Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:23:28 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./AlTlF4.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 20 6 1525 752 124 Max 34 21 7 1532 775 131 Sum 1201 749 225 55029 27507 4525 bravais-lattice index = 14 lattice parameter (alat) = 6.8960 a.u. unit-cell volume = 576.3688 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.895988 celldm(2)= 1.000000 celldm(3)= 1.757563 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.757563 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.568970 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 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 atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Al 3.00 26.98150 Al( 1.00) F 7.00 18.99840 F( 1.00) 16 Sym. Ops., with inversion, found 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0026178 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0026178 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0026178 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0026178 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0026178 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0026178 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0026178 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0026178 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0026178 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0026178 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0026178 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0026178 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0026178 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0026178 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0026178 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0026178 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0026178 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026178 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0026178 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0026178 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0026178 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0026178 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0026178 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0026178 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0026178 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0026178 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0026178 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0026178 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 92) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0026178 k( 93) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0026178 k( 94) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0026178 k( 95) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0026178 k( 96) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0026178 k( 97) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0026178 k( 98) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0026178 k( 99) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0026178 k( 100) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026178 k( 101) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0026178 k( 102) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0026178 k( 103) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0026178 k( 104) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026178 k( 105) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0026178 k( 106) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0026178 k( 107) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0026178 k( 108) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0026178 k( 109) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0026178 k( 110) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0026178 k( 111) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0026178 k( 112) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0026178 k( 113) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0026178 k( 114) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026178 k( 115) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026178 k( 116) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026178 k( 117) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0026178 k( 118) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026178 k( 119) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0026178 k( 120) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0026178 k( 121) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0026178 k( 122) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0026178 k( 123) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0026178 k( 124) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0026178 k( 125) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0026178 k( 126) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0026178 k( 127) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0026178 k( 128) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026178 k( 129) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0026178 k( 130) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0026178 k( 131) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0026178 k( 132) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0026178 k( 133) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026178 k( 134) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0026178 k( 135) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026178 k( 136) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0026178 k( 137) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0026178 k( 138) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0026178 k( 139) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0026178 k( 140) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0026178 k( 141) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0026178 k( 142) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0026178 k( 143) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0026178 k( 144) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0026178 k( 145) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0026178 k( 146) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0026178 k( 147) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026178 k( 148) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0026178 k( 149) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026178 k( 150) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0026178 k( 151) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.0113794), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.0227588), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.0341382), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.0455176), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.0568970), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.0682763), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.0796557), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.0910351), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.1024145), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.1137939), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.1251733), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.1365527), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.1479321), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.1593115), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.1706909), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.1820703), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.1934496), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.2048290), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.2162084), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.2275878), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.2389672), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.2503466), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.2617260), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.2731054), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.2844848), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.2844848), wk = 0.0026178 k( 180) = ( 0.0000000 0.0113636 0.2844848), wk = 0.0026178 k( 181) = ( 0.0000000 0.0227273 0.2844848), wk = 0.0026178 k( 182) = ( 0.0000000 0.0340909 0.2844848), wk = 0.0026178 k( 183) = ( 0.0000000 0.0454546 0.2844848), wk = 0.0026178 k( 184) = ( 0.0000000 0.0568182 0.2844848), wk = 0.0026178 k( 185) = ( 0.0000000 0.0681818 0.2844848), wk = 0.0026178 k( 186) = ( 0.0000000 0.0795455 0.2844848), wk = 0.0026178 k( 187) = ( 0.0000000 0.0909091 0.2844848), wk = 0.0026178 k( 188) = ( 0.0000000 0.1022727 0.2844848), wk = 0.0026178 k( 189) = ( 0.0000000 0.1136364 0.2844848), wk = 0.0026178 k( 190) = ( 0.0000000 0.1250000 0.2844848), wk = 0.0026178 k( 191) = ( 0.0000000 0.1363636 0.2844848), wk = 0.0026178 k( 192) = ( 0.0000000 0.1477273 0.2844848), wk = 0.0026178 k( 193) = ( 0.0000000 0.1590909 0.2844848), wk = 0.0026178 k( 194) = ( 0.0000000 0.1704546 0.2844848), wk = 0.0026178 k( 195) = ( 0.0000000 0.1818182 0.2844848), wk = 0.0026178 k( 196) = ( 0.0000000 0.1931818 0.2844848), wk = 0.0026178 k( 197) = ( 0.0000000 0.2045454 0.2844848), wk = 0.0026178 k( 198) = ( 0.0000000 0.2159091 0.2844848), wk = 0.0026178 k( 199) = ( 0.0000000 0.2272727 0.2844848), wk = 0.0026178 k( 200) = ( 0.0000000 0.2386364 0.2844848), wk = 0.0026178 k( 201) = ( 0.0000000 0.2500000 0.2844848), wk = 0.0026178 k( 202) = ( 0.0000000 0.2613636 0.2844848), wk = 0.0026178 k( 203) = ( 0.0000000 0.2727273 0.2844848), wk = 0.0026178 k( 204) = ( 0.0000000 0.2840909 0.2844848), wk = 0.0026178 k( 205) = ( 0.0000000 0.2954545 0.2844848), wk = 0.0026178 k( 206) = ( 0.0000000 0.3068182 0.2844848), wk = 0.0026178 k( 207) = ( 0.0000000 0.3181818 0.2844848), wk = 0.0026178 k( 208) = ( 0.0000000 0.3295455 0.2844848), wk = 0.0026178 k( 209) = ( 0.0000000 0.3409091 0.2844848), wk = 0.0026178 k( 210) = ( 0.0000000 0.3522727 0.2844848), wk = 0.0026178 k( 211) = ( 0.0000000 0.3636364 0.2844848), wk = 0.0026178 k( 212) = ( 0.0000000 0.3750000 0.2844848), wk = 0.0026178 k( 213) = ( 0.0000000 0.3863636 0.2844848), wk = 0.0026178 k( 214) = ( 0.0000000 0.3977273 0.2844848), wk = 0.0026178 k( 215) = ( 0.0000000 0.4090909 0.2844848), wk = 0.0026178 k( 216) = ( 0.0000000 0.4204545 0.2844848), wk = 0.0026178 k( 217) = ( 0.0000000 0.4318182 0.2844848), wk = 0.0026178 k( 218) = ( 0.0000000 0.4431818 0.2844848), wk = 0.0026178 k( 219) = ( 0.0000000 0.4545455 0.2844848), wk = 0.0026178 k( 220) = ( 0.0000000 0.4659091 0.2844848), wk = 0.0026178 k( 221) = ( 0.0000000 0.4772727 0.2844848), wk = 0.0026178 k( 222) = ( 0.0000000 0.4886364 0.2844848), wk = 0.0026178 k( 223) = ( 0.0000000 0.5000000 0.2844848), wk = 0.0026178 k( 224) = ( 0.0000000 0.5000000 0.2844848), wk = 0.0026178 k( 225) = ( 0.0113636 0.5000000 0.2844848), wk = 0.0026178 k( 226) = ( 0.0227273 0.5000000 0.2844848), wk = 0.0026178 k( 227) = ( 0.0340909 0.5000000 0.2844848), wk = 0.0026178 k( 228) = ( 0.0454546 0.5000000 0.2844848), wk = 0.0026178 k( 229) = ( 0.0568182 0.5000000 0.2844848), wk = 0.0026178 k( 230) = ( 0.0681818 0.5000000 0.2844848), wk = 0.0026178 k( 231) = ( 0.0795455 0.5000000 0.2844848), wk = 0.0026178 k( 232) = ( 0.0909091 0.5000000 0.2844848), wk = 0.0026178 k( 233) = ( 0.1022727 0.5000000 0.2844848), wk = 0.0026178 k( 234) = ( 0.1136364 0.5000000 0.2844848), wk = 0.0026178 k( 235) = ( 0.1250000 0.5000000 0.2844848), wk = 0.0026178 k( 236) = ( 0.1363636 0.5000000 0.2844848), wk = 0.0026178 k( 237) = ( 0.1477273 0.5000000 0.2844848), wk = 0.0026178 k( 238) = ( 0.1590909 0.5000000 0.2844848), wk = 0.0026178 k( 239) = ( 0.1704546 0.5000000 0.2844848), wk = 0.0026178 k( 240) = ( 0.1818182 0.5000000 0.2844848), wk = 0.0026178 k( 241) = ( 0.1931818 0.5000000 0.2844848), wk = 0.0026178 k( 242) = ( 0.2045454 0.5000000 0.2844848), wk = 0.0026178 k( 243) = ( 0.2159091 0.5000000 0.2844848), wk = 0.0026178 k( 244) = ( 0.2272727 0.5000000 0.2844848), wk = 0.0026178 k( 245) = ( 0.2386364 0.5000000 0.2844848), wk = 0.0026178 k( 246) = ( 0.2500000 0.5000000 0.2844848), wk = 0.0026178 k( 247) = ( 0.2613636 0.5000000 0.2844848), wk = 0.0026178 k( 248) = ( 0.2727273 0.5000000 0.2844848), wk = 0.0026178 k( 249) = ( 0.2840909 0.5000000 0.2844848), wk = 0.0026178 k( 250) = ( 0.2954545 0.5000000 0.2844848), wk = 0.0026178 k( 251) = ( 0.3068182 0.5000000 0.2844848), wk = 0.0026178 k( 252) = ( 0.3181818 0.5000000 0.2844848), wk = 0.0026178 k( 253) = ( 0.3295455 0.5000000 0.2844848), wk = 0.0026178 k( 254) = ( 0.3409091 0.5000000 0.2844848), wk = 0.0026178 k( 255) = ( 0.3522727 0.5000000 0.2844848), wk = 0.0026178 k( 256) = ( 0.3636364 0.5000000 0.2844848), wk = 0.0026178 k( 257) = ( 0.3750000 0.5000000 0.2844848), wk = 0.0026178 k( 258) = ( 0.3863636 0.5000000 0.2844848), wk = 0.0026178 k( 259) = ( 0.3977273 0.5000000 0.2844848), wk = 0.0026178 k( 260) = ( 0.4090909 0.5000000 0.2844848), wk = 0.0026178 k( 261) = ( 0.4204545 0.5000000 0.2844848), wk = 0.0026178 k( 262) = ( 0.4318182 0.5000000 0.2844848), wk = 0.0026178 k( 263) = ( 0.4431818 0.5000000 0.2844848), wk = 0.0026178 k( 264) = ( 0.4545455 0.5000000 0.2844848), wk = 0.0026178 k( 265) = ( 0.4659091 0.5000000 0.2844848), wk = 0.0026178 k( 266) = ( 0.4772727 0.5000000 0.2844848), wk = 0.0026178 k( 267) = ( 0.4886364 0.5000000 0.2844848), wk = 0.0026178 k( 268) = ( 0.5000000 0.5000000 0.2844848), wk = 0.0026178 k( 269) = ( 0.5000000 0.5000000 0.2844848), wk = 0.0026178 k( 270) = ( 0.4918033 0.4918033 0.2844848), wk = 0.0026178 k( 271) = ( 0.4836066 0.4836066 0.2844848), wk = 0.0026178 k( 272) = ( 0.4754098 0.4754098 0.2844848), wk = 0.0026178 k( 273) = ( 0.4672131 0.4672131 0.2844848), wk = 0.0026178 k( 274) = ( 0.4590164 0.4590164 0.2844848), wk = 0.0026178 k( 275) = ( 0.4508197 0.4508197 0.2844848), wk = 0.0026178 k( 276) = ( 0.4426230 0.4426229 0.2844848), wk = 0.0026178 k( 277) = ( 0.4344262 0.4344262 0.2844848), wk = 0.0026178 k( 278) = ( 0.4262295 0.4262295 0.2844848), wk = 0.0026178 k( 279) = ( 0.4180328 0.4180328 0.2844848), wk = 0.0026178 k( 280) = ( 0.4098361 0.4098361 0.2844848), wk = 0.0026178 k( 281) = ( 0.4016393 0.4016393 0.2844848), wk = 0.0026178 k( 282) = ( 0.3934426 0.3934426 0.2844848), wk = 0.0026178 k( 283) = ( 0.3852459 0.3852459 0.2844848), wk = 0.0026178 k( 284) = ( 0.3770492 0.3770492 0.2844848), wk = 0.0026178 k( 285) = ( 0.3688525 0.3688525 0.2844848), wk = 0.0026178 k( 286) = ( 0.3606557 0.3606557 0.2844848), wk = 0.0026178 k( 287) = ( 0.3524590 0.3524590 0.2844848), wk = 0.0026178 k( 288) = ( 0.3442623 0.3442623 0.2844848), wk = 0.0026178 k( 289) = ( 0.3360656 0.3360656 0.2844848), wk = 0.0026178 k( 290) = ( 0.3278688 0.3278688 0.2844848), wk = 0.0026178 k( 291) = ( 0.3196721 0.3196721 0.2844848), wk = 0.0026178 k( 292) = ( 0.3114754 0.3114754 0.2844848), wk = 0.0026178 k( 293) = ( 0.3032787 0.3032787 0.2844848), wk = 0.0026178 k( 294) = ( 0.2950820 0.2950820 0.2844848), wk = 0.0026178 k( 295) = ( 0.2868852 0.2868852 0.2844848), wk = 0.0026178 k( 296) = ( 0.2786885 0.2786885 0.2844848), wk = 0.0026178 k( 297) = ( 0.2704918 0.2704918 0.2844848), wk = 0.0026178 k( 298) = ( 0.2622951 0.2622951 0.2844848), wk = 0.0026178 k( 299) = ( 0.2540984 0.2540984 0.2844848), wk = 0.0026178 k( 300) = ( 0.2459016 0.2459016 0.2844848), wk = 0.0026178 k( 301) = ( 0.2377049 0.2377049 0.2844848), wk = 0.0026178 k( 302) = ( 0.2295082 0.2295082 0.2844848), wk = 0.0026178 k( 303) = ( 0.2213115 0.2213115 0.2844848), wk = 0.0026178 k( 304) = ( 0.2131147 0.2131147 0.2844848), wk = 0.0026178 k( 305) = ( 0.2049180 0.2049180 0.2844848), wk = 0.0026178 k( 306) = ( 0.1967213 0.1967213 0.2844848), wk = 0.0026178 k( 307) = ( 0.1885246 0.1885246 0.2844848), wk = 0.0026178 k( 308) = ( 0.1803279 0.1803279 0.2844848), wk = 0.0026178 k( 309) = ( 0.1721312 0.1721311 0.2844848), wk = 0.0026178 k( 310) = ( 0.1639344 0.1639344 0.2844848), wk = 0.0026178 k( 311) = ( 0.1557377 0.1557377 0.2844848), wk = 0.0026178 k( 312) = ( 0.1475410 0.1475410 0.2844848), wk = 0.0026178 k( 313) = ( 0.1393443 0.1393443 0.2844848), wk = 0.0026178 k( 314) = ( 0.1311475 0.1311475 0.2844848), wk = 0.0026178 k( 315) = ( 0.1229508 0.1229508 0.2844848), wk = 0.0026178 k( 316) = ( 0.1147541 0.1147541 0.2844848), wk = 0.0026178 k( 317) = ( 0.1065574 0.1065574 0.2844848), wk = 0.0026178 k( 318) = ( 0.0983607 0.0983607 0.2844848), wk = 0.0026178 k( 319) = ( 0.0901639 0.0901639 0.2844848), wk = 0.0026178 k( 320) = ( 0.0819672 0.0819672 0.2844848), wk = 0.0026178 k( 321) = ( 0.0737705 0.0737705 0.2844848), wk = 0.0026178 k( 322) = ( 0.0655738 0.0655738 0.2844848), wk = 0.0026178 k( 323) = ( 0.0573770 0.0573770 0.2844848), wk = 0.0026178 k( 324) = ( 0.0491803 0.0491803 0.2844848), wk = 0.0026178 k( 325) = ( 0.0409836 0.0409836 0.2844848), wk = 0.0026178 k( 326) = ( 0.0327869 0.0327869 0.2844848), wk = 0.0026178 k( 327) = ( 0.0245902 0.0245902 0.2844848), wk = 0.0026178 k( 328) = ( 0.0163934 0.0163934 0.2844848), wk = 0.0026178 k( 329) = ( 0.0081967 0.0081967 0.2844848), wk = 0.0026178 k( 330) = ( 0.0000000 0.0000000 0.2844848), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 332) = ( 0.0000000 0.5000000 0.0113794), wk = 0.0026178 k( 333) = ( 0.0000000 0.5000000 0.0227588), wk = 0.0026178 k( 334) = ( 0.0000000 0.5000000 0.0341382), wk = 0.0026178 k( 335) = ( 0.0000000 0.5000000 0.0455176), wk = 0.0026178 k( 336) = ( 0.0000000 0.5000000 0.0568970), wk = 0.0026178 k( 337) = ( 0.0000000 0.5000000 0.0682763), wk = 0.0026178 k( 338) = ( 0.0000000 0.5000000 0.0796557), wk = 0.0026178 k( 339) = ( 0.0000000 0.5000000 0.0910351), wk = 0.0026178 k( 340) = ( 0.0000000 0.5000000 0.1024145), wk = 0.0026178 k( 341) = ( 0.0000000 0.5000000 0.1137939), wk = 0.0026178 k( 342) = ( 0.0000000 0.5000000 0.1251733), wk = 0.0026178 k( 343) = ( 0.0000000 0.5000000 0.1365527), wk = 0.0026178 k( 344) = ( 0.0000000 0.5000000 0.1479321), wk = 0.0026178 k( 345) = ( 0.0000000 0.5000000 0.1593115), wk = 0.0026178 k( 346) = ( 0.0000000 0.5000000 0.1706909), wk = 0.0026178 k( 347) = ( 0.0000000 0.5000000 0.1820703), wk = 0.0026178 k( 348) = ( 0.0000000 0.5000000 0.1934496), wk = 0.0026178 k( 349) = ( 0.0000000 0.5000000 0.2048290), wk = 0.0026178 k( 350) = ( 0.0000000 0.5000000 0.2162084), wk = 0.0026178 k( 351) = ( 0.0000000 0.5000000 0.2275878), wk = 0.0026178 k( 352) = ( 0.0000000 0.5000000 0.2389672), wk = 0.0026178 k( 353) = ( 0.0000000 0.5000000 0.2503466), wk = 0.0026178 k( 354) = ( 0.0000000 0.5000000 0.2617260), wk = 0.0026178 k( 355) = ( 0.0000000 0.5000000 0.2731054), wk = 0.0026178 k( 356) = ( 0.0000000 0.5000000 0.2844848), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.0113794), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.0227588), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.0341382), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.0455176), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.0568970), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.0682763), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.0796557), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.0910351), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.1024145), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.1137939), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.1251733), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.1365527), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.1479321), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.1593115), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.1706909), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.1820703), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.1934496), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.2048290), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.2162084), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.2275878), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.2389672), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.2503466), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.2617260), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.2731054), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.2844848), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0026178 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0026178 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0026178 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0026178 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0026178 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0026178 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0026178 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0026178 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0026178 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0026178 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0026178 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0026178 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0026178 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0026178 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0026178 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0026178 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0026178 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0026178 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0026178 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0026178 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0026178 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026178 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0026178 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0026178 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0026178 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0026178 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0026178 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0026178 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0026178 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0026178 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0026178 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0026178 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0026178 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0026178 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0026178 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0026178 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0026178 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0026178 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0026178 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0026178 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0026178 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0026178 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0026178 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0026178 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0026178 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0026178 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0026178 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0026178 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0026178 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0026178 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0026178 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0026178 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0026178 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0026178 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0026178 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0026178 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0026178 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0026178 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0026178 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0026178 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0026178 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026178 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0026178 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0026178 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0026178 k( 72) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0026178 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0026178 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0026178 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0026178 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0026178 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0026178 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0026178 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026178 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0026178 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0026178 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0026178 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0026178 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0026178 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0026178 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0026178 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0026178 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0026178 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0026178 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 92) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0026178 k( 93) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0026178 k( 94) = ( 0.4754098 0.4754098 0.0000000), wk = 0.0026178 k( 95) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0026178 k( 96) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0026178 k( 97) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0026178 k( 98) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0026178 k( 99) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0026178 k( 100) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026178 k( 101) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0026178 k( 102) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0026178 k( 103) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0026178 k( 104) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026178 k( 105) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0026178 k( 106) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0026178 k( 107) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0026178 k( 108) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0026178 k( 109) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0026178 k( 110) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0026178 k( 111) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0026178 k( 112) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0026178 k( 113) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0026178 k( 114) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026178 k( 115) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026178 k( 116) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026178 k( 117) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0026178 k( 118) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026178 k( 119) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0026178 k( 120) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0026178 k( 121) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0026178 k( 122) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0026178 k( 123) = ( 0.2377049 0.2377049 0.0000000), wk = 0.0026178 k( 124) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0026178 k( 125) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0026178 k( 126) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0026178 k( 127) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0026178 k( 128) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026178 k( 129) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0026178 k( 130) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0026178 k( 131) = ( 0.1721312 0.1721312 -0.0000000), wk = 0.0026178 k( 132) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0026178 k( 133) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026178 k( 134) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0026178 k( 135) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026178 k( 136) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0026178 k( 137) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0026178 k( 138) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0026178 k( 139) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0026178 k( 140) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0026178 k( 141) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0026178 k( 142) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0026178 k( 143) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0026178 k( 144) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0026178 k( 145) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0026178 k( 146) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0026178 k( 147) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026178 k( 148) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0026178 k( 149) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026178 k( 150) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0026178 k( 151) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 180) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0026178 k( 181) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0026178 k( 182) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0026178 k( 183) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0026178 k( 184) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0026178 k( 185) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0026178 k( 186) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0026178 k( 187) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0026178 k( 188) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0026178 k( 189) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0026178 k( 190) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0026178 k( 192) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0026178 k( 193) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0026178 k( 194) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0026178 k( 195) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0026178 k( 196) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0026178 k( 197) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0026178 k( 198) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0026178 k( 199) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0026178 k( 200) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0026178 k( 201) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026178 k( 202) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0026178 k( 203) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0026178 k( 204) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0026178 k( 205) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0026178 k( 206) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0026178 k( 207) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0026178 k( 208) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0026178 k( 209) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0026178 k( 210) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0026178 k( 211) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0026178 k( 212) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0026178 k( 213) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0026178 k( 214) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0026178 k( 215) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0026178 k( 216) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0026178 k( 217) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0026178 k( 218) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0026178 k( 219) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0026178 k( 220) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0026178 k( 221) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0026178 k( 222) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0026178 k( 223) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 225) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0026178 k( 226) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0026178 k( 227) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0026178 k( 228) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0026178 k( 229) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0026178 k( 230) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0026178 k( 231) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0026178 k( 232) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0026178 k( 233) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0026178 k( 234) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0026178 k( 235) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0026178 k( 236) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0026178 k( 237) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0026178 k( 238) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0026178 k( 239) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0026178 k( 240) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0026178 k( 241) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0026178 k( 242) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0026178 k( 243) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0026178 k( 244) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0026178 k( 245) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0026178 k( 246) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026178 k( 247) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0026178 k( 248) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0026178 k( 249) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0026178 k( 250) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0026178 k( 251) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0026178 k( 252) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0026178 k( 253) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0026178 k( 254) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0026178 k( 255) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0026178 k( 256) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0026178 k( 257) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0026178 k( 258) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0026178 k( 259) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0026178 k( 260) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0026178 k( 261) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0026178 k( 262) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0026178 k( 263) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0026178 k( 264) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0026178 k( 265) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0026178 k( 266) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0026178 k( 267) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0026178 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 270) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0026178 k( 271) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0026178 k( 272) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0026178 k( 273) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0026178 k( 274) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0026178 k( 275) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0026178 k( 276) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0026178 k( 277) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0026178 k( 278) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0026178 k( 279) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0026178 k( 280) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0026178 k( 281) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0026178 k( 282) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0026178 k( 283) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0026178 k( 284) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0026178 k( 285) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0026178 k( 286) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0026178 k( 287) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0026178 k( 288) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0026178 k( 289) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0026178 k( 290) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0026178 k( 291) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0026178 k( 292) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0026178 k( 293) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0026178 k( 294) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0026178 k( 295) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0026178 k( 296) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0026178 k( 297) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0026178 k( 298) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0026178 k( 299) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0026178 k( 300) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0026178 k( 301) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0026178 k( 302) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0026178 k( 303) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0026178 k( 304) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0026178 k( 305) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0026178 k( 306) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0026178 k( 307) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0026178 k( 308) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0026178 k( 309) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0026178 k( 310) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0026178 k( 311) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0026178 k( 312) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0026178 k( 313) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0026178 k( 314) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0026178 k( 315) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0026178 k( 316) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0026178 k( 317) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0026178 k( 318) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0026178 k( 319) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0026178 k( 320) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0026178 k( 321) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0026178 k( 322) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0026178 k( 323) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0026178 k( 324) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0026178 k( 325) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0026178 k( 326) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0026178 k( 327) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0026178 k( 328) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0026178 k( 329) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0026178 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 331) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026178 k( 332) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0026178 k( 333) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0026178 k( 334) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0026178 k( 335) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0026178 k( 336) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026178 k( 337) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0026178 k( 338) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0026178 k( 339) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0026178 k( 340) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0026178 k( 341) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026178 k( 342) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0026178 k( 343) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0026178 k( 344) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0026178 k( 345) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0026178 k( 346) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026178 k( 347) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0026178 k( 348) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0026178 k( 349) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0026178 k( 350) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0026178 k( 351) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026178 k( 352) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0026178 k( 353) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0026178 k( 354) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0026178 k( 355) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0026178 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 357) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 358) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0026178 k( 359) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0026178 k( 360) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0026178 k( 361) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0026178 k( 362) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026178 k( 363) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0026178 k( 364) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0026178 k( 365) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0026178 k( 366) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0026178 k( 367) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026178 k( 368) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0026178 k( 369) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0026178 k( 370) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0026178 k( 371) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0026178 k( 372) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026178 k( 373) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0026178 k( 374) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0026178 k( 375) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0026178 k( 376) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0026178 k( 377) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026178 k( 378) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0026178 k( 379) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0026178 k( 380) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0026178 k( 381) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0026178 k( 382) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 55029 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 27507 G-vectors FFT dimensions: ( 32, 32, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 224, 52) NL pseudopotentials 0.21 Mb ( 112, 124) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1527) G-vector shells 0.01 Mb ( 767) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 224, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.20 Mb ( 124, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./AlTlF4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.5 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 6.0 secs Computing kpt #: 16 total cpu time spent up to now is 6.2 secs Computing kpt #: 17 total cpu time spent up to now is 6.5 secs Computing kpt #: 18 total cpu time spent up to now is 6.7 secs Computing kpt #: 19 total cpu time spent up to now is 7.0 secs Computing kpt #: 20 total cpu time spent up to now is 7.2 secs Computing kpt #: 21 total cpu time spent up to now is 7.5 secs Computing kpt #: 22 total cpu time spent up to now is 7.8 secs Computing kpt #: 23 total cpu time spent up to now is 8.0 secs Computing kpt #: 24 total cpu time spent up to now is 8.3 secs Computing kpt #: 25 total cpu time spent up to now is 8.5 secs Computing kpt #: 26 total cpu time spent up to now is 8.8 secs Computing kpt #: 27 total cpu time spent up to now is 9.1 secs Computing kpt #: 28 total cpu time spent up to now is 9.3 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.1 secs Computing kpt #: 32 total cpu time spent up to now is 10.4 secs Computing kpt #: 33 total cpu time spent up to now is 10.7 secs Computing kpt #: 34 total cpu time spent up to now is 10.9 secs Computing kpt #: 35 total cpu time spent up to now is 11.2 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.8 secs Computing kpt #: 38 total cpu time spent up to now is 12.0 secs Computing kpt #: 39 total cpu time spent up to now is 12.3 secs Computing kpt #: 40 total cpu time spent up to now is 12.6 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.2 secs Computing kpt #: 43 total cpu time spent up to now is 13.5 secs Computing kpt #: 44 total cpu time spent up to now is 13.8 secs Computing kpt #: 45 total cpu time spent up to now is 14.1 secs Computing kpt #: 46 total cpu time spent up to now is 14.5 secs Computing kpt #: 47 total cpu time spent up to now is 14.8 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.5 secs Computing kpt #: 50 total cpu time spent up to now is 15.9 secs Computing kpt #: 51 total cpu time spent up to now is 16.2 secs Computing kpt #: 52 total cpu time spent up to now is 16.6 secs Computing kpt #: 53 total cpu time spent up to now is 16.9 secs Computing kpt #: 54 total cpu time spent up to now is 17.3 secs Computing kpt #: 55 total cpu time spent up to now is 17.7 secs Computing kpt #: 56 total cpu time spent up to now is 18.1 secs Computing kpt #: 57 total cpu time spent up to now is 18.4 secs Computing kpt #: 58 total cpu time spent up to now is 18.8 secs Computing kpt #: 59 total cpu time spent up to now is 19.2 secs Computing kpt #: 60 total cpu time spent up to now is 19.6 secs Computing kpt #: 61 total cpu time spent up to now is 20.0 secs Computing kpt #: 62 total cpu time spent up to now is 20.4 secs Computing kpt #: 63 total cpu time spent up to now is 20.7 secs Computing kpt #: 64 total cpu time spent up to now is 21.1 secs Computing kpt #: 65 total cpu time spent up to now is 21.5 secs Computing kpt #: 66 total cpu time spent up to now is 21.9 secs Computing kpt #: 67 total cpu time spent up to now is 22.3 secs Computing kpt #: 68 total cpu time spent up to now is 22.7 secs Computing kpt #: 69 total cpu time spent up to now is 23.1 secs Computing kpt #: 70 total cpu time spent up to now is 23.5 secs Computing kpt #: 71 total cpu time spent up to now is 26.0 secs Computing kpt #: 72 total cpu time spent up to now is 26.4 secs Computing kpt #: 73 total cpu time spent up to now is 26.8 secs Computing kpt #: 74 total cpu time spent up to now is 27.2 secs Computing kpt #: 75 total cpu time spent up to now is 27.5 secs Computing kpt #: 76 total cpu time spent up to now is 27.9 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.6 secs Computing kpt #: 79 total cpu time spent up to now is 28.9 secs Computing kpt #: 80 total cpu time spent up to now is 29.4 secs Computing kpt #: 81 total cpu time spent up to now is 29.8 secs Computing kpt #: 82 total cpu time spent up to now is 30.2 secs Computing kpt #: 83 total cpu time spent up to now is 30.6 secs Computing kpt #: 84 total cpu time spent up to now is 31.1 secs Computing kpt #: 85 total cpu time spent up to now is 31.6 secs Computing kpt #: 86 total cpu time spent up to now is 32.1 secs Computing kpt #: 87 total cpu time spent up to now is 32.6 secs Computing kpt #: 88 total cpu time spent up to now is 33.4 secs Computing kpt #: 89 total cpu time spent up to now is 34.3 secs Computing kpt #: 90 total cpu time spent up to now is 35.3 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.4 secs Computing kpt #: 92 total cpu time spent up to now is 37.2 secs Computing kpt #: 93 total cpu time spent up to now is 39.2 secs Computing kpt #: 94 total cpu time spent up to now is 39.6 secs Computing kpt #: 95 total cpu time spent up to now is 40.0 secs Computing kpt #: 96 total cpu time spent up to now is 40.3 secs Computing kpt #: 97 total cpu time spent up to now is 40.7 secs Computing kpt #: 98 total cpu time spent up to now is 41.0 secs Computing kpt #: 99 total cpu time spent up to now is 41.2 secs Computing kpt #: 100 total cpu time spent up to now is 41.5 secs Computing kpt #: 101 total cpu time spent up to now is 41.8 secs Computing kpt #: 102 total cpu time spent up to now is 42.1 secs Computing kpt #: 103 total cpu time spent up to now is 42.3 secs Computing kpt #: 104 total cpu time spent up to now is 42.6 secs Computing kpt #: 105 total cpu time spent up to now is 42.9 secs Computing kpt #: 106 total cpu time spent up to now is 43.1 secs Computing kpt #: 107 total cpu time spent up to now is 43.4 secs Computing kpt #: 108 total cpu time spent up to now is 43.7 secs Computing kpt #: 109 total cpu time spent up to now is 43.9 secs Computing kpt #: 110 total cpu time spent up to now is 44.2 secs Computing kpt #: 111 total cpu time spent up to now is 44.4 secs Computing kpt #: 112 total cpu time spent up to now is 44.7 secs Computing kpt #: 113 total cpu time spent up to now is 45.0 secs Computing kpt #: 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up to now is 49.1 secs Computing kpt #: 130 total cpu time spent up to now is 49.3 secs Computing kpt #: 131 total cpu time spent up to now is 49.6 secs Computing kpt #: 132 total cpu time spent up to now is 49.8 secs Computing kpt #: 133 total cpu time spent up to now is 50.1 secs Computing kpt #: 134 total cpu time spent up to now is 50.3 secs Computing kpt #: 135 total cpu time spent up to now is 50.6 secs Computing kpt #: 136 total cpu time spent up to now is 50.9 secs Computing kpt #: 137 total cpu time spent up to now is 51.1 secs Computing kpt #: 138 total cpu time spent up to now is 51.4 secs Computing kpt #: 139 total cpu time spent up to now is 51.6 secs Computing kpt #: 140 total cpu time spent up to now is 51.9 secs Computing kpt #: 141 total cpu time spent up to now is 52.1 secs Computing kpt #: 142 total cpu time spent up to now is 52.4 secs Computing kpt #: 143 total cpu time spent up to now is 52.6 secs Computing kpt #: 144 total cpu time spent up to now is 52.9 secs Computing kpt #: 145 total cpu time spent up to now is 53.1 secs Computing kpt #: 146 total cpu time spent up to now is 53.4 secs Computing kpt #: 147 total cpu time spent up to now is 53.7 secs Computing kpt #: 148 total cpu time spent up to now is 53.9 secs Computing kpt #: 149 total cpu time spent up to now is 54.2 secs Computing kpt #: 150 total cpu time spent up to now is 54.4 secs Computing kpt #: 151 total cpu time spent up to now is 54.7 secs Computing kpt #: 152 total cpu time spent up to now is 54.9 secs Computing kpt #: 153 total cpu time spent up to now is 55.2 secs Computing kpt #: 154 total cpu time spent up to now is 55.4 secs Computing kpt #: 155 total cpu time spent up to now is 55.7 secs Computing kpt #: 156 total cpu time spent up to now is 55.9 secs Computing kpt #: 157 total cpu time spent up to now is 56.1 secs Computing kpt #: 158 total cpu time spent up to now is 56.4 secs Computing kpt #: 159 total cpu time spent up to now is 56.6 secs Computing kpt #: 160 total cpu time spent up to now is 56.9 secs Computing kpt #: 161 total cpu time spent up to now is 57.1 secs Computing kpt #: 162 total cpu time spent up to now is 57.4 secs Computing kpt #: 163 total cpu time spent up to now is 57.6 secs Computing kpt #: 164 total cpu time spent up to now is 57.9 secs Computing kpt #: 165 total cpu time spent up to now is 58.1 secs Computing kpt #: 166 total cpu time spent up to now is 58.4 secs Computing kpt #: 167 total cpu time spent up to now is 58.6 secs Computing kpt #: 168 total cpu time spent up to now is 58.9 secs Computing kpt #: 169 total cpu time spent up to now is 59.1 secs Computing kpt #: 170 total cpu time spent up to now is 59.4 secs Computing kpt #: 171 total cpu time spent up to now is 59.6 secs Computing kpt #: 172 total cpu time spent up to now is 59.9 secs Computing kpt #: 173 total cpu time spent up to now is 60.1 secs Computing kpt #: 174 total cpu time spent up to now is 60.3 secs Computing kpt #: 175 total cpu time spent up to now is 60.6 secs Computing kpt #: 176 total cpu time spent up to now is 60.8 secs Computing kpt #: 177 total cpu time spent up to now is 61.1 secs Computing kpt #: 178 total cpu time spent up to now is 61.3 secs Computing kpt #: 179 total cpu time spent up to now is 61.5 secs Computing kpt #: 180 total cpu time spent up to now is 61.8 secs Computing kpt #: 181 total cpu time spent up to now is 62.0 secs Computing kpt #: 182 total cpu time spent up to now is 62.3 secs Computing kpt #: 183 total cpu time spent up to now is 62.5 secs Computing kpt #: 184 total cpu time spent up to now is 62.8 secs Computing kpt #: 185 total cpu time spent up to now is 63.0 secs Computing kpt #: 186 total cpu time spent up to now is 63.3 secs Computing kpt #: 187 total cpu time spent up to now is 63.5 secs Computing kpt #: 188 total cpu time spent up to now is 63.8 secs Computing kpt #: 189 total cpu time spent up to now is 64.0 secs Computing kpt #: 190 total cpu time spent up to now is 64.3 secs Computing kpt #: 191 total cpu time spent up to now is 64.5 secs Computing kpt #: 192 total cpu time spent up to now is 64.8 secs Computing kpt #: 193 total cpu time spent up to now is 65.0 secs Computing kpt #: 194 total cpu time spent up to now is 65.3 secs Computing kpt #: 195 total cpu time spent up to now is 65.5 secs Computing kpt #: 196 total cpu time spent up to now is 65.8 secs Computing kpt #: 197 total cpu time spent up to now is 66.0 secs Computing kpt #: 198 total cpu time spent up to now is 66.3 secs Computing kpt #: 199 total cpu time spent up to now is 66.5 secs Computing kpt #: 200 total cpu time spent up to now is 66.8 secs Computing kpt #: 201 total cpu time spent up to now is 67.0 secs Computing kpt #: 202 total cpu time spent up to now is 67.3 secs Computing kpt #: 203 total cpu time spent up to now is 67.5 secs Computing kpt #: 204 total cpu time spent up to now is 67.8 secs Computing kpt #: 205 total cpu time spent up to now is 68.0 secs Computing kpt #: 206 total cpu time spent up to now is 68.2 secs Computing kpt #: 207 total cpu time spent up to now is 68.5 secs Computing kpt #: 208 total cpu time spent up to now is 68.8 secs Computing kpt #: 209 total cpu time spent up to now is 69.0 secs Computing kpt #: 210 total cpu time spent up to now is 69.3 secs Computing kpt #: 211 total cpu time spent up to now is 69.5 secs Computing kpt #: 212 total cpu time spent up to now is 69.8 secs Computing kpt #: 213 total cpu time spent up to now is 70.1 secs Computing kpt #: 214 total cpu time spent up to now is 70.3 secs Computing kpt #: 215 total cpu time spent up to now is 70.6 secs Computing kpt #: 216 total cpu time spent up to now is 70.8 secs Computing kpt #: 217 total cpu time spent up to now is 71.1 secs Computing kpt #: 218 total cpu time spent up to now is 71.4 secs Computing kpt #: 219 total cpu time spent up to now is 71.6 secs Computing kpt #: 220 total cpu time spent up to now is 71.9 secs Computing kpt #: 221 total cpu time spent up to now is 72.1 secs Computing kpt #: 222 total cpu time spent up to now is 72.4 secs Computing kpt #: 223 total cpu time spent up to now is 72.6 secs Computing kpt #: 224 total cpu time spent up to now is 72.9 secs Computing kpt #: 225 total cpu time spent up to now is 73.1 secs Computing kpt #: 226 total cpu time spent up to now is 73.4 secs Computing kpt #: 227 total cpu time spent up to now is 73.6 secs Computing kpt #: 228 total cpu time spent up to now is 73.9 secs Computing kpt #: 229 total cpu time spent up to now is 74.1 secs Computing kpt #: 230 total cpu time spent up to now is 74.4 secs Computing kpt #: 231 total cpu time spent up to now is 74.6 secs Computing kpt #: 232 total cpu time spent up to now is 74.9 secs Computing kpt #: 233 total cpu time spent up to now is 75.1 secs Computing kpt #: 234 total cpu time spent up to now is 75.4 secs Computing kpt #: 235 total cpu time spent up to now is 75.6 secs Computing kpt #: 236 total cpu time spent up to now is 75.9 secs Computing kpt #: 237 total cpu time spent up to now is 76.1 secs Computing kpt #: 238 total cpu time spent up to now is 76.4 secs Computing kpt #: 239 total cpu time spent up to now is 76.6 secs Computing kpt #: 240 total cpu time spent up to now is 76.9 secs Computing kpt #: 241 total cpu time spent up to now is 77.1 secs Computing kpt #: 242 total cpu time spent up to now is 77.4 secs Computing kpt #: 243 total cpu time spent up to now is 77.6 secs Computing kpt #: 244 total cpu time spent up to now is 77.9 secs Computing kpt #: 245 total cpu time spent up to now is 78.1 secs Computing kpt #: 246 total cpu time spent up to now is 78.4 secs Computing kpt #: 247 total cpu time spent up to now is 78.7 secs Computing kpt #: 248 total cpu time spent up to now is 78.9 secs Computing kpt #: 249 total cpu time spent up to now is 79.2 secs Computing kpt #: 250 total cpu time spent up to now is 79.5 secs Computing kpt #: 251 total cpu time spent up to now is 79.7 secs Computing kpt #: 252 total cpu time spent up to now is 80.0 secs Computing kpt #: 253 total cpu time spent up to now is 80.3 secs Computing kpt #: 254 total cpu time spent up to now is 80.6 secs Computing kpt #: 255 total cpu time spent up to now is 80.9 secs Computing kpt #: 256 total cpu time spent up to now is 81.1 secs Computing kpt #: 257 total cpu time spent up to now is 81.5 secs Computing kpt #: 258 total cpu time spent up to now is 81.8 secs Computing kpt #: 259 total cpu time spent up to now is 82.1 secs Computing kpt #: 260 total cpu time spent up to now is 82.5 secs Computing kpt #: 261 total cpu time spent up to now is 82.9 secs Computing kpt #: 262 total cpu time spent up to now is 83.3 secs Computing kpt #: 263 total cpu time spent up to now is 83.8 secs Computing kpt #: 264 total cpu time spent up to now is 84.3 secs Computing kpt #: 265 total cpu time spent up to now is 84.9 secs Computing kpt #: 266 total cpu time spent up to now is 85.5 secs Computing kpt #: 267 total cpu time spent up to now is 86.1 secs Computing kpt #: 268 total cpu time spent up to now is 86.7 secs Computing kpt #: 269 total cpu time spent up to now is 87.3 secs Computing kpt #: 270 total cpu time spent up to now is 87.9 secs Computing kpt #: 271 total cpu time spent up to now is 88.8 secs Computing kpt #: 272 total cpu time spent up to now is 89.3 secs Computing kpt #: 273 total cpu time spent up to now is 89.8 secs Computing kpt #: 274 total cpu time spent up to now is 90.3 secs Computing kpt #: 275 total cpu time spent up to now is 90.6 secs Computing kpt #: 276 total cpu time spent up to now is 91.0 secs Computing kpt #: 277 total cpu time spent up to now is 91.4 secs Computing kpt #: 278 total cpu time spent up to now is 91.7 secs Computing kpt #: 279 total cpu time spent up to now is 92.1 secs Computing kpt #: 280 total cpu time spent up to now is 92.4 secs Computing kpt #: 281 total cpu time spent up to now is 92.7 secs Computing kpt #: 282 total cpu time spent up to now is 93.0 secs Computing kpt #: 283 total cpu time spent up to now is 93.2 secs Computing kpt #: 284 total cpu time spent up to now is 93.5 secs Computing kpt #: 285 total cpu time spent up to now is 93.8 secs Computing kpt #: 286 total cpu time spent up to now is 94.0 secs Computing kpt #: 287 total cpu time spent up to now is 94.3 secs Computing kpt #: 288 total cpu time spent up to now is 94.5 secs Computing kpt #: 289 total cpu time spent up to now is 94.8 secs Computing kpt #: 290 total cpu time spent up to now is 95.1 secs Computing kpt #: 291 total cpu time spent up to now is 95.3 secs Computing kpt #: 292 total cpu time spent up to now is 95.6 secs Computing kpt #: 293 total cpu time spent up to now is 95.8 secs Computing kpt #: 294 total cpu time spent up to now is 96.1 secs Computing kpt #: 295 total cpu time spent up to now is 96.3 secs Computing kpt #: 296 total cpu time spent up to now is 96.6 secs Computing kpt #: 297 total cpu time spent up to now is 96.8 secs Computing kpt #: 298 total cpu time spent up to now is 97.1 secs Computing kpt #: 299 total cpu time spent up to now is 97.3 secs Computing kpt #: 300 total cpu time spent up to now is 97.6 secs Computing kpt #: 301 total cpu time spent up to now is 97.8 secs Computing kpt #: 302 total cpu time spent up to now is 98.1 secs Computing kpt #: 303 total cpu time spent up to now is 98.3 secs Computing kpt #: 304 total cpu time spent up to now is 98.6 secs Computing kpt #: 305 total cpu time spent up to now is 98.8 secs Computing kpt #: 306 total cpu time spent up to now is 99.1 secs Computing kpt #: 307 total cpu time spent up to now is 99.3 secs Computing kpt #: 308 total cpu time spent up to now is 99.6 secs Computing kpt #: 309 total cpu time spent up to now is 99.8 secs Computing kpt #: 310 total cpu time spent up to now is 100.1 secs Computing kpt #: 311 total cpu time spent up to now is 100.3 secs Computing kpt #: 312 total cpu time spent up to now is 100.6 secs Computing kpt #: 313 total cpu time spent up to now is 100.8 secs Computing kpt #: 314 total cpu time spent up to now is 101.0 secs Computing kpt #: 315 total cpu time spent up to now is 101.3 secs Computing kpt #: 316 total cpu time spent up to now is 101.5 secs Computing kpt #: 317 total cpu time spent up to now is 101.8 secs Computing kpt #: 318 total cpu time spent up to now is 102.1 secs Computing kpt #: 319 total cpu time spent up to now is 102.3 secs Computing kpt #: 320 total cpu time spent up to now is 102.6 secs Computing kpt #: 321 total cpu time spent up to now is 102.8 secs Computing kpt #: 322 total cpu time spent up to now is 103.1 secs Computing kpt #: 323 total cpu time spent up to now is 103.3 secs Computing kpt #: 324 total cpu time spent up to now is 103.6 secs Computing kpt #: 325 total cpu time spent up to now is 103.8 secs Computing kpt #: 326 total cpu time spent up to now is 104.1 secs Computing kpt #: 327 total cpu time spent up to now is 104.3 secs Computing kpt #: 328 total cpu time spent up to now is 104.6 secs Computing kpt #: 329 total cpu time spent up to now is 104.8 secs Computing kpt #: 330 total cpu time spent up to now is 105.1 secs Computing kpt #: 331 total cpu time spent up to now is 105.4 secs Computing kpt #: 332 total cpu time spent up to now is 105.8 secs Computing kpt #: 333 total cpu time spent up to now is 106.2 secs Computing kpt #: 334 total cpu time spent up to now is 106.5 secs Computing kpt #: 335 total cpu time spent up to now is 106.9 secs Computing kpt #: 336 total cpu time spent up to now is 107.2 secs Computing kpt #: 337 total cpu time spent up to now is 107.5 secs Computing kpt #: 338 total cpu time spent up to now is 107.9 secs Computing kpt #: 339 total cpu time spent up to now is 108.2 secs Computing kpt #: 340 total cpu time spent up to now is 108.5 secs Computing kpt #: 341 total cpu time spent up to now is 108.8 secs Computing kpt #: 342 total cpu time spent up to now is 109.1 secs Computing kpt #: 343 total cpu time spent up to now is 109.4 secs Computing kpt #: 344 total cpu time spent up to now is 109.6 secs Computing kpt #: 345 total cpu time spent up to now is 109.9 secs Computing kpt #: 346 total cpu time spent up to now is 110.2 secs Computing kpt #: 347 total cpu time spent up to now is 110.4 secs Computing kpt #: 348 total cpu time spent up to now is 110.7 secs Computing kpt #: 349 total cpu time spent up to now is 111.0 secs Computing kpt #: 350 total cpu time spent up to now is 111.2 secs Computing kpt #: 351 total cpu time spent up to now is 111.5 secs Computing kpt #: 352 total cpu time spent up to now is 111.8 secs Computing kpt #: 353 total cpu time spent up to now is 112.0 secs Computing kpt #: 354 total cpu time spent up to now is 112.3 secs Computing kpt #: 355 total cpu time spent up to now is 112.5 secs Computing kpt #: 356 total cpu time spent up to now is 112.8 secs Computing kpt #: 357 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.9 secs Computing kpt #: 358 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.0 secs Computing kpt #: 359 total cpu time spent up to now is 116.0 secs Computing kpt #: 360 total cpu time spent up to now is 117.2 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.2 secs Computing kpt #: 362 total cpu time spent up to now is 119.3 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.5 secs Computing kpt #: 364 total cpu time spent up to now is 121.3 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.4 secs Computing kpt #: 366 total cpu time spent up to now is 123.4 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.6 secs Computing kpt #: 369 total cpu time spent up to now is 126.2 secs Computing kpt #: 370 total cpu time spent up to now is 126.8 secs Computing kpt #: 371 total cpu time spent up to now is 127.5 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 373 total cpu time spent up to now is 129.4 secs Computing kpt #: 374 total cpu time spent up to now is 130.1 secs Computing kpt #: 375 total cpu time spent up to now is 130.7 secs Computing kpt #: 376 total cpu time spent up to now is 131.6 secs Computing kpt #: 377 total cpu time spent up to now is 132.2 secs Computing kpt #: 378 total cpu time spent up to now is 132.9 secs Computing kpt #: 379 total cpu time spent up to now is 133.5 secs Computing kpt #: 380 total cpu time spent up to now is 134.0 secs Computing kpt #: 381 total cpu time spent up to now is 134.6 secs Computing kpt #: 382 total cpu time spent up to now is 135.3 secs ethr = 2.27E-08, avg # of iterations = 24.0 total cpu time spent up to now is 135.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3443 PWs) bands (ev): -18.9573 -18.9573 -17.7672 -17.7672 -17.2362 -17.2362 -17.1348 -17.1348 -6.1673 -6.1673 -6.1292 -6.1292 -4.0465 -4.0465 -3.9930 -3.9930 -3.8462 -3.8462 -1.9013 -1.9013 -1.8916 -1.8916 -1.0309 -1.0309 -0.4094 -0.4094 1.4258 1.4258 1.5571 1.5571 1.5775 1.5775 1.6096 1.6096 1.7392 1.7392 1.7477 1.7477 1.7938 1.7938 1.9113 1.9113 1.9567 1.9567 8.8439 8.8439 12.0817 12.0817 12.6710 12.6710 14.1366 14.1366 k = 0.0000 0.0114-0.0000 ( 3431 PWs) bands (ev): -18.9568 -18.9568 -17.7675 -17.7675 -17.2361 -17.2361 -17.1349 -17.1349 -6.1672 -6.1672 -6.1292 -6.1292 -4.0464 -4.0464 -3.9929 -3.9929 -3.8463 -3.8463 -1.9018 -1.9018 -1.8920 -1.8920 -1.0287 -1.0287 -0.4091 -0.4091 1.4225 1.4225 1.5412 1.5412 1.5818 1.5818 1.6117 1.6117 1.7200 1.7200 1.7607 1.7607 1.8027 1.8027 1.9153 1.9153 1.9609 1.9609 8.8451 8.8451 12.0815 12.0815 12.6669 12.6669 14.1273 14.1273 k = 0.0000 0.0227-0.0000 ( 3427 PWs) bands (ev): -18.9556 -18.9556 -17.7683 -17.7683 -17.2360 -17.2360 -17.1350 -17.1350 -6.1671 -6.1671 -6.1291 -6.1291 -4.0461 -4.0461 -3.9926 -3.9926 -3.8466 -3.8466 -1.9041 -1.9041 -1.8923 -1.8923 -1.0220 -1.0220 -0.4084 -0.4084 1.4126 1.4126 1.5089 1.5089 1.5836 1.5836 1.6152 1.6152 1.6979 1.6979 1.7669 1.7669 1.8268 1.8268 1.9233 1.9233 1.9754 1.9754 8.8487 8.8487 12.0808 12.0808 12.6546 12.6546 14.1006 14.1006 k = 0.0000 0.0341-0.0000 ( 3429 PWs) bands (ev): -18.9536 -18.9536 -17.7697 -17.7697 -17.2359 -17.2359 -17.1353 -17.1353 -6.1668 -6.1668 -6.1289 -6.1289 -4.0457 -4.0457 -3.9921 -3.9921 -3.8471 -3.8471 -1.9093 -1.9093 -1.8914 -1.8914 -1.0111 -1.0111 -0.4073 -0.4073 1.3961 1.3961 1.4680 1.4680 1.5818 1.5818 1.6169 1.6169 1.6789 1.6789 1.7686 1.7686 1.8572 1.8572 1.9302 1.9302 2.0023 2.0023 8.8547 8.8547 12.0785 12.0785 12.6346 12.6346 14.0600 14.0600 k = 0.0000 0.0455-0.0000 ( 3433 PWs) bands (ev): -18.9508 -18.9508 -17.7716 -17.7716 -17.2357 -17.2357 -17.1357 -17.1357 -6.1664 -6.1664 -6.1287 -6.1287 -4.0451 -4.0451 -3.9914 -3.9914 -3.8478 -3.8478 -1.9171 -1.9171 -1.8891 -1.8891 -0.9962 -0.9962 -0.4057 -0.4057 1.3735 1.3735 1.4216 1.4216 1.5779 1.5779 1.6162 1.6162 1.6638 1.6638 1.7691 1.7691 1.8886 1.8886 1.9363 1.9363 2.0385 2.0385 8.8630 8.8630 12.0731 12.0731 12.6079 12.6079 14.0102 14.0102 k = 0.0000 0.0568-0.0000 ( 3441 PWs) bands (ev): -18.9472 -18.9472 -17.7742 -17.7742 -17.2354 -17.2354 -17.1362 -17.1362 -6.1659 -6.1659 -6.1284 -6.1284 -4.0443 -4.0443 -3.9906 -3.9906 -3.8486 -3.8486 -1.9272 -1.9272 -1.8857 -1.8857 -0.9774 -0.9774 -0.4036 -0.4036 1.3455 1.3455 1.3714 1.3714 1.5723 1.5723 1.6134 1.6134 1.6524 1.6524 1.7692 1.7692 1.9163 1.9163 1.9459 1.9459 2.0803 2.0803 8.8736 8.8736 12.0617 12.0617 12.5769 12.5769 13.9561 13.9561 k = 0.0000 0.0682-0.0000 ( 3443 PWs) bands (ev): -18.9428 -18.9428 -17.7772 -17.7772 -17.2350 -17.2350 -17.1369 -17.1369 -6.1653 -6.1653 -6.1280 -6.1280 -4.0434 -4.0434 -3.9895 -3.9895 -3.8497 -3.8497 -1.9391 -1.9391 -1.8815 -1.8815 -0.9552 -0.9552 -0.4011 -0.4011 1.3129 1.3129 1.3187 1.3187 1.5653 1.5653 1.6089 1.6089 1.6444 1.6444 1.7691 1.7691 1.9312 1.9312 1.9682 1.9682 2.1254 2.1254 8.8864 8.8864 12.0402 12.0402 12.5452 12.5452 13.9020 13.9020 k = 0.0000 0.0795-0.0000 ( 3445 PWs) bands (ev): -18.9376 -18.9376 -17.7809 -17.7809 -17.2346 -17.2346 -17.1376 -17.1376 -6.1647 -6.1647 -6.1275 -6.1275 -4.0424 -4.0424 -3.9882 -3.9882 -3.8509 -3.8509 -1.9523 -1.9523 -1.8764 -1.8764 -0.9298 -0.9298 -0.3982 -0.3982 1.2640 1.2640 1.2771 1.2771 1.5569 1.5569 1.6030 1.6030 1.6391 1.6391 1.7689 1.7689 1.9377 1.9377 1.9986 1.9986 2.1724 2.1724 8.9013 8.9013 12.0038 12.0038 12.5180 12.5180 13.8513 13.8513 k = 0.0000 0.0909-0.0000 ( 3445 PWs) bands (ev): -18.9317 -18.9317 -17.7850 -17.7850 -17.2341 -17.2341 -17.1384 -17.1384 -6.1640 -6.1640 -6.1269 -6.1269 -4.0413 -4.0413 -3.9867 -3.9867 -3.8523 -3.8523 -1.9665 -1.9665 -1.8705 -1.8705 -0.9017 -0.9017 -0.3948 -0.3948 1.2083 1.2083 1.2385 1.2385 1.5473 1.5473 1.5960 1.5960 1.6358 1.6358 1.7687 1.7687 1.9423 1.9423 2.0302 2.0302 2.2204 2.2204 8.9181 8.9181 11.9480 11.9480 12.5001 12.5001 13.8060 13.8060 k = 0.0000 0.1023-0.0000 ( 3445 PWs) bands (ev): -18.9250 -18.9250 -17.7898 -17.7898 -17.2336 -17.2336 -17.1393 -17.1393 -6.1632 -6.1632 -6.1263 -6.1263 -4.0401 -4.0401 -3.9849 -3.9849 -3.8538 -3.8538 -1.9816 -1.9816 -1.8638 -1.8638 -0.8710 -0.8710 -0.3911 -0.3911 1.1518 1.1518 1.1979 1.1979 1.5364 1.5364 1.5879 1.5879 1.6342 1.6342 1.7684 1.7684 1.9466 1.9466 2.0617 2.0617 2.2688 2.2688 8.9368 8.9368 11.8713 11.8713 12.4943 12.4943 13.7673 13.7673 k = 0.0000 0.1136-0.0000 ( 3457 PWs) bands (ev): -18.9175 -18.9175 -17.7952 -17.7952 -17.2331 -17.2331 -17.1402 -17.1402 -6.1624 -6.1624 -6.1255 -6.1255 -4.0388 -4.0388 -3.9830 -3.9830 -3.8555 -3.8555 -1.9971 -1.9971 -1.8565 -1.8565 -0.8381 -0.8381 -0.3869 -0.3869 1.0948 1.0948 1.1560 1.1560 1.5243 1.5243 1.5788 1.5788 1.6340 1.6340 1.7680 1.7680 1.9510 1.9510 2.0923 2.0923 2.3174 2.3174 8.9571 8.9571 11.7753 11.7753 12.5006 12.5006 13.7356 13.7356 k = 0.0000 0.1250-0.0000 ( 3465 PWs) bands (ev): -18.9093 -18.9093 -17.8011 -17.8011 -17.2324 -17.2324 -17.1413 -17.1413 -6.1616 -6.1616 -6.1247 -6.1247 -4.0376 -4.0376 -3.9807 -3.9807 -3.8573 -3.8573 -2.0129 -2.0129 -1.8484 -1.8484 -0.8032 -0.8032 -0.3824 -0.3824 1.0375 1.0375 1.1131 1.1131 1.5110 1.5110 1.5686 1.5686 1.6348 1.6348 1.7677 1.7677 1.9556 1.9556 2.1219 2.1219 2.3658 2.3658 8.9789 8.9789 11.6635 11.6635 12.5173 12.5173 13.7105 13.7105 k = 0.0000 0.1364-0.0000 ( 3457 PWs) bands (ev): -18.9003 -18.9003 -17.8076 -17.8076 -17.2318 -17.2318 -17.1423 -17.1423 -6.1608 -6.1608 -6.1237 -6.1237 -4.0363 -4.0363 -3.9782 -3.9782 -3.8592 -3.8592 -2.0287 -2.0287 -1.8396 -1.8396 -0.7666 -0.7666 -0.3775 -0.3775 0.9803 0.9803 1.0696 1.0696 1.4967 1.4967 1.5576 1.5576 1.6365 1.6365 1.7673 1.7673 1.9604 1.9604 2.1504 2.1504 2.4140 2.4140 9.0017 9.0017 11.5396 11.5396 12.5425 12.5425 13.6914 13.6914 k = 0.0000 0.1477-0.0000 ( 3453 PWs) bands (ev): -18.8906 -18.8906 -17.8146 -17.8146 -17.2311 -17.2311 -17.1435 -17.1435 -6.1600 -6.1600 -6.1227 -6.1227 -4.0350 -4.0350 -3.9755 -3.9755 -3.8611 -3.8611 -2.0444 -2.0444 -1.8302 -1.8302 -0.7285 -0.7285 -0.3722 -0.3722 0.9232 0.9232 1.0257 1.0257 1.4814 1.4814 1.5457 1.5457 1.6389 1.6389 1.7669 1.7669 1.9654 1.9654 2.1776 2.1776 2.4618 2.4618 9.0252 9.0252 11.4071 11.4071 12.5746 12.5746 13.6778 13.6778 k = 0.0000 0.1591-0.0000 ( 3447 PWs) bands (ev): -18.8802 -18.8802 -17.8223 -17.8223 -17.2303 -17.2303 -17.1446 -17.1446 -6.1592 -6.1592 -6.1215 -6.1215 -4.0338 -4.0338 -3.9725 -3.9725 -3.8631 -3.8631 -2.0598 -2.0598 -1.8203 -1.8203 -0.6892 -0.6892 -0.3666 -0.3666 0.8664 0.8664 0.9818 0.9818 1.4651 1.4651 1.5329 1.5329 1.6419 1.6419 1.7665 1.7665 1.9706 1.9706 2.2035 2.2035 2.5091 2.5091 9.0490 9.0490 11.2690 11.2690 12.6125 12.6125 13.6689 13.6689 k = 0.0000 0.1705-0.0000 ( 3449 PWs) bands (ev): -18.8692 -18.8692 -17.8305 -17.8305 -17.2295 -17.2295 -17.1458 -17.1458 -6.1584 -6.1584 -6.1203 -6.1203 -4.0326 -4.0326 -3.9694 -3.9694 -3.8652 -3.8652 -2.0748 -2.0748 -1.8097 -1.8097 -0.6487 -0.6487 -0.3607 -0.3607 0.8102 0.8102 0.9379 0.9379 1.4479 1.4479 1.5194 1.5194 1.6454 1.6454 1.7660 1.7660 1.9761 1.9761 2.2281 2.2281 2.5559 2.5559 9.0724 9.0724 11.1278 11.1278 12.6552 12.6552 13.6640 13.6640 k = 0.0000 0.1818-0.0000 ( 3453 PWs) bands (ev): -18.8575 -18.8575 -17.8393 -17.8393 -17.2287 -17.2287 -17.1471 -17.1471 -6.1577 -6.1577 -6.1190 -6.1190 -4.0315 -4.0315 -3.9660 -3.9660 -3.8672 -3.8672 -2.0894 -2.0894 -1.7986 -1.7986 -0.6075 -0.6075 -0.3545 -0.3545 0.7546 0.7546 0.8942 0.8942 1.4300 1.4300 1.5050 1.5050 1.6494 1.6494 1.7655 1.7655 1.9817 1.9817 2.2513 2.2513 2.6020 2.6020 9.0947 9.0947 10.9860 10.9860 12.7022 12.7022 13.6626 13.6626 k = 0.0000 0.1932-0.0000 ( 3453 PWs) bands (ev): -18.8451 -18.8451 -17.8487 -17.8487 -17.2278 -17.2278 -17.1483 -17.1483 -6.1571 -6.1571 -6.1175 -6.1175 -4.0305 -4.0305 -3.9624 -3.9624 -3.8693 -3.8693 -2.1032 -2.1032 -1.7871 -1.7871 -0.5655 -0.5655 -0.3480 -0.3480 0.6999 0.6999 0.8509 0.8509 1.4113 1.4113 1.4900 1.4900 1.6538 1.6538 1.7650 1.7650 1.9875 1.9875 2.2730 2.2730 2.6476 2.6476 9.1148 9.1148 10.8457 10.8457 12.7529 12.7529 13.6641 13.6641 k = 0.0000 0.2045-0.0000 ( 3453 PWs) bands (ev): -18.8321 -18.8321 -17.8586 -17.8586 -17.2270 -17.2270 -17.1496 -17.1496 -6.1565 -6.1565 -6.1161 -6.1161 -4.0296 -4.0296 -3.9587 -3.9587 -3.8714 -3.8714 -2.1164 -2.1164 -1.7751 -1.7751 -0.5231 -0.5231 -0.3412 -0.3412 0.6462 0.6462 0.8081 0.8081 1.3920 1.3920 1.4743 1.4743 1.6585 1.6585 1.7646 1.7646 1.9934 1.9934 2.2934 2.2934 2.6925 2.6925 9.1313 9.1313 10.7095 10.7095 12.8071 12.8071 13.6682 13.6682 k = 0.0000 0.2159-0.0000 ( 3453 PWs) bands (ev): -18.8185 -18.8185 -17.8692 -17.8692 -17.2261 -17.2261 -17.1508 -17.1508 -6.1559 -6.1559 -6.1145 -6.1145 -4.0287 -4.0287 -3.9549 -3.9549 -3.8733 -3.8733 -2.1289 -2.1289 -1.7627 -1.7627 -0.4804 -0.4804 -0.3342 -0.3342 0.5937 0.5937 0.7659 0.7659 1.3722 1.3722 1.4579 1.4579 1.6635 1.6635 1.7640 1.7640 1.9994 1.9994 2.3124 2.3124 2.7368 2.7368 9.1424 9.1424 10.5798 10.5798 12.8644 12.8644 13.6745 13.6745 k = 0.0000 0.2273-0.0000 ( 3451 PWs) bands (ev): -18.8044 -18.8044 -17.8803 -17.8803 -17.2252 -17.2252 -17.1521 -17.1521 -6.1554 -6.1554 -6.1129 -6.1129 -4.0280 -4.0280 -3.9510 -3.9510 -3.8752 -3.8752 -2.1406 -2.1406 -1.7500 -1.7500 -0.4377 -0.4377 -0.3270 -0.3270 0.5427 0.5427 0.7244 0.7244 1.3519 1.3519 1.4409 1.4409 1.6687 1.6687 1.7635 1.7635 2.0056 2.0056 2.3301 2.3301 2.7804 2.7804 9.1458 9.1458 10.4598 10.4598 12.9246 12.9246 13.6827 13.6827 k = 0.0000 0.2386-0.0000 ( 3451 PWs) bands (ev): -18.7896 -18.7896 -17.8919 -17.8919 -17.2242 -17.2242 -17.1533 -17.1533 -6.1550 -6.1550 -6.1113 -6.1113 -4.0273 -4.0273 -3.9470 -3.9470 -3.8770 -3.8770 -2.1515 -2.1515 -1.7370 -1.7370 -0.3953 -0.3953 -0.3196 -0.3196 0.4935 0.4935 0.6837 0.6837 1.3312 1.3312 1.4233 1.4233 1.6741 1.6741 1.7630 1.7630 2.0117 2.0117 2.3463 2.3463 2.8233 2.8233 9.1387 9.1387 10.3526 10.3526 12.9873 12.9873 13.6926 13.6926 k = 0.0000 0.2500-0.0000 ( 3440 PWs) bands (ev): -18.7744 -18.7744 -17.9041 -17.9041 -17.2233 -17.2233 -17.1545 -17.1545 -6.1546 -6.1546 -6.1096 -6.1096 -4.0267 -4.0267 -3.9431 -3.9431 -3.8786 -3.8786 -2.1615 -2.1615 -1.7237 -1.7237 -0.3535 -0.3535 -0.3120 -0.3120 0.4464 0.4464 0.6439 0.6439 1.3103 1.3103 1.4052 1.4052 1.6797 1.6797 1.7625 1.7625 2.0179 2.0179 2.3613 2.3613 2.8656 2.8656 9.1182 9.1182 10.2617 10.2617 13.0524 13.0524 13.7040 13.7040 k = 0.0000 0.2614-0.0000 ( 3446 PWs) bands (ev): -18.7586 -18.7586 -17.9168 -17.9168 -17.2224 -17.2224 -17.1557 -17.1557 -6.1542 -6.1542 -6.1080 -6.1080 -4.0263 -4.0263 -3.9393 -3.9393 -3.8801 -3.8801 -2.1707 -2.1707 -1.7103 -1.7103 -0.3129 -0.3129 -0.3042 -0.3042 0.4018 0.4018 0.6050 0.6050 1.2893 1.2893 1.3865 1.3865 1.6855 1.6855 1.7620 1.7620 2.0241 2.0241 2.3749 2.3749 2.9071 2.9071 9.0817 9.0817 10.1899 10.1899 13.1195 13.1195 13.7168 13.7168 k = 0.0000 0.2727-0.0000 ( 3446 PWs) bands (ev): -18.7424 -18.7424 -17.9300 -17.9300 -17.2215 -17.2215 -17.1568 -17.1568 -6.1539 -6.1539 -6.1064 -6.1064 -4.0259 -4.0259 -3.9356 -3.9356 -3.8813 -3.8813 -2.1790 -2.1790 -1.6968 -1.6968 -0.2965 -0.2965 -0.2738 -0.2738 0.3603 0.3603 0.5672 0.5672 1.2681 1.2681 1.3673 1.3673 1.6913 1.6913 1.7614 1.7614 2.0302 2.0302 2.3873 2.3873 2.9478 2.9478 9.0282 9.0282 10.1386 10.1386 13.1883 13.1883 13.7310 13.7310 k = 0.0000 0.2841-0.0000 ( 3444 PWs) bands (ev): -18.7258 -18.7258 -17.9437 -17.9437 -17.2206 -17.2206 -17.1579 -17.1579 -6.1537 -6.1537 -6.1047 -6.1047 -4.0256 -4.0256 -3.9321 -3.9321 -3.8822 -3.8822 -2.1865 -2.1865 -1.6833 -1.6833 -0.2885 -0.2885 -0.2373 -0.2373 0.3228 0.3228 0.5305 0.5305 1.2471 1.2471 1.3476 1.3476 1.6972 1.6972 1.7609 1.7609 2.0363 2.0363 2.3985 2.3985 2.9878 2.9878 8.9588 8.9588 10.1071 10.1071 13.2585 13.2585 13.7466 13.7466 k = 0.0000 0.2955-0.0000 ( 3442 PWs) bands (ev): -18.7088 -18.7088 -17.9579 -17.9579 -17.2197 -17.2197 -17.1589 -17.1589 -6.1535 -6.1535 -6.1031 -6.1031 -4.0254 -4.0254 -3.9288 -3.9288 -3.8828 -3.8828 -2.1931 -2.1931 -1.6698 -1.6698 -0.2804 -0.2804 -0.2043 -0.2043 0.2903 0.2903 0.4950 0.4950 1.2261 1.2261 1.3275 1.3275 1.7031 1.7031 1.7604 1.7604 2.0423 2.0423 2.4086 2.4086 3.0270 3.0270 8.8760 8.8760 10.0928 10.0928 13.3296 13.3296 13.7638 13.7638 k = 0.0000 0.3068-0.0000 ( 3436 PWs) bands (ev): -18.6914 -18.6914 -17.9725 -17.9725 -17.2188 -17.2188 -17.1599 -17.1599 -6.1532 -6.1532 -6.1016 -6.1016 -4.0252 -4.0252 -3.9259 -3.9259 -3.8830 -3.8830 -2.1990 -2.1990 -1.6564 -1.6564 -0.2723 -0.2723 -0.1763 -0.1763 0.2643 0.2643 0.4608 0.4608 1.2055 1.2055 1.3070 1.3070 1.7090 1.7090 1.7599 1.7599 2.0481 2.0481 2.4176 2.4176 3.0653 3.0653 8.7834 8.7834 10.0925 10.0925 13.4008 13.4008 13.7830 13.7830 k = 0.0000 0.3182-0.0000 ( 3446 PWs) bands (ev): -18.6737 -18.6737 -17.9876 -17.9876 -17.2180 -17.2180 -17.1609 -17.1609 -6.1531 -6.1531 -6.1001 -6.1001 -4.0252 -4.0252 -3.9235 -3.9235 -3.8829 -3.8829 -2.2041 -2.2041 -1.6433 -1.6433 -0.2642 -0.2642 -0.1551 -0.1551 0.2464 0.2464 0.4278 0.4278 1.1852 1.1852 1.2860 1.2860 1.7148 1.7148 1.7594 1.7594 2.0538 2.0538 2.4255 2.4255 3.1027 3.1027 8.6846 8.6846 10.1027 10.1027 13.4711 13.4711 13.8050 13.8050 k = 0.0000 0.3295-0.0000 ( 3452 PWs) bands (ev): -18.6557 -18.6557 -18.0030 -18.0030 -17.2171 -17.2171 -17.1618 -17.1618 -6.1530 -6.1530 -6.0987 -6.0987 -4.0252 -4.0252 -3.9214 -3.9214 -3.8823 -3.8823 -2.2085 -2.2085 -1.6303 -1.6303 -0.2560 -0.2560 -0.1422 -0.1422 0.2382 0.2382 0.3961 0.3961 1.1654 1.1654 1.2647 1.2647 1.7206 1.7206 1.7590 1.7590 2.0593 2.0593 2.4325 2.4325 3.1391 3.1391 8.5825 8.5825 10.1207 10.1207 13.5389 13.5389 13.8311 13.8311 k = 0.0000 0.3409-0.0000 ( 3454 PWs) bands (ev): -18.6376 -18.6376 -18.0187 -18.0187 -17.2164 -17.2164 -17.1626 -17.1626 -6.1529 -6.1529 -6.0973 -6.0973 -4.0252 -4.0252 -3.9199 -3.9199 -3.8812 -3.8812 -2.2122 -2.2122 -1.6177 -1.6177 -0.2478 -0.2478 -0.1383 -0.1383 0.2404 0.2404 0.3659 0.3659 1.1463 1.1463 1.2431 1.2431 1.7262 1.7262 1.7585 1.7585 2.0645 2.0645 2.4386 2.4386 3.1743 3.1743 8.4798 8.4798 10.1439 10.1439 13.6018 13.6018 13.8634 13.8634 k = 0.0000 0.3523-0.0000 ( 3444 PWs) bands (ev): -18.6192 -18.6192 -18.0348 -18.0348 -17.2156 -17.2156 -17.1634 -17.1634 -6.1528 -6.1528 -6.0960 -6.0960 -4.0253 -4.0253 -3.9186 -3.9186 -3.8798 -3.8798 -2.2153 -2.2153 -1.6055 -1.6055 -0.2397 -0.2397 -0.1426 -0.1426 0.2521 0.2521 0.3373 0.3373 1.1278 1.1278 1.2213 1.2213 1.7317 1.7317 1.7581 1.7581 2.0696 2.0696 2.4440 2.4440 3.2084 3.2084 8.3783 8.3783 10.1707 10.1707 13.6569 13.6569 13.9044 13.9044 k = 0.0000 0.3636-0.0000 ( 3440 PWs) bands (ev): -18.6008 -18.6008 -18.0510 -18.0510 -17.2149 -17.2149 -17.1641 -17.1641 -6.1527 -6.1527 -6.0947 -6.0947 -4.0255 -4.0255 -3.9178 -3.9178 -3.8781 -3.8781 -2.2178 -2.2178 -1.5938 -1.5938 -0.2317 -0.2317 -0.1533 -0.1533 0.2713 0.2713 0.3102 0.3102 1.1102 1.1102 1.1992 1.1992 1.7370 1.7370 1.7577 1.7577 2.0743 2.0743 2.4485 2.4485 3.2411 3.2411 8.2795 8.2795 10.1995 10.1995 13.7021 13.7021 13.9560 13.9560 k = 0.0000 0.3750-0.0000 ( 3440 PWs) bands (ev): -18.5824 -18.5824 -18.0674 -18.0674 -17.2142 -17.2142 -17.1648 -17.1648 -6.1526 -6.1526 -6.0936 -6.0936 -4.0257 -4.0257 -3.9173 -3.9173 -3.8763 -3.8763 -2.2198 -2.2198 -1.5827 -1.5827 -0.2238 -0.2238 -0.1682 -0.1682 0.2834 0.2834 0.2972 0.2972 1.0935 1.0935 1.1770 1.1770 1.7420 1.7420 1.7573 1.7573 2.0788 2.0788 2.4524 2.4524 3.2722 3.2722 8.1848 8.1848 10.2293 10.2293 13.7375 13.7375 14.0177 14.0177 k = 0.0000 0.3864-0.0000 ( 3444 PWs) bands (ev): -18.5641 -18.5641 -18.0838 -18.0838 -17.2136 -17.2136 -17.1654 -17.1654 -6.1526 -6.1526 -6.0926 -6.0926 -4.0259 -4.0259 -3.9170 -3.9170 -3.8743 -3.8743 -2.2214 -2.2214 -1.5723 -1.5723 -0.2161 -0.2161 -0.1853 -0.1853 0.2601 0.2601 0.3246 0.3246 1.0779 1.0779 1.1549 1.1549 1.7467 1.7467 1.7570 1.7570 2.0830 2.0830 2.4557 2.4557 3.3017 3.3017 8.0952 8.0952 10.2591 10.2591 13.7650 13.7650 14.0872 14.0872 k = 0.0000 0.3977-0.0000 ( 3448 PWs) bands (ev): -18.5460 -18.5460 -18.1002 -18.1002 -17.2130 -17.2130 -17.1659 -17.1659 -6.1526 -6.1526 -6.0916 -6.0916 -4.0261 -4.0261 -3.9168 -3.9168 -3.8724 -3.8724 -2.2226 -2.2226 -1.5625 -1.5625 -0.2091 -0.2091 -0.2027 -0.2027 0.2379 0.2379 0.3542 0.3542 1.0634 1.0634 1.1328 1.1328 1.7511 1.7511 1.7567 1.7567 2.0868 2.0868 2.4584 2.4584 3.3293 3.3293 8.0116 8.0116 10.2881 10.2881 13.7866 13.7866 14.1619 14.1619 k = 0.0000 0.4091-0.0000 ( 3444 PWs) bands (ev): -18.5283 -18.5283 -18.1164 -18.1164 -17.2125 -17.2125 -17.1664 -17.1664 -6.1525 -6.1525 -6.0907 -6.0907 -4.0263 -4.0263 -3.9168 -3.9168 -3.8704 -3.8704 -2.2234 -2.2234 -1.5536 -1.5536 -0.2212 -0.2212 -0.2011 -0.2011 0.2175 0.2175 0.3845 0.3845 1.0501 1.0501 1.1111 1.1111 1.7550 1.7550 1.7566 1.7566 2.0903 2.0903 2.4607 2.4607 3.3548 3.3548 7.9347 7.9347 10.3157 10.3157 13.8042 13.8042 14.2396 14.2396 k = 0.0000 0.4205-0.0000 ( 3444 PWs) bands (ev): -18.5111 -18.5111 -18.1322 -18.1322 -17.2120 -17.2120 -17.1668 -17.1668 -6.1525 -6.1525 -6.0900 -6.0900 -4.0265 -4.0265 -3.9168 -3.9168 -3.8686 -3.8686 -2.2239 -2.2239 -1.5455 -1.5455 -0.2378 -0.2378 -0.1944 -0.1944 0.1990 0.1990 0.4143 0.4143 1.0382 1.0382 1.0900 1.0900 1.7559 1.7559 1.7591 1.7591 2.0934 2.0934 2.4625 2.4625 3.3780 3.3780 7.8652 7.8652 10.3413 10.3413 13.8187 13.8187 14.3186 14.3186 k = 0.0000 0.4318-0.0000 ( 3442 PWs) bands (ev): -18.4948 -18.4948 -18.1474 -18.1474 -17.2116 -17.2116 -17.1672 -17.1672 -6.1525 -6.1525 -6.0893 -6.0893 -4.0267 -4.0267 -3.9169 -3.9169 -3.8670 -3.8670 -2.2243 -2.2243 -1.5384 -1.5384 -0.2530 -0.2530 -0.1881 -0.1881 0.1826 0.1826 0.4427 0.4427 1.0276 1.0276 1.0699 1.0699 1.7557 1.7557 1.7623 1.7623 2.0961 2.0961 2.4639 2.4639 3.3987 3.3987 7.8037 7.8037 10.3645 10.3645 13.8307 13.8307 14.3973 14.3973 k = 0.0000 0.4432-0.0000 ( 3446 PWs) bands (ev): -18.4795 -18.4795 -18.1616 -18.1616 -17.2112 -17.2112 -17.1675 -17.1675 -6.1525 -6.1525 -6.0887 -6.0887 -4.0269 -4.0269 -3.9169 -3.9169 -3.8656 -3.8656 -2.2245 -2.2245 -1.5323 -1.5323 -0.2664 -0.2664 -0.1824 -0.1824 0.1683 0.1683 0.4690 0.4690 1.0186 1.0186 1.0511 1.0511 1.7555 1.7555 1.7651 1.7651 2.0984 2.0984 2.4651 2.4651 3.4167 3.4167 7.7507 7.7507 10.3848 10.3848 13.8406 13.8406 14.4740 14.4740 k = 0.0000 0.4545-0.0000 ( 3454 PWs) bands (ev): -18.4658 -18.4658 -18.1745 -18.1745 -17.2109 -17.2109 -17.1678 -17.1678 -6.1525 -6.1525 -6.0883 -6.0883 -4.0271 -4.0271 -3.9170 -3.9170 -3.8644 -3.8644 -2.2246 -2.2246 -1.5272 -1.5272 -0.2776 -0.2776 -0.1774 -0.1774 0.1563 0.1563 0.4922 0.4922 1.0111 1.0111 1.0342 1.0342 1.7554 1.7554 1.7674 1.7674 2.1004 2.1004 2.4659 2.4659 3.4317 3.4317 7.7067 7.7067 10.4019 10.4019 13.8486 13.8486 14.5468 14.5468 k = 0.0000 0.4659-0.0000 ( 3450 PWs) bands (ev): -18.4541 -18.4541 -18.1855 -18.1855 -17.2107 -17.2107 -17.1680 -17.1680 -6.1525 -6.1525 -6.0879 -6.0879 -4.0273 -4.0273 -3.9171 -3.9171 -3.8634 -3.8634 -2.2246 -2.2246 -1.5231 -1.5231 -0.2865 -0.2865 -0.1734 -0.1734 0.1467 0.1467 0.5117 0.5117 1.0053 1.0053 1.0199 1.0199 1.7552 1.7552 1.7693 1.7693 2.1019 2.1019 2.4666 2.4666 3.4436 3.4436 7.6721 7.6721 10.4155 10.4155 13.8548 13.8548 14.6127 14.6127 k = 0.0000 0.4773-0.0000 ( 3446 PWs) bands (ev): -18.4451 -18.4451 -18.1941 -18.1941 -17.2105 -17.2105 -17.1681 -17.1681 -6.1525 -6.1525 -6.0877 -6.0877 -4.0273 -4.0273 -3.9171 -3.9171 -3.8627 -3.8627 -2.2246 -2.2246 -1.5203 -1.5203 -0.2930 -0.2930 -0.1704 -0.1704 0.1398 0.1398 0.5264 0.5264 1.0011 1.0011 1.0089 1.0089 1.7552 1.7552 1.7706 1.7706 2.1030 2.1030 2.4670 2.4670 3.4522 3.4522 7.6472 7.6472 10.4254 10.4254 13.8591 13.8591 14.6672 14.6672 k = 0.0000 0.4886-0.0000 ( 3434 PWs) bands (ev): -18.4394 -18.4394 -18.1995 -18.1995 -17.2104 -17.2104 -17.1682 -17.1682 -6.1524 -6.1524 -6.0875 -6.0875 -4.0274 -4.0274 -3.9171 -3.9171 -3.8623 -3.8623 -2.2246 -2.2246 -1.5185 -1.5185 -0.2969 -0.2969 -0.1685 -0.1685 0.1356 0.1356 0.5356 0.5356 0.9987 0.9987 1.0018 1.0018 1.7551 1.7551 1.7714 1.7714 2.1036 2.1036 2.4673 2.4673 3.4574 3.4574 7.6321 7.6321 10.4313 10.4313 13.8618 13.8618 14.7042 14.7042 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.4374 -18.4374 -18.2014 -18.2014 -17.2104 -17.2104 -17.1682 -17.1682 -6.1524 -6.1524 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8621 -3.8621 -2.2246 -2.2246 -1.5179 -1.5179 -0.2982 -0.2982 -0.1679 -0.1679 0.1342 0.1342 0.5388 0.5388 0.9982 0.9982 0.9991 0.9991 1.7551 1.7551 1.7717 1.7717 2.1038 2.1038 2.4674 2.4674 3.4592 3.4592 7.6271 7.6271 10.4334 10.4334 13.8626 13.8626 14.7176 14.7176 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.4374 -18.4374 -18.2014 -18.2014 -17.2104 -17.2104 -17.1682 -17.1682 -6.1524 -6.1524 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8621 -3.8621 -2.2246 -2.2246 -1.5179 -1.5179 -0.2982 -0.2982 -0.1679 -0.1679 0.1342 0.1342 0.5388 0.5388 0.9982 0.9982 0.9991 0.9991 1.7551 1.7551 1.7717 1.7717 2.1038 2.1038 2.4674 2.4674 3.4592 3.4592 7.6271 7.6271 10.4334 10.4334 13.8626 13.8626 14.7176 14.7176 k = 0.0114 0.5000-0.0000 ( 3438 PWs) bands (ev): -18.4371 -18.4371 -18.2014 -18.2014 -17.2104 -17.2104 -17.1684 -17.1684 -6.1524 -6.1524 -6.0875 -6.0875 -4.0272 -4.0272 -3.9173 -3.9173 -3.8622 -3.8622 -2.2302 -2.2302 -1.5121 -1.5121 -0.2977 -0.2977 -0.1675 -0.1675 0.1342 0.1342 0.5391 0.5391 0.9513 0.9513 1.0465 1.0465 1.7291 1.7291 1.7976 1.7976 2.1025 2.1025 2.4675 2.4675 3.4587 3.4587 7.6285 7.6285 10.4331 10.4331 13.8508 13.8508 14.7195 14.7195 k = 0.0227 0.5000-0.0000 ( 3446 PWs) bands (ev): -18.4363 -18.4363 -18.2013 -18.2013 -17.2103 -17.2103 -17.1690 -17.1690 -6.1521 -6.1521 -6.0876 -6.0876 -4.0268 -4.0268 -3.9176 -3.9176 -3.8625 -3.8625 -2.2463 -2.2463 -1.4953 -1.4953 -0.2963 -0.2963 -0.1665 -0.1665 0.1340 0.1340 0.5402 0.5402 0.9046 0.9046 1.0946 1.0946 1.6962 1.6962 1.8300 1.8300 2.0985 2.0985 2.4679 2.4679 3.4574 3.4574 7.6329 7.6329 10.4322 10.4322 13.8157 13.8157 14.7250 14.7250 k = 0.0341 0.5000-0.0000 ( 3442 PWs) bands (ev): -18.4349 -18.4349 -18.2011 -18.2011 -17.2101 -17.2101 -17.1699 -17.1699 -6.1517 -6.1517 -6.0878 -6.0878 -4.0259 -4.0259 -3.9181 -3.9181 -3.8629 -3.8629 -2.2717 -2.2717 -1.4688 -1.4688 -0.2941 -0.2941 -0.1649 -0.1649 0.1337 0.1337 0.5419 0.5419 0.8586 0.8586 1.1430 1.1430 1.6629 1.6629 1.8624 1.8624 2.0920 2.0920 2.4686 2.4686 3.4551 3.4551 7.6401 7.6401 10.4307 10.4307 13.7590 13.7590 14.7337 14.7337 k = 0.0455 0.5000-0.0000 ( 3438 PWs) bands (ev): -18.4329 -18.4329 -18.2009 -18.2009 -17.2098 -17.2098 -17.1711 -17.1711 -6.1512 -6.1512 -6.0880 -6.0880 -4.0248 -4.0248 -3.9188 -3.9188 -3.8635 -3.8635 -2.3044 -2.3044 -1.4345 -1.4345 -0.2909 -0.2909 -0.1626 -0.1626 0.1333 0.1333 0.5444 0.5444 0.8136 0.8136 1.1915 1.1915 1.6295 1.6295 1.8946 1.8946 2.0829 2.0829 2.4696 2.4696 3.4519 3.4519 7.6502 7.6502 10.4286 10.4286 13.6825 13.6825 14.7450 14.7450 k = 0.0568 0.5000-0.0000 ( 3446 PWs) bands (ev): -18.4305 -18.4305 -18.2006 -18.2006 -17.2095 -17.2095 -17.1727 -17.1727 -6.1505 -6.1505 -6.0883 -6.0883 -4.0233 -4.0233 -3.9198 -3.9198 -3.8642 -3.8642 -2.3428 -2.3428 -1.3941 -1.3941 -0.2871 -0.2871 -0.1598 -0.1598 0.1329 0.1329 0.5475 0.5475 0.7697 0.7697 1.2401 1.2401 1.5963 1.5963 1.9263 1.9263 2.0714 2.0714 2.4709 2.4709 3.4478 3.4478 7.6630 7.6630 10.4260 10.4260 13.5888 13.5888 14.7582 14.7582 k = 0.0682 0.5000-0.0000 ( 3442 PWs) bands (ev): -18.4274 -18.4274 -18.2003 -18.2003 -17.2091 -17.2091 -17.1747 -17.1747 -6.1496 -6.1496 -6.0887 -6.0887 -4.0215 -4.0215 -3.9209 -3.9209 -3.8650 -3.8650 -2.3853 -2.3853 -1.3492 -1.3492 -0.2826 -0.2826 -0.1563 -0.1563 0.1323 0.1323 0.5513 0.5513 0.7272 0.7272 1.2885 1.2885 1.5631 1.5631 1.9574 1.9574 2.0577 2.0577 2.4725 2.4725 3.4428 3.4428 7.6784 7.6784 10.4227 10.4227 13.4803 13.4803 14.7731 14.7731 k = 0.0795 0.5000-0.0000 ( 3444 PWs) bands (ev): -18.4239 -18.4239 -18.1999 -18.1999 -17.2086 -17.2086 -17.1770 -17.1770 -6.1486 -6.1486 -6.0892 -6.0892 -4.0194 -4.0194 -3.9223 -3.9223 -3.8659 -3.8659 -2.4307 -2.4307 -1.3009 -1.3009 -0.2776 -0.2776 -0.1522 -0.1522 0.1316 0.1316 0.5559 0.5559 0.6862 0.6862 1.3368 1.3368 1.5301 1.5301 1.9870 1.9870 2.0426 2.0426 2.4743 2.4743 3.4368 3.4368 7.6962 7.6962 10.4187 10.4187 13.3593 13.3593 14.7894 14.7894 k = 0.0909 0.5000-0.0000 ( 3444 PWs) bands (ev): -18.4198 -18.4198 -18.1994 -18.1994 -17.2081 -17.2081 -17.1796 -17.1796 -6.1475 -6.1475 -6.0897 -6.0897 -4.0171 -4.0171 -3.9239 -3.9239 -3.8670 -3.8670 -2.4780 -2.4780 -1.2503 -1.2503 -0.2724 -0.2724 -0.1475 -0.1475 0.1308 0.1308 0.5610 0.5610 0.6472 0.6472 1.3847 1.3847 1.4975 1.4975 2.0078 2.0078 2.0336 2.0336 2.4763 2.4763 3.4299 3.4299 7.7164 7.7164 10.4141 10.4141 13.2280 13.2280 14.8070 14.8070 k = 0.1023 0.5000-0.0000 ( 3456 PWs) bands (ev): -18.4153 -18.4153 -18.1989 -18.1989 -17.2075 -17.2075 -17.1826 -17.1826 -6.1464 -6.1464 -6.0903 -6.0903 -4.0146 -4.0146 -3.9257 -3.9257 -3.8681 -3.8681 -2.5267 -2.5267 -1.1980 -1.1980 -0.2672 -0.2672 -0.1423 -0.1423 0.1299 0.1299 0.5667 0.5667 0.6104 0.6104 1.4319 1.4319 1.4655 1.4655 1.9966 1.9966 2.0539 2.0539 2.4786 2.4786 3.4221 3.4221 7.7387 7.7387 10.4087 10.4087 13.0885 13.0885 14.8258 14.8258 k = 0.1136 0.5000-0.0000 ( 3452 PWs) bands (ev): -18.4102 -18.4102 -18.1984 -18.1984 -17.2068 -17.2068 -17.1859 -17.1859 -6.1450 -6.1450 -6.0910 -6.0910 -4.0118 -4.0118 -3.9276 -3.9276 -3.8692 -3.8692 -2.5760 -2.5760 -1.1445 -1.1445 -0.2621 -0.2621 -0.1366 -0.1366 0.1289 0.1289 0.5706 0.5706 0.5786 0.5786 1.4323 1.4323 1.4804 1.4804 1.9752 1.9752 2.0819 2.0819 2.4812 2.4812 3.4134 3.4134 7.7629 7.7629 10.4026 10.4026 12.9426 12.9426 14.8460 14.8460 k = 0.1250 0.5000-0.0000 ( 3456 PWs) bands (ev): -18.4047 -18.4047 -18.1978 -18.1978 -17.2061 -17.2061 -17.1896 -17.1896 -6.1436 -6.1436 -6.0917 -6.0917 -4.0089 -4.0089 -3.9298 -3.9298 -3.8704 -3.8704 -2.6256 -2.6256 -1.0904 -1.0904 -0.2577 -0.2577 -0.1304 -0.1304 0.1278 0.1278 0.5435 0.5435 0.5813 0.5813 1.4010 1.4010 1.5269 1.5269 1.9509 1.9509 2.1102 2.1102 2.4840 2.4840 3.4037 3.4037 7.7889 7.7889 10.3957 10.3957 12.7920 12.7920 14.8674 14.8674 k = 0.1364 0.5000-0.0000 ( 3456 PWs) bands (ev): -18.3987 -18.3987 -18.1971 -18.1971 -17.2054 -17.2054 -17.1935 -17.1935 -6.1422 -6.1422 -6.0924 -6.0924 -4.0058 -4.0058 -3.9321 -3.9321 -3.8716 -3.8716 -2.6752 -2.6752 -1.0360 -1.0360 -0.2542 -0.2542 -0.1237 -0.1237 0.1267 0.1267 0.5155 0.5155 0.5889 0.5889 1.3699 1.3699 1.5730 1.5730 1.9247 1.9247 2.1380 2.1380 2.4870 2.4870 3.3930 3.3930 7.8164 7.8164 10.3879 10.3879 12.6381 12.6381 14.8902 14.8902 k = 0.1477 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3923 -18.3923 -18.1964 -18.1964 -17.2046 -17.2046 -17.1977 -17.1977 -6.1406 -6.1406 -6.0932 -6.0932 -4.0027 -4.0027 -3.9345 -3.9345 -3.8727 -3.8727 -2.7244 -2.7244 -0.9815 -0.9815 -0.2520 -0.2520 -0.1167 -0.1167 0.1254 0.1254 0.4910 0.4910 0.5974 0.5974 1.3393 1.3393 1.6185 1.6185 1.8969 1.8969 2.1653 2.1653 2.4901 2.4901 3.3815 3.3815 7.8452 7.8452 10.3792 10.3792 12.4825 12.4825 14.9143 14.9143 k = 0.1591 0.5000-0.0000 ( 3452 PWs) bands (ev): -18.3855 -18.3855 -18.1957 -18.1957 -17.2037 -17.2037 -17.2023 -17.2023 -6.1391 -6.1391 -6.0940 -6.0940 -3.9997 -3.9997 -3.9370 -3.9370 -3.8738 -3.8738 -2.7731 -2.7731 -0.9272 -0.9272 -0.2516 -0.2516 -0.1092 -0.1092 0.1241 0.1241 0.4708 0.4708 0.6064 0.6064 1.3093 1.3093 1.6634 1.6634 1.8676 1.8676 2.1919 2.1919 2.4935 2.4935 3.3689 3.3689 7.8750 7.8750 10.3693 10.3693 12.3262 12.3262 14.9398 14.9398 k = 0.1705 0.5000-0.0000 ( 3452 PWs) bands (ev): -18.3783 -18.3783 -18.1949 -18.1949 -17.2071 -17.2071 -17.2028 -17.2028 -6.1375 -6.1375 -6.0948 -6.0948 -3.9968 -3.9968 -3.9394 -3.9394 -3.8749 -3.8749 -2.8211 -2.8211 -0.8733 -0.8733 -0.2533 -0.2533 -0.1014 -0.1014 0.1227 0.1227 0.4551 0.4551 0.6161 0.6161 1.2799 1.2799 1.7074 1.7074 1.8370 1.8370 2.2177 2.2177 2.4971 2.4971 3.3554 3.3554 7.9055 7.9055 10.3583 10.3583 12.1704 12.1704 14.9667 14.9667 k = 0.1818 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3707 -18.3707 -18.1941 -18.1941 -17.2122 -17.2122 -17.2019 -17.2019 -6.1359 -6.1359 -6.0957 -6.0957 -3.9943 -3.9943 -3.9415 -3.9415 -3.8759 -3.8759 -2.8681 -2.8681 -0.8200 -0.8200 -0.2573 -0.2573 -0.0933 -0.0933 0.1212 0.1212 0.4444 0.4444 0.6264 0.6264 1.2511 1.2511 1.7504 1.7504 1.8054 1.8054 2.2427 2.2427 2.5008 2.5008 3.3410 3.3410 7.9365 7.9365 10.3458 10.3458 12.0163 12.0163 14.9950 14.9950 k = 0.1932 0.5000-0.0000 ( 3456 PWs) bands (ev): -18.3628 -18.3628 -18.1933 -18.1933 -17.2175 -17.2175 -17.2009 -17.2009 -6.1343 -6.1343 -6.0966 -6.0966 -3.9923 -3.9923 -3.9434 -3.9434 -3.8769 -3.8769 -2.9141 -2.9141 -0.7675 -0.7675 -0.2640 -0.2640 -0.0850 -0.0850 0.1197 0.1197 0.4388 0.4388 0.6372 0.6372 1.2231 1.2231 1.7716 1.7716 1.7939 1.7939 2.2670 2.2670 2.5047 2.5047 3.3256 3.3256 7.9678 7.9678 10.3317 10.3317 11.8650 11.8650 15.0247 15.0247 k = 0.2045 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3546 -18.3546 -18.1925 -18.1925 -17.2231 -17.2231 -17.1999 -17.1999 -6.1327 -6.1327 -6.0975 -6.0975 -3.9911 -3.9911 -3.9446 -3.9446 -3.8777 -3.8777 -2.9589 -2.9589 -0.7158 -0.7158 -0.2734 -0.2734 -0.0764 -0.0764 0.1181 0.1181 0.4384 0.4384 0.6485 0.6485 1.1959 1.1959 1.7388 1.7388 1.8346 1.8346 2.2903 2.2903 2.5087 2.5087 3.3092 3.3092 7.9989 7.9989 10.3156 10.3156 11.7174 11.7174 15.0557 15.0557 k = 0.2159 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3462 -18.3462 -18.1916 -18.1916 -17.2288 -17.2288 -17.1989 -17.1989 -6.1312 -6.1312 -6.0984 -6.0984 -3.9909 -3.9909 -3.9451 -3.9451 -3.8784 -3.8784 -3.0024 -3.0024 -0.6651 -0.6651 -0.2853 -0.2853 -0.0677 -0.0677 0.1164 0.1164 0.4431 0.4431 0.6603 0.6603 1.1694 1.1694 1.7048 1.7048 1.8748 1.8748 2.3129 2.3129 2.5127 2.5127 3.2919 3.2919 8.0297 8.0297 10.2972 10.2972 11.5747 11.5747 15.0881 15.0881 k = 0.2273 0.5000-0.0000 ( 3444 PWs) bands (ev): -18.3375 -18.3375 -18.1907 -18.1907 -17.2348 -17.2348 -17.1978 -17.1978 -6.1297 -6.1297 -6.0992 -6.0992 -3.9917 -3.9917 -3.9446 -3.9446 -3.8790 -3.8790 -3.0445 -3.0445 -0.6155 -0.6155 -0.2995 -0.2995 -0.0588 -0.0588 0.1147 0.1147 0.4528 0.4528 0.6726 0.6726 1.1438 1.1438 1.6702 1.6702 1.9140 1.9140 2.3345 2.3345 2.5169 2.5169 3.2736 3.2736 8.0598 8.0598 10.2759 10.2759 11.4382 11.4382 15.1218 15.1218 k = 0.2386 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3286 -18.3286 -18.1898 -18.1898 -17.2409 -17.2409 -17.1968 -17.1968 -6.1284 -6.1284 -6.1001 -6.1001 -3.9936 -3.9936 -3.9435 -3.9435 -3.8794 -3.8794 -3.0852 -3.0852 -0.5672 -0.5672 -0.3156 -0.3156 -0.0499 -0.0499 0.1130 0.1130 0.4669 0.4669 0.6852 0.6852 1.1191 1.1191 1.6353 1.6353 1.9521 1.9521 2.3553 2.3553 2.5212 2.5212 3.2544 3.2544 8.0889 8.0889 10.2512 10.2512 11.3089 11.3089 15.1569 15.1569 k = 0.2500 0.5000-0.0000 ( 3454 PWs) bands (ev): -18.3195 -18.3195 -18.1890 -18.1890 -17.2472 -17.2472 -17.1958 -17.1958 -6.1271 -6.1271 -6.1009 -6.1009 -3.9965 -3.9965 -3.9416 -3.9416 -3.8797 -3.8797 -3.1243 -3.1243 -0.5203 -0.5203 -0.3333 -0.3333 -0.0410 -0.0410 0.1112 0.1112 0.4851 0.4851 0.6982 0.6982 1.0952 1.0952 1.6002 1.6002 1.9889 1.9889 2.3751 2.3751 2.5254 2.5254 3.2343 3.2343 8.1166 8.1166 10.2223 10.2223 11.1883 11.1883 15.1932 15.1932 k = 0.2614 0.5000-0.0000 ( 3448 PWs) bands (ev): -18.3103 -18.3103 -18.1881 -18.1881 -17.2536 -17.2536 -17.1947 -17.1947 -6.1259 -6.1259 -6.1017 -6.1017 -4.0001 -4.0001 -3.9393 -3.9393 -3.8798 -3.8798 -3.1617 -3.1617 -0.4751 -0.4751 -0.3518 -0.3518 -0.0320 -0.0320 0.1095 0.1095 0.5070 0.5070 0.7115 0.7115 1.0723 1.0723 1.5651 1.5651 2.0245 2.0245 2.3941 2.3941 2.5298 2.5298 3.2133 3.2133 8.1427 8.1427 10.1884 10.1884 11.0776 11.0776 15.2307 15.2307 k = 0.2727 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.3010 -18.3010 -18.1872 -18.1872 -17.2601 -17.2601 -17.1937 -17.1937 -6.1248 -6.1248 -6.1023 -6.1023 -4.0043 -4.0043 -3.9368 -3.9368 -3.8797 -3.8797 -3.1974 -3.1974 -0.4329 -0.4329 -0.3697 -0.3697 -0.0231 -0.0231 0.1077 0.1077 0.5322 0.5322 0.7250 0.7250 1.0504 1.0504 1.5301 1.5301 2.0588 2.0588 2.4121 2.4121 2.5341 2.5341 3.1915 3.1915 8.1669 8.1669 10.1491 10.1491 10.9781 10.9781 15.2693 15.2693 k = 0.2841 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.2917 -18.2917 -18.1863 -18.1863 -17.2666 -17.2666 -17.1926 -17.1926 -6.1239 -6.1239 -6.1029 -6.1029 -4.0089 -4.0089 -3.9343 -3.9343 -3.8794 -3.8794 -3.2314 -3.2314 -0.4070 -0.4070 -0.3733 -0.3733 -0.0143 -0.0143 0.1058 0.1058 0.5601 0.5601 0.7386 0.7386 1.0295 1.0295 1.4953 1.4953 2.0918 2.0918 2.4292 2.4292 2.5384 2.5384 3.1689 3.1689 8.1888 8.1888 10.1038 10.1038 10.8907 10.8907 15.3090 15.3090 k = 0.2955 0.5000-0.0000 ( 3444 PWs) bands (ev): -18.2825 -18.2825 -18.1854 -18.1854 -17.2732 -17.2732 -17.1916 -17.1916 -6.1232 -6.1232 -6.1035 -6.1035 -4.0139 -4.0139 -3.9319 -3.9319 -3.8789 -3.8789 -3.2635 -3.2635 -0.4194 -0.4194 -0.3404 -0.3404 -0.0057 -0.0057 0.1040 0.1040 0.5903 0.5903 0.7524 0.7524 1.0095 1.0095 1.4608 1.4608 2.1233 2.1233 2.4453 2.4453 2.5427 2.5427 3.1456 3.1456 8.2081 8.2081 10.0529 10.0529 10.8156 10.8156 15.3495 15.3495 k = 0.3068 0.5000-0.0000 ( 3440 PWs) bands (ev): -18.2732 -18.2732 -18.1846 -18.1846 -17.2798 -17.2798 -17.1906 -17.1906 -6.1227 -6.1227 -6.1038 -6.1038 -4.0190 -4.0190 -3.9296 -3.9296 -3.8782 -3.8782 -3.2938 -3.2938 -0.4387 -0.4387 -0.3020 -0.3020 0.0028 0.0028 0.1022 0.1022 0.6225 0.6225 0.7661 0.7661 0.9906 0.9906 1.4269 1.4269 2.1534 2.1534 2.4606 2.4606 2.5469 2.5469 3.1216 3.1216 8.2246 8.2246 9.9972 9.9972 10.7524 10.7524 15.3858 15.3858 k = 0.3182 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.2641 -18.2641 -18.1837 -18.1837 -17.2863 -17.2863 -17.1897 -17.1897 -6.1223 -6.1223 -6.1041 -6.1041 -4.0242 -4.0242 -3.9276 -3.9276 -3.8773 -3.8773 -3.3222 -3.3222 -0.4587 -0.4587 -0.2644 -0.2644 0.0110 0.0110 0.1005 0.1005 0.6562 0.6562 0.7798 0.7798 0.9728 0.9728 1.3937 1.3937 2.1819 2.1819 2.4749 2.4749 2.5511 2.5511 3.0970 3.0970 8.2380 8.2380 9.9383 9.9383 10.7001 10.7001 15.4055 15.4055 k = 0.3295 0.5000-0.0000 ( 3430 PWs) bands (ev): -18.2552 -18.2552 -18.1829 -18.1829 -17.2928 -17.2928 -17.1887 -17.1887 -6.1220 -6.1220 -6.1042 -6.1042 -4.0296 -4.0296 -3.9258 -3.9258 -3.8761 -3.8761 -3.3486 -3.3486 -0.4785 -0.4785 -0.2281 -0.2281 0.0190 0.0190 0.0987 0.0987 0.6910 0.6910 0.7933 0.7933 0.9560 0.9560 1.3612 1.3612 2.2089 2.2089 2.4882 2.4882 2.5552 2.5552 3.0721 3.0721 8.2480 8.2480 9.8780 9.8780 10.6573 10.6573 15.4254 15.4254 k = 0.3409 0.5000-0.0000 ( 3438 PWs) bands (ev): -18.2464 -18.2464 -18.1822 -18.1822 -17.2991 -17.2991 -17.1878 -17.1878 -6.1220 -6.1220 -6.1043 -6.1043 -4.0349 -4.0349 -3.9244 -3.9244 -3.8749 -3.8749 -3.3731 -3.3731 -0.4977 -0.4977 -0.1935 -0.1935 0.0266 0.0266 0.0970 0.0970 0.7265 0.7265 0.8065 0.8065 0.9403 0.9403 1.3297 1.3297 2.2343 2.2343 2.5007 2.5007 2.5592 2.5592 3.0468 3.0468 8.2547 8.2547 9.8182 9.8182 10.6223 10.6223 15.4476 15.4476 k = 0.3523 0.5000-0.0000 ( 3444 PWs) bands (ev): -18.2380 -18.2380 -18.1814 -18.1814 -17.3053 -17.3053 -17.1870 -17.1870 -6.1221 -6.1221 -6.1042 -6.1042 -4.0403 -4.0403 -3.9232 -3.9232 -3.8736 -3.8736 -3.3957 -3.3957 -0.5162 -0.5162 -0.1607 -0.1607 0.0339 0.0339 0.0954 0.0954 0.7623 0.7623 0.8194 0.8194 0.9258 0.9258 1.2993 1.2993 2.2581 2.2581 2.5121 2.5121 2.5630 2.5630 3.0215 3.0215 8.2579 8.2579 9.7606 9.7606 10.5936 10.5936 15.4725 15.4725 k = 0.3636 0.5000-0.0000 ( 3452 PWs) bands (ev): -18.2298 -18.2298 -18.1808 -18.1808 -17.3113 -17.3113 -17.1862 -17.1862 -6.1223 -6.1223 -6.1041 -6.1041 -4.0455 -4.0455 -3.9222 -3.9222 -3.8723 -3.8723 -3.4164 -3.4164 -0.5337 -0.5337 -0.1297 -0.1297 0.0409 0.0409 0.0938 0.0938 0.7978 0.7978 0.8319 0.8319 0.9125 0.9125 1.2701 1.2701 2.2802 2.2802 2.5226 2.5226 2.5667 2.5667 2.9962 2.9962 8.2577 8.2577 9.7064 9.7064 10.5701 10.5701 15.5000 15.5000 k = 0.3750 0.5000-0.0000 ( 3452 PWs) bands (ev): -18.2221 -18.2221 -18.1801 -18.1801 -17.3170 -17.3170 -17.1854 -17.1854 -6.1225 -6.1225 -6.1039 -6.1039 -4.0505 -4.0505 -3.9215 -3.9215 -3.8709 -3.8709 -3.4351 -3.4351 -0.5501 -0.5501 -0.1007 -0.1007 0.0474 0.0474 0.0924 0.0924 0.8319 0.8319 0.8444 0.8444 0.9009 0.9009 1.2423 1.2423 2.3006 2.3006 2.5322 2.5322 2.5703 2.5703 2.9712 2.9712 8.2544 8.2544 9.6568 9.6568 10.5507 10.5507 15.5304 15.5304 k = 0.3864 0.5000-0.0000 ( 3454 PWs) bands (ev): -18.2148 -18.2148 -18.1795 -18.1795 -17.3224 -17.3224 -17.1847 -17.1847 -6.1228 -6.1228 -6.1037 -6.1037 -4.0554 -4.0554 -3.9210 -3.9210 -3.8697 -3.8697 -3.4520 -3.4520 -0.5654 -0.5654 -0.0737 -0.0737 0.0535 0.0535 0.0910 0.0910 0.8538 0.8538 0.8643 0.8643 0.8935 0.8935 1.2161 1.2161 2.3192 2.3192 2.5409 2.5409 2.5738 2.5738 2.9468 2.9468 8.2484 8.2484 9.6123 9.6123 10.5346 10.5346 15.5638 15.5638 k = 0.3977 0.5000-0.0000 ( 3450 PWs) bands (ev): -18.2079 -18.2079 -18.1789 -18.1789 -17.3275 -17.3275 -17.1840 -17.1840 -6.1231 -6.1231 -6.1035 -6.1035 -4.0599 -4.0599 -3.9206 -3.9206 -3.8685 -3.8685 -3.4670 -3.4670 -0.5795 -0.5795 -0.0488 -0.0488 0.0592 0.0592 0.0898 0.0898 0.8648 0.8648 0.8721 0.8721 0.9081 0.9081 1.1917 1.1917 2.3360 2.3360 2.5485 2.5485 2.5771 2.5771 2.9232 2.9232 8.2400 8.2400 9.5731 9.5731 10.5212 10.5212 15.6001 15.6001 k = 0.4091 0.5000-0.0000 ( 3450 PWs) bands (ev): -18.2017 -18.2017 -18.1784 -18.1784 -17.3322 -17.3322 -17.1834 -17.1834 -6.1235 -6.1235 -6.1033 -6.1033 -4.0642 -4.0642 -3.9203 -3.9203 -3.8674 -3.8674 -3.4802 -3.4802 -0.5923 -0.5923 -0.0262 -0.0262 0.0644 0.0644 0.0888 0.0888 0.8652 0.8652 0.8748 0.8748 0.9370 0.9370 1.1692 1.1692 2.3510 2.3510 2.5552 2.5552 2.5802 2.5802 2.9009 2.9009 8.2301 8.2301 9.5393 9.5393 10.5101 10.5101 15.6394 15.6394 k = 0.4205 0.5000-0.0000 ( 3450 PWs) bands (ev): -18.1960 -18.1960 -18.1779 -18.1779 -17.3364 -17.3364 -17.1829 -17.1829 -6.1238 -6.1238 -6.1030 -6.1030 -4.0681 -4.0681 -3.9201 -3.9201 -3.8665 -3.8665 -3.4917 -3.4917 -0.6036 -0.6036 -0.0060 -0.0060 0.0691 0.0691 0.0879 0.0879 0.8578 0.8578 0.8835 0.8835 0.9654 0.9654 1.1489 1.1489 2.3642 2.3642 2.5610 2.5610 2.5832 2.5832 2.8800 2.8800 8.2191 8.2191 9.5106 9.5106 10.5009 10.5009 15.6817 15.6817 k = 0.4318 0.5000-0.0000 ( 3450 PWs) bands (ev): -18.1910 -18.1910 -18.1775 -18.1775 -17.3402 -17.3402 -17.1824 -17.1824 -6.1241 -6.1241 -6.1029 -6.1029 -4.0716 -4.0716 -3.9200 -3.9200 -3.8657 -3.8657 -3.5015 -3.5015 -0.6136 -0.6136 0.0116 0.0116 0.0734 0.0734 0.0872 0.0872 0.8510 0.8510 0.8913 0.8913 0.9913 0.9913 1.1311 1.1311 2.3756 2.3756 2.5657 2.5657 2.5860 2.5860 2.8610 2.8610 8.2078 8.2078 9.4869 9.4869 10.4934 10.4934 15.7270 15.7270 k = 0.4432 0.5000-0.0000 ( 3454 PWs) bands (ev): -18.1866 -18.1866 -18.1772 -18.1772 -17.3435 -17.3435 -17.1820 -17.1820 -6.1245 -6.1245 -6.1027 -6.1027 -4.0747 -4.0747 -3.9199 -3.9199 -3.8651 -3.8651 -3.5097 -3.5097 -0.6221 -0.6221 0.0264 0.0264 0.0773 0.0773 0.0867 0.0867 0.8451 0.8451 0.8981 0.8981 1.0139 1.0139 1.1161 1.1161 2.3852 2.3852 2.5696 2.5696 2.5885 2.5885 2.8442 2.8442 8.1968 8.1968 9.4676 9.4676 10.4873 10.4873 15.7752 15.7752 k = 0.4545 0.5000-0.0000 ( 3454 PWs) bands (ev): -18.1831 -18.1831 -18.1769 -18.1769 -17.3462 -17.3462 -17.1817 -17.1817 -6.1247 -6.1247 -6.1025 -6.1025 -4.0772 -4.0772 -3.9199 -3.9199 -3.8646 -3.8646 -3.5162 -3.5162 -0.6290 -0.6290 0.0383 0.0383 0.0806 0.0806 0.0866 0.0866 0.8403 0.8403 0.9037 0.9037 1.0323 1.0323 1.1043 1.1043 2.3929 2.3929 2.5727 2.5727 2.5907 2.5907 2.8299 2.8299 8.1870 8.1870 9.4525 9.4525 10.4825 10.4825 15.8261 15.8261 k = 0.4659 0.5000-0.0000 ( 3454 PWs) bands (ev): -18.1803 -18.1803 -18.1766 -18.1766 -17.3484 -17.3484 -17.1814 -17.1814 -6.1249 -6.1249 -6.1024 -6.1024 -4.0792 -4.0792 -3.9198 -3.9198 -3.8642 -3.8642 -3.5213 -3.5213 -0.6345 -0.6345 0.0473 0.0473 0.0833 0.0833 0.0869 0.0869 0.8365 0.8365 0.9082 0.9082 1.0455 1.0455 1.0965 1.0965 2.3989 2.3989 2.5749 2.5749 2.5925 2.5925 2.8184 2.8184 8.1787 8.1787 9.4412 9.4412 10.4788 10.4788 15.8792 15.8792 k = 0.4773 0.5000-0.0000 ( 3456 PWs) bands (ev): -18.1783 -18.1783 -18.1763 -18.1763 -17.3499 -17.3499 -17.1812 -17.1812 -6.1250 -6.1250 -6.1023 -6.1023 -4.0807 -4.0807 -3.9198 -3.9198 -3.8640 -3.8640 -3.5249 -3.5249 -0.6384 -0.6384 0.0533 0.0533 0.0849 0.0849 0.0880 0.0880 0.8338 0.8338 0.9114 0.9114 1.0529 1.0529 1.0932 1.0932 2.4032 2.4032 2.5765 2.5765 2.5939 2.5939 2.8101 2.8101 8.1724 8.1724 9.4333 9.4333 10.4763 10.4763 15.9335 15.9335 k = 0.4886 0.5000-0.0000 ( 3460 PWs) bands (ev): -18.1773 -18.1773 -18.1760 -18.1760 -17.3509 -17.3509 -17.1811 -17.1811 -6.1251 -6.1251 -6.1023 -6.1023 -4.0816 -4.0816 -3.9198 -3.9198 -3.8639 -3.8639 -3.5270 -3.5270 -0.6408 -0.6408 0.0567 0.0567 0.0854 0.0854 0.0892 0.0892 0.8322 0.8322 0.9134 0.9134 1.0556 1.0556 1.0930 1.0930 2.4057 2.4057 2.5774 2.5774 2.5947 2.5947 2.8050 2.8050 8.1685 8.1685 9.4287 9.4287 10.4748 10.4748 15.9841 15.9842 k = 0.5000 0.5000-0.0000 ( 3460 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3512 -17.3512 -17.1811 -17.1811 -6.1252 -6.1252 -6.1023 -6.1023 -4.0819 -4.0819 -3.9198 -3.9198 -3.8638 -3.8638 -3.5277 -3.5277 -0.6416 -0.6416 0.0578 0.0578 0.0855 0.0855 0.0897 0.0897 0.8317 0.8317 0.9140 0.9140 1.0561 1.0561 1.0933 1.0933 2.4065 2.4065 2.5777 2.5777 2.5950 2.5950 2.8033 2.8033 8.1672 8.1672 9.4271 9.4271 10.4743 10.4743 16.0067 16.0067 k = 0.5000 0.5000-0.0000 ( 3460 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3512 -17.3512 -17.1811 -17.1811 -6.1252 -6.1252 -6.1023 -6.1023 -4.0819 -4.0819 -3.9198 -3.9198 -3.8638 -3.8638 -3.5277 -3.5277 -0.6416 -0.6416 0.0578 0.0578 0.0855 0.0855 0.0897 0.0897 0.8317 0.8317 0.9140 0.9140 1.0561 1.0561 1.0933 1.0933 2.4065 2.4065 2.5777 2.5777 2.5950 2.5950 2.8033 2.8033 8.1672 8.1672 9.4271 9.4271 10.4743 10.4743 16.0067 16.0067 k = 0.4918 0.4918-0.0000 ( 3456 PWs) bands (ev): -18.1775 -18.1775 -18.1759 -18.1759 -17.3509 -17.3509 -17.1811 -17.1811 -6.1251 -6.1251 -6.1023 -6.1023 -4.0815 -4.0815 -3.9198 -3.9198 -3.8639 -3.8639 -3.5270 -3.5270 -0.6408 -0.6408 0.0566 0.0566 0.0853 0.0853 0.0893 0.0893 0.8322 0.8322 0.9134 0.9134 1.0556 1.0556 1.0929 1.0929 2.4057 2.4057 2.5774 2.5774 2.5947 2.5947 2.8050 2.8050 8.1686 8.1686 9.4287 9.4287 10.4748 10.4748 15.9779 15.9780 k = 0.4836 0.4836-0.0000 ( 3461 PWs) bands (ev): -18.1794 -18.1794 -18.1753 -18.1753 -17.3499 -17.3499 -17.1812 -17.1812 -6.1250 -6.1250 -6.1024 -6.1024 -4.0806 -4.0806 -3.9198 -3.9198 -3.8640 -3.8640 -3.5247 -3.5247 -0.6383 -0.6383 0.0530 0.0530 0.0837 0.0837 0.0891 0.0891 0.8339 0.8339 0.9113 0.9113 1.0536 1.0536 1.0924 1.0924 2.4030 2.4030 2.5764 2.5764 2.5938 2.5938 2.8103 2.8103 8.1727 8.1727 9.4335 9.4335 10.4763 10.4763 15.9120 15.9120 k = 0.4754 0.4754-0.0000 ( 3457 PWs) bands (ev): -18.1829 -18.1829 -18.1741 -18.1741 -17.3483 -17.3483 -17.1814 -17.1814 -6.1249 -6.1249 -6.1024 -6.1024 -4.0791 -4.0791 -3.9198 -3.9198 -3.8643 -3.8643 -3.5210 -3.5210 -0.6342 -0.6342 0.0467 0.0467 0.0797 0.0797 0.0905 0.0905 0.8366 0.8366 0.9077 0.9077 1.0486 1.0486 1.0933 1.0933 2.3987 2.3987 2.5749 2.5749 2.5924 2.5924 2.8190 2.8190 8.1796 8.1796 9.4414 9.4414 10.4789 10.4789 15.8366 15.8366 k = 0.4672 0.4672-0.0000 ( 3455 PWs) bands (ev): -18.1879 -18.1879 -18.1723 -18.1723 -17.3460 -17.3460 -17.1817 -17.1817 -6.1247 -6.1247 -6.1026 -6.1026 -4.0770 -4.0770 -3.9198 -3.9198 -3.8647 -3.8647 -3.5158 -3.5158 -0.6285 -0.6285 0.0372 0.0372 0.0739 0.0739 0.0935 0.0935 0.8404 0.8404 0.9026 0.9026 1.0396 1.0396 1.0969 1.0969 2.3927 2.3927 2.5726 2.5726 2.5904 2.5904 2.8308 2.8308 8.1892 8.1892 9.4525 9.4525 10.4823 10.4823 15.7569 15.7569 k = 0.4590 0.4590-0.0000 ( 3451 PWs) bands (ev): -18.1942 -18.1942 -18.1700 -18.1700 -17.3432 -17.3432 -17.1820 -17.1820 -6.1244 -6.1244 -6.1027 -6.1027 -4.0744 -4.0744 -3.9198 -3.9198 -3.8653 -3.8653 -3.5090 -3.5090 -0.6211 -0.6211 0.0246 0.0246 0.0668 0.0668 0.0978 0.0978 0.8451 0.8451 0.8956 0.8956 1.0270 1.0270 1.1034 1.1034 2.3850 2.3850 2.5697 2.5697 2.5880 2.5880 2.8455 2.8455 8.2016 8.2016 9.4668 9.4668 10.4866 10.4866 15.6745 15.6745 k = 0.4508 0.4508-0.0000 ( 3451 PWs) bands (ev): -18.2018 -18.2018 -18.1673 -18.1673 -17.3398 -17.3398 -17.1825 -17.1825 -6.1241 -6.1241 -6.1029 -6.1029 -4.0712 -4.0712 -3.9198 -3.9198 -3.8660 -3.8660 -3.5006 -3.5006 -0.6122 -0.6122 0.0090 0.0090 0.0584 0.0584 0.1033 0.1033 0.8505 0.8505 0.8865 0.8865 1.0118 1.0118 1.1123 1.1123 2.3758 2.3758 2.5661 2.5661 2.5851 2.5851 2.8627 2.8627 8.2167 8.2167 9.4843 9.4843 10.4917 10.4917 15.5902 15.5902 k = 0.4426 0.4426-0.0000 ( 3445 PWs) bands (ev): -18.2107 -18.2107 -18.1640 -18.1640 -17.3360 -17.3360 -17.1829 -17.1829 -6.1237 -6.1237 -6.1031 -6.1031 -4.0676 -4.0676 -3.9198 -3.9198 -3.8670 -3.8670 -3.4906 -3.4906 -0.6016 -0.6016 -0.0096 -0.0096 0.0490 0.0490 0.1100 0.1100 0.8564 0.8564 0.8750 0.8750 0.9951 0.9951 1.1232 1.1232 2.3650 2.3650 2.5618 2.5618 2.5817 2.5817 2.8821 2.8821 8.2345 8.2345 9.5049 9.5049 10.4974 10.4974 15.5046 15.5046 k = 0.4344 0.4344-0.0000 ( 3441 PWs) bands (ev): -18.2207 -18.2207 -18.1602 -18.1602 -17.3316 -17.3316 -17.1835 -17.1835 -6.1233 -6.1233 -6.1034 -6.1034 -4.0635 -4.0635 -3.9198 -3.9198 -3.8682 -3.8682 -3.4789 -3.4789 -0.5894 -0.5894 -0.0308 -0.0308 0.0387 0.0387 0.1178 0.1178 0.8570 0.8570 0.8661 0.8661 0.9781 0.9781 1.1358 1.1358 2.3529 2.3529 2.5568 2.5568 2.5781 2.5781 2.9032 2.9032 8.2550 8.2550 9.5288 9.5288 10.5037 10.5037 15.4182 15.4182 k = 0.4262 0.4262-0.0000 ( 3443 PWs) bands (ev): -18.2319 -18.2319 -18.1560 -18.1560 -17.3269 -17.3269 -17.1842 -17.1842 -6.1229 -6.1229 -6.1037 -6.1037 -4.0591 -4.0591 -3.9199 -3.9199 -3.8697 -3.8697 -3.4655 -3.4655 -0.5756 -0.5756 -0.0547 -0.0547 0.0276 0.0276 0.1267 0.1267 0.8395 0.8395 0.8719 0.8719 0.9619 0.9619 1.1498 1.1498 2.3393 2.3393 2.5512 2.5512 2.5740 2.5740 2.9255 2.9255 8.2782 8.2782 9.5559 9.5559 10.5104 10.5104 15.3313 15.3313 k = 0.4180 0.4180-0.0000 ( 3435 PWs) bands (ev): -18.2441 -18.2441 -18.1513 -18.1513 -17.3218 -17.3218 -17.1849 -17.1849 -6.1225 -6.1225 -6.1040 -6.1040 -4.0543 -4.0543 -3.9199 -3.9199 -3.8715 -3.8715 -3.4503 -3.4503 -0.5602 -0.5602 -0.0810 -0.0810 0.0158 0.0158 0.1367 0.1367 0.8166 0.8166 0.8795 0.8795 0.9473 0.9473 1.1651 1.1651 2.3245 2.3245 2.5449 2.5449 2.5695 2.5695 2.9488 2.9488 8.3039 8.3039 9.5862 9.5862 10.5173 10.5173 15.2441 15.2441 k = 0.4098 0.4098-0.0000 ( 3431 PWs) bands (ev): -18.2573 -18.2573 -18.1461 -18.1461 -17.3163 -17.3163 -17.1856 -17.1856 -6.1220 -6.1220 -6.1044 -6.1044 -4.0493 -4.0493 -3.9199 -3.9199 -3.8736 -3.8736 -3.4335 -3.4335 -0.5433 -0.5433 -0.1096 -0.1096 0.0034 0.0034 0.1477 0.1477 0.7897 0.7897 0.8873 0.8873 0.9345 0.9345 1.1815 1.1815 2.3086 2.3086 2.5381 2.5381 2.5647 2.5647 2.9726 2.9726 8.3323 8.3323 9.6197 9.6197 10.5243 10.5243 15.1569 15.1569 k = 0.4016 0.4016-0.0000 ( 3433 PWs) bands (ev): -18.2714 -18.2714 -18.1405 -18.1405 -17.3107 -17.3107 -17.1865 -17.1865 -6.1216 -6.1216 -6.1048 -6.1048 -4.0440 -4.0440 -3.9200 -3.9200 -3.8761 -3.8761 -3.4149 -3.4149 -0.5248 -0.5248 -0.1403 -0.1403 -0.0094 -0.0094 0.1597 0.1597 0.7594 0.7594 0.8949 0.8949 0.9238 0.9238 1.1988 1.1988 2.2916 2.2916 2.5308 2.5308 2.5595 2.5595 2.9965 2.9965 8.3631 8.3631 9.6565 9.6565 10.5312 10.5312 15.0699 15.0699 k = 0.3934 0.3934-0.0000 ( 3435 PWs) bands (ev): -18.2864 -18.2864 -18.1345 -18.1345 -17.3047 -17.3047 -17.1874 -17.1874 -6.1211 -6.1211 -6.1052 -6.1052 -4.0386 -4.0386 -3.9200 -3.9200 -3.8788 -3.8788 -3.3946 -3.3946 -0.5048 -0.5048 -0.1730 -0.1730 -0.0226 -0.0226 0.1728 0.1728 0.7262 0.7262 0.9006 0.9006 0.9165 0.9165 1.2169 1.2169 2.2736 2.2736 2.5231 2.5231 2.5539 2.5539 3.0202 3.0202 8.3965 8.3965 9.6964 9.6964 10.5379 10.5379 14.9833 14.9833 k = 0.3852 0.3852-0.0000 ( 3433 PWs) bands (ev): -18.3021 -18.3021 -18.1281 -18.1281 -17.2987 -17.2987 -17.1883 -17.1883 -6.1207 -6.1207 -6.1057 -6.1057 -4.0330 -4.0330 -3.9201 -3.9201 -3.8819 -3.8819 -3.3726 -3.3726 -0.4834 -0.4834 -0.2076 -0.2076 -0.0361 -0.0361 0.1869 0.1869 0.6909 0.6909 0.8991 0.8991 0.9178 0.9178 1.2358 1.2358 2.2549 2.2549 2.5149 2.5149 2.5479 2.5479 3.0432 3.0432 8.4321 8.4321 9.7397 9.7397 10.5443 10.5443 14.8971 14.8971 k = 0.3770 0.3770-0.0000 ( 3443 PWs) bands (ev): -18.3186 -18.3186 -18.1212 -18.1212 -17.2925 -17.2925 -17.1894 -17.1894 -6.1204 -6.1204 -6.1062 -6.1062 -4.0273 -4.0273 -3.9202 -3.9202 -3.8852 -3.8852 -3.3489 -3.3489 -0.4605 -0.4605 -0.2438 -0.2438 -0.0497 -0.0497 0.2020 0.2020 0.6538 0.6538 0.8929 0.8929 0.9247 0.9247 1.2553 1.2553 2.2354 2.2354 2.5065 2.5065 2.5414 2.5414 3.0654 3.0654 8.4701 8.4701 9.7861 9.7861 10.5502 10.5502 14.8115 14.8115 k = 0.3689 0.3689-0.0000 ( 3439 PWs) bands (ev): -18.3356 -18.3356 -18.1140 -18.1140 -17.2862 -17.2862 -17.1904 -17.1904 -6.1201 -6.1201 -6.1067 -6.1067 -4.0216 -4.0216 -3.9203 -3.9203 -3.8889 -3.8889 -3.3237 -3.3237 -0.4364 -0.4364 -0.2815 -0.2815 -0.0634 -0.0634 0.2180 0.2180 0.6153 0.6153 0.8866 0.8866 0.9328 0.9328 1.2752 1.2752 2.2154 2.2154 2.4977 2.4977 2.5346 2.5346 3.0863 3.0863 8.5103 8.5103 9.8358 9.8358 10.5554 10.5554 14.7267 14.7267 k = 0.3607 0.3607-0.0000 ( 3435 PWs) bands (ev): -18.3532 -18.3532 -18.1064 -18.1064 -17.2798 -17.2798 -17.1915 -17.1915 -6.1198 -6.1198 -6.1072 -6.1072 -4.0158 -4.0158 -3.9205 -3.9205 -3.8928 -3.8928 -3.2969 -3.2969 -0.4115 -0.4115 -0.3200 -0.3200 -0.0771 -0.0771 0.2351 0.2351 0.5757 0.5757 0.8809 0.8809 0.9412 0.9412 1.2956 1.2956 2.1948 2.1948 2.4888 2.4888 2.5273 2.5273 3.1058 3.1058 8.5524 8.5524 9.8886 9.8886 10.5601 10.5601 14.6427 14.6427 k = 0.3525 0.3525-0.0000 ( 3435 PWs) bands (ev): -18.3713 -18.3713 -18.0984 -18.0984 -17.2734 -17.2734 -17.1927 -17.1927 -6.1197 -6.1197 -6.1077 -6.1077 -4.0101 -4.0101 -3.9206 -3.9206 -3.8969 -3.8969 -3.2686 -3.2686 -0.3908 -0.3908 -0.3544 -0.3544 -0.0908 -0.0908 0.2530 0.2530 0.5354 0.5354 0.8761 0.8761 0.9495 0.9495 1.3163 1.3163 2.1739 2.1739 2.4796 2.4796 2.5195 2.5195 3.1236 3.1236 8.5965 8.5965 9.9447 9.9447 10.5639 10.5639 14.5597 14.5597 k = 0.3443 0.3443-0.0000 ( 3427 PWs) bands (ev): -18.3898 -18.3898 -18.0901 -18.0901 -17.2671 -17.2671 -17.1939 -17.1939 -6.1197 -6.1197 -6.1081 -6.1081 -4.0044 -4.0044 -3.9208 -3.9208 -3.9012 -3.9012 -3.2390 -3.2390 -0.4109 -0.4109 -0.3479 -0.3479 -0.1043 -0.1043 0.2719 0.2719 0.4943 0.4943 0.8723 0.8723 0.9578 0.9578 1.3373 1.3373 2.1526 2.1526 2.4703 2.4703 2.5112 2.5112 3.1394 3.1394 8.6422 8.6422 10.0040 10.0040 10.5671 10.5671 14.4776 14.4776 k = 0.3361 0.3361-0.0000 ( 3429 PWs) bands (ev): -18.4087 -18.4087 -18.0815 -18.0815 -17.2607 -17.2607 -17.1951 -17.1951 -6.1198 -6.1198 -6.1086 -6.1086 -3.9988 -3.9988 -3.9209 -3.9209 -3.9058 -3.9058 -3.2080 -3.2080 -0.4523 -0.4523 -0.3201 -0.3201 -0.1176 -0.1176 0.2916 0.2916 0.4528 0.4528 0.8697 0.8697 0.9661 0.9661 1.3584 1.3584 2.1312 2.1312 2.4608 2.4608 2.5025 2.5025 3.1532 3.1532 8.6893 8.6893 10.0664 10.0664 10.5696 10.5696 14.3967 14.3967 k = 0.3279 0.3279-0.0000 ( 3433 PWs) bands (ev): -18.4279 -18.4279 -18.0726 -18.0726 -17.2545 -17.2545 -17.1964 -17.1964 -6.1201 -6.1201 -6.1090 -6.1090 -3.9933 -3.9933 -3.9212 -3.9212 -3.9105 -3.9105 -3.1758 -3.1758 -0.4964 -0.4964 -0.2894 -0.2894 -0.1306 -0.1306 0.3121 0.3121 0.4109 0.4109 0.8683 0.8683 0.9743 0.9743 1.3796 1.3796 2.1097 2.1097 2.4513 2.4513 2.4933 2.4933 3.1646 3.1646 8.7376 8.7376 10.1319 10.1319 10.5716 10.5716 14.3168 14.3168 k = 0.3197 0.3197-0.0000 ( 3429 PWs) bands (ev): -18.4473 -18.4473 -18.0635 -18.0635 -17.2483 -17.2483 -17.1977 -17.1977 -6.1205 -6.1205 -6.1093 -6.1093 -3.9880 -3.9880 -3.9215 -3.9215 -3.9152 -3.9152 -3.1425 -3.1425 -0.5420 -0.5420 -0.2570 -0.2570 -0.1434 -0.1434 0.3327 0.3327 0.3696 0.3696 0.8683 0.8683 0.9825 0.9825 1.4009 1.4009 2.0883 2.0883 2.4416 2.4416 2.4836 2.4836 3.1737 3.1737 8.7868 8.7868 10.2005 10.2005 10.5732 10.5732 14.2382 14.2382 k = 0.3115 0.3115-0.0000 ( 3429 PWs) bands (ev): -18.4669 -18.4669 -18.0540 -18.0540 -17.2422 -17.2422 -17.1990 -17.1990 -6.1211 -6.1211 -6.1096 -6.1096 -3.9829 -3.9829 -3.9223 -3.9223 -3.9194 -3.9194 -3.1082 -3.1082 -0.5886 -0.5886 -0.2234 -0.2234 -0.1558 -0.1558 0.3238 0.3238 0.3584 0.3584 0.8698 0.8698 0.9906 0.9906 1.4222 1.4222 2.0669 2.0669 2.4319 2.4319 2.4735 2.4735 3.1802 3.1802 8.8364 8.8364 10.2721 10.2721 10.5747 10.5747 14.1609 14.1609 k = 0.3033 0.3033-0.0000 ( 3433 PWs) bands (ev): -18.4867 -18.4867 -18.0444 -18.0444 -17.2363 -17.2363 -17.2004 -17.2004 -6.1218 -6.1218 -6.1099 -6.1099 -3.9780 -3.9780 -3.9261 -3.9261 -3.9208 -3.9208 -3.0730 -3.0730 -0.6360 -0.6360 -0.1892 -0.1892 -0.1673 -0.1673 0.2823 0.2823 0.3806 0.3806 0.8729 0.8729 0.9988 0.9988 1.4434 1.4434 2.0456 2.0456 2.4221 2.4221 2.4628 2.4628 3.1841 3.1841 8.8860 8.8860 10.3466 10.3466 10.5765 10.5765 14.0849 14.0849 k = 0.2951 0.2951-0.0000 ( 3429 PWs) bands (ev): -18.5065 -18.5065 -18.0346 -18.0346 -17.2305 -17.2305 -17.2018 -17.2018 -6.1227 -6.1227 -6.1101 -6.1101 -3.9734 -3.9734 -3.9309 -3.9309 -3.9210 -3.9210 -3.0369 -3.0369 -0.6842 -0.6842 -0.1809 -0.1809 -0.1515 -0.1515 0.2398 0.2398 0.4044 0.4044 0.8776 0.8776 1.0071 1.0071 1.4644 1.4644 2.0246 2.0246 2.4122 2.4122 2.4516 2.4516 3.1853 3.1853 8.9351 8.9351 10.4240 10.4240 10.5789 10.5789 14.0104 14.0104 k = 0.2869 0.2869-0.0000 ( 3419 PWs) bands (ev): -18.5264 -18.5264 -18.0245 -18.0245 -17.2248 -17.2248 -17.2032 -17.2032 -6.1237 -6.1237 -6.1104 -6.1104 -3.9692 -3.9692 -3.9360 -3.9360 -3.9208 -3.9208 -3.0001 -3.0001 -0.7329 -0.7329 -0.1919 -0.1919 -0.1151 -0.1151 0.1974 0.1974 0.4292 0.4292 0.8842 0.8842 1.0156 1.0156 1.4853 1.4853 2.0040 2.0040 2.4021 2.4021 2.4400 2.4400 3.1838 3.1838 8.9832 8.9832 10.5041 10.5041 10.5828 10.5828 13.9373 13.9373 k = 0.2787 0.2787-0.0000 ( 3419 PWs) bands (ev): -18.5462 -18.5462 -18.0143 -18.0143 -17.2193 -17.2193 -17.2046 -17.2046 -6.1249 -6.1249 -6.1106 -6.1106 -3.9656 -3.9656 -3.9410 -3.9410 -3.9204 -3.9204 -2.9627 -2.9627 -0.7821 -0.7821 -0.2030 -0.2030 -0.0779 -0.0779 0.1553 0.1553 0.4548 0.4548 0.8925 0.8925 1.0242 1.0242 1.5058 1.5058 1.9837 1.9837 2.3919 2.3919 2.4279 2.4279 3.1794 3.1794 9.0295 9.0295 10.5817 10.5817 10.5937 10.5937 13.8658 13.8658 k = 0.2705 0.2705-0.0000 ( 3417 PWs) bands (ev): -18.5660 -18.5660 -18.0040 -18.0040 -17.2139 -17.2139 -17.2060 -17.2060 -6.1261 -6.1261 -6.1109 -6.1109 -3.9627 -3.9627 -3.9458 -3.9458 -3.9197 -3.9197 -2.9248 -2.9248 -0.8315 -0.8315 -0.2138 -0.2138 -0.0411 -0.0411 0.1147 0.1147 0.4811 0.4811 0.9028 0.9028 1.0332 1.0332 1.5261 1.5261 1.9639 1.9639 2.3814 2.3814 2.4153 2.4153 3.1723 3.1723 9.0734 9.0734 10.5955 10.5955 10.6736 10.6736 13.7959 13.7959 k = 0.2623 0.2623-0.0000 ( 3415 PWs) bands (ev): -18.5857 -18.5857 -17.9936 -17.9936 -17.2088 -17.2088 -17.2074 -17.2074 -6.1274 -6.1274 -6.1112 -6.1112 -3.9609 -3.9609 -3.9499 -3.9499 -3.9186 -3.9186 -2.8864 -2.8864 -0.8812 -0.8812 -0.2242 -0.2242 -0.0090 -0.0090 0.0798 0.0798 0.5082 0.5082 0.9150 0.9150 1.0426 1.0426 1.5459 1.5459 1.9446 1.9446 2.3706 2.3706 2.4023 2.4023 3.1623 3.1623 9.1142 9.1142 10.6072 10.6072 10.7615 10.7615 13.7277 13.7277 k = 0.2541 0.2541-0.0000 ( 3421 PWs) bands (ev): -18.6052 -18.6052 -17.9832 -17.9832 -17.2089 -17.2089 -17.2038 -17.2038 -6.1288 -6.1288 -6.1116 -6.1116 -3.9616 -3.9616 -3.9524 -3.9524 -3.9171 -3.9171 -2.8477 -2.8477 -0.9309 -0.9309 -0.2343 -0.2343 -0.0034 -0.0034 0.0721 0.0721 0.5360 0.5360 0.9291 0.9291 1.0524 1.0524 1.5653 1.5653 1.9259 1.9259 2.3594 2.3594 2.3889 2.3889 3.1495 3.1495 9.1509 9.1509 10.6228 10.6228 10.8518 10.8518 13.6614 13.6614 k = 0.2459 0.2459-0.0000 ( 3419 PWs) bands (ev): -18.6245 -18.6245 -17.9726 -17.9726 -17.2103 -17.2103 -17.1990 -17.1990 -6.1303 -6.1303 -6.1120 -6.1120 -3.9648 -3.9648 -3.9528 -3.9528 -3.9152 -3.9152 -2.8087 -2.8087 -0.9805 -0.9805 -0.2441 -0.2441 -0.0336 -0.0336 0.1013 0.1013 0.5643 0.5643 0.9452 0.9452 1.0627 1.0627 1.5841 1.5841 1.9079 1.9079 2.3478 2.3478 2.3753 2.3753 3.1339 3.1339 9.1831 9.1831 10.6434 10.6434 10.9444 10.9444 13.5970 13.5970 k = 0.2377 0.2377-0.0000 ( 3427 PWs) bands (ev): -18.6435 -18.6435 -17.9621 -17.9621 -17.2117 -17.2117 -17.1944 -17.1944 -6.1318 -6.1318 -6.1124 -6.1124 -3.9691 -3.9691 -3.9527 -3.9527 -3.9128 -3.9128 -2.7695 -2.7695 -1.0299 -1.0299 -0.2536 -0.2536 -0.0733 -0.0733 0.1408 0.1408 0.5933 0.5933 0.9632 0.9632 1.0737 1.0737 1.6023 1.6023 1.8907 1.8907 2.3354 2.3354 2.3614 2.3614 3.1155 3.1155 9.2099 9.2099 10.6695 10.6695 11.0389 11.0389 13.5346 13.5346 k = 0.2295 0.2295-0.0000 ( 3431 PWs) bands (ev): -18.6623 -18.6623 -17.9516 -17.9516 -17.2131 -17.2131 -17.1899 -17.1899 -6.1334 -6.1334 -6.1129 -6.1129 -3.9738 -3.9738 -3.9528 -3.9528 -3.9101 -3.9101 -2.7302 -2.7302 -1.0790 -1.0790 -0.2628 -0.2628 -0.1151 -0.1151 0.1832 0.1832 0.6229 0.6229 0.9832 0.9832 1.0854 1.0854 1.6197 1.6197 1.8743 1.8743 2.3222 2.3222 2.3474 2.3474 3.0945 3.0945 9.2310 9.2310 10.7018 10.7018 11.1352 11.1352 13.4745 13.4745 k = 0.2213 0.2213-0.0000 ( 3433 PWs) bands (ev): -18.6808 -18.6808 -17.9411 -17.9411 -17.2145 -17.2145 -17.1857 -17.1857 -6.1350 -6.1350 -6.1135 -6.1135 -3.9785 -3.9785 -3.9533 -3.9533 -3.9070 -3.9070 -2.6909 -2.6909 -1.1277 -1.1277 -0.2717 -0.2717 -0.1575 -0.1575 0.2272 0.2272 0.6531 0.6531 1.0049 1.0049 1.0978 1.0978 1.6361 1.6361 1.8590 1.8590 2.3081 2.3081 2.3335 2.3335 3.0708 3.0708 9.2462 9.2462 10.7405 10.7405 11.2329 11.2329 13.4167 13.4167 k = 0.2131 0.2131-0.0000 ( 3441 PWs) bands (ev): -18.6990 -18.6990 -17.9307 -17.9307 -17.2159 -17.2159 -17.1816 -17.1816 -6.1367 -6.1367 -6.1141 -6.1141 -3.9831 -3.9831 -3.9541 -3.9541 -3.9038 -3.9038 -2.6516 -2.6516 -1.1758 -1.1758 -0.2803 -0.2803 -0.2002 -0.2002 0.2722 0.2722 0.6837 0.6837 1.0284 1.0284 1.1111 1.1111 1.6513 1.6513 1.8450 1.8450 2.2929 2.2929 2.3196 2.3196 3.0446 3.0446 9.2552 9.2552 10.7859 10.7859 11.3319 11.3319 13.3617 13.3617 k = 0.2049 0.2049-0.0000 ( 3441 PWs) bands (ev): -18.7167 -18.7167 -17.9203 -17.9203 -17.2172 -17.2172 -17.1778 -17.1778 -6.1383 -6.1383 -6.1147 -6.1147 -3.9877 -3.9877 -3.9552 -3.9552 -3.9005 -3.9005 -2.6123 -2.6123 -1.2232 -1.2232 -0.2888 -0.2888 -0.2429 -0.2429 0.3182 0.3182 0.7149 0.7149 1.0535 1.0535 1.1253 1.1253 1.6650 1.6650 1.8327 1.8327 2.2767 2.2767 2.3057 2.3057 3.0158 3.0158 9.2584 9.2584 10.8377 10.8377 11.4316 11.4316 13.3096 13.3096 k = 0.1967 0.1967-0.0000 ( 3445 PWs) bands (ev): -18.7340 -18.7340 -17.9101 -17.9101 -17.2185 -17.2185 -17.1741 -17.1741 -6.1400 -6.1400 -6.1154 -6.1154 -3.9921 -3.9921 -3.9566 -3.9566 -3.8970 -3.8970 -2.5733 -2.5733 -1.2697 -1.2697 -0.2970 -0.2970 -0.2855 -0.2855 0.3651 0.3651 0.7465 0.7465 1.0801 1.0801 1.1404 1.1404 1.6766 1.6766 1.8224 1.8224 2.2595 2.2595 2.2917 2.2917 2.9847 2.9847 9.2560 9.2560 10.8956 10.8956 11.5316 11.5316 13.2609 13.2609 k = 0.1885 0.1885-0.0000 ( 3449 PWs) bands (ev): -18.7508 -18.7508 -17.9001 -17.9001 -17.2198 -17.2198 -17.1707 -17.1707 -6.1418 -6.1418 -6.1161 -6.1161 -3.9964 -3.9964 -3.9581 -3.9581 -3.8936 -3.8936 -2.5344 -2.5344 -1.3154 -1.3154 -0.3283 -0.3283 -0.3048 -0.3048 0.4127 0.4127 0.7785 0.7785 1.1080 1.1080 1.1565 1.1565 1.6856 1.6856 1.8149 1.8149 2.2414 2.2414 2.2774 2.2774 2.9512 2.9512 9.2487 9.2487 10.9593 10.9593 11.6314 11.6314 13.2161 13.2161 k = 0.1803 0.1803-0.0000 ( 3453 PWs) bands (ev): -18.7672 -18.7672 -17.8902 -17.8902 -17.2211 -17.2211 -17.1674 -17.1674 -6.1435 -6.1435 -6.1168 -6.1168 -4.0006 -4.0006 -3.9599 -3.9599 -3.8902 -3.8902 -2.4957 -2.4957 -1.3600 -1.3600 -0.3706 -0.3706 -0.3125 -0.3125 0.4611 0.4611 0.8108 0.8108 1.1371 1.1371 1.1737 1.1737 1.6913 1.6913 1.8107 1.8107 2.2224 2.2224 2.2628 2.2628 2.9155 2.9155 9.2369 9.2369 11.0280 11.0280 11.7301 11.7301 13.1759 13.1759 k = 0.1721 0.1721-0.0000 ( 3457 PWs) bands (ev): -18.7830 -18.7830 -17.8805 -17.8805 -17.2223 -17.2223 -17.1642 -17.1642 -6.1452 -6.1452 -6.1176 -6.1176 -4.0046 -4.0046 -3.9617 -3.9617 -3.8868 -3.8868 -2.4574 -2.4574 -1.4034 -1.4034 -0.4127 -0.4127 -0.3200 -0.3200 0.5102 0.5102 0.8435 0.8435 1.1671 1.1671 1.1919 1.1919 1.6933 1.6933 1.8102 1.8102 2.2028 2.2028 2.2476 2.2476 2.8776 2.8776 9.2213 9.2213 11.1011 11.1011 11.8269 11.8269 13.1411 13.1411 k = 0.1639 0.1639-0.0000 ( 3449 PWs) bands (ev): -18.7983 -18.7983 -17.8711 -17.8711 -17.2235 -17.2235 -17.1613 -17.1613 -6.1469 -6.1469 -6.1184 -6.1184 -4.0084 -4.0084 -3.9637 -3.9637 -3.8834 -3.8834 -2.4194 -2.4194 -1.4456 -1.4456 -0.4545 -0.4545 -0.3272 -0.3272 0.5600 0.5600 0.8765 0.8765 1.1979 1.1979 1.2111 1.2111 1.6918 1.6918 1.8132 1.8132 2.1824 2.1824 2.2320 2.2320 2.8378 2.8378 9.2027 9.2027 11.1778 11.1778 11.9206 11.9206 13.1130 13.1130 k = 0.1557 0.1557-0.0000 ( 3449 PWs) bands (ev): -18.8130 -18.8130 -17.8619 -17.8619 -17.2247 -17.2247 -17.1585 -17.1585 -6.1485 -6.1485 -6.1191 -6.1191 -4.0121 -4.0121 -3.9657 -3.9657 -3.8802 -3.8802 -2.3818 -2.3818 -1.4864 -1.4864 -0.4960 -0.4960 -0.3343 -0.3343 0.6106 0.6106 0.9097 0.9097 1.2290 1.2290 1.2316 1.2316 1.6875 1.6875 1.8190 1.8190 2.1614 2.1614 2.2157 2.2157 2.7960 2.7960 9.1815 9.1815 11.2574 11.2574 12.0094 12.0094 13.0931 13.0931 k = 0.1475 0.1475-0.0000 ( 3453 PWs) bands (ev): -18.8272 -18.8272 -17.8531 -17.8531 -17.2258 -17.2258 -17.1560 -17.1560 -6.1502 -6.1502 -6.1200 -6.1200 -4.0156 -4.0156 -3.9678 -3.9678 -3.8770 -3.8770 -2.3447 -2.3447 -1.5257 -1.5257 -0.5370 -0.5370 -0.3411 -0.3411 0.6618 0.6618 0.9430 0.9430 1.2526 1.2526 1.2609 1.2609 1.6815 1.6815 1.8266 1.8266 2.1397 2.1397 2.1987 2.1987 2.7525 2.7525 9.1584 9.1584 11.3391 11.3391 12.0917 12.0917 13.0833 13.0833 k = 0.1393 0.1393-0.0000 ( 3453 PWs) bands (ev): -18.8407 -18.8407 -17.8445 -17.8445 -17.2269 -17.2269 -17.1535 -17.1535 -6.1518 -6.1518 -6.1208 -6.1208 -4.0189 -4.0189 -3.9699 -3.9699 -3.8739 -3.8739 -2.3080 -2.3080 -1.5635 -1.5635 -0.5775 -0.5775 -0.3477 -0.3477 0.7137 0.7137 0.9765 0.9765 1.2750 1.2750 1.2925 1.2925 1.6745 1.6745 1.8351 1.8351 2.1175 2.1175 2.1810 2.1810 2.7073 2.7073 9.1339 9.1339 11.4219 11.4219 12.1652 12.1652 13.0857 13.0857 k = 0.1311 0.1311-0.0000 ( 3457 PWs) bands (ev): -18.8535 -18.8535 -17.8363 -17.8363 -17.2279 -17.2279 -17.1513 -17.1513 -6.1534 -6.1534 -6.1216 -6.1216 -4.0221 -4.0221 -3.9721 -3.9721 -3.8710 -3.8710 -2.2720 -2.2720 -1.5996 -1.5996 -0.6174 -0.6174 -0.3541 -0.3541 0.7662 0.7662 1.0100 1.0100 1.2983 1.2983 1.3239 1.3239 1.6669 1.6669 1.8441 1.8441 2.0947 2.0947 2.1626 2.1626 2.6605 2.6605 9.1086 9.1086 11.5051 11.5051 12.2280 12.2280 13.1024 13.1024 k = 0.1230 0.1230-0.0000 ( 3459 PWs) bands (ev): -18.8657 -18.8657 -17.8284 -17.8284 -17.2289 -17.2289 -17.1492 -17.1492 -6.1549 -6.1549 -6.1224 -6.1224 -4.0250 -4.0250 -3.9742 -3.9742 -3.8682 -3.8682 -2.2366 -2.2366 -1.6339 -1.6339 -0.6567 -0.6567 -0.3602 -0.3602 0.8194 0.8194 1.0436 1.0436 1.3226 1.3226 1.3549 1.3549 1.6593 1.6593 1.8532 1.8532 2.0714 2.0714 2.1433 2.1433 2.6123 2.6123 9.0828 9.0828 11.5874 11.5874 12.2791 12.2791 13.1346 13.1346 k = 0.1148 0.1148-0.0000 ( 3455 PWs) bands (ev): -18.8772 -18.8772 -17.8209 -17.8209 -17.2298 -17.2298 -17.1473 -17.1473 -6.1564 -6.1564 -6.1231 -6.1231 -4.0278 -4.0278 -3.9763 -3.9763 -3.8655 -3.8655 -2.2019 -2.2019 -1.6665 -1.6665 -0.6951 -0.6951 -0.3661 -0.3661 0.8732 0.8732 1.0770 1.0770 1.3478 1.3478 1.3852 1.3852 1.6517 1.6517 1.8621 1.8621 2.0477 2.0477 2.1233 2.1233 2.5629 2.5629 9.0571 9.0571 11.6678 11.6678 12.3188 12.3188 13.1822 13.1822 k = 0.1066 0.1066-0.0000 ( 3461 PWs) bands (ev): -18.8880 -18.8880 -17.8139 -17.8139 -17.2306 -17.2306 -17.1455 -17.1455 -6.1578 -6.1578 -6.1239 -6.1239 -4.0304 -4.0304 -3.9783 -3.9783 -3.8630 -3.8630 -2.1680 -2.1680 -1.6971 -1.6971 -0.7326 -0.7326 -0.3716 -0.3716 0.9275 0.9275 1.1103 1.1103 1.3738 1.3738 1.4146 1.4146 1.6444 1.6444 1.8707 1.8707 2.0236 2.0236 2.1025 2.1025 2.5123 2.5123 9.0317 9.0317 11.7449 11.7449 12.3489 12.3489 13.2438 13.2438 k = 0.0984 0.0984-0.0000 ( 3463 PWs) bands (ev): -18.8980 -18.8980 -17.8072 -17.8072 -17.2314 -17.2314 -17.1439 -17.1439 -6.1591 -6.1591 -6.1246 -6.1246 -4.0328 -4.0328 -3.9802 -3.9802 -3.8606 -3.8606 -2.1351 -2.1351 -1.7258 -1.7258 -0.7691 -0.7691 -0.3769 -0.3769 0.9822 0.9822 1.1434 1.1434 1.4006 1.4006 1.4428 1.4428 1.6375 1.6375 1.8788 1.8788 1.9991 1.9991 2.0809 2.0809 2.4608 2.4608 9.0071 9.0071 11.8169 11.8169 12.3728 12.3728 13.3168 13.3168 k = 0.0902 0.0902-0.0000 ( 3463 PWs) bands (ev): -18.9073 -18.9073 -17.8010 -17.8010 -17.2322 -17.2322 -17.1424 -17.1424 -6.1604 -6.1604 -6.1253 -6.1253 -4.0350 -4.0350 -3.9821 -3.9821 -3.8584 -3.8584 -2.1033 -2.1033 -1.7524 -1.7524 -0.8043 -0.8043 -0.3818 -0.3818 1.0373 1.0373 1.1761 1.1761 1.4280 1.4280 1.4695 1.4695 1.6311 1.6311 1.8863 1.8863 1.9745 1.9745 2.0586 2.0586 2.4085 2.4085 8.9834 8.9834 11.8821 11.8821 12.3939 12.3939 13.3982 13.3982 k = 0.0820 0.0820-0.0000 ( 3451 PWs) bands (ev): -18.9159 -18.9159 -17.7953 -17.7953 -17.2328 -17.2328 -17.1410 -17.1410 -6.1615 -6.1615 -6.1259 -6.1259 -4.0370 -4.0370 -3.9839 -3.9839 -3.8563 -3.8563 -2.0727 -2.0727 -1.7769 -1.7769 -0.8380 -0.8380 -0.3864 -0.3864 1.0926 1.0926 1.2083 1.2083 1.4560 1.4560 1.4946 1.4946 1.6253 1.6253 1.8932 1.8932 1.9497 1.9497 2.0356 2.0356 2.3556 2.3556 8.9609 8.9609 11.9384 11.9384 12.4157 12.4157 13.4853 13.4853 k = 0.0738 0.0738-0.0000 ( 3451 PWs) bands (ev): -18.9237 -18.9237 -17.7901 -17.7901 -17.2335 -17.2335 -17.1398 -17.1398 -6.1626 -6.1626 -6.1265 -6.1265 -4.0388 -4.0388 -3.9855 -3.9855 -3.8545 -3.8545 -2.0436 -2.0436 -1.7992 -1.7992 -0.8701 -0.8701 -0.3906 -0.3906 1.1481 1.1481 1.2399 1.2399 1.4844 1.4844 1.5178 1.5178 1.6201 1.6201 1.8992 1.8992 1.9249 1.9249 2.0119 2.0119 2.3024 2.3024 8.9400 8.9400 11.9844 11.9844 12.4408 12.4408 13.5754 13.5754 k = 0.0656 0.0656-0.0000 ( 3449 PWs) bands (ev): -18.9306 -18.9306 -17.7854 -17.7854 -17.2340 -17.2340 -17.1388 -17.1388 -6.1635 -6.1635 -6.1271 -6.1271 -4.0404 -4.0404 -3.9870 -3.9870 -3.8528 -3.8528 -2.0162 -2.0162 -1.8194 -1.8194 -0.9003 -0.9003 -0.3944 -0.3944 1.2034 1.2034 1.2706 1.2706 1.5131 1.5131 1.5389 1.5389 1.6157 1.6157 1.8999 1.8999 1.9046 1.9046 1.9879 1.9879 2.2492 2.2492 8.9207 8.9207 12.0194 12.0194 12.4705 12.4705 13.6663 13.6663 k = 0.0574 0.0574-0.0000 ( 3449 PWs) bands (ev): -18.9368 -18.9368 -17.7812 -17.7812 -17.2345 -17.2345 -17.1378 -17.1378 -6.1644 -6.1644 -6.1276 -6.1276 -4.0418 -4.0418 -3.9884 -3.9884 -3.8512 -3.8512 -1.9908 -1.9908 -1.8372 -1.8372 -0.9282 -0.9282 -0.3978 -0.3978 1.2582 1.2582 1.3003 1.3003 1.5413 1.5413 1.5580 1.5580 1.6122 1.6122 1.8761 1.8761 1.9075 1.9075 1.9641 1.9641 2.1964 2.1964 8.9033 8.9033 12.0442 12.0442 12.5040 12.5040 13.7557 13.7557 k = 0.0492 0.0492-0.0000 ( 3445 PWs) bands (ev): -18.9422 -18.9422 -17.7775 -17.7775 -17.2350 -17.2350 -17.1370 -17.1370 -6.1652 -6.1652 -6.1280 -6.1280 -4.0431 -4.0431 -3.9895 -3.9895 -3.8499 -3.8499 -1.9677 -1.9677 -1.8527 -1.8527 -0.9536 -0.9536 -0.4008 -0.4008 1.3117 1.3117 1.3292 1.3292 1.5652 1.5652 1.5781 1.5781 1.6102 1.6102 1.8527 1.8527 1.9068 1.9068 1.9429 1.9429 2.1447 2.1447 8.8879 8.8879 12.0606 12.0606 12.5395 12.5395 13.8416 13.8416 k = 0.0410 0.0410-0.0000 ( 3445 PWs) bands (ev): -18.9468 -18.9468 -17.7744 -17.7744 -17.2353 -17.2353 -17.1363 -17.1363 -6.1658 -6.1658 -6.1284 -6.1284 -4.0441 -4.0441 -3.9906 -3.9906 -3.8488 -3.8488 -1.9472 -1.9472 -1.8659 -1.8659 -0.9760 -0.9760 -0.4034 -0.4034 1.3523 1.3523 1.3675 1.3675 1.5785 1.5785 1.6033 1.6033 1.6114 1.6114 1.8306 1.8306 1.8954 1.8954 1.9308 1.9308 2.0949 2.0949 8.8747 8.8747 12.0706 12.0706 12.5745 12.5745 13.9214 13.9214 k = 0.0328 0.0328-0.0000 ( 3439 PWs) bands (ev): -18.9506 -18.9506 -17.7718 -17.7718 -17.2356 -17.2356 -17.1358 -17.1358 -6.1664 -6.1664 -6.1287 -6.1287 -4.0450 -4.0450 -3.9914 -3.9914 -3.8478 -3.8478 -1.9299 -1.9299 -1.8766 -1.8766 -0.9951 -0.9951 -0.4055 -0.4055 1.3768 1.3768 1.4174 1.4174 1.5846 1.5846 1.6110 1.6110 1.6345 1.6345 1.8102 1.8102 1.8735 1.8735 1.9277 1.9277 2.0485 2.0485 8.8637 8.8637 12.0764 12.0764 12.6066 12.6066 13.9927 13.9927 k = 0.0246 0.0246-0.0000 ( 3431 PWs) bands (ev): -18.9535 -18.9535 -17.7698 -17.7698 -17.2359 -17.2359 -17.1354 -17.1354 -6.1668 -6.1668 -6.1289 -6.1289 -4.0456 -4.0456 -3.9921 -3.9921 -3.8471 -3.8471 -1.9161 -1.9161 -1.8848 -1.8848 -1.0104 -1.0104 -0.4072 -0.4072 1.3969 1.3969 1.4648 1.4648 1.5862 1.5862 1.6137 1.6137 1.6632 1.6632 1.7922 1.7922 1.8483 1.8483 1.9261 1.9261 2.0080 2.0080 8.8551 8.8551 12.0795 12.0795 12.6336 12.6336 14.0526 14.0526 k = 0.0164 0.0164-0.0000 ( 3431 PWs) bands (ev): -18.9556 -18.9556 -17.7684 -17.7684 -17.2360 -17.2360 -17.1351 -17.1351 -6.1671 -6.1671 -6.1291 -6.1291 -4.0461 -4.0461 -3.9926 -3.9926 -3.8466 -3.8466 -1.9065 -1.9065 -1.8900 -1.8900 -1.0217 -1.0217 -0.4084 -0.4084 1.4125 1.4125 1.5069 1.5069 1.5854 1.5854 1.6141 1.6141 1.6915 1.6915 1.7768 1.7768 1.8232 1.8232 1.9222 1.9222 1.9775 1.9775 8.8489 8.8489 12.0809 12.0809 12.6540 12.6540 14.0982 14.0982 k = 0.0082 0.0082-0.0000 ( 3431 PWs) bands (ev): -18.9568 -18.9568 -17.7675 -17.7675 -17.2361 -17.2361 -17.1349 -17.1349 -6.1672 -6.1672 -6.1292 -6.1292 -4.0464 -4.0464 -3.9929 -3.9929 -3.8463 -3.8463 -1.9021 -1.9021 -1.8918 -1.8918 -1.0286 -1.0286 -0.4091 -0.4091 1.4224 1.4224 1.5405 1.5405 1.5822 1.5822 1.6116 1.6116 1.7186 1.7186 1.7625 1.7625 1.8024 1.8024 1.9153 1.9153 1.9612 1.9612 8.8451 8.8451 12.0816 12.0816 12.6667 12.6667 14.1269 14.1269 k = 0.0000 0.0000 0.0000 ( 3443 PWs) bands (ev): -18.9573 -18.9573 -17.7672 -17.7672 -17.2362 -17.2362 -17.1348 -17.1348 -6.1673 -6.1673 -6.1292 -6.1292 -4.0465 -4.0465 -3.9930 -3.9930 -3.8462 -3.8462 -1.9013 -1.9013 -1.8916 -1.8916 -1.0309 -1.0309 -0.4094 -0.4094 1.4258 1.4258 1.5571 1.5571 1.5775 1.5775 1.6096 1.6096 1.7392 1.7392 1.7477 1.7477 1.7938 1.7938 1.9113 1.9113 1.9567 1.9567 8.8439 8.8439 12.0817 12.0817 12.6710 12.6710 14.1366 14.1366 k = 0.0000 0.0000 0.0000 ( 3443 PWs) bands (ev): -18.9573 -18.9573 -17.7672 -17.7672 -17.2362 -17.2362 -17.1348 -17.1348 -6.1673 -6.1673 -6.1292 -6.1292 -4.0465 -4.0465 -3.9930 -3.9930 -3.8462 -3.8462 -1.9013 -1.9013 -1.8916 -1.8916 -1.0309 -1.0309 -0.4094 -0.4094 1.4258 1.4258 1.5571 1.5571 1.5775 1.5775 1.6096 1.6096 1.7392 1.7392 1.7477 1.7477 1.7938 1.7938 1.9113 1.9113 1.9567 1.9567 8.8439 8.8439 12.0817 12.0817 12.6710 12.6710 14.1366 14.1366 k = 0.0000 0.0000 0.0114 ( 3435 PWs) bands (ev): -18.9572 -18.9572 -17.7672 -17.7672 -17.2367 -17.2367 -17.1343 -17.1343 -6.1673 -6.1673 -6.1292 -6.1292 -4.0465 -4.0465 -3.9930 -3.9930 -3.8462 -3.8462 -1.9012 -1.9012 -1.8916 -1.8916 -1.0307 -1.0307 -0.4086 -0.4086 1.4258 1.4258 1.5389 1.5389 1.5783 1.5783 1.6096 1.6096 1.7454 1.7454 1.7561 1.7561 1.7918 1.7918 1.9140 1.9140 1.9588 1.9588 8.8398 8.8398 12.0854 12.0854 12.6727 12.6727 14.1366 14.1366 k = 0.0000 0.0000 0.0228 ( 3435 PWs) bands (ev): -18.9571 -18.9571 -17.7672 -17.7672 -17.2384 -17.2384 -17.1327 -17.1327 -6.1673 -6.1673 -6.1292 -6.1292 -4.0465 -4.0465 -3.9931 -3.9931 -3.8462 -3.8462 -1.9010 -1.9010 -1.8914 -1.8914 -1.0302 -1.0302 -0.4064 -0.4064 1.4259 1.4259 1.4978 1.4978 1.5788 1.5788 1.6097 1.6097 1.7392 1.7392 1.7860 1.7860 1.7947 1.7947 1.9216 1.9216 1.9645 1.9645 8.8275 8.8275 12.0964 12.0964 12.6777 12.6777 14.1364 14.1364 k = 0.0000 0.0000 0.0341 ( 3427 PWs) bands (ev): -18.9570 -18.9570 -17.7672 -17.7672 -17.2410 -17.2410 -17.1303 -17.1303 -6.1673 -6.1673 -6.1293 -6.1293 -4.0465 -4.0465 -3.9932 -3.9932 -3.8463 -3.8463 -1.9007 -1.9007 -1.8910 -1.8910 -1.0294 -1.0294 -0.4026 -0.4026 1.4259 1.4259 1.4474 1.4474 1.5789 1.5789 1.6097 1.6097 1.7297 1.7297 1.7772 1.7772 1.8408 1.8408 1.9344 1.9344 1.9731 1.9731 8.8074 8.8074 12.1139 12.1139 12.6865 12.6865 14.1360 14.1360 k = 0.0000 0.0000 0.0455 ( 3411 PWs) bands (ev): -18.9568 -18.9568 -17.7672 -17.7672 -17.2444 -17.2444 -17.1270 -17.1270 -6.1673 -6.1673 -6.1293 -6.1293 -4.0466 -4.0466 -3.9933 -3.9933 -3.8463 -3.8463 -1.9002 -1.9002 -1.8906 -1.8906 -1.0283 -1.0283 -0.3974 -0.3974 1.3932 1.3932 1.4260 1.4260 1.5790 1.5790 1.6097 1.6097 1.7179 1.7179 1.7662 1.7662 1.8858 1.8858 1.9539 1.9539 1.9839 1.9839 8.7801 8.7801 12.1369 12.1369 12.6994 12.6994 14.1355 14.1355 k = 0.0000 0.0000 0.0569 ( 3419 PWs) bands (ev): -18.9566 -18.9566 -17.7672 -17.7672 -17.2484 -17.2484 -17.1233 -17.1233 -6.1673 -6.1673 -6.1294 -6.1294 -4.0466 -4.0466 -3.9936 -3.9936 -3.8465 -3.8465 -1.8995 -1.8995 -1.8901 -1.8901 -1.0269 -1.0269 -0.3906 -0.3906 1.3373 1.3373 1.4261 1.4261 1.5791 1.5791 1.6097 1.6097 1.7047 1.7047 1.7537 1.7537 1.9216 1.9216 1.9852 1.9852 1.9962 1.9962 8.7462 8.7462 12.1639 12.1639 12.7170 12.7170 14.1350 14.1350 k = 0.0000 0.0000 0.0683 ( 3423 PWs) bands (ev): -18.9563 -18.9563 -17.7672 -17.7672 -17.2529 -17.2529 -17.1191 -17.1191 -6.1674 -6.1674 -6.1294 -6.1294 -4.0467 -4.0467 -3.9939 -3.9939 -3.8466 -3.8466 -1.8988 -1.8988 -1.8894 -1.8894 -1.0253 -1.0253 -0.3824 -0.3824 1.2807 1.2807 1.4262 1.4262 1.5791 1.5791 1.6097 1.6097 1.6906 1.6906 1.7404 1.7404 1.9462 1.9462 2.0092 2.0092 2.0290 2.0290 8.7068 8.7068 12.1933 12.1933 12.7402 12.7402 14.1342 14.1342 k = 0.0000 0.0000 0.0797 ( 3423 PWs) bands (ev): -18.9560 -18.9560 -17.7672 -17.7672 -17.2577 -17.2577 -17.1146 -17.1146 -6.1674 -6.1674 -6.1295 -6.1295 -4.0468 -4.0468 -3.9942 -3.9942 -3.8467 -3.8467 -1.8980 -1.8980 -1.8887 -1.8887 -1.0234 -1.0234 -0.3726 -0.3726 1.2239 1.2239 1.4263 1.4263 1.5791 1.5791 1.6098 1.6098 1.6761 1.6761 1.7265 1.7265 1.9650 1.9650 2.0227 2.0227 2.0785 2.0785 8.6626 8.6626 12.2234 12.2234 12.7697 12.7697 14.1334 14.1334 k = 0.0000 0.0000 0.0910 ( 3423 PWs) bands (ev): -18.9556 -18.9556 -17.7672 -17.7672 -17.2628 -17.2628 -17.1099 -17.1099 -6.1674 -6.1674 -6.1296 -6.1296 -4.0469 -4.0469 -3.9946 -3.9946 -3.8469 -3.8469 -1.8970 -1.8970 -1.8879 -1.8879 -1.0214 -1.0214 -0.3613 -0.3613 1.1672 1.1672 1.4264 1.4264 1.5792 1.5792 1.6098 1.6098 1.6615 1.6615 1.7125 1.7125 1.9816 1.9816 2.0364 2.0364 2.1296 2.1296 8.6146 8.6146 12.2525 12.2525 12.8059 12.8059 14.1325 14.1325 k = 0.0000 0.0000 0.1024 ( 3427 PWs) bands (ev): -18.9552 -18.9552 -17.7672 -17.7672 -17.2679 -17.2679 -17.1052 -17.1052 -6.1675 -6.1675 -6.1298 -6.1298 -4.0470 -4.0470 -3.9950 -3.9950 -3.8471 -3.8471 -1.8960 -1.8960 -1.8870 -1.8870 -1.0193 -1.0193 -0.3484 -0.3484 1.1108 1.1108 1.4265 1.4265 1.5792 1.5792 1.6099 1.6099 1.6470 1.6470 1.6985 1.6985 1.9971 1.9971 2.0499 2.0499 2.1806 2.1806 8.5638 8.5638 12.2792 12.2792 12.8492 12.8492 14.1316 14.1316 k = 0.0000 0.0000 0.1138 ( 3427 PWs) bands (ev): -18.9548 -18.9548 -17.7672 -17.7672 -17.2730 -17.2730 -17.1005 -17.1005 -6.1675 -6.1675 -6.1299 -6.1299 -4.0471 -4.0471 -3.9954 -3.9954 -3.8472 -3.8472 -1.8949 -1.8949 -1.8860 -1.8860 -1.0171 -1.0171 -0.3341 -0.3341 1.0551 1.0551 1.4266 1.4266 1.5793 1.5793 1.6099 1.6099 1.6327 1.6327 1.6848 1.6848 2.0118 2.0118 2.0633 2.0633 2.2308 2.2308 8.5112 8.5112 12.3028 12.3028 12.8992 12.8992 14.1306 14.1306 k = 0.0000 0.0000 0.1252 ( 3427 PWs) bands (ev): -18.9544 -18.9544 -17.7672 -17.7672 -17.2781 -17.2781 -17.0959 -17.0959 -6.1675 -6.1675 -6.1300 -6.1300 -4.0472 -4.0472 -3.9959 -3.9959 -3.8474 -3.8474 -1.8938 -1.8938 -1.8850 -1.8850 -1.0149 -1.0149 -0.3184 -0.3184 1.0001 1.0001 1.4267 1.4267 1.5793 1.5793 1.6099 1.6099 1.6189 1.6189 1.6714 1.6714 2.0258 2.0258 2.0762 2.0762 2.2797 2.2797 8.4575 8.4575 12.3230 12.3230 12.9552 12.9552 14.1295 14.1295 k = 0.0000 0.0000 0.1366 ( 3427 PWs) bands (ev): -18.9539 -18.9539 -17.7672 -17.7672 -17.2831 -17.2831 -17.0914 -17.0914 -6.1675 -6.1675 -6.1302 -6.1302 -4.0473 -4.0473 -3.9963 -3.9963 -3.8476 -3.8476 -1.8927 -1.8927 -1.8840 -1.8840 -1.0127 -1.0127 -0.3012 -0.3012 0.9460 0.9460 1.4269 1.4269 1.5793 1.5793 1.6056 1.6056 1.6100 1.6100 1.6585 1.6585 2.0391 2.0391 2.0886 2.0886 2.3268 2.3268 8.4037 8.4037 12.3399 12.3399 13.0158 13.0158 14.1284 14.1284 k = 0.0000 0.0000 0.1479 ( 3427 PWs) bands (ev): -18.9535 -18.9535 -17.7672 -17.7672 -17.2878 -17.2878 -17.0871 -17.0871 -6.1675 -6.1675 -6.1303 -6.1303 -4.0474 -4.0474 -3.9968 -3.9968 -3.8478 -3.8478 -1.8915 -1.8915 -1.8830 -1.8830 -1.0105 -1.0105 -0.2828 -0.2828 0.8930 0.8930 1.4270 1.4270 1.5793 1.5793 1.5930 1.5930 1.6100 1.6100 1.6463 1.6463 2.0517 2.0517 2.1004 2.1004 2.3720 2.3720 8.3506 8.3506 12.3537 12.3537 13.0798 13.0798 14.1273 14.1273 k = 0.0000 0.0000 0.1593 ( 3435 PWs) bands (ev): -18.9530 -18.9530 -17.7672 -17.7672 -17.2924 -17.2924 -17.0830 -17.0830 -6.1676 -6.1676 -6.1304 -6.1304 -4.0475 -4.0475 -3.9972 -3.9972 -3.8480 -3.8480 -1.8904 -1.8904 -1.8820 -1.8820 -1.0084 -1.0084 -0.2632 -0.2632 0.8414 0.8414 1.4271 1.4271 1.5790 1.5790 1.5814 1.5814 1.6100 1.6100 1.6347 1.6347 2.0634 2.0634 2.1115 2.1115 2.4148 2.4148 8.2989 8.2989 12.3648 12.3648 13.1456 13.1456 14.1262 14.1262 k = 0.0000 0.0000 0.1707 ( 3439 PWs) bands (ev): -18.9526 -18.9526 -17.7672 -17.7672 -17.2966 -17.2966 -17.0792 -17.0792 -6.1676 -6.1676 -6.1306 -6.1306 -4.0476 -4.0476 -3.9977 -3.9977 -3.8482 -3.8482 -1.8892 -1.8892 -1.8810 -1.8810 -1.0064 -1.0064 -0.2425 -0.2425 0.7913 0.7913 1.4272 1.4272 1.5697 1.5697 1.5796 1.5796 1.6101 1.6101 1.6239 1.6239 2.0744 2.0744 2.1218 2.1218 2.4551 2.4551 8.2492 8.2492 12.3739 12.3739 13.2116 13.2116 14.1251 14.1251 k = 0.0000 0.0000 0.1821 ( 3443 PWs) bands (ev): -18.9522 -18.9522 -17.7672 -17.7672 -17.3006 -17.3006 -17.0757 -17.0757 -6.1677 -6.1677 -6.1307 -6.1307 -4.0477 -4.0477 -3.9981 -3.9981 -3.8484 -3.8484 -1.8881 -1.8881 -1.8800 -1.8800 -1.0046 -1.0046 -0.2211 -0.2211 0.7430 0.7430 1.4274 1.4274 1.5595 1.5595 1.5796 1.5796 1.6100 1.6100 1.6140 1.6140 2.0844 2.0844 2.1314 2.1314 2.4925 2.4925 8.2023 8.2023 12.3811 12.3811 13.2765 13.2765 14.1241 14.1241 k = 0.0000 0.0000 0.1934 ( 3439 PWs) bands (ev): -18.9518 -18.9518 -17.7672 -17.7672 -17.3042 -17.3042 -17.0725 -17.0725 -6.1677 -6.1677 -6.1308 -6.1308 -4.0478 -4.0478 -3.9985 -3.9985 -3.8486 -3.8486 -1.8871 -1.8871 -1.8791 -1.8791 -1.0029 -1.0029 -0.1990 -0.1990 0.6969 0.6969 1.4275 1.4275 1.5501 1.5501 1.5796 1.5796 1.6047 1.6047 1.6103 1.6103 2.0935 2.0935 2.1401 2.1401 2.5269 2.5269 8.1587 8.1587 12.3869 12.3869 13.3389 13.3389 14.1231 14.1231 k = 0.0000 0.0000 0.2048 ( 3443 PWs) bands (ev): -18.9514 -18.9514 -17.7672 -17.7672 -17.3075 -17.3075 -17.0696 -17.0696 -6.1677 -6.1677 -6.1310 -6.1310 -4.0479 -4.0479 -3.9989 -3.9989 -3.8487 -3.8487 -1.8862 -1.8862 -1.8783 -1.8783 -1.0014 -1.0014 -0.1769 -0.1769 0.6533 0.6533 1.4276 1.4276 1.5418 1.5418 1.5796 1.5796 1.5966 1.5966 1.6103 1.6103 2.1016 2.1016 2.1478 2.1478 2.5579 2.5579 8.1189 8.1189 12.3914 12.3914 13.3975 13.3975 14.1222 14.1222 k = 0.0000 0.0000 0.2162 ( 3464 PWs) bands (ev): -18.9512 -18.9512 -17.7672 -17.7672 -17.3104 -17.3104 -17.0671 -17.0671 -6.1678 -6.1678 -6.1311 -6.1311 -4.0481 -4.0481 -3.9993 -3.9993 -3.8489 -3.8489 -1.8853 -1.8853 -1.8775 -1.8775 -1.0000 -1.0000 -0.1550 -0.1550 0.6129 0.6129 1.4277 1.4277 1.5344 1.5344 1.5796 1.5796 1.5894 1.5894 1.6102 1.6102 2.1087 2.1087 2.1546 2.1546 2.5853 2.5853 8.0834 8.0834 12.3951 12.3951 13.4510 13.4510 14.1214 14.1214 k = 0.0000 0.0000 0.2276 ( 3464 PWs) bands (ev): -18.9509 -18.9509 -17.7672 -17.7672 -17.3128 -17.3128 -17.0649 -17.0649 -6.1678 -6.1678 -6.1312 -6.1312 -4.0481 -4.0481 -3.9996 -3.9996 -3.8490 -3.8490 -1.8846 -1.8846 -1.8769 -1.8769 -0.9989 -0.9989 -0.1341 -0.1341 0.5762 0.5762 1.4278 1.4278 1.5281 1.5281 1.5796 1.5796 1.5833 1.5833 1.6103 1.6103 2.1148 2.1148 2.1604 2.1604 2.6089 2.6089 8.0527 8.0527 12.3979 12.3979 13.4983 13.4983 14.1207 14.1207 k = 0.0000 0.0000 0.2390 ( 3460 PWs) bands (ev): -18.9506 -18.9506 -17.7672 -17.7672 -17.3149 -17.3149 -17.0632 -17.0632 -6.1678 -6.1678 -6.1312 -6.1312 -4.0482 -4.0482 -3.9998 -3.9998 -3.8491 -3.8491 -1.8840 -1.8840 -1.8763 -1.8763 -0.9979 -0.9979 -0.1149 -0.1149 0.5441 0.5441 1.4278 1.4278 1.5230 1.5230 1.5783 1.5783 1.5797 1.5797 1.6103 1.6103 2.1198 2.1198 2.1652 2.1652 2.6285 2.6285 8.0270 8.0270 12.4000 12.4000 13.5385 13.5385 14.1202 14.1202 k = 0.0000 0.0000 0.2503 ( 3448 PWs) bands (ev): -18.9504 -18.9504 -17.7672 -17.7672 -17.3165 -17.3165 -17.0617 -17.0617 -6.1678 -6.1678 -6.1313 -6.1313 -4.0482 -4.0482 -4.0000 -4.0000 -3.8492 -3.8492 -1.8834 -1.8834 -1.8759 -1.8759 -0.9971 -0.9971 -0.0983 -0.0983 0.5174 0.5174 1.4279 1.4279 1.5189 1.5189 1.5744 1.5744 1.5797 1.5797 1.6103 1.6103 2.1237 2.1237 2.1689 2.1689 2.6439 2.6439 8.0067 8.0067 12.4016 12.4016 13.5708 13.5708 14.1197 14.1197 k = 0.0000 0.0000 0.2617 ( 3448 PWs) bands (ev): -18.9503 -18.9503 -17.7672 -17.7672 -17.3176 -17.3176 -17.0607 -17.0607 -6.1678 -6.1678 -6.1313 -6.1313 -4.0482 -4.0482 -4.0001 -4.0001 -3.8492 -3.8492 -1.8831 -1.8831 -1.8755 -1.8755 -0.9966 -0.9966 -0.0854 -0.0854 0.4973 0.4973 1.4279 1.4279 1.5160 1.5160 1.5715 1.5715 1.5797 1.5797 1.6103 1.6103 2.1265 2.1265 2.1716 2.1716 2.6551 2.6551 7.9920 7.9920 12.4027 12.4027 13.5943 13.5943 14.1193 14.1193 k = 0.0000 0.0000 0.2731 ( 3444 PWs) bands (ev): -18.9502 -18.9502 -17.7672 -17.7672 -17.3183 -17.3183 -17.0601 -17.0601 -6.1678 -6.1678 -6.1313 -6.1313 -4.0482 -4.0482 -4.0002 -4.0002 -3.8492 -3.8492 -1.8828 -1.8828 -1.8753 -1.8753 -0.9963 -0.9963 -0.0771 -0.0771 0.4847 0.4847 1.4279 1.4279 1.5143 1.5143 1.5698 1.5698 1.5797 1.5797 1.6103 1.6103 2.1282 2.1282 2.1733 2.1733 2.6618 2.6618 7.9832 7.9832 12.4033 12.4033 13.6087 13.6087 14.1191 14.1191 k = 0.0000 0.0000 0.2845 ( 3444 PWs) bands (ev): -18.9502 -18.9502 -17.7672 -17.7672 -17.3185 -17.3185 -17.0599 -17.0599 -6.1678 -6.1678 -6.1313 -6.1313 -4.0483 -4.0483 -4.0003 -4.0003 -3.8493 -3.8493 -1.8828 -1.8828 -1.8753 -1.8753 -0.9962 -0.9962 -0.0743 -0.0743 0.4804 0.4804 1.4279 1.4279 1.5137 1.5137 1.5692 1.5692 1.5797 1.5797 1.6103 1.6103 2.1288 2.1288 2.1738 2.1738 2.6641 2.6641 7.9802 7.9802 12.4035 12.4035 13.6135 13.6135 14.1191 14.1191 k = 0.0000 0.0000 0.2845 ( 3444 PWs) bands (ev): -18.9502 -18.9502 -17.7672 -17.7672 -17.3185 -17.3185 -17.0599 -17.0599 -6.1678 -6.1678 -6.1313 -6.1313 -4.0483 -4.0483 -4.0003 -4.0003 -3.8493 -3.8493 -1.8828 -1.8828 -1.8753 -1.8753 -0.9962 -0.9962 -0.0743 -0.0743 0.4804 0.4804 1.4279 1.4279 1.5137 1.5137 1.5692 1.5692 1.5797 1.5797 1.6103 1.6103 2.1288 2.1288 2.1738 2.1738 2.6641 2.6641 7.9802 7.9802 12.4035 12.4035 13.6135 13.6135 14.1191 14.1191 k = 0.0000 0.0114 0.2845 ( 3444 PWs) bands (ev): -18.9498 -18.9498 -17.7675 -17.7675 -17.3185 -17.3185 -17.0600 -17.0600 -6.1677 -6.1677 -6.1313 -6.1313 -4.0482 -4.0482 -4.0001 -4.0001 -3.8493 -3.8493 -1.8828 -1.8828 -1.8753 -1.8753 -0.9955 -0.9955 -0.0754 -0.0754 0.4809 0.4809 1.4187 1.4187 1.5196 1.5196 1.5740 1.5740 1.5791 1.5791 1.6098 1.6098 2.1282 2.1282 2.1732 2.1732 2.6638 2.6638 7.9825 7.9825 12.3994 12.3994 13.6137 13.6137 14.1101 14.1101 k = 0.0000 0.0227 0.2845 ( 3444 PWs) bands (ev): -18.9486 -18.9486 -17.7683 -17.7683 -17.3183 -17.3183 -17.0602 -17.0602 -6.1676 -6.1676 -6.1312 -6.1312 -4.0479 -4.0479 -3.9998 -3.9998 -3.8496 -3.8496 -1.8833 -1.8833 -1.8750 -1.8750 -0.9937 -0.9937 -0.0788 -0.0788 0.4826 0.4826 1.3978 1.3978 1.5293 1.5293 1.5770 1.5770 1.5894 1.5894 1.6085 1.6085 2.1264 2.1264 2.1715 2.1715 2.6632 2.6632 7.9892 7.9892 12.3866 12.3866 13.6142 13.6142 14.0844 14.0844 k = 0.0000 0.0341 0.2845 ( 3436 PWs) bands (ev): -18.9465 -18.9465 -17.7697 -17.7697 -17.3181 -17.3181 -17.0606 -17.0606 -6.1672 -6.1672 -6.1310 -6.1310 -4.0474 -4.0474 -3.9993 -3.9993 -3.8501 -3.8501 -1.8846 -1.8846 -1.8740 -1.8740 -0.9905 -0.9905 -0.0845 -0.0845 0.4852 0.4852 1.3731 1.3731 1.5360 1.5360 1.5737 1.5737 1.6021 1.6021 1.6182 1.6182 2.1232 2.1232 2.1690 2.1690 2.6621 2.6621 8.0005 8.0005 12.3648 12.3648 13.6145 13.6145 14.0453 14.0453 k = 0.0000 0.0455 0.2845 ( 3432 PWs) bands (ev): -18.9437 -18.9437 -17.7717 -17.7717 -17.3178 -17.3178 -17.0611 -17.0611 -6.1668 -6.1668 -6.1307 -6.1307 -4.0467 -4.0467 -3.9985 -3.9985 -3.8507 -3.8507 -1.8871 -1.8871 -1.8719 -1.8719 -0.9862 -0.9862 -0.0924 -0.0924 0.4889 0.4889 1.3476 1.3476 1.5405 1.5405 1.5692 1.5692 1.5987 1.5987 1.6487 1.6487 2.1183 2.1183 2.1661 2.1661 2.6607 2.6607 8.0161 8.0161 12.3329 12.3329 13.6137 13.6137 13.9981 13.9981 k = 0.0000 0.0568 0.2845 ( 3426 PWs) bands (ev): -18.9401 -18.9401 -17.7742 -17.7742 -17.3173 -17.3173 -17.0617 -17.0617 -6.1663 -6.1663 -6.1303 -6.1303 -4.0459 -4.0459 -3.9975 -3.9975 -3.8514 -3.8514 -1.8906 -1.8906 -1.8688 -1.8688 -0.9806 -0.9806 -0.1024 -0.1024 0.4936 0.4936 1.3228 1.3228 1.5440 1.5440 1.5633 1.5633 1.5931 1.5931 1.6833 1.6833 2.1113 2.1113 2.1631 2.1631 2.6591 2.6591 8.0360 8.0360 12.2901 12.2901 13.6104 13.6104 13.9489 13.9489 k = 0.0000 0.0682 0.2845 ( 3434 PWs) bands (ev): -18.9357 -18.9357 -17.7772 -17.7772 -17.3168 -17.3168 -17.0625 -17.0625 -6.1657 -6.1657 -6.1299 -6.1299 -4.0450 -4.0450 -3.9963 -3.9963 -3.8524 -3.8524 -1.8951 -1.8951 -1.8648 -1.8648 -0.9738 -0.9738 -0.1144 -0.1144 0.4992 0.4992 1.2990 1.2990 1.5470 1.5470 1.5565 1.5565 1.5861 1.5861 1.7195 1.7195 2.1021 2.1021 2.1603 2.1603 2.6574 2.6574 8.0601 8.0601 12.2351 12.2351 13.6026 13.6026 13.9044 13.9044 k = 0.0000 0.0795 0.2845 ( 3440 PWs) bands (ev): -18.9306 -18.9306 -17.7809 -17.7809 -17.3162 -17.3162 -17.0634 -17.0634 -6.1651 -6.1651 -6.1294 -6.1294 -4.0439 -4.0439 -3.9948 -3.9948 -3.8535 -3.8535 -1.9004 -1.9004 -1.8601 -1.8601 -0.9658 -0.9658 -0.1282 -0.1282 0.5056 0.5056 1.2767 1.2767 1.5462 1.5462 1.5521 1.5521 1.5779 1.5779 1.7565 1.7565 2.0907 2.0907 2.1579 2.1579 2.6558 2.6558 8.0883 8.0883 12.1670 12.1670 13.5883 13.5883 13.8707 13.8707 k = 0.0000 0.0909 0.2845 ( 3448 PWs) bands (ev): -18.9246 -18.9246 -17.7851 -17.7851 -17.3156 -17.3156 -17.0644 -17.0644 -6.1644 -6.1644 -6.1288 -6.1288 -4.0428 -4.0428 -3.9931 -3.9931 -3.8548 -3.8548 -1.9064 -1.9064 -1.8546 -1.8546 -0.9566 -0.9566 -0.1439 -0.1439 0.5127 0.5127 1.2559 1.2559 1.5374 1.5374 1.5544 1.5544 1.5690 1.5690 1.7935 1.7935 2.0773 2.0773 2.1559 2.1559 2.6547 2.6547 8.1203 8.1203 12.0854 12.0854 13.5675 13.5675 13.8510 13.8510 k = 0.0000 0.1023 0.2845 ( 3446 PWs) bands (ev): -18.9179 -18.9179 -17.7898 -17.7898 -17.3148 -17.3148 -17.0655 -17.0655 -6.1636 -6.1636 -6.1281 -6.1281 -4.0415 -4.0415 -3.9911 -3.9911 -3.8562 -3.8562 -1.9129 -1.9129 -1.8484 -1.8484 -0.9462 -0.9462 -0.1611 -0.1611 0.5205 0.5205 1.2368 1.2368 1.5266 1.5266 1.5532 1.5532 1.5633 1.5633 1.8300 1.8300 2.0621 2.0621 2.1542 2.1542 2.6542 2.6542 8.1560 8.1560 11.9905 11.9905 13.5428 13.5428 13.8448 13.8448 k = 0.0000 0.1136 0.2845 ( 3438 PWs) bands (ev): -18.9105 -18.9105 -17.7951 -17.7951 -17.3140 -17.3140 -17.0667 -17.0667 -6.1628 -6.1628 -6.1273 -6.1273 -4.0402 -4.0402 -3.9888 -3.9888 -3.8577 -3.8577 -1.9201 -1.9201 -1.8415 -1.8415 -0.9347 -0.9347 -0.1798 -0.1798 0.5289 0.5289 1.2193 1.2193 1.5147 1.5147 1.5433 1.5433 1.5657 1.5657 1.8654 1.8654 2.0454 2.0454 2.1528 2.1528 2.6548 2.6548 8.1951 8.1951 11.8829 11.8829 13.5180 13.5180 13.8495 13.8495 k = 0.0000 0.1250 0.2845 ( 3438 PWs) bands (ev): -18.9023 -18.9023 -17.8010 -17.8010 -17.3131 -17.3131 -17.0681 -17.0681 -6.1620 -6.1620 -6.1263 -6.1263 -4.0389 -4.0389 -3.9863 -3.9863 -3.8593 -3.8593 -1.9277 -1.9277 -1.8339 -1.8339 -0.9221 -0.9221 -0.1997 -0.1997 0.5376 0.5376 1.2034 1.2034 1.5016 1.5016 1.5306 1.5306 1.5700 1.5700 1.8991 1.8991 2.0275 2.0275 2.1515 2.1515 2.6569 2.6569 8.2374 8.2374 11.7641 11.7641 13.4959 13.4959 13.8621 13.8621 k = 0.0000 0.1364 0.2845 ( 3446 PWs) bands (ev): -18.8934 -18.8934 -17.8075 -17.8075 -17.3121 -17.3121 -17.0695 -17.0695 -6.1612 -6.1612 -6.1253 -6.1253 -4.0375 -4.0375 -3.9836 -3.9836 -3.8611 -3.8611 -1.9358 -1.9358 -1.8257 -1.8257 -0.9085 -0.9085 -0.2207 -0.2207 0.5467 0.5467 1.1891 1.1891 1.4874 1.4874 1.5165 1.5165 1.5750 1.5750 1.9305 1.9305 2.0085 2.0085 2.1504 2.1504 2.6610 2.6610 8.2827 8.2827 11.6357 11.6357 13.4784 13.4784 13.8805 13.8805 k = 0.0000 0.1477 0.2845 ( 3442 PWs) bands (ev): -18.8837 -18.8837 -17.8145 -17.8145 -17.3110 -17.3110 -17.0710 -17.0710 -6.1603 -6.1603 -6.1242 -6.1242 -4.0362 -4.0362 -3.9806 -3.9806 -3.8629 -3.8629 -1.9442 -1.9442 -1.8169 -1.8169 -0.8938 -0.8938 -0.2426 -0.2426 0.5559 0.5559 1.1764 1.1764 1.4723 1.4723 1.5014 1.5014 1.5804 1.5804 1.9589 1.9589 1.9889 1.9889 2.1493 2.1493 2.6676 2.6676 8.3305 8.3305 11.4996 11.4996 13.4657 13.4657 13.9035 13.9035 k = 0.0000 0.1591 0.2845 ( 3446 PWs) bands (ev): -18.8734 -18.8734 -17.8222 -17.8222 -17.3099 -17.3099 -17.0725 -17.0725 -6.1596 -6.1596 -6.1230 -6.1230 -4.0349 -4.0349 -3.9773 -3.9773 -3.8648 -3.8648 -1.9528 -1.9528 -1.8076 -1.8076 -0.8781 -0.8781 -0.2652 -0.2652 0.5652 0.5652 1.1653 1.1653 1.4563 1.4563 1.4853 1.4853 1.5862 1.5862 1.9686 1.9686 1.9838 1.9838 2.1484 2.1484 2.6774 2.6774 8.3806 8.3806 11.3576 11.3576 13.4579 13.4579 13.9301 13.9301 k = 0.0000 0.1705 0.2845 ( 3438 PWs) bands (ev): -18.8624 -18.8624 -17.8304 -17.8304 -17.3088 -17.3088 -17.0741 -17.0741 -6.1588 -6.1588 -6.1217 -6.1217 -4.0337 -4.0337 -3.9739 -3.9739 -3.8667 -3.8667 -1.9616 -1.9616 -1.7977 -1.7977 -0.8615 -0.8615 -0.2883 -0.2883 0.5743 0.5743 1.1556 1.1556 1.4395 1.4395 1.4685 1.4685 1.5922 1.5922 1.9481 1.9481 2.0045 2.0045 2.1475 2.1475 2.6906 2.6906 8.4326 8.4326 11.2116 11.2116 13.4544 13.4544 13.9597 13.9597 k = 0.0000 0.1818 0.2845 ( 3438 PWs) bands (ev): -18.8507 -18.8507 -17.8391 -17.8391 -17.3076 -17.3076 -17.0757 -17.0757 -6.1581 -6.1581 -6.1203 -6.1203 -4.0325 -4.0325 -3.9702 -3.9702 -3.8686 -3.8686 -1.9705 -1.9705 -1.7873 -1.7873 -0.8441 -0.8441 -0.3118 -0.3118 0.5831 0.5831 1.1473 1.1473 1.4219 1.4219 1.4509 1.4509 1.5984 1.5984 1.9275 1.9275 2.0205 2.0205 2.1467 2.1467 2.7078 2.7078 8.4859 8.4859 11.0632 11.0632 13.4547 13.4547 13.9919 13.9919 k = 0.0000 0.1932 0.2845 ( 3438 PWs) bands (ev): -18.8384 -18.8384 -17.8485 -17.8485 -17.3063 -17.3063 -17.0773 -17.0773 -6.1574 -6.1574 -6.1188 -6.1188 -4.0314 -4.0314 -3.9664 -3.9664 -3.8705 -3.8705 -1.9795 -1.9795 -1.7764 -1.7764 -0.8260 -0.8260 -0.3353 -0.3353 0.5915 0.5915 1.1404 1.1404 1.4038 1.4038 1.4328 1.4328 1.6048 1.6048 1.9068 1.9068 2.0317 2.0317 2.1459 2.1459 2.7292 2.7292 8.5400 8.5400 10.9139 10.9139 13.4582 13.4582 14.0262 14.0262 k = 0.0000 0.2045 0.2845 ( 3434 PWs) bands (ev): -18.8254 -18.8254 -17.8584 -17.8584 -17.3051 -17.3051 -17.0790 -17.0790 -6.1568 -6.1568 -6.1172 -6.1172 -4.0304 -4.0304 -3.9624 -3.9624 -3.8725 -3.8725 -1.9884 -1.9884 -1.7651 -1.7651 -0.8072 -0.8072 -0.3588 -0.3588 0.5992 0.5992 1.1349 1.1349 1.3851 1.3851 1.4144 1.4144 1.6115 1.6115 1.8864 1.8864 2.0380 2.0380 2.1452 2.1452 2.7546 2.7546 8.5941 8.5941 10.7655 10.7655 13.4644 13.4644 14.0623 14.0623 k = 0.0000 0.2159 0.2845 ( 3434 PWs) bands (ev): -18.8119 -18.8119 -17.8689 -17.8689 -17.3038 -17.3038 -17.0807 -17.0807 -6.1562 -6.1562 -6.1156 -6.1156 -4.0294 -4.0294 -3.9584 -3.9584 -3.8744 -3.8744 -1.9973 -1.9973 -1.7534 -1.7534 -0.7879 -0.7879 -0.3819 -0.3819 0.6062 0.6062 1.1306 1.1306 1.3660 1.3660 1.3957 1.3957 1.6182 1.6182 1.8663 1.8663 2.0395 2.0395 2.1444 2.1444 2.7840 2.7840 8.6475 8.6475 10.6193 10.6193 13.4728 13.4728 14.0998 14.0998 k = 0.0000 0.2273 0.2845 ( 3434 PWs) bands (ev): -18.7977 -18.7977 -17.8799 -17.8799 -17.3024 -17.3024 -17.0824 -17.0824 -6.1557 -6.1557 -6.1139 -6.1139 -4.0286 -4.0286 -3.9543 -3.9543 -3.8762 -3.8762 -2.0060 -2.0060 -1.7415 -1.7415 -0.7684 -0.7684 -0.4045 -0.4045 0.6122 0.6122 1.1275 1.1275 1.3466 1.3466 1.3772 1.3772 1.6250 1.6250 1.8465 1.8465 2.0366 2.0366 2.1436 2.1436 2.8171 2.8171 8.6989 8.6989 10.4773 10.4773 13.4831 13.4831 14.1382 14.1382 k = 0.0000 0.2386 0.2845 ( 3434 PWs) bands (ev): -18.7831 -18.7831 -17.8915 -17.8915 -17.3011 -17.3011 -17.0840 -17.0840 -6.1552 -6.1552 -6.1123 -6.1123 -4.0278 -4.0278 -3.9501 -3.9501 -3.8779 -3.8779 -2.0145 -2.0145 -1.7292 -1.7292 -0.7488 -0.7488 -0.4262 -0.4262 0.6171 0.6171 1.1256 1.1256 1.3268 1.3268 1.3590 1.3590 1.6319 1.6319 1.8273 1.8273 2.0296 2.0296 2.1428 2.1428 2.8533 2.8533 8.7469 8.7469 10.3413 10.3413 13.4948 13.4948 14.1772 14.1772 k = 0.0000 0.2500 0.2845 ( 3428 PWs) bands (ev): -18.7679 -18.7679 -17.9036 -17.9036 -17.2998 -17.2998 -17.0857 -17.0857 -6.1548 -6.1548 -6.1106 -6.1106 -4.0271 -4.0271 -3.9460 -3.9460 -3.8795 -3.8795 -2.0228 -2.0228 -1.7167 -1.7167 -0.7295 -0.7295 -0.4467 -0.4467 0.6207 0.6207 1.1250 1.1250 1.3069 1.3069 1.3414 1.3414 1.6389 1.6389 1.8087 1.8087 2.0189 2.0189 2.1420 2.1420 2.8921 2.8921 8.7892 8.7892 10.2139 10.2139 13.5078 13.5078 14.2162 14.2162 k = 0.0000 0.2614 0.2845 ( 3432 PWs) bands (ev): -18.7522 -18.7522 -17.9163 -17.9163 -17.2984 -17.2984 -17.0873 -17.0873 -6.1544 -6.1544 -6.1089 -6.1089 -4.0265 -4.0265 -3.9420 -3.9420 -3.8809 -3.8809 -2.0309 -2.0309 -1.7041 -1.7041 -0.7110 -0.7110 -0.4654 -0.4654 0.6230 0.6230 1.1254 1.1254 1.2867 1.2867 1.3247 1.3247 1.6458 1.6458 1.7907 1.7907 2.0051 2.0051 2.1411 2.1411 2.9332 2.9332 8.8231 8.8231 10.0981 10.0981 13.5216 13.5216 14.2547 14.2547 k = 0.0000 0.2727 0.2845 ( 3436 PWs) bands (ev): -18.7360 -18.7360 -17.9295 -17.9295 -17.2971 -17.2971 -17.0889 -17.0889 -6.1541 -6.1541 -6.1072 -6.1072 -4.0260 -4.0260 -3.9382 -3.9382 -3.8821 -3.8821 -2.0386 -2.0386 -1.6914 -1.6914 -0.6940 -0.6940 -0.4816 -0.4816 0.6238 0.6238 1.1270 1.1270 1.2665 1.2665 1.3091 1.3091 1.6526 1.6526 1.7733 1.7733 1.9884 1.9884 2.1402 2.1402 2.9760 2.9760 8.8450 8.8450 9.9978 9.9978 13.5362 13.5362 14.2920 14.2920 k = 0.0000 0.2841 0.2845 ( 3432 PWs) bands (ev): -18.7194 -18.7194 -17.9431 -17.9431 -17.2958 -17.2958 -17.0904 -17.0904 -6.1538 -6.1538 -6.1055 -6.1055 -4.0256 -4.0256 -3.9345 -3.9345 -3.8831 -3.8831 -2.0460 -2.0460 -1.6786 -1.6786 -0.6797 -0.6797 -0.4944 -0.4944 0.6231 0.6231 1.1297 1.1297 1.2462 1.2462 1.2950 1.2950 1.6594 1.6594 1.7567 1.7567 1.9693 1.9693 2.1393 2.1393 3.0201 3.0201 8.8508 8.8508 9.9172 9.9172 13.5514 13.5514 14.3274 14.3274 k = 0.0000 0.2955 0.2845 ( 3438 PWs) bands (ev): -18.7024 -18.7024 -17.9573 -17.9573 -17.2945 -17.2945 -17.0919 -17.0919 -6.1536 -6.1536 -6.1039 -6.1039 -4.0254 -4.0254 -3.9312 -3.9312 -3.8837 -3.8837 -2.0530 -2.0530 -1.6659 -1.6659 -0.6692 -0.6692 -0.5024 -0.5024 0.6208 0.6208 1.1335 1.1335 1.2259 1.2259 1.2822 1.2822 1.6661 1.6661 1.7408 1.7408 1.9481 1.9481 2.1384 2.1384 3.0650 3.0650 8.8370 8.8370 9.8602 9.8602 13.5669 13.5669 14.3600 14.3600 k = 0.0000 0.3068 0.2845 ( 3442 PWs) bands (ev): -18.6851 -18.6851 -17.9718 -17.9718 -17.2932 -17.2932 -17.0934 -17.0934 -6.1534 -6.1534 -6.1023 -6.1023 -4.0252 -4.0252 -3.9282 -3.9282 -3.8840 -3.8840 -2.0596 -2.0596 -1.6533 -1.6533 -0.6640 -0.6640 -0.5042 -0.5042 0.6171 0.6171 1.1384 1.1384 1.2059 1.2059 1.2711 1.2711 1.6726 1.6726 1.7257 1.7257 1.9251 1.9251 2.1375 2.1375 3.1104 3.1104 8.8021 8.8021 9.8281 9.8281 13.5827 13.5827 14.3892 14.3892 k = 0.0000 0.3182 0.2845 ( 3454 PWs) bands (ev): -18.6674 -18.6674 -17.9868 -17.9868 -17.2919 -17.2919 -17.0948 -17.0948 -6.1533 -6.1533 -6.1009 -6.1009 -4.0250 -4.0250 -3.9256 -3.9256 -3.8840 -3.8840 -2.0658 -2.0658 -1.6408 -1.6408 -0.6644 -0.6644 -0.4998 -0.4998 0.6119 0.6119 1.1443 1.1443 1.1862 1.1862 1.2616 1.2616 1.6788 1.6788 1.7114 1.7114 1.9005 1.9005 2.1367 2.1367 3.1559 3.1559 8.7479 8.7479 9.8194 9.8194 13.5988 13.5988 14.4139 14.4139 k = 0.0000 0.3295 0.2845 ( 3452 PWs) bands (ev): -18.6495 -18.6495 -18.0022 -18.0022 -17.2907 -17.2907 -17.0961 -17.0961 -6.1531 -6.1531 -6.0994 -6.0994 -4.0250 -4.0250 -3.9235 -3.9235 -3.8834 -3.8834 -2.0716 -2.0716 -1.6286 -1.6286 -0.6695 -0.6695 -0.4899 -0.4899 0.6055 0.6055 1.1505 1.1505 1.1679 1.1679 1.2536 1.2536 1.6843 1.6843 1.6985 1.6985 1.8746 1.8746 2.1359 2.1359 3.2012 3.2012 8.6784 8.6784 9.8300 9.8300 13.6149 13.6149 14.4333 14.4333 k = 0.0000 0.3409 0.2845 ( 3452 PWs) bands (ev): -18.6314 -18.6314 -18.0179 -18.0179 -17.2896 -17.2896 -17.0973 -17.0973 -6.1530 -6.1530 -6.0980 -6.0980 -4.0250 -4.0250 -3.9218 -3.9218 -3.8825 -3.8825 -2.0770 -2.0770 -1.6166 -1.6166 -0.6779 -0.6779 -0.4763 -0.4763 0.5979 0.5979 1.1455 1.1455 1.1624 1.1624 1.2470 1.2470 1.6829 1.6829 1.6930 1.6930 1.8475 1.8475 2.1351 2.1351 3.2460 3.2460 8.5988 8.5988 9.8549 9.8549 13.6310 13.6310 14.4468 14.4468 k = 0.0000 0.3523 0.2845 ( 3452 PWs) bands (ev): -18.6130 -18.6130 -18.0339 -18.0339 -17.2885 -17.2885 -17.0985 -17.0985 -6.1528 -6.1528 -6.0967 -6.0967 -4.0250 -4.0250 -3.9205 -3.9205 -3.8812 -3.8812 -2.0819 -2.0819 -1.6051 -1.6051 -0.6880 -0.6880 -0.4604 -0.4604 0.5895 0.5895 1.1284 1.1284 1.1708 1.1708 1.2419 1.2419 1.6720 1.6720 1.6975 1.6975 1.8197 1.8197 2.1344 2.1344 3.2898 3.2898 8.5135 8.5135 9.8896 9.8896 13.6471 13.6471 14.4538 14.4538 k = 0.0000 0.3636 0.2845 ( 3452 PWs) bands (ev): -18.5946 -18.5946 -18.0501 -18.0501 -17.2874 -17.2874 -17.0995 -17.0995 -6.1527 -6.1527 -6.0955 -6.0955 -4.0252 -4.0252 -3.9197 -3.9197 -3.8796 -3.8796 -2.0865 -2.0865 -1.5941 -1.5941 -0.6990 -0.6990 -0.4434 -0.4434 0.5804 0.5804 1.1113 1.1113 1.1813 1.1813 1.2380 1.2380 1.6610 1.6610 1.7027 1.7027 1.7911 1.7911 2.1337 2.1337 3.3325 3.3325 8.4262 8.4262 9.9304 9.9304 13.6632 13.6632 14.4542 14.4542 k = 0.0000 0.3750 0.2845 ( 3454 PWs) bands (ev): -18.5762 -18.5762 -18.0664 -18.0664 -17.2864 -17.2864 -17.1006 -17.1006 -6.1527 -6.1527 -6.0943 -6.0943 -4.0253 -4.0253 -3.9191 -3.9191 -3.8778 -3.8778 -2.0906 -2.0906 -1.5835 -1.5835 -0.7100 -0.7100 -0.4261 -0.4261 0.5710 0.5710 1.0949 1.0949 1.1930 1.1930 1.2351 1.2351 1.6507 1.6507 1.7076 1.7076 1.7620 1.7620 2.1331 2.1331 3.3735 3.3735 8.3397 8.3397 9.9745 9.9745 13.6791 13.6791 14.4479 14.4479 k = 0.0000 0.3864 0.2845 ( 3450 PWs) bands (ev): -18.5579 -18.5579 -18.0829 -18.0829 -17.2855 -17.2855 -17.1015 -17.1015 -6.1526 -6.1526 -6.0933 -6.0933 -4.0255 -4.0255 -3.9188 -3.9188 -3.8760 -3.8760 -2.0943 -2.0943 -1.5736 -1.5736 -0.7207 -0.7207 -0.4090 -0.4090 0.5614 0.5614 1.0794 1.0794 1.2059 1.2059 1.2332 1.2332 1.6412 1.6412 1.7122 1.7122 1.7326 1.7326 2.1325 2.1325 3.4127 3.4127 8.2559 8.2559 10.0200 10.0200 13.6949 13.6949 14.4356 14.4356 k = 0.0000 0.3977 0.2845 ( 3450 PWs) bands (ev): -18.5398 -18.5398 -18.0993 -18.0993 -17.2847 -17.2847 -17.1023 -17.1023 -6.1526 -6.1526 -6.0923 -6.0923 -4.0257 -4.0257 -3.9186 -3.9186 -3.8740 -3.8740 -2.0976 -2.0976 -1.5644 -1.5644 -0.7309 -0.7309 -0.3926 -0.3926 0.5519 0.5519 1.0651 1.0651 1.2197 1.2197 1.2324 1.2324 1.6325 1.6325 1.7030 1.7030 1.7166 1.7166 2.1319 2.1319 3.4496 3.4496 8.1764 8.1764 10.0652 10.0652 13.7104 13.7104 14.4181 14.4181 k = 0.0000 0.4091 0.2845 ( 3454 PWs) bands (ev): -18.5220 -18.5220 -18.1155 -18.1155 -17.2839 -17.2839 -17.1031 -17.1031 -6.1525 -6.1525 -6.0915 -6.0915 -4.0260 -4.0260 -3.9186 -3.9186 -3.8722 -3.8722 -2.1005 -2.1005 -1.5560 -1.5560 -0.7402 -0.7402 -0.3772 -0.3772 0.5427 0.5427 1.0520 1.0520 1.2295 1.2295 1.2371 1.2371 1.6246 1.6246 1.6737 1.6737 1.7205 1.7205 2.1314 2.1314 3.4840 3.4840 8.1025 8.1025 10.1087 10.1087 13.7257 13.7257 14.3966 14.3966 k = 0.0000 0.4205 0.2845 ( 3454 PWs) bands (ev): -18.5048 -18.5048 -18.1314 -18.1314 -17.2832 -17.2832 -17.1037 -17.1037 -6.1525 -6.1525 -6.0907 -6.0907 -4.0262 -4.0262 -3.9187 -3.9187 -3.8705 -3.8705 -2.1030 -2.1030 -1.5484 -1.5484 -0.7487 -0.7487 -0.3631 -0.3631 0.5342 0.5342 1.0402 1.0402 1.2303 1.2303 1.2523 1.2523 1.6174 1.6174 1.6449 1.6449 1.7240 1.7240 2.1310 2.1310 3.5153 3.5153 8.0351 8.0351 10.1496 10.1496 13.7405 13.7405 14.3723 14.3723 k = 0.0000 0.4318 0.2845 ( 3456 PWs) bands (ev): -18.4883 -18.4883 -18.1466 -18.1466 -17.2826 -17.2826 -17.1043 -17.1043 -6.1525 -6.1525 -6.0900 -6.0900 -4.0264 -4.0264 -3.9187 -3.9187 -3.8689 -3.8689 -2.1052 -2.1052 -1.5416 -1.5416 -0.7561 -0.7561 -0.3504 -0.3504 0.5263 0.5263 1.0297 1.0297 1.2305 1.2305 1.2693 1.2693 1.6089 1.6089 1.6188 1.6188 1.7270 1.7270 2.1306 2.1306 3.5434 3.5434 7.9751 7.9751 10.1868 10.1868 13.7548 13.7548 14.3467 14.3467 k = 0.0000 0.4432 0.2845 ( 3452 PWs) bands (ev): -18.4730 -18.4730 -18.1610 -18.1610 -17.2821 -17.2821 -17.1048 -17.1048 -6.1524 -6.1524 -6.0895 -6.0895 -4.0266 -4.0266 -3.9188 -3.9188 -3.8675 -3.8675 -2.1070 -2.1070 -1.5358 -1.5358 -0.7625 -0.7625 -0.3394 -0.3394 0.5194 0.5194 1.0208 1.0208 1.2308 1.2308 1.2869 1.2869 1.5869 1.5869 1.6082 1.6082 1.7296 1.7296 2.1303 2.1303 3.5678 3.5678 7.9232 7.9232 10.2197 10.2197 13.7681 13.7681 14.3214 14.3214 k = 0.0000 0.4545 0.2845 ( 3440 PWs) bands (ev): -18.4591 -18.4591 -18.1740 -18.1740 -17.2817 -17.2817 -17.1052 -17.1052 -6.1524 -6.1524 -6.0890 -6.0890 -4.0268 -4.0268 -3.9189 -3.9189 -3.8662 -3.8662 -2.1084 -2.1084 -1.5310 -1.5310 -0.7678 -0.7678 -0.3302 -0.3302 0.5135 0.5135 1.0134 1.0134 1.2311 1.2311 1.3047 1.3047 1.5613 1.5613 1.6035 1.6035 1.7318 1.7318 2.1300 2.1300 3.5882 3.5882 7.8799 7.8799 10.2475 10.2475 13.7802 13.7802 14.2978 14.2978 k = 0.0000 0.4659 0.2845 ( 3440 PWs) bands (ev): -18.4473 -18.4473 -18.1851 -18.1851 -17.2813 -17.2813 -17.1055 -17.1055 -6.1524 -6.1524 -6.0886 -6.0886 -4.0269 -4.0269 -3.9190 -3.9190 -3.8653 -3.8653 -2.1096 -2.1096 -1.5272 -1.5272 -0.7719 -0.7719 -0.3229 -0.3229 0.5089 0.5089 1.0076 1.0076 1.2315 1.2315 1.3220 1.3220 1.5376 1.5376 1.6000 1.6000 1.7335 1.7335 2.1298 2.1298 3.6045 3.6045 7.8457 7.8457 10.2698 10.2698 13.7906 13.7906 14.2775 14.2775 k = 0.0000 0.4773 0.2845 ( 3452 PWs) bands (ev): -18.4381 -18.4381 -18.1938 -18.1938 -17.2811 -17.2811 -17.1057 -17.1057 -6.1524 -6.1524 -6.0884 -6.0884 -4.0270 -4.0270 -3.9191 -3.9191 -3.8647 -3.8647 -2.1104 -2.1104 -1.5244 -1.5244 -0.7749 -0.7749 -0.3176 -0.3176 0.5054 0.5054 1.0034 1.0034 1.2317 1.2317 1.3374 1.3374 1.5175 1.5175 1.5976 1.5976 1.7347 1.7347 2.1297 2.1297 3.6162 3.6162 7.8210 7.8210 10.2860 10.2860 13.7986 13.7986 14.2617 14.2617 k = 0.0000 0.4886 0.2845 ( 3442 PWs) bands (ev): -18.4323 -18.4323 -18.1994 -18.1994 -17.2810 -17.2810 -17.1059 -17.1059 -6.1524 -6.1524 -6.0882 -6.0882 -4.0271 -4.0271 -3.9191 -3.9191 -3.8642 -3.8642 -2.1109 -2.1109 -1.5228 -1.5228 -0.7767 -0.7767 -0.3144 -0.3144 0.5034 0.5034 1.0008 1.0008 1.2320 1.2320 1.3487 1.3487 1.5034 1.5034 1.5962 1.5962 1.7355 1.7355 2.1296 2.1296 3.6233 3.6233 7.8061 7.8061 10.2958 10.2958 13.8038 13.8038 14.2518 14.2518 k = 0.0000 0.5000 0.2845 ( 3440 PWs) bands (ev): -18.4302 -18.4302 -18.2013 -18.2013 -17.2809 -17.2809 -17.1059 -17.1059 -6.1524 -6.1524 -6.0882 -6.0882 -4.0271 -4.0271 -3.9191 -3.9191 -3.8641 -3.8641 -2.1110 -2.1110 -1.5222 -1.5222 -0.7773 -0.7773 -0.3134 -0.3134 0.5027 0.5027 1.0000 1.0000 1.2320 1.2320 1.3530 1.3530 1.4982 1.4982 1.5957 1.5957 1.7357 1.7357 2.1295 2.1295 3.6257 3.6257 7.8011 7.8011 10.2992 10.2992 13.8055 13.8055 14.2483 14.2483 k = 0.0000 0.5000 0.2845 ( 3440 PWs) bands (ev): -18.4302 -18.4302 -18.2013 -18.2013 -17.2809 -17.2809 -17.1059 -17.1059 -6.1524 -6.1524 -6.0882 -6.0882 -4.0271 -4.0271 -3.9191 -3.9191 -3.8641 -3.8641 -2.1110 -2.1110 -1.5222 -1.5222 -0.7773 -0.7773 -0.3134 -0.3134 0.5027 0.5027 1.0000 1.0000 1.2320 1.2320 1.3530 1.3530 1.4982 1.4982 1.5957 1.5957 1.7357 1.7357 2.1295 2.1295 3.6257 3.6257 7.8011 7.8011 10.2992 10.2992 13.8055 13.8055 14.2483 14.2483 k = 0.0114 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.4300 -18.4300 -18.2013 -18.2013 -17.2809 -17.2809 -17.1061 -17.1061 -6.1523 -6.1523 -6.0882 -6.0882 -4.0269 -4.0269 -3.9192 -3.9192 -3.8642 -3.8642 -2.1174 -2.1174 -1.5157 -1.5157 -0.7766 -0.7766 -0.3128 -0.3128 0.4987 0.4987 1.0031 1.0031 1.2320 1.2320 1.3466 1.3466 1.4985 1.4985 1.5970 1.5970 1.7414 1.7414 2.1290 2.1290 3.6252 3.6252 7.8019 7.8019 10.2994 10.2994 13.7939 13.7939 14.2498 14.2498 k = 0.0227 0.5000 0.2845 ( 3448 PWs) bands (ev): -18.4291 -18.4291 -18.2012 -18.2012 -17.2808 -17.2808 -17.1066 -17.1066 -6.1521 -6.1521 -6.0883 -6.0883 -4.0264 -4.0264 -3.9196 -3.9196 -3.8644 -3.8644 -2.1358 -2.1358 -1.4969 -1.4969 -0.7746 -0.7746 -0.3111 -0.3111 0.4870 0.4870 1.0120 1.0120 1.2320 1.2320 1.3285 1.3285 1.4995 1.4995 1.6007 1.6007 1.7572 1.7572 2.1274 2.1274 3.6238 3.6238 7.8042 7.8042 10.3000 10.3000 13.7593 13.7593 14.2543 14.2543 k = 0.0341 0.5000 0.2845 ( 3456 PWs) bands (ev): -18.4278 -18.4278 -18.2010 -18.2010 -17.2806 -17.2806 -17.1075 -17.1075 -6.1517 -6.1517 -6.0885 -6.0885 -4.0256 -4.0256 -3.9201 -3.9201 -3.8649 -3.8649 -2.1641 -2.1641 -1.4679 -1.4679 -0.7712 -0.7712 -0.3082 -0.3082 0.4685 0.4685 1.0258 1.0258 1.2319 1.2319 1.3012 1.3012 1.5012 1.5012 1.6070 1.6070 1.7808 1.7808 2.1248 2.1248 3.6215 3.6215 7.8081 7.8081 10.3009 10.3009 13.7030 13.7030 14.2618 14.2618 k = 0.0455 0.5000 0.2845 ( 3456 PWs) bands (ev): -18.4259 -18.4259 -18.2008 -18.2008 -17.2804 -17.2804 -17.1087 -17.1087 -6.1511 -6.1511 -6.0887 -6.0887 -4.0244 -4.0244 -3.9208 -3.9208 -3.8654 -3.8654 -2.2001 -2.2001 -1.4310 -1.4310 -0.7665 -0.7665 -0.3042 -0.3042 0.4443 0.4443 1.0435 1.0435 1.2312 1.2312 1.2679 1.2679 1.5036 1.5036 1.6158 1.6158 1.8095 1.8095 2.1211 2.1211 3.6182 3.6182 7.8135 7.8135 10.3023 10.3023 13.6270 13.6270 14.2723 14.2723 k = 0.0568 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.4234 -18.4234 -18.2005 -18.2005 -17.2801 -17.2801 -17.1102 -17.1102 -6.1504 -6.1504 -6.0890 -6.0890 -4.0229 -4.0229 -3.9216 -3.9216 -3.8661 -3.8661 -2.2415 -2.2415 -1.3883 -1.3883 -0.7605 -0.7605 -0.2991 -0.2991 0.4156 0.4156 1.0639 1.0639 1.2208 1.2208 1.2397 1.2397 1.5066 1.5066 1.6272 1.6272 1.8412 1.8412 2.1164 2.1164 3.6140 3.6140 7.8204 7.8204 10.3040 10.3040 13.5334 13.5334 14.2856 14.2856 k = 0.0682 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.4205 -18.4205 -18.2002 -18.2002 -17.2797 -17.2797 -17.1121 -17.1121 -6.1495 -6.1495 -6.0894 -6.0894 -4.0211 -4.0211 -3.9227 -3.9227 -3.8669 -3.8669 -2.2868 -2.2868 -1.3415 -1.3415 -0.7531 -0.7531 -0.2928 -0.2928 0.3835 0.3835 1.0859 1.0859 1.1829 1.1829 1.2359 1.2359 1.5104 1.5104 1.6410 1.6410 1.8745 1.8745 2.1107 2.1107 3.6088 3.6088 7.8288 7.8288 10.3060 10.3060 13.4247 13.4247 14.3019 14.3019 k = 0.0795 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.4169 -18.4169 -18.1998 -18.1998 -17.2793 -17.2793 -17.1143 -17.1143 -6.1485 -6.1485 -6.0898 -6.0898 -4.0190 -4.0190 -3.9240 -3.9240 -3.8678 -3.8678 -2.3346 -2.3346 -1.2919 -1.2919 -0.7445 -0.7445 -0.2856 -0.2856 0.3488 0.3488 1.1089 1.1089 1.1392 1.1392 1.2358 1.2358 1.5149 1.5149 1.6572 1.6572 1.9084 1.9084 2.1040 2.1040 3.6026 3.6026 7.8387 7.8387 10.3083 10.3083 13.3035 13.3035 14.3210 14.3210 k = 0.0909 0.5000 0.2845 ( 3440 PWs) bands (ev): -18.4129 -18.4129 -18.1993 -18.1993 -17.2789 -17.2789 -17.1168 -17.1168 -6.1473 -6.1473 -6.0903 -6.0903 -4.0166 -4.0166 -3.9254 -3.9254 -3.8687 -3.8687 -2.3842 -2.3842 -1.2403 -1.2403 -0.7346 -0.7346 -0.2773 -0.2773 0.3121 0.3121 1.0937 1.0937 1.1321 1.1321 1.2363 1.2363 1.5201 1.5201 1.6756 1.6756 1.9421 1.9421 2.0964 2.0964 3.5955 3.5955 7.8501 7.8501 10.3108 10.3108 13.1719 13.1719 14.3429 14.3429 k = 0.1023 0.5000 0.2845 ( 3436 PWs) bands (ev): -18.4084 -18.4084 -18.1988 -18.1988 -17.2783 -17.2783 -17.1197 -17.1197 -6.1461 -6.1461 -6.0908 -6.0908 -4.0140 -4.0140 -3.9270 -3.9270 -3.8698 -3.8698 -2.4348 -2.4348 -1.1874 -1.1874 -0.7234 -0.7234 -0.2681 -0.2681 0.2740 0.2740 1.0471 1.0471 1.1552 1.1552 1.2371 1.2371 1.5261 1.5261 1.6962 1.6962 1.9752 1.9752 2.0878 2.0878 3.5873 3.5873 7.8628 7.8628 10.3134 10.3134 13.0322 13.0322 14.3676 14.3676 k = 0.1136 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.4035 -18.4035 -18.1983 -18.1983 -17.2778 -17.2778 -17.1229 -17.1229 -6.1447 -6.1447 -6.0914 -6.0914 -4.0112 -4.0112 -3.9288 -3.9288 -3.8709 -3.8709 -2.4861 -2.4861 -1.1336 -1.1336 -0.7111 -0.7111 -0.2579 -0.2579 0.2350 0.2350 1.0000 1.0000 1.1779 1.1779 1.2380 1.2380 1.5328 1.5328 1.7187 1.7187 2.0073 2.0073 2.0783 2.0783 3.5782 3.5782 7.8770 7.8770 10.3161 10.3161 12.8863 12.8863 14.3949 14.3949 k = 0.1250 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.3980 -18.3980 -18.1977 -18.1977 -17.2772 -17.2772 -17.1264 -17.1264 -6.1433 -6.1433 -6.0920 -6.0920 -4.0081 -4.0081 -3.9308 -3.9308 -3.8720 -3.8720 -2.5375 -2.5375 -1.0793 -1.0793 -0.6975 -0.6975 -0.2469 -0.2469 0.1953 0.1953 0.9526 0.9526 1.2000 1.2000 1.2390 1.2390 1.5404 1.5404 1.7429 1.7429 2.0380 2.0380 2.0682 2.0682 3.5680 3.5680 7.8925 7.8925 10.3187 10.3187 12.7359 12.7359 14.4248 14.4248 k = 0.1364 0.5000 0.2845 ( 3448 PWs) bands (ev): -18.3922 -18.3922 -18.1970 -18.1970 -17.2765 -17.2765 -17.1301 -17.1301 -6.1418 -6.1418 -6.0927 -6.0927 -4.0050 -4.0050 -3.9328 -3.9328 -3.8730 -3.8730 -2.5889 -2.5889 -1.0249 -1.0249 -0.6829 -0.6829 -0.2351 -0.2351 0.1553 0.1553 0.9053 0.9053 1.2213 1.2213 1.2404 1.2404 1.5488 1.5488 1.7686 1.7686 2.0555 2.0555 2.0692 2.0692 3.5568 3.5568 7.9092 7.9092 10.3212 10.3212 12.5825 12.5825 14.4572 14.4572 k = 0.1477 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3859 -18.3859 -18.1963 -18.1963 -17.2758 -17.2758 -17.1342 -17.1342 -6.1402 -6.1402 -6.0935 -6.0935 -4.0017 -4.0017 -3.9349 -3.9349 -3.8741 -3.8741 -2.6401 -2.6401 -0.9706 -0.9706 -0.6672 -0.6672 -0.2226 -0.2226 0.1151 0.1151 0.8583 0.8583 1.2393 1.2393 1.2445 1.2445 1.5581 1.5581 1.7955 1.7955 2.0443 2.0443 2.0964 2.0964 3.5445 3.5445 7.9271 7.9271 10.3233 10.3233 12.4277 12.4277 14.4920 14.4920 k = 0.1591 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3792 -18.3792 -18.1956 -18.1956 -17.2750 -17.2750 -17.1386 -17.1386 -6.1386 -6.1386 -6.0942 -6.0942 -3.9985 -3.9985 -3.9369 -3.9369 -3.8751 -3.8751 -2.6907 -2.6907 -0.9164 -0.9164 -0.6504 -0.6504 -0.2095 -0.2095 0.0751 0.0751 0.8118 0.8118 1.2425 1.2425 1.2628 1.2628 1.5683 1.5683 1.8236 1.8236 2.0316 2.0316 2.1227 2.1227 3.5311 3.5311 7.9461 7.9461 10.3249 10.3249 12.2726 12.2726 14.5292 14.5292 k = 0.1705 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3721 -18.3721 -18.1948 -18.1948 -17.2742 -17.2742 -17.1432 -17.1432 -6.1369 -6.1369 -6.0950 -6.0950 -3.9954 -3.9954 -3.9388 -3.9388 -3.8760 -3.8760 -2.7407 -2.7407 -0.8627 -0.8627 -0.6327 -0.6327 -0.1959 -0.1959 0.0353 0.0353 0.7661 0.7661 1.2443 1.2443 1.2821 1.2821 1.5795 1.5795 1.8524 1.8524 2.0182 2.0182 2.1473 2.1473 3.5166 3.5166 7.9660 7.9660 10.3257 10.3257 12.1185 12.1185 14.5686 14.5686 k = 0.1818 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.3647 -18.3647 -18.1941 -18.1941 -17.2734 -17.2734 -17.1480 -17.1480 -6.1352 -6.1352 -6.0957 -6.0957 -3.9925 -3.9925 -3.9405 -3.9405 -3.8769 -3.8769 -2.7899 -2.7899 -0.8096 -0.8096 -0.6141 -0.6141 -0.1818 -0.1818 -0.0040 -0.0040 0.7212 0.7212 1.2462 1.2462 1.3007 1.3007 1.5916 1.5916 1.8817 1.8817 2.0040 2.0040 2.1702 2.1702 3.5010 3.5010 7.9868 7.9868 10.3253 10.3253 11.9666 11.9666 14.6101 14.6101 k = 0.1932 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.3569 -18.3569 -18.1932 -18.1932 -17.2726 -17.2726 -17.1531 -17.1531 -6.1335 -6.1335 -6.0965 -6.0965 -3.9901 -3.9901 -3.9417 -3.9417 -3.8776 -3.8776 -2.8383 -2.8383 -0.7572 -0.7572 -0.5947 -0.5947 -0.1676 -0.1676 -0.0428 -0.0428 0.6774 0.6774 1.2482 1.2482 1.3188 1.3188 1.6048 1.6048 1.9114 1.9114 1.9893 1.9893 2.1912 2.1912 3.4842 3.4842 8.0084 8.0084 10.3234 10.3234 11.8181 11.8181 14.6536 14.6536 k = 0.2045 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3489 -18.3489 -18.1924 -18.1924 -17.2717 -17.2717 -17.1584 -17.1584 -6.1318 -6.1318 -6.0973 -6.0973 -3.9883 -3.9883 -3.9424 -3.9424 -3.8782 -3.8782 -2.8857 -2.8857 -0.7055 -0.7055 -0.5745 -0.5745 -0.1533 -0.1533 -0.0807 -0.0807 0.6349 0.6349 1.2503 1.2503 1.3364 1.3364 1.6190 1.6190 1.9412 1.9412 1.9741 1.9741 2.2104 2.2104 3.4663 3.4663 8.0305 8.0305 10.3193 10.3193 11.6742 11.6742 14.6990 14.6990 k = 0.2159 0.5000 0.2845 ( 3448 PWs) bands (ev): -18.3406 -18.3406 -18.1915 -18.1915 -17.2708 -17.2708 -17.1639 -17.1639 -6.1302 -6.1302 -6.0981 -6.0981 -3.9873 -3.9873 -3.9422 -3.9422 -3.8786 -3.8786 -2.9320 -2.9320 -0.6549 -0.6549 -0.5537 -0.5537 -0.1405 -0.1405 -0.1164 -0.1164 0.5938 0.5938 1.2527 1.2527 1.3534 1.3534 1.6343 1.6343 1.9573 1.9573 1.9719 1.9719 2.2277 2.2277 3.4471 3.4471 8.0529 8.0529 10.3123 10.3123 11.5364 11.5364 14.7462 14.7462 k = 0.2273 0.5000 0.2845 ( 3456 PWs) bands (ev): -18.3321 -18.3321 -18.1907 -18.1907 -17.2699 -17.2699 -17.1696 -17.1696 -6.1286 -6.1286 -6.0989 -6.0989 -3.9873 -3.9873 -3.9413 -3.9413 -3.8789 -3.8789 -2.9771 -2.9771 -0.6053 -0.6053 -0.5322 -0.5322 -0.1571 -0.1571 -0.1221 -0.1221 0.5545 0.5545 1.2552 1.2552 1.3699 1.3699 1.6508 1.6508 1.9414 1.9414 2.0011 2.0011 2.2432 2.2432 3.4267 3.4267 8.0755 8.0755 10.3014 10.3014 11.4061 11.4061 14.7951 14.7951 k = 0.2386 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3234 -18.3234 -18.1898 -18.1898 -17.2690 -17.2690 -17.1755 -17.1755 -6.1271 -6.1271 -6.0996 -6.0996 -3.9881 -3.9881 -3.9396 -3.9396 -3.8789 -3.8789 -3.0210 -3.0210 -0.5569 -0.5569 -0.5102 -0.5102 -0.1918 -0.1918 -0.1092 -0.1092 0.5171 0.5171 1.2580 1.2580 1.3860 1.3860 1.6685 1.6685 1.9247 1.9247 2.0303 2.0303 2.2569 2.2569 3.4051 3.4051 8.0981 8.0981 10.2855 10.2855 11.2851 11.2851 14.8454 14.8454 k = 0.2500 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.3145 -18.3145 -18.1889 -18.1889 -17.2681 -17.2681 -17.1815 -17.1815 -6.1257 -6.1257 -6.1002 -6.1002 -3.9897 -3.9897 -3.9373 -3.9373 -3.8786 -3.8786 -3.0636 -3.0636 -0.5101 -0.5101 -0.4876 -0.4876 -0.2262 -0.2262 -0.0963 -0.0963 0.4818 0.4818 1.2610 1.2610 1.4016 1.4016 1.6874 1.6874 1.9075 1.9075 2.0590 2.0590 2.2689 2.2689 3.3822 3.3822 8.1204 8.1204 10.2631 10.2631 11.1752 11.1752 14.8971 14.8971 k = 0.2614 0.5000 0.2845 ( 3460 PWs) bands (ev): -18.3056 -18.3056 -18.1880 -18.1880 -17.2672 -17.2672 -17.1875 -17.1875 -6.1244 -6.1244 -6.1008 -6.1008 -3.9918 -3.9918 -3.9347 -3.9347 -3.8781 -3.8781 -3.1049 -3.1049 -0.4694 -0.4694 -0.4601 -0.4601 -0.2594 -0.2594 -0.0842 -0.0842 0.4491 0.4491 1.2642 1.2642 1.4167 1.4167 1.7075 1.7075 1.8900 1.8900 2.0871 2.0871 2.2792 2.2792 3.3580 3.3580 8.1421 8.1421 10.2328 10.2328 11.0785 11.0785 14.9501 14.9501 k = 0.2727 0.5000 0.2845 ( 3456 PWs) bands (ev): -18.2966 -18.2966 -18.1871 -18.1871 -17.2662 -17.2662 -17.1937 -17.1937 -6.1232 -6.1232 -6.1013 -6.1013 -3.9944 -3.9944 -3.9318 -3.9318 -3.8772 -3.8772 -3.1446 -3.1446 -0.4444 -0.4444 -0.4186 -0.4186 -0.2911 -0.2911 -0.0734 -0.0734 0.4192 0.4192 1.2677 1.2677 1.4313 1.4313 1.7290 1.7290 1.8723 1.8723 2.1145 2.1145 2.2878 2.2878 3.3324 3.3324 8.1629 8.1629 10.1937 10.1937 10.9964 10.9964 15.0041 15.0041 k = 0.2841 0.5000 0.2845 ( 3452 PWs) bands (ev): -18.2875 -18.2875 -18.1863 -18.1863 -17.2653 -17.2653 -17.1999 -17.1999 -6.1221 -6.1221 -6.1017 -6.1017 -3.9972 -3.9972 -3.9290 -3.9290 -3.8760 -3.8760 -3.1829 -3.1829 -0.4216 -0.4216 -0.3784 -0.3784 -0.3195 -0.3195 -0.0643 -0.0643 0.3925 0.3925 1.2714 1.2714 1.4455 1.4455 1.7519 1.7519 1.8543 1.8543 2.1411 2.1411 2.2950 2.2950 3.3056 3.3056 8.1825 8.1825 10.1455 10.1455 10.9295 10.9295 15.0590 15.0590 k = 0.2955 0.5000 0.2845 ( 3448 PWs) bands (ev): -18.2785 -18.2785 -18.1854 -18.1854 -17.2644 -17.2644 -17.2062 -17.2062 -6.1213 -6.1213 -6.1020 -6.1020 -4.0002 -4.0002 -3.9262 -3.9262 -3.8744 -3.8744 -3.2196 -3.2196 -0.3993 -0.3993 -0.3627 -0.3627 -0.3234 -0.3234 -0.0573 -0.0573 0.3693 0.3693 1.2755 1.2755 1.4592 1.4592 1.7760 1.7760 1.8362 1.8362 2.1666 2.1666 2.3007 2.3007 3.2775 3.2775 8.2006 8.2006 10.0892 10.0892 10.8773 10.8773 15.1146 15.1146 k = 0.3068 0.5000 0.2845 ( 3444 PWs) bands (ev): -18.2695 -18.2695 -18.1846 -18.1846 -17.2636 -17.2636 -17.2124 -17.2124 -6.1205 -6.1205 -6.1022 -6.1022 -4.0033 -4.0033 -3.9237 -3.9237 -3.8723 -3.8723 -3.2547 -3.2547 -0.3877 -0.3877 -0.3750 -0.3750 -0.2890 -0.2890 -0.0527 -0.0527 0.3499 0.3499 1.2797 1.2797 1.4723 1.4723 1.8016 1.8016 1.8181 1.8181 2.1912 2.1912 2.3052 2.3052 3.2480 3.2480 8.2168 8.2168 10.0269 10.0269 10.8381 10.8381 15.1707 15.1707 k = 0.3182 0.5000 0.2845 ( 3436 PWs) bands (ev): -18.2607 -18.2607 -18.1837 -18.1837 -17.2627 -17.2627 -17.2186 -17.2186 -6.1200 -6.1200 -6.1022 -6.1022 -4.0064 -4.0064 -3.9215 -3.9215 -3.8699 -3.8699 -3.2881 -3.2881 -0.4127 -0.4127 -0.3545 -0.3545 -0.2518 -0.2518 -0.0507 -0.0507 0.3346 0.3346 1.2843 1.2843 1.4850 1.4850 1.7998 1.7998 1.8286 1.8286 2.2146 2.2146 2.3085 2.3085 3.2173 3.2173 8.2309 8.2309 9.9612 9.9612 10.8097 10.8097 15.2272 15.2272 k = 0.3295 0.5000 0.2845 ( 3436 PWs) bands (ev): -18.2520 -18.2520 -18.1829 -18.1829 -17.2619 -17.2619 -17.2247 -17.2247 -6.1197 -6.1197 -6.1021 -6.1021 -4.0095 -4.0095 -3.9196 -3.9196 -3.8672 -3.8672 -3.3198 -3.3198 -0.4381 -0.4381 -0.3334 -0.3334 -0.2157 -0.2157 -0.0516 -0.0516 0.3233 0.3233 1.2892 1.2892 1.4970 1.4970 1.7816 1.7816 1.8569 1.8569 2.2367 2.2367 2.3107 2.3107 3.1853 3.1853 8.2425 8.2425 9.8947 9.8947 10.7897 10.7897 15.2837 15.2837 k = 0.3409 0.5000 0.2845 ( 3436 PWs) bands (ev): -18.2436 -18.2436 -18.1822 -18.1822 -17.2611 -17.2611 -17.2307 -17.2307 -6.1195 -6.1195 -6.1018 -6.1018 -4.0125 -4.0125 -3.9180 -3.9180 -3.8642 -3.8642 -3.3498 -3.3498 -0.4622 -0.4622 -0.3128 -0.3128 -0.1813 -0.1813 -0.0550 -0.0550 0.3160 0.3160 1.2944 1.2944 1.5085 1.5085 1.7635 1.7635 1.8865 1.8865 2.2575 2.2575 2.3122 2.3122 3.1522 3.1522 8.2514 8.2514 9.8298 9.8298 10.7762 10.7762 15.3400 15.3400 k = 0.3523 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.2354 -18.2354 -18.1814 -18.1814 -17.2603 -17.2603 -17.2364 -17.2364 -6.1194 -6.1194 -6.1015 -6.1015 -4.0154 -4.0154 -3.9166 -3.9166 -3.8610 -3.8610 -3.3779 -3.3779 -0.4850 -0.4850 -0.2930 -0.2930 -0.1489 -0.1489 -0.0607 -0.0607 0.3122 0.3122 1.2999 1.2999 1.5193 1.5193 1.7457 1.7457 1.9175 1.9175 2.2765 2.2765 2.3134 2.3134 3.1179 3.1179 8.2574 8.2574 9.7682 9.7682 10.7674 10.7674 15.3959 15.3959 k = 0.3636 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.2276 -18.2276 -18.1807 -18.1807 -17.2596 -17.2596 -17.2421 -17.2421 -6.1195 -6.1195 -6.1011 -6.1011 -4.0182 -4.0182 -3.9155 -3.9155 -3.8577 -3.8577 -3.4042 -3.4042 -0.5063 -0.5063 -0.2742 -0.2742 -0.1189 -0.1189 -0.0678 -0.0678 0.3114 0.3114 1.3056 1.3056 1.5295 1.5295 1.7281 1.7281 1.9496 1.9496 2.2925 2.2925 2.3154 2.3154 3.0826 3.0826 8.2605 8.2605 9.7113 9.7113 10.7621 10.7621 15.4510 15.4510 k = 0.3750 0.5000 0.2845 ( 3428 PWs) bands (ev): -18.2201 -18.2201 -18.1801 -18.1801 -17.2589 -17.2589 -17.2474 -17.2474 -6.1197 -6.1197 -6.1007 -6.1007 -4.0208 -4.0208 -3.9146 -3.9146 -3.8544 -3.8544 -3.4286 -3.4286 -0.5261 -0.5261 -0.2563 -0.2563 -0.0939 -0.0939 -0.0734 -0.0734 0.3130 0.3130 1.3116 1.3116 1.5389 1.5389 1.7109 1.7109 1.9827 1.9827 2.3018 2.3018 2.3222 2.3222 3.0464 3.0464 8.2606 8.2606 9.6599 9.6599 10.7593 10.7593 15.5049 15.5049 k = 0.3864 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.2131 -18.2131 -18.1795 -18.1795 -17.2583 -17.2583 -17.2525 -17.2525 -6.1199 -6.1199 -6.1003 -6.1003 -4.0232 -4.0232 -3.9138 -3.9138 -3.8511 -3.8511 -3.4510 -3.4510 -0.5442 -0.5442 -0.2397 -0.2397 -0.0912 -0.0912 -0.0596 -0.0596 0.3163 0.3163 1.3178 1.3178 1.5477 1.5477 1.6942 1.6942 2.0168 2.0168 2.3039 2.3039 2.3345 2.3345 3.0094 3.0094 8.2581 8.2581 9.6144 9.6144 10.7584 10.7584 15.5572 15.5572 k = 0.3977 0.5000 0.2845 ( 3432 PWs) bands (ev): -18.2065 -18.2065 -18.1789 -18.1789 -17.2578 -17.2578 -17.2572 -17.2572 -6.1201 -6.1201 -6.0998 -6.0998 -4.0254 -4.0254 -3.9132 -3.9132 -3.8480 -3.8480 -3.4715 -3.4715 -0.5608 -0.5608 -0.2243 -0.2243 -0.0999 -0.0999 -0.0369 -0.0369 0.3209 0.3209 1.3242 1.3242 1.5557 1.5557 1.6781 1.6781 2.0516 2.0516 2.3032 2.3032 2.3478 2.3478 2.9721 2.9721 8.2532 8.2532 9.5750 9.5750 10.7587 10.7587 15.6074 15.6074 k = 0.4091 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.2005 -18.2005 -18.1784 -18.1784 -17.2616 -17.2616 -17.2572 -17.2572 -6.1204 -6.1204 -6.0994 -6.0994 -4.0274 -4.0274 -3.9127 -3.9127 -3.8450 -3.8450 -3.4900 -3.4900 -0.5756 -0.5756 -0.2102 -0.2102 -0.1095 -0.1095 -0.0155 -0.0155 0.3261 0.3261 1.3307 1.3307 1.5629 1.5629 1.6628 1.6628 2.0868 2.0868 2.3018 2.3018 2.3603 2.3603 2.9345 2.9345 8.2464 8.2464 9.5416 9.5416 10.7599 10.7599 15.6551 15.6551 k = 0.4205 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.1951 -18.1951 -18.1779 -18.1779 -17.2656 -17.2656 -17.2567 -17.2567 -6.1206 -6.1206 -6.0990 -6.0990 -4.0292 -4.0292 -3.9122 -3.9122 -3.8423 -3.8423 -3.5064 -3.5064 -0.5888 -0.5888 -0.1977 -0.1977 -0.1187 -0.1187 0.0037 0.0037 0.3316 0.3316 1.3371 1.3371 1.5692 1.5692 1.6484 1.6484 2.1220 2.1220 2.3000 2.3000 2.3716 2.3716 2.8971 2.8971 8.2384 8.2384 9.5138 9.5138 10.7615 10.7615 15.6996 15.6996 k = 0.4318 0.5000 0.2845 ( 3420 PWs) bands (ev): -18.1903 -18.1903 -18.1775 -18.1775 -17.2691 -17.2691 -17.2563 -17.2563 -6.1209 -6.1209 -6.0986 -6.0986 -4.0307 -4.0307 -3.9118 -3.9118 -3.8398 -3.8398 -3.5207 -3.5207 -0.6003 -0.6003 -0.1868 -0.1868 -0.1272 -0.1272 0.0206 0.0206 0.3370 0.3370 1.3433 1.3433 1.5747 1.5747 1.6353 1.6353 2.1566 2.1566 2.2982 2.2982 2.3815 2.3815 2.8606 2.8606 8.2297 8.2297 9.4913 9.4913 10.7634 10.7634 15.7402 15.7402 k = 0.4432 0.5000 0.2845 ( 3424 PWs) bands (ev): -18.1862 -18.1862 -18.1772 -18.1772 -17.2722 -17.2722 -17.2560 -17.2560 -6.1211 -6.1211 -6.0983 -6.0983 -4.0321 -4.0321 -3.9115 -3.9115 -3.8377 -3.8377 -3.5329 -3.5329 -0.6100 -0.6100 -0.1776 -0.1776 -0.1345 -0.1345 0.0350 0.0350 0.3419 0.3419 1.3492 1.3492 1.5792 1.5792 1.6236 1.6236 2.1898 2.1898 2.2965 2.2965 2.3900 2.3900 2.8255 2.8255 8.2210 8.2210 9.4733 9.4733 10.7653 10.7653 15.7762 15.7762 k = 0.4545 0.5000 0.2845 ( 3428 PWs) bands (ev): -18.1827 -18.1827 -18.1769 -18.1769 -17.2747 -17.2747 -17.2557 -17.2557 -6.1213 -6.1213 -6.0981 -6.0981 -4.0332 -4.0332 -3.9113 -3.9113 -3.8359 -3.8359 -3.5429 -3.5429 -0.6180 -0.6180 -0.1703 -0.1703 -0.1404 -0.1404 0.0469 0.0469 0.3463 0.3463 1.3546 1.3546 1.5826 1.5826 1.6138 1.6138 2.2206 2.2206 2.2953 2.2953 2.3970 2.3970 2.7930 2.7930 8.2129 8.2129 9.4595 9.4595 10.7670 10.7670 15.8070 15.8070 k = 0.4659 0.5000 0.2845 ( 3420 PWs) bands (ev): -18.1801 -18.1801 -18.1766 -18.1766 -17.2767 -17.2767 -17.2555 -17.2555 -6.1214 -6.1214 -6.0978 -6.0978 -4.0340 -4.0340 -3.9110 -3.9110 -3.8345 -3.8345 -3.5507 -3.5507 -0.6242 -0.6242 -0.1651 -0.1651 -0.1445 -0.1445 0.0561 0.0561 0.3499 0.3499 1.3592 1.3592 1.5846 1.5846 1.6064 1.6064 2.2472 2.2472 2.2947 2.2947 2.4025 2.4025 2.7644 2.7644 8.2060 8.2060 9.4493 9.4493 10.7685 10.7685 15.8319 15.8319 k = 0.4773 0.5000 0.2845 ( 3420 PWs) bands (ev): -18.1783 -18.1783 -18.1763 -18.1763 -17.2781 -17.2781 -17.2553 -17.2553 -6.1215 -6.1215 -6.0977 -6.0977 -4.0346 -4.0346 -3.9109 -3.9109 -3.8335 -3.8335 -3.5563 -3.5563 -0.6286 -0.6286 -0.1624 -0.1624 -0.1466 -0.1466 0.0628 0.0628 0.3525 0.3525 1.3627 1.3627 1.5850 1.5850 1.6018 1.6018 2.2672 2.2672 2.2956 2.2956 2.4065 2.4065 2.7416 2.7416 8.2008 8.2008 9.4424 9.4424 10.7697 10.7697 15.8500 15.8500 k = 0.4886 0.5000 0.2845 ( 3412 PWs) bands (ev): -18.1773 -18.1773 -18.1760 -18.1760 -17.2790 -17.2790 -17.2552 -17.2552 -6.1216 -6.1216 -6.0976 -6.0976 -4.0349 -4.0349 -3.9108 -3.9108 -3.8328 -3.8328 -3.5597 -3.5597 -0.6313 -0.6313 -0.1615 -0.1615 -0.1471 -0.1471 0.0668 0.0668 0.3542 0.3542 1.3649 1.3649 1.5845 1.5845 1.5998 1.5998 2.2779 2.2779 2.2986 2.2986 2.4090 2.4090 2.7267 2.7267 8.1975 8.1975 9.4383 9.4383 10.7704 10.7704 15.8607 15.8607 k = 0.5000 0.5000 0.2845 ( 3408 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2793 -17.2793 -17.2552 -17.2552 -6.1216 -6.1216 -6.0975 -6.0975 -4.0351 -4.0351 -3.9108 -3.9108 -3.8326 -3.8326 -3.5608 -3.5608 -0.6322 -0.6322 -0.1614 -0.1614 -0.1471 -0.1471 0.0682 0.0682 0.3547 0.3547 1.3656 1.3656 1.5841 1.5841 1.5993 1.5993 2.2806 2.2806 2.3007 2.3007 2.4098 2.4098 2.7215 2.7215 8.1964 8.1964 9.4370 9.4370 10.7706 10.7706 15.8631 15.8632 k = 0.5000 0.5000 0.2845 ( 3408 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2793 -17.2793 -17.2552 -17.2552 -6.1216 -6.1216 -6.0975 -6.0975 -4.0351 -4.0351 -3.9108 -3.9108 -3.8326 -3.8326 -3.5608 -3.5608 -0.6322 -0.6322 -0.1614 -0.1614 -0.1471 -0.1471 0.0682 0.0682 0.3547 0.3547 1.3656 1.3656 1.5841 1.5841 1.5993 1.5993 2.2806 2.2806 2.3007 2.3007 2.4098 2.4098 2.7215 2.7215 8.1964 8.1964 9.4370 9.4370 10.7706 10.7706 15.8631 15.8631 k = 0.4918 0.4918 0.2845 ( 3410 PWs) bands (ev): -18.1774 -18.1774 -18.1758 -18.1758 -17.2790 -17.2790 -17.2552 -17.2552 -6.1216 -6.1216 -6.0976 -6.0976 -4.0349 -4.0349 -3.9108 -3.9108 -3.8328 -3.8328 -3.5596 -3.5596 -0.6313 -0.6313 -0.1615 -0.1615 -0.1471 -0.1471 0.0668 0.0668 0.3541 0.3541 1.3649 1.3649 1.5846 1.5846 1.5998 1.5998 2.2778 2.2778 2.2985 2.2985 2.4090 2.4090 2.7269 2.7269 8.1975 8.1975 9.4384 9.4384 10.7704 10.7704 15.8602 15.8602 k = 0.4836 0.4836 0.2845 ( 3416 PWs) bands (ev): -18.1793 -18.1793 -18.1753 -18.1753 -17.2781 -17.2781 -17.2553 -17.2553 -6.1215 -6.1215 -6.0977 -6.0977 -4.0346 -4.0346 -3.9109 -3.9109 -3.8335 -3.8335 -3.5561 -3.5561 -0.6285 -0.6285 -0.1622 -0.1622 -0.1468 -0.1468 0.0626 0.0626 0.3524 0.3524 1.3625 1.3625 1.5859 1.5859 1.6012 1.6012 2.2673 2.2673 2.2948 2.2948 2.4064 2.4064 2.7423 2.7423 8.2011 8.2011 9.4425 9.4425 10.7696 10.7696 15.8478 15.8478 k = 0.4754 0.4754 0.2845 ( 3420 PWs) bands (ev): -18.1827 -18.1827 -18.1741 -18.1741 -17.2766 -17.2766 -17.2555 -17.2555 -6.1214 -6.1214 -6.0979 -6.0979 -4.0339 -4.0339 -3.9111 -3.9111 -3.8346 -3.8346 -3.5503 -3.5503 -0.6239 -0.6239 -0.1645 -0.1645 -0.1451 -0.1451 0.0556 0.0556 0.3494 0.3494 1.3587 1.3587 1.5882 1.5882 1.6034 1.6034 2.2481 2.2481 2.2927 2.2927 2.4023 2.4023 2.7657 2.7657 8.2070 8.2070 9.4494 9.4494 10.7683 10.7683 15.8270 15.8270 k = 0.4672 0.4672 0.2845 ( 3428 PWs) bands (ev): -18.1875 -18.1875 -18.1723 -18.1723 -17.2745 -17.2745 -17.2557 -17.2557 -6.1213 -6.1213 -6.0981 -6.0981 -4.0331 -4.0331 -3.9113 -3.9113 -3.8361 -3.8361 -3.5422 -3.5422 -0.6174 -0.6174 -0.1687 -0.1687 -0.1416 -0.1416 0.0460 0.0460 0.3451 0.3451 1.3535 1.3535 1.5912 1.5912 1.6065 1.6065 2.2229 2.2229 2.2916 2.2916 2.3966 2.3966 2.7947 2.7947 8.2152 8.2152 9.4592 9.4592 10.7664 10.7664 15.7989 15.7989 k = 0.4590 0.4590 0.2845 ( 3440 PWs) bands (ev): -18.1937 -18.1937 -18.1701 -18.1701 -17.2719 -17.2719 -17.2560 -17.2560 -6.1211 -6.1211 -6.0984 -6.0984 -4.0319 -4.0319 -3.9115 -3.9115 -3.8380 -3.8380 -3.5319 -3.5319 -0.6091 -0.6091 -0.1748 -0.1748 -0.1363 -0.1363 0.0337 0.0337 0.3393 0.3393 1.3471 1.3471 1.5949 1.5949 1.6103 1.6103 2.1946 2.1946 2.2908 2.2908 2.3894 2.3894 2.8272 2.8272 8.2259 8.2259 9.4718 9.4718 10.7638 10.7638 15.7643 15.7643 k = 0.4508 0.4508 0.2845 ( 3442 PWs) bands (ev): -18.2011 -18.2011 -18.1673 -18.1673 -17.2688 -17.2688 -17.2564 -17.2564 -6.1208 -6.1208 -6.0988 -6.0988 -4.0305 -4.0305 -3.9119 -3.9119 -3.8403 -3.8403 -3.5193 -3.5193 -0.5989 -0.5989 -0.1823 -0.1823 -0.1295 -0.1295 0.0187 0.0187 0.3319 0.3319 1.3396 1.3396 1.5992 1.5992 1.6149 1.6149 2.1649 2.1649 2.2901 2.2901 2.3808 2.3808 2.8616 2.8616 8.2390 8.2390 9.4873 9.4873 10.7604 10.7604 15.7242 15.7242 k = 0.4426 0.4426 0.2845 ( 3430 PWs) bands (ev): -18.2097 -18.2097 -18.1640 -18.1640 -17.2651 -17.2651 -17.2568 -17.2568 -6.1205 -6.1205 -6.0991 -6.0991 -4.0289 -4.0289 -3.9122 -3.9122 -3.8429 -3.8429 -3.5046 -3.5046 -0.5869 -0.5869 -0.1911 -0.1911 -0.1212 -0.1212 0.0013 0.0013 0.3227 0.3227 1.3312 1.3312 1.6039 1.6039 1.6202 1.6202 2.1351 2.1351 2.2894 2.2894 2.3709 2.3709 2.8967 2.8967 8.2547 8.2547 9.5059 9.5059 10.7562 10.7562 15.6797 15.6797 k = 0.4344 0.4344 0.2845 ( 3430 PWs) bands (ev): -18.2195 -18.2195 -18.1602 -18.1602 -17.2611 -17.2611 -17.2573 -17.2573 -6.1202 -6.1202 -6.0996 -6.0996 -4.0269 -4.0269 -3.9126 -3.9126 -3.8459 -3.8459 -3.4878 -3.4878 -0.5730 -0.5730 -0.2009 -0.2009 -0.1117 -0.1117 -0.0186 -0.0186 0.3115 0.3115 1.3221 1.3221 1.6089 1.6089 1.6262 1.6262 2.1063 2.1063 2.2886 2.2886 2.3597 2.3597 2.9315 2.9315 8.2728 8.2728 9.5276 9.5276 10.7509 10.7509 15.6316 15.6316 k = 0.4262 0.4262 0.2845 ( 3430 PWs) bands (ev): -18.2305 -18.2305 -18.1560 -18.1560 -17.2579 -17.2579 -17.2566 -17.2566 -6.1199 -6.1199 -6.1001 -6.1001 -4.0248 -4.0248 -3.9130 -3.9130 -3.8492 -3.8492 -3.4691 -3.4691 -0.5574 -0.5574 -0.2115 -0.2115 -0.1012 -0.1012 -0.0407 -0.0407 0.2982 0.2982 1.3124 1.3124 1.6140 1.6140 1.6329 1.6329 2.0791 2.0791 2.2875 2.2875 2.3475 2.3475 2.9653 2.9653 8.2935 8.2935 9.5524 9.5524 10.7446 10.7446 15.5809 15.5809 k = 0.4180 0.4180 0.2845 ( 3430 PWs) bands (ev): -18.2424 -18.2424 -18.1513 -18.1513 -17.2586 -17.2586 -17.2518 -17.2518 -6.1196 -6.1196 -6.1006 -6.1006 -4.0224 -4.0224 -3.9135 -3.9135 -3.8529 -3.8529 -3.4483 -3.4483 -0.5399 -0.5399 -0.2229 -0.2229 -0.0908 -0.0908 -0.0638 -0.0638 0.2827 0.2827 1.3022 1.3022 1.6191 1.6191 1.6403 1.6403 2.0540 2.0540 2.2862 2.2862 2.3342 2.3342 2.9975 2.9975 8.3168 8.3168 9.5805 9.5805 10.7370 10.7370 15.5282 15.5282 k = 0.4098 0.4098 0.2845 ( 3420 PWs) bands (ev): -18.2554 -18.2554 -18.1461 -18.1461 -17.2593 -17.2593 -17.2467 -17.2467 -6.1192 -6.1192 -6.1012 -6.1012 -4.0197 -4.0197 -3.9139 -3.9139 -3.8568 -3.8568 -3.4257 -3.4257 -0.5207 -0.5207 -0.2347 -0.2347 -0.0974 -0.0974 -0.0707 -0.0707 0.2649 0.2649 1.2916 1.2916 1.6241 1.6241 1.6484 1.6484 2.0313 2.0313 2.2842 2.2842 2.3203 2.3203 3.0277 3.0277 8.3428 8.3428 9.6119 9.6119 10.7280 10.7280 15.4743 15.4743 k = 0.4016 0.4016 0.2845 ( 3424 PWs) bands (ev): -18.2692 -18.2692 -18.1406 -18.1406 -17.2600 -17.2600 -17.2413 -17.2413 -6.1189 -6.1189 -6.1019 -6.1019 -4.0168 -4.0168 -3.9144 -3.9144 -3.8610 -3.8610 -3.4013 -3.4013 -0.4997 -0.4997 -0.2469 -0.2469 -0.1246 -0.1246 -0.0581 -0.0581 0.2447 0.2447 1.2807 1.2807 1.6290 1.6290 1.6572 1.6572 2.0113 2.0113 2.2810 2.2810 2.3066 2.3066 3.0553 3.0553 8.3713 8.3713 9.6468 9.6468 10.7175 10.7175 15.4197 15.4197 k = 0.3934 0.3934 0.2845 ( 3418 PWs) bands (ev): -18.2839 -18.2839 -18.1345 -18.1345 -17.2609 -17.2609 -17.2357 -17.2357 -6.1186 -6.1186 -6.1025 -6.1025 -4.0137 -4.0137 -3.9149 -3.9149 -3.8654 -3.8654 -3.3752 -3.3752 -0.4770 -0.4770 -0.2593 -0.2593 -0.1556 -0.1556 -0.0426 -0.0426 0.2221 0.2221 1.2696 1.2696 1.6338 1.6338 1.6664 1.6664 1.9942 1.9942 2.2746 2.2746 2.2950 2.2950 3.0802 3.0802 8.4025 8.4025 9.6852 9.6852 10.7053 10.7053 15.3649 15.3649 k = 0.3852 0.3852 0.2845 ( 3430 PWs) bands (ev): -18.2994 -18.2994 -18.1281 -18.1281 -17.2618 -17.2618 -17.2299 -17.2299 -6.1183 -6.1183 -6.1033 -6.1033 -4.0104 -4.0104 -3.9155 -3.9155 -3.8701 -3.8701 -3.3475 -3.3475 -0.4526 -0.4526 -0.2718 -0.2718 -0.1887 -0.1887 -0.0257 -0.0257 0.1973 0.1973 1.2584 1.2584 1.6384 1.6384 1.6761 1.6761 1.9800 1.9800 2.2626 2.2626 2.2880 2.2880 3.1021 3.1021 8.4363 8.4363 9.7272 9.7272 10.6915 10.6915 15.3104 15.3104 k = 0.3770 0.3770 0.2845 ( 3430 PWs) bands (ev): -18.3155 -18.3155 -18.1212 -18.1212 -17.2627 -17.2627 -17.2240 -17.2240 -6.1181 -6.1181 -6.1040 -6.1040 -4.0070 -4.0070 -3.9160 -3.9160 -3.8750 -3.8750 -3.3182 -3.3182 -0.4267 -0.4267 -0.2842 -0.2842 -0.2237 -0.2237 -0.0075 -0.0075 0.1702 0.1702 1.2472 1.2472 1.6429 1.6429 1.6861 1.6861 1.9687 1.9687 2.2468 2.2468 2.2838 2.2838 3.1207 3.1207 8.4726 8.4726 9.7728 9.7728 10.6759 10.6759 15.2562 15.2562 k = 0.3689 0.3689 0.2845 ( 3434 PWs) bands (ev): -18.3324 -18.3324 -18.1140 -18.1140 -17.2638 -17.2638 -17.2179 -17.2179 -6.1179 -6.1179 -6.1048 -6.1048 -4.0033 -4.0033 -3.9166 -3.9166 -3.8800 -3.8800 -3.2875 -3.2875 -0.3994 -0.3994 -0.2966 -0.2966 -0.2601 -0.2601 0.0118 0.0118 0.1410 0.1410 1.2360 1.2360 1.6474 1.6474 1.6965 1.6965 1.9603 1.9603 2.2295 2.2295 2.2805 2.2805 3.1359 3.1359 8.5113 8.5113 9.8222 9.8222 10.6586 10.6586 15.2028 15.2028 k = 0.3607 0.3607 0.2845 ( 3426 PWs) bands (ev): -18.3497 -18.3497 -18.1064 -18.1064 -17.2648 -17.2648 -17.2118 -17.2118 -6.1178 -6.1178 -6.1055 -6.1055 -3.9995 -3.9995 -3.9172 -3.9172 -3.8852 -3.8852 -3.2554 -3.2554 -0.3718 -0.3718 -0.3093 -0.3093 -0.2961 -0.2961 0.0321 0.0321 0.1100 0.1100 1.2249 1.2249 1.6518 1.6518 1.7070 1.7070 1.9545 1.9545 2.2114 2.2114 2.2772 2.2772 3.1475 3.1475 8.5523 8.5523 9.8753 9.8753 10.6395 10.6395 15.1503 15.1503 k = 0.3525 0.3525 0.2845 ( 3434 PWs) bands (ev): -18.3676 -18.3676 -18.0984 -18.0984 -17.2660 -17.2660 -17.2056 -17.2056 -6.1178 -6.1178 -6.1062 -6.1062 -3.9956 -3.9956 -3.9178 -3.9178 -3.8906 -3.8906 -3.2220 -3.2220 -0.3571 -0.3571 -0.3228 -0.3228 -0.3182 -0.3182 0.0530 0.0530 0.0777 0.0777 1.2138 1.2138 1.6562 1.6562 1.7176 1.7176 1.9513 1.9513 2.1929 2.1929 2.2737 2.2737 3.1555 3.1555 8.5953 8.5953 9.9322 9.9322 10.6188 10.6188 15.0987 15.0987 k = 0.3443 0.3443 0.2845 ( 3438 PWs) bands (ev): -18.3859 -18.3859 -18.0901 -18.0901 -17.2672 -17.2672 -17.1994 -17.1994 -6.1179 -6.1179 -6.1069 -6.1069 -3.9916 -3.9916 -3.9184 -3.9184 -3.8960 -3.8960 -3.1874 -3.1874 -0.3881 -0.3881 -0.3302 -0.3302 -0.3000 -0.3000 0.0420 0.0420 0.0769 0.0769 1.2029 1.2029 1.6608 1.6608 1.7283 1.7283 1.9505 1.9505 2.1742 2.1742 2.2699 2.2699 3.1599 3.1599 8.6401 8.6401 9.9930 9.9930 10.5967 10.5967 15.0481 15.0481 k = 0.3361 0.3361 0.2845 ( 3438 PWs) bands (ev): -18.4046 -18.4046 -18.0815 -18.0815 -17.2684 -17.2684 -17.1933 -17.1933 -6.1182 -6.1182 -6.1075 -6.1075 -3.9875 -3.9875 -3.9189 -3.9189 -3.9016 -3.9016 -3.1518 -3.1518 -0.4297 -0.4297 -0.3408 -0.3408 -0.2673 -0.2673 0.0066 0.0066 0.1000 0.1000 1.1922 1.1922 1.6654 1.6654 1.7389 1.7389 1.9519 1.9519 2.1555 2.1555 2.2657 2.2657 3.1605 3.1605 8.6864 8.6864 10.0575 10.0575 10.5734 10.5734 14.9984 14.9984 k = 0.3279 0.3279 0.2845 ( 3434 PWs) bands (ev): -18.4236 -18.4236 -18.0726 -18.0726 -17.2697 -17.2697 -17.1871 -17.1871 -6.1186 -6.1186 -6.1081 -6.1081 -3.9835 -3.9835 -3.9195 -3.9195 -3.9071 -3.9071 -3.1151 -3.1151 -0.4737 -0.4737 -0.3506 -0.3506 -0.2321 -0.2321 -0.0300 -0.0300 0.1244 0.1244 1.1817 1.1817 1.6703 1.6703 1.7493 1.7493 1.9552 1.9552 2.1370 2.1370 2.2610 2.2610 3.1576 3.1576 8.7336 8.7336 10.1259 10.1259 10.5493 10.5493 14.9496 14.9496 k = 0.3197 0.3197 0.2845 ( 3434 PWs) bands (ev): -18.4428 -18.4428 -18.0635 -18.0635 -17.2710 -17.2710 -17.1811 -17.1811 -6.1192 -6.1192 -6.1086 -6.1086 -3.9794 -3.9794 -3.9200 -3.9200 -3.9127 -3.9127 -3.0776 -3.0776 -0.5191 -0.5191 -0.3597 -0.3597 -0.1953 -0.1953 -0.0676 -0.0676 0.1498 0.1498 1.1713 1.1713 1.6754 1.6754 1.7594 1.7594 1.9601 1.9601 2.1189 2.1189 2.2558 2.2558 3.1511 3.1511 8.7812 8.7812 10.1982 10.1982 10.5250 10.5250 14.9016 14.9016 k = 0.3115 0.3115 0.2845 ( 3430 PWs) bands (ev): -18.4623 -18.4623 -18.0540 -18.0540 -17.2724 -17.2724 -17.1751 -17.1751 -6.1200 -6.1200 -6.1090 -6.1090 -3.9754 -3.9754 -3.9205 -3.9205 -3.9183 -3.9183 -3.0392 -3.0392 -0.5656 -0.5656 -0.3679 -0.3679 -0.1573 -0.1573 -0.1055 -0.1055 0.1760 0.1760 1.1612 1.1612 1.6809 1.6809 1.7691 1.7691 1.9666 1.9666 2.1013 2.1013 2.2501 2.2501 3.1412 3.1412 8.8286 8.8286 10.2741 10.2741 10.5011 10.5011 14.8543 14.8543 k = 0.3033 0.3033 0.2845 ( 3440 PWs) bands (ev): -18.4819 -18.4819 -18.0444 -18.0444 -17.2738 -17.2738 -17.1692 -17.1692 -6.1210 -6.1210 -6.1093 -6.1093 -3.9716 -3.9716 -3.9240 -3.9240 -3.9209 -3.9209 -3.0002 -3.0002 -0.6131 -0.6131 -0.3752 -0.3752 -0.1459 -0.1459 -0.1161 -0.1161 0.2032 0.2032 1.1514 1.1514 1.6867 1.6867 1.7782 1.7782 1.9742 1.9742 2.0845 2.0845 2.2439 2.2439 3.1280 3.1280 8.8749 8.8749 10.3538 10.3538 10.4785 10.4785 14.8075 14.8075 k = 0.2951 0.2951 0.2845 ( 3444 PWs) bands (ev): -18.5015 -18.5015 -18.0346 -18.0346 -17.2753 -17.2753 -17.1634 -17.1634 -6.1220 -6.1220 -6.1097 -6.1097 -3.9680 -3.9680 -3.9295 -3.9295 -3.9211 -3.9211 -2.9605 -2.9605 -0.6613 -0.6613 -0.3816 -0.3816 -0.1842 -0.1842 -0.0761 -0.0761 0.2311 0.2311 1.1418 1.1418 1.6930 1.6930 1.7864 1.7864 1.9828 1.9828 2.0687 2.0687 2.2370 2.2370 3.1117 3.1117 8.9191 8.9191 10.4361 10.4361 10.4590 10.4590 14.7610 14.7610 k = 0.2869 0.2869 0.2845 ( 3450 PWs) bands (ev): -18.5213 -18.5213 -18.0245 -18.0245 -17.2768 -17.2768 -17.1577 -17.1577 -6.1232 -6.1232 -6.1101 -6.1101 -3.9648 -3.9648 -3.9349 -3.9349 -3.9212 -3.9212 -2.9203 -2.9203 -0.7102 -0.7102 -0.3871 -0.3871 -0.2231 -0.2231 -0.0345 -0.0345 0.2598 0.2598 1.1326 1.1326 1.6998 1.6998 1.7936 1.7936 1.9920 1.9920 2.0542 2.0542 2.2295 2.2295 3.0925 3.0925 8.9601 8.9601 10.4401 10.4401 10.5249 10.5249 14.7148 14.7148 k = 0.2787 0.2787 0.2845 ( 3450 PWs) bands (ev): -18.5410 -18.5410 -18.0144 -18.0144 -17.2784 -17.2784 -17.1521 -17.1521 -6.1245 -6.1245 -6.1104 -6.1104 -3.9621 -3.9621 -3.9401 -3.9401 -3.9210 -3.9210 -2.8796 -2.8796 -0.7595 -0.7595 -0.3914 -0.3914 -0.2621 -0.2621 0.0081 0.0081 0.2894 0.2894 1.1237 1.1237 1.7072 1.7072 1.7995 1.7995 2.0017 2.0017 2.0413 2.0413 2.2214 2.2214 3.0706 3.0706 8.9966 8.9966 10.4278 10.4278 10.6153 10.6153 14.6688 14.6688 k = 0.2705 0.2705 0.2845 ( 3442 PWs) bands (ev): -18.5606 -18.5606 -18.0041 -18.0041 -17.2799 -17.2799 -17.1467 -17.1467 -6.1258 -6.1258 -6.1107 -6.1107 -3.9602 -3.9602 -3.9448 -3.9448 -3.9204 -3.9204 -2.8386 -2.8386 -0.8092 -0.8092 -0.3947 -0.3947 -0.3007 -0.3007 0.0514 0.0514 0.3196 0.3196 1.1153 1.1153 1.7153 1.7153 1.8037 1.8037 2.0114 2.0114 2.0305 2.0305 2.2126 2.2126 3.0464 3.0464 9.0272 9.0272 10.4215 10.4215 10.7093 10.7093 14.6227 14.6227 k = 0.2623 0.2623 0.2845 ( 3442 PWs) bands (ev): -18.5802 -18.5802 -17.9937 -17.9937 -17.2815 -17.2815 -17.1414 -17.1414 -6.1272 -6.1272 -6.1111 -6.1111 -3.9599 -3.9599 -3.9486 -3.9486 -3.9193 -3.9193 -2.7973 -2.7973 -0.8591 -0.8591 -0.3969 -0.3969 -0.3390 -0.3390 0.0950 0.0950 0.3505 0.3505 1.1073 1.1073 1.7240 1.7240 1.8061 1.8061 2.0181 2.0181 2.0249 2.0249 2.2031 2.2031 3.0200 3.0200 9.0506 9.0506 10.4226 10.4226 10.8066 10.8066 14.5765 14.5765 k = 0.2541 0.2541 0.2845 ( 3438 PWs) bands (ev): -18.5996 -18.5996 -17.9832 -17.9832 -17.2831 -17.2831 -17.1363 -17.1363 -6.1287 -6.1287 -6.1115 -6.1115 -3.9618 -3.9618 -3.9506 -3.9506 -3.9178 -3.9178 -2.7559 -2.7559 -0.9090 -0.9090 -0.3983 -0.3983 -0.3764 -0.3764 0.1390 0.1390 0.3820 0.3820 1.1001 1.1001 1.7335 1.7335 1.8063 1.8063 2.0140 2.0140 2.0322 2.0322 2.1929 2.1929 2.9919 2.9919 9.0657 9.0657 10.4324 10.4324 10.9072 10.9072 14.5303 14.5303 k = 0.2459 0.2459 0.2845 ( 3438 PWs) bands (ev): -18.6188 -18.6188 -17.9727 -17.9727 -17.2848 -17.2848 -17.1314 -17.1314 -6.1303 -6.1303 -6.1120 -6.1120 -3.9655 -3.9655 -3.9514 -3.9514 -3.9157 -3.9157 -2.7144 -2.7144 -0.9590 -0.9590 -0.4150 -0.4150 -0.3966 -0.3966 0.1828 0.1828 0.4142 0.4142 1.0936 1.0936 1.7436 1.7436 1.8043 1.8043 2.0105 2.0105 2.0409 2.0409 2.1819 2.1819 2.9624 2.9624 9.0716 9.0716 10.4518 10.4518 11.0108 11.0108 14.4838 14.4838 k = 0.2377 0.2377 0.2845 ( 3446 PWs) bands (ev): -18.6377 -18.6377 -17.9621 -17.9621 -17.2864 -17.2864 -17.1266 -17.1266 -6.1319 -6.1319 -6.1125 -6.1125 -3.9700 -3.9700 -3.9519 -3.9519 -3.9133 -3.9133 -2.6728 -2.6728 -1.0087 -1.0087 -0.4510 -0.4510 -0.3958 -0.3958 0.2262 0.2262 0.4470 0.4470 1.0881 1.0881 1.7543 1.7543 1.8004 1.8004 2.0092 2.0092 2.0489 2.0489 2.1703 2.1703 2.9319 2.9319 9.0680 9.0680 10.4813 10.4813 11.1173 11.1173 14.4372 14.4372 k = 0.2295 0.2295 0.2845 ( 3438 PWs) bands (ev): -18.6564 -18.6564 -17.9516 -17.9516 -17.2881 -17.2881 -17.1219 -17.1219 -6.1335 -6.1335 -6.1131 -6.1131 -3.9747 -3.9747 -3.9526 -3.9526 -3.9105 -3.9105 -2.6314 -2.6314 -1.0580 -1.0580 -0.4865 -0.4865 -0.3933 -0.3933 0.2689 0.2689 0.4803 0.4803 1.0839 1.0839 1.7652 1.7652 1.7951 1.7951 2.0102 2.0102 2.0556 2.0556 2.1579 2.1579 2.9008 2.9008 9.0551 9.0551 10.5208 10.5208 11.2266 11.2266 14.3905 14.3905 k = 0.2213 0.2213 0.2845 ( 3430 PWs) bands (ev): -18.6748 -18.6748 -17.9411 -17.9411 -17.2897 -17.2897 -17.1175 -17.1175 -6.1352 -6.1352 -6.1137 -6.1137 -3.9794 -3.9794 -3.9536 -3.9536 -3.9074 -3.9074 -2.5902 -2.5902 -1.1070 -1.1070 -0.5212 -0.5212 -0.3894 -0.3894 0.3103 0.3103 0.5141 0.5141 1.0812 1.0812 1.7738 1.7738 1.7914 1.7914 2.0131 2.0131 2.0606 2.0606 2.1448 2.1448 2.8695 2.8695 9.0335 9.0335 10.5697 10.5697 11.3385 11.3385 14.3437 14.3437 k = 0.2131 0.2131 0.2845 ( 3420 PWs) bands (ev): -18.6928 -18.6928 -17.9307 -17.9307 -17.2914 -17.2914 -17.1132 -17.1132 -6.1369 -6.1369 -6.1143 -6.1143 -3.9840 -3.9840 -3.9549 -3.9549 -3.9041 -3.9041 -2.5492 -2.5492 -1.1553 -1.1553 -0.5549 -0.5549 -0.3844 -0.3844 0.3500 0.3500 0.5484 0.5484 1.0804 1.0804 1.7720 1.7720 1.7976 1.7976 2.0175 2.0175 2.0636 2.0636 2.1311 2.1311 2.8387 2.8387 9.0040 9.0040 10.6273 10.6273 11.4527 11.4527 14.2969 14.2969 k = 0.2049 0.2049 0.2845 ( 3424 PWs) bands (ev): -18.7105 -18.7105 -17.9203 -17.9203 -17.2930 -17.2930 -17.1090 -17.1090 -6.1386 -6.1386 -6.1151 -6.1151 -3.9886 -3.9886 -3.9564 -3.9564 -3.9008 -3.9008 -2.5086 -2.5086 -1.2029 -1.2029 -0.5876 -0.5876 -0.3781 -0.3781 0.3873 0.3873 0.5831 0.5831 1.0820 1.0820 1.7636 1.7636 1.8102 1.8102 2.0231 2.0231 2.0639 2.0639 2.1169 2.1169 2.8088 2.8088 8.9678 8.9678 10.6925 10.6925 11.5692 11.5692 14.2502 14.2502 k = 0.1967 0.1967 0.2845 ( 3420 PWs) bands (ev): -18.7277 -18.7277 -17.9101 -17.9101 -17.2947 -17.2947 -17.1051 -17.1051 -6.1403 -6.1403 -6.1158 -6.1158 -3.9930 -3.9930 -3.9582 -3.9582 -3.8974 -3.8974 -2.4683 -2.4683 -1.2498 -1.2498 -0.6192 -0.6192 -0.3706 -0.3706 0.4218 0.4218 0.6182 0.6182 1.0863 1.0863 1.7537 1.7537 1.8246 1.8246 2.0294 2.0294 2.0611 2.0611 2.1023 2.1023 2.7803 2.7803 8.9259 8.9259 10.7644 10.7644 11.6876 11.6876 14.2038 14.2038 k = 0.1885 0.1885 0.2845 ( 3414 PWs) bands (ev): -18.7445 -18.7445 -17.9001 -17.9001 -17.2963 -17.2963 -17.1013 -17.1013 -6.1420 -6.1420 -6.1166 -6.1166 -3.9973 -3.9973 -3.9601 -3.9601 -3.8939 -3.8939 -2.4286 -2.4286 -1.2956 -1.2956 -0.6496 -0.6496 -0.3620 -0.3620 0.4528 0.4528 0.6536 0.6536 1.0939 1.0939 1.7431 1.7431 1.8400 1.8400 2.0363 2.0363 2.0546 2.0546 2.0876 2.0876 2.7539 2.7539 8.8795 8.8795 10.8419 10.8419 11.8079 11.8079 14.1578 14.1578 k = 0.1803 0.1803 0.2845 ( 3416 PWs) bands (ev): -18.7608 -18.7608 -17.8902 -17.8902 -17.2979 -17.2979 -17.0977 -17.0977 -6.1437 -6.1437 -6.1174 -6.1174 -4.0015 -4.0015 -3.9622 -3.9622 -3.8906 -3.8906 -2.3896 -2.3896 -1.3405 -1.3405 -0.6789 -0.6789 -0.3522 -0.3522 0.4799 0.4799 0.6894 0.6894 1.1050 1.1050 1.7322 1.7322 1.8561 1.8561 2.0411 2.0411 2.0462 2.0462 2.0730 2.0730 2.7298 2.7298 8.8295 8.8295 10.9240 10.9240 11.9296 11.9296 14.1124 14.1124 k = 0.1721 0.1721 0.2845 ( 3422 PWs) bands (ev): -18.7765 -18.7765 -17.8805 -17.8805 -17.2995 -17.2995 -17.0943 -17.0943 -6.1454 -6.1454 -6.1183 -6.1183 -4.0055 -4.0055 -3.9644 -3.9644 -3.8873 -3.8873 -2.3512 -2.3512 -1.3841 -1.3841 -0.7070 -0.7070 -0.3413 -0.3413 0.5026 0.5026 0.7254 0.7254 1.1200 1.1200 1.7214 1.7214 1.8727 1.8727 2.0284 2.0284 2.0496 2.0496 2.0597 2.0597 2.7087 2.7087 8.7769 8.7769 11.0099 11.0099 12.0527 12.0527 14.0678 14.0678 k = 0.1639 0.1639 0.2845 ( 3422 PWs) bands (ev): -18.7918 -18.7918 -17.8711 -17.8711 -17.3010 -17.3010 -17.0910 -17.0910 -6.1471 -6.1471 -6.1192 -6.1192 -4.0093 -4.0093 -3.9667 -3.9667 -3.8840 -3.8840 -2.3135 -2.3135 -1.4265 -1.4265 -0.7338 -0.7338 -0.3293 -0.3293 0.5207 0.5207 0.7616 0.7616 1.1388 1.1388 1.7107 1.7107 1.8898 1.8898 2.0106 2.0106 2.0387 2.0387 2.0614 2.0614 2.6906 2.6906 8.7224 8.7224 11.0986 11.0986 12.1768 12.1768 14.0242 14.0242 k = 0.1557 0.1557 0.2845 ( 3422 PWs) bands (ev): -18.8064 -18.8064 -17.8619 -17.8619 -17.3025 -17.3025 -17.0879 -17.0879 -6.1488 -6.1488 -6.1201 -6.1201 -4.0130 -4.0130 -3.9690 -3.9690 -3.8809 -3.8809 -2.2768 -2.2768 -1.4675 -1.4675 -0.7594 -0.7594 -0.3164 -0.3164 0.5344 0.5344 0.7980 0.7980 1.1614 1.1614 1.7002 1.7002 1.9072 1.9072 1.9900 1.9900 2.0204 2.0204 2.0688 2.0688 2.6757 2.6757 8.6668 8.6668 11.1896 11.1896 12.3018 12.3018 13.9817 13.9817 k = 0.1475 0.1475 0.2845 ( 3422 PWs) bands (ev): -18.8205 -18.8205 -17.8530 -17.8530 -17.3040 -17.3040 -17.0850 -17.0850 -6.1505 -6.1505 -6.1210 -6.1210 -4.0165 -4.0165 -3.9714 -3.9714 -3.8779 -3.8779 -2.2410 -2.2410 -1.5070 -1.5070 -0.7837 -0.7837 -0.3025 -0.3025 0.5439 0.5439 0.8345 0.8345 1.1872 1.1872 1.6900 1.6900 1.9246 1.9246 1.9672 1.9672 1.9999 1.9999 2.0764 2.0764 2.6639 2.6639 8.6107 8.6107 11.2820 11.2820 12.4272 12.4272 13.9406 13.9406 k = 0.1393 0.1393 0.2845 ( 3422 PWs) bands (ev): -18.8340 -18.8340 -17.8444 -17.8444 -17.3054 -17.3054 -17.0823 -17.0823 -6.1521 -6.1521 -6.1219 -6.1219 -4.0199 -4.0199 -3.9739 -3.9739 -3.8750 -3.8750 -2.2063 -2.2063 -1.5449 -1.5449 -0.8067 -0.8067 -0.2879 -0.2879 0.5496 0.5496 0.8712 0.8712 1.2157 1.2157 1.6802 1.6802 1.9377 1.9377 1.9462 1.9462 1.9781 1.9781 2.0841 2.0841 2.6550 2.6550 8.5547 8.5547 11.3753 11.3753 12.5528 12.5528 13.9012 13.9012 k = 0.1311 0.1311 0.2845 ( 3422 PWs) bands (ev): -18.8467 -18.8467 -17.8362 -17.8362 -17.3068 -17.3068 -17.0797 -17.0797 -6.1536 -6.1536 -6.1228 -6.1228 -4.0230 -4.0230 -3.9763 -3.9763 -3.8722 -3.8722 -2.1727 -2.1727 -1.5812 -1.5812 -0.8284 -0.8284 -0.2725 -0.2725 0.5519 0.5519 0.9079 0.9079 1.2462 1.2462 1.6709 1.6709 1.9133 1.9133 1.9517 1.9517 1.9638 1.9638 2.0917 2.0917 2.6488 2.6488 8.4992 8.4992 11.4686 11.4686 12.6782 12.6782 13.8637 13.8637 k = 0.1230 0.1230 0.2845 ( 3418 PWs) bands (ev): -18.8589 -18.8589 -17.8283 -17.8283 -17.3081 -17.3081 -17.0772 -17.0772 -6.1552 -6.1552 -6.1236 -6.1236 -4.0260 -4.0260 -3.9787 -3.9787 -3.8695 -3.8695 -2.1404 -2.1404 -1.6156 -1.6156 -0.8488 -0.8488 -0.2565 -0.2565 0.5516 0.5516 0.9446 0.9446 1.2781 1.2781 1.6620 1.6620 1.8837 1.8837 1.9295 1.9295 1.9794 1.9794 2.0991 2.0991 2.6448 2.6448 8.4448 8.4448 11.5613 11.5613 12.8032 12.8032 13.8282 13.8282 k = 0.1148 0.1148 0.2845 ( 3418 PWs) bands (ev): -18.8703 -18.8703 -17.8209 -17.8209 -17.3094 -17.3094 -17.0750 -17.0750 -6.1566 -6.1566 -6.1245 -6.1245 -4.0288 -4.0288 -3.9810 -3.9810 -3.8670 -3.8670 -2.1095 -2.1095 -1.6483 -1.6483 -0.8679 -0.8679 -0.2401 -0.2401 0.5490 0.5490 0.9813 0.9813 1.3107 1.3107 1.6536 1.6536 1.8524 1.8524 1.9050 1.9050 1.9965 1.9965 2.1062 2.1062 2.6427 2.6427 8.3918 8.3918 11.6528 11.6528 12.9272 12.9272 13.7951 13.7951 k = 0.1066 0.1066 0.2845 ( 3418 PWs) bands (ev): -18.8811 -18.8811 -17.8138 -17.8138 -17.3106 -17.3106 -17.0729 -17.0729 -6.1580 -6.1580 -6.1253 -6.1253 -4.0315 -4.0315 -3.9833 -3.9833 -3.8646 -3.8646 -2.0801 -2.0801 -1.6790 -1.6790 -0.8856 -0.8856 -0.2233 -0.2233 0.5448 0.5448 1.0180 1.0180 1.3433 1.3433 1.6458 1.6458 1.8200 1.8200 1.8799 1.8799 2.0134 2.0134 2.1131 2.1131 2.6421 2.6421 8.3407 8.3407 11.7423 11.7423 13.0499 13.0499 13.7645 13.7645 k = 0.0984 0.0984 0.2845 ( 3434 PWs) bands (ev): -18.8911 -18.8911 -17.8072 -17.8072 -17.3117 -17.3117 -17.0710 -17.0710 -6.1594 -6.1594 -6.1262 -6.1262 -4.0339 -4.0339 -3.9856 -3.9856 -3.8624 -3.8624 -2.0523 -2.0523 -1.7078 -1.7078 -0.9020 -0.9020 -0.2064 -0.2064 0.5393 0.5393 1.0545 1.0545 1.3754 1.3754 1.6385 1.6385 1.7870 1.7870 1.8542 1.8542 2.0297 2.0297 2.1198 2.1198 2.6426 2.6426 8.2919 8.2919 11.8291 11.8291 13.1707 13.1707 13.7368 13.7368 k = 0.0902 0.0902 0.2845 ( 3430 PWs) bands (ev): -18.9004 -18.9004 -17.8010 -17.8010 -17.3127 -17.3127 -17.0692 -17.0692 -6.1606 -6.1606 -6.1269 -6.1269 -4.0362 -4.0362 -3.9877 -3.9877 -3.8604 -3.8604 -2.0261 -2.0261 -1.7345 -1.7345 -0.9171 -0.9171 -0.1896 -0.1896 0.5329 0.5329 1.0909 1.0909 1.4065 1.4065 1.6317 1.6317 1.7542 1.7542 1.8280 1.8280 2.0452 2.0452 2.1262 2.1262 2.6441 2.6441 8.2456 8.2456 11.9124 11.9124 13.2889 13.2889 13.7122 13.7122 k = 0.0820 0.0820 0.2845 ( 3434 PWs) bands (ev): -18.9089 -18.9089 -17.7953 -17.7953 -17.3137 -17.3137 -17.0676 -17.0676 -6.1618 -6.1618 -6.1276 -6.1276 -4.0383 -4.0383 -3.9897 -3.9897 -3.8585 -3.8585 -2.0018 -2.0018 -1.7591 -1.7591 -0.9309 -0.9309 -0.1731 -0.1731 0.5261 0.5261 1.1271 1.1271 1.4361 1.4361 1.6256 1.6256 1.7220 1.7220 1.8012 1.8012 2.0599 2.0599 2.1324 2.1324 2.6461 2.6461 8.2022 8.2022 11.9913 11.9913 13.4037 13.4037 13.6910 13.6910 k = 0.0738 0.0738 0.2845 ( 3434 PWs) bands (ev): -18.9166 -18.9166 -17.7901 -17.7901 -17.3146 -17.3146 -17.0661 -17.0661 -6.1629 -6.1629 -6.1283 -6.1283 -4.0401 -4.0401 -3.9916 -3.9916 -3.8568 -3.8568 -1.9794 -1.9794 -1.7815 -1.7815 -0.9433 -0.9433 -0.1570 -0.1570 0.5191 0.5191 1.1631 1.1631 1.4638 1.4638 1.6200 1.6200 1.6911 1.6911 1.7741 1.7741 2.0734 2.0734 2.1384 2.1384 2.6485 2.6485 8.1620 8.1620 12.0653 12.0653 13.5135 13.5135 13.6740 13.6740 k = 0.0656 0.0656 0.2845 ( 3442 PWs) bands (ev): -18.9236 -18.9236 -17.7854 -17.7854 -17.3154 -17.3154 -17.0648 -17.0648 -6.1639 -6.1639 -6.1289 -6.1289 -4.0418 -4.0418 -3.9934 -3.9934 -3.8552 -3.8552 -1.9590 -1.9590 -1.8017 -1.8017 -0.9544 -0.9544 -0.1417 -0.1417 0.5121 0.5121 1.1987 1.1987 1.4892 1.4892 1.6150 1.6150 1.6619 1.6619 1.7464 1.7464 2.0856 2.0856 2.1442 2.1442 2.6510 2.6510 8.1253 8.1253 12.1333 12.1333 13.6103 13.6103 13.6684 13.6684 k = 0.0574 0.0574 0.2845 ( 3440 PWs) bands (ev): -18.9298 -18.9298 -17.7812 -17.7812 -17.3162 -17.3162 -17.0637 -17.0637 -6.1648 -6.1648 -6.1295 -6.1295 -4.0433 -4.0433 -3.9949 -3.9949 -3.8538 -3.8538 -1.9408 -1.9408 -1.8196 -1.8196 -0.9642 -0.9642 -0.1274 -0.1274 0.5055 0.5055 1.2339 1.2339 1.5121 1.5121 1.6104 1.6104 1.6351 1.6351 1.7186 1.7186 2.0963 2.0963 2.1498 2.1498 2.6536 2.6536 8.0923 8.0923 12.1949 12.1949 13.6351 13.6351 13.7317 13.7317 k = 0.0492 0.0492 0.2845 ( 3444 PWs) bands (ev): -18.9352 -18.9352 -17.7775 -17.7775 -17.3168 -17.3168 -17.0627 -17.0627 -6.1656 -6.1656 -6.1300 -6.1300 -4.0446 -4.0446 -3.9963 -3.9963 -3.8526 -3.8526 -1.9248 -1.9248 -1.8352 -1.8352 -0.9727 -0.9727 -0.1143 -0.1143 0.4993 0.4993 1.2685 1.2685 1.5321 1.5321 1.6033 1.6033 1.6139 1.6139 1.6906 1.6906 2.1054 2.1054 2.1552 2.1552 2.6561 2.6561 8.0632 8.0632 12.2492 12.2492 13.6292 13.6292 13.8214 13.8214 k = 0.0410 0.0410 0.2845 ( 3438 PWs) bands (ev): -18.9397 -18.9397 -17.7744 -17.7744 -17.3173 -17.3173 -17.0618 -17.0618 -6.1662 -6.1662 -6.1304 -6.1304 -4.0457 -4.0457 -3.9975 -3.9975 -3.8516 -3.8516 -1.9111 -1.9111 -1.8484 -1.8484 -0.9799 -0.9799 -0.1027 -0.1027 0.4938 0.4938 1.3024 1.3024 1.5487 1.5487 1.5852 1.5852 1.6074 1.6074 1.6628 1.6628 2.1130 2.1130 2.1602 2.1602 2.6584 2.6584 8.0382 8.0382 12.2959 12.2959 13.6232 13.6232 13.9045 13.9045 k = 0.0328 0.0328 0.2845 ( 3438 PWs) bands (ev): -18.9435 -18.9435 -17.7718 -17.7718 -17.3177 -17.3177 -17.0611 -17.0611 -6.1668 -6.1668 -6.1307 -6.1307 -4.0466 -4.0466 -3.9985 -3.9985 -3.8507 -3.8507 -1.8998 -1.8998 -1.8592 -1.8592 -0.9857 -0.9857 -0.0928 -0.0928 0.4891 0.4891 1.3354 1.3354 1.5617 1.5617 1.5663 1.5663 1.6055 1.6055 1.6360 1.6360 2.1189 2.1189 2.1647 2.1647 2.6603 2.6603 8.0175 8.0175 12.3344 12.3344 13.6189 13.6189 13.9773 13.9773 k = 0.0246 0.0246 0.2845 ( 3446 PWs) bands (ev): -18.9464 -18.9464 -17.7698 -17.7698 -17.3181 -17.3181 -17.0606 -17.0606 -6.1672 -6.1672 -6.1310 -6.1310 -4.0474 -4.0474 -3.9992 -3.9992 -3.8501 -3.8501 -1.8912 -1.8912 -1.8674 -1.8674 -0.9903 -0.9903 -0.0848 -0.0848 0.4854 0.4854 1.3668 1.3668 1.5491 1.5491 1.5709 1.5709 1.6033 1.6033 1.6131 1.6131 2.1233 2.1233 2.1685 2.1685 2.6619 2.6619 8.0013 8.0013 12.3646 12.3646 13.6161 13.6161 14.0371 14.0371 k = 0.0164 0.0164 0.2845 ( 3448 PWs) bands (ev): -18.9485 -18.9485 -17.7684 -17.7684 -17.3183 -17.3183 -17.0602 -17.0602 -6.1676 -6.1676 -6.1312 -6.1312 -4.0479 -4.0479 -3.9998 -3.9998 -3.8496 -3.8496 -1.8854 -1.8854 -1.8729 -1.8729 -0.9936 -0.9936 -0.0790 -0.0790 0.4826 0.4826 1.3954 1.3954 1.5337 1.5337 1.5762 1.5762 1.5879 1.5879 1.6087 1.6087 2.1264 2.1264 2.1714 2.1714 2.6631 2.6631 7.9896 7.9896 12.3862 12.3862 13.6145 13.6145 14.0819 14.0819 k = 0.0082 0.0082 0.2845 ( 3444 PWs) bands (ev): -18.9497 -18.9497 -17.7675 -17.7675 -17.3185 -17.3185 -17.0600 -17.0600 -6.1677 -6.1677 -6.1313 -6.1313 -4.0482 -4.0482 -4.0001 -4.0001 -3.8494 -3.8494 -1.8830 -1.8830 -1.8751 -1.8751 -0.9955 -0.9955 -0.0755 -0.0755 0.4810 0.4810 1.4182 1.4182 1.5201 1.5201 1.5740 1.5740 1.5791 1.5791 1.6098 1.6098 2.1282 2.1282 2.1732 2.1732 2.6638 2.6638 7.9825 7.9825 12.3992 12.3992 13.6137 13.6137 14.1097 14.1097 k = 0.0000 0.0000 0.2845 ( 3444 PWs) bands (ev): -18.9502 -18.9502 -17.7672 -17.7672 -17.3185 -17.3185 -17.0599 -17.0599 -6.1678 -6.1678 -6.1313 -6.1313 -4.0483 -4.0483 -4.0003 -4.0003 -3.8493 -3.8493 -1.8828 -1.8828 -1.8753 -1.8753 -0.9962 -0.9962 -0.0743 -0.0743 0.4804 0.4804 1.4279 1.4279 1.5137 1.5137 1.5692 1.5692 1.5797 1.5797 1.6103 1.6103 2.1288 2.1288 2.1738 2.1738 2.6641 2.6641 7.9802 7.9802 12.4035 12.4035 13.6135 13.6135 14.1191 14.1191 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -18.4374 -18.4374 -18.2014 -18.2014 -17.2104 -17.2104 -17.1682 -17.1682 -6.1524 -6.1524 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8621 -3.8621 -2.2246 -2.2246 -1.5179 -1.5179 -0.2982 -0.2982 -0.1679 -0.1679 0.1342 0.1342 0.5388 0.5388 0.9982 0.9982 0.9991 0.9991 1.7551 1.7551 1.7717 1.7717 2.1038 2.1038 2.4674 2.4674 3.4592 3.4592 7.6271 7.6271 10.4334 10.4334 13.8626 13.8626 14.7176 14.7176 k = 0.0000 0.5000 0.0114 ( 3436 PWs) bands (ev): -18.4374 -18.4374 -18.2014 -18.2014 -17.2111 -17.2111 -17.1676 -17.1676 -6.1524 -6.1524 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8621 -3.8621 -2.2242 -2.2242 -1.5179 -1.5179 -0.3088 -0.3088 -0.1564 -0.1564 0.1308 0.1308 0.5425 0.5425 0.9980 0.9980 0.9998 0.9998 1.7549 1.7549 1.7708 1.7708 2.1039 2.1039 2.4650 2.4650 3.4601 3.4601 7.6277 7.6277 10.4328 10.4328 13.8622 13.8622 14.7215 14.7215 k = 0.0000 0.5000 0.0228 ( 3440 PWs) bands (ev): -18.4373 -18.4373 -18.2014 -18.2014 -17.2130 -17.2130 -17.1658 -17.1658 -6.1525 -6.1525 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8622 -3.8622 -2.2229 -2.2229 -1.5180 -1.5180 -0.3336 -0.3336 -0.1290 -0.1290 0.1208 0.1208 0.5531 0.5531 0.9978 0.9978 1.0015 1.0015 1.7545 1.7545 1.7683 1.7683 2.1042 2.1042 2.4581 2.4581 3.4628 3.4628 7.6297 7.6297 10.4310 10.4310 13.8610 13.8610 14.7332 14.7332 k = 0.0000 0.5000 0.0341 ( 3436 PWs) bands (ev): -18.4371 -18.4371 -18.2014 -18.2014 -17.2158 -17.2158 -17.1631 -17.1631 -6.1524 -6.1524 -6.0874 -6.0874 -4.0274 -4.0274 -3.9172 -3.9172 -3.8622 -3.8622 -2.2209 -2.2209 -1.5181 -1.5181 -0.3640 -0.3640 -0.0944 -0.0944 0.1054 0.1054 0.5699 0.5699 0.9977 0.9977 1.0041 1.0041 1.7536 1.7536 1.7643 1.7643 2.1047 2.1047 2.4468 2.4468 3.4671 3.4671 7.6331 7.6331 10.4281 10.4281 13.8589 13.8589 14.7525 14.7525 k = 0.0000 0.5000 0.0455 ( 3448 PWs) bands (ev): -18.4369 -18.4369 -18.2014 -18.2014 -17.2194 -17.2194 -17.1598 -17.1598 -6.1525 -6.1525 -6.0875 -6.0875 -4.0274 -4.0274 -3.9173 -3.9173 -3.8623 -3.8623 -2.2181 -2.2181 -1.5182 -1.5182 -0.3961 -0.3961 -0.0564 -0.0564 0.0857 0.0857 0.5915 0.5915 0.9977 0.9977 1.0078 1.0078 1.7514 1.7514 1.7596 1.7596 2.1054 2.1054 2.4311 2.4311 3.4730 3.4730 7.6376 7.6376 10.4242 10.4242 13.8562 13.8562 14.7793 14.7793 k = 0.0000 0.5000 0.0569 ( 3446 PWs) bands (ev): -18.4367 -18.4367 -18.2014 -18.2014 -17.2233 -17.2233 -17.1562 -17.1562 -6.1525 -6.1525 -6.0875 -6.0875 -4.0274 -4.0274 -3.9174 -3.9174 -3.8623 -3.8623 -2.2145 -2.2145 -1.5183 -1.5183 -0.4282 -0.4282 -0.0169 -0.0169 0.0628 0.0628 0.6169 0.6169 0.9978 0.9978 1.0125 1.0125 1.7462 1.7462 1.7561 1.7561 2.1062 2.1062 2.4113 2.4113 3.4802 3.4802 7.6434 7.6434 10.4192 10.4192 13.8530 13.8530 14.8134 14.8134 k = 0.0000 0.5000 0.0683 ( 3444 PWs) bands (ev): -18.4364 -18.4364 -18.2014 -18.2014 -17.2275 -17.2275 -17.1523 -17.1523 -6.1525 -6.1525 -6.0875 -6.0875 -4.0274 -4.0274 -3.9174 -3.9174 -3.8624 -3.8624 -2.2103 -2.2103 -1.5185 -1.5185 -0.4599 -0.4599 0.0234 0.0234 0.0379 0.0379 0.6450 0.6450 0.9979 0.9979 1.0185 1.0185 1.7375 1.7375 1.7542 1.7542 2.1072 2.1072 2.3877 2.3877 3.4885 3.4885 7.6503 7.6503 10.4134 10.4134 13.8493 13.8493 14.8544 14.8544 k = 0.0000 0.5000 0.0797 ( 3444 PWs) bands (ev): -18.4361 -18.4361 -18.2014 -18.2014 -17.2318 -17.2318 -17.1483 -17.1483 -6.1525 -6.1525 -6.0876 -6.0876 -4.0274 -4.0274 -3.9175 -3.9175 -3.8625 -3.8625 -2.2054 -2.2054 -1.5187 -1.5187 -0.4906 -0.4906 0.0114 0.0114 0.0643 0.0643 0.6752 0.6752 0.9980 0.9980 1.0258 1.0258 1.7265 1.7265 1.7528 1.7528 2.1083 2.1083 2.3605 2.3605 3.4977 3.4977 7.6582 7.6582 10.4068 10.4068 13.8454 13.8454 14.9016 14.9016 k = 0.0000 0.5000 0.0910 ( 3440 PWs) bands (ev): -18.4357 -18.4357 -18.2014 -18.2014 -17.2362 -17.2362 -17.1444 -17.1444 -6.1524 -6.1524 -6.0876 -6.0876 -4.0274 -4.0274 -3.9176 -3.9176 -3.8626 -3.8626 -2.1999 -2.1999 -1.5189 -1.5189 -0.5201 -0.5201 -0.0157 -0.0157 0.1049 0.1049 0.7069 0.7069 0.9982 0.9982 1.0346 1.0346 1.7137 1.7137 1.7515 1.7515 2.1095 2.1095 2.3301 2.3301 3.5076 3.5076 7.6669 7.6669 10.3995 10.3995 13.8413 13.8413 14.9306 14.9306 k = 0.0000 0.5000 0.1024 ( 3446 PWs) bands (ev): -18.4354 -18.4354 -18.2014 -18.2014 -17.2405 -17.2405 -17.1405 -17.1405 -6.1525 -6.1525 -6.0876 -6.0876 -4.0273 -4.0273 -3.9177 -3.9177 -3.8627 -3.8627 -2.1939 -2.1939 -1.5192 -1.5192 -0.5484 -0.5484 -0.0430 -0.0430 0.1451 0.1451 0.7397 0.7397 0.9984 0.9984 1.0451 1.0451 1.6992 1.6992 1.7502 1.7502 2.1108 2.1108 2.2967 2.2967 3.5179 3.5179 7.6764 7.6764 10.3918 10.3918 13.8372 13.8372 14.8689 14.8689 k = 0.0000 0.5000 0.1138 ( 3450 PWs) bands (ev): -18.4349 -18.4349 -18.2014 -18.2014 -17.2448 -17.2448 -17.1367 -17.1367 -6.1525 -6.1525 -6.0877 -6.0877 -4.0273 -4.0273 -3.9179 -3.9179 -3.8628 -3.8628 -2.1875 -2.1875 -1.5194 -1.5194 -0.5752 -0.5752 -0.0703 -0.0703 0.1845 0.1845 0.7732 0.7732 0.9985 0.9985 1.0573 1.0573 1.6832 1.6832 1.7489 1.7489 2.1121 2.1121 2.2606 2.2606 3.5284 3.5284 7.6865 7.6865 10.3836 10.3836 13.8331 13.8331 14.8040 14.8040 k = 0.0000 0.5000 0.1252 ( 3462 PWs) bands (ev): -18.4345 -18.4345 -18.2014 -18.2014 -17.2489 -17.2489 -17.1330 -17.1330 -6.1525 -6.1525 -6.0878 -6.0878 -4.0273 -4.0273 -3.9180 -3.9180 -3.8630 -3.8630 -2.1808 -2.1808 -1.5197 -1.5197 -0.6006 -0.6006 -0.0972 -0.0972 0.2227 0.2227 0.8073 0.8073 0.9988 0.9988 1.0716 1.0716 1.6656 1.6656 1.7476 1.7476 2.1133 2.1133 2.2223 2.2223 3.5389 3.5389 7.6970 7.6970 10.3753 10.3753 13.8292 13.8292 14.7406 14.7406 k = 0.0000 0.5000 0.1366 ( 3458 PWs) bands (ev): -18.4341 -18.4341 -18.2014 -18.2014 -17.2529 -17.2529 -17.1295 -17.1295 -6.1525 -6.1525 -6.0878 -6.0878 -4.0273 -4.0273 -3.9181 -3.9181 -3.8631 -3.8631 -2.1738 -2.1738 -1.5200 -1.5200 -0.6244 -0.6244 -0.1233 -0.1233 0.2595 0.2595 0.8417 0.8417 0.9990 0.9990 1.0882 1.0882 1.6467 1.6467 1.7463 1.7463 2.1140 2.1140 2.1822 2.1822 3.5493 3.5493 7.7079 7.7079 10.3668 10.3668 13.8255 13.8255 14.6795 14.6795 k = 0.0000 0.5000 0.1479 ( 3454 PWs) bands (ev): -18.4336 -18.4336 -18.2013 -18.2013 -17.2568 -17.2568 -17.1262 -17.1262 -6.1525 -6.1525 -6.0878 -6.0878 -4.0273 -4.0273 -3.9182 -3.9182 -3.8632 -3.8632 -2.1667 -2.1667 -1.5202 -1.5202 -0.6466 -0.6466 -0.1485 -0.1485 0.2945 0.2945 0.8763 0.8763 0.9993 0.9993 1.1071 1.1071 1.6265 1.6265 1.7450 1.7450 2.1123 2.1123 2.1427 2.1427 3.5595 3.5595 7.7188 7.7188 10.3584 10.3584 13.8220 13.8220 14.6212 14.6212 k = 0.0000 0.5000 0.1593 ( 3442 PWs) bands (ev): -18.4332 -18.4332 -18.2013 -18.2013 -17.2604 -17.2604 -17.1231 -17.1231 -6.1524 -6.1524 -6.0879 -6.0879 -4.0272 -4.0272 -3.9183 -3.9183 -3.8633 -3.8633 -2.1596 -2.1596 -1.5205 -1.5205 -0.6672 -0.6672 -0.1725 -0.1725 0.3273 0.3273 0.9109 0.9109 0.9996 0.9996 1.1287 1.1287 1.6051 1.6051 1.7437 1.7437 2.0885 2.0885 2.1236 2.1236 3.5692 3.5692 7.7297 7.7297 10.3502 10.3502 13.8188 13.8188 14.5660 14.5660 k = 0.0000 0.5000 0.1707 ( 3442 PWs) bands (ev): -18.4327 -18.4327 -18.2013 -18.2013 -17.2637 -17.2637 -17.1202 -17.1202 -6.1524 -6.1524 -6.0879 -6.0879 -4.0272 -4.0272 -3.9185 -3.9185 -3.8634 -3.8634 -2.1525 -2.1525 -1.5207 -1.5207 -0.6861 -0.6861 -0.1952 -0.1952 0.3578 0.3578 0.9453 0.9453 1.0001 1.0001 1.1530 1.1530 1.5826 1.5826 1.7425 1.7425 2.0451 2.0451 2.1225 2.1225 3.5783 3.5783 7.7403 7.7403 10.3423 10.3423 13.8160 13.8160 14.5143 14.5143 k = 0.0000 0.5000 0.1821 ( 3438 PWs) bands (ev): -18.4323 -18.4323 -18.2013 -18.2013 -17.2669 -17.2669 -17.1176 -17.1176 -6.1524 -6.1524 -6.0879 -6.0879 -4.0272 -4.0272 -3.9186 -3.9186 -3.8635 -3.8635 -2.1457 -2.1457 -1.5210 -1.5210 -0.7032 -0.7032 -0.2163 -0.2163 0.3855 0.3855 0.9785 0.9785 1.0017 1.0017 1.1802 1.1802 1.5590 1.5590 1.7413 1.7413 1.9985 1.9985 2.1233 2.1233 3.5869 3.5869 7.7505 7.7505 10.3348 10.3348 13.8135 13.8135 14.4664 14.4664 k = 0.0000 0.5000 0.1934 ( 3438 PWs) bands (ev): -18.4319 -18.4319 -18.2013 -18.2013 -17.2697 -17.2697 -17.1152 -17.1152 -6.1524 -6.1524 -6.0880 -6.0880 -4.0272 -4.0272 -3.9187 -3.9187 -3.8636 -3.8636 -2.1392 -2.1392 -1.5212 -1.5212 -0.7187 -0.7187 -0.2357 -0.2357 0.4105 0.4105 0.9969 0.9969 1.0177 1.0177 1.2102 1.2102 1.5345 1.5345 1.7402 1.7402 1.9506 1.9506 2.1243 2.1243 3.5947 3.5947 7.7602 7.7602 10.3278 10.3278 13.8114 13.8114 14.4226 14.4226 k = 0.0000 0.5000 0.2048 ( 3446 PWs) bands (ev): -18.4316 -18.4316 -18.2013 -18.2013 -17.2723 -17.2723 -17.1131 -17.1131 -6.1524 -6.1524 -6.0880 -6.0880 -4.0272 -4.0272 -3.9188 -3.9188 -3.8638 -3.8638 -2.1331 -2.1331 -1.5215 -1.5215 -0.7323 -0.7323 -0.2532 -0.2532 0.4324 0.4324 0.9987 0.9987 1.0500 1.0500 1.2430 1.2430 1.5091 1.5091 1.7392 1.7392 1.9017 1.9017 2.1254 2.1254 3.6018 3.6018 7.7691 7.7691 10.3214 10.3214 13.8097 13.8097 14.3831 14.3831 k = 0.0000 0.5000 0.2162 ( 3448 PWs) bands (ev): -18.4312 -18.4312 -18.2013 -18.2013 -17.2745 -17.2745 -17.1112 -17.1112 -6.1524 -6.1524 -6.0881 -6.0881 -4.0272 -4.0272 -3.9189 -3.9189 -3.8638 -3.8638 -2.1276 -2.1276 -1.5216 -1.5216 -0.7442 -0.7442 -0.2688 -0.2688 0.4514 0.4514 0.9992 0.9992 1.0830 1.0830 1.2784 1.2784 1.4832 1.4832 1.7383 1.7383 1.8523 1.8523 2.1264 2.1264 3.6080 3.6080 7.7772 7.7772 10.3157 10.3157 13.8083 13.8083 14.3483 14.3483 k = 0.0000 0.5000 0.2276 ( 3448 PWs) bands (ev): -18.4309 -18.4309 -18.2013 -18.2013 -17.2764 -17.2764 -17.1096 -17.1096 -6.1524 -6.1524 -6.0881 -6.0881 -4.0271 -4.0271 -3.9190 -3.9190 -3.8639 -3.8639 -2.1228 -2.1228 -1.5218 -1.5218 -0.7543 -0.7543 -0.2822 -0.2822 0.4672 0.4672 0.9995 0.9995 1.1155 1.1155 1.3162 1.3162 1.4570 1.4570 1.7375 1.7375 1.8026 1.8026 2.1273 2.1273 3.6133 3.6133 7.7842 7.7842 10.3108 10.3108 13.8073 13.8073 14.3183 14.3183 k = 0.0000 0.5000 0.2390 ( 3448 PWs) bands (ev): -18.4307 -18.4307 -18.2013 -18.2013 -17.2780 -17.2780 -17.1083 -17.1083 -6.1524 -6.1524 -6.0881 -6.0881 -4.0271 -4.0271 -3.9190 -3.9190 -3.8640 -3.8640 -2.1186 -2.1186 -1.5220 -1.5220 -0.7626 -0.7626 -0.2933 -0.2933 0.4801 0.4801 0.9997 0.9997 1.1470 1.1470 1.3556 1.3556 1.4310 1.4310 1.7369 1.7369 1.7531 1.7531 2.1281 2.1281 3.6178 3.6178 7.7902 7.7902 10.3066 10.3066 13.8065 13.8065 14.2934 14.2934 k = 0.0000 0.5000 0.2503 ( 3448 PWs) bands (ev): -18.4305 -18.4305 -18.2013 -18.2013 -17.2793 -17.2793 -17.1072 -17.1072 -6.1524 -6.1524 -6.0881 -6.0881 -4.0271 -4.0271 -3.9191 -3.9191 -3.8640 -3.8640 -2.1154 -2.1154 -1.5221 -1.5221 -0.7690 -0.7690 -0.3020 -0.3020 0.4901 0.4901 0.9998 0.9998 1.1768 1.1768 1.3913 1.3913 1.4108 1.4108 1.7043 1.7043 1.7364 1.7364 2.1287 2.1287 3.6212 3.6212 7.7949 7.7949 10.3034 10.3034 13.8060 13.8060 14.2738 14.2738 k = 0.0000 0.5000 0.2617 ( 3450 PWs) bands (ev): -18.4304 -18.4304 -18.2013 -18.2013 -17.2802 -17.2802 -17.1065 -17.1065 -6.1524 -6.1524 -6.0882 -6.0882 -4.0271 -4.0271 -3.9191 -3.9191 -3.8641 -3.8641 -2.1130 -2.1130 -1.5222 -1.5222 -0.7736 -0.7736 -0.3083 -0.3083 0.4971 0.4971 0.9999 0.9999 1.2034 1.2034 1.3786 1.3786 1.4413 1.4413 1.6575 1.6575 1.7360 1.7360 2.1292 2.1292 3.6237 3.6237 7.7983 7.7983 10.3010 10.3010 13.8057 13.8057 14.2597 14.2597 k = 0.0000 0.5000 0.2731 ( 3438 PWs) bands (ev): -18.4303 -18.4303 -18.2013 -18.2013 -17.2807 -17.2807 -17.1061 -17.1061 -6.1524 -6.1524 -6.0881 -6.0881 -4.0271 -4.0271 -3.9191 -3.9191 -3.8641 -3.8641 -2.1115 -2.1115 -1.5222 -1.5222 -0.7764 -0.7764 -0.3121 -0.3121 0.5013 0.5013 1.0000 1.0000 1.2238 1.2238 1.3605 1.3605 1.4787 1.4787 1.6163 1.6163 1.7358 1.7358 2.1295 2.1295 3.6252 3.6252 7.8004 7.8004 10.2996 10.2996 13.8056 13.8056 14.2512 14.2512 k = 0.0000 0.5000 0.2845 ( 3440 PWs) bands (ev): -18.4302 -18.4302 -18.2013 -18.2013 -17.2809 -17.2809 -17.1059 -17.1059 -6.1524 -6.1524 -6.0882 -6.0882 -4.0271 -4.0271 -3.9191 -3.9191 -3.8641 -3.8641 -2.1110 -2.1110 -1.5222 -1.5222 -0.7773 -0.7773 -0.3134 -0.3134 0.5027 0.5027 1.0000 1.0000 1.2320 1.2320 1.3530 1.3530 1.4982 1.4982 1.5957 1.5957 1.7357 1.7357 2.1295 2.1295 3.6257 3.6257 7.8011 7.8011 10.2992 10.2992 13.8055 13.8055 14.2483 14.2483 k = 0.5000 0.5000-0.0000 ( 3460 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3512 -17.3512 -17.1811 -17.1811 -6.1252 -6.1252 -6.1023 -6.1023 -4.0819 -4.0819 -3.9198 -3.9198 -3.8638 -3.8638 -3.5277 -3.5277 -0.6416 -0.6416 0.0578 0.0578 0.0855 0.0855 0.0897 0.0897 0.8317 0.8317 0.9140 0.9140 1.0561 1.0561 1.0933 1.0933 2.4065 2.4065 2.5777 2.5777 2.5950 2.5950 2.8033 2.8033 8.1672 8.1672 9.4271 9.4271 10.4743 10.4743 16.0067 16.0067 k = 0.5000 0.5000 0.0114 ( 3452 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3510 -17.3510 -17.1812 -17.1812 -6.1251 -6.1251 -6.1023 -6.1023 -4.0817 -4.0817 -3.9198 -3.9198 -3.8637 -3.8637 -3.5278 -3.5278 -0.6415 -0.6415 0.0574 0.0574 0.0843 0.0843 0.0888 0.0888 0.8211 0.8211 0.9245 0.9245 1.0582 1.0582 1.0953 1.0953 2.4065 2.4065 2.5769 2.5769 2.5941 2.5941 2.8029 2.8029 8.1673 8.1673 9.4272 9.4272 10.4754 10.4754 16.0061 16.0061 k = 0.5000 0.5000 0.0228 ( 3460 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3505 -17.3505 -17.1817 -17.1817 -6.1251 -6.1251 -6.1022 -6.1022 -4.0811 -4.0811 -3.9197 -3.9197 -3.8634 -3.8634 -3.5281 -3.5281 -0.6414 -0.6414 0.0561 0.0561 0.0807 0.0807 0.0863 0.0863 0.7977 0.7977 0.9475 0.9475 1.0645 1.0645 1.1011 1.1011 2.4065 2.4065 2.5746 2.5746 2.5915 2.5915 2.8020 2.8020 8.1677 8.1677 9.4273 9.4273 10.4787 10.4787 16.0042 16.0042 k = 0.5000 0.5000 0.0341 ( 3460 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3497 -17.3497 -17.1826 -17.1826 -6.1251 -6.1251 -6.1021 -6.1021 -4.0802 -4.0802 -3.9195 -3.9195 -3.8629 -3.8629 -3.5287 -3.5287 -0.6412 -0.6412 0.0535 0.0535 0.0749 0.0749 0.0826 0.0826 0.7702 0.7702 0.9744 0.9744 1.0748 1.0748 1.1107 1.1107 2.4065 2.4065 2.5707 2.5707 2.5871 2.5871 2.8003 2.8003 8.1683 8.1683 9.4275 9.4275 10.4842 10.4842 16.0011 16.0011 k = 0.5000 0.5000 0.0455 ( 3452 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3486 -17.3486 -17.1837 -17.1837 -6.1249 -6.1249 -6.1020 -6.1020 -4.0789 -4.0789 -3.9193 -3.9193 -3.8623 -3.8623 -3.5294 -3.5294 -0.6410 -0.6410 0.0490 0.0490 0.0670 0.0670 0.0788 0.0788 0.7412 0.7412 1.0026 1.0026 1.0890 1.0890 1.1239 1.1239 2.4064 2.4064 2.5653 2.5653 2.5810 2.5810 2.7981 2.7981 8.1691 8.1691 9.4277 9.4277 10.4918 10.4918 15.9969 15.9970 k = 0.5000 0.5000 0.0569 ( 3452 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3472 -17.3472 -17.1852 -17.1852 -6.1248 -6.1248 -6.1018 -6.1018 -4.0774 -4.0774 -3.9190 -3.9190 -3.8614 -3.8614 -3.5304 -3.5304 -0.6407 -0.6407 0.0420 0.0420 0.0572 0.0572 0.0755 0.0755 0.7118 0.7118 1.0310 1.0310 1.1067 1.1067 1.1402 1.1402 2.4064 2.4064 2.5584 2.5584 2.5733 2.5733 2.7953 2.7953 8.1702 8.1702 9.4281 9.4281 10.5013 10.5013 15.9917 15.9917 k = 0.5000 0.5000 0.0683 ( 3468 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3455 -17.3455 -17.1871 -17.1871 -6.1248 -6.1248 -6.1017 -6.1017 -4.0755 -4.0755 -3.9187 -3.9187 -3.8604 -3.8604 -3.5315 -3.5315 -0.6403 -0.6403 0.0324 0.0324 0.0459 0.0459 0.0732 0.0732 0.6824 0.6824 1.0591 1.0591 1.1275 1.1275 1.1594 1.1594 2.4063 2.4063 2.5500 2.5500 2.5638 2.5638 2.7920 2.7920 8.1714 8.1714 9.4285 9.4285 10.5127 10.5127 15.9855 15.9862 k = 0.5000 0.5000 0.0797 ( 3464 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3435 -17.3435 -17.1892 -17.1892 -6.1246 -6.1246 -6.1015 -6.1015 -4.0734 -4.0734 -3.9183 -3.9183 -3.8592 -3.8592 -3.5328 -3.5328 -0.6399 -0.6399 0.0208 0.0208 0.0334 0.0334 0.0716 0.0716 0.6535 0.6535 1.0869 1.0869 1.1511 1.1511 1.1812 1.1812 2.4062 2.4062 2.5403 2.5403 2.5528 2.5528 2.7882 2.7882 8.1728 8.1728 9.4289 9.4289 10.5258 10.5258 15.9785 15.9785 k = 0.5000 0.5000 0.0910 ( 3452 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3411 -17.3411 -17.1916 -17.1916 -6.1243 -6.1243 -6.1012 -6.1012 -4.0710 -4.0710 -3.9177 -3.9177 -3.8578 -3.8578 -3.5343 -3.5343 -0.6394 -0.6394 0.0077 0.0077 0.0199 0.0199 0.0706 0.0706 0.6252 0.6252 1.1139 1.1139 1.1771 1.1771 1.2051 1.2051 2.4060 2.4060 2.5293 2.5293 2.5404 2.5404 2.7840 2.7840 8.1744 8.1744 9.4294 9.4294 10.5404 10.5404 15.9709 15.9710 k = 0.5000 0.5000 0.1024 ( 3452 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3386 -17.3386 -17.1943 -17.1943 -6.1242 -6.1242 -6.1010 -6.1010 -4.0684 -4.0684 -3.9173 -3.9173 -3.8563 -3.8563 -3.5360 -3.5360 -0.6389 -0.6389 -0.0064 -0.0064 0.0057 0.0057 0.0700 0.0700 0.5976 0.5976 1.1401 1.1401 1.2051 1.2051 1.2307 1.2307 2.4058 2.4058 2.5171 2.5171 2.5264 2.5264 2.7795 2.7795 8.1760 8.1760 9.4300 9.4300 10.5563 10.5563 15.9626 15.9626 k = 0.5000 0.5000 0.1138 ( 3456 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3357 -17.3357 -17.1973 -17.1973 -6.1240 -6.1240 -6.1007 -6.1007 -4.0656 -4.0656 -3.9167 -3.9167 -3.8547 -3.8547 -3.5378 -3.5378 -0.6384 -0.6384 -0.0210 -0.0210 -0.0088 -0.0088 0.0695 0.0695 0.5709 0.5709 1.1654 1.1654 1.2347 1.2347 1.2578 1.2578 2.4056 2.4056 2.5038 2.5038 2.5112 2.5112 2.7747 2.7747 8.1778 8.1778 9.4305 9.4305 10.5732 10.5732 15.9540 15.9567 k = 0.5000 0.5000 0.1252 ( 3448 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3326 -17.3326 -17.2006 -17.2006 -6.1237 -6.1237 -6.1004 -6.1004 -4.0628 -4.0628 -3.9162 -3.9162 -3.8529 -3.8529 -3.5397 -3.5397 -0.6378 -0.6378 -0.0358 -0.0358 -0.0235 -0.0235 0.0692 0.0692 0.5453 0.5453 1.1896 1.1896 1.2656 1.2656 1.2859 1.2859 2.4052 2.4052 2.4896 2.4896 2.4947 2.4947 2.7697 2.7697 8.1796 8.1796 9.4311 9.4311 10.5910 10.5910 15.9451 15.9456 k = 0.5000 0.5000 0.1366 ( 3448 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3292 -17.3292 -17.2041 -17.2041 -6.1235 -6.1235 -6.1001 -6.1001 -4.0598 -4.0598 -3.9156 -3.9156 -3.8510 -3.8510 -3.5417 -3.5417 -0.6372 -0.6372 -0.0506 -0.0506 -0.0380 -0.0380 0.0689 0.0689 0.5209 0.5209 1.2126 1.2126 1.2974 1.2974 1.3149 1.3149 2.4046 2.4046 2.4747 2.4747 2.4772 2.4772 2.7646 2.7646 8.1814 8.1814 9.4317 9.4317 10.6093 10.6093 15.9361 15.9361 k = 0.5000 0.5000 0.1479 ( 3432 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3256 -17.3256 -17.2078 -17.2078 -6.1233 -6.1233 -6.0998 -6.0998 -4.0569 -4.0569 -3.9150 -3.9150 -3.8491 -3.8491 -3.5437 -3.5437 -0.6366 -0.6366 -0.0650 -0.0650 -0.0522 -0.0522 0.0687 0.0687 0.4978 0.4978 1.2343 1.2343 1.3298 1.3298 1.3442 1.3442 2.4037 2.4037 2.4588 2.4588 2.4594 2.4594 2.7595 2.7595 8.1832 8.1832 9.4324 9.4324 10.6279 10.6279 15.9271 15.9271 k = 0.5000 0.5000 0.1593 ( 3432 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3218 -17.3218 -17.2118 -17.2118 -6.1230 -6.1230 -6.0995 -6.0995 -4.0540 -4.0540 -3.9145 -3.9145 -3.8471 -3.8471 -3.5458 -3.5458 -0.6360 -0.6360 -0.0790 -0.0790 -0.0659 -0.0659 0.0686 0.0686 0.4761 0.4761 1.2545 1.2545 1.3623 1.3623 1.3737 1.3737 2.4020 2.4020 2.4396 2.4396 2.4442 2.4442 2.7544 2.7544 8.1850 8.1850 9.4330 9.4330 10.6465 10.6465 15.9183 15.9183 k = 0.5000 0.5000 0.1707 ( 3432 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3178 -17.3178 -17.2159 -17.2159 -6.1228 -6.1228 -6.0992 -6.0992 -4.0511 -4.0511 -3.9139 -3.9139 -3.8452 -3.8452 -3.5479 -3.5479 -0.6355 -0.6355 -0.0922 -0.0922 -0.0789 -0.0789 0.0685 0.0685 0.4559 0.4559 1.2732 1.2732 1.3945 1.3945 1.4028 1.4028 2.3985 2.3985 2.4199 2.4199 2.4305 2.4305 2.7494 2.7494 8.1868 8.1868 9.4336 9.4336 10.6647 10.6647 15.9098 15.9100 k = 0.5000 0.5000 0.1821 ( 3424 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3136 -17.3136 -17.2202 -17.2202 -6.1226 -6.1226 -6.0989 -6.0989 -4.0484 -4.0484 -3.9134 -3.9134 -3.8432 -3.8432 -3.5499 -3.5499 -0.6349 -0.6349 -0.1046 -0.1046 -0.0910 -0.0910 0.0684 0.0684 0.4373 0.4373 1.2904 1.2904 1.4262 1.4262 1.4313 1.4313 2.3912 2.3912 2.4001 2.4001 2.4205 2.4205 2.7447 2.7447 8.1884 8.1884 9.4342 9.4342 10.6823 10.6823 15.9017 15.9017 k = 0.5000 0.5000 0.1934 ( 3424 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3093 -17.3093 -17.2246 -17.2246 -6.1224 -6.1224 -6.0986 -6.0986 -4.0458 -4.0458 -3.9129 -3.9129 -3.8413 -3.8413 -3.5519 -3.5519 -0.6344 -0.6344 -0.1160 -0.1160 -0.1023 -0.1023 0.0683 0.0683 0.4205 0.4205 1.3059 1.3059 1.4568 1.4568 1.4588 1.4588 2.3794 2.3794 2.3803 2.3803 2.4152 2.4152 2.7402 2.7402 8.1900 8.1900 9.4347 9.4347 10.6990 10.6990 15.8942 15.8942 k = 0.5000 0.5000 0.2048 ( 3416 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3048 -17.3048 -17.2292 -17.2292 -6.1222 -6.1222 -6.0984 -6.0984 -4.0435 -4.0435 -3.9124 -3.9124 -3.8395 -3.8395 -3.5538 -3.5538 -0.6339 -0.6339 -0.1262 -0.1262 -0.1124 -0.1124 0.0683 0.0683 0.4053 0.4053 1.3198 1.3198 1.4847 1.4847 1.4858 1.4858 2.3610 2.3610 2.3653 2.3653 2.4128 2.4128 2.7361 2.7361 8.1914 8.1914 9.4352 9.4352 10.7145 10.7145 15.8873 15.8874 k = 0.5000 0.5000 0.2162 ( 3416 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.3003 -17.3003 -17.2338 -17.2338 -6.1221 -6.1221 -6.0982 -6.0982 -4.0413 -4.0413 -3.9120 -3.9120 -3.8378 -3.8378 -3.5555 -3.5555 -0.6335 -0.6335 -0.1353 -0.1353 -0.1214 -0.1214 0.0682 0.0682 0.3921 0.3921 1.3318 1.3318 1.5086 1.5086 1.5128 1.5128 2.3426 2.3426 2.3508 2.3508 2.4115 2.4115 2.7324 2.7324 8.1927 8.1927 9.4357 9.4357 10.7286 10.7286 15.8811 15.8812 k = 0.5000 0.5000 0.2276 ( 3408 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2958 -17.2958 -17.2384 -17.2384 -6.1219 -6.1219 -6.0980 -6.0980 -4.0395 -4.0395 -3.9116 -3.9116 -3.8363 -3.8363 -3.5570 -3.5570 -0.6331 -0.6331 -0.1432 -0.1432 -0.1291 -0.1291 0.0682 0.0682 0.3808 0.3808 1.3421 1.3421 1.5301 1.5301 1.5372 1.5372 2.3255 2.3255 2.3371 2.3371 2.4108 2.4108 2.7292 2.7292 8.1938 8.1938 9.4361 9.4361 10.7409 10.7409 15.8757 15.8758 k = 0.5000 0.5000 0.2390 ( 3404 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2913 -17.2913 -17.2430 -17.2430 -6.1218 -6.1218 -6.0978 -6.0978 -4.0379 -4.0379 -3.9113 -3.9113 -3.8350 -3.8350 -3.5583 -3.5583 -0.6328 -0.6328 -0.1497 -0.1497 -0.1355 -0.1355 0.0682 0.0682 0.3715 0.3715 1.3505 1.3505 1.5487 1.5487 1.5584 1.5584 2.3105 2.3105 2.3249 2.3249 2.4104 2.4104 2.7265 2.7265 8.1947 8.1947 9.4364 9.4364 10.7514 10.7514 15.8713 15.8713 k = 0.5000 0.5000 0.2503 ( 3412 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2870 -17.2870 -17.2473 -17.2473 -6.1217 -6.1217 -6.0977 -6.0977 -4.0367 -4.0367 -3.9111 -3.9111 -3.8340 -3.8340 -3.5594 -3.5594 -0.6325 -0.6325 -0.1548 -0.1548 -0.1405 -0.1405 0.0682 0.0682 0.3642 0.3642 1.3571 1.3571 1.5638 1.5638 1.5758 1.5758 2.2979 2.2979 2.3148 2.3148 2.4101 2.4101 2.7243 2.7243 8.1954 8.1954 9.4367 9.4367 10.7597 10.7597 15.8677 15.8677 k = 0.5000 0.5000 0.2617 ( 3412 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2832 -17.2832 -17.2512 -17.2512 -6.1217 -6.1217 -6.0976 -6.0976 -4.0358 -4.0358 -3.9109 -3.9109 -3.8332 -3.8332 -3.5601 -3.5601 -0.6323 -0.6323 -0.1584 -0.1584 -0.1442 -0.1442 0.0681 0.0681 0.3589 0.3589 1.3618 1.3618 1.5749 1.5749 1.5887 1.5887 2.2885 2.2885 2.3071 2.3071 2.4099 2.4099 2.7227 2.7227 8.1959 8.1959 9.4369 9.4369 10.7657 10.7657 15.8652 15.8652 k = 0.5000 0.5000 0.2731 ( 3412 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2804 -17.2804 -17.2540 -17.2540 -6.1216 -6.1216 -6.0976 -6.0976 -4.0353 -4.0353 -3.9108 -3.9108 -3.8328 -3.8328 -3.5606 -3.5606 -0.6322 -0.6322 -0.1607 -0.1607 -0.1464 -0.1464 0.0681 0.0681 0.3558 0.3558 1.3647 1.3647 1.5818 1.5818 1.5966 1.5966 2.2826 2.2826 2.3024 2.3024 2.4098 2.4098 2.7218 2.7218 8.1963 8.1963 9.4370 9.4370 10.7694 10.7694 15.8637 15.8637 k = 0.5000 0.5000 0.2845 ( 3408 PWs) bands (ev): -18.1771 -18.1771 -18.1758 -18.1758 -17.2793 -17.2793 -17.2552 -17.2552 -6.1216 -6.1216 -6.0975 -6.0975 -4.0351 -4.0351 -3.9108 -3.9108 -3.8326 -3.8326 -3.5608 -3.5608 -0.6322 -0.6322 -0.1614 -0.1614 -0.1471 -0.1471 0.0682 0.0682 0.3547 0.3547 1.3656 1.3656 1.5841 1.5841 1.5993 1.5993 2.2806 2.2806 2.3007 2.3007 2.4098 2.4098 2.7215 2.7215 8.1964 8.1964 9.4370 9.4370 10.7706 10.7706 15.8631 15.8631 Writing output data file AlTlF4.save init_run : 0.22s CPU 0.35s WALL ( 1 calls) electrons : 130.64s CPU 133.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 130.63s CPU 133.09s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 382 calls) cegterg : 118.26s CPU 120.11s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 52.84s CPU 54.12s WALL ( 10159 calls) s_psi : 3.86s CPU 3.99s WALL ( 10159 calls) g_psi : 0.24s CPU 0.21s WALL ( 9178 calls) cdiaghg : 53.99s CPU 54.82s WALL ( 9560 calls) cegterg:over : 5.25s CPU 5.11s WALL ( 9178 calls) cegterg:upda : 3.84s CPU 3.83s WALL ( 9178 calls) cegterg:last : 2.69s CPU 2.60s WALL ( 1363 calls) cdiaghg:chol : 2.90s CPU 2.92s WALL ( 9560 calls) cdiaghg:inve : 1.85s CPU 1.88s WALL ( 9560 calls) cdiaghg:para : 3.11s CPU 3.19s WALL ( 19120 calls) Called by h_psi: h_psi:vloc : 43.35s CPU 44.62s WALL ( 10159 calls) h_psi:vnl : 9.26s CPU 9.29s WALL ( 10159 calls) add_vuspsi : 4.56s CPU 4.47s WALL ( 10159 calls) General routines calbec : 4.68s CPU 4.80s WALL ( 10159 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.34s CPU 41.62s WALL ( 825504 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 764 calls) Parallel routines fft_scatter : 21.03s CPU 21.66s WALL ( 825527 calls) PWSCF : 2m27.41s CPU 2m43.32s WALL This run was terminated on: 19:26:11 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=