Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:28:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuxClOx2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 20 6 2035 888 138 Max 36 21 7 2040 911 146 Sum 2527 1475 433 146689 64905 10239 bravais-lattice index = 14 lattice parameter (alat) = 7.0298 a.u. unit-cell volume = 1489.5389 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.029781 celldm(2)= 1.983871 celldm(3)= 2.161290 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.983871 0.000000 ) a(3) = ( 0.000000 0.000000 2.161290 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.504065 -0.000000 ) b(3) = ( 0.000000 0.000000 0.462687 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) Cu 11.00 63.54600 Cu( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.9919355 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0806452 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.9919355 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0806452 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.9919355 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0806452 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.9919355 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0806452 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0028409 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0028409 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0028409 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0028409 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0028409 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0028409 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0028409 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0028409 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0028409 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0028409 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0028409 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0028409 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0028409 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0028409 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0028409 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0028409 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0028409 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0028409 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0028409 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0028409 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0028409 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0028409 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0028409 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0028409 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0028409 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0028409 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0028409 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0028409 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0028409 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.5000000 0.0114560 -0.0000000), wk = 0.0028409 k( 47) = ( 0.5000000 0.0229120 -0.0000000), wk = 0.0028409 k( 48) = ( 0.5000000 0.0343681 -0.0000000), wk = 0.0028409 k( 49) = ( 0.5000000 0.0458241 -0.0000000), wk = 0.0028409 k( 50) = ( 0.5000000 0.0572801 -0.0000000), wk = 0.0028409 k( 51) = ( 0.5000000 0.0687361 -0.0000000), wk = 0.0028409 k( 52) = ( 0.5000000 0.0801922 -0.0000000), wk = 0.0028409 k( 53) = ( 0.5000000 0.0916482 -0.0000000), wk = 0.0028409 k( 54) = ( 0.5000000 0.1031042 -0.0000000), wk = 0.0028409 k( 55) = ( 0.5000000 0.1145602 -0.0000000), wk = 0.0028409 k( 56) = ( 0.5000000 0.1260163 -0.0000000), wk = 0.0028409 k( 57) = ( 0.5000000 0.1374723 -0.0000000), wk = 0.0028409 k( 58) = ( 0.5000000 0.1489283 -0.0000000), wk = 0.0028409 k( 59) = ( 0.5000000 0.1603843 -0.0000000), wk = 0.0028409 k( 60) = ( 0.5000000 0.1718404 -0.0000000), wk = 0.0028409 k( 61) = ( 0.5000000 0.1832964 -0.0000000), wk = 0.0028409 k( 62) = ( 0.5000000 0.1947524 -0.0000000), wk = 0.0028409 k( 63) = ( 0.5000000 0.2062084 -0.0000000), wk = 0.0028409 k( 64) = ( 0.5000000 0.2176644 -0.0000000), wk = 0.0028409 k( 65) = ( 0.5000000 0.2291205 -0.0000000), wk = 0.0028409 k( 66) = ( 0.5000000 0.2405765 -0.0000000), wk = 0.0028409 k( 67) = ( 0.5000000 0.2520325 -0.0000000), wk = 0.0028409 k( 68) = ( 0.5000000 0.2520325 -0.0000000), wk = 0.0028409 k( 69) = ( 0.4883721 0.2520325 -0.0000000), wk = 0.0028409 k( 70) = ( 0.4767442 0.2520325 -0.0000000), wk = 0.0028409 k( 71) = ( 0.4651163 0.2520325 -0.0000000), wk = 0.0028409 k( 72) = ( 0.4534884 0.2520325 -0.0000000), wk = 0.0028409 k( 73) = ( 0.4418605 0.2520325 -0.0000000), wk = 0.0028409 k( 74) = ( 0.4302326 0.2520325 -0.0000000), wk = 0.0028409 k( 75) = ( 0.4186047 0.2520325 -0.0000000), wk = 0.0028409 k( 76) = ( 0.4069767 0.2520325 -0.0000000), wk = 0.0028409 k( 77) = ( 0.3953488 0.2520325 -0.0000000), wk = 0.0028409 k( 78) = ( 0.3837209 0.2520325 -0.0000000), wk = 0.0028409 k( 79) = ( 0.3720930 0.2520325 -0.0000000), wk = 0.0028409 k( 80) = ( 0.3604651 0.2520325 -0.0000000), wk = 0.0028409 k( 81) = ( 0.3488372 0.2520325 -0.0000000), wk = 0.0028409 k( 82) = ( 0.3372093 0.2520325 -0.0000000), wk = 0.0028409 k( 83) = ( 0.3255814 0.2520325 -0.0000000), wk = 0.0028409 k( 84) = ( 0.3139535 0.2520325 -0.0000000), wk = 0.0028409 k( 85) = ( 0.3023256 0.2520325 -0.0000000), wk = 0.0028409 k( 86) = ( 0.2906977 0.2520325 -0.0000000), wk = 0.0028409 k( 87) = ( 0.2790698 0.2520325 -0.0000000), wk = 0.0028409 k( 88) = ( 0.2674419 0.2520325 -0.0000000), wk = 0.0028409 k( 89) = ( 0.2558140 0.2520325 -0.0000000), wk = 0.0028409 k( 90) = ( 0.2441860 0.2520325 -0.0000000), wk = 0.0028409 k( 91) = ( 0.2325581 0.2520325 -0.0000000), wk = 0.0028409 k( 92) = ( 0.2209302 0.2520325 -0.0000000), wk = 0.0028409 k( 93) = ( 0.2093023 0.2520325 -0.0000000), wk = 0.0028409 k( 94) = ( 0.1976744 0.2520325 -0.0000000), wk = 0.0028409 k( 95) = ( 0.1860465 0.2520325 -0.0000000), wk = 0.0028409 k( 96) = ( 0.1744186 0.2520325 -0.0000000), wk = 0.0028409 k( 97) = ( 0.1627907 0.2520325 -0.0000000), wk = 0.0028409 k( 98) = ( 0.1511628 0.2520325 -0.0000000), wk = 0.0028409 k( 99) = ( 0.1395349 0.2520325 -0.0000000), wk = 0.0028409 k( 100) = ( 0.1279070 0.2520325 -0.0000000), wk = 0.0028409 k( 101) = ( 0.1162791 0.2520325 -0.0000000), wk = 0.0028409 k( 102) = ( 0.1046512 0.2520325 -0.0000000), wk = 0.0028409 k( 103) = ( 0.0930233 0.2520325 -0.0000000), wk = 0.0028409 k( 104) = ( 0.0813954 0.2520325 -0.0000000), wk = 0.0028409 k( 105) = ( 0.0697674 0.2520325 -0.0000000), wk = 0.0028409 k( 106) = ( 0.0581395 0.2520325 -0.0000000), wk = 0.0028409 k( 107) = ( 0.0465116 0.2520325 -0.0000000), wk = 0.0028409 k( 108) = ( 0.0348837 0.2520325 -0.0000000), wk = 0.0028409 k( 109) = ( 0.0232558 0.2520325 -0.0000000), wk = 0.0028409 k( 110) = ( 0.0116279 0.2520325 -0.0000000), wk = 0.0028409 k( 111) = ( 0.0000000 0.2520325 -0.0000000), wk = 0.0028409 k( 112) = ( 0.0000000 0.2520325 -0.0000000), wk = 0.0028409 k( 113) = ( 0.0000000 0.2405765 -0.0000000), wk = 0.0028409 k( 114) = ( 0.0000000 0.2291205 -0.0000000), wk = 0.0028409 k( 115) = ( 0.0000000 0.2176644 -0.0000000), wk = 0.0028409 k( 116) = ( 0.0000000 0.2062084 -0.0000000), wk = 0.0028409 k( 117) = ( 0.0000000 0.1947524 -0.0000000), wk = 0.0028409 k( 118) = ( 0.0000000 0.1832964 -0.0000000), wk = 0.0028409 k( 119) = ( 0.0000000 0.1718404 -0.0000000), wk = 0.0028409 k( 120) = ( 0.0000000 0.1603843 -0.0000000), wk = 0.0028409 k( 121) = ( 0.0000000 0.1489283 -0.0000000), wk = 0.0028409 k( 122) = ( 0.0000000 0.1374723 -0.0000000), wk = 0.0028409 k( 123) = ( 0.0000000 0.1260163 -0.0000000), wk = 0.0028409 k( 124) = ( 0.0000000 0.1145602 -0.0000000), wk = 0.0028409 k( 125) = ( 0.0000000 0.1031042 -0.0000000), wk = 0.0028409 k( 126) = ( 0.0000000 0.0916482 -0.0000000), wk = 0.0028409 k( 127) = ( 0.0000000 0.0801922 -0.0000000), wk = 0.0028409 k( 128) = ( 0.0000000 0.0687361 -0.0000000), wk = 0.0028409 k( 129) = ( 0.0000000 0.0572801 -0.0000000), wk = 0.0028409 k( 130) = ( 0.0000000 0.0458241 -0.0000000), wk = 0.0028409 k( 131) = ( 0.0000000 0.0343681 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0000000 0.0229120 -0.0000000), wk = 0.0028409 k( 133) = ( 0.0000000 0.0114560 -0.0000000), wk = 0.0028409 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 136) = ( 0.0000000 0.0000000 0.0115672), wk = 0.0028409 k( 137) = ( 0.0000000 0.0000000 0.0231343), wk = 0.0028409 k( 138) = ( 0.0000000 0.0000000 0.0347015), wk = 0.0028409 k( 139) = ( 0.0000000 0.0000000 0.0462687), wk = 0.0028409 k( 140) = ( 0.0000000 0.0000000 0.0578358), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.0694030), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.0809701), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.0925373), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.1041045), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.1156716), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.1272388), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.1388060), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.1503731), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.1619403), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.1735075), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.1850746), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.1966418), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.2082090), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.2197761), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0028409 k( 157) = ( 0.0116279 -0.0000000 0.2313433), wk = 0.0028409 k( 158) = ( 0.0232558 -0.0000000 0.2313433), wk = 0.0028409 k( 159) = ( 0.0348837 -0.0000000 0.2313433), wk = 0.0028409 k( 160) = ( 0.0465116 -0.0000000 0.2313433), wk = 0.0028409 k( 161) = ( 0.0581395 -0.0000000 0.2313433), wk = 0.0028409 k( 162) = ( 0.0697674 -0.0000000 0.2313433), wk = 0.0028409 k( 163) = ( 0.0813954 -0.0000000 0.2313433), wk = 0.0028409 k( 164) = ( 0.0930233 -0.0000000 0.2313433), wk = 0.0028409 k( 165) = ( 0.1046512 -0.0000000 0.2313433), wk = 0.0028409 k( 166) = ( 0.1162791 -0.0000000 0.2313433), wk = 0.0028409 k( 167) = ( 0.1279070 -0.0000000 0.2313433), wk = 0.0028409 k( 168) = ( 0.1395349 -0.0000000 0.2313433), wk = 0.0028409 k( 169) = ( 0.1511628 -0.0000000 0.2313433), wk = 0.0028409 k( 170) = ( 0.1627907 -0.0000000 0.2313433), wk = 0.0028409 k( 171) = ( 0.1744186 -0.0000000 0.2313433), wk = 0.0028409 k( 172) = ( 0.1860465 -0.0000000 0.2313433), wk = 0.0028409 k( 173) = ( 0.1976744 -0.0000000 0.2313433), wk = 0.0028409 k( 174) = ( 0.2093023 -0.0000000 0.2313433), wk = 0.0028409 k( 175) = ( 0.2209302 -0.0000000 0.2313433), wk = 0.0028409 k( 176) = ( 0.2325581 -0.0000000 0.2313433), wk = 0.0028409 k( 177) = ( 0.2441860 -0.0000000 0.2313433), wk = 0.0028409 k( 178) = ( 0.2558140 -0.0000000 0.2313433), wk = 0.0028409 k( 179) = ( 0.2674419 -0.0000000 0.2313433), wk = 0.0028409 k( 180) = ( 0.2790698 -0.0000000 0.2313433), wk = 0.0028409 k( 181) = ( 0.2906977 -0.0000000 0.2313433), wk = 0.0028409 k( 182) = ( 0.3023256 -0.0000000 0.2313433), wk = 0.0028409 k( 183) = ( 0.3139535 -0.0000000 0.2313433), wk = 0.0028409 k( 184) = ( 0.3255814 -0.0000000 0.2313433), wk = 0.0028409 k( 185) = ( 0.3372093 -0.0000000 0.2313433), wk = 0.0028409 k( 186) = ( 0.3488372 -0.0000000 0.2313433), wk = 0.0028409 k( 187) = ( 0.3604651 -0.0000000 0.2313433), wk = 0.0028409 k( 188) = ( 0.3720930 -0.0000000 0.2313433), wk = 0.0028409 k( 189) = ( 0.3837209 -0.0000000 0.2313433), wk = 0.0028409 k( 190) = ( 0.3953488 -0.0000000 0.2313433), wk = 0.0028409 k( 191) = ( 0.4069767 -0.0000000 0.2313433), wk = 0.0028409 k( 192) = ( 0.4186047 -0.0000000 0.2313433), wk = 0.0028409 k( 193) = ( 0.4302326 -0.0000000 0.2313433), wk = 0.0028409 k( 194) = ( 0.4418605 -0.0000000 0.2313433), wk = 0.0028409 k( 195) = ( 0.4534884 -0.0000000 0.2313433), wk = 0.0028409 k( 196) = ( 0.4651163 -0.0000000 0.2313433), wk = 0.0028409 k( 197) = ( 0.4767442 -0.0000000 0.2313433), wk = 0.0028409 k( 198) = ( 0.4883721 -0.0000000 0.2313433), wk = 0.0028409 k( 199) = ( 0.5000000 -0.0000000 0.2313433), wk = 0.0028409 k( 200) = ( 0.5000000 -0.0000000 0.2313433), wk = 0.0028409 k( 201) = ( 0.5000000 0.0114560 0.2313433), wk = 0.0028409 k( 202) = ( 0.5000000 0.0229120 0.2313433), wk = 0.0028409 k( 203) = ( 0.5000000 0.0343681 0.2313433), wk = 0.0028409 k( 204) = ( 0.5000000 0.0458241 0.2313433), wk = 0.0028409 k( 205) = ( 0.5000000 0.0572801 0.2313433), wk = 0.0028409 k( 206) = ( 0.5000000 0.0687361 0.2313433), wk = 0.0028409 k( 207) = ( 0.5000000 0.0801922 0.2313433), wk = 0.0028409 k( 208) = ( 0.5000000 0.0916482 0.2313433), wk = 0.0028409 k( 209) = ( 0.5000000 0.1031042 0.2313433), wk = 0.0028409 k( 210) = ( 0.5000000 0.1145602 0.2313433), wk = 0.0028409 k( 211) = ( 0.5000000 0.1260163 0.2313433), wk = 0.0028409 k( 212) = ( 0.5000000 0.1374723 0.2313433), wk = 0.0028409 k( 213) = ( 0.5000000 0.1489283 0.2313433), wk = 0.0028409 k( 214) = ( 0.5000000 0.1603843 0.2313433), wk = 0.0028409 k( 215) = ( 0.5000000 0.1718404 0.2313433), wk = 0.0028409 k( 216) = ( 0.5000000 0.1832964 0.2313433), wk = 0.0028409 k( 217) = ( 0.5000000 0.1947524 0.2313433), wk = 0.0028409 k( 218) = ( 0.5000000 0.2062084 0.2313433), wk = 0.0028409 k( 219) = ( 0.5000000 0.2176644 0.2313433), wk = 0.0028409 k( 220) = ( 0.5000000 0.2291205 0.2313433), wk = 0.0028409 k( 221) = ( 0.5000000 0.2405765 0.2313433), wk = 0.0028409 k( 222) = ( 0.5000000 0.2520325 0.2313433), wk = 0.0028409 k( 223) = ( 0.5000000 0.2520325 0.2313433), wk = 0.0028409 k( 224) = ( 0.4883721 0.2520325 0.2313433), wk = 0.0028409 k( 225) = ( 0.4767442 0.2520325 0.2313433), wk = 0.0028409 k( 226) = ( 0.4651163 0.2520325 0.2313433), wk = 0.0028409 k( 227) = ( 0.4534884 0.2520325 0.2313433), wk = 0.0028409 k( 228) = ( 0.4418605 0.2520325 0.2313433), wk = 0.0028409 k( 229) = ( 0.4302326 0.2520325 0.2313433), wk = 0.0028409 k( 230) = ( 0.4186047 0.2520325 0.2313433), wk = 0.0028409 k( 231) = ( 0.4069767 0.2520325 0.2313433), wk = 0.0028409 k( 232) = ( 0.3953488 0.2520325 0.2313433), wk = 0.0028409 k( 233) = ( 0.3837209 0.2520325 0.2313433), wk = 0.0028409 k( 234) = ( 0.3720930 0.2520325 0.2313433), wk = 0.0028409 k( 235) = ( 0.3604651 0.2520325 0.2313433), wk = 0.0028409 k( 236) = ( 0.3488372 0.2520325 0.2313433), wk = 0.0028409 k( 237) = ( 0.3372093 0.2520325 0.2313433), wk = 0.0028409 k( 238) = ( 0.3255814 0.2520325 0.2313433), wk = 0.0028409 k( 239) = ( 0.3139535 0.2520325 0.2313433), wk = 0.0028409 k( 240) = ( 0.3023256 0.2520325 0.2313433), wk = 0.0028409 k( 241) = ( 0.2906977 0.2520325 0.2313433), wk = 0.0028409 k( 242) = ( 0.2790698 0.2520325 0.2313433), wk = 0.0028409 k( 243) = ( 0.2674419 0.2520325 0.2313433), wk = 0.0028409 k( 244) = ( 0.2558140 0.2520325 0.2313433), wk = 0.0028409 k( 245) = ( 0.2441860 0.2520325 0.2313433), wk = 0.0028409 k( 246) = ( 0.2325581 0.2520325 0.2313433), wk = 0.0028409 k( 247) = ( 0.2209302 0.2520325 0.2313433), wk = 0.0028409 k( 248) = ( 0.2093023 0.2520325 0.2313433), wk = 0.0028409 k( 249) = ( 0.1976744 0.2520325 0.2313433), wk = 0.0028409 k( 250) = ( 0.1860465 0.2520325 0.2313433), wk = 0.0028409 k( 251) = ( 0.1744186 0.2520325 0.2313433), wk = 0.0028409 k( 252) = ( 0.1627907 0.2520325 0.2313433), wk = 0.0028409 k( 253) = ( 0.1511628 0.2520325 0.2313433), wk = 0.0028409 k( 254) = ( 0.1395349 0.2520325 0.2313433), wk = 0.0028409 k( 255) = ( 0.1279070 0.2520325 0.2313433), wk = 0.0028409 k( 256) = ( 0.1162791 0.2520325 0.2313433), wk = 0.0028409 k( 257) = ( 0.1046512 0.2520325 0.2313433), wk = 0.0028409 k( 258) = ( 0.0930233 0.2520325 0.2313433), wk = 0.0028409 k( 259) = ( 0.0813954 0.2520325 0.2313433), wk = 0.0028409 k( 260) = ( 0.0697674 0.2520325 0.2313433), wk = 0.0028409 k( 261) = ( 0.0581395 0.2520325 0.2313433), wk = 0.0028409 k( 262) = ( 0.0465116 0.2520325 0.2313433), wk = 0.0028409 k( 263) = ( 0.0348837 0.2520325 0.2313433), wk = 0.0028409 k( 264) = ( 0.0232558 0.2520325 0.2313433), wk = 0.0028409 k( 265) = ( 0.0116279 0.2520325 0.2313433), wk = 0.0028409 k( 266) = ( 0.0000000 0.2520325 0.2313433), wk = 0.0028409 k( 267) = ( 0.0000000 0.2520325 0.2313433), wk = 0.0028409 k( 268) = ( 0.0000000 0.2405765 0.2313433), wk = 0.0028409 k( 269) = ( 0.0000000 0.2291205 0.2313433), wk = 0.0028409 k( 270) = ( 0.0000000 0.2176644 0.2313433), wk = 0.0028409 k( 271) = ( 0.0000000 0.2062084 0.2313433), wk = 0.0028409 k( 272) = ( 0.0000000 0.1947524 0.2313433), wk = 0.0028409 k( 273) = ( 0.0000000 0.1832964 0.2313433), wk = 0.0028409 k( 274) = ( 0.0000000 0.1718404 0.2313433), wk = 0.0028409 k( 275) = ( 0.0000000 0.1603843 0.2313433), wk = 0.0028409 k( 276) = ( 0.0000000 0.1489283 0.2313433), wk = 0.0028409 k( 277) = ( 0.0000000 0.1374723 0.2313433), wk = 0.0028409 k( 278) = ( 0.0000000 0.1260163 0.2313433), wk = 0.0028409 k( 279) = ( 0.0000000 0.1145602 0.2313433), wk = 0.0028409 k( 280) = ( 0.0000000 0.1031042 0.2313433), wk = 0.0028409 k( 281) = ( 0.0000000 0.0916482 0.2313433), wk = 0.0028409 k( 282) = ( 0.0000000 0.0801922 0.2313433), wk = 0.0028409 k( 283) = ( 0.0000000 0.0687361 0.2313433), wk = 0.0028409 k( 284) = ( 0.0000000 0.0572801 0.2313433), wk = 0.0028409 k( 285) = ( 0.0000000 0.0458241 0.2313433), wk = 0.0028409 k( 286) = ( 0.0000000 0.0343681 0.2313433), wk = 0.0028409 k( 287) = ( 0.0000000 0.0229120 0.2313433), wk = 0.0028409 k( 288) = ( 0.0000000 0.0114560 0.2313433), wk = 0.0028409 k( 289) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0028409 k( 290) = ( 0.0000000 0.2520325 -0.0000000), wk = 0.0028409 k( 291) = ( 0.0000000 0.2520325 0.0115672), wk = 0.0028409 k( 292) = ( 0.0000000 0.2520325 0.0231343), wk = 0.0028409 k( 293) = ( 0.0000000 0.2520325 0.0347015), wk = 0.0028409 k( 294) = ( 0.0000000 0.2520325 0.0462687), wk = 0.0028409 k( 295) = ( 0.0000000 0.2520325 0.0578358), wk = 0.0028409 k( 296) = ( 0.0000000 0.2520325 0.0694030), wk = 0.0028409 k( 297) = ( 0.0000000 0.2520325 0.0809701), wk = 0.0028409 k( 298) = ( 0.0000000 0.2520325 0.0925373), wk = 0.0028409 k( 299) = ( 0.0000000 0.2520325 0.1041045), wk = 0.0028409 k( 300) = ( 0.0000000 0.2520325 0.1156716), wk = 0.0028409 k( 301) = ( 0.0000000 0.2520325 0.1272388), wk = 0.0028409 k( 302) = ( 0.0000000 0.2520325 0.1388060), wk = 0.0028409 k( 303) = ( 0.0000000 0.2520325 0.1503731), wk = 0.0028409 k( 304) = ( 0.0000000 0.2520325 0.1619403), wk = 0.0028409 k( 305) = ( 0.0000000 0.2520325 0.1735075), wk = 0.0028409 k( 306) = ( 0.0000000 0.2520325 0.1850746), wk = 0.0028409 k( 307) = ( 0.0000000 0.2520325 0.1966418), wk = 0.0028409 k( 308) = ( 0.0000000 0.2520325 0.2082090), wk = 0.0028409 k( 309) = ( 0.0000000 0.2520325 0.2197761), wk = 0.0028409 k( 310) = ( 0.0000000 0.2520325 0.2313433), wk = 0.0028409 k( 311) = ( 0.5000000 -0.0000000 0.2313433), wk = 0.0028409 k( 312) = ( 0.5000000 -0.0000000 0.2197761), wk = 0.0028409 k( 313) = ( 0.5000000 -0.0000000 0.2082090), wk = 0.0028409 k( 314) = ( 0.5000000 -0.0000000 0.1966418), wk = 0.0028409 k( 315) = ( 0.5000000 -0.0000000 0.1850746), wk = 0.0028409 k( 316) = ( 0.5000000 -0.0000000 0.1735075), wk = 0.0028409 k( 317) = ( 0.5000000 -0.0000000 0.1619403), wk = 0.0028409 k( 318) = ( 0.5000000 -0.0000000 0.1503731), wk = 0.0028409 k( 319) = ( 0.5000000 -0.0000000 0.1388060), wk = 0.0028409 k( 320) = ( 0.5000000 -0.0000000 0.1272388), wk = 0.0028409 k( 321) = ( 0.5000000 -0.0000000 0.1156716), wk = 0.0028409 k( 322) = ( 0.5000000 -0.0000000 0.1041045), wk = 0.0028409 k( 323) = ( 0.5000000 -0.0000000 0.0925373), wk = 0.0028409 k( 324) = ( 0.5000000 -0.0000000 0.0809701), wk = 0.0028409 k( 325) = ( 0.5000000 -0.0000000 0.0694030), wk = 0.0028409 k( 326) = ( 0.5000000 -0.0000000 0.0578358), wk = 0.0028409 k( 327) = ( 0.5000000 -0.0000000 0.0462687), wk = 0.0028409 k( 328) = ( 0.5000000 -0.0000000 0.0347015), wk = 0.0028409 k( 329) = ( 0.5000000 -0.0000000 0.0231343), wk = 0.0028409 k( 330) = ( 0.5000000 -0.0000000 0.0115672), wk = 0.0028409 k( 331) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 332) = ( 0.5000000 0.2520325 -0.0000000), wk = 0.0028409 k( 333) = ( 0.5000000 0.2520325 0.0115672), wk = 0.0028409 k( 334) = ( 0.5000000 0.2520325 0.0231343), wk = 0.0028409 k( 335) = ( 0.5000000 0.2520325 0.0347015), wk = 0.0028409 k( 336) = ( 0.5000000 0.2520325 0.0462687), wk = 0.0028409 k( 337) = ( 0.5000000 0.2520325 0.0578358), wk = 0.0028409 k( 338) = ( 0.5000000 0.2520325 0.0694030), wk = 0.0028409 k( 339) = ( 0.5000000 0.2520325 0.0809701), wk = 0.0028409 k( 340) = ( 0.5000000 0.2520325 0.0925373), wk = 0.0028409 k( 341) = ( 0.5000000 0.2520325 0.1041045), wk = 0.0028409 k( 342) = ( 0.5000000 0.2520325 0.1156716), wk = 0.0028409 k( 343) = ( 0.5000000 0.2520325 0.1272388), wk = 0.0028409 k( 344) = ( 0.5000000 0.2520325 0.1388060), wk = 0.0028409 k( 345) = ( 0.5000000 0.2520325 0.1503731), wk = 0.0028409 k( 346) = ( 0.5000000 0.2520325 0.1619403), wk = 0.0028409 k( 347) = ( 0.5000000 0.2520325 0.1735075), wk = 0.0028409 k( 348) = ( 0.5000000 0.2520325 0.1850746), wk = 0.0028409 k( 349) = ( 0.5000000 0.2520325 0.1966418), wk = 0.0028409 k( 350) = ( 0.5000000 0.2520325 0.2082090), wk = 0.0028409 k( 351) = ( 0.5000000 0.2520325 0.2197761), wk = 0.0028409 k( 352) = ( 0.5000000 0.2520325 0.2313433), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0028409 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0028409 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0028409 k( 6) = ( 0.0581395 -0.0000000 0.0000000), wk = 0.0028409 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0028409 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0028409 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0028409 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0028409 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0028409 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0028409 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0028409 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0028409 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0028409 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0028409 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0028409 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0028409 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0028409 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0028409 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0028409 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0028409 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0028409 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0028409 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0028409 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0028409 k( 28) = ( 0.3139535 -0.0000000 0.0000000), wk = 0.0028409 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0028409 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0028409 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0028409 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0028409 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0028409 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0028409 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0028409 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0028409 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0028409 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0028409 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0028409 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0028409 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0028409 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 46) = ( 0.5000000 0.0227273 -0.0000000), wk = 0.0028409 k( 47) = ( 0.5000000 0.0454546 -0.0000000), wk = 0.0028409 k( 48) = ( 0.5000000 0.0681818 -0.0000000), wk = 0.0028409 k( 49) = ( 0.5000000 0.0909091 -0.0000000), wk = 0.0028409 k( 50) = ( 0.5000000 0.1136364 -0.0000000), wk = 0.0028409 k( 51) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0028409 k( 52) = ( 0.5000000 0.1590909 -0.0000000), wk = 0.0028409 k( 53) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0028409 k( 54) = ( 0.5000000 0.2045455 -0.0000000), wk = 0.0028409 k( 55) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0028409 k( 56) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0028409 k( 57) = ( 0.5000000 0.2727273 -0.0000000), wk = 0.0028409 k( 58) = ( 0.5000000 0.2954546 -0.0000000), wk = 0.0028409 k( 59) = ( 0.5000000 0.3181818 -0.0000000), wk = 0.0028409 k( 60) = ( 0.5000000 0.3409091 0.0000000), wk = 0.0028409 k( 61) = ( 0.5000000 0.3636364 -0.0000000), wk = 0.0028409 k( 62) = ( 0.5000000 0.3863636 -0.0000000), wk = 0.0028409 k( 63) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0028409 k( 64) = ( 0.5000000 0.4318182 -0.0000000), wk = 0.0028409 k( 65) = ( 0.5000000 0.4545455 -0.0000000), wk = 0.0028409 k( 66) = ( 0.5000000 0.4772727 -0.0000000), wk = 0.0028409 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 69) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028409 k( 70) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028409 k( 71) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028409 k( 72) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028409 k( 73) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028409 k( 74) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028409 k( 75) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028409 k( 76) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028409 k( 77) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0028409 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0028409 k( 79) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0028409 k( 80) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028409 k( 81) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028409 k( 82) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028409 k( 83) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028409 k( 84) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028409 k( 85) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028409 k( 86) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028409 k( 87) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028409 k( 88) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0028409 k( 89) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0028409 k( 90) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0028409 k( 91) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0028409 k( 92) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0028409 k( 93) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0028409 k( 94) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0028409 k( 95) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0028409 k( 96) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0028409 k( 97) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0028409 k( 98) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028409 k( 99) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0028409 k( 100) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0028409 k( 101) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028409 k( 102) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028409 k( 103) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028409 k( 104) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0028409 k( 105) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0028409 k( 106) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0028409 k( 107) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0028409 k( 108) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028409 k( 109) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028409 k( 110) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0028409 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 112) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 113) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0028409 k( 114) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0028409 k( 115) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0028409 k( 116) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0028409 k( 117) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0028409 k( 118) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0028409 k( 119) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0028409 k( 120) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0028409 k( 121) = ( 0.0000000 0.2954546 0.0000000), wk = 0.0028409 k( 122) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0028409 k( 123) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0028409 k( 124) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0028409 k( 125) = ( 0.0000000 0.2045455 -0.0000000), wk = 0.0028409 k( 126) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0028409 k( 127) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0028409 k( 128) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0028409 k( 129) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0028409 k( 130) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0028409 k( 131) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0028409 k( 132) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0028409 k( 133) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0028409 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 136) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028409 k( 137) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028409 k( 138) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028409 k( 139) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028409 k( 140) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028409 k( 141) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028409 k( 142) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028409 k( 143) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028409 k( 144) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028409 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028409 k( 146) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028409 k( 147) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028409 k( 148) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028409 k( 149) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028409 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028409 k( 151) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028409 k( 152) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028409 k( 153) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028409 k( 154) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028409 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 157) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0028409 k( 158) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0028409 k( 159) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0028409 k( 160) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0028409 k( 161) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0028409 k( 162) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0028409 k( 163) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0028409 k( 164) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0028409 k( 165) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0028409 k( 166) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0028409 k( 167) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0028409 k( 168) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0028409 k( 169) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0028409 k( 170) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0028409 k( 171) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0028409 k( 172) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0028409 k( 173) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0028409 k( 174) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0028409 k( 175) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0028409 k( 176) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0028409 k( 177) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0028409 k( 178) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0028409 k( 179) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0028409 k( 180) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0028409 k( 181) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0028409 k( 182) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0028409 k( 183) = ( 0.3139535 -0.0000000 0.5000000), wk = 0.0028409 k( 184) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0028409 k( 185) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0028409 k( 186) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0028409 k( 187) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0028409 k( 188) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0028409 k( 189) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0028409 k( 190) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0028409 k( 191) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0028409 k( 192) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0028409 k( 193) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0028409 k( 194) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0028409 k( 195) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0028409 k( 196) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0028409 k( 197) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0028409 k( 198) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0028409 k( 199) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028409 k( 200) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028409 k( 201) = ( 0.5000000 0.0227273 0.5000000), wk = 0.0028409 k( 202) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0028409 k( 203) = ( 0.5000000 0.0681818 0.5000000), wk = 0.0028409 k( 204) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0028409 k( 205) = ( 0.5000000 0.1136364 0.5000000), wk = 0.0028409 k( 206) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0028409 k( 207) = ( 0.5000000 0.1590909 0.5000000), wk = 0.0028409 k( 208) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0028409 k( 209) = ( 0.5000000 0.2045455 0.5000000), wk = 0.0028409 k( 210) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0028409 k( 211) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028409 k( 212) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0028409 k( 213) = ( 0.5000000 0.2954546 0.5000000), wk = 0.0028409 k( 214) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0028409 k( 215) = ( 0.5000000 0.3409091 0.5000000), wk = 0.0028409 k( 216) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0028409 k( 217) = ( 0.5000000 0.3863636 0.5000000), wk = 0.0028409 k( 218) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0028409 k( 219) = ( 0.5000000 0.4318182 0.5000000), wk = 0.0028409 k( 220) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0028409 k( 221) = ( 0.5000000 0.4772727 0.5000000), wk = 0.0028409 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 224) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0028409 k( 225) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0028409 k( 226) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0028409 k( 227) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0028409 k( 228) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0028409 k( 229) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0028409 k( 230) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0028409 k( 231) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0028409 k( 232) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0028409 k( 233) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0028409 k( 234) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0028409 k( 235) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0028409 k( 236) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0028409 k( 237) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0028409 k( 238) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0028409 k( 239) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0028409 k( 240) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0028409 k( 241) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0028409 k( 242) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0028409 k( 243) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0028409 k( 244) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0028409 k( 245) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0028409 k( 246) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0028409 k( 247) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0028409 k( 248) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0028409 k( 249) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0028409 k( 250) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0028409 k( 251) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0028409 k( 252) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0028409 k( 253) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0028409 k( 254) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0028409 k( 255) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0028409 k( 256) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0028409 k( 257) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0028409 k( 258) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0028409 k( 259) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0028409 k( 260) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0028409 k( 261) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0028409 k( 262) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0028409 k( 263) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0028409 k( 264) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0028409 k( 265) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0028409 k( 266) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 267) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 268) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0028409 k( 269) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0028409 k( 270) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0028409 k( 271) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0028409 k( 272) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0028409 k( 273) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0028409 k( 274) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0028409 k( 275) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0028409 k( 276) = ( 0.0000000 0.2954546 0.5000000), wk = 0.0028409 k( 277) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0028409 k( 278) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028409 k( 279) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0028409 k( 280) = ( 0.0000000 0.2045455 0.5000000), wk = 0.0028409 k( 281) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0028409 k( 282) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0028409 k( 283) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0028409 k( 284) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0028409 k( 285) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0028409 k( 286) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0028409 k( 287) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0028409 k( 288) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0028409 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 290) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028409 k( 291) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0028409 k( 292) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028409 k( 293) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0028409 k( 294) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028409 k( 295) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028409 k( 296) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028409 k( 297) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0028409 k( 298) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028409 k( 299) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0028409 k( 300) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028409 k( 301) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0028409 k( 302) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028409 k( 303) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0028409 k( 304) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028409 k( 305) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028409 k( 306) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028409 k( 307) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0028409 k( 308) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028409 k( 309) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0028409 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028409 k( 311) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0028409 k( 312) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0028409 k( 313) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0028409 k( 314) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0028409 k( 315) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0028409 k( 316) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0028409 k( 317) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0028409 k( 318) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0028409 k( 319) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0028409 k( 320) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0028409 k( 321) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0028409 k( 322) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0028409 k( 323) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0028409 k( 324) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0028409 k( 325) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0028409 k( 326) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0028409 k( 327) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0028409 k( 328) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0028409 k( 329) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0028409 k( 330) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0028409 k( 331) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028409 k( 332) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028409 k( 333) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0028409 k( 334) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0028409 k( 335) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0028409 k( 336) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028409 k( 337) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028409 k( 338) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0028409 k( 339) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0028409 k( 340) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028409 k( 341) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0028409 k( 342) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028409 k( 343) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0028409 k( 344) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028409 k( 345) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0028409 k( 346) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0028409 k( 347) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028409 k( 348) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028409 k( 349) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0028409 k( 350) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0028409 k( 351) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0028409 k( 352) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 Dense grid: 146689 G-vectors FFT dimensions: ( 45, 80, 90) Smooth grid: 64905 G-vectors FFT dimensions: ( 32, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 248, 88) NL pseudopotentials 0.49 Mb ( 124, 260) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2037) G-vector shells 0.01 Mb ( 1036) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.33 Mb ( 248, 352) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.70 Mb ( 260, 2, 88) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuxClOx2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.2 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.0 secs Computing kpt #: 12 total cpu time spent up to now is 18.4 secs Computing kpt #: 13 total cpu time spent up to now is 19.7 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.7 secs Computing kpt #: 17 total cpu time spent up to now is 25.0 secs Computing kpt #: 18 total cpu time spent up to now is 26.3 secs Computing kpt #: 19 total cpu time spent up to now is 27.6 secs Computing kpt #: 20 total cpu time spent up to now is 29.0 secs Computing kpt #: 21 total cpu time spent up to now is 30.3 secs Computing kpt #: 22 total cpu time spent up to now is 31.7 secs Computing kpt #: 23 total cpu time spent up to now is 33.0 secs Computing kpt #: 24 total cpu time spent up to now is 34.4 secs Computing kpt #: 25 total cpu time spent up to now is 35.7 secs Computing kpt #: 26 total cpu time spent up to now is 37.1 secs Computing kpt #: 27 total cpu time spent up to now is 38.5 secs Computing kpt #: 28 total cpu time spent up to now is 39.9 secs Computing kpt #: 29 total cpu time spent up to now is 41.2 secs Computing kpt #: 30 total cpu time spent up to now is 42.5 secs Computing kpt #: 31 total cpu time spent up to now is 43.7 secs Computing kpt #: 32 total cpu time spent up to now is 45.1 secs Computing kpt #: 33 total cpu time spent up to now is 46.4 secs Computing kpt #: 34 total cpu time spent up to now is 47.8 secs Computing kpt #: 35 total cpu time spent up to now is 49.2 secs Computing kpt #: 36 total cpu time spent up to now is 50.6 secs Computing kpt #: 37 total cpu time spent up to now is 51.9 secs Computing kpt #: 38 total cpu time spent up to now is 53.2 secs Computing kpt #: 39 total cpu time spent up to now is 54.6 secs Computing kpt #: 40 total cpu time spent up to now is 56.0 secs Computing kpt #: 41 total cpu time spent up to now is 57.3 secs Computing kpt #: 42 total cpu time spent up to now is 58.6 secs Computing kpt #: 43 total cpu time spent up to now is 60.0 secs Computing kpt #: 44 total cpu time spent up to now is 61.4 secs Computing kpt #: 45 total cpu time spent up to now is 62.7 secs Computing kpt #: 46 total cpu time spent up to now is 64.1 secs Computing kpt #: 47 total cpu time spent up to now is 65.5 secs Computing kpt #: 48 total cpu time spent up to now is 66.8 secs Computing kpt #: 49 total cpu time spent up to now is 68.2 secs Computing kpt #: 50 total cpu time spent up to now is 69.7 secs Computing kpt #: 51 total cpu time spent up to now is 71.1 secs Computing kpt #: 52 total cpu time spent up to now is 72.5 secs Computing kpt #: 53 total cpu time spent up to now is 74.0 secs Computing kpt #: 54 total cpu time spent up to now is 75.4 secs Computing kpt #: 55 total cpu time spent up to now is 76.8 secs Computing kpt #: 56 total cpu time spent up to now is 78.2 secs Computing kpt #: 57 total cpu time spent up to now is 79.6 secs Computing kpt #: 58 total cpu time spent up to now is 81.0 secs Computing kpt #: 59 total cpu time spent up to now is 82.3 secs Computing kpt #: 60 total cpu time spent up to now is 83.7 secs Computing kpt #: 61 total cpu time spent up to now is 85.2 secs Computing kpt #: 62 total cpu time spent up to now is 86.5 secs Computing kpt #: 63 total cpu time spent up to now is 88.0 secs Computing kpt #: 64 total cpu time spent up to now is 89.4 secs Computing kpt #: 65 total cpu time spent up to now is 90.7 secs Computing kpt #: 66 total cpu time spent up to now is 92.2 secs Computing kpt #: 67 total cpu time spent up to now is 93.6 secs Computing kpt #: 68 total cpu time spent up to now is 94.9 secs Computing kpt #: 69 total cpu time spent up to now is 96.2 secs Computing kpt #: 70 total cpu time spent up to now is 97.6 secs Computing kpt #: 71 total cpu time spent up to now is 99.0 secs Computing kpt #: 72 total cpu time spent up to now is 100.5 secs Computing kpt #: 73 total cpu time spent up to now is 101.8 secs Computing kpt #: 74 total cpu time spent up to now is 103.2 secs Computing kpt #: 75 total cpu time spent up to now is 104.6 secs Computing kpt #: 76 total cpu time spent up to now is 105.9 secs Computing kpt #: 77 total cpu time spent up to now is 107.4 secs Computing kpt #: 78 total cpu time spent up to now is 108.7 secs Computing kpt #: 79 total cpu time spent up to now is 110.2 secs Computing kpt #: 80 total cpu time spent up to now is 111.5 secs Computing kpt #: 81 total cpu time spent up to now is 112.9 secs Computing kpt #: 82 total cpu time spent up to now is 114.3 secs Computing kpt #: 83 total cpu time spent up to now is 115.6 secs Computing kpt #: 84 total cpu time spent up to now is 117.1 secs Computing kpt #: 85 total cpu time spent up to now is 118.4 secs Computing kpt #: 86 total cpu time spent up to now is 119.8 secs Computing kpt #: 87 total cpu time spent up to now is 121.1 secs Computing kpt #: 88 total cpu time spent up to now is 122.4 secs Computing kpt #: 89 total cpu time spent up to now is 123.9 secs Computing kpt #: 90 total cpu time spent up to now is 125.2 secs Computing kpt #: 91 total cpu time spent up to now is 126.6 secs Computing kpt #: 92 total cpu time spent up to now is 127.9 secs Computing kpt #: 93 total cpu time spent up to now is 129.2 secs Computing kpt #: 94 total cpu time spent up to now is 130.6 secs Computing kpt #: 95 total cpu time spent up to now is 132.1 secs Computing kpt #: 96 total cpu time spent up to now is 133.5 secs Computing kpt #: 97 total cpu time spent up to now is 134.8 secs Computing kpt #: 98 total cpu time spent up to now is 136.1 secs Computing kpt #: 99 total cpu time spent up to now is 137.5 secs Computing kpt #: 100 total cpu time spent up to now is 138.9 secs Computing kpt #: 101 total cpu time spent up to now is 140.3 secs Computing kpt #: 102 total cpu time spent up to now is 141.7 secs Computing kpt #: 103 total cpu time spent up to now is 143.1 secs Computing kpt #: 104 total cpu time spent up to now is 144.4 secs Computing kpt #: 105 total cpu time spent up to now is 145.9 secs Computing kpt #: 106 total cpu time spent up to now is 147.2 secs Computing kpt #: 107 total cpu time spent up to now is 148.5 secs Computing kpt #: 108 total cpu time spent up to now is 149.9 secs Computing kpt #: 109 total cpu time spent up to now is 151.3 secs Computing kpt #: 110 total cpu time spent up to now is 152.6 secs Computing kpt #: 111 total cpu time spent up to now is 153.8 secs Computing kpt #: 112 total cpu time spent up to now is 155.1 secs Computing kpt #: 113 total cpu time spent up to now is 156.3 secs Computing kpt #: 114 total cpu time spent up to now is 157.6 secs Computing kpt #: 115 total cpu time spent up to now is 158.9 secs Computing kpt #: 116 total cpu time spent up to now is 160.1 secs Computing kpt #: 117 total cpu time spent up to now is 161.4 secs Computing kpt #: 118 total cpu time spent up to now is 162.7 secs Computing kpt #: 119 total cpu time spent up to now is 164.0 secs Computing kpt #: 120 total cpu time spent up to now is 165.3 secs Computing kpt #: 121 total cpu time spent up to now is 166.7 secs Computing kpt #: 122 total cpu time spent up to now is 168.0 secs Computing kpt #: 123 total cpu time spent up to now is 169.3 secs Computing kpt #: 124 total cpu time spent up to now is 170.6 secs Computing kpt #: 125 total cpu time spent up to now is 172.0 secs Computing kpt #: 126 total cpu time spent up to now is 173.4 secs Computing kpt #: 127 total cpu time spent up to now is 174.6 secs Computing kpt #: 128 total cpu time spent up to now is 176.0 secs Computing kpt #: 129 total cpu time spent up to now is 177.3 secs Computing kpt #: 130 total cpu time spent up to now is 178.6 secs Computing kpt #: 131 total cpu time spent up to now is 179.9 secs Computing kpt #: 132 total cpu time spent up to now is 181.3 secs Computing kpt #: 133 total cpu time spent up to now is 182.5 secs Computing kpt #: 134 total cpu time spent up to now is 183.8 secs Computing kpt #: 135 total cpu time spent up to now is 185.1 secs Computing kpt #: 136 total cpu time spent up to now is 186.4 secs Computing kpt #: 137 total cpu time spent up to now is 187.8 secs Computing kpt #: 138 total cpu time spent up to now is 189.1 secs Computing kpt #: 139 total cpu time spent up to now is 190.4 secs Computing kpt #: 140 total cpu time spent up to now is 191.7 secs Computing kpt #: 141 total cpu time spent up to now is 192.9 secs Computing kpt #: 142 total cpu time spent up to now is 194.2 secs Computing kpt #: 143 total cpu time spent up to now is 195.5 secs Computing kpt #: 144 total cpu time spent up to now is 196.8 secs Computing kpt #: 145 total cpu time spent up to now is 198.2 secs Computing kpt #: 146 total cpu time spent up to now is 199.4 secs Computing kpt #: 147 total cpu time spent up to now is 200.7 secs Computing kpt #: 148 total cpu time spent up to now is 202.0 secs Computing kpt #: 149 total cpu time spent up to now is 203.3 secs Computing kpt #: 150 total cpu time spent up to now is 204.7 secs Computing kpt #: 151 total cpu time spent up to now is 206.0 secs Computing kpt #: 152 total cpu time spent up to now is 207.2 secs Computing kpt #: 153 total cpu time spent up to now is 208.4 secs Computing kpt #: 154 total cpu time spent up to now is 209.6 secs Computing kpt #: 155 total cpu time spent up to now is 211.0 secs Computing kpt #: 156 total cpu time spent up to now is 212.3 secs Computing kpt #: 157 total cpu time spent up to now is 213.6 secs Computing kpt #: 158 total cpu time spent up to now is 215.0 secs Computing kpt #: 159 total cpu time spent up to now is 216.3 secs Computing kpt #: 160 total cpu time spent up to now is 217.5 secs Computing kpt #: 161 total cpu time spent up to now is 218.8 secs Computing kpt #: 162 total cpu time spent up to now is 220.1 secs Computing kpt #: 163 total cpu time spent up to now is 221.4 secs Computing kpt #: 164 total cpu time spent up to now is 222.7 secs Computing kpt #: 165 total cpu time spent up to now is 223.9 secs Computing kpt #: 166 total cpu time spent up to now is 225.1 secs Computing kpt #: 167 total cpu time spent up to now is 226.4 secs Computing kpt #: 168 total cpu time spent up to now is 227.7 secs Computing kpt #: 169 total cpu time spent up to now is 229.0 secs Computing kpt #: 170 total cpu time spent up to now is 230.4 secs Computing kpt #: 171 total cpu time spent up to now is 231.7 secs Computing kpt #: 172 total cpu time spent up to now is 233.0 secs Computing kpt #: 173 total cpu time spent up to now is 234.2 secs Computing kpt #: 174 total cpu time spent up to now is 235.6 secs Computing kpt #: 175 total cpu time spent up to now is 236.9 secs Computing kpt #: 176 total cpu time spent up to now is 238.2 secs Computing kpt #: 177 total cpu time spent up to now is 239.5 secs Computing kpt #: 178 total cpu time spent up to now is 240.8 secs Computing kpt #: 179 total cpu time spent up to now is 242.2 secs Computing kpt #: 180 total cpu time spent up to now is 243.5 secs Computing kpt #: 181 total cpu time spent up to now is 244.7 secs Computing kpt #: 182 total cpu time spent up to now is 246.1 secs Computing kpt #: 183 total cpu time spent up to now is 247.4 secs Computing kpt #: 184 total cpu time spent up to now is 248.8 secs Computing kpt #: 185 total cpu time spent up to now is 250.1 secs Computing kpt #: 186 total cpu time spent up to now is 251.6 secs Computing kpt #: 187 total cpu time spent up to now is 253.1 secs Computing kpt #: 188 total cpu time spent up to now is 254.6 secs Computing kpt #: 189 total cpu time spent up to now is 256.0 secs Computing kpt #: 190 total cpu time spent up to now is 257.4 secs Computing kpt #: 191 total cpu time spent up to now is 258.8 secs Computing kpt #: 192 total cpu time spent up to now is 260.2 secs Computing kpt #: 193 total cpu time spent up to now is 261.8 secs Computing kpt #: 194 total cpu time spent up to now is 263.4 secs Computing kpt #: 195 total cpu time spent up to now is 264.8 secs Computing kpt #: 196 total cpu time spent up to now is 266.3 secs Computing kpt #: 197 total cpu time spent up to now is 267.6 secs Computing kpt #: 198 total cpu time spent up to now is 269.0 secs Computing kpt #: 199 total cpu time spent up to now is 270.3 secs Computing kpt #: 200 total cpu time spent up to now is 271.7 secs Computing kpt #: 201 total cpu time spent up to now is 273.1 secs Computing kpt #: 202 total cpu time spent up to now is 274.5 secs Computing kpt #: 203 total cpu time spent up to now is 275.9 secs Computing kpt #: 204 total cpu time spent up to now is 277.3 secs Computing kpt #: 205 total cpu time spent up to now is 278.6 secs Computing kpt #: 206 total cpu time spent up to now is 280.0 secs Computing kpt #: 207 total cpu time spent up to now is 281.4 secs Computing kpt #: 208 total cpu time spent up to now is 282.8 secs Computing kpt #: 209 total cpu time spent up to now is 284.2 secs Computing kpt #: 210 total cpu time spent up to now is 285.6 secs Computing kpt #: 211 total cpu time spent up to now is 287.0 secs Computing kpt #: 212 total cpu time spent up to now is 288.4 secs Computing kpt #: 213 total cpu time spent up to now is 289.7 secs Computing kpt #: 214 total cpu time spent up to now is 291.2 secs Computing kpt #: 215 total cpu time spent up to now is 292.5 secs Computing kpt #: 216 total cpu time spent up to now is 294.0 secs Computing kpt #: 217 total cpu time spent up to now is 295.3 secs Computing kpt #: 218 total cpu time spent up to now is 296.7 secs Computing kpt #: 219 total cpu time spent up to now is 298.1 secs Computing kpt #: 220 total cpu time spent up to now is 299.4 secs Computing kpt #: 221 total cpu time spent up to now is 300.8 secs Computing kpt #: 222 total cpu time spent up to now is 302.1 secs Computing kpt #: 223 total cpu time spent up to now is 303.5 secs Computing kpt #: 224 total cpu time spent up to now is 304.7 secs Computing kpt #: 225 total cpu time spent up to now is 306.1 secs Computing kpt #: 226 total cpu time spent up to now is 307.5 secs Computing kpt #: 227 total cpu time spent up to now is 308.8 secs Computing kpt #: 228 total cpu time spent up to now is 310.2 secs Computing kpt #: 229 total cpu time spent up to now is 311.5 secs Computing kpt #: 230 total cpu time spent up to now is 312.9 secs Computing kpt #: 231 total cpu time spent up to now is 314.2 secs Computing kpt #: 232 total cpu time spent up to now is 315.6 secs Computing kpt #: 233 total cpu time spent up to now is 317.0 secs Computing kpt #: 234 total cpu time spent up to now is 318.4 secs Computing kpt #: 235 total cpu time spent up to now is 320.7 secs Computing kpt #: 236 total cpu time spent up to now is 322.0 secs Computing kpt #: 237 total cpu time spent up to now is 323.4 secs Computing kpt #: 238 total cpu time spent up to now is 324.8 secs Computing kpt #: 239 total cpu time spent up to now is 326.2 secs Computing kpt #: 240 total cpu time spent up to now is 327.6 secs Computing kpt #: 241 total cpu time spent up to now is 329.0 secs Computing kpt #: 242 total cpu time spent up to now is 330.3 secs Computing kpt #: 243 total cpu time spent up to now is 331.7 secs Computing kpt #: 244 total cpu time spent up to now is 333.0 secs Computing kpt #: 245 total cpu time spent up to now is 334.4 secs Computing kpt #: 246 total cpu time spent up to now is 335.7 secs Computing kpt #: 247 total cpu time spent up to now is 337.0 secs Computing kpt #: 248 total cpu time spent up to now is 338.5 secs Computing kpt #: 249 total cpu time spent up to now is 339.8 secs Computing kpt #: 250 total cpu time spent up to now is 341.1 secs Computing kpt #: 251 total cpu time spent up to now is 342.4 secs Computing kpt #: 252 total cpu time spent up to now is 343.8 secs Computing kpt #: 253 total cpu time spent up to now is 345.1 secs Computing kpt #: 254 total cpu time spent up to now is 346.4 secs Computing kpt #: 255 total cpu time spent up to now is 347.8 secs Computing kpt #: 256 total cpu time spent up to now is 349.1 secs Computing kpt #: 257 total cpu time spent up to now is 350.5 secs Computing kpt #: 258 total cpu time spent up to now is 351.8 secs Computing kpt #: 259 total cpu time spent up to now is 353.1 secs Computing kpt #: 260 total cpu time spent up to now is 354.3 secs Computing kpt #: 261 total cpu time spent up to now is 355.6 secs Computing kpt #: 262 total cpu time spent up to now is 356.9 secs Computing kpt #: 263 total cpu time spent up to now is 358.2 secs Computing kpt #: 264 total cpu time spent up to now is 359.5 secs Computing kpt #: 265 total cpu time spent up to now is 360.8 secs Computing kpt #: 266 total cpu time spent up to now is 362.0 secs Computing kpt #: 267 total cpu time spent up to now is 363.3 secs Computing kpt #: 268 total cpu time spent up to now is 364.6 secs Computing kpt #: 269 total cpu time spent up to now is 365.7 secs Computing kpt #: 270 total cpu time spent up to now is 366.8 secs Computing kpt #: 271 total cpu time spent up to now is 368.0 secs Computing kpt #: 272 total cpu time spent up to now is 369.0 secs Computing kpt #: 273 total cpu time spent up to now is 370.2 secs Computing kpt #: 274 total cpu time spent up to now is 371.3 secs Computing kpt #: 275 total cpu time spent up to now is 372.4 secs Computing kpt #: 276 total cpu time spent up to now is 373.7 secs Computing kpt #: 277 total cpu time spent up to now is 375.1 secs Computing kpt #: 278 total cpu time spent up to now is 376.4 secs Computing kpt #: 279 total cpu time spent up to now is 377.7 secs Computing kpt #: 280 total cpu time spent up to now is 379.0 secs Computing kpt #: 281 total cpu time spent up to now is 380.2 secs Computing kpt #: 282 total cpu time spent up to now is 381.5 secs Computing kpt #: 283 total cpu time spent up to now is 382.8 secs Computing kpt #: 284 total cpu time spent up to now is 384.1 secs Computing kpt #: 285 total cpu time spent up to now is 385.3 secs Computing kpt #: 286 total cpu time spent up to now is 386.6 secs Computing kpt #: 287 total cpu time spent up to now is 388.0 secs Computing kpt #: 288 total cpu time spent up to now is 389.4 secs Computing kpt #: 289 total cpu time spent up to now is 390.7 secs Computing kpt #: 290 total cpu time spent up to now is 392.0 secs Computing kpt #: 291 total cpu time spent up to now is 393.3 secs Computing kpt #: 292 total cpu time spent up to now is 394.6 secs Computing kpt #: 293 total cpu time spent up to now is 395.8 secs Computing kpt #: 294 total cpu time spent up to now is 397.2 secs Computing kpt #: 295 total cpu time spent up to now is 398.4 secs Computing kpt #: 296 total cpu time spent up to now is 399.7 secs Computing kpt #: 297 total cpu time spent up to now is 401.0 secs Computing kpt #: 298 total cpu time spent up to now is 402.3 secs Computing kpt #: 299 total cpu time spent up to now is 403.6 secs Computing kpt #: 300 total cpu time spent up to now is 405.3 secs Computing kpt #: 301 total cpu time spent up to now is 406.6 secs Computing kpt #: 302 total cpu time spent up to now is 407.9 secs Computing kpt #: 303 total cpu time spent up to now is 409.1 secs Computing kpt #: 304 total cpu time spent up to now is 410.5 secs Computing kpt #: 305 total cpu time spent up to now is 411.8 secs Computing kpt #: 306 total cpu time spent up to now is 412.9 secs Computing kpt #: 307 total cpu time spent up to now is 414.2 secs Computing kpt #: 308 total cpu time spent up to now is 415.4 secs Computing kpt #: 309 total cpu time spent up to now is 416.7 secs Computing kpt #: 310 total cpu time spent up to now is 417.9 secs Computing kpt #: 311 total cpu time spent up to now is 419.2 secs Computing kpt #: 312 total cpu time spent up to now is 420.6 secs Computing kpt #: 313 total cpu time spent up to now is 422.0 secs Computing kpt #: 314 total cpu time spent up to now is 423.4 secs Computing kpt #: 315 total cpu time spent up to now is 424.8 secs Computing kpt #: 316 total cpu time spent up to now is 426.2 secs Computing kpt #: 317 total cpu time spent up to now is 427.6 secs Computing kpt #: 318 total cpu time spent up to now is 429.0 secs Computing kpt #: 319 total cpu time spent up to now is 430.4 secs Computing kpt #: 320 total cpu time spent up to now is 431.8 secs Computing kpt #: 321 total cpu time spent up to now is 433.3 secs Computing kpt #: 322 total cpu time spent up to now is 434.7 secs Computing kpt #: 323 total cpu time spent up to now is 436.2 secs Computing kpt #: 324 total cpu time spent up to now is 437.5 secs Computing kpt #: 325 total cpu time spent up to now is 439.0 secs Computing kpt #: 326 total cpu time spent up to now is 440.4 secs Computing kpt #: 327 total cpu time spent up to now is 441.7 secs Computing kpt #: 328 total cpu time spent up to now is 443.2 secs Computing kpt #: 329 total cpu time spent up to now is 444.5 secs Computing kpt #: 330 total cpu time spent up to now is 445.9 secs Computing kpt #: 331 total cpu time spent up to now is 447.3 secs Computing kpt #: 332 total cpu time spent up to now is 448.7 secs Computing kpt #: 333 total cpu time spent up to now is 450.3 secs Computing kpt #: 334 total cpu time spent up to now is 451.7 secs Computing kpt #: 335 total cpu time spent up to now is 453.1 secs Computing kpt #: 336 total cpu time spent up to now is 454.5 secs Computing kpt #: 337 total cpu time spent up to now is 455.9 secs Computing kpt #: 338 total cpu time spent up to now is 457.3 secs Computing kpt #: 339 total cpu time spent up to now is 458.8 secs Computing kpt #: 340 total cpu time spent up to now is 460.1 secs Computing kpt #: 341 total cpu time spent up to now is 461.5 secs Computing kpt #: 342 total cpu time spent up to now is 462.9 secs Computing kpt #: 343 total cpu time spent up to now is 464.3 secs Computing kpt #: 344 total cpu time spent up to now is 465.6 secs Computing kpt #: 345 total cpu time spent up to now is 467.0 secs Computing kpt #: 346 total cpu time spent up to now is 468.5 secs Computing kpt #: 347 total cpu time spent up to now is 469.9 secs Computing kpt #: 348 total cpu time spent up to now is 471.4 secs Computing kpt #: 349 total cpu time spent up to now is 472.8 secs Computing kpt #: 350 total cpu time spent up to now is 474.3 secs Computing kpt #: 351 total cpu time spent up to now is 475.7 secs Computing kpt #: 352 total cpu time spent up to now is 477.0 secs ethr = 1.35E-08, avg # of iterations = 16.9 total cpu time spent up to now is 477.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8113 PWs) bands (ev): -15.9293 -15.9293 -15.8040 -15.8040 -15.7214 -15.7214 -15.6717 -15.6717 -13.7321 -13.7321 -13.6476 -13.6476 -13.5758 -13.5758 -13.5042 -13.5042 -4.0150 -4.0150 -3.9822 -3.9822 -3.5618 -3.5618 -3.4012 -3.4012 -3.2763 -3.2763 -3.0540 -3.0540 -2.7834 -2.7834 -2.7590 -2.7590 -2.5380 -2.5380 -2.4902 -2.4902 -2.1033 -2.1033 -2.0599 -2.0599 -1.9959 -1.9959 -1.8915 -1.8915 -1.8633 -1.8633 -1.6537 -1.6537 -1.4504 -1.4504 -1.3054 -1.3054 -1.0868 -1.0868 -0.8792 -0.8792 -0.7438 -0.7438 -0.6756 -0.6756 -0.5298 -0.5298 -0.3478 -0.3478 -0.2534 -0.2534 -0.1767 -0.1767 -0.1615 -0.1615 -0.1017 -0.1017 -0.0357 -0.0357 0.0184 0.0184 0.0506 0.0506 0.2843 0.2843 0.4413 0.4413 0.9467 0.9467 5.6387 5.6387 6.9312 6.9312 k = 0.0116-0.0000-0.0000 ( 8117 PWs) bands (ev): -15.9292 -15.9292 -15.8039 -15.8039 -15.7213 -15.7213 -15.6716 -15.6716 -13.7319 -13.7319 -13.6474 -13.6474 -13.5756 -13.5756 -13.5041 -13.5041 -4.0144 -4.0144 -3.9819 -3.9819 -3.5618 -3.5618 -3.4011 -3.4011 -3.2765 -3.2765 -3.0540 -3.0540 -2.7835 -2.7835 -2.7591 -2.7591 -2.5385 -2.5385 -2.4905 -2.4905 -2.1031 -2.1031 -2.0603 -2.0603 -1.9969 -1.9969 -1.8928 -1.8928 -1.8639 -1.8639 -1.6532 -1.6532 -1.4503 -1.4503 -1.3053 -1.3053 -1.0861 -1.0861 -0.8806 -0.8806 -0.7461 -0.7461 -0.6755 -0.6755 -0.5310 -0.5310 -0.3471 -0.3471 -0.2529 -0.2529 -0.1768 -0.1768 -0.1623 -0.1623 -0.1024 -0.1024 -0.0358 -0.0358 0.0184 0.0184 0.0503 0.0503 0.2840 0.2840 0.4416 0.4416 0.9463 0.9463 5.6415 5.6415 6.9320 6.9320 k = 0.0233-0.0000-0.0000 ( 8123 PWs) bands (ev): -15.9288 -15.9288 -15.8037 -15.8037 -15.7211 -15.7211 -15.6715 -15.6715 -13.7310 -13.7310 -13.6471 -13.6471 -13.5751 -13.5751 -13.5037 -13.5037 -4.0128 -4.0128 -3.9812 -3.9812 -3.5621 -3.5621 -3.4008 -3.4008 -3.2772 -3.2772 -3.0542 -3.0542 -2.7837 -2.7837 -2.7592 -2.7592 -2.5399 -2.5399 -2.4913 -2.4913 -2.1024 -2.1024 -2.0615 -2.0615 -2.0001 -2.0001 -1.8965 -1.8965 -1.8654 -1.8654 -1.6518 -1.6518 -1.4502 -1.4502 -1.3051 -1.3051 -1.0841 -1.0841 -0.8847 -0.8847 -0.7528 -0.7528 -0.6750 -0.6750 -0.5346 -0.5346 -0.3449 -0.3449 -0.2516 -0.2516 -0.1772 -0.1772 -0.1647 -0.1647 -0.1045 -0.1045 -0.0359 -0.0359 0.0185 0.0185 0.0493 0.0493 0.2831 0.2831 0.4427 0.4427 0.9453 0.9453 5.6500 5.6500 6.9343 6.9343 k = 0.0349-0.0000-0.0000 ( 8115 PWs) bands (ev): -15.9282 -15.9282 -15.8034 -15.8034 -15.7208 -15.7208 -15.6712 -15.6712 -13.7297 -13.7297 -13.6465 -13.6465 -13.5743 -13.5743 -13.5031 -13.5031 -4.0102 -4.0102 -3.9799 -3.9799 -3.5626 -3.5626 -3.4003 -3.4003 -3.2782 -3.2782 -3.0544 -3.0544 -2.7840 -2.7840 -2.7594 -2.7594 -2.5422 -2.5422 -2.4925 -2.4925 -2.1017 -2.1017 -2.0630 -2.0630 -2.0054 -2.0054 -1.9025 -1.9025 -1.8681 -1.8681 -1.6495 -1.6495 -1.4499 -1.4499 -1.3047 -1.3047 -1.0807 -1.0807 -0.8913 -0.8913 -0.7637 -0.7637 -0.6744 -0.6744 -0.5406 -0.5406 -0.3417 -0.3417 -0.2494 -0.2494 -0.1778 -0.1778 -0.1688 -0.1688 -0.1078 -0.1078 -0.0362 -0.0362 0.0186 0.0186 0.0476 0.0476 0.2816 0.2816 0.4445 0.4445 0.9436 0.9436 5.6641 5.6641 6.9382 6.9382 k = 0.0465-0.0000-0.0000 ( 8119 PWs) bands (ev): -15.9273 -15.9273 -15.8030 -15.8030 -15.7204 -15.7204 -15.6709 -15.6709 -13.7278 -13.7278 -13.6456 -13.6456 -13.5731 -13.5731 -13.5022 -13.5022 -4.0066 -4.0066 -3.9781 -3.9781 -3.5633 -3.5633 -3.3997 -3.3997 -3.2797 -3.2797 -3.0548 -3.0548 -2.7844 -2.7844 -2.7597 -2.7597 -2.5454 -2.5454 -2.4942 -2.4942 -2.1015 -2.1015 -2.0643 -2.0643 -2.0127 -2.0127 -1.9109 -1.9109 -1.8721 -1.8721 -1.6463 -1.6463 -1.4496 -1.4496 -1.3042 -1.3042 -1.0760 -1.0760 -0.8999 -0.8999 -0.7785 -0.7785 -0.6737 -0.6737 -0.5488 -0.5488 -0.3378 -0.3378 -0.2466 -0.2466 -0.1789 -0.1789 -0.1748 -0.1748 -0.1120 -0.1120 -0.0366 -0.0366 0.0188 0.0188 0.0452 0.0452 0.2795 0.2795 0.4472 0.4472 0.9412 0.9412 5.6836 5.6836 6.9434 6.9434 k = 0.0581-0.0000-0.0000 ( 8127 PWs) bands (ev): -15.9261 -15.9261 -15.8025 -15.8025 -15.7199 -15.7199 -15.6704 -15.6704 -13.7254 -13.7254 -13.6446 -13.6446 -13.5716 -13.5716 -13.5010 -13.5010 -4.0020 -4.0020 -3.9759 -3.9759 -3.5641 -3.5641 -3.3988 -3.3988 -3.2817 -3.2817 -3.0552 -3.0552 -2.7849 -2.7849 -2.7600 -2.7600 -2.5495 -2.5495 -2.4963 -2.4963 -2.1030 -2.1030 -2.0644 -2.0644 -2.0220 -2.0220 -1.9214 -1.9214 -1.8773 -1.8773 -1.6423 -1.6423 -1.4491 -1.4491 -1.3035 -1.3035 -1.0701 -1.0701 -0.9101 -0.9101 -0.7969 -0.7969 -0.6729 -0.6729 -0.5592 -0.5592 -0.3337 -0.3337 -0.2434 -0.2434 -0.1836 -0.1836 -0.1796 -0.1796 -0.1167 -0.1167 -0.0372 -0.0372 0.0190 0.0190 0.0422 0.0422 0.2769 0.2769 0.4509 0.4509 0.9382 0.9382 5.7084 5.7084 6.9500 6.9500 k = 0.0698-0.0000-0.0000 ( 8131 PWs) bands (ev): -15.9247 -15.9247 -15.8018 -15.8018 -15.7193 -15.7193 -15.6699 -15.6699 -13.7224 -13.7224 -13.6433 -13.6433 -13.5698 -13.5698 -13.4997 -13.4997 -3.9964 -3.9964 -3.9731 -3.9731 -3.5651 -3.5651 -3.3979 -3.3979 -3.2842 -3.2842 -3.0558 -3.0558 -2.7855 -2.7855 -2.7604 -2.7604 -2.5544 -2.5544 -2.4989 -2.4989 -2.1070 -2.1070 -2.0625 -2.0625 -2.0333 -2.0333 -1.9341 -1.9341 -1.8839 -1.8839 -1.6375 -1.6375 -1.4485 -1.4485 -1.3027 -1.3027 -1.0630 -1.0630 -0.9212 -0.9212 -0.8184 -0.8184 -0.6720 -0.6720 -0.5716 -0.5716 -0.3297 -0.3297 -0.2400 -0.2400 -0.1940 -0.1940 -0.1812 -0.1812 -0.1216 -0.1216 -0.0380 -0.0380 0.0192 0.0192 0.0387 0.0387 0.2738 0.2738 0.4558 0.4558 0.9345 0.9345 5.7382 5.7382 6.9577 6.9577 k = 0.0814-0.0000-0.0000 ( 8127 PWs) bands (ev): -15.9231 -15.9231 -15.8010 -15.8010 -15.7186 -15.7186 -15.6693 -15.6693 -13.7190 -13.7190 -13.6417 -13.6417 -13.5677 -13.5677 -13.4981 -13.4981 -3.9899 -3.9899 -3.9698 -3.9698 -3.5663 -3.5663 -3.3968 -3.3968 -3.2871 -3.2871 -3.0564 -3.0564 -2.7862 -2.7862 -2.7607 -2.7607 -2.5598 -2.5598 -2.5017 -2.5017 -2.1139 -2.1139 -2.0585 -2.0585 -2.0463 -2.0463 -1.9488 -1.9488 -1.8918 -1.8918 -1.6320 -1.6320 -1.4478 -1.4478 -1.3017 -1.3017 -1.0548 -1.0548 -0.9330 -0.9330 -0.8428 -0.8428 -0.6712 -0.6712 -0.5861 -0.5861 -0.3263 -0.3263 -0.2366 -0.2366 -0.2067 -0.2067 -0.1831 -0.1831 -0.1266 -0.1266 -0.0391 -0.0391 0.0194 0.0194 0.0347 0.0347 0.2702 0.2702 0.4619 0.4619 0.9301 0.9301 5.7729 5.7729 6.9663 6.9663 k = 0.0930-0.0000-0.0000 ( 8131 PWs) bands (ev): -15.9213 -15.9213 -15.8002 -15.8002 -15.7178 -15.7178 -15.6686 -15.6686 -13.7151 -13.7151 -13.6400 -13.6400 -13.5653 -13.5653 -13.4963 -13.4963 -3.9825 -3.9825 -3.9661 -3.9661 -3.5677 -3.5677 -3.3956 -3.3956 -3.2906 -3.2906 -3.0571 -3.0571 -2.7870 -2.7870 -2.7610 -2.7610 -2.5660 -2.5660 -2.5048 -2.5048 -2.1234 -2.1234 -2.0616 -2.0616 -2.0520 -2.0520 -1.9653 -1.9653 -1.9010 -1.9010 -1.6258 -1.6258 -1.4469 -1.4469 -1.3006 -1.3006 -1.0457 -1.0457 -0.9450 -0.9450 -0.8696 -0.8696 -0.6704 -0.6704 -0.6024 -0.6024 -0.3236 -0.3236 -0.2343 -0.2343 -0.2205 -0.2205 -0.1852 -0.1852 -0.1315 -0.1315 -0.0404 -0.0404 0.0196 0.0196 0.0303 0.0303 0.2663 0.2663 0.4694 0.4694 0.9251 0.9251 5.8120 5.8120 6.9757 6.9757 k = 0.1047-0.0000-0.0000 ( 8127 PWs) bands (ev): -15.9192 -15.9192 -15.7992 -15.7992 -15.7168 -15.7168 -15.6678 -15.6678 -13.7106 -13.7106 -13.6380 -13.6380 -13.5626 -13.5626 -13.4943 -13.4943 -3.9743 -3.9743 -3.9620 -3.9620 -3.5692 -3.5692 -3.3943 -3.3943 -3.2946 -3.2946 -3.0580 -3.0580 -2.7878 -2.7878 -2.7613 -2.7613 -2.5726 -2.5726 -2.5081 -2.5081 -2.1354 -2.1354 -2.0778 -2.0778 -2.0446 -2.0446 -1.9835 -1.9835 -1.9115 -1.9115 -1.6190 -1.6190 -1.4460 -1.4460 -1.2994 -1.2994 -1.0357 -1.0357 -0.9571 -0.9571 -0.8985 -0.8985 -0.6695 -0.6695 -0.6203 -0.6203 -0.3216 -0.3216 -0.2420 -0.2420 -0.2267 -0.2267 -0.1876 -0.1876 -0.1364 -0.1364 -0.0421 -0.0421 0.0196 0.0196 0.0256 0.0256 0.2620 0.2620 0.4782 0.4782 0.9194 0.9194 5.8554 5.8554 6.9856 6.9856 k = 0.1163-0.0000-0.0000 ( 8113 PWs) bands (ev): -15.9170 -15.9170 -15.7981 -15.7981 -15.7158 -15.7158 -15.6669 -15.6669 -13.7058 -13.7058 -13.6359 -13.6359 -13.5596 -13.5596 -13.4921 -13.4921 -3.9654 -3.9654 -3.9573 -3.9573 -3.5708 -3.5708 -3.3930 -3.3930 -3.2992 -3.2992 -3.0589 -3.0589 -2.7887 -2.7887 -2.7613 -2.7613 -2.5797 -2.5797 -2.5117 -2.5117 -2.1497 -2.1497 -2.0956 -2.0956 -2.0362 -2.0362 -2.0029 -2.0029 -1.9231 -1.9231 -1.6117 -1.6117 -1.4448 -1.4448 -1.2980 -1.2980 -1.0250 -1.0250 -0.9692 -0.9692 -0.9290 -0.9290 -0.6687 -0.6687 -0.6395 -0.6395 -0.3206 -0.3206 -0.2597 -0.2597 -0.2249 -0.2249 -0.1903 -0.1903 -0.1413 -0.1413 -0.0442 -0.0442 0.0191 0.0191 0.0209 0.0209 0.2576 0.2576 0.4883 0.4883 0.9132 0.9132 5.9026 5.9026 6.9957 6.9957 k = 0.1279-0.0000-0.0000 ( 8119 PWs) bands (ev): -15.9145 -15.9145 -15.7969 -15.7969 -15.7147 -15.7147 -15.6660 -15.6660 -13.7004 -13.7004 -13.6335 -13.6335 -13.5564 -13.5564 -13.4897 -13.4897 -3.9560 -3.9560 -3.9522 -3.9522 -3.5726 -3.5726 -3.3917 -3.3917 -3.3044 -3.3044 -3.0600 -3.0600 -2.7897 -2.7897 -2.7612 -2.7612 -2.5872 -2.5872 -2.5153 -2.5153 -2.1664 -2.1664 -2.1147 -2.1147 -2.0295 -2.0295 -2.0205 -2.0205 -1.9360 -1.9360 -1.6041 -1.6041 -1.4436 -1.4436 -1.2965 -1.2965 -1.0140 -1.0140 -0.9816 -0.9816 -0.9607 -0.9607 -0.6680 -0.6680 -0.6595 -0.6595 -0.3205 -0.3205 -0.2794 -0.2794 -0.2228 -0.2228 -0.1931 -0.1931 -0.1461 -0.1461 -0.0467 -0.0467 0.0150 0.0150 0.0195 0.0195 0.2530 0.2530 0.4997 0.4997 0.9064 0.9064 5.9534 5.9534 7.0058 7.0058 k = 0.1395-0.0000-0.0000 ( 8123 PWs) bands (ev): -15.9119 -15.9119 -15.7957 -15.7957 -15.7136 -15.7136 -15.6649 -15.6649 -13.6947 -13.6947 -13.6310 -13.6310 -13.5529 -13.5529 -13.4872 -13.4872 -3.9476 -3.9476 -3.9451 -3.9451 -3.5745 -3.5745 -3.3905 -3.3905 -3.3103 -3.3103 -3.0611 -3.0611 -2.7908 -2.7908 -2.7610 -2.7610 -2.5948 -2.5948 -2.5191 -2.5191 -2.1853 -2.1853 -2.1349 -2.1349 -2.0461 -2.0461 -2.0147 -2.0147 -1.9500 -1.9500 -1.5960 -1.5960 -1.4422 -1.4422 -1.2949 -1.2949 -1.0061 -1.0061 -0.9942 -0.9942 -0.9901 -0.9901 -0.6803 -0.6803 -0.6667 -0.6667 -0.3223 -0.3223 -0.2992 -0.2992 -0.2216 -0.2216 -0.1959 -0.1959 -0.1510 -0.1510 -0.0499 -0.0499 0.0097 0.0097 0.0188 0.0188 0.2484 0.2484 0.5122 0.5122 0.8991 0.8991 6.0072 6.0072 7.0155 7.0155 k = 0.1512-0.0000-0.0000 ( 8129 PWs) bands (ev): -15.9091 -15.9091 -15.7944 -15.7944 -15.7123 -15.7123 -15.6639 -15.6639 -13.6885 -13.6885 -13.6283 -13.6283 -13.5493 -13.5493 -13.4845 -13.4845 -3.9415 -3.9415 -3.9348 -3.9348 -3.5764 -3.5764 -3.3894 -3.3894 -3.3169 -3.3169 -3.0624 -3.0624 -2.7920 -2.7920 -2.7604 -2.7604 -2.6026 -2.6026 -2.5230 -2.5230 -2.2065 -2.2065 -2.1562 -2.1562 -2.0672 -2.0672 -2.0040 -2.0040 -1.9648 -1.9648 -1.5877 -1.5877 -1.4408 -1.4408 -1.2931 -1.2931 -1.0305 -1.0305 -1.0080 -1.0080 -0.9875 -0.9875 -0.7000 -0.7000 -0.6660 -0.6660 -0.3313 -0.3313 -0.3133 -0.3133 -0.2216 -0.2216 -0.1982 -0.1982 -0.1560 -0.1560 -0.0536 -0.0536 0.0044 0.0044 0.0179 0.0179 0.2439 0.2439 0.5256 0.5256 0.8914 0.8914 6.0638 6.0638 7.0247 7.0247 k = 0.1628-0.0000-0.0000 ( 8117 PWs) bands (ev): -15.9061 -15.9061 -15.7929 -15.7929 -15.7110 -15.7110 -15.6627 -15.6627 -13.6820 -13.6820 -13.6254 -13.6254 -13.5454 -13.5454 -13.4818 -13.4818 -3.9354 -3.9354 -3.9239 -3.9239 -3.5782 -3.5782 -3.3886 -3.3886 -3.3240 -3.3240 -3.0637 -3.0637 -2.7933 -2.7933 -2.7595 -2.7595 -2.6105 -2.6105 -2.5269 -2.5269 -2.2297 -2.2297 -2.1788 -2.1788 -2.0882 -2.0882 -1.9944 -1.9944 -1.9787 -1.9787 -1.5792 -1.5792 -1.4392 -1.4392 -1.2912 -1.2912 -1.0642 -1.0642 -1.0242 -1.0242 -0.9755 -0.9755 -0.7182 -0.7182 -0.6652 -0.6652 -0.3513 -0.3513 -0.3175 -0.3175 -0.2233 -0.2233 -0.1997 -0.1997 -0.1612 -0.1612 -0.0581 -0.0581 -0.0009 -0.0009 0.0167 0.0167 0.2397 0.2397 0.5398 0.5398 0.8833 0.8833 6.1228 6.1228 7.0329 7.0329 k = 0.1744-0.0000-0.0000 ( 8109 PWs) bands (ev): -15.9030 -15.9030 -15.7915 -15.7915 -15.7096 -15.7096 -15.6615 -15.6615 -13.6751 -13.6751 -13.6224 -13.6224 -13.5413 -13.5413 -13.4789 -13.4789 -3.9290 -3.9290 -3.9127 -3.9127 -3.5799 -3.5799 -3.3882 -3.3882 -3.3317 -3.3317 -3.0651 -3.0651 -2.7949 -2.7949 -2.7582 -2.7582 -2.6182 -2.6182 -2.5308 -2.5308 -2.2547 -2.2547 -2.2024 -2.2024 -2.1087 -2.1087 -2.0013 -2.0013 -1.9765 -1.9765 -1.5705 -1.5705 -1.4375 -1.4375 -1.2892 -1.2892 -1.0986 -1.0986 -1.0429 -1.0429 -0.9630 -0.9630 -0.7339 -0.7339 -0.6645 -0.6645 -0.3743 -0.3743 -0.3193 -0.3193 -0.2269 -0.2269 -0.2003 -0.2003 -0.1664 -0.1664 -0.0634 -0.0634 -0.0061 -0.0061 0.0151 0.0151 0.2359 0.2359 0.5546 0.5546 0.8749 0.8749 6.1838 6.1838 7.0400 7.0400 k = 0.1860-0.0000-0.0000 ( 8107 PWs) bands (ev): -15.8998 -15.8998 -15.7900 -15.7900 -15.7082 -15.7082 -15.6603 -15.6603 -13.6679 -13.6679 -13.6193 -13.6193 -13.5371 -13.5371 -13.4760 -13.4760 -3.9223 -3.9223 -3.9015 -3.9015 -3.5815 -3.5815 -3.3883 -3.3883 -3.3399 -3.3399 -3.0666 -3.0666 -2.7967 -2.7967 -2.7566 -2.7566 -2.6259 -2.6259 -2.5347 -2.5347 -2.2811 -2.2811 -2.2270 -2.2270 -2.1284 -2.1284 -2.0184 -2.0184 -1.9644 -1.9644 -1.5618 -1.5618 -1.4358 -1.4358 -1.2871 -1.2871 -1.1330 -1.1330 -1.0650 -1.0650 -0.9504 -0.9504 -0.7462 -0.7462 -0.6638 -0.6638 -0.3983 -0.3983 -0.3207 -0.3207 -0.2319 -0.2319 -0.2004 -0.2004 -0.1718 -0.1718 -0.0696 -0.0696 -0.0110 -0.0110 0.0131 0.0131 0.2325 0.2325 0.5698 0.5698 0.8663 0.8663 6.2464 6.2464 7.0456 7.0456 k = 0.1977-0.0000-0.0000 ( 8101 PWs) bands (ev): -15.8964 -15.8964 -15.7884 -15.7884 -15.7067 -15.7067 -15.6590 -15.6590 -13.6604 -13.6604 -13.6161 -13.6161 -13.5328 -13.5328 -13.4730 -13.4730 -3.9155 -3.9155 -3.8904 -3.8904 -3.5828 -3.5828 -3.3895 -3.3895 -3.3481 -3.3481 -3.0682 -3.0682 -2.7989 -2.7989 -2.7546 -2.7546 -2.6332 -2.6332 -2.5386 -2.5386 -2.3085 -2.3085 -2.2522 -2.2522 -2.1474 -2.1474 -2.0370 -2.0370 -1.9511 -1.9511 -1.5530 -1.5530 -1.4341 -1.4341 -1.2849 -1.2849 -1.1672 -1.1672 -1.0909 -1.0909 -0.9380 -0.9380 -0.7546 -0.7546 -0.6632 -0.6632 -0.4225 -0.4225 -0.3219 -0.3219 -0.2379 -0.2379 -0.2002 -0.2002 -0.1773 -0.1773 -0.0767 -0.0767 -0.0158 -0.0158 0.0108 0.0108 0.2296 0.2296 0.5852 0.5852 0.8575 0.8575 6.3103 6.3103 7.0495 7.0495 k = 0.2093-0.0000-0.0000 ( 8109 PWs) bands (ev): -15.8930 -15.8930 -15.7868 -15.7868 -15.7052 -15.7052 -15.6577 -15.6577 -13.6527 -13.6527 -13.6127 -13.6127 -13.5283 -13.5283 -13.4699 -13.4699 -3.9084 -3.9084 -3.8797 -3.8797 -3.5836 -3.5836 -3.3922 -3.3922 -3.3559 -3.3559 -3.0699 -3.0699 -2.8014 -2.8014 -2.7523 -2.7523 -2.6401 -2.6401 -2.5426 -2.5426 -2.3366 -2.3366 -2.2776 -2.2776 -2.1657 -2.1657 -2.0564 -2.0564 -1.9373 -1.9373 -1.5443 -1.5443 -1.4324 -1.4324 -1.2827 -1.2827 -1.2007 -1.2007 -1.1204 -1.1204 -0.9259 -0.9259 -0.7590 -0.7590 -0.6627 -0.6627 -0.4468 -0.4468 -0.3231 -0.3231 -0.2448 -0.2448 -0.2002 -0.2002 -0.1829 -0.1829 -0.0848 -0.0848 -0.0202 -0.0202 0.0081 0.0081 0.2275 0.2275 0.6007 0.6007 0.8487 0.8487 6.3750 6.3750 7.0516 7.0516 k = 0.2209-0.0000-0.0000 ( 8115 PWs) bands (ev): -15.8896 -15.8896 -15.7851 -15.7851 -15.7036 -15.7036 -15.6564 -15.6564 -13.6447 -13.6447 -13.6093 -13.6093 -13.5238 -13.5238 -13.4669 -13.4669 -3.9012 -3.9012 -3.8694 -3.8694 -3.5840 -3.5840 -3.3974 -3.3974 -3.3624 -3.3624 -3.0717 -3.0717 -2.8042 -2.8042 -2.7498 -2.7498 -2.6465 -2.6465 -2.5467 -2.5467 -2.3651 -2.3651 -2.3029 -2.3029 -2.1836 -2.1836 -2.0763 -2.0763 -1.9231 -1.9231 -1.5357 -1.5357 -1.4308 -1.4308 -1.2807 -1.2807 -1.2331 -1.2331 -1.1532 -1.1532 -0.9143 -0.9143 -0.7595 -0.7595 -0.6623 -0.6623 -0.4710 -0.4710 -0.3241 -0.3241 -0.2522 -0.2522 -0.2007 -0.2007 -0.1884 -0.1884 -0.0939 -0.0939 -0.0243 -0.0243 0.0050 0.0050 0.2260 0.2260 0.6160 0.6160 0.8399 0.8399 6.4402 6.4402 7.0515 7.0515 k = 0.2326-0.0000-0.0000 ( 8107 PWs) bands (ev): -15.8860 -15.8860 -15.7835 -15.7835 -15.7020 -15.7020 -15.6550 -15.6550 -13.6365 -13.6365 -13.6058 -13.6058 -13.5192 -13.5192 -13.4639 -13.4639 -3.8938 -3.8938 -3.8599 -3.8599 -3.5837 -3.5837 -3.4055 -3.4055 -3.3671 -3.3671 -3.0735 -3.0735 -2.8075 -2.8075 -2.7470 -2.7470 -2.6521 -2.6521 -2.5510 -2.5510 -2.3936 -2.3936 -2.3275 -2.3275 -2.2011 -2.2011 -2.0963 -2.0963 -1.9087 -1.9087 -1.5274 -1.5274 -1.4294 -1.4294 -1.2811 -1.2811 -1.2620 -1.2620 -1.1887 -1.1887 -0.9032 -0.9032 -0.7566 -0.7566 -0.6620 -0.6620 -0.4948 -0.4948 -0.3250 -0.3250 -0.2599 -0.2599 -0.2025 -0.2025 -0.1928 -0.1928 -0.1039 -0.1039 -0.0280 -0.0280 0.0016 0.0016 0.2252 0.2252 0.6312 0.6312 0.8312 0.8312 6.5055 6.5055 7.0493 7.0493 k = 0.2442-0.0000-0.0000 ( 8105 PWs) bands (ev): -15.8825 -15.8825 -15.7818 -15.7818 -15.7005 -15.7005 -15.6536 -15.6536 -13.6281 -13.6281 -13.6023 -13.6023 -13.5145 -13.5145 -13.4610 -13.4610 -3.8864 -3.8864 -3.8513 -3.8513 -3.5826 -3.5826 -3.4163 -3.4163 -3.3703 -3.3703 -3.0753 -3.0753 -2.8113 -2.8113 -2.7443 -2.7443 -2.6570 -2.6570 -2.5556 -2.5556 -2.4216 -2.4216 -2.3512 -2.3512 -2.2184 -2.2184 -2.1162 -2.1162 -1.8940 -1.8940 -1.5193 -1.5193 -1.4285 -1.4285 -1.3001 -1.3001 -1.2710 -1.2710 -1.2263 -1.2263 -0.8929 -0.8929 -0.7507 -0.7507 -0.6619 -0.6619 -0.5181 -0.5181 -0.3258 -0.3258 -0.2680 -0.2680 -0.2066 -0.2066 -0.1953 -0.1953 -0.1148 -0.1148 -0.0314 -0.0314 -0.0023 -0.0023 0.2251 0.2251 0.6460 0.6460 0.8227 0.8227 6.5708 6.5708 7.0447 7.0447 k = 0.2558-0.0000-0.0000 ( 8103 PWs) bands (ev): -15.8789 -15.8789 -15.7801 -15.7801 -15.6989 -15.6989 -15.6523 -15.6523 -13.6196 -13.6196 -13.5988 -13.5988 -13.5098 -13.5098 -13.4581 -13.4581 -3.8791 -3.8791 -3.8437 -3.8437 -3.5805 -3.5805 -3.4289 -3.4289 -3.3726 -3.3726 -3.0772 -3.0772 -2.8156 -2.8156 -2.7417 -2.7417 -2.6609 -2.6609 -2.5608 -2.5608 -2.4487 -2.4487 -2.3737 -2.3737 -2.2356 -2.2356 -2.1355 -2.1355 -1.8792 -1.8792 -1.5116 -1.5116 -1.4283 -1.4283 -1.3282 -1.3282 -1.2702 -1.2702 -1.2642 -1.2642 -0.8835 -0.8835 -0.7423 -0.7423 -0.6619 -0.6619 -0.5408 -0.5408 -0.3265 -0.3265 -0.2761 -0.2761 -0.2125 -0.2125 -0.1964 -0.1964 -0.1266 -0.1266 -0.0344 -0.0344 -0.0065 -0.0065 0.2258 0.2258 0.6604 0.6604 0.8145 0.8145 6.6355 6.6355 7.0379 7.0379 k = 0.2674-0.0000-0.0000 ( 8111 PWs) bands (ev): -15.8753 -15.8753 -15.7784 -15.7784 -15.6973 -15.6973 -15.6509 -15.6509 -13.6110 -13.6110 -13.5952 -13.5952 -13.5052 -13.5052 -13.4553 -13.4553 -3.8718 -3.8718 -3.8375 -3.8375 -3.5775 -3.5775 -3.4430 -3.4430 -3.3745 -3.3745 -3.0791 -3.0791 -2.8204 -2.8204 -2.7396 -2.7396 -2.6636 -2.6636 -2.5671 -2.5671 -2.4741 -2.4741 -2.3949 -2.3949 -2.2526 -2.2526 -2.1539 -2.1539 -1.8644 -1.8644 -1.5045 -1.5045 -1.4299 -1.4299 -1.3551 -1.3551 -1.3044 -1.3044 -1.2661 -1.2661 -0.8750 -0.8750 -0.7320 -0.7320 -0.6620 -0.6620 -0.5626 -0.5626 -0.3271 -0.3271 -0.2843 -0.2843 -0.2192 -0.2192 -0.1970 -0.1970 -0.1391 -0.1391 -0.0371 -0.0371 -0.0111 -0.0111 0.2271 0.2271 0.6743 0.6743 0.8067 0.8067 6.6994 6.6994 7.0287 7.0287 k = 0.2791-0.0000-0.0000 ( 8099 PWs) bands (ev): -15.8718 -15.8718 -15.7767 -15.7767 -15.6957 -15.6957 -15.6495 -15.6495 -13.6023 -13.6023 -13.5917 -13.5917 -13.5005 -13.5005 -13.4527 -13.4527 -3.8646 -3.8646 -3.8326 -3.8326 -3.5734 -3.5734 -3.4579 -3.4579 -3.3763 -3.3763 -3.0811 -3.0811 -2.8255 -2.8255 -2.7383 -2.7383 -2.6650 -2.6650 -2.5752 -2.5752 -2.4970 -2.4970 -2.4146 -2.4146 -2.2694 -2.2694 -2.1711 -2.1711 -1.8495 -1.8495 -1.4985 -1.4985 -1.4351 -1.4351 -1.3796 -1.3796 -1.3415 -1.3415 -1.2629 -1.2629 -0.8676 -0.8676 -0.7203 -0.7203 -0.6622 -0.6622 -0.5834 -0.5834 -0.3275 -0.3275 -0.2923 -0.2923 -0.2264 -0.2264 -0.1975 -0.1975 -0.1523 -0.1523 -0.0395 -0.0395 -0.0160 -0.0160 0.2290 0.2290 0.6876 0.6876 0.7993 0.7993 6.7623 6.7623 7.0172 7.0172 k = 0.2907-0.0000-0.0000 ( 8101 PWs) bands (ev): -15.8683 -15.8683 -15.7751 -15.7751 -15.6941 -15.6941 -15.6482 -15.6482 -13.5936 -13.5936 -13.5882 -13.5882 -13.4959 -13.4959 -13.4502 -13.4502 -3.8577 -3.8577 -3.8291 -3.8291 -3.5682 -3.5682 -3.4734 -3.4734 -3.3781 -3.3781 -3.0831 -3.0831 -2.8311 -2.8311 -2.7379 -2.7379 -2.6652 -2.6652 -2.5861 -2.5861 -2.5163 -2.5163 -2.4330 -2.4330 -2.2858 -2.2858 -2.1866 -2.1866 -1.8348 -1.8348 -1.4945 -1.4945 -1.4458 -1.4458 -1.4042 -1.4042 -1.3705 -1.3705 -1.2595 -1.2595 -0.8613 -0.8613 -0.7078 -0.7078 -0.6624 -0.6624 -0.6029 -0.6029 -0.3279 -0.3279 -0.3002 -0.3002 -0.2339 -0.2339 -0.1979 -0.1979 -0.1659 -0.1659 -0.0416 -0.0416 -0.0214 -0.0214 0.2314 0.2314 0.7003 0.7003 0.7924 0.7924 6.8238 6.8238 7.0037 7.0037 k = 0.3023-0.0000-0.0000 ( 8097 PWs) bands (ev): -15.8648 -15.8648 -15.7734 -15.7734 -15.6926 -15.6926 -15.6469 -15.6469 -13.5849 -13.5849 -13.5847 -13.5847 -13.4914 -13.4914 -13.4478 -13.4478 -3.8512 -3.8512 -3.8269 -3.8269 -3.5621 -3.5621 -3.4891 -3.4891 -3.3800 -3.3800 -3.0850 -3.0850 -2.8370 -2.8370 -2.7387 -2.7387 -2.6645 -2.6645 -2.6001 -2.6001 -2.5312 -2.5312 -2.4500 -2.4500 -2.3013 -2.3013 -2.2003 -2.2003 -1.8202 -1.8202 -1.4962 -1.4962 -1.4603 -1.4603 -1.4344 -1.4344 -1.3840 -1.3840 -1.2558 -1.2558 -0.8562 -0.8562 -0.6959 -0.6959 -0.6622 -0.6622 -0.6204 -0.6204 -0.3282 -0.3282 -0.3078 -0.3078 -0.2416 -0.2416 -0.1986 -0.1986 -0.1797 -0.1797 -0.0434 -0.0434 -0.0270 -0.0270 0.2343 0.2343 0.7124 0.7124 0.7860 0.7860 6.8836 6.8836 6.9883 6.9883 k = 0.3140-0.0000-0.0000 ( 8103 PWs) bands (ev): -15.8615 -15.8615 -15.7719 -15.7719 -15.6911 -15.6911 -15.6456 -15.6456 -13.5813 -13.5813 -13.5762 -13.5762 -13.4871 -13.4871 -13.4457 -13.4457 -3.8451 -3.8451 -3.8261 -3.8261 -3.5552 -3.5552 -3.5048 -3.5048 -3.3820 -3.3820 -3.0869 -3.0869 -2.8431 -2.8431 -2.7408 -2.7408 -2.6632 -2.6632 -2.6164 -2.6164 -2.5426 -2.5426 -2.4657 -2.4657 -2.3154 -2.3154 -2.2121 -2.2121 -1.8058 -1.8058 -1.5105 -1.5105 -1.4791 -1.4791 -1.4561 -1.4561 -1.3880 -1.3880 -1.2519 -1.2519 -0.8523 -0.8523 -0.6868 -0.6868 -0.6614 -0.6614 -0.6337 -0.6337 -0.3284 -0.3284 -0.3150 -0.3150 -0.2495 -0.2495 -0.2005 -0.2005 -0.1924 -0.1924 -0.0450 -0.0450 -0.0330 -0.0330 0.2376 0.2376 0.7236 0.7236 0.7803 0.7803 6.9416 6.9416 6.9714 6.9714 k = 0.3256-0.0000-0.0000 ( 8095 PWs) bands (ev): -15.8582 -15.8582 -15.7703 -15.7703 -15.6897 -15.6897 -15.6443 -15.6443 -13.5780 -13.5780 -13.5676 -13.5676 -13.4828 -13.4828 -13.4438 -13.4438 -3.8395 -3.8395 -3.8264 -3.8264 -3.5479 -3.5479 -3.5197 -3.5197 -3.3841 -3.3841 -3.0887 -3.0887 -2.8493 -2.8493 -2.7443 -2.7443 -2.6623 -2.6623 -2.6326 -2.6326 -2.5520 -2.5520 -2.4802 -2.4802 -2.3275 -2.3275 -2.2218 -2.2218 -1.7917 -1.7917 -1.5368 -1.5368 -1.5079 -1.5079 -1.4585 -1.4585 -1.3884 -1.3884 -1.2479 -1.2479 -0.8497 -0.8497 -0.6843 -0.6843 -0.6633 -0.6633 -0.6361 -0.6361 -0.3287 -0.3287 -0.3217 -0.3217 -0.2576 -0.2576 -0.2102 -0.2102 -0.1972 -0.1972 -0.0465 -0.0465 -0.0391 -0.0391 0.2411 0.2411 0.7340 0.7340 0.7753 0.7753 6.9530 6.9530 6.9976 6.9976 k = 0.3372-0.0000-0.0000 ( 8108 PWs) bands (ev): -15.8551 -15.8551 -15.7689 -15.7689 -15.6883 -15.6883 -15.6431 -15.6431 -13.5748 -13.5748 -13.5591 -13.5591 -13.4787 -13.4787 -13.4422 -13.4422 -3.8348 -3.8348 -3.8277 -3.8277 -3.5433 -3.5433 -3.5310 -3.5310 -3.3863 -3.3863 -3.0905 -3.0905 -2.8554 -2.8554 -2.7495 -2.7495 -2.6647 -2.6647 -2.6449 -2.6449 -2.5607 -2.5607 -2.4933 -2.4933 -2.3370 -2.3370 -2.2296 -2.2296 -1.7781 -1.7781 -1.5693 -1.5693 -1.5357 -1.5357 -1.4560 -1.4560 -1.3871 -1.3871 -1.2438 -1.2438 -0.8483 -0.8483 -0.6893 -0.6893 -0.6682 -0.6682 -0.6263 -0.6263 -0.3295 -0.3295 -0.3275 -0.3275 -0.2659 -0.2659 -0.2237 -0.2237 -0.1979 -0.1979 -0.0487 -0.0487 -0.0446 -0.0446 0.2449 0.2449 0.7434 0.7434 0.7711 0.7711 6.9337 6.9337 7.0511 7.0511 k = 0.3488-0.0000-0.0000 ( 8116 PWs) bands (ev): -15.8520 -15.8520 -15.7674 -15.7674 -15.6870 -15.6870 -15.6420 -15.6420 -13.5717 -13.5717 -13.5508 -13.5508 -13.4748 -13.4748 -13.4408 -13.4408 -3.8313 -3.8313 -3.8293 -3.8293 -3.5521 -3.5521 -3.5278 -3.5278 -3.3886 -3.3886 -3.0922 -3.0922 -2.8614 -2.8614 -2.7566 -2.7566 -2.6739 -2.6739 -2.6488 -2.6488 -2.5698 -2.5698 -2.5049 -2.5049 -2.3433 -2.3433 -2.2355 -2.2355 -1.7648 -1.7648 -1.6041 -1.6041 -1.5616 -1.5616 -1.4527 -1.4527 -1.3850 -1.3850 -1.2396 -1.2396 -0.8481 -0.8481 -0.6991 -0.6991 -0.6717 -0.6717 -0.6118 -0.6118 -0.3342 -0.3342 -0.3289 -0.3289 -0.2744 -0.2744 -0.2371 -0.2371 -0.1982 -0.1982 -0.0539 -0.0539 -0.0473 -0.0473 0.2488 0.2488 0.7511 0.7511 0.7686 0.7686 6.9137 6.9137 7.1022 7.1022 k = 0.3605-0.0000-0.0000 ( 8128 PWs) bands (ev): -15.8492 -15.8492 -15.7661 -15.7661 -15.6857 -15.6857 -15.6409 -15.6409 -13.5688 -13.5688 -13.5427 -13.5427 -13.4710 -13.4710 -13.4397 -13.4397 -3.8329 -3.8329 -3.8273 -3.8273 -3.5645 -3.5645 -3.5197 -3.5197 -3.3908 -3.3908 -3.0939 -3.0939 -2.8672 -2.8672 -2.7656 -2.7656 -2.6854 -2.6854 -2.6489 -2.6489 -2.5799 -2.5799 -2.5149 -2.5149 -2.3462 -2.3462 -2.2396 -2.2396 -1.7521 -1.7521 -1.6388 -1.6388 -1.5864 -1.5864 -1.4493 -1.4493 -1.3823 -1.3823 -1.2354 -1.2354 -0.8491 -0.8491 -0.7100 -0.7100 -0.6743 -0.6743 -0.5956 -0.5956 -0.3394 -0.3394 -0.3294 -0.3294 -0.2832 -0.2832 -0.2499 -0.2499 -0.1983 -0.1983 -0.0606 -0.0606 -0.0484 -0.0484 0.2527 0.2527 0.7550 0.7550 0.7695 0.7695 6.8935 6.8935 7.1505 7.1505 k = 0.3721-0.0000-0.0000 ( 8120 PWs) bands (ev): -15.8465 -15.8465 -15.7648 -15.7648 -15.6845 -15.6845 -15.6399 -15.6399 -13.5661 -13.5661 -13.5348 -13.5348 -13.4675 -13.4675 -13.4388 -13.4388 -3.8361 -3.8361 -3.8252 -3.8252 -3.5760 -3.5760 -3.5111 -3.5111 -3.3930 -3.3930 -3.0954 -3.0954 -2.8726 -2.8726 -2.7764 -2.7764 -2.6956 -2.6956 -2.6484 -2.6484 -2.5910 -2.5910 -2.5232 -2.5232 -2.3457 -2.3457 -2.2420 -2.2420 -1.7401 -1.7401 -1.6725 -1.6725 -1.6105 -1.6105 -1.4461 -1.4461 -1.3795 -1.3795 -1.2311 -1.2311 -0.8510 -0.8510 -0.7204 -0.7204 -0.6768 -0.6768 -0.5788 -0.5788 -0.3440 -0.3440 -0.3301 -0.3301 -0.2923 -0.2923 -0.2618 -0.2618 -0.1982 -0.1982 -0.0677 -0.0677 -0.0491 -0.0491 0.2566 0.2566 0.7549 0.7549 0.7744 0.7744 6.8734 6.8734 7.1960 7.1960 k = 0.3837-0.0000-0.0000 ( 8108 PWs) bands (ev): -15.8440 -15.8440 -15.7637 -15.7637 -15.6834 -15.6834 -15.6389 -15.6389 -13.5635 -13.5635 -13.5272 -13.5272 -13.4642 -13.4642 -13.4383 -13.4383 -3.8397 -3.8397 -3.8242 -3.8242 -3.5862 -3.5862 -3.5027 -3.5027 -3.3950 -3.3950 -3.0968 -3.0968 -2.8777 -2.8777 -2.7883 -2.7883 -2.7042 -2.7042 -2.6485 -2.6485 -2.6026 -2.6026 -2.5300 -2.5300 -2.3421 -2.3421 -2.2429 -2.2429 -1.7289 -1.7289 -1.7045 -1.7045 -1.6339 -1.6339 -1.4433 -1.4433 -1.3764 -1.3764 -1.2269 -1.2269 -0.8538 -0.8538 -0.7298 -0.7298 -0.6792 -0.6792 -0.5619 -0.5619 -0.3482 -0.3482 -0.3310 -0.3310 -0.3016 -0.3016 -0.2725 -0.2725 -0.1981 -0.1981 -0.0749 -0.0749 -0.0497 -0.0497 0.2605 0.2605 0.7532 0.7532 0.7805 0.7805 6.8538 6.8538 7.2384 7.2384 k = 0.3953-0.0000-0.0000 ( 8106 PWs) bands (ev): -15.8417 -15.8417 -15.7626 -15.7626 -15.6824 -15.6824 -15.6380 -15.6380 -13.5611 -13.5611 -13.5198 -13.5198 -13.4612 -13.4612 -13.4381 -13.4381 -3.8434 -3.8434 -3.8242 -3.8242 -3.5949 -3.5949 -3.4945 -3.4945 -3.3969 -3.3969 -3.0980 -3.0980 -2.8823 -2.8823 -2.8007 -2.8007 -2.7115 -2.7115 -2.6498 -2.6498 -2.6139 -2.6139 -2.5353 -2.5353 -2.3359 -2.3359 -2.2424 -2.2424 -1.7356 -1.7356 -1.7176 -1.7176 -1.6565 -1.6565 -1.4409 -1.4409 -1.3734 -1.3734 -1.2227 -1.2227 -0.8573 -0.8573 -0.7381 -0.7381 -0.6816 -0.6816 -0.5452 -0.5452 -0.3518 -0.3518 -0.3324 -0.3324 -0.3108 -0.3108 -0.2821 -0.2821 -0.1979 -0.1979 -0.0821 -0.0821 -0.0502 -0.0502 0.2641 0.2641 0.7515 0.7515 0.7865 0.7865 6.8349 6.8349 7.2775 7.2775 k = 0.4070-0.0000-0.0000 ( 8110 PWs) bands (ev): -15.8396 -15.8396 -15.7616 -15.7616 -15.6814 -15.6814 -15.6372 -15.6372 -13.5589 -13.5589 -13.5129 -13.5129 -13.4584 -13.4584 -13.4382 -13.4382 -3.8470 -3.8470 -3.8251 -3.8251 -3.6020 -3.6020 -3.4869 -3.4869 -3.3985 -3.3985 -3.0991 -3.0991 -2.8866 -2.8866 -2.8128 -2.8128 -2.7178 -2.7178 -2.6531 -2.6531 -2.6234 -2.6234 -2.5396 -2.5396 -2.3276 -2.3276 -2.2408 -2.2408 -1.7637 -1.7637 -1.7082 -1.7082 -1.6781 -1.6781 -1.4388 -1.4388 -1.3705 -1.3705 -1.2188 -1.2188 -0.8611 -0.8611 -0.7453 -0.7453 -0.6840 -0.6840 -0.5289 -0.5289 -0.3551 -0.3551 -0.3344 -0.3344 -0.3193 -0.3193 -0.2905 -0.2905 -0.1977 -0.1977 -0.0891 -0.0891 -0.0505 -0.0505 0.2676 0.2676 0.7499 0.7499 0.7920 0.7920 6.8172 6.8172 7.3132 7.3132 k = 0.4186-0.0000-0.0000 ( 8114 PWs) bands (ev): -15.8377 -15.8377 -15.7607 -15.7607 -15.6806 -15.6806 -15.6365 -15.6365 -13.5570 -13.5570 -13.5063 -13.5063 -13.4560 -13.4560 -13.4386 -13.4386 -3.8506 -3.8506 -3.8267 -3.8267 -3.6076 -3.6076 -3.4800 -3.4800 -3.3999 -3.3999 -3.1001 -3.1001 -2.8904 -2.8904 -2.8243 -2.8243 -2.7233 -2.7233 -2.6591 -2.6591 -2.6297 -2.6297 -2.5431 -2.5431 -2.3180 -2.3180 -2.2381 -2.2381 -1.7896 -1.7896 -1.7002 -1.7002 -1.6978 -1.6978 -1.4370 -1.4370 -1.3678 -1.3678 -1.2150 -1.2150 -0.8652 -0.8652 -0.7515 -0.7515 -0.6862 -0.6862 -0.5132 -0.5132 -0.3582 -0.3582 -0.3374 -0.3374 -0.3261 -0.3261 -0.2980 -0.2980 -0.1974 -0.1974 -0.0959 -0.0959 -0.0508 -0.0508 0.2708 0.2708 0.7485 0.7485 0.7969 0.7969 6.8009 6.8009 7.3454 7.3454 k = 0.4302-0.0000-0.0000 ( 8110 PWs) bands (ev): -15.8360 -15.8360 -15.7599 -15.7599 -15.6799 -15.6799 -15.6359 -15.6359 -13.5553 -13.5553 -13.5003 -13.5003 -13.4538 -13.4538 -13.4393 -13.4393 -3.8539 -3.8539 -3.8289 -3.8289 -3.6118 -3.6118 -3.4739 -3.4739 -3.4009 -3.4009 -3.1010 -3.1010 -2.8939 -2.8939 -2.8347 -2.8347 -2.7282 -2.7282 -2.6672 -2.6672 -2.6333 -2.6333 -2.5458 -2.5458 -2.3077 -2.3077 -2.2348 -2.2348 -1.8129 -1.8129 -1.7178 -1.7178 -1.6916 -1.6916 -1.4355 -1.4355 -1.3653 -1.3653 -1.2116 -1.2116 -0.8691 -0.8691 -0.7567 -0.7567 -0.6884 -0.6884 -0.4985 -0.4985 -0.3615 -0.3615 -0.3415 -0.3415 -0.3309 -0.3309 -0.3045 -0.3045 -0.1971 -0.1971 -0.1022 -0.1022 -0.0511 -0.0511 0.2736 0.2736 0.7474 0.7474 0.8012 0.8012 6.7862 6.7862 7.3738 7.3738 k = 0.4419-0.0000-0.0000 ( 8104 PWs) bands (ev): -15.8346 -15.8346 -15.7593 -15.7593 -15.6792 -15.6792 -15.6353 -15.6353 -13.5538 -13.5538 -13.4947 -13.4947 -13.4520 -13.4520 -13.4402 -13.4402 -3.8569 -3.8569 -3.8313 -3.8313 -3.6149 -3.6149 -3.4686 -3.4686 -3.4017 -3.4017 -3.1016 -3.1016 -2.8969 -2.8969 -2.8437 -2.8437 -2.7325 -2.7325 -2.6758 -2.6758 -2.6350 -2.6350 -2.5479 -2.5479 -2.2975 -2.2975 -2.2310 -2.2310 -1.8333 -1.8333 -1.7350 -1.7350 -1.6849 -1.6849 -1.4343 -1.4343 -1.3631 -1.3631 -1.2085 -1.2085 -0.8728 -0.8728 -0.7610 -0.7610 -0.6903 -0.6903 -0.4848 -0.4848 -0.3652 -0.3652 -0.3452 -0.3452 -0.3344 -0.3344 -0.3103 -0.3103 -0.1968 -0.1968 -0.1080 -0.1080 -0.0512 -0.0512 0.2761 0.2761 0.7466 0.7466 0.8048 0.8048 6.7734 6.7734 7.3983 7.3983 k = 0.4535-0.0000-0.0000 ( 8110 PWs) bands (ev): -15.8334 -15.8334 -15.7587 -15.7587 -15.6787 -15.6787 -15.6349 -15.6349 -13.5526 -13.5526 -13.4898 -13.4898 -13.4504 -13.4504 -13.4413 -13.4413 -3.8594 -3.8594 -3.8338 -3.8338 -3.6170 -3.6170 -3.4644 -3.4644 -3.4021 -3.4021 -3.1022 -3.1022 -2.8995 -2.8995 -2.8511 -2.8511 -2.7362 -2.7362 -2.6838 -2.6838 -2.6360 -2.6360 -2.5495 -2.5495 -2.2880 -2.2880 -2.2270 -2.2270 -1.8507 -1.8507 -1.7501 -1.7501 -1.6793 -1.6793 -1.4334 -1.4334 -1.3613 -1.3613 -1.2058 -1.2058 -0.8761 -0.8761 -0.7644 -0.7644 -0.6920 -0.6920 -0.4727 -0.4727 -0.3693 -0.3693 -0.3477 -0.3477 -0.3373 -0.3373 -0.3152 -0.3152 -0.1965 -0.1965 -0.1130 -0.1130 -0.0514 -0.0514 0.2782 0.2782 0.7459 0.7459 0.8077 0.8077 6.7626 6.7626 7.4186 7.4186 k = 0.4651-0.0000-0.0000 ( 8112 PWs) bands (ev): -15.8325 -15.8325 -15.7583 -15.7583 -15.6783 -15.6783 -15.6345 -15.6345 -13.5516 -13.5516 -13.4857 -13.4857 -13.4492 -13.4492 -13.4424 -13.4424 -3.8615 -3.8615 -3.8359 -3.8359 -3.6185 -3.6185 -3.4611 -3.4611 -3.4024 -3.4024 -3.1026 -3.1026 -2.9017 -2.9017 -2.8569 -2.8569 -2.7392 -2.7392 -2.6904 -2.6904 -2.6365 -2.6365 -2.5507 -2.5507 -2.2799 -2.2799 -2.2234 -2.2234 -1.8646 -1.8646 -1.7625 -1.7625 -1.6749 -1.6749 -1.4327 -1.4327 -1.3598 -1.3598 -1.2037 -1.2037 -0.8787 -0.8787 -0.7670 -0.7670 -0.6933 -0.6933 -0.4624 -0.4624 -0.3733 -0.3733 -0.3489 -0.3489 -0.3400 -0.3400 -0.3193 -0.3193 -0.1963 -0.1963 -0.1170 -0.1170 -0.0515 -0.0515 0.2799 0.2799 0.7455 0.7455 0.8100 0.8100 6.7541 6.7541 7.4347 7.4347 k = 0.4767-0.0000-0.0000 ( 8126 PWs) bands (ev): -15.8319 -15.8319 -15.7580 -15.7580 -15.6780 -15.6780 -15.6343 -15.6343 -13.5509 -13.5509 -13.4825 -13.4825 -13.4484 -13.4484 -13.4435 -13.4435 -3.8630 -3.8630 -3.8376 -3.8376 -3.6193 -3.6193 -3.4588 -3.4588 -3.4025 -3.4025 -3.1029 -3.1029 -2.9034 -2.9034 -2.8609 -2.8609 -2.7414 -2.7414 -2.6954 -2.6954 -2.6368 -2.6368 -2.5515 -2.5515 -2.2737 -2.2737 -2.2203 -2.2203 -1.8748 -1.8748 -1.7719 -1.7719 -1.6717 -1.6717 -1.4322 -1.4322 -1.3588 -1.3588 -1.2021 -1.2021 -0.8807 -0.8807 -0.7689 -0.7689 -0.6943 -0.6943 -0.4545 -0.4545 -0.3766 -0.3766 -0.3492 -0.3492 -0.3425 -0.3425 -0.3223 -0.3223 -0.1962 -0.1962 -0.1201 -0.1201 -0.0515 -0.0515 0.2811 0.2811 0.7452 0.7452 0.8116 0.8116 6.7480 6.7480 7.4463 7.4463 k = 0.4884-0.0000-0.0000 ( 8120 PWs) bands (ev): -15.8315 -15.8315 -15.7578 -15.7578 -15.6778 -15.6778 -15.6341 -15.6341 -13.5505 -13.5505 -13.4805 -13.4805 -13.4478 -13.4478 -13.4442 -13.4442 -3.8639 -3.8639 -3.8387 -3.8387 -3.6198 -3.6198 -3.4574 -3.4574 -3.4025 -3.4025 -3.1031 -3.1031 -2.9044 -2.9044 -2.8634 -2.8634 -2.7428 -2.7428 -2.6984 -2.6984 -2.6369 -2.6369 -2.5520 -2.5520 -2.2699 -2.2699 -2.2183 -2.2183 -1.8810 -1.8810 -1.7776 -1.7776 -1.6698 -1.6698 -1.4319 -1.4319 -1.3581 -1.3581 -1.2012 -1.2012 -0.8819 -0.8819 -0.7700 -0.7700 -0.6949 -0.6949 -0.4494 -0.4494 -0.3787 -0.3787 -0.3490 -0.3490 -0.3444 -0.3444 -0.3243 -0.3243 -0.1960 -0.1960 -0.1219 -0.1219 -0.0516 -0.0516 0.2818 0.2818 0.7450 0.7450 0.8126 0.8126 6.7443 6.7443 7.4533 7.4533 k = 0.5000-0.0000-0.0000 ( 8132 PWs) bands (ev): -15.8313 -15.8313 -15.7578 -15.7578 -15.6778 -15.6778 -15.6341 -15.6341 -13.5504 -13.5504 -13.4798 -13.4798 -13.4477 -13.4477 -13.4445 -13.4445 -3.8643 -3.8643 -3.8391 -3.8391 -3.6200 -3.6200 -3.4570 -3.4570 -3.4025 -3.4025 -3.1032 -3.1032 -2.9048 -2.9048 -2.8642 -2.8642 -2.7433 -2.7433 -2.6994 -2.6994 -2.6370 -2.6370 -2.5521 -2.5521 -2.2686 -2.2686 -2.2175 -2.2175 -1.8831 -1.8831 -1.7796 -1.7796 -1.6692 -1.6692 -1.4318 -1.4318 -1.3579 -1.3579 -1.2009 -1.2009 -0.8823 -0.8823 -0.7704 -0.7704 -0.6951 -0.6951 -0.4476 -0.4476 -0.3795 -0.3795 -0.3487 -0.3487 -0.3452 -0.3452 -0.3249 -0.3249 -0.1960 -0.1960 -0.1226 -0.1226 -0.0516 -0.0516 0.2820 0.2820 0.7449 0.7449 0.8129 0.8129 6.7430 6.7430 7.4557 7.4557 k = 0.5000-0.0000-0.0000 ( 8132 PWs) bands (ev): -15.8313 -15.8313 -15.7578 -15.7578 -15.6778 -15.6778 -15.6341 -15.6341 -13.5504 -13.5504 -13.4798 -13.4798 -13.4477 -13.4477 -13.4445 -13.4445 -3.8643 -3.8643 -3.8391 -3.8391 -3.6200 -3.6200 -3.4570 -3.4570 -3.4025 -3.4025 -3.1032 -3.1032 -2.9048 -2.9048 -2.8642 -2.8642 -2.7433 -2.7433 -2.6994 -2.6994 -2.6370 -2.6370 -2.5521 -2.5521 -2.2686 -2.2686 -2.2175 -2.2175 -1.8831 -1.8831 -1.7796 -1.7796 -1.6692 -1.6692 -1.4318 -1.4318 -1.3579 -1.3579 -1.2009 -1.2009 -0.8823 -0.8823 -0.7704 -0.7704 -0.6951 -0.6951 -0.4476 -0.4476 -0.3795 -0.3795 -0.3487 -0.3487 -0.3452 -0.3452 -0.3249 -0.3249 -0.1960 -0.1960 -0.1226 -0.1226 -0.0516 -0.0516 0.2820 0.2820 0.7449 0.7449 0.8129 0.8129 6.7430 6.7430 7.4557 7.4557 k = 0.5000 0.0115-0.0000 ( 8132 PWs) bands (ev): -15.8312 -15.8312 -15.7579 -15.7579 -15.6777 -15.6777 -15.6342 -15.6342 -13.5502 -13.5502 -13.4798 -13.4798 -13.4478 -13.4478 -13.4445 -13.4445 -3.8649 -3.8649 -3.8398 -3.8398 -3.6198 -3.6198 -3.4573 -3.4573 -3.4023 -3.4023 -3.1036 -3.1036 -2.9035 -2.9035 -2.8630 -2.8630 -2.7431 -2.7431 -2.6996 -2.6996 -2.6369 -2.6369 -2.5524 -2.5524 -2.2680 -2.2680 -2.2173 -2.2173 -1.8830 -1.8830 -1.7798 -1.7798 -1.6691 -1.6691 -1.4315 -1.4315 -1.3591 -1.3591 -1.2013 -1.2013 -0.8832 -0.8832 -0.7704 -0.7704 -0.6938 -0.6938 -0.4471 -0.4471 -0.3791 -0.3791 -0.3489 -0.3489 -0.3451 -0.3451 -0.3244 -0.3244 -0.1956 -0.1956 -0.1227 -0.1227 -0.0520 -0.0520 0.2813 0.2813 0.7439 0.7439 0.8122 0.8122 6.7425 6.7425 7.4536 7.4536 k = 0.5000 0.0229-0.0000 ( 8120 PWs) bands (ev): -15.8310 -15.8310 -15.7581 -15.7581 -15.6776 -15.6776 -15.6343 -15.6343 -13.5499 -13.5499 -13.4797 -13.4797 -13.4481 -13.4481 -13.4446 -13.4446 -3.8668 -3.8668 -3.8419 -3.8419 -3.6194 -3.6194 -3.4582 -3.4582 -3.4016 -3.4016 -3.1047 -3.1047 -2.8996 -2.8996 -2.8596 -2.8596 -2.7425 -2.7425 -2.7003 -2.7003 -2.6364 -2.6364 -2.5531 -2.5531 -2.2667 -2.2667 -2.2165 -2.2165 -1.8827 -1.8827 -1.7804 -1.7804 -1.6688 -1.6688 -1.4306 -1.4306 -1.3625 -1.3625 -1.2024 -1.2024 -0.8857 -0.8857 -0.7703 -0.7703 -0.6898 -0.6898 -0.4455 -0.4455 -0.3779 -0.3779 -0.3495 -0.3495 -0.3448 -0.3448 -0.3227 -0.3227 -0.1942 -0.1942 -0.1230 -0.1230 -0.0533 -0.0533 0.2792 0.2792 0.7408 0.7408 0.8099 0.8099 6.7409 6.7409 7.4473 7.4473 k = 0.5000 0.0344-0.0000 ( 8116 PWs) bands (ev): -15.8305 -15.8305 -15.7586 -15.7586 -15.6773 -15.6773 -15.6346 -15.6346 -13.5492 -13.5492 -13.4795 -13.4795 -13.4487 -13.4487 -13.4448 -13.4448 -3.8699 -3.8699 -3.8455 -3.8455 -3.6187 -3.6187 -3.4597 -3.4597 -3.4005 -3.4005 -3.1066 -3.1066 -2.8934 -2.8934 -2.8540 -2.8540 -2.7415 -2.7415 -2.7011 -2.7011 -2.6357 -2.6357 -2.5542 -2.5542 -2.2648 -2.2648 -2.2149 -2.2149 -1.8822 -1.8822 -1.7814 -1.7814 -1.6684 -1.6684 -1.4292 -1.4292 -1.3681 -1.3681 -1.2043 -1.2043 -0.8899 -0.8899 -0.7704 -0.7704 -0.6834 -0.6834 -0.4429 -0.4429 -0.3759 -0.3759 -0.3504 -0.3504 -0.3445 -0.3445 -0.3200 -0.3200 -0.1919 -0.1919 -0.1235 -0.1235 -0.0554 -0.0554 0.2757 0.2757 0.7358 0.7358 0.8060 0.8060 6.7384 6.7384 7.4372 7.4372 k = 0.5000 0.0458-0.0000 ( 8112 PWs) bands (ev): -15.8299 -15.8299 -15.7593 -15.7593 -15.6769 -15.6769 -15.6350 -15.6350 -13.5483 -13.5483 -13.4793 -13.4793 -13.4494 -13.4494 -13.4451 -13.4451 -3.8742 -3.8742 -3.8503 -3.8503 -3.6177 -3.6177 -3.4618 -3.4618 -3.3987 -3.3987 -3.1093 -3.1093 -2.8853 -2.8853 -2.8465 -2.8465 -2.7401 -2.7401 -2.7019 -2.7019 -2.6346 -2.6346 -2.5557 -2.5557 -2.2631 -2.2631 -2.2121 -2.2121 -1.8815 -1.8815 -1.7827 -1.7827 -1.6679 -1.6679 -1.4271 -1.4271 -1.3756 -1.3756 -1.2069 -1.2069 -0.8954 -0.8954 -0.7705 -0.7705 -0.6746 -0.6746 -0.4395 -0.4395 -0.3732 -0.3732 -0.3516 -0.3516 -0.3442 -0.3442 -0.3161 -0.3161 -0.1887 -0.1887 -0.1241 -0.1241 -0.0583 -0.0583 0.2709 0.2709 0.7289 0.7289 0.8007 0.8007 6.7353 6.7353 7.4235 7.4235 k = 0.5000 0.0573-0.0000 ( 8120 PWs) bands (ev): -15.8291 -15.8291 -15.7601 -15.7601 -15.6764 -15.6764 -15.6355 -15.6355 -13.5472 -13.5472 -13.4791 -13.4791 -13.4504 -13.4504 -13.4454 -13.4454 -3.8794 -3.8794 -3.8563 -3.8563 -3.6164 -3.6164 -3.4646 -3.4646 -3.3962 -3.3962 -3.1128 -3.1128 -2.8759 -2.8759 -2.8374 -2.8374 -2.7382 -2.7382 -2.7022 -2.7022 -2.6331 -2.6331 -2.5575 -2.5575 -2.2621 -2.2621 -2.2078 -2.2078 -1.8805 -1.8805 -1.7845 -1.7845 -1.6671 -1.6671 -1.4245 -1.4245 -1.3849 -1.3849 -1.2102 -1.2102 -0.9020 -0.9020 -0.7708 -0.7708 -0.6638 -0.6638 -0.4354 -0.4354 -0.3700 -0.3700 -0.3531 -0.3531 -0.3439 -0.3439 -0.3109 -0.3109 -0.1848 -0.1848 -0.1248 -0.1248 -0.0620 -0.0620 0.2646 0.2646 0.7204 0.7204 0.7941 0.7941 6.7319 6.7319 7.4067 7.4067 k = 0.5000 0.0687-0.0000 ( 8132 PWs) bands (ev): -15.8281 -15.8281 -15.7612 -15.7612 -15.6758 -15.6758 -15.6361 -15.6361 -13.5459 -13.5459 -13.4789 -13.4789 -13.4516 -13.4516 -13.4458 -13.4458 -3.8855 -3.8855 -3.8632 -3.8632 -3.6148 -3.6148 -3.4679 -3.4679 -3.3930 -3.3930 -3.1170 -3.1170 -2.8659 -2.8659 -2.8274 -2.8274 -2.7361 -2.7361 -2.7010 -2.7010 -2.6310 -2.6310 -2.5594 -2.5594 -2.2623 -2.2623 -2.2021 -2.2021 -1.8793 -1.8793 -1.7866 -1.7866 -1.6661 -1.6661 -1.4214 -1.4214 -1.3957 -1.3957 -1.2140 -1.2140 -0.9093 -0.9093 -0.7714 -0.7714 -0.6514 -0.6514 -0.4308 -0.4308 -0.3668 -0.3668 -0.3544 -0.3544 -0.3437 -0.3437 -0.3045 -0.3045 -0.1802 -0.1802 -0.1255 -0.1255 -0.0664 -0.0664 0.2571 0.2571 0.7104 0.7104 0.7860 0.7860 6.7286 6.7286 7.3871 7.3871 k = 0.5000 0.0802-0.0000 ( 8124 PWs) bands (ev): -15.8270 -15.8270 -15.7624 -15.7624 -15.6751 -15.6751 -15.6368 -15.6368 -13.5443 -13.5443 -13.4786 -13.4786 -13.4529 -13.4529 -13.4463 -13.4463 -3.8922 -3.8922 -3.8709 -3.8709 -3.6129 -3.6129 -3.4718 -3.4718 -3.3889 -3.3889 -3.1218 -3.1218 -2.8561 -2.8561 -2.8169 -2.8169 -2.7338 -2.7338 -2.6975 -2.6975 -2.6280 -2.6280 -2.5614 -2.5614 -2.2639 -2.2639 -2.1951 -2.1951 -1.8778 -1.8778 -1.7890 -1.7890 -1.6649 -1.6649 -1.4178 -1.4178 -1.4077 -1.4077 -1.2183 -1.2183 -0.9170 -0.9170 -0.7722 -0.7722 -0.6377 -0.6377 -0.4260 -0.4260 -0.3647 -0.3647 -0.3547 -0.3547 -0.3433 -0.3433 -0.2967 -0.2967 -0.1749 -0.1749 -0.1261 -0.1261 -0.0715 -0.0715 0.2481 0.2481 0.6992 0.6992 0.7768 0.7768 6.7257 6.7257 7.3652 7.3652 k = 0.5000 0.0916-0.0000 ( 8120 PWs) bands (ev): -15.8257 -15.8257 -15.7638 -15.7638 -15.6743 -15.6743 -15.6376 -15.6376 -13.5424 -13.5424 -13.4783 -13.4783 -13.4544 -13.4544 -13.4469 -13.4469 -3.8995 -3.8995 -3.8791 -3.8791 -3.6107 -3.6107 -3.4760 -3.4760 -3.3841 -3.3841 -3.1273 -3.1273 -2.8470 -2.8470 -2.8069 -2.8069 -2.7312 -2.7312 -2.6912 -2.6912 -2.6238 -2.6238 -2.5634 -2.5634 -2.2666 -2.2666 -2.1875 -2.1875 -1.8761 -1.8761 -1.7917 -1.7917 -1.6634 -1.6634 -1.4207 -1.4207 -1.4135 -1.4135 -1.2230 -1.2230 -0.9246 -0.9246 -0.7733 -0.7733 -0.6231 -0.6231 -0.4211 -0.4211 -0.3651 -0.3651 -0.3533 -0.3533 -0.3421 -0.3421 -0.2875 -0.2875 -0.1693 -0.1693 -0.1265 -0.1265 -0.0773 -0.0773 0.2379 0.2379 0.6871 0.6871 0.7664 0.7664 6.7236 6.7236 7.3413 7.3413 k = 0.5000 0.1031-0.0000 ( 8108 PWs) bands (ev): -15.8242 -15.8242 -15.7653 -15.7653 -15.6735 -15.6735 -15.6385 -15.6385 -13.5404 -13.5404 -13.4781 -13.4781 -13.4559 -13.4559 -13.4475 -13.4475 -3.9070 -3.9070 -3.8878 -3.8878 -3.6082 -3.6082 -3.4807 -3.4807 -3.3785 -3.3785 -3.1335 -3.1335 -2.8394 -2.8394 -2.7982 -2.7982 -2.7277 -2.7277 -2.6824 -2.6824 -2.6178 -2.6178 -2.5653 -2.5653 -2.2703 -2.2703 -2.1798 -2.1798 -1.8741 -1.8741 -1.7946 -1.7946 -1.6616 -1.6616 -1.4342 -1.4342 -1.4090 -1.4090 -1.2283 -1.2283 -0.9319 -0.9319 -0.7749 -0.7749 -0.6079 -0.6079 -0.4164 -0.4164 -0.3675 -0.3675 -0.3520 -0.3520 -0.3391 -0.3391 -0.2770 -0.2770 -0.1632 -0.1632 -0.1266 -0.1266 -0.0836 -0.0836 0.2264 0.2264 0.6745 0.6745 0.7550 0.7550 6.7227 6.7227 7.3155 7.3155 k = 0.5000 0.1146-0.0000 ( 8108 PWs) bands (ev): -15.8226 -15.8226 -15.7670 -15.7670 -15.6725 -15.6725 -15.6395 -15.6395 -13.5382 -13.5382 -13.4780 -13.4780 -13.4575 -13.4575 -13.4482 -13.4482 -3.9147 -3.9147 -3.8967 -3.8967 -3.6054 -3.6054 -3.4856 -3.4856 -3.3721 -3.3721 -3.1403 -3.1403 -2.8333 -2.8333 -2.7919 -2.7919 -2.7220 -2.7220 -2.6725 -2.6725 -2.6092 -2.6092 -2.5670 -2.5670 -2.2748 -2.2748 -2.1726 -2.1726 -1.8718 -1.8718 -1.7978 -1.7978 -1.6595 -1.6595 -1.4482 -1.4482 -1.4039 -1.4039 -1.2339 -1.2339 -0.9384 -0.9384 -0.7769 -0.7769 -0.5926 -0.5926 -0.4121 -0.4121 -0.3707 -0.3707 -0.3523 -0.3523 -0.3339 -0.3339 -0.2650 -0.2650 -0.1570 -0.1570 -0.1263 -0.1263 -0.0904 -0.0904 0.2137 0.2137 0.6615 0.6615 0.7428 0.7428 6.7234 6.7234 7.2882 7.2882 k = 0.5000 0.1260-0.0000 ( 8112 PWs) bands (ev): -15.8208 -15.8208 -15.7688 -15.7688 -15.6714 -15.6714 -15.6405 -15.6405 -13.5358 -13.5358 -13.4780 -13.4780 -13.4591 -13.4591 -13.4489 -13.4489 -3.9224 -3.9224 -3.9057 -3.9057 -3.6023 -3.6023 -3.4908 -3.4908 -3.3651 -3.3651 -3.1477 -3.1477 -2.8288 -2.8288 -2.7885 -2.7885 -2.7135 -2.7135 -2.6632 -2.6632 -2.5970 -2.5970 -2.5685 -2.5685 -2.2798 -2.2798 -2.1664 -2.1664 -1.8694 -1.8694 -1.8012 -1.8012 -1.6570 -1.6570 -1.4624 -1.4624 -1.3985 -1.3985 -1.2398 -1.2398 -0.9436 -0.9436 -0.7796 -0.7796 -0.5773 -0.5773 -0.4083 -0.4083 -0.3746 -0.3746 -0.3537 -0.3537 -0.3273 -0.3273 -0.2516 -0.2516 -0.1508 -0.1508 -0.1256 -0.1256 -0.0974 -0.0974 0.1998 0.1998 0.6487 0.6487 0.7299 0.7299 6.7259 6.7259 7.2596 7.2596 k = 0.5000 0.1375-0.0000 ( 8112 PWs) bands (ev): -15.8190 -15.8190 -15.7708 -15.7708 -15.6703 -15.6703 -15.6417 -15.6417 -13.5332 -13.5332 -13.4783 -13.4783 -13.4605 -13.4605 -13.4497 -13.4497 -3.9298 -3.9298 -3.9145 -3.9145 -3.5989 -3.5989 -3.4961 -3.4961 -3.3574 -3.3574 -3.1556 -3.1556 -2.8256 -2.8256 -2.7878 -2.7878 -2.7024 -2.7024 -2.6553 -2.6553 -2.5814 -2.5814 -2.5694 -2.5694 -2.2851 -2.2851 -2.1617 -2.1617 -1.8667 -1.8667 -1.8047 -1.8047 -1.6542 -1.6542 -1.4767 -1.4767 -1.3927 -1.3927 -1.2461 -1.2461 -0.9474 -0.9474 -0.7830 -0.7830 -0.5623 -0.5623 -0.4053 -0.4053 -0.3788 -0.3788 -0.3558 -0.3558 -0.3198 -0.3198 -0.2372 -0.2372 -0.1448 -0.1448 -0.1245 -0.1245 -0.1043 -0.1043 0.1848 0.1848 0.6364 0.6364 0.7164 0.7164 6.7305 6.7305 7.2297 7.2297 k = 0.5000 0.1489-0.0000 ( 8100 PWs) bands (ev): -15.8169 -15.8169 -15.7729 -15.7729 -15.6691 -15.6691 -15.6429 -15.6429 -13.5304 -13.5304 -13.4789 -13.4789 -13.4617 -13.4617 -13.4506 -13.4506 -3.9369 -3.9369 -3.9230 -3.9230 -3.5953 -3.5953 -3.5016 -3.5016 -3.3491 -3.3491 -3.1641 -3.1641 -2.8234 -2.8234 -2.7889 -2.7889 -2.6898 -2.6898 -2.6491 -2.6491 -2.5699 -2.5699 -2.5631 -2.5631 -2.2903 -2.2903 -2.1589 -2.1589 -1.8638 -1.8638 -1.8084 -1.8084 -1.6509 -1.6509 -1.4908 -1.4908 -1.3865 -1.3865 -1.2527 -1.2527 -0.9493 -0.9493 -0.7874 -0.7874 -0.5478 -0.5478 -0.4030 -0.4030 -0.3834 -0.3834 -0.3584 -0.3584 -0.3117 -0.3117 -0.2219 -0.2219 -0.1391 -0.1391 -0.1232 -0.1232 -0.1105 -0.1105 0.1686 0.1686 0.6249 0.6249 0.7025 0.7025 6.7374 6.7374 7.1988 7.1988 k = 0.5000 0.1604-0.0000 ( 8096 PWs) bands (ev): -15.8148 -15.8148 -15.7751 -15.7751 -15.6678 -15.6678 -15.6442 -15.6442 -13.5276 -13.5276 -13.4800 -13.4800 -13.4626 -13.4626 -13.4515 -13.4515 -3.9436 -3.9436 -3.9311 -3.9311 -3.5914 -3.5914 -3.5072 -3.5072 -3.3403 -3.3403 -3.1730 -3.1730 -2.8219 -2.8219 -2.7911 -2.7911 -2.6768 -2.6768 -2.6440 -2.6440 -2.5692 -2.5692 -2.5439 -2.5439 -2.2949 -2.2949 -2.1583 -2.1583 -1.8609 -1.8609 -1.8120 -1.8120 -1.6471 -1.6471 -1.5046 -1.5046 -1.3800 -1.3800 -1.2596 -1.2596 -0.9492 -0.9492 -0.7928 -0.7928 -0.5338 -0.5338 -0.4014 -0.4014 -0.3883 -0.3883 -0.3615 -0.3615 -0.3032 -0.3032 -0.2066 -0.2066 -0.1344 -0.1344 -0.1223 -0.1223 -0.1142 -0.1142 0.1514 0.1514 0.6145 0.6145 0.6886 0.6886 6.7468 6.7468 7.1671 7.1671 k = 0.5000 0.1718-0.0000 ( 8098 PWs) bands (ev): -15.8126 -15.8126 -15.7774 -15.7774 -15.6665 -15.6665 -15.6456 -15.6456 -13.5245 -13.5245 -13.4816 -13.4816 -13.4631 -13.4631 -13.4524 -13.4524 -3.9496 -3.9496 -3.9386 -3.9386 -3.5872 -3.5872 -3.5128 -3.5128 -3.3310 -3.3310 -3.1825 -3.1825 -2.8208 -2.8208 -2.7940 -2.7940 -2.6645 -2.6645 -2.6395 -2.6395 -2.5671 -2.5671 -2.5252 -2.5252 -2.2982 -2.2982 -2.1601 -2.1601 -1.8579 -1.8579 -1.8157 -1.8157 -1.6428 -1.6428 -1.5181 -1.5181 -1.3733 -1.3733 -1.2667 -1.2667 -0.9469 -0.9469 -0.7994 -0.7994 -0.5205 -0.5205 -0.4010 -0.4010 -0.3930 -0.3930 -0.3648 -0.3648 -0.2941 -0.2941 -0.1929 -0.1929 -0.1311 -0.1311 -0.1214 -0.1214 -0.1143 -0.1143 0.1332 0.1332 0.6056 0.6056 0.6746 0.6746 6.7587 6.7587 7.1346 7.1346 k = 0.5000 0.1833-0.0000 ( 8106 PWs) bands (ev): -15.8103 -15.8103 -15.7797 -15.7797 -15.6651 -15.6651 -15.6470 -15.6470 -13.5214 -13.5214 -13.4836 -13.4836 -13.4632 -13.4632 -13.4533 -13.4533 -3.9549 -3.9549 -3.9454 -3.9454 -3.5828 -3.5828 -3.5186 -3.5186 -3.3212 -3.3212 -3.1923 -3.1923 -2.8200 -2.8200 -2.7971 -2.7971 -2.6540 -2.6540 -2.6354 -2.6354 -2.5631 -2.5631 -2.5087 -2.5087 -2.2993 -2.2993 -2.1644 -2.1644 -1.8549 -1.8549 -1.8192 -1.8192 -1.6380 -1.6380 -1.5311 -1.5311 -1.3662 -1.3662 -1.2741 -1.2741 -0.9423 -0.9423 -0.8073 -0.8073 -0.5078 -0.5078 -0.4031 -0.4031 -0.3959 -0.3959 -0.3684 -0.3684 -0.2847 -0.2847 -0.1841 -0.1841 -0.1267 -0.1267 -0.1185 -0.1185 -0.1122 -0.1122 0.1142 0.1142 0.5984 0.5984 0.6609 0.6609 6.7732 6.7732 7.1017 7.1017 k = 0.5000 0.1948-0.0000 ( 8092 PWs) bands (ev): -15.8079 -15.8079 -15.7822 -15.7822 -15.6637 -15.6637 -15.6484 -15.6484 -13.5182 -13.5182 -13.4860 -13.4860 -13.4629 -13.4629 -13.4543 -13.4543 -3.9595 -3.9595 -3.9515 -3.9515 -3.5782 -3.5782 -3.5243 -3.5243 -3.3110 -3.3110 -3.2025 -3.2025 -2.8192 -2.8192 -2.8003 -2.8003 -2.6460 -2.6460 -2.6316 -2.6316 -2.5566 -2.5566 -2.4958 -2.4958 -2.2973 -2.2973 -2.1713 -2.1713 -1.8520 -1.8520 -1.8227 -1.8227 -1.6327 -1.6327 -1.5436 -1.5436 -1.3590 -1.3590 -1.2815 -1.2815 -0.9356 -0.9356 -0.8165 -0.8165 -0.4959 -0.4959 -0.4082 -0.4082 -0.3962 -0.3962 -0.3721 -0.3721 -0.2750 -0.2750 -0.1827 -0.1827 -0.1168 -0.1168 -0.1149 -0.1149 -0.1089 -0.1089 0.0943 0.0943 0.5931 0.5931 0.6478 0.6478 6.7903 6.7903 7.0686 7.0686 k = 0.5000 0.2062-0.0000 ( 8094 PWs) bands (ev): -15.8054 -15.8054 -15.7847 -15.7847 -15.6622 -15.6622 -15.6499 -15.6499 -13.5149 -13.5149 -13.4888 -13.4888 -13.4625 -13.4625 -13.4553 -13.4553 -3.9631 -3.9631 -3.9567 -3.9567 -3.5734 -3.5734 -3.5300 -3.5300 -3.3005 -3.3005 -3.2129 -3.2129 -2.8184 -2.8184 -2.8033 -2.8033 -2.6401 -2.6401 -2.6287 -2.6287 -2.5476 -2.5476 -2.4878 -2.4878 -2.2914 -2.2914 -2.1806 -2.1806 -1.8492 -1.8492 -1.8261 -1.8261 -1.6267 -1.6267 -1.5555 -1.5555 -1.3515 -1.3515 -1.2892 -1.2892 -0.9269 -0.9269 -0.8271 -0.8271 -0.4846 -0.4846 -0.4145 -0.4145 -0.3957 -0.3957 -0.3758 -0.3758 -0.2650 -0.2650 -0.1872 -0.1872 -0.1114 -0.1114 -0.1091 -0.1091 -0.0978 -0.0978 0.0737 0.0737 0.5898 0.5898 0.6354 0.6354 6.8099 6.8099 7.0356 7.0356 k = 0.5000 0.2177-0.0000 ( 8090 PWs) bands (ev): -15.8029 -15.8029 -15.7873 -15.7873 -15.6607 -15.6607 -15.6514 -15.6514 -13.5115 -13.5115 -13.4917 -13.4917 -13.4618 -13.4618 -13.4563 -13.4563 -3.9658 -3.9658 -3.9610 -3.9610 -3.5685 -3.5685 -3.5358 -3.5358 -3.2898 -3.2898 -3.2237 -3.2237 -2.8174 -2.8174 -2.8062 -2.8062 -2.6359 -2.6359 -2.6270 -2.6270 -2.5368 -2.5368 -2.4851 -2.4851 -2.2815 -2.2815 -2.1922 -2.1922 -1.8464 -1.8464 -1.8293 -1.8293 -1.6201 -1.6201 -1.5667 -1.5667 -1.3439 -1.3439 -1.2969 -1.2969 -0.9164 -0.9164 -0.8388 -0.8388 -0.4739 -0.4739 -0.4215 -0.4215 -0.3947 -0.3947 -0.3795 -0.3795 -0.2548 -0.2548 -0.1947 -0.1947 -0.1085 -0.1085 -0.1066 -0.1066 -0.0788 -0.0788 0.0524 0.0524 0.5887 0.5887 0.6240 0.6240 6.8318 6.8318 7.0030 7.0030 k = 0.5000 0.2291-0.0000 ( 8082 PWs) bands (ev): -15.8003 -15.8003 -15.7899 -15.7899 -15.6591 -15.6591 -15.6529 -15.6529 -13.5082 -13.5082 -13.4948 -13.4948 -13.4610 -13.4610 -13.4573 -13.4573 -3.9676 -3.9676 -3.9644 -3.9644 -3.5633 -3.5633 -3.5414 -3.5414 -3.2789 -3.2789 -3.2346 -3.2346 -2.8162 -2.8162 -2.8088 -2.8088 -2.6327 -2.6327 -2.6264 -2.6264 -2.5250 -2.5250 -2.4873 -2.4873 -2.2684 -2.2684 -2.2058 -2.2058 -1.8437 -1.8437 -1.8324 -1.8324 -1.6129 -1.6129 -1.5773 -1.5773 -1.3362 -1.3362 -1.3048 -1.3048 -0.9045 -0.9045 -0.8514 -0.8514 -0.4638 -0.4638 -0.4289 -0.4289 -0.3932 -0.3932 -0.3829 -0.3829 -0.2445 -0.2445 -0.2038 -0.2038 -0.1062 -0.1062 -0.1050 -0.1050 -0.0578 -0.0578 0.0307 0.0307 0.5897 0.5897 0.6138 0.6138 6.8561 6.8561 6.9711 6.9711 k = 0.5000 0.2406-0.0000 ( 8072 PWs) bands (ev): -15.7977 -15.7977 -15.7925 -15.7925 -15.6576 -15.6576 -15.6545 -15.6545 -13.5048 -13.5048 -13.4981 -13.4981 -13.4602 -13.4602 -13.4583 -13.4583 -3.9683 -3.9683 -3.9667 -3.9667 -3.5580 -3.5580 -3.5470 -3.5470 -3.2678 -3.2678 -3.2456 -3.2456 -2.8148 -2.8148 -2.8111 -2.8111 -2.6301 -2.6301 -2.6269 -2.6269 -2.5133 -2.5133 -2.4934 -2.4934 -2.2531 -2.2531 -2.2209 -2.2209 -1.8409 -1.8409 -1.8353 -1.8353 -1.6050 -1.6050 -1.5873 -1.5873 -1.3284 -1.3284 -1.3127 -1.3127 -0.8917 -0.8917 -0.8647 -0.8647 -0.4543 -0.4543 -0.4369 -0.4369 -0.3913 -0.3913 -0.3861 -0.3861 -0.2341 -0.2341 -0.2136 -0.2136 -0.1047 -0.1047 -0.1041 -0.1041 -0.0359 -0.0359 0.0086 0.0086 0.5929 0.5929 0.6051 0.6051 6.8823 6.8823 6.9401 6.9401 k = 0.5000 0.2520-0.0000 ( 8080 PWs) bands (ev): -15.7951 -15.7951 -15.7951 -15.7951 -15.6560 -15.6560 -15.6560 -15.6560 -13.5014 -13.5014 -13.5014 -13.5014 -13.4593 -13.4593 -13.4593 -13.4593 -3.9680 -3.9680 -3.9680 -3.9680 -3.5526 -3.5526 -3.5526 -3.5526 -3.2567 -3.2567 -3.2567 -3.2567 -2.8131 -2.8131 -2.8131 -2.8131 -2.6282 -2.6282 -2.6282 -2.6282 -2.5024 -2.5024 -2.5024 -2.5024 -2.2370 -2.2370 -2.2370 -2.2370 -1.8381 -1.8381 -1.8381 -1.8381 -1.5965 -1.5965 -1.5965 -1.5965 -1.3205 -1.3205 -1.3205 -1.3205 -0.8783 -0.8783 -0.8783 -0.8783 -0.4454 -0.4454 -0.4454 -0.4454 -0.3889 -0.3889 -0.3889 -0.3889 -0.2237 -0.2237 -0.2237 -0.2237 -0.1040 -0.1040 -0.1040 -0.1040 -0.0137 -0.0137 -0.0137 -0.0137 0.5981 0.5981 0.5981 0.5981 6.9104 6.9104 6.9104 6.9104 k = 0.5000 0.2520-0.0000 ( 8080 PWs) bands (ev): -15.7951 -15.7951 -15.7951 -15.7951 -15.6560 -15.6560 -15.6560 -15.6560 -13.5014 -13.5014 -13.5014 -13.5014 -13.4593 -13.4593 -13.4593 -13.4593 -3.9680 -3.9680 -3.9680 -3.9680 -3.5526 -3.5526 -3.5526 -3.5526 -3.2567 -3.2567 -3.2567 -3.2567 -2.8131 -2.8131 -2.8131 -2.8131 -2.6282 -2.6282 -2.6282 -2.6282 -2.5024 -2.5024 -2.5024 -2.5024 -2.2370 -2.2370 -2.2370 -2.2370 -1.8381 -1.8381 -1.8381 -1.8381 -1.5965 -1.5965 -1.5965 -1.5965 -1.3205 -1.3205 -1.3205 -1.3205 -0.8783 -0.8783 -0.8783 -0.8783 -0.4454 -0.4454 -0.4454 -0.4454 -0.3889 -0.3889 -0.3889 -0.3889 -0.2237 -0.2237 -0.2237 -0.2237 -0.1040 -0.1040 -0.1040 -0.1040 -0.0137 -0.0137 -0.0137 -0.0137 0.5981 0.5981 0.5981 0.5981 6.9104 6.9104 6.9104 6.9104 k = 0.4884 0.2520-0.0000 ( 8060 PWs) bands (ev): -15.7952 -15.7952 -15.7952 -15.7952 -15.6561 -15.6561 -15.6561 -15.6561 -13.5016 -13.5016 -13.5016 -13.5016 -13.4594 -13.4594 -13.4594 -13.4594 -3.9675 -3.9675 -3.9675 -3.9675 -3.5524 -3.5524 -3.5524 -3.5524 -3.2566 -3.2566 -3.2566 -3.2566 -2.8130 -2.8130 -2.8130 -2.8130 -2.6282 -2.6282 -2.6282 -2.6282 -2.5017 -2.5017 -2.5017 -2.5017 -2.2380 -2.2380 -2.2380 -2.2380 -1.8362 -1.8362 -1.8362 -1.8362 -1.5968 -1.5968 -1.5968 -1.5968 -1.3207 -1.3207 -1.3207 -1.3207 -0.8785 -0.8785 -0.8785 -0.8785 -0.4452 -0.4452 -0.4452 -0.4452 -0.3889 -0.3889 -0.3889 -0.3889 -0.2238 -0.2238 -0.2238 -0.2238 -0.1041 -0.1041 -0.1041 -0.1041 -0.0132 -0.0132 -0.0132 -0.0132 0.5986 0.5986 0.5986 0.5986 6.9109 6.9109 6.9109 6.9109 k = 0.4767 0.2520-0.0000 ( 8068 PWs) bands (ev): -15.7955 -15.7955 -15.7955 -15.7955 -15.6563 -15.6563 -15.6563 -15.6563 -13.5023 -13.5023 -13.5023 -13.5023 -13.4599 -13.4599 -13.4599 -13.4599 -3.9659 -3.9659 -3.9659 -3.9659 -3.5518 -3.5518 -3.5518 -3.5518 -3.2563 -3.2563 -3.2563 -3.2563 -2.8126 -2.8126 -2.8126 -2.8126 -2.6281 -2.6281 -2.6281 -2.6281 -2.4996 -2.4996 -2.4996 -2.4996 -2.2412 -2.2412 -2.2412 -2.2412 -1.8307 -1.8307 -1.8307 -1.8307 -1.5976 -1.5976 -1.5976 -1.5976 -1.3213 -1.3213 -1.3213 -1.3213 -0.8793 -0.8793 -0.8793 -0.8793 -0.4449 -0.4449 -0.4449 -0.4449 -0.3891 -0.3891 -0.3891 -0.3891 -0.2241 -0.2241 -0.2241 -0.2241 -0.1043 -0.1043 -0.1043 -0.1043 -0.0117 -0.0117 -0.0117 -0.0117 0.6002 0.6002 0.6002 0.6002 6.9122 6.9122 6.9122 6.9122 k = 0.4651 0.2520-0.0000 ( 8064 PWs) bands (ev): -15.7960 -15.7960 -15.7960 -15.7960 -15.6565 -15.6565 -15.6565 -15.6565 -13.5034 -13.5034 -13.5034 -13.5034 -13.4606 -13.4606 -13.4606 -13.4606 -3.9633 -3.9633 -3.9633 -3.9633 -3.5508 -3.5508 -3.5508 -3.5508 -3.2557 -3.2557 -3.2557 -3.2557 -2.8120 -2.8120 -2.8120 -2.8120 -2.6279 -2.6279 -2.6279 -2.6279 -2.4961 -2.4961 -2.4961 -2.4961 -2.2462 -2.2462 -2.2462 -2.2462 -1.8216 -1.8216 -1.8216 -1.8216 -1.5990 -1.5990 -1.5990 -1.5990 -1.3222 -1.3222 -1.3222 -1.3222 -0.8807 -0.8807 -0.8807 -0.8807 -0.4443 -0.4443 -0.4443 -0.4443 -0.3893 -0.3893 -0.3893 -0.3893 -0.2246 -0.2246 -0.2246 -0.2246 -0.1046 -0.1046 -0.1046 -0.1046 -0.0092 -0.0092 -0.0092 -0.0092 0.6028 0.6028 0.6028 0.6028 6.9143 6.9143 6.9143 6.9143 k = 0.4535 0.2520-0.0000 ( 8060 PWs) bands (ev): -15.7967 -15.7967 -15.7967 -15.7967 -15.6569 -15.6569 -15.6569 -15.6569 -13.5050 -13.5050 -13.5050 -13.5050 -13.4617 -13.4617 -13.4617 -13.4617 -3.9597 -3.9597 -3.9597 -3.9597 -3.5494 -3.5494 -3.5494 -3.5494 -3.2550 -3.2550 -3.2550 -3.2550 -2.8110 -2.8110 -2.8110 -2.8110 -2.6277 -2.6277 -2.6277 -2.6277 -2.4914 -2.4914 -2.4914 -2.4914 -2.2527 -2.2527 -2.2527 -2.2527 -1.8092 -1.8092 -1.8092 -1.8092 -1.6010 -1.6010 -1.6010 -1.6010 -1.3234 -1.3234 -1.3234 -1.3234 -0.8824 -0.8824 -0.8824 -0.8824 -0.4435 -0.4435 -0.4435 -0.4435 -0.3897 -0.3897 -0.3897 -0.3897 -0.2251 -0.2251 -0.2251 -0.2251 -0.1049 -0.1049 -0.1049 -0.1049 -0.0059 -0.0059 -0.0059 -0.0059 0.6064 0.6064 0.6064 0.6064 6.9171 6.9171 6.9171 6.9171 k = 0.4419 0.2520-0.0000 ( 8062 PWs) bands (ev): -15.7975 -15.7975 -15.7975 -15.7975 -15.6574 -15.6574 -15.6574 -15.6574 -13.5070 -13.5070 -13.5070 -13.5070 -13.4630 -13.4630 -13.4630 -13.4630 -3.9551 -3.9551 -3.9551 -3.9551 -3.5476 -3.5476 -3.5476 -3.5476 -3.2540 -3.2540 -3.2540 -3.2540 -2.8098 -2.8098 -2.8098 -2.8098 -2.6275 -2.6275 -2.6275 -2.6275 -2.4855 -2.4855 -2.4855 -2.4855 -2.2603 -2.2603 -2.2603 -2.2603 -1.7938 -1.7938 -1.7938 -1.7938 -1.6035 -1.6035 -1.6035 -1.6035 -1.3250 -1.3250 -1.3250 -1.3250 -0.8846 -0.8846 -0.8846 -0.8846 -0.4425 -0.4425 -0.4425 -0.4425 -0.3903 -0.3903 -0.3903 -0.3903 -0.2256 -0.2256 -0.2256 -0.2256 -0.1053 -0.1053 -0.1053 -0.1053 -0.0018 -0.0018 -0.0018 -0.0018 0.6109 0.6109 0.6109 0.6109 6.9206 6.9206 6.9206 6.9206 k = 0.4302 0.2520-0.0000 ( 8068 PWs) bands (ev): -15.7986 -15.7986 -15.7986 -15.7986 -15.6580 -15.6580 -15.6580 -15.6580 -13.5094 -13.5094 -13.5094 -13.5094 -13.4646 -13.4646 -13.4646 -13.4646 -3.9497 -3.9497 -3.9497 -3.9497 -3.5455 -3.5455 -3.5455 -3.5455 -3.2529 -3.2529 -3.2529 -3.2529 -2.8082 -2.8082 -2.8082 -2.8082 -2.6272 -2.6272 -2.6272 -2.6272 -2.4786 -2.4786 -2.4786 -2.4786 -2.2685 -2.2685 -2.2685 -2.2685 -1.7758 -1.7758 -1.7758 -1.7758 -1.6066 -1.6066 -1.6066 -1.6066 -1.3269 -1.3269 -1.3269 -1.3269 -0.8871 -0.8871 -0.8871 -0.8871 -0.4412 -0.4412 -0.4412 -0.4412 -0.3913 -0.3913 -0.3913 -0.3913 -0.2261 -0.2261 -0.2261 -0.2261 -0.1056 -0.1056 -0.1056 -0.1056 0.0030 0.0030 0.0030 0.0030 0.6164 0.6164 0.6164 0.6164 6.9248 6.9248 6.9248 6.9248 k = 0.4186 0.2520-0.0000 ( 8072 PWs) bands (ev): -15.7998 -15.7998 -15.7998 -15.7998 -15.6587 -15.6587 -15.6587 -15.6587 -13.5122 -13.5122 -13.5122 -13.5122 -13.4665 -13.4665 -13.4665 -13.4665 -3.9435 -3.9435 -3.9435 -3.9435 -3.5430 -3.5430 -3.5430 -3.5430 -3.2516 -3.2516 -3.2516 -3.2516 -2.8063 -2.8063 -2.8063 -2.8063 -2.6269 -2.6269 -2.6269 -2.6269 -2.4710 -2.4710 -2.4710 -2.4710 -2.2770 -2.2770 -2.2770 -2.2770 -1.7553 -1.7553 -1.7553 -1.7553 -1.6102 -1.6102 -1.6102 -1.6102 -1.3291 -1.3291 -1.3291 -1.3291 -0.8899 -0.8899 -0.8899 -0.8899 -0.4398 -0.4398 -0.4398 -0.4398 -0.3927 -0.3927 -0.3927 -0.3927 -0.2265 -0.2265 -0.2265 -0.2265 -0.1058 -0.1058 -0.1058 -0.1058 0.0084 0.0084 0.0084 0.0084 0.6227 0.6227 0.6227 0.6227 6.9293 6.9293 6.9293 6.9293 k = 0.4070 0.2520-0.0000 ( 8080 PWs) bands (ev): -15.8012 -15.8012 -15.8012 -15.8012 -15.6594 -15.6594 -15.6594 -15.6594 -13.5154 -13.5154 -13.5154 -13.5154 -13.4686 -13.4686 -13.4686 -13.4686 -3.9366 -3.9366 -3.9366 -3.9366 -3.5402 -3.5402 -3.5402 -3.5402 -3.2502 -3.2502 -3.2502 -3.2502 -2.8040 -2.8040 -2.8040 -2.8040 -2.6266 -2.6266 -2.6266 -2.6266 -2.4628 -2.4628 -2.4628 -2.4628 -2.2851 -2.2851 -2.2851 -2.2851 -1.7326 -1.7326 -1.7326 -1.7326 -1.6143 -1.6143 -1.6143 -1.6143 -1.3314 -1.3314 -1.3314 -1.3314 -0.8928 -0.8928 -0.8928 -0.8928 -0.4382 -0.4382 -0.4382 -0.4382 -0.3946 -0.3946 -0.3946 -0.3946 -0.2266 -0.2266 -0.2266 -0.2266 -0.1058 -0.1058 -0.1058 -0.1058 0.0142 0.0142 0.0142 0.0142 0.6298 0.6298 0.6298 0.6298 6.9342 6.9342 6.9342 6.9342 k = 0.3953 0.2520-0.0000 ( 8084 PWs) bands (ev): -15.8027 -15.8027 -15.8027 -15.8027 -15.6603 -15.6603 -15.6603 -15.6603 -13.5190 -13.5190 -13.5190 -13.5190 -13.4710 -13.4710 -13.4710 -13.4710 -3.9291 -3.9291 -3.9291 -3.9291 -3.5372 -3.5372 -3.5372 -3.5372 -3.2486 -3.2486 -3.2486 -3.2486 -2.8014 -2.8014 -2.8014 -2.8014 -2.6262 -2.6262 -2.6262 -2.6262 -2.4544 -2.4544 -2.4544 -2.4544 -2.2925 -2.2925 -2.2925 -2.2925 -1.7081 -1.7081 -1.7081 -1.7081 -1.6188 -1.6188 -1.6188 -1.6188 -1.3340 -1.3340 -1.3340 -1.3340 -0.8958 -0.8958 -0.8958 -0.8958 -0.4364 -0.4364 -0.4364 -0.4364 -0.3969 -0.3969 -0.3969 -0.3969 -0.2264 -0.2264 -0.2264 -0.2264 -0.1056 -0.1056 -0.1056 -0.1056 0.0204 0.0204 0.0204 0.0204 0.6375 0.6375 0.6375 0.6375 6.9393 6.9393 6.9393 6.9393 k = 0.3837 0.2520-0.0000 ( 8072 PWs) bands (ev): -15.8044 -15.8044 -15.8044 -15.8044 -15.6613 -15.6613 -15.6613 -15.6613 -13.5229 -13.5229 -13.5229 -13.5229 -13.4736 -13.4736 -13.4736 -13.4736 -3.9211 -3.9211 -3.9211 -3.9211 -3.5338 -3.5338 -3.5338 -3.5338 -3.2469 -3.2469 -3.2469 -3.2469 -2.7985 -2.7985 -2.7985 -2.7985 -2.6257 -2.6257 -2.6257 -2.6257 -2.4461 -2.4461 -2.4461 -2.4461 -2.2985 -2.2985 -2.2985 -2.2985 -1.6823 -1.6823 -1.6823 -1.6823 -1.6232 -1.6232 -1.6232 -1.6232 -1.3368 -1.3368 -1.3368 -1.3368 -0.8988 -0.8988 -0.8988 -0.8988 -0.4345 -0.4345 -0.4345 -0.4345 -0.3998 -0.3998 -0.3998 -0.3998 -0.2259 -0.2259 -0.2259 -0.2259 -0.1051 -0.1051 -0.1051 -0.1051 0.0268 0.0268 0.0268 0.0268 0.6459 0.6459 0.6459 0.6459 6.9443 6.9443 6.9443 6.9443 k = 0.3721 0.2520-0.0000 ( 8082 PWs) bands (ev): -15.8063 -15.8063 -15.8063 -15.8063 -15.6623 -15.6623 -15.6623 -15.6623 -13.5271 -13.5271 -13.5271 -13.5271 -13.4765 -13.4765 -13.4765 -13.4765 -3.9128 -3.9128 -3.9128 -3.9128 -3.5303 -3.5303 -3.5303 -3.5303 -3.2452 -3.2452 -3.2452 -3.2452 -2.7953 -2.7953 -2.7953 -2.7953 -2.6252 -2.6252 -2.6252 -2.6252 -2.4382 -2.4382 -2.4382 -2.4382 -2.3027 -2.3027 -2.3027 -2.3027 -1.6573 -1.6573 -1.6573 -1.6573 -1.6257 -1.6257 -1.6257 -1.6257 -1.3396 -1.3396 -1.3396 -1.3396 -0.9017 -0.9017 -0.9017 -0.9017 -0.4326 -0.4326 -0.4326 -0.4326 -0.4030 -0.4030 -0.4030 -0.4030 -0.2250 -0.2250 -0.2250 -0.2250 -0.1043 -0.1043 -0.1043 -0.1043 0.0333 0.0333 0.0333 0.0333 0.6549 0.6549 0.6549 0.6549 6.9491 6.9491 6.9491 6.9491 k = 0.3605 0.2520-0.0000 ( 8086 PWs) bands (ev): -15.8082 -15.8082 -15.8082 -15.8082 -15.6634 -15.6634 -15.6634 -15.6634 -13.5317 -13.5317 -13.5317 -13.5317 -13.4796 -13.4796 -13.4796 -13.4796 -3.9041 -3.9041 -3.9041 -3.9041 -3.5266 -3.5266 -3.5266 -3.5266 -3.2435 -3.2435 -3.2435 -3.2435 -2.7919 -2.7919 -2.7919 -2.7919 -2.6245 -2.6245 -2.6245 -2.6245 -2.4310 -2.4310 -2.4310 -2.4310 -2.3046 -2.3046 -2.3046 -2.3046 -1.6456 -1.6456 -1.6456 -1.6456 -1.6138 -1.6138 -1.6138 -1.6138 -1.3425 -1.3425 -1.3425 -1.3425 -0.9043 -0.9043 -0.9043 -0.9043 -0.4311 -0.4311 -0.4311 -0.4311 -0.4063 -0.4063 -0.4063 -0.4063 -0.2236 -0.2236 -0.2236 -0.2236 -0.1033 -0.1033 -0.1033 -0.1033 0.0399 0.0399 0.0399 0.0399 0.6643 0.6643 0.6643 0.6643 6.9536 6.9536 6.9536 6.9536 k = 0.3488 0.2520-0.0000 ( 8098 PWs) bands (ev): -15.8103 -15.8103 -15.8103 -15.8103 -15.6646 -15.6646 -15.6646 -15.6646 -13.5365 -13.5365 -13.5365 -13.5365 -13.4828 -13.4828 -13.4828 -13.4828 -3.8953 -3.8953 -3.8953 -3.8953 -3.5229 -3.5229 -3.5229 -3.5229 -3.2417 -3.2417 -3.2417 -3.2417 -2.7885 -2.7885 -2.7885 -2.7885 -2.6236 -2.6236 -2.6236 -2.6236 -2.4247 -2.4247 -2.4247 -2.4247 -2.3039 -2.3039 -2.3039 -2.3039 -1.6490 -1.6490 -1.6490 -1.6490 -1.5860 -1.5860 -1.5860 -1.5860 -1.3454 -1.3454 -1.3454 -1.3454 -0.9067 -0.9067 -0.9067 -0.9067 -0.4303 -0.4303 -0.4303 -0.4303 -0.4091 -0.4091 -0.4091 -0.4091 -0.2218 -0.2218 -0.2218 -0.2218 -0.1020 -0.1020 -0.1020 -0.1020 0.0465 0.0465 0.0465 0.0465 0.6740 0.6740 0.6740 0.6740 6.9574 6.9574 6.9574 6.9574 k = 0.3372 0.2520-0.0000 ( 8098 PWs) bands (ev): -15.8125 -15.8125 -15.8125 -15.8125 -15.6658 -15.6658 -15.6658 -15.6658 -13.5415 -13.5415 -13.5415 -13.5415 -13.4862 -13.4862 -13.4862 -13.4862 -3.8865 -3.8865 -3.8865 -3.8865 -3.5191 -3.5191 -3.5191 -3.5191 -3.2400 -3.2400 -3.2400 -3.2400 -2.7852 -2.7852 -2.7852 -2.7852 -2.6226 -2.6226 -2.6226 -2.6226 -2.4192 -2.4192 -2.4192 -2.4192 -2.3006 -2.3006 -2.3006 -2.3006 -1.6556 -1.6556 -1.6556 -1.6556 -1.5541 -1.5541 -1.5541 -1.5541 -1.3481 -1.3481 -1.3481 -1.3481 -0.9086 -0.9086 -0.9086 -0.9086 -0.4313 -0.4313 -0.4313 -0.4313 -0.4106 -0.4106 -0.4106 -0.4106 -0.2195 -0.2195 -0.2195 -0.2195 -0.1005 -0.1005 -0.1005 -0.1005 0.0529 0.0529 0.0529 0.0529 0.6840 0.6840 0.6840 0.6840 6.9605 6.9605 6.9605 6.9605 k = 0.3256 0.2520-0.0000 ( 8102 PWs) bands (ev): -15.8149 -15.8149 -15.8149 -15.8149 -15.6671 -15.6671 -15.6671 -15.6671 -13.5468 -13.5468 -13.5468 -13.5468 -13.4898 -13.4898 -13.4898 -13.4898 -3.8776 -3.8776 -3.8776 -3.8776 -3.5154 -3.5154 -3.5154 -3.5154 -3.2383 -3.2383 -3.2383 -3.2383 -2.7821 -2.7821 -2.7821 -2.7821 -2.6212 -2.6212 -2.6212 -2.6212 -2.4140 -2.4140 -2.4140 -2.4140 -2.2948 -2.2948 -2.2948 -2.2948 -1.6634 -1.6634 -1.6634 -1.6634 -1.5207 -1.5207 -1.5207 -1.5207 -1.3504 -1.3504 -1.3504 -1.3504 -0.9100 -0.9100 -0.9100 -0.9100 -0.4344 -0.4344 -0.4344 -0.4344 -0.4100 -0.4100 -0.4100 -0.4100 -0.2167 -0.2167 -0.2167 -0.2167 -0.0989 -0.0989 -0.0989 -0.0989 0.0592 0.0592 0.0592 0.0592 0.6942 0.6942 0.6942 0.6942 6.9626 6.9626 6.9626 6.9626 k = 0.3140 0.2520-0.0000 ( 8098 PWs) bands (ev): -15.8173 -15.8173 -15.8173 -15.8173 -15.6685 -15.6685 -15.6685 -15.6685 -13.5522 -13.5522 -13.5522 -13.5522 -13.4935 -13.4935 -13.4935 -13.4935 -3.8688 -3.8688 -3.8688 -3.8688 -3.5118 -3.5118 -3.5118 -3.5118 -3.2367 -3.2367 -3.2367 -3.2367 -2.7794 -2.7794 -2.7794 -2.7794 -2.6196 -2.6196 -2.6196 -2.6196 -2.4088 -2.4088 -2.4088 -2.4088 -2.2870 -2.2870 -2.2870 -2.2870 -1.6719 -1.6719 -1.6719 -1.6719 -1.4867 -1.4867 -1.4867 -1.4867 -1.3521 -1.3521 -1.3521 -1.3521 -0.9108 -0.9108 -0.9108 -0.9108 -0.4393 -0.4393 -0.4393 -0.4393 -0.4079 -0.4079 -0.4079 -0.4079 -0.2134 -0.2134 -0.2134 -0.2134 -0.0970 -0.0970 -0.0970 -0.0970 0.0652 0.0652 0.0652 0.0652 0.7044 0.7044 0.7044 0.7044 6.9635 6.9635 6.9635 6.9635 k = 0.3023 0.2520-0.0000 ( 8110 PWs) bands (ev): -15.8197 -15.8197 -15.8197 -15.8197 -15.6699 -15.6699 -15.6699 -15.6699 -13.5578 -13.5578 -13.5578 -13.5578 -13.4973 -13.4973 -13.4973 -13.4973 -3.8602 -3.8602 -3.8602 -3.8602 -3.5084 -3.5084 -3.5084 -3.5084 -3.2352 -3.2352 -3.2352 -3.2352 -2.7772 -2.7772 -2.7772 -2.7772 -2.6177 -2.6177 -2.6177 -2.6177 -2.4030 -2.4030 -2.4030 -2.4030 -2.2776 -2.2776 -2.2776 -2.2776 -1.6809 -1.6809 -1.6809 -1.6809 -1.4530 -1.4530 -1.4530 -1.4530 -1.3521 -1.3521 -1.3521 -1.3521 -0.9108 -0.9108 -0.9108 -0.9108 -0.4453 -0.4453 -0.4453 -0.4453 -0.4048 -0.4048 -0.4048 -0.4048 -0.2097 -0.2097 -0.2097 -0.2097 -0.0951 -0.0951 -0.0951 -0.0951 0.0709 0.0709 0.0709 0.0709 0.7147 0.7147 0.7147 0.7147 6.9630 6.9630 6.9630 6.9630 k = 0.2907 0.2520-0.0000 ( 8102 PWs) bands (ev): -15.8223 -15.8223 -15.8223 -15.8223 -15.6713 -15.6713 -15.6713 -15.6713 -13.5635 -13.5635 -13.5635 -13.5635 -13.5012 -13.5012 -13.5012 -13.5012 -3.8518 -3.8518 -3.8518 -3.8518 -3.5053 -3.5053 -3.5053 -3.5053 -3.2338 -3.2338 -3.2338 -3.2338 -2.7756 -2.7756 -2.7756 -2.7756 -2.6154 -2.6154 -2.6154 -2.6154 -2.3960 -2.3960 -2.3960 -2.3960 -2.2670 -2.2670 -2.2670 -2.2670 -1.6904 -1.6904 -1.6904 -1.6904 -1.4224 -1.4224 -1.4224 -1.4224 -1.3483 -1.3483 -1.3483 -1.3483 -0.9100 -0.9100 -0.9100 -0.9100 -0.4519 -0.4519 -0.4519 -0.4519 -0.4010 -0.4010 -0.4010 -0.4010 -0.2054 -0.2054 -0.2054 -0.2054 -0.0932 -0.0932 -0.0932 -0.0932 0.0763 0.0763 0.0763 0.0763 0.7248 0.7248 0.7248 0.7248 6.9610 6.9610 6.9610 6.9610 k = 0.2791 0.2520-0.0000 ( 8090 PWs) bands (ev): -15.8249 -15.8249 -15.8249 -15.8249 -15.6727 -15.6727 -15.6727 -15.6727 -13.5693 -13.5693 -13.5693 -13.5693 -13.5051 -13.5051 -13.5051 -13.5051 -3.8437 -3.8437 -3.8437 -3.8437 -3.5026 -3.5026 -3.5026 -3.5026 -3.2326 -3.2326 -3.2326 -3.2326 -2.7746 -2.7746 -2.7746 -2.7746 -2.6127 -2.6127 -2.6127 -2.6127 -2.3878 -2.3878 -2.3878 -2.3878 -2.2554 -2.2554 -2.2554 -2.2554 -1.7003 -1.7003 -1.7003 -1.7003 -1.4004 -1.4004 -1.4004 -1.4004 -1.3352 -1.3352 -1.3352 -1.3352 -0.9081 -0.9081 -0.9081 -0.9081 -0.4588 -0.4588 -0.4588 -0.4588 -0.3969 -0.3969 -0.3969 -0.3969 -0.2006 -0.2006 -0.2006 -0.2006 -0.0913 -0.0913 -0.0913 -0.0913 0.0812 0.0812 0.0812 0.0812 0.7348 0.7348 0.7348 0.7348 6.9573 6.9573 6.9573 6.9573 k = 0.2674 0.2520-0.0000 ( 8094 PWs) bands (ev): -15.8275 -15.8275 -15.8275 -15.8275 -15.6742 -15.6742 -15.6742 -15.6742 -13.5751 -13.5751 -13.5751 -13.5751 -13.5091 -13.5091 -13.5091 -13.5091 -3.8359 -3.8359 -3.8359 -3.8359 -3.5002 -3.5002 -3.5002 -3.5002 -3.2315 -3.2315 -3.2315 -3.2315 -2.7744 -2.7744 -2.7744 -2.7744 -2.6097 -2.6097 -2.6097 -2.6097 -2.3782 -2.3782 -2.3782 -2.3782 -2.2432 -2.2432 -2.2432 -2.2432 -1.7106 -1.7106 -1.7106 -1.7106 -1.3905 -1.3905 -1.3905 -1.3905 -1.3096 -1.3096 -1.3096 -1.3096 -0.9049 -0.9049 -0.9049 -0.9049 -0.4659 -0.4659 -0.4659 -0.4659 -0.3924 -0.3924 -0.3924 -0.3924 -0.1954 -0.1954 -0.1954 -0.1954 -0.0894 -0.0894 -0.0894 -0.0894 0.0857 0.0857 0.0857 0.0857 0.7444 0.7444 0.7444 0.7444 6.9519 6.9519 6.9519 6.9519 k = 0.2558 0.2520-0.0000 ( 8098 PWs) bands (ev): -15.8301 -15.8301 -15.8301 -15.8301 -15.6757 -15.6757 -15.6757 -15.6757 -13.5810 -13.5810 -13.5810 -13.5810 -13.5132 -13.5132 -13.5132 -13.5132 -3.8285 -3.8285 -3.8285 -3.8285 -3.4983 -3.4983 -3.4983 -3.4983 -3.2306 -3.2306 -3.2306 -3.2306 -2.7747 -2.7747 -2.7747 -2.7747 -2.6064 -2.6064 -2.6064 -2.6064 -2.3673 -2.3673 -2.3673 -2.3673 -2.2303 -2.2303 -2.2303 -2.2303 -1.7211 -1.7211 -1.7211 -1.7211 -1.3880 -1.3880 -1.3880 -1.3880 -1.2768 -1.2768 -1.2768 -1.2768 -0.9002 -0.9002 -0.9002 -0.9002 -0.4730 -0.4730 -0.4730 -0.4730 -0.3877 -0.3877 -0.3877 -0.3877 -0.1897 -0.1897 -0.1897 -0.1897 -0.0875 -0.0875 -0.0875 -0.0875 0.0896 0.0896 0.0896 0.0896 0.7538 0.7538 0.7538 0.7538 6.9446 6.9446 6.9446 6.9446 k = 0.2442 0.2520-0.0000 ( 8102 PWs) bands (ev): -15.8328 -15.8328 -15.8328 -15.8328 -15.6772 -15.6772 -15.6772 -15.6772 -13.5869 -13.5869 -13.5869 -13.5869 -13.5172 -13.5172 -13.5172 -13.5172 -3.8214 -3.8214 -3.8214 -3.8214 -3.4968 -3.4968 -3.4968 -3.4968 -3.2298 -3.2298 -3.2298 -3.2298 -2.7756 -2.7756 -2.7756 -2.7756 -2.6027 -2.6027 -2.6027 -2.6027 -2.3553 -2.3553 -2.3553 -2.3553 -2.2167 -2.2167 -2.2167 -2.2167 -1.7319 -1.7319 -1.7319 -1.7319 -1.3883 -1.3883 -1.3883 -1.3883 -1.2415 -1.2415 -1.2415 -1.2415 -0.8938 -0.8938 -0.8938 -0.8938 -0.4802 -0.4802 -0.4802 -0.4802 -0.3828 -0.3828 -0.3828 -0.3828 -0.1835 -0.1835 -0.1835 -0.1835 -0.0858 -0.0858 -0.0858 -0.0858 0.0931 0.0931 0.0931 0.0931 0.7627 0.7627 0.7627 0.7627 6.9353 6.9353 6.9353 6.9353 k = 0.2326 0.2520-0.0000 ( 8106 PWs) bands (ev): -15.8354 -15.8354 -15.8354 -15.8354 -15.6786 -15.6786 -15.6786 -15.6786 -13.5927 -13.5927 -13.5927 -13.5927 -13.5212 -13.5212 -13.5212 -13.5212 -3.8147 -3.8147 -3.8147 -3.8147 -3.4958 -3.4958 -3.4958 -3.4958 -3.2293 -3.2293 -3.2293 -3.2293 -2.7770 -2.7770 -2.7770 -2.7770 -2.5987 -2.5987 -2.5987 -2.5987 -2.3425 -2.3425 -2.3425 -2.3425 -2.2025 -2.2025 -2.2025 -2.2025 -1.7429 -1.7429 -1.7429 -1.7429 -1.3897 -1.3897 -1.3897 -1.3897 -1.2061 -1.2061 -1.2061 -1.2061 -0.8851 -0.8851 -0.8851 -0.8851 -0.4871 -0.4871 -0.4871 -0.4871 -0.3778 -0.3778 -0.3778 -0.3778 -0.1770 -0.1770 -0.1770 -0.1770 -0.0842 -0.0842 -0.0842 -0.0842 0.0960 0.0960 0.0960 0.0960 0.7711 0.7711 0.7711 0.7711 6.9242 6.9242 6.9242 6.9242 k = 0.2209 0.2520-0.0000 ( 8110 PWs) bands (ev): -15.8380 -15.8380 -15.8380 -15.8380 -15.6801 -15.6801 -15.6801 -15.6801 -13.5985 -13.5985 -13.5985 -13.5985 -13.5252 -13.5252 -13.5252 -13.5252 -3.8085 -3.8085 -3.8085 -3.8085 -3.4953 -3.4953 -3.4953 -3.4953 -3.2289 -3.2289 -3.2289 -3.2289 -2.7787 -2.7787 -2.7787 -2.7787 -2.5945 -2.5945 -2.5945 -2.5945 -2.3294 -2.3294 -2.3294 -2.3294 -2.1875 -2.1875 -2.1875 -2.1875 -1.7540 -1.7540 -1.7540 -1.7540 -1.3916 -1.3916 -1.3916 -1.3916 -1.1718 -1.1718 -1.1718 -1.1718 -0.8739 -0.8739 -0.8739 -0.8739 -0.4939 -0.4939 -0.4939 -0.4939 -0.3727 -0.3727 -0.3727 -0.3727 -0.1700 -0.1700 -0.1700 -0.1700 -0.0827 -0.0827 -0.0827 -0.0827 0.0984 0.0984 0.0984 0.0984 0.7790 0.7790 0.7790 0.7790 6.9112 6.9112 6.9112 6.9112 k = 0.2093 0.2520-0.0000 ( 8110 PWs) bands (ev): -15.8406 -15.8406 -15.8406 -15.8406 -15.6816 -15.6816 -15.6816 -15.6816 -13.6042 -13.6042 -13.6042 -13.6042 -13.5291 -13.5291 -13.5291 -13.5291 -3.8026 -3.8026 -3.8026 -3.8026 -3.4952 -3.4952 -3.4952 -3.4952 -3.2287 -3.2287 -3.2287 -3.2287 -2.7805 -2.7805 -2.7805 -2.7805 -2.5900 -2.5900 -2.5900 -2.5900 -2.3164 -2.3164 -2.3164 -2.3164 -2.1717 -2.1717 -2.1717 -2.1717 -1.7651 -1.7651 -1.7651 -1.7651 -1.3937 -1.3937 -1.3937 -1.3937 -1.1393 -1.1393 -1.1393 -1.1393 -0.8599 -0.8599 -0.8599 -0.8599 -0.5005 -0.5005 -0.5005 -0.5005 -0.3676 -0.3676 -0.3676 -0.3676 -0.1626 -0.1626 -0.1626 -0.1626 -0.0812 -0.0812 -0.0812 -0.0812 0.1001 0.1001 0.1001 0.1001 0.7863 0.7863 0.7863 0.7863 6.8963 6.8963 6.8963 6.8963 k = 0.1977 0.2520-0.0000 ( 8114 PWs) bands (ev): -15.8431 -15.8431 -15.8431 -15.8431 -15.6830 -15.6830 -15.6830 -15.6830 -13.6097 -13.6097 -13.6097 -13.6097 -13.5329 -13.5329 -13.5329 -13.5329 -3.7971 -3.7971 -3.7971 -3.7971 -3.4955 -3.4955 -3.4955 -3.4955 -3.2286 -3.2286 -3.2286 -3.2286 -2.7825 -2.7825 -2.7825 -2.7825 -2.5853 -2.5853 -2.5853 -2.5853 -2.3038 -2.3038 -2.3038 -2.3038 -2.1549 -2.1549 -2.1549 -2.1549 -1.7762 -1.7762 -1.7762 -1.7762 -1.3958 -1.3958 -1.3958 -1.3958 -1.1094 -1.1094 -1.1094 -1.1094 -0.8427 -0.8427 -0.8427 -0.8427 -0.5068 -0.5068 -0.5068 -0.5068 -0.3625 -0.3625 -0.3625 -0.3625 -0.1548 -0.1548 -0.1548 -0.1548 -0.0799 -0.0799 -0.0799 -0.0799 0.1013 0.1013 0.1013 0.1013 0.7930 0.7930 0.7930 0.7930 6.8799 6.8799 6.8799 6.8799 k = 0.1860 0.2520-0.0000 ( 8110 PWs) bands (ev): -15.8456 -15.8456 -15.8456 -15.8456 -15.6844 -15.6844 -15.6844 -15.6844 -13.6151 -13.6151 -13.6151 -13.6151 -13.5367 -13.5367 -13.5367 -13.5367 -3.7920 -3.7920 -3.7920 -3.7920 -3.4963 -3.4963 -3.4963 -3.4963 -3.2287 -3.2287 -3.2287 -3.2287 -2.7844 -2.7844 -2.7844 -2.7844 -2.5804 -2.5804 -2.5804 -2.5804 -2.2922 -2.2922 -2.2922 -2.2922 -2.1373 -2.1373 -2.1373 -2.1373 -1.7873 -1.7873 -1.7873 -1.7873 -1.3980 -1.3980 -1.3980 -1.3980 -1.0823 -1.0823 -1.0823 -1.0823 -0.8225 -0.8225 -0.8225 -0.8225 -0.5127 -0.5127 -0.5127 -0.5127 -0.3575 -0.3575 -0.3575 -0.3575 -0.1467 -0.1467 -0.1467 -0.1467 -0.0786 -0.0786 -0.0786 -0.0786 0.1018 0.1018 0.1018 0.1018 0.7991 0.7991 0.7991 0.7991 6.8619 6.8619 6.8619 6.8619 k = 0.1744 0.2520-0.0000 ( 8114 PWs) bands (ev): -15.8480 -15.8480 -15.8480 -15.8480 -15.6857 -15.6857 -15.6857 -15.6857 -13.6203 -13.6203 -13.6203 -13.6203 -13.5403 -13.5403 -13.5403 -13.5403 -3.7874 -3.7874 -3.7874 -3.7874 -3.4974 -3.4974 -3.4974 -3.4974 -3.2289 -3.2289 -3.2289 -3.2289 -2.7863 -2.7863 -2.7863 -2.7863 -2.5754 -2.5754 -2.5754 -2.5754 -2.2816 -2.2816 -2.2816 -2.2816 -2.1188 -2.1188 -2.1188 -2.1188 -1.7982 -1.7982 -1.7982 -1.7982 -1.4000 -1.4000 -1.4000 -1.4000 -1.0582 -1.0582 -1.0582 -1.0582 -0.7995 -0.7995 -0.7995 -0.7995 -0.5182 -0.5182 -0.5182 -0.5182 -0.3526 -0.3526 -0.3526 -0.3526 -0.1383 -0.1383 -0.1383 -0.1383 -0.0773 -0.0773 -0.0773 -0.0773 0.1017 0.1017 0.1017 0.1017 0.8045 0.8045 0.8045 0.8045 6.8426 6.8426 6.8426 6.8426 k = 0.1628 0.2520-0.0000 ( 8106 PWs) bands (ev): -15.8503 -15.8503 -15.8503 -15.8503 -15.6870 -15.6870 -15.6870 -15.6870 -13.6253 -13.6253 -13.6253 -13.6253 -13.5437 -13.5437 -13.5437 -13.5437 -3.7831 -3.7831 -3.7831 -3.7831 -3.4988 -3.4988 -3.4988 -3.4988 -3.2292 -3.2292 -3.2292 -3.2292 -2.7880 -2.7880 -2.7880 -2.7880 -2.5703 -2.5703 -2.5703 -2.5703 -2.2721 -2.2721 -2.2721 -2.2721 -2.0998 -2.0998 -2.0998 -2.0998 -1.8088 -1.8088 -1.8088 -1.8088 -1.4020 -1.4020 -1.4020 -1.4020 -1.0367 -1.0367 -1.0367 -1.0367 -0.7744 -0.7744 -0.7744 -0.7744 -0.5232 -0.5232 -0.5232 -0.5232 -0.3479 -0.3479 -0.3479 -0.3479 -0.1297 -0.1297 -0.1297 -0.1297 -0.0759 -0.0759 -0.0759 -0.0759 0.1010 0.1010 0.1010 0.1010 0.8092 0.8092 0.8092 0.8092 6.8223 6.8223 6.8223 6.8223 k = 0.1512 0.2520-0.0000 ( 8108 PWs) bands (ev): -15.8525 -15.8525 -15.8525 -15.8525 -15.6882 -15.6882 -15.6882 -15.6882 -13.6301 -13.6301 -13.6301 -13.6301 -13.5470 -13.5470 -13.5470 -13.5470 -3.7792 -3.7792 -3.7792 -3.7792 -3.5004 -3.5004 -3.5004 -3.5004 -3.2296 -3.2296 -3.2296 -3.2296 -2.7896 -2.7896 -2.7896 -2.7896 -2.5652 -2.5652 -2.5652 -2.5652 -2.2639 -2.2639 -2.2639 -2.2639 -2.0806 -2.0806 -2.0806 -2.0806 -1.8192 -1.8192 -1.8192 -1.8192 -1.4038 -1.4038 -1.4038 -1.4038 -1.0174 -1.0174 -1.0174 -1.0174 -0.7483 -0.7483 -0.7483 -0.7483 -0.5274 -0.5274 -0.5274 -0.5274 -0.3433 -0.3433 -0.3433 -0.3433 -0.1208 -0.1208 -0.1208 -0.1208 -0.0745 -0.0745 -0.0745 -0.0745 0.0997 0.0997 0.0997 0.0997 0.8133 0.8133 0.8133 0.8133 6.8013 6.8013 6.8013 6.8013 k = 0.1395 0.2520-0.0000 ( 8112 PWs) bands (ev): -15.8546 -15.8546 -15.8546 -15.8546 -15.6894 -15.6894 -15.6894 -15.6894 -13.6346 -13.6346 -13.6346 -13.6346 -13.5502 -13.5502 -13.5502 -13.5502 -3.7756 -3.7756 -3.7756 -3.7756 -3.5021 -3.5021 -3.5021 -3.5021 -3.2300 -3.2300 -3.2300 -3.2300 -2.7909 -2.7909 -2.7909 -2.7909 -2.5601 -2.5601 -2.5601 -2.5601 -2.2568 -2.2568 -2.2568 -2.2568 -2.0615 -2.0615 -2.0615 -2.0615 -1.8292 -1.8292 -1.8292 -1.8292 -1.4055 -1.4055 -1.4055 -1.4055 -0.9999 -0.9999 -0.9999 -0.9999 -0.7224 -0.7224 -0.7224 -0.7224 -0.5305 -0.5305 -0.5305 -0.5305 -0.3390 -0.3390 -0.3390 -0.3390 -0.1119 -0.1119 -0.1119 -0.1119 -0.0729 -0.0729 -0.0729 -0.0729 0.0978 0.0978 0.0978 0.0978 0.8167 0.8167 0.8167 0.8167 6.7798 6.7798 6.7798 6.7798 k = 0.1279 0.2520-0.0000 ( 8116 PWs) bands (ev): -15.8566 -15.8566 -15.8566 -15.8566 -15.6905 -15.6905 -15.6905 -15.6905 -13.6389 -13.6389 -13.6389 -13.6389 -13.5531 -13.5531 -13.5531 -13.5531 -3.7725 -3.7725 -3.7725 -3.7725 -3.5040 -3.5040 -3.5040 -3.5040 -3.2306 -3.2306 -3.2306 -3.2306 -2.7921 -2.7921 -2.7921 -2.7921 -2.5551 -2.5551 -2.5551 -2.5551 -2.2508 -2.2508 -2.2508 -2.2508 -2.0427 -2.0427 -2.0427 -2.0427 -1.8388 -1.8388 -1.8388 -1.8388 -1.4071 -1.4071 -1.4071 -1.4071 -0.9836 -0.9836 -0.9836 -0.9836 -0.6980 -0.6980 -0.6980 -0.6980 -0.5322 -0.5322 -0.5322 -0.5322 -0.3349 -0.3349 -0.3349 -0.3349 -0.1030 -0.1030 -0.1030 -0.1030 -0.0710 -0.0710 -0.0710 -0.0710 0.0953 0.0953 0.0953 0.0953 0.8195 0.8195 0.8195 0.8195 6.7583 6.7583 6.7583 6.7583 k = 0.1163 0.2520-0.0000 ( 8116 PWs) bands (ev): -15.8584 -15.8584 -15.8584 -15.8584 -15.6915 -15.6915 -15.6915 -15.6915 -13.6428 -13.6428 -13.6428 -13.6428 -13.5558 -13.5558 -13.5558 -13.5558 -3.7697 -3.7697 -3.7697 -3.7697 -3.5059 -3.5059 -3.5059 -3.5059 -3.2311 -3.2311 -3.2311 -3.2311 -2.7930 -2.7930 -2.7930 -2.7930 -2.5503 -2.5503 -2.5503 -2.5503 -2.2457 -2.2457 -2.2457 -2.2457 -2.0247 -2.0247 -2.0247 -2.0247 -1.8478 -1.8478 -1.8478 -1.8478 -1.4086 -1.4086 -1.4086 -1.4086 -0.9682 -0.9682 -0.9682 -0.9682 -0.6765 -0.6765 -0.6765 -0.6765 -0.5316 -0.5316 -0.5316 -0.5316 -0.3312 -0.3312 -0.3312 -0.3312 -0.0943 -0.0943 -0.0943 -0.0943 -0.0687 -0.0687 -0.0687 -0.0687 0.0923 0.0923 0.0923 0.0923 0.8217 0.8217 0.8217 0.8217 6.7371 6.7371 6.7371 6.7371 k = 0.1047 0.2520-0.0000 ( 8124 PWs) bands (ev): -15.8601 -15.8601 -15.8601 -15.8601 -15.6924 -15.6924 -15.6924 -15.6924 -13.6464 -13.6464 -13.6464 -13.6464 -13.5584 -13.5584 -13.5584 -13.5584 -3.7672 -3.7672 -3.7672 -3.7672 -3.5079 -3.5079 -3.5079 -3.5079 -3.2317 -3.2317 -3.2317 -3.2317 -2.7938 -2.7938 -2.7938 -2.7938 -2.5457 -2.5457 -2.5457 -2.5457 -2.2415 -2.2415 -2.2415 -2.2415 -2.0077 -2.0077 -2.0077 -2.0077 -1.8563 -1.8563 -1.8563 -1.8563 -1.4098 -1.4098 -1.4098 -1.4098 -0.9534 -0.9534 -0.9534 -0.9534 -0.6595 -0.6595 -0.6595 -0.6595 -0.5280 -0.5280 -0.5280 -0.5280 -0.3277 -0.3277 -0.3277 -0.3277 -0.0861 -0.0861 -0.0861 -0.0861 -0.0656 -0.0656 -0.0656 -0.0656 0.0888 0.0888 0.0888 0.0888 0.8234 0.8234 0.8234 0.8234 6.7165 6.7165 6.7165 6.7165 k = 0.0930 0.2520-0.0000 ( 8132 PWs) bands (ev): -15.8616 -15.8616 -15.8616 -15.8616 -15.6933 -15.6933 -15.6933 -15.6933 -13.6497 -13.6497 -13.6497 -13.6497 -13.5607 -13.5607 -13.5607 -13.5607 -3.7650 -3.7650 -3.7650 -3.7650 -3.5097 -3.5097 -3.5097 -3.5097 -3.2323 -3.2323 -3.2323 -3.2323 -2.7944 -2.7944 -2.7944 -2.7944 -2.5413 -2.5413 -2.5413 -2.5413 -2.2381 -2.2381 -2.2381 -2.2381 -1.9920 -1.9920 -1.9920 -1.9920 -1.8641 -1.8641 -1.8641 -1.8641 -1.4110 -1.4110 -1.4110 -1.4110 -0.9392 -0.9392 -0.9392 -0.9392 -0.6477 -0.6477 -0.6477 -0.6477 -0.5210 -0.5210 -0.5210 -0.5210 -0.3246 -0.3246 -0.3246 -0.3246 -0.0791 -0.0791 -0.0791 -0.0791 -0.0613 -0.0613 -0.0613 -0.0613 0.0847 0.0847 0.0847 0.0847 0.8247 0.8247 0.8247 0.8247 6.6968 6.6968 6.6968 6.6968 k = 0.0814 0.2520-0.0000 ( 8132 PWs) bands (ev): -15.8630 -15.8630 -15.8630 -15.8630 -15.6941 -15.6941 -15.6941 -15.6941 -13.6527 -13.6527 -13.6527 -13.6527 -13.5627 -13.5627 -13.5627 -13.5627 -3.7632 -3.7632 -3.7632 -3.7632 -3.5115 -3.5115 -3.5115 -3.5115 -3.2328 -3.2328 -3.2328 -3.2328 -2.7948 -2.7948 -2.7948 -2.7948 -2.5372 -2.5372 -2.5372 -2.5372 -2.2352 -2.2352 -2.2352 -2.2352 -1.9777 -1.9777 -1.9777 -1.9777 -1.8712 -1.8712 -1.8712 -1.8712 -1.4120 -1.4120 -1.4120 -1.4120 -0.9257 -0.9257 -0.9257 -0.9257 -0.6412 -0.6412 -0.6412 -0.6412 -0.5110 -0.5110 -0.5110 -0.5110 -0.3218 -0.3218 -0.3218 -0.3218 -0.0737 -0.0737 -0.0737 -0.0737 -0.0555 -0.0555 -0.0555 -0.0555 0.0803 0.0803 0.0803 0.0803 0.8255 0.8255 0.8255 0.8255 6.6786 6.6786 6.6786 6.6786 k = 0.0698 0.2520-0.0000 ( 8124 PWs) bands (ev): -15.8642 -15.8642 -15.8642 -15.8642 -15.6947 -15.6947 -15.6947 -15.6947 -13.6553 -13.6553 -13.6553 -13.6553 -13.5645 -13.5645 -13.5645 -13.5645 -3.7616 -3.7616 -3.7616 -3.7616 -3.5131 -3.5131 -3.5131 -3.5131 -3.2333 -3.2333 -3.2333 -3.2333 -2.7951 -2.7951 -2.7951 -2.7951 -2.5335 -2.5335 -2.5335 -2.5335 -2.2329 -2.2329 -2.2329 -2.2329 -1.9650 -1.9650 -1.9650 -1.9650 -1.8776 -1.8776 -1.8776 -1.8776 -1.4129 -1.4129 -1.4129 -1.4129 -0.9128 -0.9128 -0.9128 -0.9128 -0.6389 -0.6389 -0.6389 -0.6389 -0.4994 -0.4994 -0.4994 -0.4994 -0.3193 -0.3193 -0.3193 -0.3193 -0.0697 -0.0697 -0.0697 -0.0697 -0.0485 -0.0485 -0.0485 -0.0485 0.0756 0.0756 0.0756 0.0756 0.8260 0.8260 0.8260 0.8260 6.6620 6.6620 6.6620 6.6620 k = 0.0581 0.2520-0.0000 ( 8122 PWs) bands (ev): -15.8652 -15.8652 -15.8652 -15.8652 -15.6953 -15.6953 -15.6953 -15.6953 -13.6575 -13.6575 -13.6575 -13.6575 -13.5660 -13.5660 -13.5660 -13.5660 -3.7602 -3.7602 -3.7602 -3.7602 -3.5145 -3.5145 -3.5145 -3.5145 -3.2337 -3.2337 -3.2337 -3.2337 -2.7953 -2.7953 -2.7953 -2.7953 -2.5303 -2.5303 -2.5303 -2.5303 -2.2311 -2.2311 -2.2311 -2.2311 -1.9541 -1.9541 -1.9541 -1.9541 -1.8831 -1.8831 -1.8831 -1.8831 -1.4136 -1.4136 -1.4136 -1.4136 -0.9010 -0.9010 -0.9010 -0.9010 -0.6393 -0.6393 -0.6393 -0.6393 -0.4876 -0.4876 -0.4876 -0.4876 -0.3172 -0.3172 -0.3172 -0.3172 -0.0666 -0.0666 -0.0666 -0.0666 -0.0410 -0.0410 -0.0410 -0.0410 0.0707 0.0707 0.0707 0.0707 0.8263 0.8263 0.8263 0.8263 6.6474 6.6474 6.6474 6.6474 k = 0.0465 0.2520-0.0000 ( 8118 PWs) bands (ev): -15.8661 -15.8661 -15.8661 -15.8661 -15.6958 -15.6958 -15.6958 -15.6958 -13.6593 -13.6593 -13.6593 -13.6593 -13.5673 -13.5673 -13.5673 -13.5673 -3.7592 -3.7592 -3.7592 -3.7592 -3.5157 -3.5157 -3.5157 -3.5157 -3.2341 -3.2341 -3.2341 -3.2341 -2.7954 -2.7954 -2.7954 -2.7954 -2.5276 -2.5276 -2.5276 -2.5276 -2.2298 -2.2298 -2.2298 -2.2298 -1.9451 -1.9451 -1.9451 -1.9451 -1.8877 -1.8877 -1.8877 -1.8877 -1.4142 -1.4142 -1.4142 -1.4142 -0.8904 -0.8904 -0.8904 -0.8904 -0.6413 -0.6413 -0.6413 -0.6413 -0.4769 -0.4769 -0.4769 -0.4769 -0.3155 -0.3155 -0.3155 -0.3155 -0.0640 -0.0640 -0.0640 -0.0640 -0.0338 -0.0338 -0.0338 -0.0338 0.0659 0.0659 0.0659 0.0659 0.8264 0.8264 0.8264 0.8264 6.6350 6.6350 6.6350 6.6350 k = 0.0349 0.2520-0.0000 ( 8118 PWs) bands (ev): -15.8667 -15.8667 -15.8667 -15.8667 -15.6962 -15.6962 -15.6962 -15.6962 -13.6607 -13.6607 -13.6607 -13.6607 -13.5683 -13.5683 -13.5683 -13.5683 -3.7584 -3.7584 -3.7584 -3.7584 -3.5166 -3.5166 -3.5166 -3.5166 -3.2344 -3.2344 -3.2344 -3.2344 -2.7955 -2.7955 -2.7955 -2.7955 -2.5255 -2.5255 -2.5255 -2.5255 -2.2288 -2.2288 -2.2288 -2.2288 -1.9379 -1.9379 -1.9379 -1.9379 -1.8913 -1.8913 -1.8913 -1.8913 -1.4146 -1.4146 -1.4146 -1.4146 -0.8815 -0.8815 -0.8815 -0.8815 -0.6439 -0.6439 -0.6439 -0.6439 -0.4679 -0.4679 -0.4679 -0.4679 -0.3142 -0.3142 -0.3142 -0.3142 -0.0620 -0.0620 -0.0620 -0.0620 -0.0272 -0.0272 -0.0272 -0.0272 0.0614 0.0614 0.0614 0.0614 0.8264 0.8264 0.8264 0.8264 6.6252 6.6252 6.6252 6.6252 k = 0.0233 0.2520-0.0000 ( 8126 PWs) bands (ev): -15.8672 -15.8672 -15.8672 -15.8672 -15.6964 -15.6964 -15.6964 -15.6964 -13.6617 -13.6617 -13.6617 -13.6617 -13.5690 -13.5690 -13.5690 -13.5690 -3.7578 -3.7578 -3.7578 -3.7578 -3.5173 -3.5173 -3.5173 -3.5173 -3.2347 -3.2347 -3.2347 -3.2347 -2.7955 -2.7955 -2.7955 -2.7955 -2.5239 -2.5239 -2.5239 -2.5239 -2.2281 -2.2281 -2.2281 -2.2281 -1.9328 -1.9328 -1.9328 -1.9328 -1.8940 -1.8940 -1.8940 -1.8940 -1.4150 -1.4150 -1.4150 -1.4150 -0.8748 -0.8748 -0.8748 -0.8748 -0.6463 -0.6463 -0.6463 -0.6463 -0.4613 -0.4613 -0.4613 -0.4613 -0.3133 -0.3133 -0.3133 -0.3133 -0.0605 -0.0605 -0.0605 -0.0605 -0.0219 -0.0219 -0.0219 -0.0219 0.0575 0.0575 0.0575 0.0575 0.8264 0.8264 0.8264 0.8264 6.6180 6.6180 6.6180 6.6180 k = 0.0116 0.2520-0.0000 ( 8136 PWs) bands (ev): -15.8675 -15.8675 -15.8675 -15.8675 -15.6966 -15.6966 -15.6966 -15.6966 -13.6623 -13.6623 -13.6623 -13.6623 -13.5694 -13.5694 -13.5694 -13.5694 -3.7575 -3.7575 -3.7575 -3.7575 -3.5178 -3.5178 -3.5178 -3.5178 -3.2348 -3.2348 -3.2348 -3.2348 -2.7956 -2.7956 -2.7956 -2.7956 -2.5230 -2.5230 -2.5230 -2.5230 -2.2277 -2.2277 -2.2277 -2.2277 -1.9297 -1.9297 -1.9297 -1.9297 -1.8956 -1.8956 -1.8956 -1.8956 -1.4152 -1.4152 -1.4152 -1.4152 -0.8705 -0.8705 -0.8705 -0.8705 -0.6480 -0.6480 -0.6480 -0.6480 -0.4572 -0.4572 -0.4572 -0.4572 -0.3127 -0.3127 -0.3127 -0.3127 -0.0596 -0.0596 -0.0596 -0.0596 -0.0184 -0.0184 -0.0184 -0.0184 0.0549 0.0549 0.0549 0.0549 0.8263 0.8263 0.8263 0.8263 6.6136 6.6136 6.6136 6.6136 k = 0.0000 0.2520-0.0000 ( 8130 PWs) bands (ev): -15.8676 -15.8676 -15.8676 -15.8676 -15.6966 -15.6966 -15.6966 -15.6966 -13.6625 -13.6625 -13.6625 -13.6625 -13.5696 -13.5696 -13.5696 -13.5696 -3.7574 -3.7574 -3.7574 -3.7574 -3.5179 -3.5179 -3.5179 -3.5179 -3.2349 -3.2349 -3.2349 -3.2349 -2.7956 -2.7956 -2.7956 -2.7956 -2.5226 -2.5226 -2.5226 -2.5226 -2.2275 -2.2275 -2.2275 -2.2275 -1.9286 -1.9286 -1.9286 -1.9286 -1.8962 -1.8962 -1.8962 -1.8962 -1.4152 -1.4152 -1.4152 -1.4152 -0.8691 -0.8691 -0.8691 -0.8691 -0.6486 -0.6486 -0.6486 -0.6486 -0.4558 -0.4558 -0.4558 -0.4558 -0.3125 -0.3125 -0.3125 -0.3125 -0.0592 -0.0592 -0.0592 -0.0592 -0.0172 -0.0172 -0.0172 -0.0172 0.0540 0.0540 0.0540 0.0540 0.8263 0.8263 0.8263 0.8263 6.6122 6.6122 6.6122 6.6122 k = 0.0000 0.2520-0.0000 ( 8130 PWs) bands (ev): -15.8676 -15.8676 -15.8676 -15.8676 -15.6966 -15.6966 -15.6966 -15.6966 -13.6625 -13.6625 -13.6625 -13.6625 -13.5696 -13.5696 -13.5696 -13.5696 -3.7574 -3.7574 -3.7574 -3.7574 -3.5179 -3.5179 -3.5179 -3.5179 -3.2349 -3.2349 -3.2349 -3.2349 -2.7956 -2.7956 -2.7956 -2.7956 -2.5226 -2.5226 -2.5226 -2.5226 -2.2275 -2.2275 -2.2275 -2.2275 -1.9286 -1.9286 -1.9286 -1.9286 -1.8962 -1.8962 -1.8962 -1.8962 -1.4152 -1.4152 -1.4152 -1.4152 -0.8691 -0.8691 -0.8691 -0.8691 -0.6486 -0.6486 -0.6486 -0.6486 -0.4558 -0.4558 -0.4558 -0.4558 -0.3125 -0.3125 -0.3125 -0.3125 -0.0592 -0.0592 -0.0592 -0.0592 -0.0172 -0.0172 -0.0172 -0.0172 0.0540 0.0540 0.0540 0.0540 0.8263 0.8263 0.8263 0.8263 6.6122 6.6122 6.6122 6.6122 k = 0.0000 0.2406-0.0000 ( 8126 PWs) bands (ev): -15.8721 -15.8721 -15.8631 -15.8631 -15.6984 -15.6984 -15.6949 -15.6949 -13.6660 -13.6660 -13.6595 -13.6595 -13.5717 -13.5717 -13.5671 -13.5671 -3.7669 -3.7669 -3.7504 -3.7504 -3.5383 -3.5383 -3.4965 -3.4965 -3.2475 -3.2475 -3.2221 -3.2221 -2.7962 -2.7962 -2.7947 -2.7947 -2.5242 -2.5242 -2.5209 -2.5209 -2.2325 -2.2325 -2.2201 -2.2201 -1.9319 -1.9319 -1.9255 -1.9255 -1.9113 -1.9113 -1.8805 -1.8805 -1.4183 -1.4183 -1.4119 -1.4119 -0.8804 -0.8804 -0.8605 -0.8605 -0.6663 -0.6663 -0.6284 -0.6284 -0.4612 -0.4612 -0.4497 -0.4497 -0.3297 -0.3297 -0.2960 -0.2960 -0.0614 -0.0614 -0.0575 -0.0575 -0.0228 -0.0228 -0.0135 -0.0135 0.0447 0.0447 0.0656 0.0656 0.8094 0.8094 0.8420 0.8420 6.5576 6.5576 6.6635 6.6635 k = 0.0000 0.2291-0.0000 ( 8128 PWs) bands (ev): -15.8765 -15.8765 -15.8587 -15.8587 -15.7002 -15.7002 -15.6931 -15.6931 -13.6698 -13.6698 -13.6568 -13.6568 -13.5734 -13.5734 -13.5642 -13.5642 -3.7782 -3.7782 -3.7468 -3.7468 -3.5566 -3.5566 -3.4750 -3.4750 -3.2601 -3.2601 -3.2094 -3.2094 -2.7966 -2.7966 -2.7936 -2.7936 -2.5257 -2.5257 -2.5192 -2.5192 -2.2350 -2.2350 -2.2101 -2.2101 -1.9357 -1.9357 -1.9273 -1.9273 -1.9205 -1.9205 -1.8645 -1.8645 -1.4212 -1.4212 -1.4084 -1.4084 -0.8942 -0.8942 -0.8545 -0.8545 -0.6813 -0.6813 -0.6060 -0.6060 -0.4659 -0.4659 -0.4428 -0.4428 -0.3477 -0.3477 -0.2803 -0.2803 -0.0638 -0.0638 -0.0561 -0.0561 -0.0302 -0.0302 -0.0115 -0.0115 0.0380 0.0380 0.0788 0.0788 0.7913 0.7913 0.8564 0.8564 6.5003 6.5003 6.7110 6.7110 k = 0.0000 0.2177-0.0000 ( 8142 PWs) bands (ev): -15.8809 -15.8809 -15.8542 -15.8542 -15.7019 -15.7019 -15.6914 -15.6914 -13.6738 -13.6738 -13.6544 -13.6544 -13.5748 -13.5748 -13.5610 -13.5610 -3.7909 -3.7909 -3.7477 -3.7477 -3.5718 -3.5718 -3.4539 -3.4539 -3.2724 -3.2724 -3.1967 -3.1967 -2.7967 -2.7967 -2.7922 -2.7922 -2.5270 -2.5270 -2.5173 -2.5173 -2.2352 -2.2352 -2.1977 -2.1977 -1.9440 -1.9440 -1.9358 -1.9358 -1.9178 -1.9178 -1.8483 -1.8483 -1.4240 -1.4240 -1.4047 -1.4047 -0.9104 -0.9104 -0.8507 -0.8507 -0.6938 -0.6938 -0.5822 -0.5822 -0.4699 -0.4699 -0.4351 -0.4351 -0.3662 -0.3662 -0.2654 -0.2654 -0.0666 -0.0666 -0.0554 -0.0554 -0.0389 -0.0389 -0.0109 -0.0109 0.0339 0.0339 0.0931 0.0931 0.7721 0.7721 0.8696 0.8696 6.4409 6.4409 6.7543 6.7543 k = 0.0000 0.2062-0.0000 ( 8118 PWs) bands (ev): -15.8852 -15.8852 -15.8499 -15.8499 -15.7036 -15.7036 -15.6896 -15.6896 -13.6781 -13.6781 -13.6525 -13.6525 -13.5758 -13.5758 -13.5574 -13.5574 -3.8044 -3.8044 -3.7537 -3.7537 -3.5827 -3.5827 -3.4335 -3.4335 -3.2844 -3.2844 -3.1842 -3.1842 -2.7966 -2.7966 -2.7906 -2.7906 -2.5282 -2.5282 -2.5153 -2.5153 -2.2332 -2.2332 -2.1830 -2.1830 -1.9572 -1.9572 -1.9395 -1.9395 -1.9142 -1.9142 -1.8320 -1.8320 -1.4266 -1.4266 -1.4007 -1.4007 -0.9283 -0.9283 -0.8487 -0.8487 -0.7041 -0.7041 -0.5577 -0.5577 -0.4733 -0.4733 -0.4266 -0.4266 -0.3851 -0.3851 -0.2514 -0.2514 -0.0697 -0.0697 -0.0571 -0.0571 -0.0466 -0.0466 -0.0114 -0.0114 0.0319 0.0319 0.1081 0.1081 0.7519 0.7519 0.8815 0.8815 6.3800 6.3800 6.7931 6.7931 k = 0.0000 0.1948-0.0000 ( 8122 PWs) bands (ev): -15.8894 -15.8894 -15.8456 -15.8456 -15.7053 -15.7053 -15.6879 -15.6879 -13.6825 -13.6825 -13.6509 -13.6509 -13.5766 -13.5766 -13.5536 -13.5536 -3.8186 -3.8186 -3.7651 -3.7651 -3.5891 -3.5891 -3.4143 -3.4143 -3.2961 -3.2961 -3.1719 -3.1719 -2.7963 -2.7963 -2.7888 -2.7888 -2.5293 -2.5293 -2.5133 -2.5133 -2.2291 -2.2291 -2.1661 -2.1661 -1.9706 -1.9706 -1.9425 -1.9425 -1.9104 -1.9104 -1.8158 -1.8158 -1.4291 -1.4291 -1.3964 -1.3964 -0.9472 -0.9472 -0.8482 -0.8482 -0.7125 -0.7125 -0.5333 -0.5333 -0.4763 -0.4763 -0.4174 -0.4174 -0.4039 -0.4039 -0.2383 -0.2383 -0.0730 -0.0730 -0.0647 -0.0647 -0.0489 -0.0489 -0.0126 -0.0126 0.0315 0.0315 0.1233 0.1233 0.7307 0.7307 0.8923 0.8923 6.3182 6.3182 6.8271 6.8271 k = 0.0000 0.1833-0.0000 ( 8120 PWs) bands (ev): -15.8935 -15.8935 -15.8414 -15.8414 -15.7069 -15.7069 -15.6863 -15.6863 -13.6869 -13.6869 -13.6497 -13.6497 -13.5772 -13.5772 -13.5496 -13.5496 -3.8331 -3.8331 -3.7809 -3.7809 -3.5917 -3.5917 -3.3964 -3.3964 -3.3073 -3.3073 -3.1599 -3.1599 -2.7958 -2.7958 -2.7869 -2.7869 -2.5304 -2.5304 -2.5113 -2.5113 -2.2233 -2.2233 -2.1473 -2.1473 -1.9835 -1.9835 -1.9454 -1.9454 -1.9064 -1.9064 -1.7998 -1.7998 -1.4314 -1.4314 -1.3918 -1.3918 -0.9664 -0.9664 -0.8488 -0.8488 -0.7195 -0.7195 -0.5103 -0.5103 -0.4791 -0.4791 -0.4234 -0.4234 -0.4060 -0.4060 -0.2260 -0.2260 -0.0768 -0.0768 -0.0751 -0.0751 -0.0485 -0.0485 -0.0143 -0.0143 0.0320 0.0320 0.1387 0.1387 0.7088 0.7088 0.9018 0.9018 6.2561 6.2561 6.8562 6.8562 k = 0.0000 0.1718-0.0000 ( 8108 PWs) bands (ev): -15.8974 -15.8974 -15.8373 -15.8373 -15.7085 -15.7085 -15.6847 -15.6847 -13.6914 -13.6914 -13.6487 -13.6487 -13.5775 -13.5775 -13.5455 -13.5455 -3.8477 -3.8477 -3.7999 -3.7999 -3.5915 -3.5915 -3.3799 -3.3799 -3.3180 -3.3180 -3.1482 -3.1482 -2.7951 -2.7951 -2.7847 -2.7847 -2.5313 -2.5313 -2.5092 -2.5092 -2.2158 -2.2158 -2.1270 -2.1270 -1.9957 -1.9957 -1.9483 -1.9483 -1.9023 -1.9023 -1.7840 -1.7840 -1.4336 -1.4336 -1.3869 -1.3869 -0.9854 -0.9854 -0.8503 -0.8503 -0.7255 -0.7255 -0.4909 -0.4909 -0.4822 -0.4822 -0.4394 -0.4394 -0.3942 -0.3942 -0.2148 -0.2148 -0.0865 -0.0865 -0.0802 -0.0802 -0.0474 -0.0474 -0.0162 -0.0162 0.0331 0.0331 0.1539 0.1539 0.6861 0.6861 0.9102 0.9102 6.1943 6.1943 6.8805 6.8805 k = 0.0000 0.1604-0.0000 ( 8110 PWs) bands (ev): -15.9012 -15.9012 -15.8334 -15.8334 -15.7100 -15.7100 -15.6832 -15.6832 -13.6959 -13.6959 -13.6480 -13.6480 -13.5777 -13.5777 -13.5412 -13.5412 -3.8622 -3.8622 -3.8208 -3.8208 -3.5896 -3.5896 -3.3651 -3.3651 -3.3279 -3.3279 -3.1371 -3.1371 -2.7943 -2.7943 -2.7825 -2.7825 -2.5322 -2.5322 -2.5072 -2.5072 -2.2070 -2.2070 -2.1056 -2.1056 -2.0073 -2.0073 -1.9511 -1.9511 -1.8980 -1.8980 -1.7687 -1.7687 -1.4357 -1.4357 -1.3816 -1.3816 -1.0036 -1.0036 -0.8523 -0.8523 -0.7305 -0.7305 -0.4879 -0.4879 -0.4811 -0.4811 -0.4453 -0.4453 -0.3807 -0.3807 -0.2045 -0.2045 -0.0974 -0.0974 -0.0840 -0.0840 -0.0457 -0.0457 -0.0182 -0.0182 0.0346 0.0346 0.1688 0.1688 0.6631 0.6631 0.9174 0.9174 6.1334 6.1334 6.9001 6.9001 k = 0.0000 0.1489-0.0000 ( 8116 PWs) bands (ev): -15.9048 -15.9048 -15.8297 -15.8297 -15.7115 -15.7115 -15.6817 -15.6817 -13.7003 -13.7003 -13.6475 -13.6475 -13.5778 -13.5778 -13.5370 -13.5370 -3.8765 -3.8765 -3.8426 -3.8426 -3.5866 -3.5866 -3.3530 -3.3530 -3.3360 -3.3360 -3.1264 -3.1264 -2.7934 -2.7934 -2.7802 -2.7802 -2.5330 -2.5330 -2.5052 -2.5052 -2.1971 -2.1971 -2.0836 -2.0836 -2.0179 -2.0179 -1.9541 -1.9541 -1.8936 -1.8936 -1.7539 -1.7539 -1.4377 -1.4377 -1.3759 -1.3759 -1.0206 -1.0206 -0.8548 -0.8548 -0.7349 -0.7349 -0.5006 -0.5006 -0.4821 -0.4821 -0.4364 -0.4364 -0.3657 -0.3657 -0.1952 -0.1952 -0.1078 -0.1078 -0.0878 -0.0878 -0.0435 -0.0435 -0.0202 -0.0202 0.0363 0.0363 0.1832 0.1832 0.6398 0.6398 0.9237 0.9237 6.0740 6.0740 6.9154 6.9154 k = 0.0000 0.1375-0.0000 ( 8104 PWs) bands (ev): -15.9082 -15.9082 -15.8262 -15.8262 -15.7128 -15.7128 -15.6803 -15.6803 -13.7045 -13.7045 -13.6472 -13.6472 -13.5777 -13.5777 -13.5328 -13.5328 -3.8904 -3.8904 -3.8644 -3.8644 -3.5832 -3.5832 -3.3508 -3.3508 -3.3350 -3.3350 -3.1162 -3.1162 -2.7924 -2.7924 -2.7778 -2.7778 -2.5338 -2.5338 -2.5032 -2.5032 -2.1862 -2.1862 -2.0620 -2.0620 -2.0271 -2.0271 -1.9570 -1.9570 -1.8891 -1.8891 -1.7398 -1.7398 -1.4395 -1.4395 -1.3698 -1.3698 -1.0360 -1.0360 -0.8575 -0.8575 -0.7386 -0.7386 -0.5184 -0.5184 -0.4846 -0.4846 -0.4235 -0.4235 -0.3497 -0.3497 -0.1870 -0.1870 -0.1177 -0.1177 -0.0915 -0.0915 -0.0407 -0.0407 -0.0222 -0.0222 0.0380 0.0380 0.1970 0.1970 0.6164 0.6164 0.9289 0.9289 6.0166 6.0166 6.9267 6.9267 k = 0.0000 0.1260-0.0000 ( 8096 PWs) bands (ev): -15.9114 -15.9114 -15.8228 -15.8228 -15.7141 -15.7141 -15.6790 -15.6790 -13.7085 -13.7085 -13.6470 -13.6470 -13.5776 -13.5776 -13.5288 -13.5288 -3.9038 -3.9038 -3.8858 -3.8858 -3.5798 -3.5798 -3.3575 -3.3575 -3.3258 -3.3258 -3.1067 -3.1067 -2.7913 -2.7913 -2.7754 -2.7754 -2.5344 -2.5344 -2.5013 -2.5013 -2.1748 -2.1748 -2.0462 -2.0462 -2.0298 -2.0298 -1.9601 -1.9601 -1.8847 -1.8847 -1.7265 -1.7265 -1.4412 -1.4412 -1.3634 -1.3634 -1.0495 -1.0495 -0.8603 -0.8603 -0.7418 -0.7418 -0.5377 -0.5377 -0.4872 -0.4872 -0.4113 -0.4113 -0.3334 -0.3334 -0.1799 -0.1799 -0.1270 -0.1270 -0.0949 -0.0949 -0.0371 -0.0371 -0.0241 -0.0241 0.0398 0.0398 0.2101 0.2101 0.5934 0.5934 0.9333 0.9333 5.9617 5.9617 6.9346 6.9346 k = 0.0000 0.1146-0.0000 ( 8098 PWs) bands (ev): -15.9144 -15.9144 -15.8197 -15.8197 -15.7153 -15.7153 -15.6778 -15.6778 -13.7124 -13.7124 -13.6469 -13.6469 -13.5774 -13.5774 -13.5249 -13.5249 -3.9165 -3.9165 -3.9062 -3.9062 -3.5765 -3.5765 -3.3649 -3.3649 -3.3166 -3.3166 -3.0979 -3.0979 -2.7902 -2.7902 -2.7730 -2.7730 -2.5350 -2.5350 -2.4996 -2.4996 -2.1630 -2.1630 -2.0491 -2.0491 -2.0137 -2.0137 -1.9633 -1.9633 -1.8803 -1.8803 -1.7141 -1.7141 -1.4427 -1.4427 -1.3566 -1.3566 -1.0610 -1.0610 -0.8632 -0.8632 -0.7443 -0.7443 -0.5571 -0.5571 -0.4902 -0.4902 -0.4004 -0.4004 -0.3178 -0.3178 -0.1741 -0.1741 -0.1355 -0.1355 -0.0978 -0.0978 -0.0327 -0.0327 -0.0258 -0.0258 0.0415 0.0415 0.2224 0.2224 0.5709 0.5709 0.9369 0.9369 5.9098 5.9098 6.9395 6.9395 k = 0.0000 0.1031-0.0000 ( 8113 PWs) bands (ev): -15.9172 -15.9172 -15.8168 -15.8168 -15.7164 -15.7164 -15.6767 -15.6767 -13.7159 -13.7159 -13.6469 -13.6469 -13.5772 -13.5772 -13.5213 -13.5213 -3.9288 -3.9288 -3.9250 -3.9250 -3.5736 -3.5736 -3.3718 -3.3718 -3.3084 -3.3084 -3.0898 -3.0898 -2.7892 -2.7892 -2.7707 -2.7707 -2.5356 -2.5356 -2.4979 -2.4979 -2.1512 -2.1512 -2.0557 -2.0557 -1.9938 -1.9938 -1.9667 -1.9667 -1.8761 -1.8761 -1.7027 -1.7027 -1.4442 -1.4442 -1.3496 -1.3496 -1.0703 -1.0703 -0.8659 -0.8659 -0.7462 -0.7462 -0.5762 -0.5762 -0.4937 -0.4937 -0.3908 -0.3908 -0.3035 -0.3035 -0.1694 -0.1694 -0.1433 -0.1433 -0.1002 -0.1002 -0.0288 -0.0288 -0.0261 -0.0261 0.0431 0.0431 0.2338 0.2338 0.5492 0.5492 0.9397 0.9397 5.8614 5.8614 6.9420 6.9420 k = 0.0000 0.0916-0.0000 ( 8125 PWs) bands (ev): -15.9196 -15.9196 -15.8142 -15.8142 -15.7174 -15.7174 -15.6756 -15.6756 -13.7192 -13.7192 -13.6470 -13.6470 -13.5770 -13.5770 -13.5179 -13.5179 -3.9440 -3.9440 -3.9385 -3.9385 -3.5709 -3.5709 -3.3780 -3.3780 -3.3012 -3.3012 -3.0825 -3.0825 -2.7881 -2.7881 -2.7686 -2.7686 -2.5361 -2.5361 -2.4964 -2.4964 -2.1396 -2.1396 -2.0619 -2.0619 -1.9748 -1.9748 -1.9703 -1.9703 -1.8722 -1.8722 -1.6924 -1.6924 -1.4455 -1.4455 -1.3426 -1.3426 -1.0774 -1.0774 -0.8685 -0.8685 -0.7475 -0.7475 -0.5944 -0.5944 -0.4978 -0.4978 -0.3822 -0.3822 -0.2909 -0.2909 -0.1659 -0.1659 -0.1503 -0.1503 -0.1020 -0.1020 -0.0296 -0.0296 -0.0208 -0.0208 0.0446 0.0446 0.2441 0.2441 0.5287 0.5287 0.9419 0.9419 5.8169 5.8169 6.9426 6.9426 k = 0.0000 0.0802-0.0000 ( 8133 PWs) bands (ev): -15.9219 -15.9219 -15.8119 -15.8119 -15.7183 -15.7183 -15.6747 -15.6747 -13.7221 -13.7221 -13.6470 -13.6470 -13.5768 -13.5768 -13.5148 -13.5148 -3.9599 -3.9599 -3.9485 -3.9485 -3.5686 -3.5686 -3.3835 -3.3835 -3.2951 -3.2951 -3.0759 -3.0759 -2.7872 -2.7872 -2.7665 -2.7665 -2.5366 -2.5366 -2.4951 -2.4951 -2.1287 -2.1287 -2.0669 -2.0669 -1.9741 -1.9741 -1.9573 -1.9573 -1.8687 -1.8687 -1.6833 -1.6833 -1.4466 -1.4466 -1.3355 -1.3355 -1.0824 -1.0824 -0.8709 -0.8709 -0.7482 -0.7482 -0.6115 -0.6115 -0.5024 -0.5024 -0.3745 -0.3745 -0.2804 -0.2804 -0.1636 -0.1636 -0.1564 -0.1564 -0.1030 -0.1030 -0.0309 -0.0309 -0.0142 -0.0142 0.0460 0.0460 0.2534 0.2534 0.5097 0.5097 0.9435 0.9435 5.7767 5.7767 6.9419 6.9419 k = 0.0000 0.0687-0.0000 ( 8145 PWs) bands (ev): -15.9238 -15.9238 -15.8098 -15.8098 -15.7191 -15.7191 -15.6739 -15.6739 -13.7247 -13.7247 -13.6471 -13.6471 -13.5765 -13.5765 -13.5121 -13.5121 -3.9741 -3.9741 -3.9573 -3.9573 -3.5666 -3.5666 -3.3882 -3.3882 -3.2899 -3.2899 -3.0702 -3.0702 -2.7863 -2.7863 -2.7647 -2.7647 -2.5370 -2.5370 -2.4938 -2.4938 -2.1191 -2.1191 -2.0705 -2.0705 -1.9779 -1.9779 -1.9416 -1.9416 -1.8659 -1.8659 -1.6754 -1.6754 -1.4476 -1.4476 -1.3287 -1.3287 -1.0857 -1.0857 -0.8731 -0.8731 -0.7482 -0.7482 -0.6272 -0.6272 -0.5075 -0.5075 -0.3678 -0.3678 -0.2720 -0.2720 -0.1627 -0.1627 -0.1613 -0.1613 -0.1035 -0.1035 -0.0322 -0.0322 -0.0074 -0.0074 0.0472 0.0472 0.2615 0.2615 0.4925 0.4925 0.9447 0.9447 5.7410 5.7410 6.9403 6.9403 k = 0.0000 0.0573-0.0000 ( 8145 PWs) bands (ev): -15.9255 -15.9255 -15.8081 -15.8081 -15.7198 -15.7198 -15.6732 -15.6732 -13.7269 -13.7269 -13.6473 -13.6473 -13.5763 -13.5763 -13.5097 -13.5097 -3.9864 -3.9864 -3.9648 -3.9648 -3.5651 -3.5651 -3.3922 -3.3922 -3.2856 -3.2856 -3.0653 -3.0653 -2.7855 -2.7855 -2.7630 -2.7630 -2.5373 -2.5373 -2.4928 -2.4928 -2.1115 -2.1115 -2.0719 -2.0719 -1.9819 -1.9819 -1.9277 -1.9277 -1.8638 -1.8638 -1.6687 -1.6687 -1.4485 -1.4485 -1.3223 -1.3223 -1.0874 -1.0874 -0.8749 -0.8749 -0.7478 -0.7478 -0.6412 -0.6412 -0.5127 -0.5127 -0.3619 -0.3619 -0.2654 -0.2654 -0.1665 -0.1665 -0.1613 -0.1613 -0.1034 -0.1034 -0.0332 -0.0332 -0.0006 -0.0006 0.0482 0.0482 0.2684 0.2684 0.4774 0.4774 0.9455 0.9455 5.7103 5.7103 6.9383 6.9383 k = 0.0000 0.0458-0.0000 ( 8135 PWs) bands (ev): -15.9269 -15.9269 -15.8066 -15.8066 -15.7204 -15.7204 -15.6727 -15.6727 -13.7288 -13.7288 -13.6474 -13.6474 -13.5761 -13.5761 -13.5078 -13.5078 -3.9966 -3.9966 -3.9710 -3.9710 -3.5638 -3.5638 -3.3955 -3.3955 -3.2822 -3.2822 -3.0612 -3.0612 -2.7848 -2.7848 -2.7616 -2.7616 -2.5375 -2.5375 -2.4919 -2.4919 -2.1065 -2.1065 -2.0709 -2.0709 -1.9859 -1.9859 -1.9158 -1.9158 -1.8625 -1.8625 -1.6633 -1.6633 -1.4491 -1.4491 -1.3167 -1.3167 -1.0879 -1.0879 -0.8764 -0.8764 -0.7469 -0.7469 -0.6531 -0.6531 -0.5179 -0.5179 -0.3570 -0.3570 -0.2606 -0.2606 -0.1702 -0.1702 -0.1611 -0.1611 -0.1031 -0.1031 -0.0341 -0.0341 0.0056 0.0056 0.0491 0.0491 0.2741 0.2741 0.4647 0.4647 0.9460 0.9460 5.6848 5.6848 6.9361 6.9361 k = 0.0000 0.0344-0.0000 ( 8137 PWs) bands (ev): -15.9279 -15.9279 -15.8055 -15.8055 -15.7208 -15.7208 -15.6722 -15.6722 -13.7302 -13.7302 -13.6474 -13.6474 -13.5760 -13.5760 -13.5062 -13.5062 -4.0046 -4.0046 -3.9759 -3.9759 -3.5629 -3.5629 -3.3980 -3.3980 -3.2796 -3.2796 -3.0581 -3.0581 -2.7842 -2.7842 -2.7605 -2.7605 -2.5377 -2.5377 -2.4912 -2.4912 -2.1042 -2.1042 -2.0677 -2.0677 -1.9896 -1.9896 -1.9060 -1.9060 -1.8621 -1.8621 -1.6591 -1.6591 -1.4497 -1.4497 -1.3119 -1.3119 -1.0878 -1.0878 -0.8776 -0.8776 -0.7459 -0.7459 -0.6628 -0.6628 -0.5226 -0.5226 -0.3530 -0.3530 -0.2572 -0.2572 -0.1730 -0.1730 -0.1612 -0.1612 -0.1026 -0.1026 -0.0348 -0.0348 0.0109 0.0109 0.0498 0.0498 0.2786 0.2786 0.4546 0.4546 0.9464 0.9464 5.6648 5.6648 6.9341 6.9341 k = 0.0000 0.0229-0.0000 ( 8137 PWs) bands (ev): -15.9287 -15.9287 -15.8046 -15.8046 -15.7211 -15.7211 -15.6719 -15.6719 -13.7313 -13.7313 -13.6475 -13.6475 -13.5759 -13.5759 -13.5051 -13.5051 -4.0103 -4.0103 -3.9794 -3.9794 -3.5623 -3.5623 -3.3998 -3.3998 -3.2778 -3.2778 -3.0558 -3.0558 -2.7838 -2.7838 -2.7597 -2.7597 -2.5379 -2.5379 -2.4907 -2.4907 -2.1034 -2.1034 -2.0640 -2.0640 -1.9929 -1.9929 -1.8983 -1.8983 -1.8624 -1.8624 -1.6561 -1.6561 -1.4501 -1.4501 -1.3084 -1.3084 -1.0874 -1.0874 -0.8785 -0.8785 -0.7448 -0.7448 -0.6698 -0.6698 -0.5264 -0.5264 -0.3502 -0.3502 -0.2550 -0.2550 -0.1750 -0.1750 -0.1613 -0.1613 -0.1021 -0.1021 -0.0353 -0.0353 0.0150 0.0150 0.0503 0.0503 0.2817 0.2817 0.4472 0.4472 0.9465 0.9465 5.6503 5.6503 6.9325 6.9325 k = 0.0000 0.0115-0.0000 ( 8115 PWs) bands (ev): -15.9292 -15.9292 -15.8042 -15.8042 -15.7213 -15.7213 -15.6717 -15.6717 -13.7319 -13.7319 -13.6475 -13.6475 -13.5758 -13.5758 -13.5044 -13.5044 -4.0138 -4.0138 -3.9815 -3.9815 -3.5619 -3.5619 -3.4008 -3.4008 -3.2767 -3.2767 -3.0544 -3.0544 -2.7835 -2.7835 -2.7592 -2.7592 -2.5379 -2.5379 -2.4904 -2.4904 -2.1033 -2.1033 -2.0610 -2.0610 -1.9951 -1.9951 -1.8933 -1.8933 -1.8630 -1.8630 -1.6543 -1.6543 -1.4503 -1.4503 -1.3061 -1.3061 -1.0870 -1.0870 -0.8790 -0.8790 -0.7441 -0.7441 -0.6742 -0.6742 -0.5289 -0.5289 -0.3484 -0.3484 -0.2538 -0.2538 -0.1762 -0.1762 -0.1614 -0.1614 -0.1018 -0.1018 -0.0356 -0.0356 0.0175 0.0175 0.0505 0.0505 0.2836 0.2836 0.4428 0.4428 0.9466 0.9466 5.6416 5.6416 6.9315 6.9315 k = 0.0000 0.0000 0.0000 ( 8113 PWs) bands (ev): -15.9293 -15.9293 -15.8040 -15.8040 -15.7214 -15.7214 -15.6717 -15.6717 -13.7321 -13.7321 -13.6476 -13.6476 -13.5758 -13.5758 -13.5042 -13.5042 -4.0150 -4.0150 -3.9822 -3.9822 -3.5618 -3.5618 -3.4012 -3.4012 -3.2763 -3.2763 -3.0540 -3.0540 -2.7834 -2.7834 -2.7590 -2.7590 -2.5380 -2.5380 -2.4902 -2.4902 -2.1033 -2.1033 -2.0599 -2.0599 -1.9959 -1.9959 -1.8915 -1.8915 -1.8633 -1.8633 -1.6537 -1.6537 -1.4504 -1.4504 -1.3054 -1.3054 -1.0868 -1.0868 -0.8792 -0.8792 -0.7438 -0.7438 -0.6756 -0.6756 -0.5298 -0.5298 -0.3478 -0.3478 -0.2534 -0.2534 -0.1767 -0.1767 -0.1615 -0.1615 -0.1017 -0.1017 -0.0357 -0.0357 0.0184 0.0184 0.0506 0.0506 0.2843 0.2843 0.4413 0.4413 0.9467 0.9467 5.6387 5.6387 6.9312 6.9312 k = 0.0000 0.0000 0.0000 ( 8113 PWs) bands (ev): -15.9293 -15.9293 -15.8040 -15.8040 -15.7214 -15.7214 -15.6717 -15.6717 -13.7321 -13.7321 -13.6476 -13.6476 -13.5758 -13.5758 -13.5042 -13.5042 -4.0150 -4.0150 -3.9822 -3.9822 -3.5618 -3.5618 -3.4012 -3.4012 -3.2763 -3.2763 -3.0540 -3.0540 -2.7834 -2.7834 -2.7590 -2.7590 -2.5380 -2.5380 -2.4902 -2.4902 -2.1033 -2.1033 -2.0599 -2.0599 -1.9959 -1.9959 -1.8915 -1.8915 -1.8633 -1.8633 -1.6537 -1.6537 -1.4504 -1.4504 -1.3054 -1.3054 -1.0868 -1.0868 -0.8792 -0.8792 -0.7438 -0.7438 -0.6756 -0.6756 -0.5298 -0.5298 -0.3478 -0.3478 -0.2534 -0.2534 -0.1767 -0.1767 -0.1615 -0.1615 -0.1017 -0.1017 -0.0357 -0.0357 0.0184 0.0184 0.0506 0.0506 0.2843 0.2843 0.4413 0.4413 0.9467 0.9467 5.6387 5.6387 6.9312 6.9312 k = 0.0000 0.0000 0.0116 ( 8121 PWs) bands (ev): -15.9291 -15.9291 -15.8041 -15.8041 -15.7214 -15.7214 -15.6718 -15.6718 -13.7320 -13.7320 -13.6477 -13.6477 -13.5757 -13.5757 -13.5043 -13.5043 -4.0144 -4.0144 -3.9819 -3.9819 -3.5617 -3.5617 -3.4007 -3.4007 -3.2771 -3.2771 -3.0544 -3.0544 -2.7837 -2.7837 -2.7594 -2.7594 -2.5379 -2.5379 -2.4904 -2.4904 -2.1031 -2.1031 -2.0599 -2.0599 -1.9953 -1.9953 -1.8921 -1.8921 -1.8637 -1.8637 -1.6541 -1.6541 -1.4500 -1.4500 -1.3046 -1.3046 -1.0872 -1.0872 -0.8794 -0.8794 -0.7526 -0.7526 -0.6667 -0.6667 -0.5279 -0.5279 -0.3479 -0.3479 -0.2544 -0.2544 -0.1766 -0.1766 -0.1611 -0.1611 -0.1023 -0.1023 -0.0356 -0.0356 0.0180 0.0180 0.0506 0.0506 0.2838 0.2838 0.4418 0.4418 0.9458 0.9458 5.6408 5.6408 6.9293 6.9293 k = 0.0000 0.0000 0.0231 ( 8125 PWs) bands (ev): -15.9285 -15.9285 -15.8044 -15.8044 -15.7214 -15.7214 -15.6721 -15.6721 -13.7315 -13.7315 -13.6480 -13.6480 -13.5754 -13.5754 -13.5047 -13.5047 -4.0128 -4.0128 -3.9811 -3.9811 -3.5617 -3.5617 -3.3991 -3.3991 -3.2793 -3.2793 -3.0558 -3.0558 -2.7843 -2.7843 -2.7604 -2.7604 -2.5379 -2.5379 -2.4908 -2.4908 -2.1025 -2.1025 -2.0596 -2.0596 -1.9936 -1.9936 -1.8938 -1.8938 -1.8647 -1.8647 -1.6553 -1.6553 -1.4487 -1.4487 -1.3022 -1.3022 -1.0884 -1.0884 -0.8801 -0.8801 -0.7716 -0.7716 -0.6472 -0.6472 -0.5223 -0.5223 -0.3481 -0.3481 -0.2576 -0.2576 -0.1763 -0.1763 -0.1601 -0.1601 -0.1037 -0.1037 -0.0352 -0.0352 0.0170 0.0170 0.0504 0.0504 0.2825 0.2825 0.4432 0.4432 0.9434 0.9434 5.6473 5.6473 6.9238 6.9238 k = 0.0000 0.0000 0.0347 ( 8121 PWs) bands (ev): -15.9275 -15.9275 -15.8050 -15.8050 -15.7215 -15.7215 -15.6726 -15.6726 -13.7308 -13.7308 -13.6486 -13.6486 -13.5748 -13.5748 -13.5052 -13.5052 -4.0102 -4.0102 -3.9797 -3.9797 -3.5615 -3.5615 -3.3965 -3.3965 -3.2829 -3.2829 -3.0580 -3.0580 -2.7854 -2.7854 -2.7620 -2.7620 -2.5377 -2.5377 -2.4915 -2.4915 -2.1015 -2.1015 -2.0592 -2.0592 -1.9908 -1.9908 -1.8965 -1.8965 -1.8665 -1.8665 -1.6575 -1.6575 -1.4466 -1.4466 -1.2978 -1.2978 -1.0905 -1.0905 -0.8811 -0.8811 -0.7935 -0.7935 -0.6244 -0.6244 -0.5133 -0.5133 -0.3484 -0.3484 -0.2631 -0.2631 -0.1758 -0.1758 -0.1590 -0.1590 -0.1055 -0.1055 -0.0345 -0.0345 0.0152 0.0152 0.0501 0.0501 0.2803 0.2803 0.4456 0.4456 0.9393 0.9393 5.6580 5.6580 6.9146 6.9146 k = 0.0000 0.0000 0.0463 ( 8121 PWs) bands (ev): -15.9260 -15.9260 -15.8058 -15.8058 -15.7216 -15.7216 -15.6734 -15.6734 -13.7297 -13.7297 -13.6494 -13.6494 -13.5741 -13.5741 -13.5060 -13.5060 -4.0066 -4.0066 -3.9778 -3.9778 -3.5614 -3.5614 -3.3929 -3.3929 -3.2879 -3.2879 -3.0612 -3.0612 -2.7868 -2.7868 -2.7641 -2.7641 -2.5376 -2.5376 -2.4924 -2.4924 -2.1002 -2.1002 -2.0586 -2.0586 -1.9870 -1.9870 -1.9002 -1.9002 -1.8690 -1.8690 -1.6610 -1.6610 -1.4436 -1.4436 -1.2910 -1.2910 -1.0934 -1.0934 -0.8827 -0.8827 -0.8157 -0.8157 -0.6007 -0.6007 -0.5012 -0.5012 -0.3488 -0.3488 -0.2712 -0.2712 -0.1748 -0.1748 -0.1584 -0.1584 -0.1066 -0.1066 -0.0336 -0.0336 0.0129 0.0129 0.0496 0.0496 0.2772 0.2772 0.4491 0.4491 0.9335 0.9335 5.6728 5.6728 6.9018 6.9018 k = 0.0000 0.0000 0.0578 ( 8107 PWs) bands (ev): -15.9242 -15.9242 -15.8069 -15.8069 -15.7217 -15.7217 -15.6743 -15.6743 -13.7284 -13.7284 -13.6503 -13.6503 -13.5731 -13.5731 -13.5070 -13.5070 -4.0021 -4.0021 -3.9754 -3.9754 -3.5611 -3.5611 -3.3882 -3.3882 -3.2942 -3.2942 -3.0652 -3.0652 -2.7886 -2.7886 -2.7668 -2.7668 -2.5373 -2.5373 -2.4936 -2.4936 -2.0984 -2.0984 -2.0576 -2.0576 -1.9823 -1.9823 -1.9047 -1.9047 -1.8721 -1.8721 -1.6661 -1.6661 -1.4398 -1.4398 -1.2815 -1.2815 -1.0975 -1.0975 -0.8846 -0.8846 -0.8371 -0.8371 -0.5773 -0.5773 -0.4864 -0.4864 -0.3493 -0.3493 -0.2822 -0.2822 -0.1735 -0.1735 -0.1590 -0.1590 -0.1061 -0.1061 -0.0324 -0.0324 0.0100 0.0100 0.0491 0.0491 0.2731 0.2731 0.4536 0.4536 0.9262 0.9262 5.6917 5.6917 6.8854 6.8854 k = 0.0000 0.0000 0.0694 ( 8105 PWs) bands (ev): -15.9219 -15.9219 -15.8083 -15.8083 -15.7217 -15.7217 -15.6755 -15.6755 -13.7268 -13.7268 -13.6516 -13.6516 -13.5720 -13.5720 -13.5082 -13.5082 -3.9968 -3.9968 -3.9726 -3.9726 -3.5607 -3.5607 -3.3826 -3.3826 -3.3018 -3.3018 -3.0702 -3.0702 -2.7907 -2.7907 -2.7700 -2.7700 -2.5369 -2.5369 -2.4949 -2.4949 -2.0962 -2.0962 -2.0561 -2.0561 -1.9769 -1.9769 -1.9098 -1.9098 -1.8760 -1.8760 -1.6729 -1.6729 -1.4352 -1.4352 -1.2688 -1.2688 -1.1026 -1.1026 -0.8870 -0.8870 -0.8571 -0.8571 -0.5545 -0.5545 -0.4694 -0.4694 -0.3499 -0.3499 -0.2966 -0.2966 -0.1719 -0.1719 -0.1608 -0.1608 -0.1032 -0.1032 -0.0311 -0.0311 0.0066 0.0066 0.0485 0.0485 0.2682 0.2682 0.4592 0.4592 0.9173 0.9173 5.7144 5.7144 6.8656 6.8656 k = 0.0000 0.0000 0.0810 ( 8113 PWs) bands (ev): -15.9193 -15.9193 -15.8100 -15.8100 -15.7217 -15.7217 -15.6768 -15.6768 -13.7250 -13.7250 -13.6530 -13.6530 -13.5706 -13.5706 -13.5096 -13.5096 -3.9907 -3.9907 -3.9693 -3.9693 -3.5601 -3.5601 -3.3761 -3.3761 -3.3106 -3.3106 -3.0760 -3.0760 -2.7930 -2.7930 -2.7735 -2.7735 -2.5366 -2.5366 -2.4965 -2.4965 -2.0935 -2.0935 -2.0543 -2.0543 -1.9709 -1.9709 -1.9156 -1.9156 -1.8806 -1.8806 -1.6816 -1.6816 -1.4298 -1.4298 -1.2529 -1.2529 -1.1090 -1.1090 -0.8900 -0.8900 -0.8751 -0.8751 -0.5326 -0.5326 -0.4509 -0.4509 -0.3507 -0.3507 -0.3146 -0.3146 -0.1705 -0.1705 -0.1630 -0.1630 -0.0981 -0.0981 -0.0296 -0.0296 0.0028 0.0028 0.0478 0.0478 0.2624 0.2624 0.4659 0.4659 0.9068 0.9068 5.7409 5.7409 6.8423 6.8423 k = 0.0000 0.0000 0.0925 ( 8099 PWs) bands (ev): -15.9164 -15.9164 -15.8121 -15.8121 -15.7215 -15.7215 -15.6784 -15.6784 -13.7229 -13.7229 -13.6546 -13.6546 -13.5691 -13.5691 -13.5112 -13.5112 -3.9841 -3.9841 -3.9656 -3.9656 -3.5593 -3.5593 -3.3689 -3.3689 -3.3202 -3.3202 -3.0827 -3.0827 -2.7954 -2.7954 -2.7773 -2.7773 -2.5361 -2.5361 -2.4982 -2.4982 -2.0905 -2.0905 -2.0518 -2.0518 -1.9644 -1.9644 -1.9217 -1.9217 -1.8858 -1.8858 -1.6918 -1.6918 -1.4236 -1.4236 -1.2339 -1.2339 -1.1164 -1.1164 -0.8955 -0.8955 -0.8888 -0.8888 -0.5120 -0.5120 -0.4312 -0.4312 -0.3517 -0.3517 -0.3361 -0.3361 -0.1711 -0.1711 -0.1631 -0.1631 -0.0910 -0.0910 -0.0281 -0.0281 -0.0012 -0.0012 0.0470 0.0470 0.2557 0.2557 0.4739 0.4739 0.8948 0.8948 5.7709 5.7709 6.8158 6.8158 k = 0.0000 0.0000 0.1041 ( 8115 PWs) bands (ev): -15.9130 -15.9130 -15.8145 -15.8145 -15.7211 -15.7211 -15.6801 -15.6801 -13.7206 -13.7206 -13.6564 -13.6564 -13.5674 -13.5674 -13.5129 -13.5129 -3.9771 -3.9771 -3.9617 -3.9617 -3.5581 -3.5581 -3.3617 -3.3617 -3.3299 -3.3299 -3.0902 -3.0902 -2.7980 -2.7980 -2.7813 -2.7813 -2.5356 -2.5356 -2.5001 -2.5001 -2.0870 -2.0870 -2.0489 -2.0489 -1.9576 -1.9576 -1.9282 -1.9282 -1.8915 -1.8915 -1.7035 -1.7035 -1.4166 -1.4166 -1.2124 -1.2124 -1.1246 -1.1246 -0.9071 -0.9071 -0.8944 -0.8944 -0.4928 -0.4928 -0.4111 -0.4111 -0.3627 -0.3627 -0.3512 -0.3512 -0.1740 -0.1740 -0.1606 -0.1606 -0.0826 -0.0826 -0.0267 -0.0267 -0.0051 -0.0051 0.0464 0.0464 0.2481 0.2481 0.4832 0.4832 0.8814 0.8814 5.8041 5.8041 6.7861 6.7861 k = 0.0000 0.0000 0.1157 ( 8113 PWs) bands (ev): -15.9094 -15.9094 -15.8173 -15.8173 -15.7206 -15.7206 -15.6819 -15.6819 -13.7181 -13.7181 -13.6584 -13.6584 -13.5655 -13.5655 -13.5149 -13.5149 -3.9699 -3.9699 -3.9575 -3.9575 -3.5566 -3.5566 -3.3578 -3.3578 -3.3365 -3.3365 -3.0985 -3.0985 -2.8006 -2.8006 -2.7853 -2.7853 -2.5350 -2.5350 -2.5020 -2.5020 -2.0830 -2.0830 -2.0454 -2.0454 -1.9511 -1.9511 -1.9343 -1.9343 -1.8978 -1.8978 -1.7163 -1.7163 -1.4089 -1.4089 -1.1903 -1.1903 -1.1317 -1.1317 -0.9183 -0.9183 -0.8982 -0.8982 -0.4751 -0.4751 -0.3922 -0.3922 -0.3897 -0.3897 -0.3523 -0.3523 -0.1774 -0.1774 -0.1567 -0.1567 -0.0733 -0.0733 -0.0259 -0.0259 -0.0085 -0.0085 0.0459 0.0459 0.2396 0.2396 0.4938 0.4938 0.8665 0.8665 5.8404 5.8404 6.7534 6.7534 k = 0.0000 0.0000 0.1272 ( 8101 PWs) bands (ev): -15.9055 -15.9055 -15.8204 -15.8204 -15.7199 -15.7199 -15.6839 -15.6839 -13.7154 -13.7154 -13.6606 -13.6606 -13.5634 -13.5634 -13.5170 -13.5170 -3.9626 -3.9626 -3.9531 -3.9531 -3.5544 -3.5544 -3.3639 -3.3639 -3.3330 -3.3330 -3.1077 -3.1077 -2.8031 -2.8031 -2.7893 -2.7893 -2.5342 -2.5342 -2.5041 -2.5041 -2.0786 -2.0786 -2.0413 -2.0413 -1.9482 -1.9482 -1.9372 -1.9372 -1.9043 -1.9043 -1.7299 -1.7299 -1.4004 -1.4004 -1.1753 -1.1753 -1.1300 -1.1300 -0.9273 -0.9273 -0.9019 -0.9019 -0.4590 -0.4590 -0.4228 -0.4228 -0.3720 -0.3720 -0.3520 -0.3520 -0.1809 -0.1809 -0.1521 -0.1521 -0.0639 -0.0639 -0.0264 -0.0264 -0.0103 -0.0103 0.0459 0.0459 0.2303 0.2303 0.5058 0.5058 0.8504 0.8504 5.8795 5.8795 6.7179 6.7179 k = 0.0000 0.0000 0.1388 ( 8103 PWs) bands (ev): -15.9013 -15.9013 -15.8239 -15.8239 -15.7190 -15.7190 -15.6860 -15.6860 -13.7126 -13.7126 -13.6630 -13.6630 -13.5613 -13.5613 -13.5192 -13.5192 -3.9555 -3.9555 -3.9487 -3.9487 -3.5515 -3.5515 -3.3758 -3.3758 -3.3236 -3.3236 -3.1176 -3.1176 -2.8055 -2.8055 -2.7933 -2.7933 -2.5334 -2.5334 -2.5062 -2.5062 -2.0737 -2.0737 -2.0367 -2.0367 -1.9530 -1.9530 -1.9330 -1.9330 -1.9104 -1.9104 -1.7440 -1.7440 -1.3912 -1.3912 -1.1776 -1.1776 -1.1097 -1.1097 -0.9343 -0.9343 -0.9056 -0.9056 -0.4579 -0.4579 -0.4439 -0.4439 -0.3607 -0.3607 -0.3447 -0.3447 -0.1845 -0.1845 -0.1470 -0.1470 -0.0556 -0.0556 -0.0280 -0.0280 -0.0100 -0.0100 0.0464 0.0464 0.2201 0.2201 0.5191 0.5191 0.8330 0.8330 5.9211 5.9211 6.6798 6.6798 k = 0.0000 0.0000 0.1504 ( 8111 PWs) bands (ev): -15.8968 -15.8968 -15.8277 -15.8277 -15.7178 -15.7178 -15.6882 -15.6882 -13.7096 -13.7096 -13.6655 -13.6655 -13.5590 -13.5590 -13.5216 -13.5216 -3.9488 -3.9488 -3.9442 -3.9442 -3.5478 -3.5478 -3.3895 -3.3895 -3.3123 -3.3123 -3.1282 -3.1282 -2.8077 -2.8077 -2.7970 -2.7970 -2.5324 -2.5324 -2.5084 -2.5084 -2.0683 -2.0683 -2.0315 -2.0315 -1.9603 -1.9603 -1.9297 -1.9297 -1.9135 -1.9135 -1.7583 -1.7583 -1.3812 -1.3812 -1.1887 -1.1887 -1.0793 -1.0793 -0.9392 -0.9392 -0.9092 -0.9092 -0.4946 -0.4946 -0.4312 -0.4312 -0.3596 -0.3596 -0.3282 -0.3282 -0.1882 -0.1882 -0.1412 -0.1412 -0.0506 -0.0506 -0.0283 -0.0283 -0.0081 -0.0081 0.0481 0.0481 0.2092 0.2092 0.5338 0.5338 0.8145 0.8145 5.9649 5.9649 6.6392 6.6392 k = 0.0000 0.0000 0.1619 ( 8111 PWs) bands (ev): -15.8921 -15.8921 -15.8319 -15.8319 -15.7164 -15.7164 -15.6904 -15.6904 -13.7065 -13.7065 -13.6682 -13.6682 -13.5565 -13.5565 -13.5240 -13.5240 -3.9426 -3.9426 -3.9399 -3.9399 -3.5430 -3.5430 -3.4040 -3.4040 -3.3000 -3.3000 -3.1395 -3.1395 -2.8096 -2.8096 -2.8005 -2.8005 -2.5314 -2.5314 -2.5105 -2.5105 -2.0625 -2.0625 -2.0258 -2.0258 -1.9683 -1.9683 -1.9332 -1.9332 -1.9093 -1.9093 -1.7725 -1.7725 -1.3705 -1.3705 -1.2025 -1.2025 -1.0451 -1.0451 -0.9424 -0.9424 -0.9125 -0.9125 -0.5334 -0.5334 -0.4199 -0.4199 -0.3607 -0.3607 -0.3108 -0.3108 -0.1922 -0.1922 -0.1350 -0.1350 -0.0513 -0.0513 -0.0252 -0.0252 -0.0054 -0.0054 0.0515 0.0515 0.1974 0.1974 0.5497 0.5497 0.7951 0.7951 6.0106 6.0106 6.5964 6.5964 k = 0.0000 0.0000 0.1735 ( 8109 PWs) bands (ev): -15.8873 -15.8873 -15.8363 -15.8363 -15.7149 -15.7149 -15.6928 -15.6928 -13.7033 -13.7033 -13.6711 -13.6711 -13.5540 -13.5540 -13.5266 -13.5266 -3.9373 -3.9373 -3.9358 -3.9358 -3.5372 -3.5372 -3.4189 -3.4189 -3.2871 -3.2871 -3.1515 -3.1515 -2.8112 -2.8112 -2.8037 -2.8037 -2.5302 -2.5302 -2.5126 -2.5126 -2.0562 -2.0562 -2.0195 -2.0195 -1.9765 -1.9765 -1.9403 -1.9403 -1.9014 -1.9014 -1.7865 -1.7865 -1.3592 -1.3592 -1.2175 -1.2175 -1.0095 -1.0095 -0.9439 -0.9439 -0.9149 -0.9149 -0.5739 -0.5739 -0.4099 -0.4099 -0.3623 -0.3623 -0.2942 -0.2942 -0.1966 -0.1966 -0.1284 -0.1284 -0.0558 -0.0558 -0.0204 -0.0204 -0.0028 -0.0028 0.0572 0.0572 0.1850 0.1850 0.5670 0.5670 0.7748 0.7748 6.0579 6.0579 6.5516 6.5516 k = 0.0000 0.0000 0.1851 ( 8111 PWs) bands (ev): -15.8822 -15.8822 -15.8410 -15.8410 -15.7131 -15.7131 -15.6952 -15.6952 -13.7000 -13.7000 -13.6740 -13.6740 -13.5514 -13.5514 -13.5293 -13.5293 -3.9330 -3.9330 -3.9319 -3.9319 -3.5301 -3.5301 -3.4338 -3.4338 -3.2737 -3.2737 -3.1640 -3.1640 -2.8125 -2.8125 -2.8065 -2.8065 -2.5289 -2.5289 -2.5147 -2.5147 -2.0495 -2.0495 -2.0128 -2.0128 -1.9850 -1.9850 -1.9484 -1.9484 -1.8922 -1.8922 -1.8002 -1.8002 -1.3473 -1.3473 -1.2328 -1.2328 -0.9758 -0.9758 -0.9435 -0.9435 -0.9141 -0.9141 -0.6156 -0.6156 -0.4012 -0.4012 -0.3644 -0.3644 -0.2787 -0.2787 -0.2017 -0.2017 -0.1214 -0.1214 -0.0620 -0.0620 -0.0158 -0.0158 -0.0009 -0.0009 0.0654 0.0654 0.1720 0.1720 0.5853 0.5853 0.7539 0.7539 6.1065 6.1065 6.5052 6.5052 k = 0.0000 0.0000 0.1966 ( 8096 PWs) bands (ev): -15.8771 -15.8771 -15.8459 -15.8459 -15.7112 -15.7112 -15.6976 -15.6976 -13.6967 -13.6967 -13.6771 -13.6771 -13.5487 -13.5487 -13.5320 -13.5320 -3.9296 -3.9296 -3.9286 -3.9286 -3.5218 -3.5218 -3.4485 -3.4485 -3.2600 -3.2600 -3.1769 -3.1769 -2.8134 -2.8134 -2.8089 -2.8089 -2.5275 -2.5275 -2.5168 -2.5168 -2.0423 -2.0423 -2.0057 -2.0057 -1.9935 -1.9935 -1.9568 -1.9568 -1.8824 -1.8824 -1.8134 -1.8134 -1.3347 -1.3347 -1.2483 -1.2483 -0.9543 -0.9543 -0.9405 -0.9405 -0.9011 -0.9011 -0.6582 -0.6582 -0.3937 -0.3937 -0.3668 -0.3668 -0.2647 -0.2647 -0.2074 -0.2074 -0.1141 -0.1141 -0.0689 -0.0689 -0.0119 -0.0119 -0.0001 -0.0001 0.0760 0.0760 0.1584 0.1584 0.6047 0.6047 0.7325 0.7325 6.1562 6.1562 6.4573 6.4573 k = 0.0000 0.0000 0.2082 ( 8094 PWs) bands (ev): -15.8719 -15.8719 -15.8509 -15.8509 -15.7092 -15.7092 -15.7000 -15.7000 -13.6934 -13.6934 -13.6802 -13.6802 -13.5459 -13.5459 -13.5347 -13.5347 -3.9271 -3.9271 -3.9262 -3.9262 -3.5122 -3.5122 -3.4628 -3.4628 -3.2461 -3.2461 -3.1903 -3.1903 -2.8138 -2.8138 -2.8108 -2.8108 -2.5260 -2.5260 -2.5188 -2.5188 -2.0348 -2.0348 -2.0020 -2.0020 -1.9982 -1.9982 -1.9653 -1.9653 -1.8721 -1.8721 -1.8261 -1.8261 -1.3215 -1.3215 -1.2636 -1.2636 -0.9480 -0.9480 -0.9389 -0.9389 -0.8694 -0.8694 -0.7013 -0.7013 -0.3873 -0.3873 -0.3698 -0.3698 -0.2519 -0.2519 -0.2141 -0.2141 -0.1067 -0.1067 -0.0762 -0.0762 -0.0085 -0.0085 -0.0004 -0.0004 0.0884 0.0884 0.1444 0.1444 0.6250 0.6250 0.7108 0.7108 6.2065 6.2065 6.4082 6.4082 k = 0.0000 0.0000 0.2198 ( 8094 PWs) bands (ev): -15.8666 -15.8666 -15.8561 -15.8561 -15.7070 -15.7070 -15.7024 -15.7024 -13.6900 -13.6900 -13.6834 -13.6834 -13.5431 -13.5431 -13.5375 -13.5375 -3.9254 -3.9254 -3.9249 -3.9249 -3.5014 -3.5014 -3.4765 -3.4765 -3.2320 -3.2320 -3.2040 -3.2040 -2.8138 -2.8138 -2.8123 -2.8123 -2.5243 -2.5243 -2.5207 -2.5207 -2.0269 -2.0269 -2.0105 -2.0105 -1.9903 -1.9903 -1.9738 -1.9738 -1.8613 -1.8613 -1.8384 -1.8384 -1.3077 -1.3077 -1.2787 -1.2787 -0.9451 -0.9451 -0.9403 -0.9403 -0.8298 -0.8298 -0.7446 -0.7446 -0.3818 -0.3818 -0.3732 -0.3732 -0.2406 -0.2406 -0.2217 -0.2217 -0.0990 -0.0990 -0.0837 -0.0837 -0.0057 -0.0057 -0.0015 -0.0015 0.1018 0.1018 0.1302 0.1302 0.6459 0.6459 0.6890 0.6890 6.2571 6.2571 6.3583 6.3583 k = 0.0000 0.0000 0.2313 ( 8106 PWs) bands (ev): -15.8613 -15.8613 -15.8613 -15.8613 -15.7047 -15.7047 -15.7047 -15.7047 -13.6867 -13.6867 -13.6867 -13.6867 -13.5403 -13.5403 -13.5403 -13.5403 -3.9247 -3.9247 -3.9247 -3.9247 -3.4895 -3.4895 -3.4895 -3.4895 -3.2179 -3.2179 -3.2179 -3.2179 -2.8133 -2.8133 -2.8133 -2.8133 -2.5226 -2.5226 -2.5226 -2.5226 -2.0188 -2.0188 -2.0188 -2.0188 -1.9822 -1.9822 -1.9822 -1.9822 -1.8501 -1.8501 -1.8501 -1.8501 -1.2934 -1.2934 -1.2934 -1.2934 -0.9425 -0.9425 -0.9425 -0.9425 -0.7877 -0.7877 -0.7877 -0.7877 -0.3772 -0.3772 -0.3772 -0.3772 -0.2305 -0.2305 -0.2305 -0.2305 -0.0914 -0.0914 -0.0914 -0.0914 -0.0033 -0.0033 -0.0033 -0.0033 0.1159 0.1159 0.1159 0.1159 0.6673 0.6673 0.6673 0.6673 6.3079 6.3079 6.3079 6.3079 k = 0.0000 0.0000 0.2313 ( 8106 PWs) bands (ev): -15.8613 -15.8613 -15.8613 -15.8613 -15.7047 -15.7047 -15.7047 -15.7047 -13.6867 -13.6867 -13.6867 -13.6867 -13.5403 -13.5403 -13.5403 -13.5403 -3.9247 -3.9247 -3.9247 -3.9247 -3.4895 -3.4895 -3.4895 -3.4895 -3.2179 -3.2179 -3.2179 -3.2179 -2.8133 -2.8133 -2.8133 -2.8133 -2.5226 -2.5226 -2.5226 -2.5226 -2.0188 -2.0188 -2.0188 -2.0188 -1.9822 -1.9822 -1.9822 -1.9822 -1.8501 -1.8501 -1.8501 -1.8501 -1.2934 -1.2934 -1.2934 -1.2934 -0.9425 -0.9425 -0.9425 -0.9425 -0.7877 -0.7877 -0.7877 -0.7877 -0.3772 -0.3772 -0.3772 -0.3772 -0.2305 -0.2305 -0.2305 -0.2305 -0.0914 -0.0914 -0.0914 -0.0914 -0.0033 -0.0033 -0.0033 -0.0033 0.1159 0.1159 0.1159 0.1159 0.6673 0.6673 0.6673 0.6673 6.3079 6.3079 6.3079 6.3079 k = 0.0116-0.0000 0.2313 ( 8102 PWs) bands (ev): -15.8612 -15.8612 -15.8612 -15.8612 -15.7047 -15.7047 -15.7047 -15.7047 -13.6865 -13.6865 -13.6865 -13.6865 -13.5402 -13.5402 -13.5402 -13.5402 -3.9244 -3.9244 -3.9244 -3.9244 -3.4897 -3.4897 -3.4891 -3.4891 -3.2183 -3.2183 -3.2175 -3.2175 -2.8136 -2.8136 -2.8132 -2.8132 -2.5233 -2.5233 -2.5225 -2.5225 -2.0213 -2.0213 -2.0180 -2.0180 -1.9822 -1.9822 -1.9820 -1.9820 -1.8531 -1.8531 -1.8482 -1.8482 -1.2935 -1.2935 -1.2928 -1.2928 -0.9470 -0.9470 -0.9408 -0.9408 -0.7882 -0.7882 -0.7853 -0.7853 -0.3818 -0.3818 -0.3798 -0.3798 -0.2297 -0.2297 -0.2289 -0.2289 -0.0915 -0.0915 -0.0914 -0.0914 -0.0043 -0.0043 -0.0031 -0.0031 0.1152 0.1152 0.1166 0.1166 0.6677 0.6677 0.6679 0.6679 6.3097 6.3097 6.3097 6.3097 k = 0.0233-0.0000 0.2313 ( 8098 PWs) bands (ev): -15.8609 -15.8609 -15.8609 -15.8609 -15.7045 -15.7045 -15.7045 -15.7045 -13.6859 -13.6859 -13.6859 -13.6859 -13.5398 -13.5398 -13.5398 -13.5398 -3.9236 -3.9236 -3.9235 -3.9235 -3.4897 -3.4897 -3.4884 -3.4884 -3.2186 -3.2186 -3.2169 -3.2169 -2.8143 -2.8143 -2.8134 -2.8134 -2.5245 -2.5245 -2.5231 -2.5231 -2.0253 -2.0253 -2.0192 -2.0192 -1.9826 -1.9826 -1.9816 -1.9816 -1.8571 -1.8571 -1.8474 -1.8474 -1.2931 -1.2931 -1.2917 -1.2917 -0.9537 -0.9537 -0.9419 -0.9419 -0.7865 -0.7865 -0.7812 -0.7812 -0.3930 -0.3930 -0.3893 -0.3893 -0.2267 -0.2267 -0.2252 -0.2252 -0.0918 -0.0918 -0.0917 -0.0917 -0.0058 -0.0058 -0.0035 -0.0035 0.1147 0.1147 0.1173 0.1173 0.6692 0.6692 0.6695 0.6695 6.3151 6.3151 6.3151 6.3151 k = 0.0349-0.0000 0.2313 ( 8102 PWs) bands (ev): -15.8605 -15.8605 -15.8605 -15.8605 -15.7042 -15.7042 -15.7042 -15.7042 -13.6849 -13.6849 -13.6849 -13.6849 -13.5391 -13.5391 -13.5391 -13.5391 -3.9221 -3.9221 -3.9220 -3.9220 -3.4895 -3.4895 -3.4876 -3.4876 -3.2189 -3.2189 -3.2163 -3.2163 -2.8152 -2.8152 -2.8138 -2.8138 -2.5265 -2.5265 -2.5243 -2.5243 -2.0303 -2.0303 -2.0224 -2.0224 -1.9839 -1.9839 -1.9810 -1.9810 -1.8621 -1.8621 -1.8474 -1.8474 -1.2921 -1.2921 -1.2901 -1.2901 -0.9623 -0.9623 -0.9457 -0.9457 -0.7830 -0.7830 -0.7758 -0.7758 -0.4100 -0.4100 -0.4049 -0.4049 -0.2222 -0.2222 -0.2204 -0.2204 -0.0923 -0.0923 -0.0922 -0.0922 -0.0080 -0.0080 -0.0047 -0.0047 0.1142 0.1142 0.1181 0.1181 0.6716 0.6716 0.6720 0.6720 6.3241 6.3241 6.3241 6.3241 k = 0.0465-0.0000 0.2313 ( 8100 PWs) bands (ev): -15.8598 -15.8598 -15.8598 -15.8598 -15.7038 -15.7038 -15.7038 -15.7038 -13.6835 -13.6835 -13.6835 -13.6835 -13.5381 -13.5381 -13.5381 -13.5381 -3.9202 -3.9202 -3.9200 -3.9200 -3.4891 -3.4891 -3.4866 -3.4866 -3.2191 -3.2191 -3.2157 -3.2157 -2.8163 -2.8163 -2.8146 -2.8146 -2.5289 -2.5289 -2.5261 -2.5261 -2.0362 -2.0362 -2.0273 -2.0273 -1.9863 -1.9863 -1.9809 -1.9809 -1.8675 -1.8675 -1.8481 -1.8481 -1.2906 -1.2906 -1.2881 -1.2881 -0.9722 -0.9722 -0.9515 -0.9515 -0.7780 -0.7780 -0.7697 -0.7697 -0.4317 -0.4317 -0.4254 -0.4254 -0.2170 -0.2170 -0.2152 -0.2152 -0.0930 -0.0930 -0.0928 -0.0928 -0.0109 -0.0109 -0.0068 -0.0068 0.1138 0.1138 0.1188 0.1188 0.6749 0.6749 0.6754 0.6754 6.3365 6.3365 6.3366 6.3366 k = 0.0581-0.0000 0.2313 ( 8106 PWs) bands (ev): -15.8590 -15.8590 -15.8589 -15.8589 -15.7033 -15.7033 -15.7033 -15.7033 -13.6818 -13.6818 -13.6817 -13.6817 -13.5369 -13.5369 -13.5368 -13.5368 -3.9177 -3.9177 -3.9175 -3.9175 -3.4885 -3.4885 -3.4854 -3.4854 -3.2193 -3.2193 -3.2150 -3.2150 -2.8176 -2.8176 -2.8156 -2.8156 -2.5320 -2.5320 -2.5285 -2.5285 -2.0430 -2.0430 -2.0340 -2.0340 -1.9905 -1.9905 -1.9820 -1.9820 -1.8729 -1.8729 -1.8490 -1.8490 -1.2886 -1.2886 -1.2858 -1.2858 -0.9828 -0.9828 -0.9591 -0.9591 -0.7717 -0.7717 -0.7630 -0.7630 -0.4573 -0.4573 -0.4502 -0.4502 -0.2118 -0.2118 -0.2101 -0.2101 -0.0939 -0.0939 -0.0937 -0.0937 -0.0144 -0.0144 -0.0096 -0.0096 0.1136 0.1136 0.1195 0.1195 0.6790 0.6790 0.6796 0.6796 6.3523 6.3523 6.3524 6.3524 k = 0.0698-0.0000 0.2313 ( 8112 PWs) bands (ev): -15.8579 -15.8579 -15.8579 -15.8579 -15.7027 -15.7027 -15.7027 -15.7027 -13.6796 -13.6796 -13.6796 -13.6796 -13.5354 -13.5354 -13.5353 -13.5353 -3.9147 -3.9147 -3.9144 -3.9144 -3.4877 -3.4877 -3.4840 -3.4840 -3.2194 -3.2194 -3.2144 -3.2144 -2.8192 -2.8192 -2.8169 -2.8169 -2.5355 -2.5355 -2.5315 -2.5315 -2.0507 -2.0507 -2.0421 -2.0421 -1.9965 -1.9965 -1.9850 -1.9850 -1.8776 -1.8776 -1.8499 -1.8499 -1.2862 -1.2862 -1.2834 -1.2834 -0.9937 -0.9937 -0.9677 -0.9677 -0.7648 -0.7648 -0.7561 -0.7561 -0.4861 -0.4861 -0.4783 -0.4783 -0.2069 -0.2069 -0.2055 -0.2055 -0.0949 -0.0949 -0.0948 -0.0948 -0.0186 -0.0186 -0.0134 -0.0134 0.1134 0.1134 0.1201 0.1201 0.6837 0.6837 0.6844 0.6844 6.3712 6.3712 6.3713 6.3713 k = 0.0814-0.0000 0.2313 ( 8112 PWs) bands (ev): -15.8567 -15.8567 -15.8567 -15.8567 -15.7020 -15.7020 -15.7020 -15.7020 -13.6771 -13.6771 -13.6770 -13.6770 -13.5336 -13.5336 -13.5336 -13.5336 -3.9112 -3.9112 -3.9110 -3.9110 -3.4867 -3.4867 -3.4824 -3.4824 -3.2195 -3.2195 -3.2136 -3.2136 -2.8208 -2.8208 -2.8184 -2.8184 -2.5394 -2.5394 -2.5349 -2.5349 -2.0594 -2.0594 -2.0518 -2.0518 -2.0047 -2.0047 -1.9907 -1.9907 -1.8808 -1.8808 -1.8506 -1.8506 -1.2835 -1.2835 -1.2808 -1.2808 -1.0045 -1.0045 -0.9769 -0.9769 -0.7573 -0.7573 -0.7490 -0.7490 -0.5177 -0.5177 -0.5094 -0.5094 -0.2026 -0.2026 -0.2015 -0.2015 -0.0963 -0.0963 -0.0962 -0.0962 -0.0233 -0.0233 -0.0178 -0.0178 0.1132 0.1132 0.1206 0.1206 0.6889 0.6889 0.6897 0.6897 6.3932 6.3932 6.3933 6.3933 k = 0.0930-0.0000 0.2313 ( 8112 PWs) bands (ev): -15.8554 -15.8554 -15.8554 -15.8554 -15.7012 -15.7012 -15.7012 -15.7012 -13.6742 -13.6742 -13.6741 -13.6741 -13.5316 -13.5316 -13.5316 -13.5316 -3.9073 -3.9073 -3.9070 -3.9070 -3.4855 -3.4855 -3.4807 -3.4807 -3.2195 -3.2195 -3.2129 -3.2129 -2.8227 -2.8227 -2.8202 -2.8202 -2.5438 -2.5438 -2.5388 -2.5388 -2.0692 -2.0692 -2.0631 -2.0631 -2.0148 -2.0148 -1.9992 -1.9992 -1.8823 -1.8823 -1.8508 -1.8508 -1.2804 -1.2804 -1.2782 -1.2782 -1.0148 -1.0148 -0.9864 -0.9864 -0.7497 -0.7497 -0.7420 -0.7420 -0.5516 -0.5516 -0.5429 -0.5429 -0.1989 -0.1989 -0.1981 -0.1981 -0.0979 -0.0979 -0.0978 -0.0978 -0.0286 -0.0286 -0.0229 -0.0229 0.1129 0.1129 0.1209 0.1209 0.6944 0.6944 0.6953 0.6953 6.4178 6.4178 6.4179 6.4179 k = 0.1047-0.0000 0.2313 ( 8104 PWs) bands (ev): -15.8539 -15.8539 -15.8538 -15.8538 -15.7003 -15.7003 -15.7003 -15.7003 -13.6709 -13.6709 -13.6708 -13.6708 -13.5294 -13.5294 -13.5293 -13.5293 -3.9030 -3.9030 -3.9027 -3.9027 -3.4840 -3.4840 -3.4787 -3.4787 -3.2196 -3.2196 -3.2122 -3.2122 -2.8246 -2.8246 -2.8222 -2.8222 -2.5484 -2.5484 -2.5430 -2.5430 -2.0807 -2.0807 -2.0764 -2.0764 -2.0267 -2.0267 -2.0102 -2.0102 -1.8819 -1.8819 -1.8504 -1.8504 -1.2772 -1.2772 -1.2757 -1.2757 -1.0244 -1.0244 -0.9958 -0.9958 -0.7422 -0.7422 -0.7353 -0.7353 -0.5873 -0.5873 -0.5782 -0.5782 -0.1959 -0.1959 -0.1954 -0.1954 -0.0997 -0.0997 -0.0996 -0.0996 -0.0343 -0.0343 -0.0285 -0.0285 0.1125 0.1125 0.1211 0.1211 0.7002 0.7002 0.7012 0.7012 6.4450 6.4450 6.4451 6.4451 k = 0.1163-0.0000 0.2313 ( 8104 PWs) bands (ev): -15.8522 -15.8522 -15.8522 -15.8522 -15.6993 -15.6993 -15.6993 -15.6993 -13.6673 -13.6673 -13.6672 -13.6672 -13.5270 -13.5270 -13.5269 -13.5269 -3.8984 -3.8984 -3.8980 -3.8980 -3.4825 -3.4825 -3.4767 -3.4767 -3.2196 -3.2196 -3.2116 -3.2116 -2.8266 -2.8266 -2.8244 -2.8244 -2.5533 -2.5533 -2.5477 -2.5477 -2.0941 -2.0941 -2.0917 -2.0917 -2.0398 -2.0398 -2.0233 -2.0233 -1.8800 -1.8800 -1.8495 -1.8495 -1.2739 -1.2739 -1.2735 -1.2735 -1.0331 -1.0331 -1.0049 -1.0049 -0.7354 -0.7354 -0.7291 -0.7291 -0.6239 -0.6239 -0.6147 -0.6147 -0.1936 -0.1936 -0.1933 -0.1933 -0.1020 -0.1020 -0.1017 -0.1017 -0.0404 -0.0404 -0.0345 -0.0345 0.1119 0.1119 0.1209 0.1209 0.7060 0.7060 0.7071 0.7071 6.4744 6.4744 6.4745 6.4745 k = 0.1279-0.0000 0.2313 ( 8096 PWs) bands (ev): -15.8504 -15.8504 -15.8504 -15.8504 -15.6982 -15.6982 -15.6982 -15.6982 -13.6634 -13.6634 -13.6633 -13.6633 -13.5243 -13.5243 -13.5242 -13.5242 -3.8935 -3.8935 -3.8931 -3.8931 -3.4807 -3.4807 -3.4745 -3.4745 -3.2197 -3.2197 -3.2109 -3.2109 -2.8287 -2.8287 -2.8268 -2.8268 -2.5584 -2.5584 -2.5526 -2.5526 -2.1099 -2.1099 -2.1094 -2.1094 -2.0535 -2.0535 -2.0376 -2.0376 -1.8768 -1.8768 -1.8481 -1.8481 -1.2716 -1.2716 -1.2706 -1.2706 -1.0407 -1.0407 -1.0134 -1.0134 -0.7311 -0.7311 -0.7250 -0.7250 -0.6592 -0.6592 -0.6506 -0.6506 -0.1920 -0.1920 -0.1918 -0.1918 -0.1045 -0.1045 -0.1041 -0.1041 -0.0466 -0.0466 -0.0406 -0.0406 0.1109 0.1109 0.1203 0.1203 0.7118 0.7118 0.7130 0.7130 6.5058 6.5058 6.5059 6.5059 k = 0.1395-0.0000 0.2313 ( 8088 PWs) bands (ev): -15.8484 -15.8484 -15.8484 -15.8484 -15.6971 -15.6971 -15.6971 -15.6971 -13.6592 -13.6592 -13.6591 -13.6591 -13.5215 -13.5215 -13.5214 -13.5214 -3.8883 -3.8883 -3.8879 -3.8879 -3.4787 -3.4787 -3.4722 -3.4722 -3.2198 -3.2198 -3.2104 -3.2104 -2.8309 -2.8309 -2.8294 -2.8294 -2.5637 -2.5637 -2.5578 -2.5578 -2.1294 -2.1294 -2.1282 -2.1282 -2.0674 -2.0674 -2.0526 -2.0526 -1.8729 -1.8729 -1.8463 -1.8463 -1.2702 -1.2702 -1.2674 -1.2674 -1.0470 -1.0470 -1.0213 -1.0213 -0.7373 -0.7373 -0.7290 -0.7290 -0.6850 -0.6850 -0.6792 -0.6792 -0.1911 -0.1911 -0.1910 -0.1910 -0.1075 -0.1075 -0.1068 -0.1068 -0.0529 -0.0529 -0.0467 -0.0467 0.1095 0.1095 0.1194 0.1194 0.7175 0.7175 0.7187 0.7187 6.5388 6.5388 6.5389 6.5389 k = 0.1512-0.0000 0.2313 ( 8096 PWs) bands (ev): -15.8464 -15.8464 -15.8463 -15.8463 -15.6959 -15.6959 -15.6958 -15.6958 -13.6547 -13.6547 -13.6546 -13.6546 -13.5185 -13.5185 -13.5184 -13.5184 -3.8830 -3.8830 -3.8826 -3.8826 -3.4767 -3.4767 -3.4698 -3.4698 -3.2200 -3.2200 -3.2100 -3.2100 -2.8331 -2.8331 -2.8321 -2.8321 -2.5692 -2.5692 -2.5633 -2.5633 -2.1516 -2.1516 -2.1491 -2.1491 -2.0813 -2.0813 -2.0679 -2.0679 -1.8684 -1.8684 -1.8443 -1.8443 -1.2693 -1.2693 -1.2645 -1.2645 -1.0520 -1.0520 -1.0283 -1.0283 -0.7647 -0.7647 -0.7537 -0.7537 -0.6902 -0.6902 -0.6879 -0.6879 -0.1908 -0.1908 -0.1907 -0.1907 -0.1109 -0.1109 -0.1098 -0.1098 -0.0591 -0.0591 -0.0527 -0.0527 0.1076 0.1076 0.1181 0.1181 0.7228 0.7228 0.7241 0.7241 6.5731 6.5731 6.5732 6.5732 k = 0.1628-0.0000 0.2313 ( 8086 PWs) bands (ev): -15.8442 -15.8442 -15.8442 -15.8442 -15.6946 -15.6946 -15.6945 -15.6945 -13.6499 -13.6499 -13.6498 -13.6498 -13.5153 -13.5153 -13.5152 -13.5152 -3.8775 -3.8775 -3.8771 -3.8771 -3.4745 -3.4745 -3.4672 -3.4672 -3.2203 -3.2203 -3.2096 -3.2096 -2.8353 -2.8353 -2.8350 -2.8350 -2.5747 -2.5747 -2.5689 -2.5689 -2.1755 -2.1755 -2.1719 -2.1719 -2.0952 -2.0952 -2.0836 -2.0836 -1.8637 -1.8637 -1.8421 -1.8421 -1.2689 -1.2689 -1.2620 -1.2620 -1.0557 -1.0557 -1.0344 -1.0344 -0.8029 -0.8029 -0.7911 -0.7911 -0.6848 -0.6848 -0.6842 -0.6842 -0.1912 -0.1912 -0.1910 -0.1910 -0.1147 -0.1147 -0.1131 -0.1131 -0.0651 -0.0651 -0.0584 -0.0584 0.1054 0.1054 0.1164 0.1164 0.7279 0.7279 0.7292 0.7292 6.6084 6.6084 6.6086 6.6086 k = 0.1744-0.0000 0.2313 ( 8078 PWs) bands (ev): -15.8419 -15.8419 -15.8419 -15.8419 -15.6932 -15.6932 -15.6932 -15.6932 -13.6449 -13.6449 -13.6447 -13.6447 -13.5120 -13.5120 -13.5119 -13.5119 -3.8721 -3.8721 -3.8716 -3.8716 -3.4722 -3.4722 -3.4647 -3.4647 -3.2207 -3.2207 -3.2094 -3.2094 -2.8380 -2.8380 -2.8376 -2.8376 -2.5804 -2.5804 -2.5748 -2.5748 -2.2007 -2.2007 -2.1963 -2.1963 -2.1093 -2.1093 -2.0995 -2.0995 -1.8588 -1.8588 -1.8399 -1.8399 -1.2691 -1.2691 -1.2599 -1.2599 -1.0581 -1.0581 -1.0395 -1.0395 -0.8441 -0.8441 -0.8318 -0.8318 -0.6770 -0.6770 -0.6764 -0.6764 -0.1922 -0.1922 -0.1919 -0.1919 -0.1190 -0.1190 -0.1167 -0.1167 -0.0709 -0.0709 -0.0637 -0.0637 0.1026 0.1026 0.1142 0.1142 0.7325 0.7325 0.7339 0.7339 6.6444 6.6444 6.6446 6.6446 k = 0.1860-0.0000 0.2313 ( 8086 PWs) bands (ev): -15.8395 -15.8395 -15.8395 -15.8395 -15.6918 -15.6918 -15.6918 -15.6918 -13.6396 -13.6396 -13.6395 -13.6395 -13.5087 -13.5087 -13.5085 -13.5085 -3.8666 -3.8666 -3.8662 -3.8662 -3.4698 -3.4698 -3.4621 -3.4621 -3.2211 -3.2211 -3.2094 -3.2094 -2.8411 -2.8411 -2.8400 -2.8400 -2.5862 -2.5862 -2.5808 -2.5808 -2.2267 -2.2267 -2.2216 -2.2216 -2.1237 -2.1237 -2.1159 -2.1159 -1.8541 -1.8541 -1.8378 -1.8378 -1.2699 -1.2699 -1.2584 -1.2584 -1.0593 -1.0593 -1.0437 -1.0437 -0.8862 -0.8862 -0.8735 -0.8735 -0.6684 -0.6684 -0.6666 -0.6666 -0.1939 -0.1939 -0.1933 -0.1933 -0.1237 -0.1237 -0.1207 -0.1207 -0.0764 -0.0764 -0.0685 -0.0685 0.0994 0.0994 0.1117 0.1117 0.7366 0.7366 0.7382 0.7382 6.6808 6.6808 6.6810 6.6810 k = 0.1977-0.0000 0.2313 ( 8078 PWs) bands (ev): -15.8371 -15.8371 -15.8371 -15.8371 -15.6903 -15.6903 -15.6903 -15.6903 -13.6341 -13.6341 -13.6340 -13.6340 -13.5052 -13.5052 -13.5051 -13.5051 -3.8613 -3.8613 -3.8609 -3.8609 -3.4674 -3.4674 -3.4594 -3.4594 -3.2217 -3.2217 -3.2095 -3.2095 -2.8443 -2.8443 -2.8424 -2.8424 -2.5921 -2.5921 -2.5869 -2.5869 -2.2528 -2.2528 -2.2473 -2.2473 -2.1387 -2.1387 -2.1327 -2.1327 -1.8495 -1.8495 -1.8357 -1.8357 -1.2713 -1.2713 -1.2575 -1.2575 -1.0595 -1.0595 -1.0470 -1.0470 -0.9283 -0.9283 -0.9153 -0.9153 -0.6589 -0.6589 -0.6560 -0.6560 -0.1961 -0.1961 -0.1952 -0.1952 -0.1288 -0.1288 -0.1249 -0.1249 -0.0815 -0.0815 -0.0730 -0.0730 0.0958 0.0958 0.1087 0.1087 0.7403 0.7403 0.7419 0.7419 6.7172 6.7172 6.7174 6.7174 k = 0.2093-0.0000 0.2313 ( 8066 PWs) bands (ev): -15.8346 -15.8346 -15.8346 -15.8346 -15.6888 -15.6888 -15.6888 -15.6888 -13.6285 -13.6285 -13.6283 -13.6283 -13.5016 -13.5016 -13.5015 -13.5015 -3.8561 -3.8561 -3.8557 -3.8557 -3.4650 -3.4650 -3.4569 -3.4569 -3.2223 -3.2223 -3.2098 -3.2098 -2.8476 -2.8476 -2.8451 -2.8451 -2.5982 -2.5982 -2.5931 -2.5931 -2.2787 -2.2787 -2.2726 -2.2726 -2.1544 -2.1544 -2.1501 -2.1501 -1.8451 -1.8451 -1.8340 -1.8340 -1.2732 -1.2732 -1.2573 -1.2573 -1.0588 -1.0588 -1.0498 -1.0498 -0.9694 -0.9694 -0.9565 -0.9565 -0.6487 -0.6487 -0.6447 -0.6447 -0.1989 -0.1989 -0.1977 -0.1977 -0.1343 -0.1343 -0.1294 -0.1294 -0.0862 -0.0862 -0.0769 -0.0769 0.0917 0.0917 0.1054 0.1054 0.7435 0.7435 0.7452 0.7452 6.7534 6.7534 6.7536 6.7536 k = 0.2209-0.0000 0.2313 ( 8066 PWs) bands (ev): -15.8321 -15.8321 -15.8320 -15.8320 -15.6873 -15.6873 -15.6873 -15.6873 -13.6227 -13.6227 -13.6225 -13.6225 -13.4980 -13.4980 -13.4979 -13.4979 -3.8512 -3.8512 -3.8508 -3.8508 -3.4627 -3.4627 -3.4543 -3.4543 -3.2231 -3.2231 -3.2103 -3.2103 -2.8510 -2.8510 -2.8480 -2.8480 -2.6045 -2.6045 -2.5994 -2.5994 -2.3038 -2.3038 -2.2973 -2.2973 -2.1708 -2.1708 -2.1682 -2.1682 -1.8412 -1.8412 -1.8325 -1.8325 -1.2757 -1.2757 -1.2579 -1.2579 -1.0580 -1.0580 -1.0539 -1.0539 -1.0074 -1.0074 -0.9961 -0.9961 -0.6379 -0.6379 -0.6329 -0.6329 -0.2022 -0.2022 -0.2006 -0.2006 -0.1400 -0.1400 -0.1341 -0.1341 -0.0906 -0.0906 -0.0805 -0.0805 0.0873 0.0873 0.1016 0.1016 0.7461 0.7461 0.7479 0.7479 6.7890 6.7890 6.7892 6.7892 k = 0.2326-0.0000 0.2313 ( 8078 PWs) bands (ev): -15.8295 -15.8295 -15.8295 -15.8295 -15.6857 -15.6857 -15.6857 -15.6857 -13.6167 -13.6167 -13.6166 -13.6166 -13.4944 -13.4944 -13.4943 -13.4943 -3.8466 -3.8466 -3.8462 -3.8462 -3.4604 -3.4604 -3.4519 -3.4519 -3.2241 -3.2241 -3.2110 -3.2110 -2.8545 -2.8545 -2.8513 -2.8513 -2.6112 -2.6112 -2.6057 -2.6057 -2.3278 -2.3278 -2.3206 -2.3206 -2.1879 -2.1879 -2.1869 -2.1869 -1.8376 -1.8376 -1.8313 -1.8313 -1.2788 -1.2788 -1.2592 -1.2592 -1.0686 -1.0686 -1.0607 -1.0607 -1.0328 -1.0328 -1.0303 -1.0303 -0.6266 -0.6266 -0.6205 -0.6205 -0.2060 -0.2060 -0.2040 -0.2040 -0.1458 -0.1458 -0.1390 -0.1390 -0.0946 -0.0946 -0.0837 -0.0837 0.0824 0.0824 0.0976 0.0976 0.7482 0.7482 0.7500 0.7500 6.8237 6.8237 6.8240 6.8240 k = 0.2442-0.0000 0.2313 ( 8080 PWs) bands (ev): -15.8269 -15.8269 -15.8269 -15.8269 -15.6842 -15.6842 -15.6841 -15.6841 -13.6107 -13.6107 -13.6105 -13.6105 -13.4908 -13.4908 -13.4907 -13.4907 -3.8423 -3.8423 -3.8419 -3.8419 -3.4582 -3.4582 -3.4496 -3.4496 -3.2251 -3.2251 -3.2119 -3.2119 -2.8582 -2.8582 -2.8550 -2.8550 -2.6182 -2.6182 -2.6118 -2.6118 -2.3502 -2.3502 -2.3422 -2.3422 -2.2062 -2.2062 -2.2059 -2.2059 -1.8346 -1.8346 -1.8305 -1.8305 -1.2825 -1.2825 -1.2614 -1.2614 -1.1005 -1.1005 -1.0835 -1.0835 -1.0423 -1.0423 -1.0387 -1.0387 -0.6148 -0.6148 -0.6077 -0.6077 -0.2102 -0.2102 -0.2079 -0.2079 -0.1518 -0.1518 -0.1441 -0.1441 -0.0983 -0.0983 -0.0865 -0.0865 0.0773 0.0773 0.0933 0.0933 0.7497 0.7497 0.7517 0.7517 6.8573 6.8573 6.8576 6.8576 k = 0.2558-0.0000 0.2313 ( 8076 PWs) bands (ev): -15.8243 -15.8243 -15.8243 -15.8243 -15.6826 -15.6826 -15.6826 -15.6826 -13.6046 -13.6046 -13.6044 -13.6044 -13.4872 -13.4872 -13.4871 -13.4871 -3.8385 -3.8385 -3.8380 -3.8380 -3.4562 -3.4562 -3.4475 -3.4475 -3.2262 -3.2262 -3.2130 -3.2130 -2.8620 -2.8620 -2.8592 -2.8592 -2.6256 -2.6256 -2.6176 -2.6176 -2.3709 -2.3709 -2.3617 -2.3617 -2.2260 -2.2260 -2.2245 -2.2245 -1.8321 -1.8321 -1.8302 -1.8302 -1.2870 -1.2870 -1.2646 -1.2646 -1.1363 -1.1363 -1.1176 -1.1176 -1.0406 -1.0406 -1.0381 -1.0381 -0.6025 -0.6025 -0.5945 -0.5945 -0.2148 -0.2148 -0.2121 -0.2121 -0.1579 -0.1579 -0.1493 -0.1493 -0.1017 -0.1017 -0.0891 -0.0891 0.0719 0.0719 0.0887 0.0887 0.7508 0.7508 0.7528 0.7528 6.8895 6.8895 6.8898 6.8898 k = 0.2674-0.0000 0.2313 ( 8078 PWs) bands (ev): -15.8217 -15.8217 -15.8217 -15.8217 -15.6810 -15.6810 -15.6810 -15.6810 -13.5984 -13.5984 -13.5982 -13.5982 -13.4836 -13.4836 -13.4835 -13.4835 -3.8351 -3.8351 -3.8347 -3.8347 -3.4544 -3.4544 -3.4456 -3.4456 -3.2274 -3.2274 -3.2143 -3.2143 -2.8659 -2.8659 -2.8641 -2.8641 -2.6335 -2.6335 -2.6230 -2.6230 -2.3898 -2.3898 -2.3788 -2.3788 -2.2461 -2.2461 -2.2439 -2.2439 -1.8304 -1.8304 -1.8303 -1.8303 -1.2924 -1.2924 -1.2690 -1.2690 -1.1709 -1.1709 -1.1513 -1.1513 -1.0364 -1.0364 -1.0354 -1.0354 -0.5898 -0.5898 -0.5809 -0.5809 -0.2198 -0.2198 -0.2168 -0.2168 -0.1640 -0.1640 -0.1547 -0.1547 -0.1048 -0.1048 -0.0914 -0.0914 0.0662 0.0662 0.0839 0.0839 0.7514 0.7514 0.7535 0.7535 6.9202 6.9202 6.9205 6.9205 k = 0.2791-0.0000 0.2313 ( 8070 PWs) bands (ev): -15.8191 -15.8191 -15.8191 -15.8191 -15.6794 -15.6794 -15.6794 -15.6794 -13.5922 -13.5922 -13.5920 -13.5920 -13.4802 -13.4802 -13.4800 -13.4800 -3.8322 -3.8322 -3.8318 -3.8318 -3.4528 -3.4528 -3.4440 -3.4440 -3.2287 -3.2287 -3.2157 -3.2157 -2.8698 -2.8698 -2.8695 -2.8695 -2.6418 -2.6418 -2.6278 -2.6278 -2.4069 -2.4069 -2.3934 -2.3934 -2.2663 -2.2663 -2.2637 -2.2637 -1.8311 -1.8311 -1.8291 -1.8291 -1.2993 -1.2993 -1.2757 -1.2757 -1.2026 -1.2026 -1.1827 -1.1827 -1.0316 -1.0316 -1.0312 -1.0312 -0.5768 -0.5768 -0.5671 -0.5671 -0.2250 -0.2250 -0.2218 -0.2218 -0.1700 -0.1700 -0.1601 -0.1601 -0.1076 -0.1076 -0.0935 -0.0935 0.0603 0.0603 0.0788 0.0788 0.7516 0.7516 0.7538 0.7538 6.9489 6.9489 6.9493 6.9493 k = 0.2907-0.0000 0.2313 ( 8088 PWs) bands (ev): -15.8166 -15.8166 -15.8165 -15.8165 -15.6779 -15.6779 -15.6779 -15.6779 -13.5860 -13.5860 -13.5859 -13.5859 -13.4768 -13.4768 -13.4766 -13.4766 -3.8300 -3.8300 -3.8295 -3.8295 -3.4515 -3.4515 -3.4426 -3.4426 -3.2301 -3.2301 -3.2174 -3.2174 -2.8756 -2.8756 -2.8739 -2.8739 -2.6505 -2.6505 -2.6320 -2.6320 -2.4225 -2.4225 -2.4053 -2.4053 -2.2864 -2.2864 -2.2839 -2.2839 -1.8323 -1.8323 -1.8287 -1.8287 -1.3084 -1.3084 -1.2863 -1.2863 -1.2290 -1.2290 -1.2104 -1.2104 -1.0269 -1.0269 -1.0254 -1.0254 -0.5636 -0.5636 -0.5531 -0.5531 -0.2305 -0.2305 -0.2271 -0.2271 -0.1760 -0.1760 -0.1656 -0.1656 -0.1102 -0.1102 -0.0954 -0.0954 0.0543 0.0543 0.0736 0.0736 0.7514 0.7514 0.7536 0.7536 6.9757 6.9757 6.9761 6.9761 k = 0.3023-0.0000 0.2313 ( 8084 PWs) bands (ev): -15.8141 -15.8141 -15.8141 -15.8141 -15.6764 -15.6764 -15.6763 -15.6763 -13.5799 -13.5799 -13.5797 -13.5797 -13.4735 -13.4735 -13.4733 -13.4733 -3.8282 -3.8282 -3.8277 -3.8277 -3.4504 -3.4504 -3.4415 -3.4415 -3.2315 -3.2315 -3.2192 -3.2192 -2.8822 -2.8822 -2.8779 -2.8779 -2.6594 -2.6594 -2.6352 -2.6352 -2.4368 -2.4368 -2.4148 -2.4148 -2.3057 -2.3057 -2.3042 -2.3042 -1.8342 -1.8342 -1.8290 -1.8290 -1.3204 -1.3204 -1.3034 -1.3034 -1.2475 -1.2475 -1.2333 -1.2333 -1.0215 -1.0215 -1.0191 -1.0191 -0.5502 -0.5502 -0.5390 -0.5390 -0.2361 -0.2361 -0.2327 -0.2327 -0.1819 -0.1819 -0.1710 -0.1710 -0.1126 -0.1126 -0.0971 -0.0971 0.0482 0.0482 0.0682 0.0682 0.7508 0.7508 0.7531 0.7531 7.0004 7.0004 7.0008 7.0008 k = 0.3140-0.0000 0.2313 ( 8072 PWs) bands (ev): -15.8116 -15.8116 -15.8116 -15.8116 -15.6749 -15.6749 -15.6749 -15.6749 -13.5739 -13.5739 -13.5737 -13.5737 -13.4703 -13.4703 -13.4701 -13.4701 -3.8270 -3.8270 -3.8265 -3.8265 -3.4496 -3.4496 -3.4407 -3.4407 -3.2329 -3.2329 -3.2211 -3.2211 -2.8890 -2.8890 -2.8817 -2.8817 -2.6684 -2.6684 -2.6377 -2.6377 -2.4505 -2.4505 -2.4221 -2.4221 -2.3242 -2.3242 -2.3238 -2.3238 -1.8366 -1.8366 -1.8302 -1.8302 -1.3361 -1.3361 -1.3258 -1.3258 -1.2588 -1.2588 -1.2509 -1.2509 -1.0156 -1.0156 -1.0125 -1.0125 -0.5368 -0.5368 -0.5249 -0.5249 -0.2419 -0.2419 -0.2385 -0.2385 -0.1876 -0.1876 -0.1764 -0.1764 -0.1148 -0.1148 -0.0987 -0.0987 0.0420 0.0420 0.0626 0.0626 0.7499 0.7499 0.7522 0.7522 7.0228 7.0228 7.0232 7.0232 k = 0.3256-0.0000 0.2313 ( 8068 PWs) bands (ev): -15.8093 -15.8093 -15.8093 -15.8093 -15.6734 -15.6734 -15.6734 -15.6734 -13.5679 -13.5679 -13.5677 -13.5677 -13.4673 -13.4673 -13.4671 -13.4671 -3.8264 -3.8264 -3.8258 -3.8258 -3.4491 -3.4491 -3.4402 -3.4402 -3.2344 -3.2344 -3.2231 -3.2231 -2.8958 -2.8958 -2.8853 -2.8853 -2.6776 -2.6776 -2.6394 -2.6394 -2.4641 -2.4641 -2.4278 -2.4278 -2.3435 -2.3435 -2.3401 -2.3401 -1.8398 -1.8398 -1.8322 -1.8322 -1.3547 -1.3547 -1.3502 -1.3502 -1.2662 -1.2662 -1.2635 -1.2635 -1.0092 -1.0092 -1.0056 -1.0056 -0.5234 -0.5234 -0.5109 -0.5109 -0.2478 -0.2478 -0.2445 -0.2445 -0.1932 -0.1932 -0.1818 -0.1818 -0.1167 -0.1167 -0.1002 -0.1002 0.0358 0.0358 0.0570 0.0570 0.7488 0.7488 0.7511 0.7511 7.0429 7.0429 7.0433 7.0433 k = 0.3372-0.0000 0.2313 ( 8086 PWs) bands (ev): -15.8070 -15.8070 -15.8070 -15.8070 -15.6720 -15.6720 -15.6720 -15.6720 -13.5622 -13.5622 -13.5620 -13.5620 -13.4644 -13.4644 -13.4643 -13.4643 -3.8264 -3.8264 -3.8258 -3.8258 -3.4488 -3.4488 -3.4399 -3.4399 -3.2360 -3.2360 -3.2253 -3.2253 -2.9024 -2.9024 -2.8884 -2.8884 -2.6869 -2.6869 -2.6406 -2.6406 -2.4783 -2.4783 -2.4327 -2.4327 -2.3611 -2.3611 -2.3537 -2.3537 -1.8435 -1.8435 -1.8351 -1.8351 -1.3747 -1.3747 -1.3742 -1.3742 -1.2725 -1.2725 -1.2719 -1.2719 -1.0026 -1.0026 -0.9986 -0.9986 -0.5102 -0.5102 -0.4972 -0.4972 -0.2536 -0.2536 -0.2505 -0.2505 -0.1985 -0.1985 -0.1870 -0.1870 -0.1186 -0.1186 -0.1016 -0.1016 0.0296 0.0296 0.0513 0.0513 0.7475 0.7475 0.7498 0.7498 7.0607 7.0607 7.0611 7.0611 k = 0.3488-0.0000 0.2313 ( 8086 PWs) bands (ev): -15.8049 -15.8049 -15.8048 -15.8048 -15.6707 -15.6707 -15.6707 -15.6707 -13.5565 -13.5565 -13.5563 -13.5563 -13.4617 -13.4617 -13.4616 -13.4616 -3.8269 -3.8269 -3.8263 -3.8263 -3.4487 -3.4487 -3.4400 -3.4400 -3.2375 -3.2375 -3.2275 -3.2275 -2.9083 -2.9083 -2.8909 -2.8909 -2.6963 -2.6963 -2.6416 -2.6416 -2.4933 -2.4933 -2.4381 -2.4381 -2.3759 -2.3759 -2.3643 -2.3643 -1.8479 -1.8479 -1.8389 -1.8389 -1.3969 -1.3969 -1.3949 -1.3949 -1.2793 -1.2793 -1.2767 -1.2767 -0.9957 -0.9957 -0.9915 -0.9915 -0.4973 -0.4973 -0.4838 -0.4838 -0.2593 -0.2593 -0.2565 -0.2565 -0.2037 -0.2037 -0.1922 -0.1922 -0.1203 -0.1203 -0.1030 -0.1030 0.0236 0.0236 0.0455 0.0455 0.7460 0.7460 0.7483 0.7483 7.0761 7.0761 7.0766 7.0766 k = 0.3605-0.0000 0.2313 ( 8086 PWs) bands (ev): -15.8028 -15.8028 -15.8028 -15.8028 -15.6694 -15.6694 -15.6694 -15.6694 -13.5511 -13.5511 -13.5510 -13.5510 -13.4593 -13.4593 -13.4591 -13.4591 -3.8278 -3.8278 -3.8273 -3.8273 -3.4488 -3.4488 -3.4403 -3.4403 -3.2391 -3.2391 -3.2297 -3.2297 -2.9134 -2.9134 -2.8925 -2.8925 -2.7060 -2.7060 -2.6429 -2.6429 -2.5089 -2.5089 -2.4456 -2.4456 -2.3861 -2.3861 -2.3717 -2.3717 -1.8529 -1.8529 -1.8435 -1.8435 -1.4179 -1.4179 -1.4143 -1.4143 -1.2847 -1.2847 -1.2809 -1.2809 -0.9887 -0.9887 -0.9844 -0.9844 -0.4848 -0.4848 -0.4710 -0.4710 -0.2647 -0.2647 -0.2621 -0.2621 -0.2086 -0.2086 -0.1971 -0.1971 -0.1219 -0.1219 -0.1044 -0.1044 0.0177 0.0177 0.0398 0.0398 0.7445 0.7445 0.7467 0.7467 7.0894 7.0894 7.0898 7.0898 k = 0.3721-0.0000 0.2313 ( 8080 PWs) bands (ev): -15.8009 -15.8009 -15.8009 -15.8009 -15.6682 -15.6682 -15.6682 -15.6682 -13.5460 -13.5460 -13.5458 -13.5458 -13.4570 -13.4570 -13.4568 -13.4568 -3.8292 -3.8292 -3.8286 -3.8286 -3.4491 -3.4491 -3.4408 -3.4408 -3.2406 -3.2406 -3.2320 -3.2320 -2.9174 -2.9174 -2.8931 -2.8931 -2.7159 -2.7159 -2.6451 -2.6451 -2.5246 -2.5246 -2.4561 -2.4561 -2.3911 -2.3911 -2.3761 -2.3761 -1.8585 -1.8585 -1.8489 -1.8489 -1.4369 -1.4369 -1.4324 -1.4324 -1.2891 -1.2891 -1.2848 -1.2848 -0.9817 -0.9817 -0.9774 -0.9774 -0.4729 -0.4729 -0.4589 -0.4589 -0.2697 -0.2697 -0.2674 -0.2674 -0.2134 -0.2134 -0.2019 -0.2019 -0.1234 -0.1234 -0.1060 -0.1060 0.0121 0.0121 0.0341 0.0341 0.7429 0.7429 0.7451 0.7451 7.1005 7.1005 7.1009 7.1009 k = 0.3837-0.0000 0.2313 ( 8090 PWs) bands (ev): -15.7991 -15.7991 -15.7991 -15.7991 -15.6671 -15.6671 -15.6671 -15.6671 -13.5411 -13.5411 -13.5410 -13.5410 -13.4549 -13.4549 -13.4547 -13.4547 -3.8309 -3.8309 -3.8304 -3.8304 -3.4494 -3.4494 -3.4414 -3.4414 -3.2421 -3.2421 -3.2343 -3.2343 -2.9200 -2.9200 -2.8926 -2.8926 -2.7264 -2.7264 -2.6492 -2.6492 -2.5393 -2.5393 -2.4686 -2.4686 -2.3917 -2.3917 -2.3779 -2.3779 -1.8645 -1.8645 -1.8550 -1.8550 -1.4539 -1.4539 -1.4490 -1.4490 -1.2928 -1.2928 -1.2884 -1.2884 -0.9747 -0.9747 -0.9705 -0.9705 -0.4618 -0.4618 -0.4478 -0.4478 -0.2741 -0.2741 -0.2720 -0.2720 -0.2179 -0.2179 -0.2065 -0.2065 -0.1249 -0.1249 -0.1077 -0.1077 0.0069 0.0069 0.0284 0.0284 0.7413 0.7413 0.7433 0.7433 7.1096 7.1096 7.1100 7.1100 k = 0.3953-0.0000 0.2313 ( 8090 PWs) bands (ev): -15.7974 -15.7974 -15.7974 -15.7974 -15.6661 -15.6661 -15.6661 -15.6661 -13.5366 -13.5366 -13.5364 -13.5364 -13.4530 -13.4530 -13.4528 -13.4528 -3.8329 -3.8329 -3.8324 -3.8324 -3.4498 -3.4498 -3.4422 -3.4422 -3.2436 -3.2436 -3.2365 -3.2365 -2.9212 -2.9212 -2.8908 -2.8908 -2.7374 -2.7374 -2.6559 -2.6559 -2.5517 -2.5517 -2.4818 -2.4818 -2.3893 -2.3893 -2.3776 -2.3776 -1.8709 -1.8709 -1.8617 -1.8617 -1.4690 -1.4690 -1.4639 -1.4639 -1.2960 -1.2960 -1.2917 -1.2917 -0.9680 -0.9680 -0.9639 -0.9639 -0.4516 -0.4516 -0.4378 -0.4378 -0.2777 -0.2777 -0.2756 -0.2756 -0.2223 -0.2223 -0.2110 -0.2110 -0.1264 -0.1264 -0.1096 -0.1096 0.0021 0.0021 0.0229 0.0229 0.7397 0.7397 0.7417 0.7417 7.1169 7.1169 7.1173 7.1173 k = 0.4070-0.0000 0.2313 ( 8090 PWs) bands (ev): -15.7959 -15.7959 -15.7959 -15.7959 -15.6651 -15.6651 -15.6651 -15.6651 -13.5324 -13.5324 -13.5323 -13.5323 -13.4513 -13.4513 -13.4512 -13.4512 -3.8351 -3.8351 -3.8345 -3.8345 -3.4501 -3.4501 -3.4431 -3.4431 -3.2450 -3.2450 -3.2387 -3.2387 -2.9208 -2.9208 -2.8877 -2.8877 -2.7490 -2.7490 -2.6660 -2.6660 -2.5610 -2.5610 -2.4946 -2.4946 -2.3853 -2.3853 -2.3758 -2.3758 -1.8774 -1.8774 -1.8687 -1.8687 -1.4820 -1.4820 -1.4771 -1.4771 -1.2987 -1.2987 -1.2947 -1.2947 -0.9615 -0.9615 -0.9577 -0.9577 -0.4425 -0.4425 -0.4291 -0.4291 -0.2803 -0.2803 -0.2782 -0.2782 -0.2265 -0.2265 -0.2153 -0.2153 -0.1278 -0.1278 -0.1118 -0.1118 -0.0021 -0.0021 0.0176 0.0176 0.7382 0.7382 0.7400 0.7400 7.1227 7.1227 7.1231 7.1231 k = 0.4186-0.0000 0.2313 ( 8098 PWs) bands (ev): -15.7945 -15.7945 -15.7945 -15.7945 -15.6643 -15.6643 -15.6643 -15.6643 -13.5286 -13.5286 -13.5285 -13.5285 -13.4499 -13.4499 -13.4497 -13.4497 -3.8373 -3.8373 -3.8368 -3.8368 -3.4504 -3.4504 -3.4440 -3.4440 -3.2463 -3.2463 -3.2408 -3.2408 -2.9187 -2.9187 -2.8832 -2.8832 -2.7611 -2.7611 -2.6793 -2.6793 -2.5668 -2.5668 -2.5065 -2.5065 -2.3803 -2.3803 -2.3728 -2.3728 -1.8840 -1.8840 -1.8759 -1.8759 -1.4931 -1.4931 -1.4885 -1.4885 -1.3011 -1.3011 -1.2974 -1.2974 -0.9555 -0.9555 -0.9519 -0.9519 -0.4345 -0.4345 -0.4221 -0.4221 -0.2818 -0.2818 -0.2794 -0.2794 -0.2305 -0.2305 -0.2194 -0.2194 -0.1292 -0.1292 -0.1142 -0.1142 -0.0057 -0.0057 0.0125 0.0125 0.7368 0.7368 0.7385 0.7385 7.1271 7.1271 7.1274 7.1274 k = 0.4302-0.0000 0.2313 ( 8102 PWs) bands (ev): -15.7934 -15.7934 -15.7934 -15.7934 -15.6636 -15.6636 -15.6636 -15.6636 -13.5252 -13.5252 -13.5251 -13.5251 -13.4486 -13.4486 -13.4485 -13.4485 -3.8394 -3.8394 -3.8390 -3.8390 -3.4507 -3.4507 -3.4450 -3.4450 -3.2474 -3.2474 -3.2427 -3.2427 -2.9151 -2.9151 -2.8775 -2.8775 -2.7736 -2.7736 -2.6951 -2.6951 -2.5697 -2.5697 -2.5173 -2.5173 -2.3749 -2.3749 -2.3692 -2.3692 -1.8903 -1.8903 -1.8831 -1.8831 -1.5024 -1.5024 -1.4983 -1.4983 -1.3031 -1.3031 -1.2998 -1.2998 -0.9499 -0.9499 -0.9467 -0.9467 -0.4279 -0.4279 -0.4166 -0.4166 -0.2822 -0.2822 -0.2793 -0.2793 -0.2343 -0.2343 -0.2235 -0.2235 -0.1305 -0.1305 -0.1169 -0.1169 -0.0087 -0.0087 0.0078 0.0078 0.7356 0.7356 0.7370 0.7370 7.1304 7.1304 7.1307 7.1307 k = 0.4419-0.0000 0.2313 ( 8106 PWs) bands (ev): -15.7924 -15.7924 -15.7923 -15.7923 -15.6629 -15.6629 -15.6629 -15.6629 -13.5223 -13.5223 -13.5222 -13.5222 -13.4476 -13.4476 -13.4475 -13.4475 -3.8414 -3.8414 -3.8411 -3.8411 -3.4508 -3.4508 -3.4460 -3.4460 -3.2484 -3.2484 -3.2444 -3.2444 -2.9100 -2.9100 -2.8706 -2.8706 -2.7861 -2.7861 -2.7124 -2.7124 -2.5705 -2.5705 -2.5268 -2.5268 -2.3696 -2.3696 -2.3654 -2.3654 -1.8961 -1.8961 -1.8899 -1.8899 -1.5101 -1.5101 -1.5065 -1.5065 -1.3047 -1.3047 -1.3019 -1.3019 -0.9449 -0.9449 -0.9422 -0.9422 -0.4226 -0.4226 -0.4128 -0.4128 -0.2814 -0.2814 -0.2779 -0.2779 -0.2379 -0.2379 -0.2275 -0.2275 -0.1317 -0.1317 -0.1197 -0.1197 -0.0109 -0.0109 0.0034 0.0034 0.7345 0.7345 0.7358 0.7358 7.1327 7.1327 7.1330 7.1330 k = 0.4535-0.0000 0.2313 ( 8112 PWs) bands (ev): -15.7915 -15.7915 -15.7915 -15.7915 -15.6624 -15.6624 -15.6624 -15.6624 -13.5199 -13.5199 -13.5198 -13.5198 -13.4467 -13.4467 -13.4467 -13.4467 -3.8432 -3.8432 -3.8429 -3.8429 -3.4509 -3.4509 -3.4469 -3.4469 -3.2491 -3.2491 -3.2460 -3.2460 -2.9034 -2.9034 -2.8631 -2.8631 -2.7980 -2.7980 -2.7304 -2.7304 -2.5698 -2.5698 -2.5351 -2.5351 -2.3647 -2.3647 -2.3617 -2.3617 -1.9012 -1.9012 -1.8961 -1.8961 -1.5161 -1.5161 -1.5132 -1.5132 -1.3060 -1.3060 -1.3037 -1.3037 -0.9407 -0.9407 -0.9384 -0.9384 -0.4184 -0.4184 -0.4103 -0.4103 -0.2796 -0.2796 -0.2755 -0.2755 -0.2413 -0.2413 -0.2314 -0.2314 -0.1326 -0.1326 -0.1226 -0.1226 -0.0124 -0.0124 -0.0006 -0.0006 0.7337 0.7337 0.7347 0.7347 7.1343 7.1343 7.1345 7.1345 k = 0.4651-0.0000 0.2313 ( 8120 PWs) bands (ev): -15.7909 -15.7909 -15.7909 -15.7909 -15.6620 -15.6620 -15.6620 -15.6620 -13.5179 -13.5179 -13.5179 -13.5179 -13.4461 -13.4461 -13.4460 -13.4460 -3.8447 -3.8447 -3.8445 -3.8445 -3.4508 -3.4508 -3.4478 -3.4478 -3.2497 -3.2497 -3.2473 -3.2473 -2.8955 -2.8955 -2.8565 -2.8565 -2.8076 -2.8076 -2.7482 -2.7482 -2.5681 -2.5681 -2.5423 -2.5423 -2.3605 -2.3605 -2.3584 -2.3584 -1.9053 -1.9053 -1.9014 -1.9014 -1.5206 -1.5206 -1.5184 -1.5184 -1.3069 -1.3069 -1.3052 -1.3052 -0.9372 -0.9372 -0.9354 -0.9354 -0.4152 -0.4152 -0.4091 -0.4091 -0.2771 -0.2771 -0.2727 -0.2727 -0.2442 -0.2442 -0.2354 -0.2354 -0.1332 -0.1332 -0.1254 -0.1254 -0.0131 -0.0131 -0.0040 -0.0040 0.7330 0.7330 0.7338 0.7338 7.1354 7.1354 7.1356 7.1356 k = 0.4767-0.0000 0.2313 ( 8134 PWs) bands (ev): -15.7904 -15.7904 -15.7904 -15.7904 -15.6617 -15.6617 -15.6617 -15.6617 -13.5165 -13.5165 -13.5165 -13.5165 -13.4456 -13.4456 -13.4456 -13.4456 -3.8458 -3.8458 -3.8456 -3.8456 -3.4506 -3.4506 -3.4485 -3.4485 -3.2500 -3.2500 -3.2484 -3.2484 -2.8865 -2.8865 -2.8539 -2.8539 -2.8115 -2.8115 -2.7654 -2.7654 -2.5655 -2.5655 -2.5485 -2.5485 -2.3572 -2.3572 -2.3560 -2.3560 -1.9082 -1.9082 -1.9056 -1.9056 -1.5236 -1.5236 -1.5221 -1.5221 -1.3075 -1.3075 -1.3063 -1.3063 -0.9345 -0.9345 -0.9334 -0.9334 -0.4128 -0.4128 -0.4087 -0.4087 -0.2742 -0.2742 -0.2701 -0.2701 -0.2464 -0.2464 -0.2392 -0.2392 -0.1332 -0.1332 -0.1280 -0.1280 -0.0132 -0.0132 -0.0070 -0.0070 0.7325 0.7325 0.7331 0.7331 7.1361 7.1361 7.1362 7.1362 k = 0.4884-0.0000 0.2313 ( 8130 PWs) bands (ev): -15.7901 -15.7901 -15.7901 -15.7901 -15.6615 -15.6615 -15.6615 -15.6615 -13.5157 -13.5157 -13.5157 -13.5157 -13.4454 -13.4454 -13.4454 -13.4454 -3.8464 -3.8464 -3.8464 -3.8464 -3.4503 -3.4503 -3.4492 -3.4492 -3.2500 -3.2500 -3.2492 -3.2492 -2.8767 -2.8767 -2.8581 -2.8581 -2.8068 -2.8068 -2.7815 -2.7815 -2.5623 -2.5623 -2.5538 -2.5538 -2.3550 -2.3550 -2.3545 -2.3545 -1.9098 -1.9098 -1.9084 -1.9084 -1.5252 -1.5252 -1.5245 -1.5245 -1.3077 -1.3077 -1.3071 -1.3071 -0.9328 -0.9328 -0.9322 -0.9322 -0.4111 -0.4111 -0.4090 -0.4090 -0.2714 -0.2714 -0.2688 -0.2688 -0.2469 -0.2469 -0.2428 -0.2428 -0.1328 -0.1328 -0.1301 -0.1301 -0.0126 -0.0126 -0.0095 -0.0095 0.7323 0.7323 0.7326 0.7326 7.1364 7.1364 7.1365 7.1365 k = 0.5000-0.0000 0.2313 ( 8140 PWs) bands (ev): -15.7900 -15.7900 -15.7900 -15.7900 -15.6615 -15.6615 -15.6615 -15.6615 -13.5154 -13.5154 -13.5154 -13.5154 -13.4453 -13.4453 -13.4453 -13.4453 -3.8466 -3.8466 -3.8466 -3.8466 -3.4498 -3.4498 -3.4498 -3.4498 -3.2497 -3.2497 -3.2497 -3.2497 -2.8668 -2.8668 -2.8668 -2.8668 -2.7957 -2.7957 -2.7957 -2.7957 -2.5584 -2.5584 -2.5584 -2.5584 -2.3541 -2.3541 -2.3541 -2.3541 -1.9099 -1.9099 -1.9099 -1.9099 -1.5255 -1.5255 -1.5255 -1.5255 -1.3076 -1.3076 -1.3076 -1.3076 -0.9320 -0.9320 -0.9320 -0.9320 -0.4098 -0.4098 -0.4098 -0.4098 -0.2693 -0.2693 -0.2693 -0.2693 -0.2456 -0.2456 -0.2456 -0.2456 -0.1317 -0.1317 -0.1317 -0.1317 -0.0113 -0.0113 -0.0113 -0.0113 0.7323 0.7323 0.7323 0.7323 7.1366 7.1366 7.1366 7.1366 k = 0.5000-0.0000 0.2313 ( 8140 PWs) bands (ev): -15.7900 -15.7900 -15.7900 -15.7900 -15.6615 -15.6615 -15.6615 -15.6615 -13.5154 -13.5154 -13.5154 -13.5154 -13.4453 -13.4453 -13.4453 -13.4453 -3.8466 -3.8466 -3.8466 -3.8466 -3.4498 -3.4498 -3.4498 -3.4498 -3.2497 -3.2497 -3.2497 -3.2497 -2.8668 -2.8668 -2.8668 -2.8668 -2.7957 -2.7957 -2.7957 -2.7957 -2.5584 -2.5584 -2.5584 -2.5584 -2.3541 -2.3541 -2.3541 -2.3541 -1.9099 -1.9099 -1.9099 -1.9099 -1.5255 -1.5255 -1.5255 -1.5255 -1.3076 -1.3076 -1.3076 -1.3076 -0.9320 -0.9320 -0.9320 -0.9320 -0.4098 -0.4098 -0.4098 -0.4098 -0.2693 -0.2693 -0.2693 -0.2693 -0.2456 -0.2456 -0.2456 -0.2456 -0.1317 -0.1317 -0.1317 -0.1317 -0.0113 -0.0113 -0.0113 -0.0113 0.7323 0.7323 0.7323 0.7323 7.1366 7.1366 7.1366 7.1366 k = 0.5000 0.0115 0.2313 ( 8132 PWs) bands (ev): -15.7900 -15.7900 -15.7900 -15.7900 -15.6615 -15.6615 -15.6615 -15.6615 -13.5153 -13.5153 -13.5153 -13.5153 -13.4454 -13.4454 -13.4453 -13.4453 -3.8476 -3.8476 -3.8471 -3.8471 -3.4518 -3.4518 -3.4480 -3.4480 -3.2519 -3.2519 -3.2473 -3.2473 -2.8667 -2.8667 -2.8655 -2.8655 -2.7956 -2.7956 -2.7944 -2.7944 -2.5589 -2.5589 -2.5574 -2.5574 -2.3554 -2.3554 -2.3548 -2.3548 -1.9095 -1.9095 -1.9090 -1.9090 -1.5269 -1.5269 -1.5240 -1.5240 -1.3083 -1.3083 -1.3056 -1.3056 -0.9331 -0.9331 -0.9318 -0.9318 -0.4107 -0.4107 -0.4095 -0.4095 -0.2715 -0.2715 -0.2708 -0.2708 -0.2455 -0.2455 -0.2449 -0.2449 -0.1324 -0.1324 -0.1306 -0.1306 -0.0119 -0.0119 -0.0095 -0.0095 0.7317 0.7317 0.7324 0.7324 7.1352 7.1352 7.1354 7.1354 k = 0.5000 0.0229 0.2313 ( 8124 PWs) bands (ev): -15.7899 -15.7899 -15.7899 -15.7899 -15.6616 -15.6616 -15.6616 -15.6616 -13.5151 -13.5151 -13.5151 -13.5151 -13.4456 -13.4456 -13.4456 -13.4456 -3.8501 -3.8501 -3.8491 -3.8491 -3.4541 -3.4541 -3.4465 -3.4465 -3.2537 -3.2537 -3.2445 -3.2445 -2.8651 -2.8651 -2.8628 -2.8628 -2.7941 -2.7941 -2.7917 -2.7917 -2.5589 -2.5589 -2.5558 -2.5558 -2.3587 -2.3587 -2.3575 -2.3575 -1.9079 -1.9079 -1.9070 -1.9070 -1.5281 -1.5281 -1.5224 -1.5224 -1.3077 -1.3077 -1.3024 -1.3024 -0.9349 -0.9349 -0.9323 -0.9323 -0.4122 -0.4122 -0.4097 -0.4097 -0.2770 -0.2770 -0.2760 -0.2760 -0.2444 -0.2444 -0.2434 -0.2434 -0.1328 -0.1328 -0.1294 -0.1294 -0.0111 -0.0111 -0.0065 -0.0065 0.7306 0.7306 0.7319 0.7319 7.1314 7.1314 7.1317 7.1317 k = 0.5000 0.0344 0.2313 ( 8124 PWs) bands (ev): -15.7897 -15.7897 -15.7897 -15.7897 -15.6618 -15.6618 -15.6618 -15.6618 -13.5147 -13.5147 -13.5147 -13.5147 -13.4460 -13.4460 -13.4460 -13.4460 -3.8539 -3.8539 -3.8525 -3.8525 -3.4564 -3.4564 -3.4453 -3.4453 -3.2551 -3.2551 -3.2415 -3.2415 -2.8623 -2.8623 -2.8589 -2.8589 -2.7912 -2.7912 -2.7875 -2.7875 -2.5584 -2.5584 -2.5537 -2.5537 -2.3638 -2.3638 -2.3620 -2.3620 -1.9052 -1.9052 -1.9038 -1.9038 -1.5289 -1.5289 -1.5207 -1.5207 -1.3058 -1.3058 -1.2980 -1.2980 -0.9374 -0.9374 -0.9336 -0.9336 -0.4145 -0.4145 -0.4106 -0.4106 -0.2855 -0.2855 -0.2844 -0.2844 -0.2421 -0.2421 -0.2409 -0.2409 -0.1331 -0.1331 -0.1286 -0.1286 -0.0089 -0.0089 -0.0024 -0.0024 0.7289 0.7289 0.7309 0.7309 7.1254 7.1254 7.1259 7.1259 k = 0.5000 0.0458 0.2313 ( 8116 PWs) bands (ev): -15.7895 -15.7895 -15.7895 -15.7895 -15.6621 -15.6621 -15.6620 -15.6620 -13.5141 -13.5141 -13.5141 -13.5141 -13.4466 -13.4466 -13.4465 -13.4465 -3.8590 -3.8590 -3.8572 -3.8572 -3.4589 -3.4589 -3.4444 -3.4444 -3.2562 -3.2562 -3.2383 -3.2383 -2.8585 -2.8585 -2.8540 -2.8540 -2.7867 -2.7867 -2.7819 -2.7819 -2.5574 -2.5574 -2.5510 -2.5510 -2.3706 -2.3706 -2.3681 -2.3681 -1.9016 -1.9016 -1.8998 -1.8998 -1.5295 -1.5295 -1.5188 -1.5188 -1.3026 -1.3026 -1.2925 -1.2925 -0.9407 -0.9407 -0.9356 -0.9356 -0.4179 -0.4179 -0.4124 -0.4124 -0.2962 -0.2962 -0.2950 -0.2950 -0.2389 -0.2389 -0.2374 -0.2374 -0.1338 -0.1338 -0.1286 -0.1286 -0.0054 -0.0054 0.0025 0.0025 0.7268 0.7268 0.7295 0.7295 7.1175 7.1175 7.1180 7.1180 k = 0.5000 0.0573 0.2313 ( 8108 PWs) bands (ev): -15.7892 -15.7892 -15.7892 -15.7892 -15.6624 -15.6624 -15.6623 -15.6623 -13.5134 -13.5134 -13.5134 -13.5134 -13.4473 -13.4473 -13.4472 -13.4472 -3.8652 -3.8652 -3.8630 -3.8630 -3.4614 -3.4614 -3.4437 -3.4437 -3.2569 -3.2569 -3.2350 -3.2350 -2.8538 -2.8538 -2.8485 -2.8485 -2.7808 -2.7808 -2.7749 -2.7749 -2.5558 -2.5558 -2.5478 -2.5478 -2.3788 -2.3788 -2.3757 -2.3757 -1.8972 -1.8972 -1.8949 -1.8949 -1.5296 -1.5296 -1.5168 -1.5168 -1.2981 -1.2981 -1.2859 -1.2859 -0.9447 -0.9447 -0.9383 -0.9383 -0.4228 -0.4228 -0.4155 -0.4155 -0.3080 -0.3080 -0.3070 -0.3070 -0.2349 -0.2349 -0.2331 -0.2331 -0.1351 -0.1351 -0.1296 -0.1296 -0.0007 -0.0007 0.0082 0.0082 0.7242 0.7242 0.7275 0.7275 7.1080 7.1080 7.1087 7.1087 k = 0.5000 0.0687 0.2313 ( 8104 PWs) bands (ev): -15.7889 -15.7889 -15.7889 -15.7889 -15.6627 -15.6627 -15.6627 -15.6627 -13.5125 -13.5125 -13.5125 -13.5125 -13.4481 -13.4481 -13.4481 -13.4481 -3.8724 -3.8724 -3.8698 -3.8698 -3.4639 -3.4639 -3.4433 -3.4433 -3.2573 -3.2573 -3.2315 -3.2315 -2.8486 -2.8486 -2.8425 -2.8425 -2.7735 -2.7735 -2.7668 -2.7668 -2.5538 -2.5538 -2.5441 -2.5441 -2.3882 -2.3882 -2.3845 -2.3845 -1.8923 -1.8923 -1.8895 -1.8895 -1.5291 -1.5291 -1.5145 -1.5145 -1.2925 -1.2925 -1.2784 -1.2784 -0.9492 -0.9492 -0.9416 -0.9416 -0.4297 -0.4297 -0.4205 -0.4205 -0.3198 -0.3198 -0.3191 -0.3191 -0.2306 -0.2306 -0.2283 -0.2283 -0.1370 -0.1370 -0.1314 -0.1314 0.0050 0.0050 0.0144 0.0144 0.7212 0.7212 0.7252 0.7252 7.0974 7.0974 7.0982 7.0982 k = 0.5000 0.0802 0.2313 ( 8096 PWs) bands (ev): -15.7885 -15.7885 -15.7885 -15.7885 -15.6632 -15.6632 -15.6631 -15.6631 -13.5115 -13.5115 -13.5114 -13.5114 -13.4491 -13.4491 -13.4490 -13.4490 -3.8803 -3.8803 -3.8775 -3.8775 -3.4664 -3.4664 -3.4430 -3.4430 -3.2574 -3.2574 -3.2280 -3.2280 -2.8430 -2.8430 -2.8363 -2.8363 -2.7650 -2.7650 -2.7576 -2.7576 -2.5514 -2.5514 -2.5398 -2.5398 -2.3985 -2.3985 -2.3941 -2.3941 -1.8870 -1.8870 -1.8837 -1.8837 -1.5280 -1.5280 -1.5119 -1.5119 -1.2858 -1.2858 -1.2700 -1.2700 -0.9543 -0.9543 -0.9454 -0.9454 -0.4392 -0.4392 -0.4279 -0.4279 -0.3307 -0.3307 -0.3302 -0.3302 -0.2265 -0.2265 -0.2233 -0.2233 -0.1393 -0.1393 -0.1337 -0.1337 0.0111 0.0111 0.0209 0.0209 0.7179 0.7179 0.7225 0.7225 7.0862 7.0862 7.0871 7.0871 k = 0.5000 0.0916 0.2313 ( 8096 PWs) bands (ev): -15.7881 -15.7881 -15.7881 -15.7881 -15.6636 -15.6636 -15.6635 -15.6635 -13.5103 -13.5103 -13.5103 -13.5103 -13.4503 -13.4503 -13.4502 -13.4502 -3.8888 -3.8888 -3.8857 -3.8857 -3.4687 -3.4687 -3.4429 -3.4429 -3.2573 -3.2573 -3.2244 -3.2244 -2.8371 -2.8371 -2.8302 -2.8302 -2.7555 -2.7555 -2.7476 -2.7476 -2.5487 -2.5487 -2.5352 -2.5352 -2.4094 -2.4094 -2.4041 -2.4041 -1.8816 -1.8816 -1.8777 -1.8777 -1.5262 -1.5262 -1.5088 -1.5088 -1.2781 -1.2781 -1.2609 -1.2609 -0.9600 -0.9600 -0.9498 -0.9498 -0.4517 -0.4517 -0.4383 -0.4383 -0.3397 -0.3397 -0.3395 -0.3395 -0.2231 -0.2231 -0.2187 -0.2187 -0.1416 -0.1416 -0.1359 -0.1359 0.0176 0.0176 0.0274 0.0274 0.7143 0.7143 0.7196 0.7196 7.0748 7.0748 7.0758 7.0758 k = 0.5000 0.1031 0.2313 ( 8084 PWs) bands (ev): -15.7876 -15.7876 -15.7876 -15.7876 -15.6641 -15.6641 -15.6640 -15.6640 -13.5091 -13.5091 -13.5090 -13.5090 -13.4515 -13.4515 -13.4514 -13.4514 -3.8976 -3.8976 -3.8944 -3.8944 -3.4710 -3.4710 -3.4430 -3.4430 -3.2569 -3.2569 -3.2209 -3.2209 -2.8310 -2.8310 -2.8240 -2.8240 -2.7453 -2.7453 -2.7373 -2.7373 -2.5459 -2.5459 -2.5304 -2.5304 -2.4204 -2.4204 -2.4141 -2.4141 -1.8763 -1.8763 -1.8718 -1.8718 -1.5235 -1.5235 -1.5052 -1.5052 -1.2695 -1.2695 -1.2511 -1.2511 -0.9660 -0.9660 -0.9545 -0.9545 -0.4671 -0.4671 -0.4519 -0.4519 -0.3468 -0.3468 -0.3465 -0.3465 -0.2210 -0.2210 -0.2151 -0.2151 -0.1431 -0.1431 -0.1370 -0.1370 0.0240 0.0240 0.0338 0.0338 0.7106 0.7106 0.7164 0.7164 7.0635 7.0635 7.0645 7.0645 k = 0.5000 0.1146 0.2313 ( 8092 PWs) bands (ev): -15.7871 -15.7871 -15.7871 -15.7871 -15.6646 -15.6646 -15.6646 -15.6646 -13.5077 -13.5077 -13.5076 -13.5076 -13.4529 -13.4529 -13.4528 -13.4528 -3.9066 -3.9066 -3.9032 -3.9032 -3.4730 -3.4730 -3.4432 -3.4432 -3.2563 -3.2563 -3.2174 -3.2174 -2.8247 -2.8247 -2.8180 -2.8180 -2.7348 -2.7348 -2.7269 -2.7269 -2.5434 -2.5434 -2.5257 -2.5257 -2.4310 -2.4310 -2.4237 -2.4237 -1.8711 -1.8711 -1.8660 -1.8660 -1.5200 -1.5200 -1.5011 -1.5011 -1.2603 -1.2603 -1.2408 -1.2408 -0.9724 -0.9724 -0.9596 -0.9596 -0.4850 -0.4850 -0.4683 -0.4683 -0.3519 -0.3519 -0.3514 -0.3514 -0.2209 -0.2209 -0.2133 -0.2133 -0.1432 -0.1432 -0.1366 -0.1366 0.0301 0.0301 0.0399 0.0399 0.7067 0.7067 0.7131 0.7131 7.0526 7.0526 7.0537 7.0537 k = 0.5000 0.1260 0.2313 ( 8084 PWs) bands (ev): -15.7867 -15.7867 -15.7866 -15.7866 -15.6652 -15.6652 -15.6651 -15.6651 -13.5062 -13.5062 -13.5061 -13.5061 -13.4544 -13.4544 -13.4542 -13.4542 -3.9155 -3.9155 -3.9120 -3.9120 -3.4750 -3.4750 -3.4434 -3.4434 -3.2555 -3.2555 -3.2140 -3.2140 -2.8184 -2.8184 -2.8120 -2.8120 -2.7243 -2.7243 -2.7167 -2.7167 -2.5417 -2.5417 -2.5218 -2.5218 -2.4405 -2.4405 -2.4320 -2.4320 -1.8663 -1.8663 -1.8605 -1.8605 -1.5156 -1.5156 -1.4962 -1.4962 -1.2506 -1.2506 -1.2302 -1.2302 -0.9791 -0.9791 -0.9650 -0.9650 -0.5048 -0.5048 -0.4866 -0.4866 -0.3555 -0.3555 -0.3544 -0.3544 -0.2230 -0.2230 -0.2137 -0.2137 -0.1413 -0.1413 -0.1341 -0.1341 0.0358 0.0358 0.0455 0.0455 0.7028 0.7028 0.7097 0.7097 7.0424 7.0424 7.0436 7.0436 k = 0.5000 0.1375 0.2313 ( 8100 PWs) bands (ev): -15.7862 -15.7862 -15.7862 -15.7862 -15.6657 -15.6657 -15.6656 -15.6656 -13.5046 -13.5046 -13.5045 -13.5045 -13.4560 -13.4560 -13.4558 -13.4558 -3.9243 -3.9243 -3.9207 -3.9207 -3.4768 -3.4768 -3.4437 -3.4437 -3.2547 -3.2547 -3.2108 -3.2108 -2.8120 -2.8120 -2.8061 -2.8061 -2.7140 -2.7140 -2.7069 -2.7069 -2.5414 -2.5414 -2.5198 -2.5198 -2.4478 -2.4478 -2.4385 -2.4385 -1.8619 -1.8619 -1.8554 -1.8554 -1.5104 -1.5104 -1.4907 -1.4907 -1.2406 -1.2406 -1.2194 -1.2194 -0.9860 -0.9860 -0.9706 -0.9706 -0.5257 -0.5257 -0.5061 -0.5061 -0.3579 -0.3579 -0.3563 -0.3563 -0.2272 -0.2272 -0.2164 -0.2164 -0.1373 -0.1373 -0.1298 -0.1298 0.0409 0.0409 0.0505 0.0505 0.6990 0.6990 0.7064 0.7064 7.0332 7.0332 7.0343 7.0343 k = 0.5000 0.1489 0.2313 ( 8108 PWs) bands (ev): -15.7857 -15.7857 -15.7857 -15.7857 -15.6663 -15.6663 -15.6661 -15.6661 -13.5029 -13.5029 -13.5028 -13.5028 -13.4576 -13.4576 -13.4574 -13.4574 -3.9327 -3.9327 -3.9290 -3.9290 -3.4784 -3.4784 -3.4439 -3.4439 -3.2537 -3.2537 -3.2078 -3.2078 -2.8055 -2.8055 -2.8003 -2.8003 -2.7042 -2.7042 -2.6978 -2.6978 -2.5432 -2.5432 -2.5207 -2.5207 -2.4519 -2.4519 -2.4426 -2.4426 -1.8580 -1.8580 -1.8508 -1.8508 -1.5044 -1.5044 -1.4846 -1.4846 -1.2304 -1.2304 -1.2085 -1.2085 -0.9931 -0.9931 -0.9763 -0.9763 -0.5471 -0.5471 -0.5262 -0.5262 -0.3595 -0.3595 -0.3573 -0.3573 -0.2328 -0.2328 -0.2207 -0.2207 -0.1318 -0.1318 -0.1241 -0.1241 0.0454 0.0454 0.0549 0.0549 0.6953 0.6953 0.7031 0.7031 7.0248 7.0248 7.0260 7.0260 k = 0.5000 0.1604 0.2313 ( 8084 PWs) bands (ev): -15.7852 -15.7852 -15.7852 -15.7852 -15.6668 -15.6668 -15.6667 -15.6667 -13.5012 -13.5012 -13.5011 -13.5011 -13.4593 -13.4593 -13.4591 -13.4591 -3.9405 -3.9405 -3.9368 -3.9368 -3.4798 -3.4798 -3.4442 -3.4442 -3.2527 -3.2527 -3.2049 -3.2049 -2.7992 -2.7992 -2.7947 -2.7947 -2.6949 -2.6949 -2.6892 -2.6892 -2.5473 -2.5473 -2.5249 -2.5249 -2.4523 -2.4523 -2.4439 -2.4439 -1.8546 -1.8546 -1.8467 -1.8467 -1.4977 -1.4977 -1.4778 -1.4778 -1.2203 -1.2203 -1.1977 -1.1977 -1.0002 -1.0002 -0.9821 -0.9821 -0.5683 -0.5683 -0.5461 -0.5461 -0.3605 -0.3605 -0.3577 -0.3577 -0.2392 -0.2392 -0.2261 -0.2261 -0.1254 -0.1254 -0.1175 -0.1175 0.0492 0.0492 0.0587 0.0587 0.6917 0.6917 0.7000 0.7000 7.0176 7.0176 7.0187 7.0187 k = 0.5000 0.1718 0.2313 ( 8088 PWs) bands (ev): -15.7848 -15.7848 -15.7847 -15.7847 -15.6673 -15.6673 -15.6671 -15.6671 -13.4994 -13.4994 -13.4993 -13.4993 -13.4611 -13.4611 -13.4609 -13.4609 -3.9478 -3.9478 -3.9440 -3.9440 -3.4810 -3.4810 -3.4445 -3.4445 -3.2518 -3.2518 -3.2023 -3.2023 -2.7929 -2.7929 -2.7894 -2.7894 -2.6863 -2.6863 -2.6814 -2.6814 -2.5536 -2.5536 -2.5320 -2.5320 -2.4498 -2.4498 -2.4429 -2.4429 -1.8517 -1.8517 -1.8432 -1.8432 -1.4906 -1.4906 -1.4708 -1.4708 -1.2106 -1.2106 -1.1874 -1.1874 -1.0072 -1.0072 -0.9877 -0.9877 -0.5889 -0.5889 -0.5653 -0.5653 -0.3611 -0.3611 -0.3578 -0.3578 -0.2461 -0.2461 -0.2320 -0.2320 -0.1186 -0.1186 -0.1106 -0.1106 0.0523 0.0523 0.0619 0.0619 0.6884 0.6884 0.6971 0.6971 7.0114 7.0114 7.0125 7.0125 k = 0.5000 0.1833 0.2313 ( 8072 PWs) bands (ev): -15.7843 -15.7843 -15.7843 -15.7843 -15.6677 -15.6677 -15.6676 -15.6676 -13.4976 -13.4976 -13.4976 -13.4976 -13.4628 -13.4628 -13.4626 -13.4626 -3.9542 -3.9542 -3.9504 -3.9504 -3.4821 -3.4821 -3.4448 -3.4448 -3.2508 -3.2508 -3.1999 -3.1999 -2.7870 -2.7870 -2.7844 -2.7844 -2.6782 -2.6782 -2.6741 -2.6741 -2.5614 -2.5614 -2.5407 -2.5407 -2.4455 -2.4455 -2.4402 -2.4402 -1.8493 -1.8493 -1.8402 -1.8402 -1.4834 -1.4834 -1.4635 -1.4635 -1.2014 -1.2014 -1.1776 -1.1776 -1.0140 -1.0140 -0.9932 -0.9932 -0.6082 -0.6082 -0.5833 -0.5833 -0.3614 -0.3614 -0.3576 -0.3576 -0.2527 -0.2527 -0.2378 -0.2378 -0.1118 -0.1118 -0.1037 -0.1037 0.0547 0.0547 0.0644 0.0644 0.6855 0.6855 0.6944 0.6944 7.0063 7.0063 7.0073 7.0073 k = 0.5000 0.1948 0.2313 ( 8072 PWs) bands (ev): -15.7840 -15.7840 -15.7840 -15.7840 -15.6681 -15.6681 -15.6680 -15.6680 -13.4959 -13.4959 -13.4959 -13.4959 -13.4645 -13.4645 -13.4642 -13.4642 -3.9599 -3.9599 -3.9560 -3.9560 -3.4830 -3.4830 -3.4450 -3.4450 -3.2500 -3.2500 -3.1979 -3.1979 -2.7815 -2.7815 -2.7799 -2.7799 -2.6707 -2.6707 -2.6673 -2.6673 -2.5702 -2.5702 -2.5499 -2.5499 -2.4406 -2.4406 -2.4367 -2.4367 -1.8473 -1.8473 -1.8377 -1.8377 -1.4764 -1.4764 -1.4564 -1.4564 -1.1930 -1.1930 -1.1686 -1.1686 -1.0203 -1.0203 -0.9982 -0.9982 -0.6258 -0.6258 -0.5996 -0.5996 -0.3615 -0.3615 -0.3573 -0.3573 -0.2590 -0.2590 -0.2434 -0.2434 -0.1055 -0.1055 -0.0973 -0.0973 0.0566 0.0566 0.0663 0.0663 0.6829 0.6829 0.6921 0.6921 7.0022 7.0022 7.0032 7.0032 k = 0.5000 0.2062 0.2313 ( 8080 PWs) bands (ev): -15.7837 -15.7837 -15.7837 -15.7837 -15.6685 -15.6685 -15.6683 -15.6683 -13.4943 -13.4943 -13.4943 -13.4943 -13.4661 -13.4661 -13.4658 -13.4658 -3.9646 -3.9646 -3.9608 -3.9608 -3.4838 -3.4838 -3.4452 -3.4452 -3.2493 -3.2493 -3.1962 -3.1962 -2.7767 -2.7767 -2.7760 -2.7760 -2.6639 -2.6639 -2.6609 -2.6609 -2.5792 -2.5792 -2.5591 -2.5591 -2.4358 -2.4358 -2.4329 -2.4329 -1.8458 -1.8458 -1.8358 -1.8358 -1.4699 -1.4699 -1.4499 -1.4499 -1.1856 -1.1856 -1.1608 -1.1608 -1.0261 -1.0261 -1.0028 -1.0028 -0.6411 -0.6411 -0.6137 -0.6137 -0.3616 -0.3616 -0.3569 -0.3569 -0.2645 -0.2645 -0.2482 -0.2482 -0.0999 -0.0999 -0.0916 -0.0916 0.0579 0.0579 0.0677 0.0677 0.6807 0.6807 0.6901 0.6901 6.9990 6.9990 6.9999 6.9999 k = 0.5000 0.2177 0.2313 ( 8072 PWs) bands (ev): -15.7834 -15.7834 -15.7834 -15.7834 -15.6687 -15.6687 -15.6686 -15.6686 -13.4929 -13.4929 -13.4928 -13.4928 -13.4675 -13.4675 -13.4672 -13.4672 -3.9684 -3.9684 -3.9645 -3.9645 -3.4844 -3.4844 -3.4454 -3.4454 -3.2487 -3.2487 -3.1948 -3.1948 -2.7727 -2.7727 -2.7726 -2.7726 -2.6578 -2.6578 -2.6549 -2.6549 -2.5879 -2.5879 -2.5674 -2.5674 -2.4317 -2.4317 -2.4296 -2.4296 -1.8447 -1.8447 -1.8343 -1.8343 -1.4643 -1.4643 -1.4442 -1.4442 -1.1796 -1.1796 -1.1544 -1.1544 -1.0309 -1.0309 -1.0066 -1.0066 -0.6536 -0.6536 -0.6252 -0.6252 -0.3615 -0.3615 -0.3566 -0.3566 -0.2689 -0.2689 -0.2522 -0.2522 -0.0953 -0.0953 -0.0869 -0.0869 0.0588 0.0588 0.0688 0.0688 0.6789 0.6789 0.6886 0.6886 6.9966 6.9966 6.9975 6.9975 k = 0.5000 0.2291 0.2313 ( 8072 PWs) bands (ev): -15.7832 -15.7832 -15.7832 -15.7832 -15.6689 -15.6689 -15.6688 -15.6688 -13.4917 -13.4917 -13.4917 -13.4917 -13.4687 -13.4687 -13.4684 -13.4684 -3.9711 -3.9711 -3.9672 -3.9672 -3.4848 -3.4848 -3.4455 -3.4455 -3.2482 -3.2482 -3.1938 -3.1938 -2.7703 -2.7703 -2.7695 -2.7695 -2.6528 -2.6528 -2.6496 -2.6496 -2.5954 -2.5954 -2.5742 -2.5742 -2.4285 -2.4285 -2.4269 -2.4269 -1.8439 -1.8439 -1.8333 -1.8333 -1.4601 -1.4601 -1.4399 -1.4399 -1.1751 -1.1751 -1.1496 -1.1496 -1.0346 -1.0346 -1.0095 -1.0095 -0.6629 -0.6629 -0.6337 -0.6337 -0.3615 -0.3615 -0.3563 -0.3563 -0.2723 -0.2723 -0.2552 -0.2552 -0.0918 -0.0918 -0.0834 -0.0834 0.0594 0.0594 0.0694 0.0694 0.6776 0.6776 0.6874 0.6874 6.9949 6.9949 6.9958 6.9958 k = 0.5000 0.2406 0.2313 ( 8072 PWs) bands (ev): -15.7831 -15.7831 -15.7831 -15.7831 -15.6690 -15.6690 -15.6689 -15.6689 -13.4910 -13.4910 -13.4909 -13.4909 -13.4694 -13.4694 -13.4691 -13.4691 -3.9727 -3.9727 -3.9689 -3.9689 -3.4850 -3.4850 -3.4456 -3.4456 -3.2480 -3.2480 -3.1932 -3.1932 -2.7688 -2.7688 -2.7676 -2.7676 -2.6494 -2.6494 -2.6456 -2.6456 -2.6010 -2.6010 -2.5788 -2.5788 -2.4266 -2.4266 -2.4252 -2.4252 -1.8435 -1.8435 -1.8327 -1.8327 -1.4574 -1.4574 -1.4371 -1.4371 -1.1723 -1.1723 -1.1466 -1.1466 -1.0369 -1.0369 -1.0113 -1.0113 -0.6686 -0.6686 -0.6389 -0.6389 -0.3615 -0.3615 -0.3561 -0.3561 -0.2743 -0.2743 -0.2570 -0.2570 -0.0897 -0.0897 -0.0812 -0.0812 0.0597 0.0597 0.0698 0.0698 0.6769 0.6769 0.6867 0.6867 6.9940 6.9940 6.9949 6.9949 k = 0.5000 0.2520 0.2313 ( 8072 PWs) bands (ev): -15.7831 -15.7831 -15.7831 -15.7831 -15.6691 -15.6691 -15.6689 -15.6689 -13.4907 -13.4907 -13.4907 -13.4907 -13.4697 -13.4697 -13.4694 -13.4694 -3.9733 -3.9733 -3.9694 -3.9694 -3.4851 -3.4851 -3.4456 -3.4456 -3.2479 -3.2479 -3.1930 -3.1930 -2.7683 -2.7683 -2.7670 -2.7670 -2.6481 -2.6481 -2.6440 -2.6440 -2.6030 -2.6030 -2.5804 -2.5804 -2.4259 -2.4259 -2.4246 -2.4246 -1.8433 -1.8433 -1.8325 -1.8325 -1.4564 -1.4564 -1.4361 -1.4361 -1.1714 -1.1714 -1.1456 -1.1456 -1.0377 -1.0377 -1.0119 -1.0119 -0.6706 -0.6706 -0.6407 -0.6407 -0.3614 -0.3614 -0.3561 -0.3561 -0.2750 -0.2750 -0.2576 -0.2576 -0.0890 -0.0890 -0.0804 -0.0804 0.0598 0.0598 0.0699 0.0699 0.6766 0.6766 0.6865 0.6865 6.9937 6.9937 6.9945 6.9945 k = 0.5000 0.2520 0.2313 ( 8072 PWs) bands (ev): -15.7831 -15.7831 -15.7831 -15.7831 -15.6691 -15.6691 -15.6689 -15.6689 -13.4907 -13.4907 -13.4907 -13.4907 -13.4697 -13.4697 -13.4694 -13.4694 -3.9733 -3.9733 -3.9694 -3.9694 -3.4851 -3.4851 -3.4456 -3.4456 -3.2479 -3.2479 -3.1930 -3.1930 -2.7683 -2.7683 -2.7670 -2.7670 -2.6481 -2.6481 -2.6440 -2.6440 -2.6030 -2.6030 -2.5804 -2.5804 -2.4259 -2.4259 -2.4246 -2.4246 -1.8433 -1.8433 -1.8325 -1.8325 -1.4564 -1.4564 -1.4361 -1.4361 -1.1714 -1.1714 -1.1456 -1.1456 -1.0377 -1.0377 -1.0119 -1.0119 -0.6706 -0.6706 -0.6407 -0.6407 -0.3614 -0.3614 -0.3561 -0.3561 -0.2750 -0.2750 -0.2576 -0.2576 -0.0890 -0.0890 -0.0804 -0.0804 0.0598 0.0598 0.0699 0.0699 0.6766 0.6766 0.6865 0.6865 6.9937 6.9937 6.9945 6.9945 k = 0.4884 0.2520 0.2313 ( 8076 PWs) bands (ev): -15.7832 -15.7832 -15.7832 -15.7832 -15.6692 -15.6692 -15.6690 -15.6690 -13.4910 -13.4910 -13.4910 -13.4910 -13.4697 -13.4697 -13.4694 -13.4694 -3.9727 -3.9727 -3.9688 -3.9688 -3.4851 -3.4851 -3.4456 -3.4456 -3.2477 -3.2477 -3.1929 -3.1929 -2.7689 -2.7689 -2.7674 -2.7674 -2.6470 -2.6470 -2.6426 -2.6426 -2.6028 -2.6028 -2.5802 -2.5802 -2.4262 -2.4262 -2.4249 -2.4249 -1.8428 -1.8428 -1.8321 -1.8321 -1.4565 -1.4565 -1.4364 -1.4364 -1.1717 -1.1717 -1.1459 -1.1459 -1.0379 -1.0379 -1.0121 -1.0121 -0.6699 -0.6699 -0.6401 -0.6401 -0.3612 -0.3612 -0.3559 -0.3559 -0.2744 -0.2744 -0.2570 -0.2570 -0.0890 -0.0890 -0.0804 -0.0804 0.0596 0.0596 0.0697 0.0697 0.6768 0.6768 0.6867 0.6867 6.9940 6.9940 6.9949 6.9949 k = 0.4767 0.2520 0.2313 ( 8088 PWs) bands (ev): -15.7834 -15.7834 -15.7834 -15.7834 -15.6694 -15.6694 -15.6692 -15.6692 -13.4920 -13.4920 -13.4920 -13.4920 -13.4699 -13.4699 -13.4696 -13.4696 -3.9710 -3.9710 -3.9671 -3.9671 -3.4850 -3.4850 -3.4456 -3.4456 -3.2472 -3.2472 -3.1924 -3.1924 -2.7705 -2.7705 -2.7685 -2.7685 -2.6437 -2.6437 -2.6385 -2.6385 -2.6021 -2.6021 -2.5796 -2.5796 -2.4271 -2.4271 -2.4259 -2.4259 -1.8412 -1.8412 -1.8311 -1.8311 -1.4567 -1.4567 -1.4371 -1.4371 -1.1728 -1.1728 -1.1469 -1.1469 -1.0385 -1.0385 -1.0125 -1.0125 -0.6678 -0.6678 -0.6383 -0.6383 -0.3605 -0.3605 -0.3553 -0.3553 -0.2726 -0.2726 -0.2552 -0.2552 -0.0890 -0.0890 -0.0804 -0.0804 0.0590 0.0590 0.0691 0.0691 0.6772 0.6772 0.6871 0.6871 6.9952 6.9952 6.9961 6.9961 k = 0.4651 0.2520 0.2313 ( 8092 PWs) bands (ev): -15.7839 -15.7839 -15.7838 -15.7838 -15.6697 -15.6697 -15.6695 -15.6695 -13.4935 -13.4935 -13.4935 -13.4935 -13.4702 -13.4702 -13.4699 -13.4699 -3.9681 -3.9681 -3.9642 -3.9642 -3.4850 -3.4850 -3.4455 -3.4455 -3.2463 -3.2463 -3.1915 -3.1915 -2.7727 -2.7727 -2.7701 -2.7701 -2.6388 -2.6388 -2.6324 -2.6324 -2.6007 -2.6007 -2.5782 -2.5782 -2.4284 -2.4284 -2.4273 -2.4273 -1.8385 -1.8385 -1.8293 -1.8293 -1.4569 -1.4569 -1.4383 -1.4383 -1.1745 -1.1745 -1.1485 -1.1485 -1.0395 -1.0395 -1.0133 -1.0133 -0.6644 -0.6644 -0.6354 -0.6354 -0.3592 -0.3592 -0.3544 -0.3544 -0.2697 -0.2697 -0.2523 -0.2523 -0.0891 -0.0891 -0.0803 -0.0803 0.0581 0.0581 0.0680 0.0680 0.6780 0.6780 0.6879 0.6879 6.9971 6.9971 6.9979 6.9979 k = 0.4535 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.7844 -15.7844 -15.7844 -15.7844 -15.6702 -15.6702 -15.6700 -15.6700 -13.4956 -13.4956 -13.4956 -13.4956 -13.4707 -13.4707 -13.4704 -13.4704 -3.9642 -3.9642 -3.9601 -3.9601 -3.4848 -3.4848 -3.4454 -3.4454 -3.2451 -3.2451 -3.1904 -3.1904 -2.7752 -2.7752 -2.7719 -2.7719 -2.6332 -2.6332 -2.6255 -2.6255 -2.5984 -2.5984 -2.5758 -2.5758 -2.4299 -2.4299 -2.4291 -2.4291 -1.8347 -1.8347 -1.8269 -1.8269 -1.4572 -1.4572 -1.4400 -1.4400 -1.1767 -1.1767 -1.1506 -1.1506 -1.0408 -1.0408 -1.0144 -1.0144 -0.6598 -0.6598 -0.6315 -0.6315 -0.3575 -0.3575 -0.3531 -0.3531 -0.2656 -0.2656 -0.2483 -0.2483 -0.0891 -0.0891 -0.0801 -0.0801 0.0568 0.0568 0.0666 0.0666 0.6791 0.6791 0.6890 0.6890 6.9996 6.9996 7.0005 7.0005 k = 0.4419 0.2520 0.2313 ( 8108 PWs) bands (ev): -15.7852 -15.7852 -15.7852 -15.7852 -15.6708 -15.6708 -15.6706 -15.6706 -13.4982 -13.4982 -13.4982 -13.4982 -13.4714 -13.4714 -13.4711 -13.4711 -3.9592 -3.9592 -3.9550 -3.9550 -3.4847 -3.4847 -3.4453 -3.4453 -3.2436 -3.2436 -3.1890 -3.1890 -2.7774 -2.7774 -2.7734 -2.7734 -2.6277 -2.6277 -2.6189 -2.6189 -2.5950 -2.5950 -2.5718 -2.5718 -2.4312 -2.4312 -2.4309 -2.4309 -1.8300 -1.8300 -1.8238 -1.8238 -1.4575 -1.4575 -1.4420 -1.4420 -1.1793 -1.1793 -1.1531 -1.1531 -1.0426 -1.0426 -1.0159 -1.0159 -0.6541 -0.6541 -0.6265 -0.6265 -0.3553 -0.3553 -0.3514 -0.3514 -0.2606 -0.2606 -0.2433 -0.2433 -0.0891 -0.0891 -0.0799 -0.0799 0.0552 0.0552 0.0649 0.0649 0.6805 0.6805 0.6904 0.6904 7.0028 7.0028 7.0037 7.0037 k = 0.4302 0.2520 0.2313 ( 8108 PWs) bands (ev): -15.7861 -15.7861 -15.7861 -15.7861 -15.6715 -15.6715 -15.6713 -15.6713 -13.5013 -13.5013 -13.5013 -13.5013 -13.4723 -13.4723 -13.4720 -13.4720 -3.9532 -3.9532 -3.9490 -3.9490 -3.4845 -3.4845 -3.4451 -3.4451 -3.2418 -3.2418 -3.1872 -3.1872 -2.7790 -2.7790 -2.7744 -2.7744 -2.6229 -2.6229 -2.6138 -2.6138 -2.5905 -2.5905 -2.5657 -2.5657 -2.4322 -2.4322 -2.4319 -2.4319 -1.8243 -1.8243 -1.8200 -1.8200 -1.4577 -1.4577 -1.4444 -1.4444 -1.1823 -1.1823 -1.1560 -1.1560 -1.0447 -1.0447 -1.0176 -1.0176 -0.6474 -0.6474 -0.6207 -0.6207 -0.3526 -0.3526 -0.3493 -0.3493 -0.2546 -0.2546 -0.2373 -0.2373 -0.0890 -0.0890 -0.0796 -0.0796 0.0532 0.0532 0.0627 0.0627 0.6823 0.6823 0.6921 0.6921 7.0065 7.0065 7.0073 7.0073 k = 0.4186 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.7872 -15.7872 -15.7872 -15.7872 -15.6723 -15.6723 -15.6722 -15.6722 -13.5048 -13.5048 -13.5048 -13.5048 -13.4735 -13.4735 -13.4732 -13.4732 -3.9464 -3.9464 -3.9420 -3.9420 -3.4842 -3.4842 -3.4450 -3.4450 -3.2397 -3.2397 -3.1853 -3.1853 -2.7799 -2.7799 -2.7749 -2.7749 -2.6191 -2.6191 -2.6109 -2.6109 -2.5853 -2.5853 -2.5576 -2.5576 -2.4327 -2.4327 -2.4314 -2.4314 -1.8176 -1.8176 -1.8155 -1.8155 -1.4578 -1.4578 -1.4469 -1.4469 -1.1854 -1.1854 -1.1591 -1.1591 -1.0471 -1.0471 -1.0196 -1.0196 -0.6398 -0.6398 -0.6141 -0.6141 -0.3494 -0.3494 -0.3468 -0.3468 -0.2479 -0.2479 -0.2306 -0.2306 -0.0889 -0.0889 -0.0791 -0.0791 0.0509 0.0509 0.0603 0.0603 0.6844 0.6844 0.6942 0.6942 7.0106 7.0106 7.0114 7.0114 k = 0.4070 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.7884 -15.7884 -15.7884 -15.7884 -15.6733 -15.6733 -15.6731 -15.6731 -13.5087 -13.5087 -13.5087 -13.5087 -13.4749 -13.4749 -13.4746 -13.4746 -3.9388 -3.9388 -3.9343 -3.9343 -3.4840 -3.4840 -3.4448 -3.4448 -3.2373 -3.2373 -3.1831 -3.1831 -2.7798 -2.7798 -2.7747 -2.7747 -2.6162 -2.6162 -2.6100 -2.6100 -2.5802 -2.5802 -2.5483 -2.5483 -2.4318 -2.4318 -2.4292 -2.4292 -1.8104 -1.8104 -1.8101 -1.8101 -1.4576 -1.4576 -1.4494 -1.4494 -1.1885 -1.1885 -1.1622 -1.1622 -1.0499 -1.0499 -1.0219 -1.0219 -0.6315 -0.6315 -0.6069 -0.6069 -0.3457 -0.3457 -0.3439 -0.3439 -0.2404 -0.2404 -0.2232 -0.2232 -0.0886 -0.0886 -0.0785 -0.0785 0.0484 0.0484 0.0575 0.0575 0.6868 0.6868 0.6965 0.6965 7.0150 7.0150 7.0158 7.0158 k = 0.3953 0.2520 0.2313 ( 8088 PWs) bands (ev): -15.7898 -15.7898 -15.7898 -15.7898 -15.6744 -15.6744 -15.6742 -15.6742 -13.5130 -13.5130 -13.5130 -13.5130 -13.4765 -13.4765 -13.4762 -13.4762 -3.9305 -3.9305 -3.9258 -3.9258 -3.4837 -3.4837 -3.4447 -3.4447 -3.2347 -3.2347 -3.1807 -3.1807 -2.7788 -2.7788 -2.7739 -2.7739 -2.6139 -2.6139 -2.6108 -2.6108 -2.5758 -2.5758 -2.5390 -2.5390 -2.4288 -2.4288 -2.4248 -2.4248 -1.8047 -1.8047 -1.8019 -1.8019 -1.4570 -1.4570 -1.4519 -1.4519 -1.1916 -1.1916 -1.1654 -1.1654 -1.0530 -1.0530 -1.0245 -1.0245 -0.6226 -0.6226 -0.5992 -0.5992 -0.3416 -0.3416 -0.3407 -0.3407 -0.2325 -0.2325 -0.2152 -0.2152 -0.0882 -0.0882 -0.0778 -0.0778 0.0457 0.0457 0.0545 0.0545 0.6896 0.6896 0.6993 0.6993 7.0194 7.0194 7.0202 7.0202 k = 0.3837 0.2520 0.2313 ( 8088 PWs) bands (ev): -15.7913 -15.7913 -15.7913 -15.7913 -15.6756 -15.6756 -15.6754 -15.6754 -13.5176 -13.5176 -13.5175 -13.5175 -13.4785 -13.4785 -13.4782 -13.4782 -3.9216 -3.9216 -3.9168 -3.9168 -3.4833 -3.4833 -3.4446 -3.4446 -3.2318 -3.2318 -3.1782 -3.1782 -2.7768 -2.7768 -2.7726 -2.7726 -2.6130 -2.6130 -2.6120 -2.6120 -2.5723 -2.5723 -2.5302 -2.5302 -2.4234 -2.4234 -2.4182 -2.4182 -1.7985 -1.7985 -1.7931 -1.7931 -1.4558 -1.4558 -1.4539 -1.4539 -1.1944 -1.1944 -1.1685 -1.1685 -1.0564 -1.0564 -1.0274 -1.0274 -0.6132 -0.6132 -0.5910 -0.5910 -0.3371 -0.3371 -0.3371 -0.3371 -0.2241 -0.2241 -0.2069 -0.2069 -0.0876 -0.0876 -0.0768 -0.0768 0.0427 0.0427 0.0513 0.0513 0.6928 0.6928 0.7024 0.7024 7.0239 7.0239 7.0247 7.0247 k = 0.3721 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.7929 -15.7929 -15.7929 -15.7929 -15.6768 -15.6768 -15.6767 -15.6767 -13.5224 -13.5224 -13.5224 -13.5224 -13.4807 -13.4807 -13.4804 -13.4804 -3.9123 -3.9123 -3.9073 -3.9073 -3.4829 -3.4829 -3.4445 -3.4445 -3.2288 -3.2288 -3.1756 -3.1756 -2.7740 -2.7740 -2.7710 -2.7710 -2.6164 -2.6164 -2.6106 -2.6106 -2.5693 -2.5693 -2.5222 -2.5222 -2.4157 -2.4157 -2.4097 -2.4097 -1.7917 -1.7917 -1.7838 -1.7838 -1.4554 -1.4554 -1.4538 -1.4538 -1.1970 -1.1970 -1.1714 -1.1714 -1.0600 -1.0600 -1.0305 -1.0305 -0.6035 -0.6035 -0.5825 -0.5825 -0.3333 -0.3333 -0.3323 -0.3323 -0.2153 -0.2153 -0.1982 -0.1982 -0.0867 -0.0867 -0.0756 -0.0756 0.0396 0.0396 0.0480 0.0480 0.6963 0.6963 0.7058 0.7058 7.0282 7.0282 7.0290 7.0290 k = 0.3605 0.2520 0.2313 ( 8088 PWs) bands (ev): -15.7947 -15.7947 -15.7946 -15.7946 -15.6782 -15.6782 -15.6781 -15.6781 -13.5275 -13.5275 -13.5275 -13.5275 -13.4831 -13.4831 -13.4828 -13.4828 -3.9027 -3.9027 -3.8974 -3.8974 -3.4825 -3.4825 -3.4445 -3.4445 -3.2256 -3.2256 -3.1729 -3.1729 -2.7705 -2.7705 -2.7693 -2.7693 -2.6206 -2.6206 -2.6098 -2.6098 -2.5658 -2.5658 -2.5148 -2.5148 -2.4061 -2.4061 -2.3996 -2.3996 -1.7845 -1.7845 -1.7741 -1.7741 -1.4558 -1.4558 -1.4508 -1.4508 -1.1992 -1.1992 -1.1742 -1.1742 -1.0638 -1.0638 -1.0337 -1.0337 -0.5935 -0.5935 -0.5738 -0.5738 -0.3291 -0.3291 -0.3271 -0.3271 -0.2065 -0.2065 -0.1894 -0.1894 -0.0856 -0.0856 -0.0740 -0.0740 0.0364 0.0364 0.0446 0.0446 0.7002 0.7002 0.7096 0.7096 7.0321 7.0321 7.0328 7.0328 k = 0.3488 0.2520 0.2313 ( 8084 PWs) bands (ev): -15.7965 -15.7965 -15.7965 -15.7965 -15.6797 -15.6797 -15.6795 -15.6795 -13.5328 -13.5328 -13.5328 -13.5328 -13.4857 -13.4857 -13.4854 -13.4854 -3.8928 -3.8928 -3.8873 -3.8873 -3.4822 -3.4822 -3.4445 -3.4445 -3.2223 -3.2223 -3.1701 -3.1701 -2.7680 -2.7680 -2.7665 -2.7665 -2.6253 -2.6253 -2.6097 -2.6097 -2.5611 -2.5611 -2.5073 -2.5073 -2.3953 -2.3953 -2.3887 -2.3887 -1.7770 -1.7770 -1.7644 -1.7644 -1.4550 -1.4550 -1.4465 -1.4465 -1.2011 -1.2011 -1.1768 -1.1768 -1.0676 -1.0676 -1.0371 -1.0371 -0.5834 -0.5834 -0.5650 -0.5650 -0.3248 -0.3248 -0.3217 -0.3217 -0.1975 -0.1975 -0.1805 -0.1805 -0.0841 -0.0841 -0.0722 -0.0722 0.0331 0.0331 0.0411 0.0411 0.7044 0.7044 0.7137 0.7137 7.0354 7.0354 7.0361 7.0361 k = 0.3372 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.7985 -15.7985 -15.7985 -15.7985 -15.6812 -15.6812 -15.6811 -15.6811 -13.5384 -13.5384 -13.5384 -13.5384 -13.4886 -13.4886 -13.4883 -13.4883 -3.8829 -3.8829 -3.8772 -3.8772 -3.4818 -3.4818 -3.4447 -3.4447 -3.2189 -3.2189 -3.1674 -3.1674 -2.7673 -2.7673 -2.7624 -2.7624 -2.6303 -2.6303 -2.6103 -2.6103 -2.5542 -2.5542 -2.4992 -2.4992 -2.3840 -2.3840 -2.3774 -2.3774 -1.7694 -1.7694 -1.7549 -1.7549 -1.4524 -1.4524 -1.4406 -1.4406 -1.2027 -1.2027 -1.1793 -1.1793 -1.0713 -1.0713 -1.0406 -1.0406 -0.5733 -0.5733 -0.5561 -0.5561 -0.3204 -0.3204 -0.3162 -0.3162 -0.1887 -0.1887 -0.1717 -0.1717 -0.0822 -0.0822 -0.0701 -0.0701 0.0298 0.0298 0.0376 0.0376 0.7089 0.7089 0.7182 0.7182 7.0380 7.0380 7.0387 7.0387 k = 0.3256 0.2520 0.2313 ( 8092 PWs) bands (ev): -15.8005 -15.8005 -15.8005 -15.8005 -15.6828 -15.6828 -15.6827 -15.6827 -13.5441 -13.5441 -13.5441 -13.5441 -13.4916 -13.4916 -13.4913 -13.4913 -3.8729 -3.8729 -3.8670 -3.8670 -3.4814 -3.4814 -3.4450 -3.4450 -3.2154 -3.2154 -3.1647 -3.1647 -2.7674 -2.7674 -2.7586 -2.7586 -2.6350 -2.6350 -2.6114 -2.6114 -2.5447 -2.5447 -2.4901 -2.4901 -2.3729 -2.3729 -2.3664 -2.3664 -1.7616 -1.7616 -1.7458 -1.7458 -1.4476 -1.4476 -1.4329 -1.4329 -1.2039 -1.2039 -1.1816 -1.1816 -1.0748 -1.0748 -1.0440 -1.0440 -0.5632 -0.5632 -0.5472 -0.5472 -0.3158 -0.3158 -0.3107 -0.3107 -0.1799 -0.1799 -0.1631 -0.1631 -0.0800 -0.0800 -0.0676 -0.0676 0.0266 0.0266 0.0343 0.0343 0.7138 0.7138 0.7229 0.7229 7.0396 7.0396 7.0403 7.0403 k = 0.3140 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.8026 -15.8026 -15.8026 -15.8026 -15.6845 -15.6845 -15.6843 -15.6843 -13.5499 -13.5499 -13.5499 -13.5499 -13.4949 -13.4949 -13.4946 -13.4946 -3.8631 -3.8631 -3.8570 -3.8570 -3.4811 -3.4811 -3.4454 -3.4454 -3.2118 -3.2118 -3.1620 -3.1620 -2.7687 -2.7687 -2.7557 -2.7557 -2.6389 -2.6389 -2.6124 -2.6124 -2.5327 -2.5327 -2.4795 -2.4795 -2.3625 -2.3625 -2.3561 -2.3561 -1.7541 -1.7541 -1.7375 -1.7375 -1.4404 -1.4404 -1.4231 -1.4231 -1.2048 -1.2048 -1.1840 -1.1840 -1.0780 -1.0780 -1.0474 -1.0474 -0.5531 -0.5531 -0.5384 -0.5384 -0.3114 -0.3114 -0.3052 -0.3052 -0.1713 -0.1713 -0.1547 -0.1547 -0.0773 -0.0773 -0.0647 -0.0647 0.0235 0.0235 0.0311 0.0311 0.7190 0.7190 0.7280 0.7280 7.0401 7.0401 7.0408 7.0408 k = 0.3023 0.2520 0.2313 ( 8092 PWs) bands (ev): -15.8048 -15.8048 -15.8048 -15.8048 -15.6862 -15.6862 -15.6861 -15.6861 -13.5559 -13.5559 -13.5558 -13.5558 -13.4982 -13.4982 -13.4979 -13.4979 -3.8534 -3.8534 -3.8471 -3.8471 -3.4809 -3.4809 -3.4460 -3.4460 -3.2082 -3.2082 -3.1594 -3.1594 -2.7710 -2.7710 -2.7540 -2.7540 -2.6413 -2.6413 -2.6130 -2.6130 -2.5180 -2.5180 -2.4674 -2.4674 -2.3531 -2.3531 -2.3467 -2.3467 -1.7467 -1.7467 -1.7301 -1.7301 -1.4303 -1.4303 -1.4111 -1.4111 -1.2053 -1.2053 -1.1864 -1.1864 -1.0806 -1.0806 -1.0506 -1.0506 -0.5432 -0.5432 -0.5297 -0.5297 -0.3070 -0.3070 -0.2999 -0.2999 -0.1630 -0.1630 -0.1465 -0.1465 -0.0743 -0.0743 -0.0615 -0.0615 0.0206 0.0206 0.0282 0.0282 0.7246 0.7246 0.7334 0.7334 7.0393 7.0393 7.0400 7.0400 k = 0.2907 0.2520 0.2313 ( 8088 PWs) bands (ev): -15.8071 -15.8071 -15.8071 -15.8071 -15.6880 -15.6880 -15.6878 -15.6878 -13.5619 -13.5619 -13.5619 -13.5619 -13.5017 -13.5017 -13.5014 -13.5014 -3.8441 -3.8441 -3.8376 -3.8376 -3.4808 -3.4808 -3.4468 -3.4468 -3.2046 -3.2046 -3.1570 -3.1570 -2.7744 -2.7744 -2.7540 -2.7540 -2.6420 -2.6420 -2.6131 -2.6131 -2.5009 -2.5009 -2.4536 -2.4536 -2.3449 -2.3449 -2.3385 -2.3385 -1.7398 -1.7398 -1.7240 -1.7240 -1.4173 -1.4173 -1.3966 -1.3966 -1.2056 -1.2056 -1.1890 -1.1890 -1.0825 -1.0825 -1.0534 -1.0534 -0.5334 -0.5334 -0.5211 -0.5211 -0.3029 -0.3029 -0.2949 -0.2949 -0.1549 -0.1549 -0.1387 -0.1387 -0.0708 -0.0708 -0.0580 -0.0580 0.0179 0.0179 0.0256 0.0256 0.7303 0.7303 0.7390 0.7390 7.0371 7.0371 7.0378 7.0378 k = 0.2791 0.2520 0.2313 ( 8084 PWs) bands (ev): -15.8094 -15.8094 -15.8093 -15.8093 -15.6898 -15.6898 -15.6896 -15.6896 -13.5679 -13.5679 -13.5679 -13.5679 -13.5054 -13.5054 -13.5050 -13.5050 -3.8351 -3.8351 -3.8284 -3.8284 -3.4808 -3.4808 -3.4477 -3.4477 -3.2010 -3.2010 -3.1546 -3.1546 -2.7786 -2.7786 -2.7557 -2.7557 -2.6408 -2.6408 -2.6126 -2.6126 -2.4817 -2.4817 -2.4384 -2.4384 -2.3378 -2.3378 -2.3316 -2.3316 -1.7335 -1.7335 -1.7191 -1.7191 -1.4014 -1.4014 -1.3799 -1.3799 -1.2056 -1.2056 -1.1917 -1.1917 -1.0836 -1.0836 -1.0559 -1.0559 -0.5239 -0.5239 -0.5126 -0.5126 -0.2991 -0.2991 -0.2903 -0.2903 -0.1470 -0.1470 -0.1312 -0.1312 -0.0668 -0.0668 -0.0541 -0.0541 0.0155 0.0155 0.0234 0.0234 0.7363 0.7363 0.7449 0.7449 7.0333 7.0333 7.0340 7.0340 k = 0.2674 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.8117 -15.8117 -15.8117 -15.8117 -15.6916 -15.6916 -15.6915 -15.6915 -13.5740 -13.5740 -13.5740 -13.5740 -13.5091 -13.5091 -13.5087 -13.5087 -3.8266 -3.8266 -3.8197 -3.8197 -3.4809 -3.4809 -3.4489 -3.4489 -3.1975 -3.1975 -3.1524 -3.1524 -2.7834 -2.7834 -2.7589 -2.7589 -2.6378 -2.6378 -2.6114 -2.6114 -2.4609 -2.4609 -2.4222 -2.4222 -2.3316 -2.3316 -2.3258 -2.3258 -1.7278 -1.7278 -1.7155 -1.7155 -1.3828 -1.3828 -1.3611 -1.3611 -1.2052 -1.2052 -1.1945 -1.1945 -1.0836 -1.0836 -1.0578 -1.0578 -0.5146 -0.5146 -0.5044 -0.5044 -0.2958 -0.2958 -0.2863 -0.2863 -0.1393 -0.1393 -0.1239 -0.1239 -0.0625 -0.0625 -0.0500 -0.0500 0.0134 0.0134 0.0216 0.0216 0.7426 0.7426 0.7509 0.7509 7.0278 7.0278 7.0286 7.0286 k = 0.2558 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.8140 -15.8140 -15.8140 -15.8140 -15.6934 -15.6934 -15.6933 -15.6933 -13.5801 -13.5801 -13.5801 -13.5801 -13.5128 -13.5128 -13.5125 -13.5125 -3.8186 -3.8186 -3.8115 -3.8115 -3.4813 -3.4813 -3.4504 -3.4504 -3.1939 -3.1939 -3.1503 -3.1503 -2.7885 -2.7885 -2.7633 -2.7633 -2.6334 -2.6334 -2.6096 -2.6096 -2.4391 -2.4391 -2.4058 -2.4058 -2.3254 -2.3254 -2.3208 -2.3208 -1.7229 -1.7229 -1.7131 -1.7131 -1.3623 -1.3623 -1.3407 -1.3407 -1.2040 -1.2040 -1.1968 -1.1968 -1.0827 -1.0827 -1.0591 -1.0591 -0.5055 -0.5055 -0.4964 -0.4964 -0.2930 -0.2930 -0.2830 -0.2830 -0.1318 -0.1318 -0.1169 -0.1169 -0.0579 -0.0579 -0.0457 -0.0457 0.0116 0.0116 0.0204 0.0204 0.7489 0.7489 0.7571 0.7571 7.0206 7.0206 7.0214 7.0214 k = 0.2442 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.8164 -15.8164 -15.8164 -15.8164 -15.6953 -15.6953 -15.6951 -15.6951 -13.5862 -13.5862 -13.5862 -13.5862 -13.5166 -13.5166 -13.5163 -13.5163 -3.8111 -3.8111 -3.8039 -3.8039 -3.4818 -3.4818 -3.4520 -3.4520 -3.1905 -3.1905 -3.1483 -3.1483 -2.7936 -2.7936 -2.7684 -2.7684 -2.6279 -2.6279 -2.6072 -2.6072 -2.4174 -2.4174 -2.3911 -2.3911 -2.3176 -2.3176 -2.3157 -2.3157 -1.7186 -1.7186 -1.7117 -1.7117 -1.3407 -1.3407 -1.3198 -1.3198 -1.2016 -1.2016 -1.1980 -1.1980 -1.0806 -1.0806 -1.0597 -1.0597 -0.4968 -0.4968 -0.4886 -0.4886 -0.2911 -0.2911 -0.2805 -0.2805 -0.1244 -0.1244 -0.1101 -0.1101 -0.0529 -0.0529 -0.0413 -0.0413 0.0102 0.0102 0.0198 0.0198 0.7554 0.7554 0.7635 0.7635 7.0116 7.0116 7.0124 7.0124 k = 0.2326 0.2520 0.2313 ( 8108 PWs) bands (ev): -15.8187 -15.8187 -15.8187 -15.8187 -15.6971 -15.6971 -15.6970 -15.6970 -13.5921 -13.5921 -13.5921 -13.5921 -13.5204 -13.5204 -13.5201 -13.5201 -3.8041 -3.8041 -3.7968 -3.7968 -3.4826 -3.4826 -3.4539 -3.4539 -3.1870 -3.1870 -3.1465 -3.1465 -2.7985 -2.7985 -2.7738 -2.7738 -2.6216 -2.6216 -2.6043 -2.6043 -2.3979 -2.3979 -2.3803 -2.3803 -2.3087 -2.3087 -2.3060 -2.3060 -1.7151 -1.7151 -1.7111 -1.7111 -1.3195 -1.3195 -1.3002 -1.3002 -1.1970 -1.1970 -1.1964 -1.1964 -1.0775 -1.0775 -1.0595 -1.0595 -0.4883 -0.4883 -0.4811 -0.4811 -0.2899 -0.2899 -0.2789 -0.2789 -0.1171 -0.1171 -0.1033 -0.1033 -0.0476 -0.0476 -0.0367 -0.0367 0.0092 0.0092 0.0198 0.0198 0.7620 0.7620 0.7699 0.7699 7.0008 7.0008 7.0016 7.0016 k = 0.2209 0.2520 0.2313 ( 8104 PWs) bands (ev): -15.8210 -15.8210 -15.8210 -15.8210 -15.6989 -15.6989 -15.6988 -15.6988 -13.5980 -13.5980 -13.5980 -13.5980 -13.5242 -13.5242 -13.5239 -13.5239 -3.7977 -3.7977 -3.7902 -3.7902 -3.4835 -3.4835 -3.4560 -3.4560 -3.1837 -3.1837 -3.1448 -3.1448 -2.8030 -2.8030 -2.7791 -2.7791 -2.6147 -2.6147 -2.6009 -2.6009 -2.3832 -2.3832 -2.3750 -2.3750 -2.2973 -2.2973 -2.2891 -2.2891 -1.7122 -1.7122 -1.7113 -1.7113 -1.3007 -1.3007 -1.2846 -1.2846 -1.1895 -1.1895 -1.1885 -1.1885 -1.0734 -1.0734 -1.0583 -1.0583 -0.4802 -0.4802 -0.4739 -0.4739 -0.2897 -0.2897 -0.2783 -0.2783 -0.1099 -0.1099 -0.0967 -0.0967 -0.0420 -0.0420 -0.0322 -0.0322 0.0086 0.0086 0.0206 0.0206 0.7687 0.7687 0.7764 0.7764 6.9883 6.9883 6.9891 6.9891 k = 0.2093 0.2520 0.2313 ( 8112 PWs) bands (ev): -15.8233 -15.8233 -15.8233 -15.8233 -15.7007 -15.7007 -15.7006 -15.7006 -13.6038 -13.6038 -13.6038 -13.6038 -13.5279 -13.5279 -13.5276 -13.5276 -3.7919 -3.7919 -3.7843 -3.7843 -3.4847 -3.4847 -3.4583 -3.4583 -3.1804 -3.1804 -3.1433 -3.1433 -2.8069 -2.8069 -2.7842 -2.7842 -2.6076 -2.6076 -2.5972 -2.5972 -2.3755 -2.3755 -2.3747 -2.3747 -2.2796 -2.2796 -2.2677 -2.2677 -1.7121 -1.7121 -1.7100 -1.7100 -1.2865 -1.2865 -1.2758 -1.2758 -1.1751 -1.1751 -1.1743 -1.1743 -1.0681 -1.0681 -1.0563 -1.0563 -0.4725 -0.4725 -0.4670 -0.4670 -0.2905 -0.2905 -0.2786 -0.2786 -0.1028 -0.1028 -0.0901 -0.0901 -0.0362 -0.0362 -0.0278 -0.0278 0.0085 0.0085 0.0221 0.0221 0.7753 0.7753 0.7829 0.7829 6.9741 6.9741 6.9749 6.9749 k = 0.1977 0.2520 0.2313 ( 8112 PWs) bands (ev): -15.8255 -15.8255 -15.8255 -15.8255 -15.7025 -15.7025 -15.7023 -15.7023 -13.6094 -13.6094 -13.6094 -13.6094 -13.5316 -13.5316 -13.5313 -13.5313 -3.7867 -3.7867 -3.7789 -3.7789 -3.4862 -3.4862 -3.4608 -3.4608 -3.1772 -3.1772 -3.1419 -3.1419 -2.8102 -2.8102 -2.7887 -2.7887 -2.6002 -2.6002 -2.5930 -2.5930 -2.3781 -2.3781 -2.3740 -2.3740 -2.2565 -2.2565 -2.2431 -2.2431 -1.7133 -1.7133 -1.7084 -1.7084 -1.2779 -1.2779 -1.2734 -1.2734 -1.1541 -1.1541 -1.1538 -1.1538 -1.0615 -1.0615 -1.0532 -1.0532 -0.4652 -0.4652 -0.4605 -0.4605 -0.2922 -0.2922 -0.2800 -0.2800 -0.0958 -0.0958 -0.0837 -0.0837 -0.0304 -0.0304 -0.0237 -0.0237 0.0091 0.0091 0.0246 0.0246 0.7819 0.7819 0.7894 0.7894 6.9584 6.9584 6.9592 6.9592 k = 0.1860 0.2520 0.2313 ( 8116 PWs) bands (ev): -15.8277 -15.8277 -15.8277 -15.8277 -15.7042 -15.7042 -15.7040 -15.7040 -13.6148 -13.6148 -13.6148 -13.6148 -13.5353 -13.5353 -13.5349 -13.5349 -3.7820 -3.7820 -3.7741 -3.7741 -3.4878 -3.4878 -3.4634 -3.4634 -3.1742 -3.1742 -3.1407 -3.1407 -2.8126 -2.8126 -2.7926 -2.7926 -2.5927 -2.5927 -2.5886 -2.5886 -2.3839 -2.3839 -2.3769 -2.3769 -2.2299 -2.2299 -2.2168 -2.2168 -1.7150 -1.7150 -1.7073 -1.7073 -1.2752 -1.2752 -1.2740 -1.2740 -1.1294 -1.1294 -1.1288 -1.1288 -1.0530 -1.0530 -1.0486 -1.0486 -0.4584 -0.4584 -0.4545 -0.4545 -0.2950 -0.2950 -0.2823 -0.2823 -0.0892 -0.0892 -0.0774 -0.0774 -0.0247 -0.0247 -0.0199 -0.0199 0.0105 0.0105 0.0281 0.0281 0.7884 0.7884 0.7958 0.7958 6.9413 6.9413 6.9422 6.9422 k = 0.1744 0.2520 0.2313 ( 8128 PWs) bands (ev): -15.8299 -15.8299 -15.8298 -15.8298 -15.7059 -15.7059 -15.7057 -15.7057 -13.6200 -13.6200 -13.6200 -13.6200 -13.5388 -13.5388 -13.5385 -13.5385 -3.7779 -3.7779 -3.7698 -3.7698 -3.4896 -3.4896 -3.4661 -3.4661 -3.1713 -3.1713 -3.1395 -3.1395 -2.8143 -2.8143 -2.7958 -2.7958 -2.5852 -2.5852 -2.5839 -2.5839 -2.3915 -2.3915 -2.3827 -2.3827 -2.2015 -2.2015 -2.1895 -2.1895 -1.7169 -1.7169 -1.7066 -1.7066 -1.2794 -1.2794 -1.2733 -1.2733 -1.1037 -1.1037 -1.1029 -1.1029 -1.0417 -1.0417 -1.0412 -1.0412 -0.4523 -0.4523 -0.4491 -0.4491 -0.2987 -0.2987 -0.2856 -0.2856 -0.0828 -0.0828 -0.0713 -0.0713 -0.0197 -0.0197 -0.0166 -0.0166 0.0132 0.0132 0.0328 0.0328 0.7948 0.7948 0.8020 0.8020 6.9231 6.9231 6.9240 6.9240 k = 0.1628 0.2520 0.2313 ( 8116 PWs) bands (ev): -15.8319 -15.8319 -15.8319 -15.8319 -15.7074 -15.7074 -15.7073 -15.7073 -13.6250 -13.6250 -13.6250 -13.6250 -13.5422 -13.5422 -13.5419 -13.5419 -3.7743 -3.7743 -3.7661 -3.7661 -3.4916 -3.4916 -3.4689 -3.4689 -3.1685 -3.1685 -3.1385 -3.1385 -2.8151 -2.8151 -2.7982 -2.7982 -2.5791 -2.5791 -2.5776 -2.5776 -2.4003 -2.4003 -2.3903 -2.3903 -2.1723 -2.1723 -2.1618 -2.1618 -1.7192 -1.7192 -1.7064 -1.7064 -1.2847 -1.2847 -1.2745 -1.2745 -1.0823 -1.0823 -1.0789 -1.0789 -1.0297 -1.0297 -1.0239 -1.0239 -0.4469 -0.4469 -0.4445 -0.4445 -0.3033 -0.3033 -0.2895 -0.2895 -0.0768 -0.0768 -0.0655 -0.0655 -0.0157 -0.0157 -0.0139 -0.0139 0.0175 0.0175 0.0387 0.0387 0.8009 0.8009 0.8081 0.8081 6.9040 6.9040 6.9049 6.9049 k = 0.1512 0.2520 0.2313 ( 8112 PWs) bands (ev): -15.8338 -15.8338 -15.8338 -15.8338 -15.7090 -15.7090 -15.7088 -15.7088 -13.6298 -13.6298 -13.6298 -13.6298 -13.5454 -13.5454 -13.5451 -13.5451 -3.7711 -3.7711 -3.7628 -3.7628 -3.4936 -3.4936 -3.4718 -3.4718 -3.1658 -3.1658 -3.1376 -3.1376 -2.8150 -2.8150 -2.7997 -2.7997 -2.5741 -2.5741 -2.5703 -2.5703 -2.4101 -2.4101 -2.3992 -2.3992 -2.1431 -2.1431 -2.1343 -2.1343 -1.7217 -1.7217 -1.7066 -1.7066 -1.2906 -1.2906 -1.2770 -1.2770 -1.0667 -1.0667 -1.0621 -1.0621 -1.0089 -1.0089 -0.9996 -0.9996 -0.4426 -0.4426 -0.4407 -0.4407 -0.3084 -0.3084 -0.2940 -0.2940 -0.0713 -0.0713 -0.0600 -0.0600 -0.0130 -0.0130 -0.0118 -0.0118 0.0236 0.0236 0.0456 0.0456 0.8069 0.8069 0.8140 0.8140 6.8843 6.8843 6.8852 6.8852 k = 0.1395 0.2520 0.2313 ( 8128 PWs) bands (ev): -15.8357 -15.8357 -15.8357 -15.8357 -15.7104 -15.7104 -15.7103 -15.7103 -13.6343 -13.6343 -13.6343 -13.6343 -13.5485 -13.5485 -13.5482 -13.5482 -3.7685 -3.7685 -3.7600 -3.7600 -3.4958 -3.4958 -3.4746 -3.4746 -3.1634 -3.1634 -3.1368 -3.1368 -2.8142 -2.8142 -2.8006 -2.8006 -2.5691 -2.5691 -2.5630 -2.5630 -2.4205 -2.4205 -2.4091 -2.4091 -2.1144 -2.1144 -2.1074 -2.1074 -1.7245 -1.7245 -1.7071 -1.7071 -1.2966 -1.2966 -1.2801 -1.2801 -1.0557 -1.0557 -1.0521 -1.0521 -0.9805 -0.9805 -0.9704 -0.9704 -0.4397 -0.4397 -0.4383 -0.4382 -0.3137 -0.3137 -0.2988 -0.2988 -0.0663 -0.0663 -0.0550 -0.0550 -0.0115 -0.0115 -0.0102 -0.0102 0.0312 0.0312 0.0534 0.0534 0.8126 0.8126 0.8197 0.8197 6.8642 6.8642 6.8651 6.8651 k = 0.1279 0.2520 0.2313 ( 8112 PWs) bands (ev): -15.8374 -15.8374 -15.8374 -15.8374 -15.7118 -15.7118 -15.7116 -15.7116 -13.6385 -13.6385 -13.6385 -13.6385 -13.5514 -13.5514 -13.5511 -13.5511 -3.7662 -3.7662 -3.7576 -3.7576 -3.4979 -3.4979 -3.4773 -3.4773 -3.1611 -3.1611 -3.1361 -3.1361 -2.8126 -2.8126 -2.8006 -2.8006 -2.5641 -2.5641 -2.5560 -2.5560 -2.4312 -2.4312 -2.4195 -2.4195 -2.0865 -2.0865 -2.0814 -2.0814 -1.7274 -1.7274 -1.7079 -1.7079 -1.3025 -1.3025 -1.2835 -1.2835 -1.0472 -1.0472 -1.0452 -1.0452 -0.9487 -0.9487 -0.9388 -0.9388 -0.4385 -0.4385 -0.4373 -0.4373 -0.3190 -0.3190 -0.3035 -0.3035 -0.0617 -0.0617 -0.0505 -0.0505 -0.0108 -0.0108 -0.0090 -0.0090 0.0398 0.0398 0.0619 0.0619 0.8180 0.8180 0.8251 0.8251 6.8442 6.8442 6.8451 6.8451 k = 0.1163 0.2520 0.2313 ( 8116 PWs) bands (ev): -15.8391 -15.8391 -15.8390 -15.8390 -15.7131 -15.7131 -15.7129 -15.7129 -13.6424 -13.6424 -13.6424 -13.6424 -13.5541 -13.5541 -13.5538 -13.5538 -3.7643 -3.7643 -3.7556 -3.7556 -3.5001 -3.5001 -3.4800 -3.4800 -3.1590 -3.1590 -3.1356 -3.1356 -2.8104 -2.8104 -2.7999 -2.7999 -2.5592 -2.5592 -2.5494 -2.5494 -2.4421 -2.4421 -2.4303 -2.4303 -2.0598 -2.0598 -2.0566 -2.0566 -1.7304 -1.7304 -1.7090 -1.7090 -1.3081 -1.3081 -1.2870 -1.2870 -1.0400 -1.0400 -1.0397 -1.0397 -0.9156 -0.9156 -0.9062 -0.9062 -0.4395 -0.4395 -0.4383 -0.4383 -0.3237 -0.3237 -0.3079 -0.3079 -0.0576 -0.0576 -0.0465 -0.0465 -0.0107 -0.0107 -0.0081 -0.0081 0.0490 0.0490 0.0708 0.0708 0.8231 0.8231 0.8301 0.8301 6.8244 6.8244 6.8253 6.8253 k = 0.1047 0.2520 0.2313 ( 8108 PWs) bands (ev): -15.8406 -15.8406 -15.8405 -15.8405 -15.7142 -15.7142 -15.7141 -15.7141 -13.6460 -13.6460 -13.6460 -13.6460 -13.5566 -13.5566 -13.5563 -13.5563 -3.7627 -3.7627 -3.7539 -3.7539 -3.5022 -3.5022 -3.4825 -3.4825 -3.1572 -3.1572 -3.1350 -3.1350 -2.8076 -2.8076 -2.7986 -2.7986 -2.5544 -2.5544 -2.5430 -2.5430 -2.4530 -2.4530 -2.4412 -2.4412 -2.0345 -2.0345 -2.0334 -2.0334 -1.7336 -1.7336 -1.7102 -1.7102 -1.3134 -1.3134 -1.2904 -1.2904 -1.0350 -1.0350 -1.0337 -1.0337 -0.8823 -0.8823 -0.8734 -0.8734 -0.4432 -0.4432 -0.4416 -0.4416 -0.3274 -0.3274 -0.3115 -0.3115 -0.0540 -0.0540 -0.0430 -0.0430 -0.0110 -0.0110 -0.0075 -0.0075 0.0584 0.0584 0.0799 0.0800 0.8278 0.8278 0.8348 0.8348 6.8053 6.8053 6.8062 6.8062 k = 0.0930 0.2520 0.2313 ( 8104 PWs) bands (ev): -15.8419 -15.8419 -15.8419 -15.8419 -15.7153 -15.7153 -15.7151 -15.7151 -13.6493 -13.6493 -13.6493 -13.6493 -13.5589 -13.5589 -13.5586 -13.5586 -3.7615 -3.7615 -3.7525 -3.7525 -3.5042 -3.5042 -3.4849 -3.4849 -3.1555 -3.1555 -3.1346 -3.1346 -2.8044 -2.8044 -2.7968 -2.7968 -2.5497 -2.5497 -2.5372 -2.5372 -2.4635 -2.4635 -2.4519 -2.4519 -2.0119 -2.0119 -2.0110 -2.0110 -1.7369 -1.7369 -1.7116 -1.7116 -1.3182 -1.3182 -1.2937 -1.2937 -1.0308 -1.0308 -1.0282 -1.0282 -0.8491 -0.8491 -0.8410 -0.8410 -0.4499 -0.4499 -0.4474 -0.4474 -0.3299 -0.3299 -0.3141 -0.3141 -0.0508 -0.0508 -0.0400 -0.0400 -0.0115 -0.0115 -0.0070 -0.0070 0.0677 0.0677 0.0890 0.0890 0.8321 0.8321 0.8392 0.8392 6.7872 6.7872 6.7881 6.7881 k = 0.0814 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.8431 -15.8431 -15.8431 -15.8431 -15.7162 -15.7162 -15.7161 -15.7161 -13.6522 -13.6522 -13.6522 -13.6522 -13.5610 -13.5610 -13.5606 -13.5606 -3.7605 -3.7605 -3.7514 -3.7514 -3.5061 -3.5061 -3.4870 -3.4870 -3.1540 -3.1540 -3.1342 -3.1342 -2.8009 -2.8009 -2.7945 -2.7945 -2.5453 -2.5453 -2.5318 -2.5318 -2.4735 -2.4735 -2.4624 -2.4624 -1.9925 -1.9925 -1.9895 -1.9895 -1.7402 -1.7402 -1.7130 -1.7130 -1.3224 -1.3224 -1.2967 -1.2967 -1.0270 -1.0270 -1.0232 -1.0232 -0.8165 -0.8165 -0.8092 -0.8092 -0.4595 -0.4595 -0.4559 -0.4558 -0.3312 -0.3312 -0.3157 -0.3157 -0.0480 -0.0480 -0.0376 -0.0376 -0.0121 -0.0121 -0.0066 -0.0066 0.0765 0.0765 0.0976 0.0976 0.8360 0.8360 0.8431 0.8431 6.7703 6.7703 6.7712 6.7712 k = 0.0698 0.2520 0.2313 ( 8104 PWs) bands (ev): -15.8442 -15.8442 -15.8442 -15.8442 -15.7171 -15.7171 -15.7169 -15.7169 -13.6547 -13.6547 -13.6547 -13.6547 -13.5628 -13.5628 -13.5624 -13.5624 -3.7598 -3.7598 -3.7505 -3.7505 -3.5078 -3.5078 -3.4889 -3.4889 -3.1528 -3.1528 -3.1340 -3.1340 -2.7974 -2.7974 -2.7921 -2.7921 -2.5411 -2.5411 -2.5271 -2.5271 -2.4828 -2.4828 -2.4723 -2.4723 -1.9753 -1.9753 -1.9702 -1.9702 -1.7435 -1.7435 -1.7144 -1.7144 -1.3261 -1.3261 -1.2993 -1.2993 -1.0237 -1.0237 -1.0189 -1.0189 -0.7847 -0.7847 -0.7784 -0.7784 -0.4719 -0.4719 -0.4667 -0.4667 -0.3314 -0.3314 -0.3163 -0.3163 -0.0457 -0.0457 -0.0357 -0.0357 -0.0127 -0.0127 -0.0063 -0.0063 0.0847 0.0847 0.1057 0.1057 0.8394 0.8394 0.8465 0.8465 6.7551 6.7551 6.7560 6.7560 k = 0.0581 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.8451 -15.8451 -15.8451 -15.8451 -15.7178 -15.7178 -15.7176 -15.7176 -13.6569 -13.6569 -13.6569 -13.6569 -13.5643 -13.5643 -13.5640 -13.5640 -3.7592 -3.7592 -3.7499 -3.7499 -3.5092 -3.5092 -3.4906 -3.4906 -3.1517 -3.1517 -3.1337 -3.1337 -2.7939 -2.7939 -2.7896 -2.7896 -2.5371 -2.5371 -2.5230 -2.5230 -2.4911 -2.4911 -2.4815 -2.4815 -1.9604 -1.9604 -1.9533 -1.9533 -1.7466 -1.7466 -1.7158 -1.7158 -1.3292 -1.3292 -1.3016 -1.3016 -1.0209 -1.0209 -1.0152 -1.0152 -0.7540 -0.7540 -0.7488 -0.7488 -0.4866 -0.4866 -0.4798 -0.4798 -0.3309 -0.3309 -0.3163 -0.3163 -0.0439 -0.0439 -0.0342 -0.0342 -0.0134 -0.0134 -0.0059 -0.0059 0.0920 0.0920 0.1129 0.1129 0.8424 0.8424 0.8495 0.8495 6.7417 6.7417 6.7426 6.7426 k = 0.0465 0.2520 0.2313 ( 8092 PWs) bands (ev): -15.8459 -15.8459 -15.8459 -15.8459 -15.7184 -15.7184 -15.7182 -15.7182 -13.6587 -13.6587 -13.6587 -13.6587 -13.5656 -13.5656 -13.5652 -13.5652 -3.7587 -3.7587 -3.7493 -3.7493 -3.5105 -3.5105 -3.4920 -3.4920 -3.1509 -3.1509 -3.1335 -3.1335 -2.7907 -2.7907 -2.7872 -2.7872 -2.5333 -2.5333 -2.5198 -2.5198 -2.4981 -2.4981 -2.4900 -2.4900 -1.9480 -1.9480 -1.9391 -1.9391 -1.7495 -1.7495 -1.7170 -1.7170 -1.3317 -1.3317 -1.3035 -1.3035 -1.0185 -1.0185 -1.0122 -1.0122 -0.7246 -0.7246 -0.7208 -0.7208 -0.5031 -0.5031 -0.4944 -0.4944 -0.3300 -0.3300 -0.3158 -0.3158 -0.0424 -0.0424 -0.0332 -0.0332 -0.0140 -0.0140 -0.0056 -0.0056 0.0982 0.0982 0.1191 0.1191 0.8448 0.8448 0.8520 0.8520 6.7304 6.7304 6.7313 6.7313 k = 0.0349 0.2520 0.2313 ( 8096 PWs) bands (ev): -15.8465 -15.8465 -15.8465 -15.8465 -15.7188 -15.7188 -15.7187 -15.7187 -13.6601 -13.6601 -13.6601 -13.6601 -13.5665 -13.5665 -13.5662 -13.5662 -3.7584 -3.7584 -3.7490 -3.7490 -3.5115 -3.5115 -3.4931 -3.4931 -3.1502 -3.1502 -3.1334 -3.1334 -2.7879 -2.7879 -2.7851 -2.7851 -2.5297 -2.5297 -2.5176 -2.5176 -2.5035 -2.5035 -2.4974 -2.4974 -1.9383 -1.9383 -1.9276 -1.9276 -1.7520 -1.7520 -1.7181 -1.7181 -1.3337 -1.3337 -1.3050 -1.3050 -1.0166 -1.0166 -1.0098 -1.0098 -0.6971 -0.6971 -0.6951 -0.6951 -0.5208 -0.5208 -0.5098 -0.5098 -0.3290 -0.3290 -0.3151 -0.3151 -0.0413 -0.0413 -0.0325 -0.0325 -0.0144 -0.0144 -0.0053 -0.0053 0.1032 0.1032 0.1241 0.1241 0.8468 0.8468 0.8539 0.8539 6.7214 6.7214 6.7223 6.7223 k = 0.0233 0.2520 0.2313 ( 8100 PWs) bands (ev): -15.8469 -15.8469 -15.8469 -15.8469 -15.7192 -15.7192 -15.7190 -15.7190 -13.6611 -13.6611 -13.6611 -13.6611 -13.5673 -13.5673 -13.5669 -13.5669 -3.7582 -3.7582 -3.7487 -3.7487 -3.5122 -3.5122 -3.4938 -3.4938 -3.1498 -3.1498 -3.1333 -3.1333 -2.7858 -2.7858 -2.7834 -2.7834 -2.5263 -2.5263 -2.5166 -2.5166 -2.5068 -2.5068 -2.5037 -2.5037 -1.9313 -1.9313 -1.9193 -1.9193 -1.7540 -1.7540 -1.7189 -1.7189 -1.3351 -1.3351 -1.3061 -1.3061 -1.0153 -1.0153 -1.0081 -1.0081 -0.6730 -0.6730 -0.6725 -0.6725 -0.5385 -0.5385 -0.5247 -0.5247 -0.3282 -0.3282 -0.3144 -0.3144 -0.0405 -0.0405 -0.0320 -0.0320 -0.0148 -0.0148 -0.0051 -0.0051 0.1069 0.1069 0.1278 0.1278 0.8481 0.8481 0.8553 0.8553 6.7148 6.7148 6.7157 6.7157 k = 0.0116 0.2520 0.2313 ( 8124 PWs) bands (ev): -15.8471 -15.8471 -15.8471 -15.8471 -15.7194 -15.7194 -15.7192 -15.7192 -13.6617 -13.6617 -13.6617 -13.6617 -13.5677 -13.5677 -13.5674 -13.5674 -3.7581 -3.7581 -3.7486 -3.7486 -3.5126 -3.5126 -3.4943 -3.4943 -3.1495 -3.1495 -3.1333 -3.1333 -2.7845 -2.7845 -2.7824 -2.7824 -2.5233 -2.5233 -2.5167 -2.5167 -2.5085 -2.5085 -2.5082 -2.5082 -1.9271 -1.9271 -1.9142 -1.9142 -1.7553 -1.7553 -1.7194 -1.7194 -1.3359 -1.3359 -1.3067 -1.3067 -1.0145 -1.0145 -1.0071 -1.0071 -0.6569 -0.6569 -0.6533 -0.6533 -0.5535 -0.5535 -0.5366 -0.5366 -0.3276 -0.3276 -0.3140 -0.3140 -0.0401 -0.0401 -0.0318 -0.0318 -0.0150 -0.0150 -0.0050 -0.0050 0.1092 0.1092 0.1300 0.1300 0.8490 0.8490 0.8562 0.8562 6.7108 6.7108 6.7117 6.7117 k = 0.0000 0.2520 0.2313 ( 8132 PWs) bands (ev): -15.8472 -15.8472 -15.8472 -15.8472 -15.7194 -15.7194 -15.7193 -15.7193 -13.6619 -13.6619 -13.6619 -13.6619 -13.5678 -13.5678 -13.5675 -13.5675 -3.7581 -3.7581 -3.7485 -3.7485 -3.5128 -3.5128 -3.4945 -3.4945 -3.1495 -3.1495 -3.1333 -3.1333 -2.7841 -2.7841 -2.7821 -2.7821 -2.5218 -2.5218 -2.5170 -2.5170 -2.5106 -2.5106 -2.5085 -2.5085 -1.9256 -1.9256 -1.9125 -1.9125 -1.7557 -1.7557 -1.7195 -1.7195 -1.3362 -1.3362 -1.3069 -1.3069 -1.0142 -1.0142 -1.0067 -1.0067 -0.6506 -0.6506 -0.6454 -0.6454 -0.5600 -0.5600 -0.5414 -0.5414 -0.3274 -0.3274 -0.3139 -0.3139 -0.0399 -0.0399 -0.0317 -0.0317 -0.0150 -0.0150 -0.0049 -0.0049 0.1099 0.1099 0.1308 0.1308 0.8492 0.8492 0.8565 0.8565 6.7095 6.7095 6.7104 6.7104 k = 0.0000 0.2520 0.2313 ( 8132 PWs) bands (ev): -15.8472 -15.8472 -15.8472 -15.8472 -15.7194 -15.7194 -15.7193 -15.7193 -13.6619 -13.6619 -13.6619 -13.6619 -13.5678 -13.5678 -13.5675 -13.5675 -3.7581 -3.7581 -3.7485 -3.7485 -3.5128 -3.5128 -3.4945 -3.4945 -3.1495 -3.1495 -3.1333 -3.1333 -2.7841 -2.7841 -2.7821 -2.7821 -2.5218 -2.5218 -2.5170 -2.5170 -2.5106 -2.5106 -2.5085 -2.5085 -1.9256 -1.9256 -1.9125 -1.9125 -1.7557 -1.7557 -1.7195 -1.7195 -1.3362 -1.3362 -1.3069 -1.3069 -1.0142 -1.0142 -1.0067 -1.0067 -0.6506 -0.6506 -0.6454 -0.6454 -0.5600 -0.5600 -0.5414 -0.5414 -0.3274 -0.3274 -0.3139 -0.3139 -0.0399 -0.0399 -0.0317 -0.0317 -0.0150 -0.0150 -0.0049 -0.0049 0.1099 0.1099 0.1308 0.1308 0.8492 0.8492 0.8565 0.8565 6.7095 6.7095 6.7104 6.7104 k = 0.0000 0.2406 0.2313 ( 8116 PWs) bands (ev): -15.8473 -15.8473 -15.8473 -15.8473 -15.7194 -15.7194 -15.7192 -15.7192 -13.6620 -13.6620 -13.6620 -13.6620 -13.5677 -13.5677 -13.5673 -13.5673 -3.7590 -3.7590 -3.7495 -3.7495 -3.5128 -3.5128 -3.4945 -3.4945 -3.1499 -3.1499 -3.1337 -3.1337 -2.7844 -2.7844 -2.7824 -2.7824 -2.5225 -2.5225 -2.5140 -2.5140 -2.5112 -2.5112 -2.5056 -2.5056 -1.9257 -1.9257 -1.9126 -1.9126 -1.7556 -1.7556 -1.7195 -1.7195 -1.3361 -1.3361 -1.3072 -1.3072 -1.0137 -1.0137 -1.0059 -1.0059 -0.6540 -0.6540 -0.6493 -0.6493 -0.5565 -0.5565 -0.5376 -0.5376 -0.3273 -0.3273 -0.3137 -0.3137 -0.0398 -0.0398 -0.0317 -0.0317 -0.0154 -0.0154 -0.0053 -0.0053 0.1100 0.1100 0.1308 0.1308 0.8485 0.8485 0.8557 0.8557 6.7070 6.7070 6.7079 6.7079 k = 0.0000 0.2291 0.2313 ( 8112 PWs) bands (ev): -15.8475 -15.8475 -15.8475 -15.8475 -15.7191 -15.7191 -15.7190 -15.7190 -13.6625 -13.6625 -13.6625 -13.6625 -13.5671 -13.5671 -13.5668 -13.5668 -3.7619 -3.7619 -3.7525 -3.7525 -3.5129 -3.5129 -3.4945 -3.4945 -3.1512 -3.1512 -3.1349 -3.1349 -2.7854 -2.7854 -2.7836 -2.7836 -2.5232 -2.5232 -2.5117 -2.5117 -2.5065 -2.5065 -2.4983 -2.4983 -1.9259 -1.9259 -1.9132 -1.9132 -1.7553 -1.7553 -1.7193 -1.7193 -1.3361 -1.3361 -1.3079 -1.3079 -1.0122 -1.0122 -1.0033 -1.0033 -0.6629 -0.6629 -0.6594 -0.6594 -0.5471 -0.5471 -0.5276 -0.5276 -0.3269 -0.3269 -0.3132 -0.3132 -0.0396 -0.0396 -0.0315 -0.0315 -0.0164 -0.0164 -0.0064 -0.0064 0.1100 0.1100 0.1308 0.1308 0.8461 0.8461 0.8533 0.8533 6.6996 6.6996 6.7004 6.7004 k = 0.0000 0.2177 0.2313 ( 8108 PWs) bands (ev): -15.8479 -15.8479 -15.8479 -15.8479 -15.7187 -15.7187 -15.7186 -15.7186 -13.6633 -13.6633 -13.6633 -13.6633 -13.5663 -13.5663 -13.5660 -13.5660 -3.7666 -3.7666 -3.7573 -3.7573 -3.5130 -3.5130 -3.4945 -3.4945 -3.1533 -3.1533 -3.1369 -3.1369 -2.7870 -2.7870 -2.7854 -2.7854 -2.5236 -2.5236 -2.5120 -2.5120 -2.4952 -2.4952 -2.4870 -2.4870 -1.9263 -1.9263 -1.9140 -1.9140 -1.7549 -1.7549 -1.7191 -1.7191 -1.3359 -1.3359 -1.3089 -1.3089 -1.0098 -1.0098 -0.9992 -0.9992 -0.6748 -0.6748 -0.6732 -0.6732 -0.5344 -0.5344 -0.5138 -0.5138 -0.3262 -0.3262 -0.3123 -0.3123 -0.0392 -0.0392 -0.0314 -0.0314 -0.0180 -0.0180 -0.0081 -0.0081 0.1101 0.1101 0.1308 0.1308 0.8422 0.8422 0.8493 0.8493 6.6875 6.6875 6.6883 6.6883 k = 0.0000 0.2062 0.2313 ( 8110 PWs) bands (ev): -15.8485 -15.8485 -15.8484 -15.8484 -15.7182 -15.7182 -15.7180 -15.7180 -13.6643 -13.6643 -13.6643 -13.6643 -13.5652 -13.5652 -13.5649 -13.5649 -3.7730 -3.7730 -3.7638 -3.7638 -3.5131 -3.5131 -3.4945 -3.4945 -3.1562 -3.1562 -3.1396 -3.1396 -2.7889 -2.7889 -2.7876 -2.7876 -2.5238 -2.5238 -2.5124 -2.5124 -2.4801 -2.4801 -2.4719 -2.4719 -1.9267 -1.9267 -1.9151 -1.9151 -1.7544 -1.7544 -1.7190 -1.7190 -1.3356 -1.3356 -1.3103 -1.3103 -1.0065 -1.0065 -0.9937 -0.9937 -0.6889 -0.6889 -0.6880 -0.6880 -0.5199 -0.5199 -0.4983 -0.4983 -0.3251 -0.3251 -0.3110 -0.3110 -0.0388 -0.0388 -0.0315 -0.0315 -0.0199 -0.0199 -0.0104 -0.0104 0.1102 0.1102 0.1308 0.1308 0.8368 0.8368 0.8439 0.8439 6.6712 6.6712 6.6720 6.6720 k = 0.0000 0.1948 0.2313 ( 8104 PWs) bands (ev): -15.8491 -15.8491 -15.8491 -15.8491 -15.7175 -15.7175 -15.7173 -15.7173 -13.6656 -13.6656 -13.6656 -13.6656 -13.5638 -13.5638 -13.5635 -13.5635 -3.7809 -3.7809 -3.7720 -3.7720 -3.5131 -3.5131 -3.4945 -3.4945 -3.1598 -3.1598 -3.1430 -3.1430 -2.7911 -2.7911 -2.7901 -2.7901 -2.5240 -2.5240 -2.5128 -2.5128 -2.4618 -2.4618 -2.4533 -2.4533 -1.9273 -1.9273 -1.9165 -1.9165 -1.7542 -1.7542 -1.7193 -1.7193 -1.3351 -1.3351 -1.3118 -1.3118 -1.0025 -1.0025 -0.9868 -0.9868 -0.7054 -0.7054 -0.7016 -0.7016 -0.5048 -0.5048 -0.4822 -0.4822 -0.3236 -0.3236 -0.3093 -0.3093 -0.0384 -0.0384 -0.0323 -0.0323 -0.0217 -0.0217 -0.0131 -0.0131 0.1102 0.1102 0.1308 0.1308 0.8299 0.8299 0.8370 0.8370 6.6512 6.6512 6.6520 6.6520 k = 0.0000 0.1833 0.2313 ( 8110 PWs) bands (ev): -15.8499 -15.8499 -15.8499 -15.8499 -15.7167 -15.7167 -15.7166 -15.7166 -13.6671 -13.6671 -13.6671 -13.6671 -13.5622 -13.5622 -13.5619 -13.5619 -3.7901 -3.7901 -3.7815 -3.7815 -3.5130 -3.5130 -3.4943 -3.4943 -3.1639 -3.1639 -3.1470 -3.1470 -2.7934 -2.7934 -2.7927 -2.7927 -2.5241 -2.5241 -2.5133 -2.5133 -2.4405 -2.4405 -2.4319 -2.4319 -1.9280 -1.9280 -1.9181 -1.9181 -1.7543 -1.7543 -1.7200 -1.7200 -1.3342 -1.3342 -1.3132 -1.3132 -0.9979 -0.9979 -0.9789 -0.9789 -0.7221 -0.7221 -0.7149 -0.7149 -0.4897 -0.4897 -0.4662 -0.4662 -0.3215 -0.3215 -0.3070 -0.3070 -0.0384 -0.0384 -0.0342 -0.0342 -0.0226 -0.0226 -0.0158 -0.0158 0.1102 0.1102 0.1307 0.1307 0.8218 0.8218 0.8287 0.8287 6.6281 6.6281 6.6289 6.6289 k = 0.0000 0.1718 0.2313 ( 8110 PWs) bands (ev): -15.8507 -15.8507 -15.8507 -15.8507 -15.7158 -15.7158 -15.7157 -15.7157 -13.6687 -13.6687 -13.6687 -13.6687 -13.5604 -13.5604 -13.5602 -13.5602 -3.8004 -3.8004 -3.7922 -3.7922 -3.5126 -3.5126 -3.4940 -3.4940 -3.1684 -3.1684 -3.1514 -3.1514 -2.7957 -2.7957 -2.7953 -2.7953 -2.5242 -2.5242 -2.5139 -2.5139 -2.4168 -2.4168 -2.4080 -2.4080 -1.9287 -1.9287 -1.9199 -1.9199 -1.7550 -1.7550 -1.7215 -1.7215 -1.3330 -1.3330 -1.3144 -1.3144 -0.9928 -0.9928 -0.9702 -0.9702 -0.7384 -0.7384 -0.7276 -0.7276 -0.4750 -0.4750 -0.4509 -0.4509 -0.3188 -0.3188 -0.3042 -0.3042 -0.0389 -0.0389 -0.0375 -0.0375 -0.0225 -0.0225 -0.0181 -0.0181 0.1101 0.1101 0.1305 0.1305 0.8123 0.8123 0.8192 0.8192 6.6026 6.6026 6.6034 6.6034 k = 0.0000 0.1604 0.2313 ( 8110 PWs) bands (ev): -15.8517 -15.8517 -15.8516 -15.8516 -15.7148 -15.7148 -15.7147 -15.7147 -13.6704 -13.6704 -13.6704 -13.6704 -13.5585 -13.5585 -13.5583 -13.5583 -3.8115 -3.8115 -3.8038 -3.8038 -3.5120 -3.5120 -3.4936 -3.4936 -3.1733 -3.1733 -3.1563 -3.1563 -2.7980 -2.7980 -2.7977 -2.7977 -2.5243 -2.5243 -2.5144 -2.5144 -2.3911 -2.3911 -2.3821 -2.3821 -1.9294 -1.9294 -1.9218 -1.9218 -1.7566 -1.7566 -1.7239 -1.7239 -1.3313 -1.3313 -1.3152 -1.3152 -0.9875 -0.9875 -0.9609 -0.9609 -0.7541 -0.7541 -0.7393 -0.7393 -0.4609 -0.4609 -0.4366 -0.4366 -0.3151 -0.3151 -0.3008 -0.3008 -0.0417 -0.0417 -0.0406 -0.0406 -0.0218 -0.0218 -0.0196 -0.0196 0.1099 0.1099 0.1302 0.1302 0.8018 0.8018 0.8086 0.8086 6.5755 6.5755 6.5762 6.5762 k = 0.0000 0.1489 0.2313 ( 8114 PWs) bands (ev): -15.8526 -15.8526 -15.8526 -15.8526 -15.7138 -15.7138 -15.7137 -15.7137 -13.6722 -13.6722 -13.6721 -13.6721 -13.5566 -13.5566 -13.5564 -13.5564 -3.8232 -3.8232 -3.8160 -3.8160 -3.5111 -3.5111 -3.4931 -3.4931 -3.1783 -3.1783 -3.1615 -3.1615 -2.8001 -2.8001 -2.8000 -2.8000 -2.5243 -2.5243 -2.5151 -2.5151 -2.3637 -2.3637 -2.3546 -2.3546 -1.9303 -1.9303 -1.9239 -1.9239 -1.7591 -1.7591 -1.7275 -1.7275 -1.3291 -1.3291 -1.3155 -1.3155 -0.9822 -0.9822 -0.9513 -0.9513 -0.7689 -0.7689 -0.7498 -0.7498 -0.4478 -0.4478 -0.4237 -0.4237 -0.3105 -0.3105 -0.2966 -0.2966 -0.0464 -0.0464 -0.0435 -0.0435 -0.0206 -0.0206 -0.0199 -0.0199 0.1097 0.1097 0.1298 0.1298 0.7904 0.7904 0.7970 0.7970 6.5472 6.5472 6.5480 6.5480 k = 0.0000 0.1375 0.2313 ( 8110 PWs) bands (ev): -15.8536 -15.8536 -15.8536 -15.8536 -15.7128 -15.7128 -15.7127 -15.7127 -13.6740 -13.6740 -13.6739 -13.6739 -13.5547 -13.5547 -13.5544 -13.5544 -3.8352 -3.8352 -3.8285 -3.8285 -3.5100 -3.5100 -3.4924 -3.4924 -3.1835 -3.1835 -3.1670 -3.1670 -2.8022 -2.8022 -2.8021 -2.8021 -2.5243 -2.5243 -2.5157 -2.5157 -2.3351 -2.3351 -2.3260 -2.3260 -1.9311 -1.9311 -1.9260 -1.9260 -1.7628 -1.7628 -1.7323 -1.7323 -1.3264 -1.3264 -1.3153 -1.3153 -0.9771 -0.9771 -0.9420 -0.9420 -0.7823 -0.7823 -0.7588 -0.7588 -0.4359 -0.4359 -0.4125 -0.4125 -0.3047 -0.3047 -0.2917 -0.2917 -0.0515 -0.0515 -0.0474 -0.0474 -0.0193 -0.0193 -0.0192 -0.0192 0.1094 0.1094 0.1293 0.1293 0.7782 0.7782 0.7847 0.7847 6.5185 6.5185 6.5193 6.5193 k = 0.0000 0.1260 0.2313 ( 8110 PWs) bands (ev): -15.8546 -15.8546 -15.8546 -15.8546 -15.7117 -15.7117 -15.7116 -15.7116 -13.6757 -13.6757 -13.6757 -13.6757 -13.5527 -13.5527 -13.5525 -13.5525 -3.8472 -3.8472 -3.8410 -3.8410 -3.5086 -3.5086 -3.4917 -3.4917 -3.1887 -3.1887 -3.1726 -3.1726 -2.8041 -2.8041 -2.8039 -2.8039 -2.5243 -2.5243 -2.5164 -2.5164 -2.3055 -2.3055 -2.2965 -2.2965 -1.9320 -1.9320 -1.9282 -1.9282 -1.7678 -1.7678 -1.7385 -1.7385 -1.3233 -1.3233 -1.3145 -1.3145 -0.9723 -0.9723 -0.9332 -0.9332 -0.7941 -0.7941 -0.7664 -0.7664 -0.4252 -0.4252 -0.4032 -0.4032 -0.2978 -0.2978 -0.2862 -0.2862 -0.0567 -0.0567 -0.0519 -0.0519 -0.0180 -0.0180 -0.0177 -0.0177 0.1091 0.1091 0.1287 0.1287 0.7655 0.7655 0.7717 0.7717 6.4900 6.4900 6.4907 6.4907 k = 0.0000 0.1146 0.2313 ( 8110 PWs) bands (ev): -15.8556 -15.8556 -15.8556 -15.8556 -15.7107 -15.7107 -15.7106 -15.7106 -13.6774 -13.6774 -13.6774 -13.6774 -13.5508 -13.5508 -13.5507 -13.5507 -3.8589 -3.8589 -3.8534 -3.8534 -3.5070 -3.5070 -3.4909 -3.4909 -3.1937 -3.1937 -3.1783 -3.1783 -2.8058 -2.8058 -2.8055 -2.8055 -2.5243 -2.5243 -2.5171 -2.5171 -2.2754 -2.2754 -2.2665 -2.2665 -1.9330 -1.9330 -1.9306 -1.9306 -1.7741 -1.7741 -1.7461 -1.7461 -1.3199 -1.3199 -1.3132 -1.3132 -0.9680 -0.9680 -0.9257 -0.9257 -0.8037 -0.8037 -0.7724 -0.7724 -0.4159 -0.4159 -0.3957 -0.3957 -0.2899 -0.2899 -0.2800 -0.2800 -0.0619 -0.0619 -0.0569 -0.0569 -0.0162 -0.0162 -0.0160 -0.0160 0.1088 0.1088 0.1279 0.1279 0.7524 0.7524 0.7584 0.7584 6.4623 6.4623 6.4629 6.4629 k = 0.0000 0.1031 0.2313 ( 8106 PWs) bands (ev): -15.8566 -15.8566 -15.8566 -15.8566 -15.7097 -15.7097 -15.7096 -15.7096 -13.6790 -13.6790 -13.6790 -13.6790 -13.5490 -13.5490 -13.5489 -13.5489 -3.8703 -3.8703 -3.8653 -3.8653 -3.5053 -3.5053 -3.4901 -3.4901 -3.1985 -3.1985 -3.1839 -3.1839 -2.8073 -2.8073 -2.8070 -2.8070 -2.5243 -2.5243 -2.5177 -2.5177 -2.2450 -2.2450 -2.2363 -2.2363 -1.9341 -1.9341 -1.9331 -1.9331 -1.7819 -1.7819 -1.7552 -1.7552 -1.3161 -1.3161 -1.3113 -1.3113 -0.9643 -0.9643 -0.9201 -0.9201 -0.8106 -0.8106 -0.7769 -0.7769 -0.4078 -0.4078 -0.3899 -0.3899 -0.2814 -0.2814 -0.2733 -0.2733 -0.0669 -0.0669 -0.0619 -0.0619 -0.0143 -0.0143 -0.0143 -0.0143 0.1086 0.1086 0.1271 0.1271 0.7393 0.7393 0.7450 0.7450 6.4357 6.4357 6.4363 6.4363 k = 0.0000 0.0916 0.2313 ( 8110 PWs) bands (ev): -15.8575 -15.8575 -15.8575 -15.8575 -15.7088 -15.7088 -15.7087 -15.7087 -13.6805 -13.6805 -13.6805 -13.6805 -13.5474 -13.5474 -13.5472 -13.5472 -3.8809 -3.8809 -3.8765 -3.8765 -3.5034 -3.5034 -3.4893 -3.4893 -3.2030 -3.2030 -3.1893 -3.1893 -2.8086 -2.8086 -2.8083 -2.8083 -2.5243 -2.5243 -2.5184 -2.5184 -2.2146 -2.2146 -2.2062 -2.2062 -1.9358 -1.9358 -1.9355 -1.9355 -1.7909 -1.7909 -1.7655 -1.7655 -1.3123 -1.3123 -1.3090 -1.3090 -0.9611 -0.9611 -0.9170 -0.9170 -0.8143 -0.8143 -0.7799 -0.7799 -0.4011 -0.4011 -0.3855 -0.3855 -0.2726 -0.2726 -0.2664 -0.2664 -0.0718 -0.0718 -0.0669 -0.0669 -0.0126 -0.0126 -0.0122 -0.0122 0.1085 0.1085 0.1262 0.1262 0.7264 0.7264 0.7318 0.7318 6.4108 6.4108 6.4114 6.4114 k = 0.0000 0.0802 0.2313 ( 8112 PWs) bands (ev): -15.8583 -15.8583 -15.8583 -15.8583 -15.7079 -15.7079 -15.7078 -15.7078 -13.6819 -13.6819 -13.6819 -13.6819 -13.5458 -13.5458 -13.5457 -13.5457 -3.8908 -3.8908 -3.8869 -3.8869 -3.5015 -3.5015 -3.4887 -3.4887 -3.2070 -3.2070 -3.1946 -3.1946 -2.8098 -2.8098 -2.8094 -2.8094 -2.5242 -2.5242 -2.5190 -2.5190 -2.1845 -2.1845 -2.1765 -2.1765 -1.9389 -1.9389 -1.9372 -1.9372 -1.8010 -1.8010 -1.7770 -1.7770 -1.3085 -1.3085 -1.3065 -1.3065 -0.9586 -0.9586 -0.9165 -0.9165 -0.8149 -0.8149 -0.7817 -0.7817 -0.3954 -0.3954 -0.3822 -0.3822 -0.2640 -0.2640 -0.2594 -0.2594 -0.0763 -0.0763 -0.0717 -0.0717 -0.0109 -0.0109 -0.0102 -0.0102 0.1086 0.1086 0.1252 0.1252 0.7141 0.7141 0.7190 0.7190 6.3880 6.3880 6.3885 6.3885 k = 0.0000 0.0687 0.2313 ( 8110 PWs) bands (ev): -15.8591 -15.8591 -15.8591 -15.8591 -15.7071 -15.7071 -15.7070 -15.7070 -13.6831 -13.6831 -13.6831 -13.6831 -13.5444 -13.5444 -13.5443 -13.5443 -3.8996 -3.8996 -3.8963 -3.8963 -3.4994 -3.4994 -3.4881 -3.4881 -3.2106 -3.2106 -3.1995 -3.1995 -2.8108 -2.8108 -2.8104 -2.8104 -2.5241 -2.5241 -2.5196 -2.5196 -2.1550 -2.1550 -2.1474 -2.1474 -1.9426 -1.9426 -1.9396 -1.9396 -1.8119 -1.8119 -1.7894 -1.7894 -1.3048 -1.3048 -1.3038 -1.3038 -0.9564 -0.9564 -0.9183 -0.9183 -0.8129 -0.8129 -0.7826 -0.7826 -0.3908 -0.3908 -0.3798 -0.3798 -0.2558 -0.2558 -0.2527 -0.2527 -0.0803 -0.0803 -0.0762 -0.0762 -0.0093 -0.0093 -0.0083 -0.0083 0.1089 0.1089 0.1241 0.1241 0.7026 0.7026 0.7070 0.7070 6.3675 6.3675 6.3680 6.3680 k = 0.0000 0.0573 0.2313 ( 8100 PWs) bands (ev): -15.8597 -15.8597 -15.8597 -15.8597 -15.7064 -15.7064 -15.7064 -15.7064 -13.6842 -13.6842 -13.6842 -13.6842 -13.5432 -13.5432 -13.5431 -13.5431 -3.9072 -3.9072 -3.9045 -3.9045 -3.4974 -3.4974 -3.4877 -3.4877 -3.2136 -3.2136 -3.2040 -3.2040 -2.8116 -2.8116 -2.8113 -2.8113 -2.5239 -2.5239 -2.5202 -2.5202 -2.1262 -2.1262 -2.1193 -2.1193 -1.9469 -1.9469 -1.9430 -1.9430 -1.8229 -1.8229 -1.8022 -1.8022 -1.3015 -1.3015 -1.3011 -1.3011 -0.9545 -0.9545 -0.9217 -0.9217 -0.8090 -0.8090 -0.7829 -0.7829 -0.3870 -0.3870 -0.3782 -0.3782 -0.2485 -0.2485 -0.2466 -0.2466 -0.0838 -0.0838 -0.0803 -0.0803 -0.0078 -0.0078 -0.0067 -0.0067 0.1095 0.1095 0.1229 0.1229 0.6922 0.6922 0.6961 0.6961 6.3498 6.3498 6.3501 6.3501 k = 0.0000 0.0458 0.2313 ( 8104 PWs) bands (ev): -15.8603 -15.8603 -15.8603 -15.8603 -15.7058 -15.7058 -15.7058 -15.7058 -13.6851 -13.6851 -13.6851 -13.6851 -13.5422 -13.5422 -13.5421 -13.5421 -3.9136 -3.9136 -3.9114 -3.9114 -3.4955 -3.4955 -3.4875 -3.4875 -3.2159 -3.2159 -3.2081 -3.2081 -2.8122 -2.8122 -2.8120 -2.8120 -2.5237 -2.5237 -2.5208 -2.5208 -2.0986 -2.0986 -2.0925 -2.0925 -1.9524 -1.9524 -1.9479 -1.9479 -1.8333 -1.8333 -1.8150 -1.8150 -1.2987 -1.2987 -1.2987 -1.2987 -0.9526 -0.9526 -0.9259 -0.9259 -0.8043 -0.8043 -0.7830 -0.7830 -0.3839 -0.3839 -0.3771 -0.3771 -0.2423 -0.2423 -0.2411 -0.2411 -0.0868 -0.0868 -0.0838 -0.0838 -0.0065 -0.0065 -0.0053 -0.0053 0.1104 0.1104 0.1217 0.1217 0.6833 0.6833 0.6865 0.6865 6.3349 6.3349 6.3352 6.3352 k = 0.0000 0.0344 0.2313 ( 8104 PWs) bands (ev): -15.8607 -15.8607 -15.8607 -15.8607 -15.7054 -15.7054 -15.7053 -15.7053 -13.6858 -13.6858 -13.6858 -13.6858 -13.5414 -13.5414 -13.5413 -13.5413 -3.9186 -3.9186 -3.9170 -3.9170 -3.4937 -3.4937 -3.4876 -3.4876 -3.2176 -3.2176 -3.2115 -3.2115 -2.8127 -2.8127 -2.8125 -2.8125 -2.5235 -2.5235 -2.5213 -2.5213 -2.0725 -2.0725 -2.0675 -2.0675 -1.9592 -1.9592 -1.9549 -1.9549 -1.8421 -1.8421 -1.8271 -1.8271 -1.2966 -1.2966 -1.2964 -1.2964 -0.9506 -0.9506 -0.9304 -0.9304 -0.7993 -0.7993 -0.7833 -0.7833 -0.3815 -0.3815 -0.3765 -0.3765 -0.2372 -0.2372 -0.2366 -0.2366 -0.0890 -0.0890 -0.0868 -0.0868 -0.0053 -0.0053 -0.0042 -0.0042 0.1115 0.1115 0.1204 0.1204 0.6762 0.6762 0.6787 0.6787 6.3232 6.3232 6.3234 6.3234 k = 0.0000 0.0229 0.2313 ( 8110 PWs) bands (ev): -15.8611 -15.8611 -15.8610 -15.8610 -15.7050 -15.7050 -15.7050 -15.7050 -13.6863 -13.6863 -13.6863 -13.6863 -13.5408 -13.5408 -13.5408 -13.5408 -3.9221 -3.9221 -3.9211 -3.9211 -3.4921 -3.4921 -3.4879 -3.4879 -3.2185 -3.2185 -3.2144 -3.2144 -2.8130 -2.8130 -2.8129 -2.8129 -2.5232 -2.5232 -2.5218 -2.5218 -2.0487 -2.0487 -2.0450 -2.0450 -1.9677 -1.9677 -1.9643 -1.9643 -1.8484 -1.8484 -1.8375 -1.8375 -1.2949 -1.2949 -1.2947 -1.2947 -0.9484 -0.9484 -0.9348 -0.9348 -0.7948 -0.7948 -0.7840 -0.7840 -0.3796 -0.3796 -0.3763 -0.3763 -0.2336 -0.2336 -0.2333 -0.2333 -0.0906 -0.0906 -0.0891 -0.0891 -0.0044 -0.0044 -0.0036 -0.0036 0.1129 0.1129 0.1190 0.1190 0.6710 0.6710 0.6727 0.6727 6.3147 6.3147 6.3148 6.3148 k = 0.0000 0.0115 0.2313 ( 8110 PWs) bands (ev): -15.8612 -15.8612 -15.8612 -15.8612 -15.7048 -15.7048 -15.7048 -15.7048 -13.6866 -13.6866 -13.6866 -13.6866 -13.5405 -13.5405 -13.5404 -13.5404 -3.9242 -3.9242 -3.9236 -3.9236 -3.4907 -3.4907 -3.4886 -3.4886 -3.2186 -3.2186 -3.2165 -3.2165 -2.8132 -2.8132 -2.8132 -2.8132 -2.5229 -2.5229 -2.5222 -2.5222 -2.0288 -2.0288 -2.0268 -2.0268 -1.9771 -1.9771 -1.9753 -1.9753 -1.8511 -1.8511 -1.8454 -1.8454 -1.2939 -1.2939 -1.2937 -1.2937 -0.9457 -0.9457 -0.9389 -0.9389 -0.7908 -0.7908 -0.7855 -0.7855 -0.3782 -0.3782 -0.3765 -0.3765 -0.2313 -0.2313 -0.2312 -0.2312 -0.0914 -0.0914 -0.0906 -0.0906 -0.0037 -0.0037 -0.0033 -0.0033 0.1144 0.1144 0.1174 0.1174 0.6680 0.6680 0.6689 0.6689 6.3096 6.3096 6.3096 6.3096 k = 0.0000 0.0000 0.2313 ( 8106 PWs) bands (ev): -15.8613 -15.8613 -15.8613 -15.8613 -15.7047 -15.7047 -15.7047 -15.7047 -13.6867 -13.6867 -13.6867 -13.6867 -13.5403 -13.5403 -13.5403 -13.5403 -3.9247 -3.9247 -3.9247 -3.9247 -3.4895 -3.4895 -3.4895 -3.4895 -3.2179 -3.2179 -3.2179 -3.2179 -2.8133 -2.8133 -2.8133 -2.8133 -2.5226 -2.5226 -2.5226 -2.5226 -2.0188 -2.0188 -2.0188 -2.0188 -1.9822 -1.9822 -1.9822 -1.9822 -1.8501 -1.8501 -1.8501 -1.8501 -1.2934 -1.2934 -1.2934 -1.2934 -0.9425 -0.9425 -0.9425 -0.9425 -0.7877 -0.7877 -0.7877 -0.7877 -0.3772 -0.3772 -0.3772 -0.3772 -0.2305 -0.2305 -0.2305 -0.2305 -0.0914 -0.0914 -0.0914 -0.0914 -0.0033 -0.0033 -0.0033 -0.0033 0.1159 0.1159 0.1159 0.1159 0.6673 0.6673 0.6673 0.6673 6.3079 6.3079 6.3079 6.3079 k = 0.0000 0.2520-0.0000 ( 8130 PWs) bands (ev): -15.8676 -15.8676 -15.8676 -15.8676 -15.6966 -15.6966 -15.6966 -15.6966 -13.6625 -13.6625 -13.6625 -13.6625 -13.5696 -13.5696 -13.5696 -13.5696 -3.7574 -3.7574 -3.7574 -3.7574 -3.5179 -3.5179 -3.5179 -3.5179 -3.2349 -3.2349 -3.2349 -3.2349 -2.7956 -2.7956 -2.7956 -2.7956 -2.5226 -2.5226 -2.5226 -2.5226 -2.2275 -2.2275 -2.2275 -2.2275 -1.9286 -1.9286 -1.9286 -1.9286 -1.8962 -1.8962 -1.8962 -1.8962 -1.4152 -1.4152 -1.4152 -1.4152 -0.8691 -0.8691 -0.8691 -0.8691 -0.6486 -0.6486 -0.6486 -0.6486 -0.4558 -0.4558 -0.4558 -0.4558 -0.3125 -0.3125 -0.3125 -0.3125 -0.0592 -0.0592 -0.0592 -0.0592 -0.0172 -0.0172 -0.0172 -0.0172 0.0540 0.0540 0.0540 0.0540 0.8263 0.8263 0.8263 0.8263 6.6122 6.6122 6.6122 6.6122 k = 0.0000 0.2520 0.0116 ( 8142 PWs) bands (ev): -15.8675 -15.8675 -15.8675 -15.8675 -15.6968 -15.6968 -15.6968 -15.6968 -13.6625 -13.6625 -13.6625 -13.6625 -13.5696 -13.5696 -13.5695 -13.5695 -3.7577 -3.7577 -3.7571 -3.7571 -3.5185 -3.5185 -3.5173 -3.5173 -3.2348 -3.2348 -3.2338 -3.2338 -2.7955 -2.7955 -2.7955 -2.7955 -2.5232 -2.5232 -2.5221 -2.5221 -2.2312 -2.2312 -2.2288 -2.2288 -1.9287 -1.9287 -1.9286 -1.9286 -1.8962 -1.8962 -1.8925 -1.8925 -1.4154 -1.4154 -1.4143 -1.4143 -0.8699 -0.8699 -0.8677 -0.8677 -0.6509 -0.6509 -0.6488 -0.6488 -0.4574 -0.4574 -0.4562 -0.4562 -0.3170 -0.3170 -0.3067 -0.3067 -0.0663 -0.0663 -0.0538 -0.0538 -0.0187 -0.0187 -0.0127 -0.0127 0.0526 0.0526 0.0552 0.0552 0.8261 0.8261 0.8268 0.8268 6.6127 6.6127 6.6128 6.6128 k = 0.0000 0.2520 0.0231 ( 8142 PWs) bands (ev): -15.8672 -15.8672 -15.8672 -15.8672 -15.6971 -15.6971 -15.6971 -15.6971 -13.6625 -13.6625 -13.6625 -13.6625 -13.5695 -13.5695 -13.5695 -13.5695 -3.7578 -3.7578 -3.7566 -3.7566 -3.5191 -3.5191 -3.5167 -3.5167 -3.2335 -3.2335 -3.2316 -3.2316 -2.7954 -2.7954 -2.7953 -2.7953 -2.5237 -2.5237 -2.5215 -2.5215 -2.2396 -2.2396 -2.2350 -2.2350 -1.9287 -1.9287 -1.9287 -1.9287 -1.8927 -1.8927 -1.8852 -1.8852 -1.4150 -1.4150 -1.4126 -1.4126 -0.8702 -0.8702 -0.8658 -0.8658 -0.6554 -0.6554 -0.6514 -0.6514 -0.4609 -0.4609 -0.4582 -0.4582 -0.3200 -0.3200 -0.3003 -0.3003 -0.0734 -0.0734 -0.0514 -0.0514 -0.0160 -0.0160 -0.0064 -0.0064 0.0509 0.0509 0.0562 0.0562 0.8262 0.8262 0.8276 0.8276 6.6143 6.6143 6.6144 6.6144 k = 0.0000 0.2520 0.0347 ( 8126 PWs) bands (ev): -15.8666 -15.8666 -15.8666 -15.8666 -15.6978 -15.6978 -15.6977 -15.6977 -13.6625 -13.6625 -13.6625 -13.6625 -13.5695 -13.5695 -13.5694 -13.5694 -3.7580 -3.7580 -3.7561 -3.7561 -3.5196 -3.5196 -3.5160 -3.5160 -3.2311 -3.2311 -3.2282 -3.2282 -2.7951 -2.7951 -2.7949 -2.7949 -2.5241 -2.5241 -2.5208 -2.5208 -2.2519 -2.2519 -2.2456 -2.2456 -1.9289 -1.9289 -1.9283 -1.9283 -1.8864 -1.8864 -1.8752 -1.8752 -1.4137 -1.4137 -1.4102 -1.4102 -0.8701 -0.8701 -0.8635 -0.8635 -0.6618 -0.6618 -0.6565 -0.6565 -0.4660 -0.4660 -0.4613 -0.4613 -0.3214 -0.3214 -0.2939 -0.2939 -0.0795 -0.0795 -0.0515 -0.0515 -0.0099 -0.0099 0.0007 0.0007 0.0490 0.0490 0.0572 0.0572 0.8266 0.8266 0.8287 0.8287 6.6170 6.6170 6.6172 6.6172 k = 0.0000 0.2520 0.0463 ( 8122 PWs) bands (ev): -15.8659 -15.8659 -15.8659 -15.8659 -15.6986 -15.6986 -15.6985 -15.6985 -13.6625 -13.6625 -13.6625 -13.6625 -13.5694 -13.5694 -13.5693 -13.5693 -3.7580 -3.7580 -3.7556 -3.7556 -3.5201 -3.5201 -3.5153 -3.5153 -3.2277 -3.2277 -3.2238 -3.2238 -2.7947 -2.7947 -2.7945 -2.7945 -2.5245 -2.5245 -2.5202 -2.5202 -2.2674 -2.2674 -2.2599 -2.2599 -1.9290 -1.9290 -1.9277 -1.9277 -1.8778 -1.8778 -1.8632 -1.8632 -1.4118 -1.4118 -1.4071 -1.4071 -0.8698 -0.8698 -0.8612 -0.8612 -0.6698 -0.6698 -0.6637 -0.6637 -0.4721 -0.4721 -0.4652 -0.4652 -0.3218 -0.3218 -0.2885 -0.2885 -0.0841 -0.0841 -0.0527 -0.0527 -0.0025 -0.0025 0.0080 0.0080 0.0472 0.0472 0.0586 0.0586 0.8273 0.8273 0.8300 0.8300 6.6207 6.6207 6.6210 6.6210 k = 0.0000 0.2520 0.0578 ( 8134 PWs) bands (ev): -15.8650 -15.8650 -15.8650 -15.8650 -15.6996 -15.6996 -15.6996 -15.6996 -13.6624 -13.6624 -13.6624 -13.6624 -13.5693 -13.5693 -13.5692 -13.5692 -3.7581 -3.7581 -3.7550 -3.7550 -3.5205 -3.5205 -3.5145 -3.5145 -3.2234 -3.2234 -3.2185 -3.2185 -2.7941 -2.7941 -2.7940 -2.7940 -2.5248 -2.5248 -2.5196 -2.5196 -2.2854 -2.2854 -2.2770 -2.2770 -1.9291 -1.9291 -1.9268 -1.9268 -1.8676 -1.8676 -1.8499 -1.8499 -1.4093 -1.4093 -1.4033 -1.4033 -0.8699 -0.8699 -0.8592 -0.8592 -0.6787 -0.6787 -0.6725 -0.6725 -0.4787 -0.4787 -0.4694 -0.4694 -0.3215 -0.3215 -0.2844 -0.2844 -0.0868 -0.0868 -0.0537 -0.0537 0.0043 0.0043 0.0147 0.0147 0.0460 0.0460 0.0609 0.0609 0.8283 0.8283 0.8316 0.8316 6.6254 6.6254 6.6257 6.6257 k = 0.0000 0.2520 0.0694 ( 8122 PWs) bands (ev): -15.8639 -15.8639 -15.8639 -15.8639 -15.7009 -15.7009 -15.7008 -15.7008 -13.6624 -13.6624 -13.6624 -13.6624 -13.5692 -13.5692 -13.5691 -13.5691 -3.7581 -3.7581 -3.7544 -3.7544 -3.5207 -3.5207 -3.5135 -3.5135 -3.2183 -3.2183 -3.2124 -3.2124 -2.7935 -2.7935 -2.7933 -2.7933 -2.5251 -2.5251 -2.5189 -2.5189 -2.3050 -2.3050 -2.2963 -2.2963 -1.9291 -1.9291 -1.9258 -1.9258 -1.8565 -1.8565 -1.8360 -1.8360 -1.4060 -1.4060 -1.3987 -1.3987 -0.8708 -0.8708 -0.8581 -0.8581 -0.6876 -0.6876 -0.6822 -0.6822 -0.4853 -0.4853 -0.4739 -0.4739 -0.3209 -0.3209 -0.2822 -0.2822 -0.0875 -0.0875 -0.0541 -0.0541 0.0096 0.0096 0.0192 0.0192 0.0466 0.0466 0.0645 0.0645 0.8296 0.8296 0.8334 0.8334 6.6308 6.6308 6.6313 6.6313 k = 0.0000 0.2520 0.0810 ( 8128 PWs) bands (ev): -15.8626 -15.8626 -15.8626 -15.8626 -15.7023 -15.7023 -15.7022 -15.7022 -13.6624 -13.6624 -13.6624 -13.6624 -13.5691 -13.5691 -13.5690 -13.5690 -3.7581 -3.7581 -3.7537 -3.7537 -3.5208 -3.5208 -3.5124 -3.5124 -3.2125 -3.2125 -3.2057 -3.2057 -2.7927 -2.7927 -2.7926 -2.7926 -2.5254 -2.5254 -2.5182 -2.5182 -2.3258 -2.3258 -2.3169 -2.3169 -1.9290 -1.9290 -1.9246 -1.9246 -1.8449 -1.8449 -1.8220 -1.8220 -1.4021 -1.4021 -1.3935 -1.3935 -0.8732 -0.8732 -0.8590 -0.8590 -0.6958 -0.6958 -0.6915 -0.6915 -0.4917 -0.4917 -0.4783 -0.4783 -0.3204 -0.3204 -0.2817 -0.2817 -0.0862 -0.0862 -0.0537 -0.0537 0.0127 0.0127 0.0205 0.0205 0.0502 0.0502 0.0696 0.0696 0.8310 0.8310 0.8353 0.8353 6.6371 6.6371 6.6375 6.6375 k = 0.0000 0.2520 0.0925 ( 8128 PWs) bands (ev): -15.8612 -15.8612 -15.8612 -15.8612 -15.7039 -15.7039 -15.7038 -15.7038 -13.6623 -13.6623 -13.6623 -13.6623 -13.5690 -13.5690 -13.5688 -13.5688 -3.7580 -3.7580 -3.7531 -3.7531 -3.5207 -3.5207 -3.5111 -3.5111 -3.2063 -3.2063 -3.1985 -3.1985 -2.7919 -2.7919 -2.7918 -2.7918 -2.5255 -2.5255 -2.5176 -2.5176 -2.3472 -2.3472 -2.3383 -2.3383 -1.9288 -1.9288 -1.9234 -1.9234 -1.8333 -1.8333 -1.8082 -1.8082 -1.3976 -1.3976 -1.3875 -1.3875 -0.8778 -0.8778 -0.8626 -0.8626 -0.7022 -0.7022 -0.6991 -0.6991 -0.4978 -0.4978 -0.4829 -0.4829 -0.3201 -0.3201 -0.2829 -0.2829 -0.0833 -0.0833 -0.0526 -0.0526 0.0138 0.0138 0.0189 0.0189 0.0562 0.0562 0.0760 0.0760 0.8326 0.8326 0.8375 0.8375 6.6439 6.6439 6.6444 6.6444 k = 0.0000 0.2520 0.1041 ( 8104 PWs) bands (ev): -15.8597 -15.8597 -15.8597 -15.8597 -15.7055 -15.7055 -15.7054 -15.7054 -13.6623 -13.6623 -13.6623 -13.6623 -13.5689 -13.5689 -13.5687 -13.5687 -3.7580 -3.7580 -3.7524 -3.7524 -3.5203 -3.5203 -3.5096 -3.5096 -3.1997 -3.1997 -3.1909 -3.1909 -2.7910 -2.7910 -2.7909 -2.7909 -2.5257 -2.5257 -2.5169 -2.5169 -2.3686 -2.3686 -2.3599 -2.3599 -1.9286 -1.9286 -1.9221 -1.9221 -1.8219 -1.8219 -1.7950 -1.7950 -1.3924 -1.3924 -1.3809 -1.3809 -0.8851 -0.8851 -0.8698 -0.8698 -0.7060 -0.7060 -0.7039 -0.7039 -0.5037 -0.5037 -0.4875 -0.4875 -0.3202 -0.3202 -0.2853 -0.2853 -0.0791 -0.0791 -0.0509 -0.0509 0.0132 0.0132 0.0157 0.0157 0.0633 0.0633 0.0832 0.0832 0.8344 0.8344 0.8397 0.8397 6.6512 6.6512 6.6518 6.6518 k = 0.0000 0.2520 0.1157 ( 8114 PWs) bands (ev): -15.8582 -15.8582 -15.8582 -15.8582 -15.7073 -15.7073 -15.7072 -15.7072 -13.6622 -13.6622 -13.6622 -13.6622 -13.5687 -13.5687 -13.5685 -13.5685 -3.7579 -3.7579 -3.7518 -3.7518 -3.5198 -3.5198 -3.5080 -3.5080 -3.1929 -3.1929 -3.1831 -3.1831 -2.7902 -2.7902 -2.7899 -2.7899 -2.5257 -2.5257 -2.5163 -2.5163 -2.3897 -2.3897 -2.3813 -2.3813 -1.9283 -1.9283 -1.9208 -1.9208 -1.8111 -1.8111 -1.7825 -1.7825 -1.3868 -1.3868 -1.3737 -1.3737 -0.8951 -0.8951 -0.8807 -0.8807 -0.7068 -0.7068 -0.7052 -0.7052 -0.5094 -0.5094 -0.4924 -0.4924 -0.3206 -0.3206 -0.2885 -0.2885 -0.0740 -0.0740 -0.0486 -0.0486 0.0115 0.0115 0.0117 0.0117 0.0705 0.0705 0.0906 0.0906 0.8363 0.8363 0.8419 0.8419 6.6587 6.6587 6.6593 6.6593 k = 0.0000 0.2520 0.1272 ( 8102 PWs) bands (ev): -15.8566 -15.8566 -15.8566 -15.8566 -15.7091 -15.7091 -15.7090 -15.7090 -13.6622 -13.6622 -13.6621 -13.6621 -13.5686 -13.5686 -13.5684 -13.5684 -3.7579 -3.7579 -3.7512 -3.7512 -3.5192 -3.5192 -3.5063 -3.5063 -3.1861 -3.1861 -3.1754 -3.1754 -2.7893 -2.7893 -2.7888 -2.7888 -2.5257 -2.5257 -2.5157 -2.5157 -2.4100 -2.4100 -2.4020 -2.4020 -1.9279 -1.9279 -1.9195 -1.9195 -1.8010 -1.8010 -1.7710 -1.7710 -1.3807 -1.3807 -1.3659 -1.3659 -0.9075 -0.9075 -0.8950 -0.8950 -0.7048 -0.7048 -0.7032 -0.7032 -0.5151 -0.5151 -0.4975 -0.4975 -0.3213 -0.3213 -0.2923 -0.2923 -0.0686 -0.0686 -0.0459 -0.0459 0.0073 0.0073 0.0092 0.0092 0.0776 0.0776 0.0978 0.0978 0.8382 0.8382 0.8442 0.8442 6.6664 6.6664 6.6670 6.6670 k = 0.0000 0.2520 0.1388 ( 8106 PWs) bands (ev): -15.8550 -15.8550 -15.8550 -15.8550 -15.7108 -15.7108 -15.7107 -15.7107 -13.6621 -13.6621 -13.6621 -13.6621 -13.5685 -13.5685 -13.5682 -13.5682 -3.7579 -3.7579 -3.7506 -3.7506 -3.5183 -3.5183 -3.5045 -3.5045 -3.1795 -3.1795 -3.1679 -3.1679 -2.7884 -2.7884 -2.7877 -2.7877 -2.5257 -2.5257 -2.5152 -2.5152 -2.4294 -2.4294 -2.4218 -2.4218 -1.9276 -1.9276 -1.9182 -1.9182 -1.7918 -1.7918 -1.7604 -1.7604 -1.3743 -1.3743 -1.3577 -1.3577 -0.9218 -0.9218 -0.9117 -0.9117 -0.7004 -0.7004 -0.6984 -0.6984 -0.5208 -0.5208 -0.5028 -0.5028 -0.3221 -0.3221 -0.2962 -0.2962 -0.0630 -0.0630 -0.0431 -0.0431 0.0030 0.0030 0.0065 0.0065 0.0841 0.0841 0.1045 0.1045 0.8401 0.8401 0.8464 0.8464 6.6739 6.6739 6.6746 6.6746 k = 0.0000 0.2520 0.1504 ( 8098 PWs) bands (ev): -15.8534 -15.8534 -15.8534 -15.8534 -15.7126 -15.7126 -15.7124 -15.7124 -13.6621 -13.6621 -13.6620 -13.6620 -13.5683 -13.5683 -13.5681 -13.5681 -3.7579 -3.7579 -3.7501 -3.7501 -3.5174 -3.5174 -3.5026 -3.5026 -3.1733 -3.1733 -3.1607 -3.1607 -2.7875 -2.7875 -2.7866 -2.7866 -2.5256 -2.5256 -2.5147 -2.5147 -2.4473 -2.4473 -2.4402 -2.4402 -1.9272 -1.9272 -1.9170 -1.9170 -1.7835 -1.7835 -1.7510 -1.7510 -1.3677 -1.3677 -1.3491 -1.3491 -0.9369 -0.9369 -0.9296 -0.9296 -0.6941 -0.6941 -0.6916 -0.6916 -0.5267 -0.5267 -0.5085 -0.5085 -0.3231 -0.3231 -0.3000 -0.3000 -0.0577 -0.0577 -0.0403 -0.0403 -0.0012 -0.0012 0.0038 0.0038 0.0901 0.0901 0.1106 0.1106 0.8420 0.8420 0.8485 0.8485 6.6812 6.6812 6.6820 6.6820 k = 0.0000 0.2520 0.1619 ( 8094 PWs) bands (ev): -15.8520 -15.8520 -15.8520 -15.8520 -15.7142 -15.7142 -15.7141 -15.7141 -13.6620 -13.6620 -13.6620 -13.6620 -13.5682 -13.5682 -13.5679 -13.5679 -3.7580 -3.7580 -3.7497 -3.7497 -3.5164 -3.5164 -3.5008 -3.5008 -3.1674 -3.1674 -3.1540 -3.1540 -2.7867 -2.7867 -2.7855 -2.7855 -2.5254 -2.5254 -2.5143 -2.5143 -2.4635 -2.4635 -2.4570 -2.4570 -1.9268 -1.9268 -1.9159 -1.9159 -1.7762 -1.7762 -1.7427 -1.7427 -1.3611 -1.3611 -1.3405 -1.3405 -0.9522 -0.9522 -0.9478 -0.9478 -0.6865 -0.6865 -0.6835 -0.6835 -0.5328 -0.5328 -0.5145 -0.5145 -0.3241 -0.3241 -0.3036 -0.3036 -0.0528 -0.0528 -0.0378 -0.0378 -0.0050 -0.0050 0.0013 0.0013 0.0953 0.0953 0.1159 0.1159 0.8437 0.8437 0.8504 0.8504 6.6880 6.6880 6.6888 6.6888 k = 0.0000 0.2520 0.1735 ( 8094 PWs) bands (ev): -15.8506 -15.8506 -15.8506 -15.8506 -15.7157 -15.7157 -15.7155 -15.7155 -13.6620 -13.6620 -13.6620 -13.6620 -13.5681 -13.5681 -13.5678 -13.5678 -3.7580 -3.7580 -3.7493 -3.7493 -3.5155 -3.5155 -3.4990 -3.4990 -3.1623 -3.1623 -3.1481 -3.1481 -2.7859 -2.7859 -2.7846 -2.7846 -2.5251 -2.5251 -2.5140 -2.5140 -2.4777 -2.4777 -2.4720 -2.4720 -1.9265 -1.9265 -1.9149 -1.9149 -1.7700 -1.7700 -1.7357 -1.7357 -1.3546 -1.3546 -1.3321 -1.3321 -0.9668 -0.9668 -0.9654 -0.9654 -0.6783 -0.6783 -0.6749 -0.6749 -0.5389 -0.5389 -0.5207 -0.5207 -0.3250 -0.3250 -0.3067 -0.3067 -0.0486 -0.0486 -0.0356 -0.0356 -0.0083 -0.0083 -0.0009 -0.0009 0.0998 0.0998 0.1205 0.1205 0.8453 0.8453 0.8522 0.8522 6.6941 6.6941 6.6950 6.6950 k = 0.0000 0.2520 0.1851 ( 8098 PWs) bands (ev): -15.8495 -15.8495 -15.8495 -15.8495 -15.7170 -15.7170 -15.7168 -15.7168 -13.6619 -13.6619 -13.6619 -13.6619 -13.5680 -13.5680 -13.5677 -13.5677 -3.7580 -3.7580 -3.7490 -3.7490 -3.5146 -3.5146 -3.4975 -3.4975 -3.1578 -3.1578 -3.1429 -3.1429 -2.7853 -2.7853 -2.7837 -2.7837 -2.5247 -2.5247 -2.5140 -2.5140 -2.4896 -2.4896 -2.4848 -2.4848 -1.9262 -1.9262 -1.9140 -1.9140 -1.7649 -1.7649 -1.7299 -1.7299 -1.3487 -1.3487 -1.3241 -1.3241 -0.9814 -0.9814 -0.9800 -0.9800 -0.6701 -0.6701 -0.6662 -0.6662 -0.5450 -0.5450 -0.5267 -0.5267 -0.3258 -0.3258 -0.3092 -0.3092 -0.0452 -0.0452 -0.0340 -0.0340 -0.0110 -0.0110 -0.0026 -0.0026 0.1034 0.1034 0.1242 0.1242 0.8467 0.8467 0.8537 0.8537 6.6994 6.6994 6.7003 6.7003 k = 0.0000 0.2520 0.1966 ( 8104 PWs) bands (ev): -15.8485 -15.8485 -15.8485 -15.8485 -15.7180 -15.7180 -15.7179 -15.7179 -13.6619 -13.6619 -13.6619 -13.6619 -13.5679 -13.5679 -13.5676 -13.5676 -3.7580 -3.7580 -3.7488 -3.7488 -3.5138 -3.5138 -3.4962 -3.4962 -3.1542 -3.1542 -3.1388 -3.1388 -2.7848 -2.7848 -2.7830 -2.7830 -2.5241 -2.5241 -2.5142 -2.5142 -2.4987 -2.4987 -2.4952 -2.4952 -1.9259 -1.9259 -1.9134 -1.9134 -1.7609 -1.7609 -1.7254 -1.7254 -1.3435 -1.3435 -1.3172 -1.3172 -0.9950 -0.9950 -0.9912 -0.9912 -0.6625 -0.6625 -0.6582 -0.6582 -0.5506 -0.5506 -0.5324 -0.5324 -0.3265 -0.3265 -0.3112 -0.3112 -0.0427 -0.0427 -0.0328 -0.0328 -0.0129 -0.0129 -0.0037 -0.0037 0.1063 0.1063 0.1271 0.1271 0.8478 0.8478 0.8549 0.8549 6.7037 6.7037 6.7046 6.7046 k = 0.0000 0.2520 0.2082 ( 8118 PWs) bands (ev): -15.8478 -15.8478 -15.8478 -15.8478 -15.7188 -15.7188 -15.7187 -15.7187 -13.6619 -13.6619 -13.6619 -13.6619 -13.5679 -13.5679 -13.5676 -13.5676 -3.7581 -3.7581 -3.7487 -3.7487 -3.5133 -3.5133 -3.4953 -3.4953 -3.1516 -3.1516 -3.1358 -3.1358 -2.7844 -2.7844 -2.7825 -2.7825 -2.5233 -2.5233 -2.5150 -2.5150 -2.5048 -2.5048 -2.5033 -2.5033 -1.9258 -1.9258 -1.9129 -1.9129 -1.7580 -1.7580 -1.7221 -1.7221 -1.3396 -1.3396 -1.3117 -1.3117 -1.0054 -1.0054 -0.9996 -0.9996 -0.6563 -0.6563 -0.6515 -0.6515 -0.5555 -0.5555 -0.5371 -0.5371 -0.3270 -0.3270 -0.3127 -0.3127 -0.0411 -0.0411 -0.0321 -0.0321 -0.0142 -0.0142 -0.0045 -0.0045 0.1083 0.1083 0.1291 0.1291 0.8486 0.8486 0.8557 0.8557 6.7069 6.7069 6.7078 6.7078 k = 0.0000 0.2520 0.2198 ( 8122 PWs) bands (ev): -15.8474 -15.8474 -15.8474 -15.8474 -15.7193 -15.7193 -15.7191 -15.7191 -13.6619 -13.6619 -13.6619 -13.6619 -13.5678 -13.5678 -13.5675 -13.5675 -3.7581 -3.7581 -3.7486 -3.7486 -3.5129 -3.5129 -3.4947 -3.4947 -3.1500 -3.1500 -3.1339 -3.1339 -2.7841 -2.7841 -2.7822 -2.7822 -2.5223 -2.5223 -2.5163 -2.5163 -2.5086 -2.5086 -2.5077 -2.5077 -1.9257 -1.9257 -1.9126 -1.9126 -1.7563 -1.7563 -1.7202 -1.7202 -1.3370 -1.3370 -1.3081 -1.3081 -1.0120 -1.0120 -1.0049 -1.0049 -0.6521 -0.6521 -0.6470 -0.6470 -0.5588 -0.5588 -0.5403 -0.5403 -0.3273 -0.3273 -0.3136 -0.3136 -0.0402 -0.0402 -0.0318 -0.0318 -0.0148 -0.0148 -0.0048 -0.0048 0.1095 0.1095 0.1304 0.1304 0.8491 0.8491 0.8563 0.8563 6.7088 6.7088 6.7097 6.7097 k = 0.0000 0.2520 0.2313 ( 8132 PWs) bands (ev): -15.8472 -15.8472 -15.8472 -15.8472 -15.7194 -15.7194 -15.7193 -15.7193 -13.6619 -13.6619 -13.6619 -13.6619 -13.5678 -13.5678 -13.5675 -13.5675 -3.7581 -3.7581 -3.7485 -3.7485 -3.5128 -3.5128 -3.4945 -3.4945 -3.1495 -3.1495 -3.1333 -3.1333 -2.7841 -2.7841 -2.7821 -2.7821 -2.5218 -2.5218 -2.5170 -2.5170 -2.5106 -2.5106 -2.5085 -2.5085 -1.9256 -1.9256 -1.9125 -1.9125 -1.7557 -1.7557 -1.7195 -1.7195 -1.3362 -1.3362 -1.3069 -1.3069 -1.0142 -1.0142 -1.0067 -1.0067 -0.6506 -0.6506 -0.6454 -0.6454 -0.5600 -0.5600 -0.5414 -0.5414 -0.3274 -0.3274 -0.3139 -0.3139 -0.0399 -0.0399 -0.0317 -0.0317 -0.0150 -0.0150 -0.0049 -0.0049 0.1099 0.1099 0.1308 0.1308 0.8492 0.8492 0.8565 0.8565 6.7095 6.7095 6.7104 6.7104 k = 0.5000-0.0000 0.2313 ( 8140 PWs) bands (ev): -15.7900 -15.7900 -15.7900 -15.7900 -15.6615 -15.6615 -15.6615 -15.6615 -13.5154 -13.5154 -13.5154 -13.5154 -13.4453 -13.4453 -13.4453 -13.4453 -3.8466 -3.8466 -3.8466 -3.8466 -3.4498 -3.4498 -3.4498 -3.4498 -3.2497 -3.2497 -3.2497 -3.2497 -2.8668 -2.8668 -2.8668 -2.8668 -2.7957 -2.7957 -2.7957 -2.7957 -2.5584 -2.5584 -2.5584 -2.5584 -2.3541 -2.3541 -2.3541 -2.3541 -1.9099 -1.9099 -1.9099 -1.9099 -1.5255 -1.5255 -1.5255 -1.5255 -1.3076 -1.3076 -1.3076 -1.3076 -0.9320 -0.9320 -0.9320 -0.9320 -0.4098 -0.4098 -0.4098 -0.4098 -0.2693 -0.2693 -0.2693 -0.2693 -0.2456 -0.2456 -0.2456 -0.2456 -0.1317 -0.1317 -0.1317 -0.1317 -0.0113 -0.0113 -0.0113 -0.0113 0.7323 0.7323 0.7323 0.7323 7.1366 7.1366 7.1366 7.1366 k = 0.5000-0.0000 0.2198 ( 8128 PWs) bands (ev): -15.7931 -15.7931 -15.7870 -15.7870 -15.6633 -15.6633 -15.6595 -15.6595 -13.5182 -13.5182 -13.5126 -13.5126 -13.4454 -13.4454 -13.4452 -13.4452 -3.8476 -3.8476 -3.8457 -3.8457 -3.4590 -3.4590 -3.4418 -3.4418 -3.2611 -3.2611 -3.2384 -3.2384 -2.8673 -2.8673 -2.8662 -2.8662 -2.7987 -2.7987 -2.7917 -2.7917 -2.5674 -2.5674 -2.5503 -2.5503 -2.3580 -2.3580 -2.3487 -2.3487 -1.9107 -1.9107 -1.9083 -1.9083 -1.5349 -1.5349 -1.5158 -1.5158 -1.3207 -1.3207 -1.2936 -1.2936 -0.9546 -0.9546 -0.9097 -0.9097 -0.4176 -0.4176 -0.4021 -0.4021 -0.2743 -0.2743 -0.2669 -0.2669 -0.2529 -0.2529 -0.2373 -0.2373 -0.1422 -0.1422 -0.1219 -0.1219 -0.0378 -0.0378 0.0147 0.0147 0.7305 0.7305 0.7348 0.7348 7.1078 7.1078 7.1649 7.1649 k = 0.5000-0.0000 0.2082 ( 8116 PWs) bands (ev): -15.7962 -15.7962 -15.7840 -15.7840 -15.6651 -15.6651 -15.6576 -15.6576 -13.5209 -13.5209 -13.5099 -13.5099 -13.4455 -13.4455 -13.4450 -13.4450 -3.8487 -3.8487 -3.8447 -3.8447 -3.4692 -3.4692 -3.4352 -3.4352 -3.2726 -3.2726 -3.2272 -3.2272 -2.8677 -2.8677 -2.8655 -2.8655 -2.8006 -2.8006 -2.7869 -2.7869 -2.5768 -2.5768 -2.5435 -2.5435 -2.3599 -2.3599 -2.3419 -2.3419 -1.9109 -1.9109 -1.9061 -1.9061 -1.5438 -1.5438 -1.5058 -1.5058 -1.3328 -1.3328 -1.2786 -1.2786 -0.9773 -0.9773 -0.8880 -0.8880 -0.4252 -0.4252 -0.3946 -0.3946 -0.2808 -0.2808 -0.2695 -0.2695 -0.2566 -0.2566 -0.2289 -0.2289 -0.1531 -0.1531 -0.1128 -0.1128 -0.0643 -0.0643 0.0401 0.0401 0.7292 0.7292 0.7380 0.7380 7.0788 7.0788 7.1925 7.1925 k = 0.5000-0.0000 0.1966 ( 8114 PWs) bands (ev): -15.7993 -15.7993 -15.7811 -15.7811 -15.6669 -15.6669 -15.6556 -15.6556 -13.5236 -13.5236 -13.5071 -13.5071 -13.4457 -13.4457 -13.4449 -13.4449 -3.8498 -3.8498 -3.8439 -3.8439 -3.4802 -3.4802 -3.4300 -3.4300 -3.2840 -3.2840 -3.2162 -3.2162 -2.8682 -2.8682 -2.8648 -2.8648 -2.8011 -2.8011 -2.7813 -2.7813 -2.5863 -2.5863 -2.5383 -2.5383 -2.3596 -2.3596 -2.3342 -2.3342 -1.9105 -1.9105 -1.9031 -1.9031 -1.5525 -1.5525 -1.4953 -1.4953 -1.3441 -1.3441 -1.2626 -1.2626 -0.9998 -0.9998 -0.8671 -0.8671 -0.4324 -0.4324 -0.3877 -0.3877 -0.2882 -0.2882 -0.2767 -0.2767 -0.2576 -0.2576 -0.2208 -0.2208 -0.1642 -0.1642 -0.1062 -0.1062 -0.0890 -0.0890 0.0647 0.0647 0.7285 0.7285 0.7417 0.7417 7.0498 7.0498 7.2193 7.2193 k = 0.5000-0.0000 0.1851 ( 8116 PWs) bands (ev): -15.8024 -15.8024 -15.7783 -15.7783 -15.6685 -15.6685 -15.6536 -15.6536 -13.5263 -13.5263 -13.5045 -13.5045 -13.4458 -13.4458 -13.4448 -13.4448 -3.8509 -3.8509 -3.8431 -3.8431 -3.4919 -3.4919 -3.4264 -3.4264 -3.2953 -3.2953 -3.2055 -3.2055 -2.8690 -2.8690 -2.8640 -2.8640 -2.8002 -2.8002 -2.7753 -2.7753 -2.5955 -2.5955 -2.5350 -2.5350 -2.3571 -2.3571 -2.3257 -2.3257 -1.9096 -1.9096 -1.8993 -1.8993 -1.5608 -1.5608 -1.4845 -1.4845 -1.3546 -1.3546 -1.2455 -1.2455 -1.0219 -1.0219 -0.8473 -0.8473 -0.4391 -0.4391 -0.3821 -0.3821 -0.2963 -0.2963 -0.2853 -0.2853 -0.2588 -0.2588 -0.2136 -0.2136 -0.1748 -0.1748 -0.1196 -0.1196 -0.0935 -0.0935 0.0883 0.0883 0.7283 0.7283 0.7460 0.7460 7.0209 7.0209 7.2452 7.2452 k = 0.5000-0.0000 0.1735 ( 8120 PWs) bands (ev): -15.8054 -15.8054 -15.7757 -15.7757 -15.6699 -15.6699 -15.6516 -15.6516 -13.5289 -13.5289 -13.5019 -13.5019 -13.4460 -13.4460 -13.4448 -13.4448 -3.8521 -3.8521 -3.8424 -3.8424 -3.5039 -3.5039 -3.4243 -3.4243 -3.3064 -3.3064 -3.1950 -3.1950 -2.8701 -2.8701 -2.8633 -2.8633 -2.7979 -2.7979 -2.7688 -2.7688 -2.6041 -2.6041 -2.5334 -2.5334 -2.3526 -2.3526 -2.3167 -2.3167 -1.9083 -1.9083 -1.8947 -1.8947 -1.5689 -1.5689 -1.4733 -1.4733 -1.3643 -1.3643 -1.2274 -1.2274 -1.0434 -1.0434 -0.8290 -0.8290 -0.4452 -0.4452 -0.3786 -0.3786 -0.3045 -0.3045 -0.2944 -0.2944 -0.2612 -0.2612 -0.2094 -0.2094 -0.1830 -0.1830 -0.1432 -0.1432 -0.0871 -0.0871 0.1108 0.1108 0.7286 0.7286 0.7508 0.7508 6.9925 6.9925 7.2699 7.2699 k = 0.5000-0.0000 0.1619 ( 8104 PWs) bands (ev): -15.8084 -15.8084 -15.7732 -15.7732 -15.6713 -15.6713 -15.6497 -15.6497 -13.5314 -13.5314 -13.4993 -13.4993 -13.4462 -13.4462 -13.4447 -13.4447 -3.8533 -3.8533 -3.8417 -3.8417 -3.5160 -3.5160 -3.4235 -3.4235 -3.3171 -3.3171 -3.1848 -3.1848 -2.8718 -2.8718 -2.8626 -2.8626 -2.7942 -2.7942 -2.7622 -2.7622 -2.6118 -2.6118 -2.5334 -2.5334 -2.3464 -2.3464 -2.3074 -2.3074 -1.9066 -1.9066 -1.8893 -1.8893 -1.5769 -1.5769 -1.4620 -1.4620 -1.3732 -1.3732 -1.2080 -1.2080 -1.0641 -1.0641 -0.8123 -0.8123 -0.4506 -0.4506 -0.3785 -0.3785 -0.3124 -0.3124 -0.3035 -0.3035 -0.2649 -0.2649 -0.2124 -0.2124 -0.1843 -0.1843 -0.1652 -0.1652 -0.0808 -0.0808 0.1321 0.1321 0.7293 0.7293 0.7560 0.7560 6.9646 6.9646 7.2933 7.2933 k = 0.5000-0.0000 0.1504 ( 8102 PWs) bands (ev): -15.8112 -15.8112 -15.7709 -15.7709 -15.6725 -15.6725 -15.6478 -15.6478 -13.5338 -13.5338 -13.4969 -13.4969 -13.4463 -13.4463 -13.4446 -13.4446 -3.8544 -3.8544 -3.8412 -3.8412 -3.5281 -3.5281 -3.4240 -3.4240 -3.3276 -3.3276 -3.1750 -3.1750 -2.8739 -2.8739 -2.8620 -2.8620 -2.7895 -2.7895 -2.7555 -2.7555 -2.6186 -2.6186 -2.5345 -2.5345 -2.3389 -2.3389 -2.2979 -2.2979 -1.9046 -1.9046 -1.8830 -1.8830 -1.5846 -1.5846 -1.4505 -1.4505 -1.3814 -1.3814 -1.1876 -1.1876 -1.0838 -1.0838 -0.7977 -0.7977 -0.4552 -0.4552 -0.3834 -0.3834 -0.3200 -0.3200 -0.3115 -0.3115 -0.2698 -0.2698 -0.2218 -0.2218 -0.1852 -0.1852 -0.1785 -0.1785 -0.0751 -0.0751 0.1521 0.1521 0.7303 0.7303 0.7615 0.7615 6.9376 6.9376 7.3154 7.3154 k = 0.5000-0.0000 0.1388 ( 8090 PWs) bands (ev): -15.8139 -15.8139 -15.7688 -15.7688 -15.6736 -15.6736 -15.6460 -15.6460 -13.5360 -13.5360 -13.4945 -13.4945 -13.4465 -13.4465 -13.4446 -13.4446 -3.8556 -3.8556 -3.8407 -3.8407 -3.5400 -3.5400 -3.4256 -3.4256 -3.3376 -3.3376 -3.1656 -3.1656 -2.8764 -2.8764 -2.8616 -2.8616 -2.7839 -2.7839 -2.7489 -2.7489 -2.6242 -2.6242 -2.5365 -2.5365 -2.3307 -2.3307 -2.2884 -2.2884 -1.9024 -1.9024 -1.8760 -1.8760 -1.5923 -1.5923 -1.4390 -1.4390 -1.3888 -1.3888 -1.1661 -1.1661 -1.1021 -1.1021 -0.7852 -0.7852 -0.4590 -0.4590 -0.3946 -0.3946 -0.3277 -0.3277 -0.3173 -0.3173 -0.2756 -0.2756 -0.2333 -0.2333 -0.1993 -0.1993 -0.1725 -0.1725 -0.0701 -0.0701 0.1709 0.1709 0.7315 0.7315 0.7672 0.7672 6.9116 6.9116 7.3360 7.3360 k = 0.5000-0.0000 0.1272 ( 8070 PWs) bands (ev): -15.8165 -15.8165 -15.7668 -15.7668 -15.6745 -15.6745 -15.6442 -15.6442 -13.5382 -13.5382 -13.4923 -13.4923 -13.4466 -13.4466 -13.4445 -13.4445 -3.8567 -3.8567 -3.8403 -3.8403 -3.5515 -3.5515 -3.4280 -3.4280 -3.3470 -3.3470 -3.1566 -3.1566 -2.8793 -2.8793 -2.8613 -2.8613 -2.7779 -2.7779 -2.7425 -2.7425 -2.6288 -2.6288 -2.5388 -2.5388 -2.3222 -2.3222 -2.2790 -2.2790 -1.9000 -1.9000 -1.8682 -1.8682 -1.5999 -1.5999 -1.4277 -1.4277 -1.3954 -1.3954 -1.1442 -1.1442 -1.1184 -1.1184 -0.7751 -0.7751 -0.4619 -0.4619 -0.4121 -0.4121 -0.3350 -0.3350 -0.3214 -0.3214 -0.2823 -0.2823 -0.2456 -0.2456 -0.2092 -0.2092 -0.1657 -0.1657 -0.0658 -0.0658 0.1883 0.1883 0.7330 0.7330 0.7730 0.7730 6.8869 6.8869 7.3551 7.3551 k = 0.5000-0.0000 0.1157 ( 8072 PWs) bands (ev): -15.8189 -15.8189 -15.7651 -15.7651 -15.6753 -15.6753 -15.6426 -15.6426 -13.5402 -13.5402 -13.4903 -13.4903 -13.4468 -13.4468 -13.4445 -13.4445 -3.8578 -3.8578 -3.8399 -3.8399 -3.5624 -3.5624 -3.4311 -3.4311 -3.3560 -3.3560 -3.1481 -3.1481 -2.8825 -2.8825 -2.8613 -2.8613 -2.7718 -2.7718 -2.7362 -2.7362 -2.6323 -2.6323 -2.5414 -2.5414 -2.3138 -2.3138 -2.2699 -2.2699 -1.8976 -1.8976 -1.8596 -1.8596 -1.6075 -1.6075 -1.4174 -1.4174 -1.4008 -1.4008 -1.1379 -1.1379 -1.1164 -1.1164 -0.7675 -0.7675 -0.4639 -0.4639 -0.4349 -0.4349 -0.3412 -0.3412 -0.3251 -0.3251 -0.2898 -0.2898 -0.2581 -0.2581 -0.2148 -0.2148 -0.1590 -0.1590 -0.0622 -0.0622 0.2043 0.2043 0.7345 0.7345 0.7787 0.7787 6.8636 6.8636 7.3725 7.3725 k = 0.5000-0.0000 0.1041 ( 8086 PWs) bands (ev): -15.8212 -15.8212 -15.7636 -15.7636 -15.6759 -15.6759 -15.6411 -15.6411 -13.5420 -13.5420 -13.4884 -13.4884 -13.4469 -13.4469 -13.4445 -13.4445 -3.8589 -3.8589 -3.8396 -3.8396 -3.5727 -3.5727 -3.4346 -3.4346 -3.3643 -3.3643 -3.1402 -3.1402 -2.8858 -2.8858 -2.8614 -2.8614 -2.7660 -2.7660 -2.7302 -2.7302 -2.6349 -2.6349 -2.5438 -2.5438 -2.3057 -2.3057 -2.2611 -2.2611 -1.8953 -1.8953 -1.8504 -1.8504 -1.6152 -1.6152 -1.4116 -1.4116 -1.4015 -1.4015 -1.1507 -1.1507 -1.0925 -1.0925 -0.7622 -0.7622 -0.4663 -0.4663 -0.4602 -0.4602 -0.3459 -0.3459 -0.3290 -0.3290 -0.2979 -0.2979 -0.2702 -0.2702 -0.2166 -0.2166 -0.1526 -0.1526 -0.0592 -0.0592 0.2189 0.2189 0.7361 0.7361 0.7844 0.7844 6.8419 6.8419 7.3884 7.3884 k = 0.5000-0.0000 0.0925 ( 8102 PWs) bands (ev): -15.8232 -15.8232 -15.7623 -15.7623 -15.6765 -15.6765 -15.6397 -15.6397 -13.5437 -13.5437 -13.4866 -13.4866 -13.4471 -13.4471 -13.4445 -13.4445 -3.8599 -3.8599 -3.8395 -3.8395 -3.5822 -3.5822 -3.4383 -3.4383 -3.3720 -3.3720 -3.1329 -3.1329 -2.8891 -2.8891 -2.8616 -2.8616 -2.7607 -2.7607 -2.7244 -2.7244 -2.6367 -2.6367 -2.5460 -2.5460 -2.2982 -2.2982 -2.2527 -2.2527 -1.8930 -1.8930 -1.8407 -1.8407 -1.6228 -1.6228 -1.4142 -1.4142 -1.3939 -1.3939 -1.1628 -1.1628 -1.0666 -1.0666 -0.7592 -0.7592 -0.4916 -0.4916 -0.4643 -0.4643 -0.3491 -0.3491 -0.3337 -0.3337 -0.3061 -0.3061 -0.2819 -0.2819 -0.2159 -0.2159 -0.1466 -0.1466 -0.0569 -0.0569 0.2320 0.2320 0.7377 0.7377 0.7897 0.7897 6.8220 6.8220 7.4025 7.4025 k = 0.5000-0.0000 0.0810 ( 8112 PWs) bands (ev): -15.8251 -15.8251 -15.7611 -15.7611 -15.6769 -15.6769 -15.6384 -15.6384 -13.5453 -13.5453 -13.4851 -13.4851 -13.4472 -13.4472 -13.4445 -13.4445 -3.8609 -3.8609 -3.8393 -3.8393 -3.5908 -3.5908 -3.4421 -3.4421 -3.3789 -3.3789 -3.1262 -3.1262 -2.8923 -2.8923 -2.8620 -2.8620 -2.7562 -2.7562 -2.7190 -2.7190 -2.6377 -2.6377 -2.5478 -2.5478 -2.2914 -2.2914 -2.2451 -2.2451 -1.8909 -1.8909 -1.8307 -1.8307 -1.6305 -1.6305 -1.4181 -1.4181 -1.3855 -1.3855 -1.1732 -1.1732 -1.0397 -1.0397 -0.7580 -0.7580 -0.5226 -0.5226 -0.4636 -0.4636 -0.3510 -0.3510 -0.3393 -0.3393 -0.3139 -0.3139 -0.2926 -0.2926 -0.2135 -0.2135 -0.1412 -0.1412 -0.0551 -0.0551 0.2437 0.2437 0.7392 0.7392 0.7947 0.7947 6.8041 6.8041 7.4150 7.4150 k = 0.5000-0.0000 0.0694 ( 8112 PWs) bands (ev): -15.8267 -15.8267 -15.7602 -15.7602 -15.6772 -15.6772 -15.6373 -15.6373 -13.5466 -13.5466 -13.4837 -13.4837 -13.4473 -13.4473 -13.4445 -13.4445 -3.8617 -3.8617 -3.8392 -3.8392 -3.5984 -3.5984 -3.4456 -3.4456 -3.3850 -3.3850 -3.1203 -3.1203 -2.8953 -2.8953 -2.8624 -2.8624 -2.7524 -2.7524 -2.7140 -2.7140 -2.6382 -2.6382 -2.5493 -2.5493 -2.2854 -2.2854 -2.2381 -2.2381 -1.8889 -1.8889 -1.8205 -1.8205 -1.6381 -1.6381 -1.4217 -1.4217 -1.3778 -1.3778 -1.1817 -1.1817 -1.0120 -1.0120 -0.7584 -0.7584 -0.5544 -0.5544 -0.4619 -0.4619 -0.3519 -0.3519 -0.3458 -0.3458 -0.3210 -0.3210 -0.3020 -0.3020 -0.2102 -0.2102 -0.1364 -0.1364 -0.0537 -0.0537 0.2538 0.2538 0.7406 0.7406 0.7993 0.7993 6.7883 6.7883 7.4259 7.4259 k = 0.5000-0.0000 0.0578 ( 8116 PWs) bands (ev): -15.8281 -15.8281 -15.7594 -15.7594 -15.6774 -15.6774 -15.6363 -15.6363 -13.5477 -13.5477 -13.4825 -13.4825 -13.4474 -13.4474 -13.4445 -13.4445 -3.8624 -3.8624 -3.8391 -3.8391 -3.6049 -3.6049 -3.4488 -3.4488 -3.3902 -3.3902 -3.1152 -3.1152 -2.8980 -2.8980 -2.8628 -2.8628 -2.7494 -2.7494 -2.7097 -2.7097 -2.6382 -2.6382 -2.5503 -2.5503 -2.2803 -2.2803 -2.2320 -2.2320 -1.8872 -1.8872 -1.8105 -1.8105 -1.6456 -1.6456 -1.4248 -1.4248 -1.3714 -1.3714 -1.1885 -1.1885 -0.9840 -0.9840 -0.7599 -0.7599 -0.5863 -0.5863 -0.4595 -0.4595 -0.3542 -0.3542 -0.3508 -0.3508 -0.3273 -0.3273 -0.3098 -0.3098 -0.2066 -0.2066 -0.1323 -0.1323 -0.0528 -0.0528 0.2624 0.2624 0.7419 0.7419 0.8033 0.8033 6.7747 6.7747 7.4350 7.4350 k = 0.5000-0.0000 0.0463 ( 8120 PWs) bands (ev): -15.8293 -15.8293 -15.7588 -15.7588 -15.6776 -15.6776 -15.6355 -15.6355 -13.5487 -13.5487 -13.4815 -13.4815 -13.4475 -13.4475 -13.4445 -13.4445 -3.8631 -3.8631 -3.8391 -3.8391 -3.6102 -3.6102 -3.4516 -3.4516 -3.3946 -3.3946 -3.1109 -3.1109 -2.9004 -2.9004 -2.8632 -2.8632 -2.7471 -2.7471 -2.7060 -2.7060 -2.6380 -2.6380 -2.5511 -2.5511 -2.2761 -2.2761 -2.2269 -2.2269 -1.8858 -1.8858 -1.8010 -1.8010 -1.6527 -1.6527 -1.4273 -1.4273 -1.3663 -1.3663 -1.1935 -1.1935 -0.9563 -0.9563 -0.7621 -0.7621 -0.6174 -0.6174 -0.4566 -0.4566 -0.3612 -0.3612 -0.3508 -0.3508 -0.3331 -0.3331 -0.3158 -0.3158 -0.2032 -0.2032 -0.1288 -0.1288 -0.0522 -0.0522 0.2694 0.2694 0.7429 0.7429 0.8067 0.8067 6.7634 6.7634 7.4425 7.4425 k = 0.5000-0.0000 0.0347 ( 8120 PWs) bands (ev): -15.8302 -15.8302 -15.7583 -15.7583 -15.6777 -15.6777 -15.6349 -15.6349 -13.5494 -13.5494 -13.4808 -13.4808 -13.4476 -13.4476 -13.4445 -13.4445 -3.8636 -3.8636 -3.8391 -3.8391 -3.6145 -3.6145 -3.4539 -3.4539 -3.3980 -3.3980 -3.1075 -3.1075 -2.9023 -2.9023 -2.8636 -2.8636 -2.7453 -2.7453 -2.7031 -2.7031 -2.6377 -2.6377 -2.5516 -2.5516 -2.2728 -2.2728 -2.2229 -2.2229 -1.8846 -1.8846 -1.7925 -1.7925 -1.6591 -1.6591 -1.4293 -1.4293 -1.3625 -1.3625 -1.1970 -1.1970 -0.9298 -0.9298 -0.7646 -0.7646 -0.6463 -0.6463 -0.4534 -0.4534 -0.3682 -0.3682 -0.3501 -0.3501 -0.3380 -0.3380 -0.3201 -0.3201 -0.2002 -0.2002 -0.1261 -0.1261 -0.0519 -0.0519 0.2749 0.2749 0.7438 0.7438 0.8094 0.8094 6.7545 6.7545 7.4483 7.4483 k = 0.5000-0.0000 0.0231 ( 8132 PWs) bands (ev): -15.8308 -15.8308 -15.7580 -15.7580 -15.6777 -15.6777 -15.6345 -15.6345 -13.5499 -13.5499 -13.4802 -13.4802 -13.4476 -13.4476 -13.4445 -13.4445 -3.8640 -3.8640 -3.8391 -3.8391 -3.6175 -3.6175 -3.4556 -3.4556 -3.4005 -3.4005 -3.1051 -3.1051 -2.9037 -2.9037 -2.8639 -2.8639 -2.7442 -2.7442 -2.7011 -2.7011 -2.6374 -2.6374 -2.5519 -2.5519 -2.2704 -2.2704 -2.2199 -2.2199 -1.8838 -1.8838 -1.7857 -1.7857 -1.6644 -1.6644 -1.4307 -1.4307 -1.3599 -1.3599 -1.1992 -1.1992 -0.9062 -0.9062 -0.7672 -0.7672 -0.6711 -0.6711 -0.4505 -0.4505 -0.3741 -0.3741 -0.3494 -0.3494 -0.3419 -0.3419 -0.3228 -0.3228 -0.1979 -0.1979 -0.1241 -0.1241 -0.0517 -0.0517 0.2789 0.2789 0.7444 0.7444 0.8113 0.8113 6.7481 6.7481 7.4524 7.4524 k = 0.5000-0.0000 0.0116 ( 8132 PWs) bands (ev): -15.8312 -15.8312 -15.7578 -15.7578 -15.6778 -15.6778 -15.6342 -15.6342 -13.5503 -13.5503 -13.4799 -13.4799 -13.4477 -13.4477 -13.4445 -13.4445 -3.8642 -3.8642 -3.8391 -3.8391 -3.6194 -3.6194 -3.4566 -3.4566 -3.4020 -3.4020 -3.1036 -3.1036 -2.9045 -2.9045 -2.8641 -2.8641 -2.7435 -2.7435 -2.6998 -2.6998 -2.6371 -2.6371 -2.5521 -2.5521 -2.2690 -2.2690 -2.2181 -2.2181 -1.8833 -1.8833 -1.7812 -1.7812 -1.6679 -1.6679 -1.4315 -1.4315 -1.3584 -1.3584 -1.2005 -1.2005 -0.8889 -0.8889 -0.7694 -0.7694 -0.6887 -0.6887 -0.4484 -0.4484 -0.3781 -0.3781 -0.3489 -0.3489 -0.3443 -0.3443 -0.3244 -0.3244 -0.1965 -0.1965 -0.1230 -0.1230 -0.0516 -0.0516 0.2812 0.2812 0.7448 0.7448 0.8125 0.8125 6.7443 6.7443 7.4549 7.4549 k = 0.5000-0.0000-0.0000 ( 8132 PWs) bands (ev): -15.8313 -15.8313 -15.7578 -15.7578 -15.6778 -15.6778 -15.6341 -15.6341 -13.5504 -13.5504 -13.4798 -13.4798 -13.4477 -13.4477 -13.4445 -13.4445 -3.8643 -3.8643 -3.8391 -3.8391 -3.6200 -3.6200 -3.4570 -3.4570 -3.4025 -3.4025 -3.1032 -3.1032 -2.9048 -2.9048 -2.8642 -2.8642 -2.7433 -2.7433 -2.6994 -2.6994 -2.6370 -2.6370 -2.5521 -2.5521 -2.2686 -2.2686 -2.2175 -2.2175 -1.8831 -1.8831 -1.7796 -1.7796 -1.6692 -1.6692 -1.4318 -1.4318 -1.3579 -1.3579 -1.2009 -1.2009 -0.8823 -0.8823 -0.7704 -0.7704 -0.6951 -0.6951 -0.4476 -0.4476 -0.3795 -0.3795 -0.3487 -0.3487 -0.3452 -0.3452 -0.3249 -0.3249 -0.1960 -0.1960 -0.1226 -0.1226 -0.0516 -0.0516 0.2820 0.2820 0.7449 0.7449 0.8129 0.8129 6.7430 6.7430 7.4557 7.4557 k = 0.5000 0.2520-0.0000 ( 8080 PWs) bands (ev): -15.7951 -15.7951 -15.7951 -15.7951 -15.6560 -15.6560 -15.6560 -15.6560 -13.5014 -13.5014 -13.5014 -13.5014 -13.4593 -13.4593 -13.4593 -13.4593 -3.9680 -3.9680 -3.9680 -3.9680 -3.5526 -3.5526 -3.5526 -3.5526 -3.2567 -3.2567 -3.2567 -3.2567 -2.8131 -2.8131 -2.8131 -2.8131 -2.6282 -2.6282 -2.6282 -2.6282 -2.5024 -2.5024 -2.5024 -2.5024 -2.2370 -2.2370 -2.2370 -2.2370 -1.8381 -1.8381 -1.8381 -1.8381 -1.5965 -1.5965 -1.5965 -1.5965 -1.3205 -1.3205 -1.3205 -1.3205 -0.8783 -0.8783 -0.8783 -0.8783 -0.4454 -0.4454 -0.4454 -0.4454 -0.3889 -0.3889 -0.3889 -0.3889 -0.2237 -0.2237 -0.2237 -0.2237 -0.1040 -0.1040 -0.1040 -0.1040 -0.0137 -0.0137 -0.0137 -0.0137 0.5981 0.5981 0.5981 0.5981 6.9104 6.9104 6.9104 6.9104 k = 0.5000 0.2520 0.0116 ( 8080 PWs) bands (ev): -15.7950 -15.7950 -15.7950 -15.7950 -15.6561 -15.6561 -15.6561 -15.6561 -13.5014 -13.5014 -13.5014 -13.5014 -13.4593 -13.4593 -13.4593 -13.4593 -3.9682 -3.9682 -3.9679 -3.9679 -3.5533 -3.5533 -3.5509 -3.5509 -3.2583 -3.2583 -3.2547 -3.2547 -2.8131 -2.8131 -2.8127 -2.8127 -2.6282 -2.6282 -2.6281 -2.6281 -2.5033 -2.5033 -2.5025 -2.5025 -2.2396 -2.2396 -2.2375 -2.2375 -1.8384 -1.8384 -1.8380 -1.8380 -1.5968 -1.5968 -1.5938 -1.5938 -1.3208 -1.3208 -1.3190 -1.3190 -0.8794 -0.8794 -0.8779 -0.8779 -0.4495 -0.4495 -0.4484 -0.4484 -0.3883 -0.3883 -0.3851 -0.3851 -0.2251 -0.2251 -0.2231 -0.2231 -0.1046 -0.1046 -0.1026 -0.1026 -0.0139 -0.0139 -0.0127 -0.0127 0.5981 0.5981 0.5991 0.5991 6.9109 6.9109 6.9109 6.9109 k = 0.5000 0.2520 0.0231 ( 8076 PWs) bands (ev): -15.7948 -15.7948 -15.7948 -15.7948 -15.6563 -15.6563 -15.6563 -15.6563 -13.5012 -13.5012 -13.5012 -13.5012 -13.4595 -13.4595 -13.4594 -13.4594 -3.9684 -3.9684 -3.9678 -3.9678 -3.5532 -3.5532 -3.5482 -3.5482 -3.2595 -3.2595 -3.2524 -3.2524 -2.8126 -2.8126 -2.8119 -2.8119 -2.6280 -2.6280 -2.6279 -2.6279 -2.5050 -2.5050 -2.5034 -2.5034 -2.2452 -2.2452 -2.2411 -2.2411 -1.8387 -1.8387 -1.8379 -1.8379 -1.5947 -1.5947 -1.5888 -1.5888 -1.3198 -1.3198 -1.3161 -1.3161 -0.8813 -0.8813 -0.8783 -0.8783 -0.4596 -0.4596 -0.4568 -0.4568 -0.3842 -0.3842 -0.3786 -0.3786 -0.2272 -0.2272 -0.2233 -0.2233 -0.1044 -0.1044 -0.1006 -0.1006 -0.0133 -0.0133 -0.0109 -0.0109 0.5993 0.5993 0.6013 0.6013 6.9123 6.9123 6.9124 6.9124 k = 0.5000 0.2520 0.0347 ( 8084 PWs) bands (ev): -15.7945 -15.7945 -15.7945 -15.7945 -15.6567 -15.6567 -15.6567 -15.6567 -13.5010 -13.5010 -13.5009 -13.5009 -13.4597 -13.4597 -13.4597 -13.4597 -3.9687 -3.9687 -3.9677 -3.9677 -3.5521 -3.5521 -3.5447 -3.5447 -3.2603 -3.2603 -3.2496 -3.2496 -2.8117 -2.8117 -2.8107 -2.8107 -2.6277 -2.6277 -2.6275 -2.6275 -2.5078 -2.5078 -2.5053 -2.5053 -2.2536 -2.2536 -2.2476 -2.2476 -1.8390 -1.8390 -1.8378 -1.8378 -1.5904 -1.5904 -1.5818 -1.5818 -1.3174 -1.3174 -1.3119 -1.3119 -0.8841 -0.8841 -0.8796 -0.8796 -0.4736 -0.4736 -0.4684 -0.4684 -0.3788 -0.3788 -0.3716 -0.3716 -0.2299 -0.2299 -0.2242 -0.2242 -0.1037 -0.1037 -0.0981 -0.0981 -0.0118 -0.0118 -0.0082 -0.0082 0.6016 0.6016 0.6045 0.6045 6.9147 6.9147 6.9147 6.9147 k = 0.5000 0.2520 0.0463 ( 8100 PWs) bands (ev): -15.7941 -15.7941 -15.7941 -15.7941 -15.6572 -15.6572 -15.6572 -15.6572 -13.5006 -13.5006 -13.5006 -13.5006 -13.4601 -13.4601 -13.4600 -13.4600 -3.9690 -3.9690 -3.9677 -3.9677 -3.5501 -3.5501 -3.5402 -3.5402 -3.2607 -3.2607 -3.2466 -3.2466 -2.8104 -2.8104 -2.8091 -2.8091 -2.6273 -2.6273 -2.6271 -2.6271 -2.5114 -2.5114 -2.5080 -2.5080 -2.2642 -2.2642 -2.2568 -2.2568 -1.8395 -1.8395 -1.8376 -1.8376 -1.5841 -1.5841 -1.5730 -1.5730 -1.3138 -1.3138 -1.3066 -1.3066 -0.8877 -0.8877 -0.8817 -0.8817 -0.4896 -0.4896 -0.4818 -0.4818 -0.3732 -0.3732 -0.3652 -0.3652 -0.2328 -0.2328 -0.2256 -0.2256 -0.1026 -0.1026 -0.0954 -0.0954 -0.0094 -0.0094 -0.0048 -0.0048 0.6048 0.6048 0.6086 0.6086 6.9179 6.9179 6.9180 6.9180 k = 0.5000 0.2520 0.0578 ( 8108 PWs) bands (ev): -15.7935 -15.7935 -15.7935 -15.7935 -15.6578 -15.6578 -15.6578 -15.6578 -13.5002 -13.5002 -13.5002 -13.5002 -13.4605 -13.4605 -13.4604 -13.4604 -3.9693 -3.9693 -3.9677 -3.9677 -3.5474 -3.5474 -3.5350 -3.5350 -3.2608 -3.2608 -3.2431 -3.2431 -2.8087 -2.8087 -2.8071 -2.8071 -2.6267 -2.6267 -2.6265 -2.6265 -2.5160 -2.5160 -2.5116 -2.5116 -2.2768 -2.2768 -2.2682 -2.2682 -1.8399 -1.8399 -1.8375 -1.8375 -1.5761 -1.5761 -1.5629 -1.5629 -1.3088 -1.3088 -1.3001 -1.3001 -0.8923 -0.8923 -0.8848 -0.8848 -0.5069 -0.5069 -0.4963 -0.4963 -0.3683 -0.3683 -0.3601 -0.3601 -0.2358 -0.2358 -0.2274 -0.2274 -0.1014 -0.1014 -0.0929 -0.0929 -0.0060 -0.0060 -0.0004 -0.0004 0.6090 0.6090 0.6135 0.6135 6.9219 6.9219 6.9221 6.9221 k = 0.5000 0.2520 0.0694 ( 8096 PWs) bands (ev): -15.7928 -15.7928 -15.7928 -15.7928 -15.6586 -15.6586 -15.6585 -15.6585 -13.4997 -13.4997 -13.4997 -13.4997 -13.4610 -13.4610 -13.4609 -13.4609 -3.9696 -3.9696 -3.9678 -3.9678 -3.5439 -3.5439 -3.5290 -3.5290 -3.2606 -3.2606 -3.2394 -3.2394 -2.8066 -2.8066 -2.8048 -2.8048 -2.6261 -2.6261 -2.6258 -2.6258 -2.5216 -2.5216 -2.5161 -2.5161 -2.2908 -2.2908 -2.2814 -2.2814 -1.8403 -1.8403 -1.8373 -1.8373 -1.5668 -1.5668 -1.5517 -1.5517 -1.3026 -1.3026 -1.2924 -1.2924 -0.8977 -0.8977 -0.8888 -0.8888 -0.5248 -0.5248 -0.5115 -0.5115 -0.3642 -0.3642 -0.3564 -0.3564 -0.2389 -0.2389 -0.2293 -0.2293 -0.1002 -0.1002 -0.0907 -0.0907 -0.0016 -0.0016 0.0048 0.0048 0.6138 0.6138 0.6192 0.6192 6.9266 6.9266 6.9268 6.9268 k = 0.5000 0.2520 0.0810 ( 8092 PWs) bands (ev): -15.7921 -15.7921 -15.7921 -15.7921 -15.6594 -15.6594 -15.6593 -15.6593 -13.4991 -13.4991 -13.4991 -13.4991 -13.4615 -13.4615 -13.4614 -13.4614 -3.9700 -3.9700 -3.9678 -3.9678 -3.5397 -3.5397 -3.5224 -3.5224 -3.2601 -3.2601 -3.2354 -3.2354 -2.8041 -2.8041 -2.8021 -2.8021 -2.6255 -2.6255 -2.6251 -2.6251 -2.5282 -2.5282 -2.5214 -2.5214 -2.3056 -2.3056 -2.2957 -2.2957 -1.8408 -1.8408 -1.8370 -1.8370 -1.5566 -1.5566 -1.5400 -1.5400 -1.2953 -1.2953 -1.2837 -1.2837 -0.9042 -0.9042 -0.8938 -0.8938 -0.5427 -0.5427 -0.5268 -0.5268 -0.3609 -0.3609 -0.3539 -0.3539 -0.2419 -0.2419 -0.2315 -0.2315 -0.0992 -0.0992 -0.0888 -0.0888 0.0035 0.0035 0.0106 0.0106 0.6193 0.6193 0.6254 0.6254 6.9320 6.9320 6.9322 6.9322 k = 0.5000 0.2520 0.0925 ( 8100 PWs) bands (ev): -15.7912 -15.7912 -15.7912 -15.7912 -15.6603 -15.6603 -15.6602 -15.6602 -13.4984 -13.4984 -13.4984 -13.4984 -13.4622 -13.4622 -13.4620 -13.4620 -3.9704 -3.9704 -3.9680 -3.9680 -3.5349 -3.5349 -3.5152 -3.5152 -3.2593 -3.2593 -3.2312 -3.2312 -2.8013 -2.8013 -2.7992 -2.7992 -2.6250 -2.6250 -2.6244 -2.6244 -2.5357 -2.5357 -2.5274 -2.5274 -2.3208 -2.3208 -2.3108 -2.3108 -1.8412 -1.8412 -1.8366 -1.8366 -1.5458 -1.5458 -1.5279 -1.5279 -1.2868 -1.2868 -1.2741 -1.2741 -0.9118 -0.9118 -0.8999 -0.8999 -0.5604 -0.5604 -0.5420 -0.5420 -0.3585 -0.3585 -0.3527 -0.3527 -0.2450 -0.2450 -0.2338 -0.2338 -0.0982 -0.0982 -0.0874 -0.0874 0.0092 0.0092 0.0170 0.0170 0.6252 0.6252 0.6319 0.6319 6.9379 6.9379 6.9382 6.9382 k = 0.5000 0.2520 0.1041 ( 8108 PWs) bands (ev): -15.7903 -15.7903 -15.7903 -15.7903 -15.6613 -15.6613 -15.6612 -15.6612 -13.4977 -13.4977 -13.4977 -13.4977 -13.4629 -13.4629 -13.4627 -13.4627 -3.9707 -3.9707 -3.9681 -3.9681 -3.5297 -3.5297 -3.5076 -3.5076 -3.2584 -3.2584 -3.2270 -3.2270 -2.7982 -2.7982 -2.7960 -2.7960 -2.6245 -2.6245 -2.6237 -2.6237 -2.5440 -2.5440 -2.5341 -2.5341 -2.3360 -2.3360 -2.3262 -2.3262 -1.8416 -1.8416 -1.8362 -1.8362 -1.5346 -1.5346 -1.5158 -1.5158 -1.2774 -1.2774 -1.2636 -1.2636 -0.9204 -0.9204 -0.9073 -0.9073 -0.5774 -0.5774 -0.5567 -0.5567 -0.3569 -0.3569 -0.3524 -0.3524 -0.2480 -0.2480 -0.2362 -0.2362 -0.0973 -0.0973 -0.0863 -0.0863 0.0153 0.0153 0.0236 0.0236 0.6314 0.6314 0.6387 0.6387 6.9441 6.9441 6.9445 6.9445 k = 0.5000 0.2520 0.1157 ( 8100 PWs) bands (ev): -15.7894 -15.7894 -15.7894 -15.7894 -15.6623 -15.6623 -15.6622 -15.6622 -13.4969 -13.4969 -13.4969 -13.4969 -13.4636 -13.4636 -13.4635 -13.4635 -3.9711 -3.9711 -3.9682 -3.9682 -3.5242 -3.5242 -3.4997 -3.4997 -3.2573 -3.2573 -3.2226 -3.2226 -2.7949 -2.7949 -2.7927 -2.7927 -2.6243 -2.6243 -2.6232 -2.6232 -2.5531 -2.5531 -2.5413 -2.5413 -2.3506 -2.3506 -2.3413 -2.3413 -1.8419 -1.8419 -1.8358 -1.8358 -1.5235 -1.5235 -1.5040 -1.5040 -1.2670 -1.2670 -1.2524 -1.2524 -0.9301 -0.9301 -0.9157 -0.9157 -0.5935 -0.5935 -0.5707 -0.5707 -0.3558 -0.3558 -0.3528 -0.3528 -0.2512 -0.2512 -0.2387 -0.2387 -0.0964 -0.0964 -0.0854 -0.0854 0.0216 0.0216 0.0303 0.0303 0.6377 0.6377 0.6455 0.6455 6.9506 6.9506 6.9510 6.9510 k = 0.5000 0.2520 0.1272 ( 8100 PWs) bands (ev): -15.7885 -15.7885 -15.7885 -15.7885 -15.6633 -15.6633 -15.6632 -15.6632 -13.4961 -13.4961 -13.4961 -13.4961 -13.4644 -13.4644 -13.4642 -13.4642 -3.9714 -3.9714 -3.9684 -3.9684 -3.5185 -3.5185 -3.4916 -3.4916 -3.2561 -3.2561 -3.2182 -3.2182 -2.7913 -2.7913 -2.7892 -2.7892 -2.6245 -2.6245 -2.6230 -2.6230 -2.5626 -2.5626 -2.5486 -2.5486 -2.3644 -2.3644 -2.3558 -2.3558 -1.8422 -1.8422 -1.8353 -1.8353 -1.5126 -1.5126 -1.4926 -1.4926 -1.2560 -1.2560 -1.2405 -1.2405 -0.9409 -0.9409 -0.9254 -0.9254 -0.6083 -0.6083 -0.5837 -0.5837 -0.3552 -0.3552 -0.3537 -0.3537 -0.2544 -0.2544 -0.2412 -0.2412 -0.0955 -0.0955 -0.0846 -0.0846 0.0278 0.0278 0.0369 0.0369 0.6440 0.6440 0.6522 0.6522 6.9571 6.9571 6.9576 6.9576 k = 0.5000 0.2520 0.1388 ( 8108 PWs) bands (ev): -15.7875 -15.7875 -15.7875 -15.7875 -15.6643 -15.6643 -15.6642 -15.6642 -13.4953 -13.4953 -13.4952 -13.4952 -13.4652 -13.4652 -13.4650 -13.4650 -3.9718 -3.9718 -3.9686 -3.9686 -3.5128 -3.5128 -3.4837 -3.4837 -3.2548 -3.2548 -3.2138 -3.2138 -2.7877 -2.7877 -2.7858 -2.7858 -2.6252 -2.6252 -2.6232 -2.6232 -2.5722 -2.5722 -2.5558 -2.5558 -2.3770 -2.3770 -2.3694 -2.3694 -1.8425 -1.8425 -1.8348 -1.8348 -1.5022 -1.5022 -1.4819 -1.4819 -1.2444 -1.2444 -1.2281 -1.2281 -0.9526 -0.9526 -0.9361 -0.9361 -0.6216 -0.6216 -0.5956 -0.5956 -0.3550 -0.3550 -0.3548 -0.3548 -0.2577 -0.2577 -0.2439 -0.2439 -0.0945 -0.0945 -0.0840 -0.0840 0.0339 0.0339 0.0432 0.0432 0.6500 0.6500 0.6586 0.6586 6.9635 6.9635 6.9641 6.9641 k = 0.5000 0.2520 0.1504 ( 8096 PWs) bands (ev): -15.7866 -15.7866 -15.7866 -15.7866 -15.6653 -15.6653 -15.6652 -15.6652 -13.4944 -13.4944 -13.4944 -13.4944 -13.4661 -13.4661 -13.4658 -13.4658 -3.9721 -3.9721 -3.9687 -3.9687 -3.5072 -3.5072 -3.4760 -3.4760 -3.2535 -3.2535 -3.2097 -3.2097 -2.7840 -2.7840 -2.7824 -2.7824 -2.6265 -2.6265 -2.6242 -2.6242 -2.5813 -2.5813 -2.5625 -2.5625 -2.3883 -2.3883 -2.3818 -2.3818 -1.8427 -1.8427 -1.8344 -1.8344 -1.4924 -1.4924 -1.4720 -1.4720 -1.2324 -1.2324 -1.2153 -1.2153 -0.9651 -0.9651 -0.9477 -0.9477 -0.6334 -0.6334 -0.6061 -0.6061 -0.3561 -0.3561 -0.3550 -0.3550 -0.2610 -0.2610 -0.2465 -0.2465 -0.0935 -0.0935 -0.0833 -0.0833 0.0395 0.0395 0.0491 0.0491 0.6557 0.6557 0.6646 0.6646 6.9697 6.9697 6.9703 6.9703 k = 0.5000 0.2520 0.1619 ( 8108 PWs) bands (ev): -15.7858 -15.7858 -15.7858 -15.7858 -15.6662 -15.6662 -15.6661 -15.6661 -13.4936 -13.4936 -13.4936 -13.4936 -13.4669 -13.4669 -13.4666 -13.4666 -3.9724 -3.9724 -3.9689 -3.9689 -3.5020 -3.5020 -3.4688 -3.4688 -3.2522 -3.2522 -3.2058 -3.2058 -2.7804 -2.7804 -2.7791 -2.7791 -2.6287 -2.6287 -2.6263 -2.6263 -2.5892 -2.5892 -2.5682 -2.5682 -2.3983 -2.3983 -2.3928 -2.3928 -1.8429 -1.8429 -1.8339 -1.8339 -1.4835 -1.4835 -1.4630 -1.4630 -1.2203 -1.2203 -1.2024 -1.2024 -0.9782 -0.9782 -0.9598 -0.9598 -0.6436 -0.6436 -0.6154 -0.6154 -0.3574 -0.3574 -0.3551 -0.3551 -0.2642 -0.2642 -0.2490 -0.2490 -0.0925 -0.0925 -0.0827 -0.0827 0.0446 0.0446 0.0543 0.0543 0.6609 0.6609 0.6700 0.6700 6.9755 6.9755 6.9762 6.9762 k = 0.5000 0.2520 0.1735 ( 8108 PWs) bands (ev): -15.7850 -15.7850 -15.7850 -15.7850 -15.6670 -15.6670 -15.6669 -15.6669 -13.4928 -13.4928 -13.4928 -13.4928 -13.4676 -13.4676 -13.4673 -13.4673 -3.9727 -3.9727 -3.9691 -3.9691 -3.4972 -3.4972 -3.4622 -3.4622 -3.2510 -3.2510 -3.2022 -3.2022 -2.7769 -2.7769 -2.7762 -2.7762 -2.6317 -2.6317 -2.6299 -2.6299 -2.5951 -2.5951 -2.5728 -2.5728 -2.4067 -2.4067 -2.4024 -2.4024 -1.8430 -1.8430 -1.8335 -1.8335 -1.4756 -1.4756 -1.4551 -1.4551 -1.2084 -1.2084 -1.1894 -1.1894 -0.9916 -0.9916 -0.9722 -0.9722 -0.6520 -0.6520 -0.6232 -0.6232 -0.3586 -0.3586 -0.3554 -0.3554 -0.2672 -0.2672 -0.2514 -0.2514 -0.0916 -0.0916 -0.0821 -0.0821 0.0491 0.0491 0.0589 0.0589 0.6655 0.6655 0.6749 0.6749 6.9807 6.9807 6.9814 6.9814 k = 0.5000 0.2520 0.1851 ( 8100 PWs) bands (ev): -15.7843 -15.7843 -15.7843 -15.7843 -15.6677 -15.6677 -15.6676 -15.6676 -13.4921 -13.4921 -13.4921 -13.4921 -13.4683 -13.4683 -13.4680 -13.4680 -3.9729 -3.9729 -3.9692 -3.9692 -3.4931 -3.4931 -3.4565 -3.4565 -3.2500 -3.2500 -3.1991 -3.1991 -2.7737 -2.7737 -2.7735 -2.7735 -2.6351 -2.6351 -2.6346 -2.6346 -2.5990 -2.5990 -2.5761 -2.5761 -2.4136 -2.4136 -2.4103 -2.4103 -1.8431 -1.8431 -1.8332 -1.8332 -1.4689 -1.4689 -1.4485 -1.4485 -1.1971 -1.1971 -1.1768 -1.1768 -1.0048 -1.0048 -0.9841 -0.9841 -0.6588 -0.6588 -0.6295 -0.6295 -0.3596 -0.3596 -0.3556 -0.3556 -0.2698 -0.2698 -0.2535 -0.2535 -0.0907 -0.0907 -0.0815 -0.0815 0.0529 0.0529 0.0628 0.0628 0.6694 0.6694 0.6789 0.6789 6.9852 6.9852 6.9859 6.9859 k = 0.5000 0.2520 0.1966 ( 8084 PWs) bands (ev): -15.7838 -15.7838 -15.7838 -15.7838 -15.6683 -15.6683 -15.6682 -15.6682 -13.4915 -13.4915 -13.4915 -13.4915 -13.4689 -13.4689 -13.4686 -13.4686 -3.9731 -3.9731 -3.9693 -3.9693 -3.4897 -3.4897 -3.4519 -3.4519 -3.2491 -3.2491 -3.1965 -3.1965 -2.7713 -2.7713 -2.7710 -2.7710 -2.6397 -2.6397 -2.6385 -2.6385 -2.6012 -2.6012 -2.5782 -2.5782 -2.4190 -2.4190 -2.4165 -2.4165 -1.8432 -1.8432 -1.8329 -1.8329 -1.4636 -1.4636 -1.4431 -1.4431 -1.1870 -1.1870 -1.1651 -1.1651 -1.0171 -1.0171 -0.9950 -0.9950 -0.6640 -0.6640 -0.6344 -0.6344 -0.3604 -0.3604 -0.3558 -0.3558 -0.2720 -0.2720 -0.2552 -0.2552 -0.0900 -0.0900 -0.0811 -0.0811 0.0559 0.0559 0.0659 0.0659 0.6725 0.6725 0.6822 0.6822 6.9888 6.9888 6.9896 6.9896 k = 0.5000 0.2520 0.2082 ( 8080 PWs) bands (ev): -15.7834 -15.7834 -15.7834 -15.7834 -15.6687 -15.6687 -15.6686 -15.6686 -13.4911 -13.4911 -13.4911 -13.4911 -13.4693 -13.4693 -13.4690 -13.4690 -3.9732 -3.9732 -3.9694 -3.9694 -3.4872 -3.4872 -3.4484 -3.4484 -3.2484 -3.2484 -3.1946 -3.1946 -2.7697 -2.7697 -2.7688 -2.7688 -2.6441 -2.6441 -2.6414 -2.6414 -2.6023 -2.6023 -2.5795 -2.5795 -2.4228 -2.4228 -2.4210 -2.4210 -1.8433 -1.8433 -1.8326 -1.8326 -1.4596 -1.4596 -1.4393 -1.4393 -1.1788 -1.1788 -1.1551 -1.1551 -1.0277 -1.0277 -1.0039 -1.0039 -0.6677 -0.6677 -0.6379 -0.6379 -0.3610 -0.3610 -0.3559 -0.3559 -0.2737 -0.2737 -0.2565 -0.2565 -0.0894 -0.0894 -0.0807 -0.0807 0.0580 0.0580 0.0681 0.0681 0.6748 0.6748 0.6846 0.6846 6.9915 6.9915 6.9923 6.9923 k = 0.5000 0.2520 0.2198 ( 8084 PWs) bands (ev): -15.7832 -15.7832 -15.7832 -15.7832 -15.6690 -15.6690 -15.6689 -15.6689 -13.4908 -13.4908 -13.4908 -13.4908 -13.4696 -13.4696 -13.4693 -13.4693 -3.9733 -3.9733 -3.9694 -3.9694 -3.4856 -3.4856 -3.4463 -3.4463 -3.2480 -3.2480 -3.1934 -3.1934 -2.7687 -2.7687 -2.7675 -2.7675 -2.6471 -2.6471 -2.6433 -2.6433 -2.6029 -2.6029 -2.5802 -2.5802 -2.4251 -2.4251 -2.4237 -2.4237 -1.8433 -1.8433 -1.8325 -1.8325 -1.4572 -1.4572 -1.4369 -1.4369 -1.1733 -1.1733 -1.1481 -1.1481 -1.0350 -1.0350 -1.0098 -1.0098 -0.6699 -0.6699 -0.6400 -0.6400 -0.3613 -0.3613 -0.3560 -0.3560 -0.2747 -0.2747 -0.2574 -0.2574 -0.0891 -0.0891 -0.0805 -0.0805 0.0594 0.0594 0.0694 0.0694 0.6761 0.6761 0.6860 0.6860 6.9931 6.9931 6.9940 6.9940 k = 0.5000 0.2520 0.2313 ( 8072 PWs) bands (ev): -15.7831 -15.7831 -15.7831 -15.7831 -15.6691 -15.6691 -15.6689 -15.6689 -13.4907 -13.4907 -13.4907 -13.4907 -13.4697 -13.4697 -13.4694 -13.4694 -3.9733 -3.9733 -3.9694 -3.9694 -3.4851 -3.4851 -3.4456 -3.4456 -3.2479 -3.2479 -3.1930 -3.1930 -2.7683 -2.7683 -2.7670 -2.7670 -2.6481 -2.6481 -2.6440 -2.6440 -2.6030 -2.6030 -2.5804 -2.5804 -2.4259 -2.4259 -2.4246 -2.4246 -1.8433 -1.8433 -1.8325 -1.8325 -1.4564 -1.4564 -1.4361 -1.4361 -1.1714 -1.1714 -1.1456 -1.1456 -1.0377 -1.0377 -1.0119 -1.0119 -0.6706 -0.6706 -0.6407 -0.6407 -0.3614 -0.3614 -0.3561 -0.3561 -0.2750 -0.2750 -0.2576 -0.2576 -0.0890 -0.0890 -0.0804 -0.0804 0.0598 0.0598 0.0699 0.0699 0.6766 0.6766 0.6865 0.6865 6.9937 6.9937 6.9945 6.9945 Writing output data file CuxClOx2.save init_run : 0.36s CPU 0.51s WALL ( 1 calls) electrons : 469.23s CPU 474.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 469.22s CPU 474.58s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 352 calls) cegterg : 430.75s CPU 434.91s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 220.38s CPU 224.66s WALL ( 6643 calls) s_psi : 14.35s CPU 14.44s WALL ( 6643 calls) g_psi : 0.39s CPU 0.36s WALL ( 5939 calls) cdiaghg : 178.41s CPU 178.78s WALL ( 6291 calls) cegterg:over : 21.93s CPU 22.07s WALL ( 5939 calls) cegterg:upda : 12.69s CPU 12.79s WALL ( 5939 calls) cegterg:last : 8.10s CPU 8.14s WALL ( 1056 calls) cdiaghg:chol : 6.33s CPU 6.45s WALL ( 6291 calls) cdiaghg:inve : 4.88s CPU 4.95s WALL ( 6291 calls) cdiaghg:para : 10.90s CPU 10.87s WALL ( 12582 calls) Called by h_psi: h_psi:vloc : 186.52s CPU 190.52s WALL ( 6643 calls) h_psi:vnl : 33.50s CPU 33.79s WALL ( 6643 calls) add_vuspsi : 17.11s CPU 17.32s WALL ( 6643 calls) General routines calbec : 16.35s CPU 16.45s WALL ( 6643 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 179.50s CPU 183.45s WALL ( 1203988 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.38s WALL ( 704 calls) Parallel routines fft_scatter : 142.59s CPU 145.54s WALL ( 1204011 calls) PWSCF : 9m16.62s CPU 9m45.17s WALL This run was terminated on: 6:38:36 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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