Program PWSCF v.5.1.1 starts on 19Jul2015 at 22:45: 6 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ZrO2.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 14 4 974 419 70 Max 26 15 5 984 445 77 Sum 1225 709 221 46833 20671 3485 bravais-lattice index = 14 lattice parameter (alat) = 6.8863 a.u. unit-cell volume = 475.0802 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.886328 celldm(2)= 1.000000 celldm(3)= 1.454802 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 1.454802 ) 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 0.687379 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 12.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7274009 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7274009 ) 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 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7274009 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7274009 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7274009 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7274009 ) 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 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7274009 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7274009 ) 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: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 Cartesian axes number of k points= 397 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0025189 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0025189 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0025189 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0025189 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0025189 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0025189 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0025189 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0025189 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0025189 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0025189 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0025189 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0025189 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0025189 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0025189 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0025189 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0025189 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0025189 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0025189 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0025189 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0025189 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0025189 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025189 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0025189 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0025189 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0025189 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0025189 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0025189 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0025189 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0025189 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0025189 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0025189 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0025189 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025189 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0025189 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0025189 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0025189 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0025189 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0025189 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0025189 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0025189 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0025189 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0025189 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0025189 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0025189 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0025189 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0025189 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0025189 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0025189 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0025189 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0025189 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0025189 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0025189 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0025189 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0025189 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 92) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0025189 k( 93) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0025189 k( 94) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0025189 k( 95) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0025189 k( 96) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0025189 k( 97) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0025189 k( 98) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0025189 k( 99) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0025189 k( 100) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0025189 k( 101) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0025189 k( 102) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0025189 k( 103) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0025189 k( 104) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0025189 k( 105) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0025189 k( 106) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0025189 k( 107) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0025189 k( 108) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0025189 k( 109) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0025189 k( 110) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0025189 k( 111) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0025189 k( 112) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0025189 k( 113) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0025189 k( 114) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025189 k( 115) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0025189 k( 116) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0025189 k( 117) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0025189 k( 118) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0025189 k( 119) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0025189 k( 120) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0025189 k( 121) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0025189 k( 122) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0025189 k( 123) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0025189 k( 124) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0025189 k( 125) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0025189 k( 126) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0025189 k( 127) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0025189 k( 128) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025189 k( 129) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0025189 k( 130) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0025189 k( 131) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0025189 k( 132) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0025189 k( 133) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0025189 k( 134) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0025189 k( 135) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0025189 k( 136) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0025189 k( 137) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0025189 k( 138) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0025189 k( 139) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0025189 k( 140) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0025189 k( 141) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0025189 k( 142) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0025189 k( 143) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0025189 k( 144) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0025189 k( 145) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0025189 k( 146) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0025189 k( 147) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0025189 k( 148) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0025189 k( 149) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0025189 k( 150) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0025189 k( 151) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0025189 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 154) = ( 0.0000000 0.0000000 0.0114563), wk = 0.0025189 k( 155) = ( 0.0000000 0.0000000 0.0229126), wk = 0.0025189 k( 156) = ( 0.0000000 0.0000000 0.0343689), wk = 0.0025189 k( 157) = ( 0.0000000 0.0000000 0.0458253), wk = 0.0025189 k( 158) = ( 0.0000000 0.0000000 0.0572816), wk = 0.0025189 k( 159) = ( 0.0000000 0.0000000 0.0687379), wk = 0.0025189 k( 160) = ( 0.0000000 0.0000000 0.0801942), wk = 0.0025189 k( 161) = ( 0.0000000 0.0000000 0.0916505), wk = 0.0025189 k( 162) = ( 0.0000000 0.0000000 0.1031068), wk = 0.0025189 k( 163) = ( 0.0000000 0.0000000 0.1145631), wk = 0.0025189 k( 164) = ( 0.0000000 0.0000000 0.1260194), wk = 0.0025189 k( 165) = ( 0.0000000 0.0000000 0.1374758), wk = 0.0025189 k( 166) = ( 0.0000000 0.0000000 0.1489321), wk = 0.0025189 k( 167) = ( 0.0000000 0.0000000 0.1603884), wk = 0.0025189 k( 168) = ( 0.0000000 0.0000000 0.1718447), wk = 0.0025189 k( 169) = ( 0.0000000 0.0000000 0.1833010), wk = 0.0025189 k( 170) = ( 0.0000000 0.0000000 0.1947573), wk = 0.0025189 k( 171) = ( 0.0000000 0.0000000 0.2062136), wk = 0.0025189 k( 172) = ( 0.0000000 0.0000000 0.2176700), wk = 0.0025189 k( 173) = ( 0.0000000 0.0000000 0.2291263), wk = 0.0025189 k( 174) = ( 0.0000000 0.0000000 0.2405826), wk = 0.0025189 k( 175) = ( 0.0000000 0.0000000 0.2520389), wk = 0.0025189 k( 176) = ( 0.0000000 0.0000000 0.2634952), wk = 0.0025189 k( 177) = ( 0.0000000 0.0000000 0.2749515), wk = 0.0025189 k( 178) = ( 0.0000000 0.0000000 0.2864078), wk = 0.0025189 k( 179) = ( 0.0000000 0.0000000 0.2978642), wk = 0.0025189 k( 180) = ( 0.0000000 0.0000000 0.3093205), wk = 0.0025189 k( 181) = ( 0.0000000 0.0000000 0.3207768), wk = 0.0025189 k( 182) = ( 0.0000000 0.0000000 0.3322331), wk = 0.0025189 k( 183) = ( 0.0000000 0.0000000 0.3436894), wk = 0.0025189 k( 184) = ( 0.0000000 0.0000000 0.3436894), wk = 0.0025189 k( 185) = ( 0.0000000 0.0113636 0.3436894), wk = 0.0025189 k( 186) = ( 0.0000000 0.0227273 0.3436894), wk = 0.0025189 k( 187) = ( 0.0000000 0.0340909 0.3436894), wk = 0.0025189 k( 188) = ( 0.0000000 0.0454546 0.3436894), wk = 0.0025189 k( 189) = ( 0.0000000 0.0568182 0.3436894), wk = 0.0025189 k( 190) = ( 0.0000000 0.0681818 0.3436894), wk = 0.0025189 k( 191) = ( 0.0000000 0.0795455 0.3436894), wk = 0.0025189 k( 192) = ( 0.0000000 0.0909091 0.3436894), wk = 0.0025189 k( 193) = ( 0.0000000 0.1022727 0.3436894), wk = 0.0025189 k( 194) = ( 0.0000000 0.1136364 0.3436894), wk = 0.0025189 k( 195) = ( 0.0000000 0.1250000 0.3436894), wk = 0.0025189 k( 196) = ( 0.0000000 0.1363636 0.3436894), wk = 0.0025189 k( 197) = ( 0.0000000 0.1477273 0.3436894), wk = 0.0025189 k( 198) = ( 0.0000000 0.1590909 0.3436894), wk = 0.0025189 k( 199) = ( 0.0000000 0.1704546 0.3436894), wk = 0.0025189 k( 200) = ( 0.0000000 0.1818182 0.3436894), wk = 0.0025189 k( 201) = ( 0.0000000 0.1931818 0.3436894), wk = 0.0025189 k( 202) = ( 0.0000000 0.2045454 0.3436894), wk = 0.0025189 k( 203) = ( 0.0000000 0.2159091 0.3436894), wk = 0.0025189 k( 204) = ( 0.0000000 0.2272727 0.3436894), wk = 0.0025189 k( 205) = ( 0.0000000 0.2386364 0.3436894), wk = 0.0025189 k( 206) = ( 0.0000000 0.2500000 0.3436894), wk = 0.0025189 k( 207) = ( 0.0000000 0.2613636 0.3436894), wk = 0.0025189 k( 208) = ( 0.0000000 0.2727273 0.3436894), wk = 0.0025189 k( 209) = ( 0.0000000 0.2840909 0.3436894), wk = 0.0025189 k( 210) = ( 0.0000000 0.2954545 0.3436894), wk = 0.0025189 k( 211) = ( 0.0000000 0.3068182 0.3436894), wk = 0.0025189 k( 212) = ( 0.0000000 0.3181818 0.3436894), wk = 0.0025189 k( 213) = ( 0.0000000 0.3295455 0.3436894), wk = 0.0025189 k( 214) = ( 0.0000000 0.3409091 0.3436894), wk = 0.0025189 k( 215) = ( 0.0000000 0.3522727 0.3436894), wk = 0.0025189 k( 216) = ( 0.0000000 0.3636364 0.3436894), wk = 0.0025189 k( 217) = ( 0.0000000 0.3750000 0.3436894), wk = 0.0025189 k( 218) = ( 0.0000000 0.3863636 0.3436894), wk = 0.0025189 k( 219) = ( 0.0000000 0.3977273 0.3436894), wk = 0.0025189 k( 220) = ( 0.0000000 0.4090909 0.3436894), wk = 0.0025189 k( 221) = ( 0.0000000 0.4204545 0.3436894), wk = 0.0025189 k( 222) = ( 0.0000000 0.4318182 0.3436894), wk = 0.0025189 k( 223) = ( 0.0000000 0.4431818 0.3436894), wk = 0.0025189 k( 224) = ( 0.0000000 0.4545455 0.3436894), wk = 0.0025189 k( 225) = ( 0.0000000 0.4659091 0.3436894), wk = 0.0025189 k( 226) = ( 0.0000000 0.4772727 0.3436894), wk = 0.0025189 k( 227) = ( 0.0000000 0.4886364 0.3436894), wk = 0.0025189 k( 228) = ( 0.0000000 0.5000000 0.3436894), wk = 0.0025189 k( 229) = ( 0.0000000 0.5000000 0.3436894), wk = 0.0025189 k( 230) = ( 0.0113636 0.5000000 0.3436894), wk = 0.0025189 k( 231) = ( 0.0227273 0.5000000 0.3436894), wk = 0.0025189 k( 232) = ( 0.0340909 0.5000000 0.3436894), wk = 0.0025189 k( 233) = ( 0.0454546 0.5000000 0.3436894), wk = 0.0025189 k( 234) = ( 0.0568182 0.5000000 0.3436894), wk = 0.0025189 k( 235) = ( 0.0681818 0.5000000 0.3436894), wk = 0.0025189 k( 236) = ( 0.0795455 0.5000000 0.3436894), wk = 0.0025189 k( 237) = ( 0.0909091 0.5000000 0.3436894), wk = 0.0025189 k( 238) = ( 0.1022727 0.5000000 0.3436894), wk = 0.0025189 k( 239) = ( 0.1136364 0.5000000 0.3436894), wk = 0.0025189 k( 240) = ( 0.1250000 0.5000000 0.3436894), wk = 0.0025189 k( 241) = ( 0.1363636 0.5000000 0.3436894), wk = 0.0025189 k( 242) = ( 0.1477273 0.5000000 0.3436894), wk = 0.0025189 k( 243) = ( 0.1590909 0.5000000 0.3436894), wk = 0.0025189 k( 244) = ( 0.1704546 0.5000000 0.3436894), wk = 0.0025189 k( 245) = ( 0.1818182 0.5000000 0.3436894), wk = 0.0025189 k( 246) = ( 0.1931818 0.5000000 0.3436894), wk = 0.0025189 k( 247) = ( 0.2045454 0.5000000 0.3436894), wk = 0.0025189 k( 248) = ( 0.2159091 0.5000000 0.3436894), wk = 0.0025189 k( 249) = ( 0.2272727 0.5000000 0.3436894), wk = 0.0025189 k( 250) = ( 0.2386364 0.5000000 0.3436894), wk = 0.0025189 k( 251) = ( 0.2500000 0.5000000 0.3436894), wk = 0.0025189 k( 252) = ( 0.2613636 0.5000000 0.3436894), wk = 0.0025189 k( 253) = ( 0.2727273 0.5000000 0.3436894), wk = 0.0025189 k( 254) = ( 0.2840909 0.5000000 0.3436894), wk = 0.0025189 k( 255) = ( 0.2954545 0.5000000 0.3436894), wk = 0.0025189 k( 256) = ( 0.3068182 0.5000000 0.3436894), wk = 0.0025189 k( 257) = ( 0.3181818 0.5000000 0.3436894), wk = 0.0025189 k( 258) = ( 0.3295455 0.5000000 0.3436894), wk = 0.0025189 k( 259) = ( 0.3409091 0.5000000 0.3436894), wk = 0.0025189 k( 260) = ( 0.3522727 0.5000000 0.3436894), wk = 0.0025189 k( 261) = ( 0.3636364 0.5000000 0.3436894), wk = 0.0025189 k( 262) = ( 0.3750000 0.5000000 0.3436894), wk = 0.0025189 k( 263) = ( 0.3863636 0.5000000 0.3436894), wk = 0.0025189 k( 264) = ( 0.3977273 0.5000000 0.3436894), wk = 0.0025189 k( 265) = ( 0.4090909 0.5000000 0.3436894), wk = 0.0025189 k( 266) = ( 0.4204545 0.5000000 0.3436894), wk = 0.0025189 k( 267) = ( 0.4318182 0.5000000 0.3436894), wk = 0.0025189 k( 268) = ( 0.4431818 0.5000000 0.3436894), wk = 0.0025189 k( 269) = ( 0.4545455 0.5000000 0.3436894), wk = 0.0025189 k( 270) = ( 0.4659091 0.5000000 0.3436894), wk = 0.0025189 k( 271) = ( 0.4772727 0.5000000 0.3436894), wk = 0.0025189 k( 272) = ( 0.4886364 0.5000000 0.3436894), wk = 0.0025189 k( 273) = ( 0.5000000 0.5000000 0.3436894), wk = 0.0025189 k( 274) = ( 0.5000000 0.5000000 0.3436894), wk = 0.0025189 k( 275) = ( 0.4918033 0.4918033 0.3436894), wk = 0.0025189 k( 276) = ( 0.4836066 0.4836066 0.3436894), wk = 0.0025189 k( 277) = ( 0.4754098 0.4754098 0.3436894), wk = 0.0025189 k( 278) = ( 0.4672131 0.4672131 0.3436894), wk = 0.0025189 k( 279) = ( 0.4590164 0.4590164 0.3436894), wk = 0.0025189 k( 280) = ( 0.4508197 0.4508197 0.3436894), wk = 0.0025189 k( 281) = ( 0.4426230 0.4426229 0.3436894), wk = 0.0025189 k( 282) = ( 0.4344262 0.4344262 0.3436894), wk = 0.0025189 k( 283) = ( 0.4262295 0.4262295 0.3436894), wk = 0.0025189 k( 284) = ( 0.4180328 0.4180328 0.3436894), wk = 0.0025189 k( 285) = ( 0.4098361 0.4098361 0.3436894), wk = 0.0025189 k( 286) = ( 0.4016393 0.4016393 0.3436894), wk = 0.0025189 k( 287) = ( 0.3934426 0.3934426 0.3436894), wk = 0.0025189 k( 288) = ( 0.3852459 0.3852459 0.3436894), wk = 0.0025189 k( 289) = ( 0.3770492 0.3770492 0.3436894), wk = 0.0025189 k( 290) = ( 0.3688525 0.3688525 0.3436894), wk = 0.0025189 k( 291) = ( 0.3606557 0.3606557 0.3436894), wk = 0.0025189 k( 292) = ( 0.3524590 0.3524590 0.3436894), wk = 0.0025189 k( 293) = ( 0.3442623 0.3442623 0.3436894), wk = 0.0025189 k( 294) = ( 0.3360656 0.3360656 0.3436894), wk = 0.0025189 k( 295) = ( 0.3278688 0.3278688 0.3436894), wk = 0.0025189 k( 296) = ( 0.3196721 0.3196721 0.3436894), wk = 0.0025189 k( 297) = ( 0.3114754 0.3114754 0.3436894), wk = 0.0025189 k( 298) = ( 0.3032787 0.3032787 0.3436894), wk = 0.0025189 k( 299) = ( 0.2950820 0.2950820 0.3436894), wk = 0.0025189 k( 300) = ( 0.2868852 0.2868852 0.3436894), wk = 0.0025189 k( 301) = ( 0.2786885 0.2786885 0.3436894), wk = 0.0025189 k( 302) = ( 0.2704918 0.2704918 0.3436894), wk = 0.0025189 k( 303) = ( 0.2622951 0.2622951 0.3436894), wk = 0.0025189 k( 304) = ( 0.2540984 0.2540984 0.3436894), wk = 0.0025189 k( 305) = ( 0.2459016 0.2459016 0.3436894), wk = 0.0025189 k( 306) = ( 0.2377049 0.2377049 0.3436894), wk = 0.0025189 k( 307) = ( 0.2295082 0.2295082 0.3436894), wk = 0.0025189 k( 308) = ( 0.2213115 0.2213115 0.3436894), wk = 0.0025189 k( 309) = ( 0.2131147 0.2131147 0.3436894), wk = 0.0025189 k( 310) = ( 0.2049180 0.2049180 0.3436894), wk = 0.0025189 k( 311) = ( 0.1967213 0.1967213 0.3436894), wk = 0.0025189 k( 312) = ( 0.1885246 0.1885246 0.3436894), wk = 0.0025189 k( 313) = ( 0.1803279 0.1803279 0.3436894), wk = 0.0025189 k( 314) = ( 0.1721312 0.1721311 0.3436894), wk = 0.0025189 k( 315) = ( 0.1639344 0.1639344 0.3436894), wk = 0.0025189 k( 316) = ( 0.1557377 0.1557377 0.3436894), wk = 0.0025189 k( 317) = ( 0.1475410 0.1475410 0.3436894), wk = 0.0025189 k( 318) = ( 0.1393443 0.1393443 0.3436894), wk = 0.0025189 k( 319) = ( 0.1311475 0.1311475 0.3436894), wk = 0.0025189 k( 320) = ( 0.1229508 0.1229508 0.3436894), wk = 0.0025189 k( 321) = ( 0.1147541 0.1147541 0.3436894), wk = 0.0025189 k( 322) = ( 0.1065574 0.1065574 0.3436894), wk = 0.0025189 k( 323) = ( 0.0983607 0.0983607 0.3436894), wk = 0.0025189 k( 324) = ( 0.0901639 0.0901639 0.3436894), wk = 0.0025189 k( 325) = ( 0.0819672 0.0819672 0.3436894), wk = 0.0025189 k( 326) = ( 0.0737705 0.0737705 0.3436894), wk = 0.0025189 k( 327) = ( 0.0655738 0.0655738 0.3436894), wk = 0.0025189 k( 328) = ( 0.0573770 0.0573770 0.3436894), wk = 0.0025189 k( 329) = ( 0.0491803 0.0491803 0.3436894), wk = 0.0025189 k( 330) = ( 0.0409836 0.0409836 0.3436894), wk = 0.0025189 k( 331) = ( 0.0327869 0.0327869 0.3436894), wk = 0.0025189 k( 332) = ( 0.0245902 0.0245902 0.3436894), wk = 0.0025189 k( 333) = ( 0.0163934 0.0163934 0.3436894), wk = 0.0025189 k( 334) = ( 0.0081967 0.0081967 0.3436894), wk = 0.0025189 k( 335) = ( 0.0000000 0.0000000 0.3436894), wk = 0.0025189 k( 336) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025189 k( 337) = ( 0.0000000 0.5000000 0.0114563), wk = 0.0025189 k( 338) = ( 0.0000000 0.5000000 0.0229126), wk = 0.0025189 k( 339) = ( 0.0000000 0.5000000 0.0343689), wk = 0.0025189 k( 340) = ( 0.0000000 0.5000000 0.0458253), wk = 0.0025189 k( 341) = ( 0.0000000 0.5000000 0.0572816), wk = 0.0025189 k( 342) = ( 0.0000000 0.5000000 0.0687379), wk = 0.0025189 k( 343) = ( 0.0000000 0.5000000 0.0801942), wk = 0.0025189 k( 344) = ( 0.0000000 0.5000000 0.0916505), wk = 0.0025189 k( 345) = ( 0.0000000 0.5000000 0.1031068), wk = 0.0025189 k( 346) = ( 0.0000000 0.5000000 0.1145631), wk = 0.0025189 k( 347) = ( 0.0000000 0.5000000 0.1260194), wk = 0.0025189 k( 348) = ( 0.0000000 0.5000000 0.1374758), wk = 0.0025189 k( 349) = ( 0.0000000 0.5000000 0.1489321), wk = 0.0025189 k( 350) = ( 0.0000000 0.5000000 0.1603884), wk = 0.0025189 k( 351) = ( 0.0000000 0.5000000 0.1718447), wk = 0.0025189 k( 352) = ( 0.0000000 0.5000000 0.1833010), wk = 0.0025189 k( 353) = ( 0.0000000 0.5000000 0.1947573), wk = 0.0025189 k( 354) = ( 0.0000000 0.5000000 0.2062136), wk = 0.0025189 k( 355) = ( 0.0000000 0.5000000 0.2176700), wk = 0.0025189 k( 356) = ( 0.0000000 0.5000000 0.2291263), wk = 0.0025189 k( 357) = ( 0.0000000 0.5000000 0.2405826), wk = 0.0025189 k( 358) = ( 0.0000000 0.5000000 0.2520389), wk = 0.0025189 k( 359) = ( 0.0000000 0.5000000 0.2634952), wk = 0.0025189 k( 360) = ( 0.0000000 0.5000000 0.2749515), wk = 0.0025189 k( 361) = ( 0.0000000 0.5000000 0.2864078), wk = 0.0025189 k( 362) = ( 0.0000000 0.5000000 0.2978642), wk = 0.0025189 k( 363) = ( 0.0000000 0.5000000 0.3093205), wk = 0.0025189 k( 364) = ( 0.0000000 0.5000000 0.3207768), wk = 0.0025189 k( 365) = ( 0.0000000 0.5000000 0.3322331), wk = 0.0025189 k( 366) = ( 0.0000000 0.5000000 0.3436894), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.0114563), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.0229126), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.0343689), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.0458253), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.0572816), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.0687379), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.0801942), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.0916505), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.1031068), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.1145631), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.1260194), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.1374758), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.1489321), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.1603884), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.1718447), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.1833010), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.1947573), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.2062136), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.2176700), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.2291263), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.2405826), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.2520389), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.2634952), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.2749515), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.2864078), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.2978642), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.3093205), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.3207768), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.3322331), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.3436894), wk = 0.0025189 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0025189 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0025189 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0025189 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0025189 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0025189 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0025189 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0025189 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0025189 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0025189 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0025189 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0025189 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0025189 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0025189 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0025189 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0025189 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0025189 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0025189 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0025189 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0025189 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0025189 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0025189 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025189 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0025189 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0025189 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0025189 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0025189 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0025189 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0025189 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0025189 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0025189 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0025189 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0025189 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0025189 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0025189 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0025189 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0025189 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0025189 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0025189 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0025189 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0025189 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0025189 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0025189 k( 44) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0025189 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0025189 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0025189 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0025189 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0025189 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0025189 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0025189 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0025189 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0025189 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0025189 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0025189 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0025189 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0025189 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0025189 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0025189 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0025189 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0025189 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0025189 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0025189 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0025189 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0025189 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0025189 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025189 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0025189 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0025189 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0025189 k( 72) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0025189 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0025189 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0025189 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0025189 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0025189 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0025189 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0025189 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0025189 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0025189 k( 81) = ( 0.3977273 0.5000000 0.0000000), wk = 0.0025189 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0025189 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0025189 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0025189 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0025189 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0025189 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0025189 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0025189 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0025189 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 92) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0025189 k( 93) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0025189 k( 94) = ( 0.4754098 0.4754098 0.0000000), wk = 0.0025189 k( 95) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0025189 k( 96) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0025189 k( 97) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0025189 k( 98) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0025189 k( 99) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0025189 k( 100) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0025189 k( 101) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0025189 k( 102) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0025189 k( 103) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0025189 k( 104) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0025189 k( 105) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0025189 k( 106) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0025189 k( 107) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0025189 k( 108) = ( 0.3606557 0.3606557 0.0000000), wk = 0.0025189 k( 109) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0025189 k( 110) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0025189 k( 111) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0025189 k( 112) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0025189 k( 113) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0025189 k( 114) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0025189 k( 115) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0025189 k( 116) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0025189 k( 117) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0025189 k( 118) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0025189 k( 119) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0025189 k( 120) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0025189 k( 121) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0025189 k( 122) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0025189 k( 123) = ( 0.2377049 0.2377049 0.0000000), wk = 0.0025189 k( 124) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0025189 k( 125) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0025189 k( 126) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0025189 k( 127) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0025189 k( 128) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0025189 k( 129) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0025189 k( 130) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0025189 k( 131) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0025189 k( 132) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0025189 k( 133) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0025189 k( 134) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0025189 k( 135) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0025189 k( 136) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0025189 k( 137) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0025189 k( 138) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0025189 k( 139) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0025189 k( 140) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0025189 k( 141) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0025189 k( 142) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0025189 k( 143) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0025189 k( 144) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0025189 k( 145) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0025189 k( 146) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0025189 k( 147) = ( 0.0409836 0.0409836 0.0000000), wk = 0.0025189 k( 148) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0025189 k( 149) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0025189 k( 150) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0025189 k( 151) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0025189 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025189 k( 154) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0025189 k( 155) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0025189 k( 156) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025189 k( 157) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0025189 k( 158) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025189 k( 159) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025189 k( 160) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0025189 k( 161) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0025189 k( 162) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025189 k( 163) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025189 k( 164) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0025189 k( 165) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025189 k( 166) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0025189 k( 167) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0025189 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025189 k( 169) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0025189 k( 170) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0025189 k( 171) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025189 k( 172) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0025189 k( 173) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025189 k( 174) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025189 k( 175) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0025189 k( 176) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0025189 k( 177) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025189 k( 178) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025189 k( 179) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0025189 k( 180) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025189 k( 181) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0025189 k( 182) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0025189 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 185) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0025189 k( 186) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0025189 k( 187) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0025189 k( 188) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0025189 k( 189) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0025189 k( 190) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0025189 k( 191) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0025189 k( 192) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0025189 k( 193) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0025189 k( 194) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0025189 k( 195) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0025189 k( 196) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0025189 k( 197) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0025189 k( 198) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0025189 k( 199) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0025189 k( 200) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0025189 k( 201) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0025189 k( 202) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0025189 k( 203) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0025189 k( 204) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0025189 k( 205) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0025189 k( 206) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025189 k( 207) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0025189 k( 208) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0025189 k( 209) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0025189 k( 210) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0025189 k( 211) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0025189 k( 212) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0025189 k( 213) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0025189 k( 214) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0025189 k( 215) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0025189 k( 216) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0025189 k( 217) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0025189 k( 218) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0025189 k( 219) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0025189 k( 220) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0025189 k( 221) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0025189 k( 222) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0025189 k( 223) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0025189 k( 224) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0025189 k( 225) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0025189 k( 226) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0025189 k( 227) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0025189 k( 228) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 229) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 230) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0025189 k( 231) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0025189 k( 232) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0025189 k( 233) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0025189 k( 234) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0025189 k( 235) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0025189 k( 236) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0025189 k( 237) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0025189 k( 238) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0025189 k( 239) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0025189 k( 240) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0025189 k( 241) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0025189 k( 242) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0025189 k( 243) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0025189 k( 244) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0025189 k( 245) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0025189 k( 246) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0025189 k( 247) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0025189 k( 248) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0025189 k( 249) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0025189 k( 250) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0025189 k( 251) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025189 k( 252) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0025189 k( 253) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0025189 k( 254) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0025189 k( 255) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0025189 k( 256) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0025189 k( 257) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0025189 k( 258) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0025189 k( 259) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0025189 k( 260) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0025189 k( 261) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0025189 k( 262) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0025189 k( 263) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0025189 k( 264) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0025189 k( 265) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0025189 k( 266) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0025189 k( 267) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0025189 k( 268) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0025189 k( 269) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0025189 k( 270) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0025189 k( 271) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0025189 k( 272) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0025189 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 274) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 k( 275) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0025189 k( 276) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0025189 k( 277) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0025189 k( 278) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0025189 k( 279) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0025189 k( 280) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0025189 k( 281) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0025189 k( 282) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0025189 k( 283) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0025189 k( 284) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0025189 k( 285) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0025189 k( 286) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0025189 k( 287) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0025189 k( 288) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0025189 k( 289) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0025189 k( 290) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0025189 k( 291) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0025189 k( 292) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0025189 k( 293) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0025189 k( 294) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0025189 k( 295) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0025189 k( 296) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0025189 k( 297) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0025189 k( 298) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0025189 k( 299) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0025189 k( 300) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0025189 k( 301) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0025189 k( 302) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0025189 k( 303) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0025189 k( 304) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0025189 k( 305) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0025189 k( 306) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0025189 k( 307) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0025189 k( 308) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0025189 k( 309) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0025189 k( 310) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0025189 k( 311) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0025189 k( 312) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0025189 k( 313) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0025189 k( 314) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0025189 k( 315) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0025189 k( 316) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0025189 k( 317) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0025189 k( 318) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0025189 k( 319) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0025189 k( 320) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0025189 k( 321) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0025189 k( 322) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0025189 k( 323) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0025189 k( 324) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0025189 k( 325) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0025189 k( 326) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0025189 k( 327) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0025189 k( 328) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0025189 k( 329) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0025189 k( 330) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0025189 k( 331) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0025189 k( 332) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0025189 k( 333) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0025189 k( 334) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0025189 k( 335) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025189 k( 336) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025189 k( 337) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0025189 k( 338) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0025189 k( 339) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0025189 k( 340) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0025189 k( 341) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0025189 k( 342) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025189 k( 343) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0025189 k( 344) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0025189 k( 345) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0025189 k( 346) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025189 k( 347) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0025189 k( 348) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025189 k( 349) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0025189 k( 350) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0025189 k( 351) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025189 k( 352) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0025189 k( 353) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0025189 k( 354) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025189 k( 355) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0025189 k( 356) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025189 k( 357) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0025189 k( 358) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0025189 k( 359) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0025189 k( 360) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025189 k( 361) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0025189 k( 362) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0025189 k( 363) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0025189 k( 364) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0025189 k( 365) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0025189 k( 366) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025189 k( 367) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025189 k( 368) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0025189 k( 369) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0025189 k( 370) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0025189 k( 371) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0025189 k( 372) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0025189 k( 373) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025189 k( 374) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0025189 k( 375) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0025189 k( 376) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0025189 k( 377) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0025189 k( 378) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0025189 k( 379) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025189 k( 380) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0025189 k( 381) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0025189 k( 382) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025189 k( 383) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0025189 k( 384) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0025189 k( 385) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025189 k( 386) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0025189 k( 387) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0025189 k( 388) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0025189 k( 389) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0025189 k( 390) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0025189 k( 391) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025189 k( 392) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0025189 k( 393) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0025189 k( 394) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0025189 k( 395) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0025189 k( 396) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0025189 k( 397) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025189 Dense grid: 46833 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 20671 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 126, 58) NL pseudopotentials 0.12 Mb ( 63, 124) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 975) G-vector shells 0.00 Mb ( 500) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 126, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./ZrO2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 48.8 secs Computing kpt #: 5 total cpu time spent up to now is 51.2 secs Computing kpt #: 6 total cpu time spent up to now is 53.5 secs Computing kpt #: 7 total cpu time spent up to now is 55.8 secs Computing kpt #: 8 total cpu time spent up to now is 58.0 secs Computing kpt #: 9 total cpu time spent up to now is 60.2 secs Computing kpt #: 10 total cpu time spent up to now is 62.3 secs Computing kpt #: 11 total cpu time spent up to now is 64.4 secs Computing kpt #: 12 total cpu time spent up to now is 66.6 secs Computing kpt #: 13 total cpu time spent up to now is 68.7 secs Computing kpt #: 14 total cpu time spent up to now is 71.0 secs Computing kpt #: 15 total cpu time spent up to now is 73.5 secs Computing kpt #: 16 total cpu time spent up to now is 76.1 secs Computing kpt #: 17 total cpu time spent up to now is 79.2 secs Computing kpt #: 18 total cpu time spent up to now is 82.0 secs Computing kpt #: 19 total cpu time spent up to now is 85.3 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.4 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.5 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.5 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.5 secs Computing kpt #: 24 total cpu time spent up to now is 104.1 secs Computing kpt #: 25 total cpu time spent up to now is 106.7 secs Computing kpt #: 26 total cpu time spent up to now is 109.0 secs Computing kpt #: 27 total cpu time spent up to now is 111.4 secs Computing kpt #: 28 total cpu time spent up to now is 113.6 secs Computing kpt #: 29 total cpu time spent up to now is 115.7 secs Computing kpt #: 30 total cpu time spent up to now is 118.1 secs Computing kpt #: 31 total cpu time spent up to now is 120.2 secs Computing kpt #: 32 total cpu time spent up to now is 122.2 secs Computing kpt #: 33 total cpu time spent up to now is 124.2 secs Computing kpt #: 34 total cpu time spent up to now is 126.3 secs Computing kpt #: 35 total cpu time spent up to now is 128.5 secs Computing kpt #: 36 total cpu time spent up to now is 130.6 secs Computing kpt #: 37 total cpu time spent up to now is 132.6 secs Computing kpt #: 38 total cpu time spent up to now is 134.9 secs Computing kpt #: 39 total cpu time spent up to now is 137.1 secs Computing kpt #: 40 total cpu time spent up to now is 139.3 secs Computing kpt #: 41 total cpu time spent up to now is 141.7 secs Computing kpt #: 42 total cpu time spent up to now is 144.1 secs Computing kpt #: 43 total cpu time spent up to now is 146.3 secs Computing kpt #: 44 total cpu time spent up to now is 148.6 secs Computing kpt #: 45 total cpu time spent up to now is 150.5 secs Computing kpt #: 46 total cpu time spent up to now is 152.3 secs Computing kpt #: 47 total cpu time spent up to now is 155.1 secs Computing kpt #: 48 total cpu time spent up to now is 157.9 secs Computing kpt #: 49 total cpu time spent up to now is 160.7 secs Computing kpt #: 50 total cpu time spent up to now is 163.0 secs Computing kpt #: 51 total cpu time spent up to now is 165.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 53 total cpu time spent up to now is 172.5 secs Computing kpt #: 54 total cpu time spent up to now is 174.8 secs Computing kpt #: 55 total cpu time spent up to now is 177.1 secs Computing kpt #: 56 total cpu time spent up to now is 179.4 secs Computing kpt #: 57 total cpu time spent up to now is 181.7 secs Computing kpt #: 58 total cpu time spent up to now is 184.0 secs Computing kpt #: 59 total cpu time spent up to now is 186.3 secs Computing kpt #: 60 total cpu time spent up to now is 188.6 secs Computing kpt #: 61 total cpu time spent up to now is 190.9 secs Computing kpt #: 62 total cpu time spent up to now is 193.2 secs Computing kpt #: 63 total cpu time spent up to now is 195.4 secs Computing kpt #: 64 total cpu time spent up to now is 197.8 secs Computing kpt #: 65 total cpu time spent up to now is 200.1 secs Computing kpt #: 66 total cpu time spent up to now is 202.3 secs Computing kpt #: 67 total cpu time spent up to now is 204.6 secs Computing kpt #: 68 total cpu time spent up to now is 206.9 secs Computing kpt #: 69 total cpu time spent up to now is 209.2 secs Computing kpt #: 70 total cpu time spent up to now is 211.4 secs Computing kpt #: 71 total cpu time spent up to now is 213.7 secs Computing kpt #: 72 total cpu time spent up to now is 215.9 secs Computing kpt #: 73 total cpu time spent up to now is 218.1 secs Computing kpt #: 74 total cpu time spent up to now is 220.5 secs Computing kpt #: 75 total cpu time spent up to now is 222.8 secs Computing kpt #: 76 total cpu time spent up to now is 225.1 secs Computing kpt #: 77 total cpu time spent up to now is 227.3 secs Computing kpt #: 78 total cpu time spent up to now is 229.5 secs Computing kpt #: 79 total cpu time spent up to now is 231.8 secs Computing kpt #: 80 total cpu time spent up to now is 234.0 secs Computing kpt #: 81 total cpu time spent up to now is 236.3 secs Computing kpt #: 82 total cpu time spent up to now is 238.6 secs Computing kpt #: 83 total cpu time spent up to now is 240.7 secs Computing kpt #: 84 total cpu time spent up to now is 242.9 secs Computing kpt #: 85 total cpu time spent up to now is 245.1 secs Computing kpt #: 86 total cpu time spent up to now is 247.3 secs Computing kpt #: 87 total cpu time spent up to now is 249.5 secs Computing kpt #: 88 total cpu time spent up to now is 251.7 secs Computing kpt #: 89 total cpu time spent up to now is 253.9 secs Computing kpt #: 90 total cpu time spent up to now is 255.8 secs Computing kpt #: 91 total cpu time spent up to now is 257.8 secs Computing kpt #: 92 total cpu time spent up to now is 260.0 secs Computing kpt #: 93 total cpu time spent up to now is 262.2 secs Computing kpt #: 94 total cpu time spent up to now is 264.3 secs Computing kpt #: 95 total cpu time spent up to now is 266.4 secs Computing kpt #: 96 total cpu time spent up to now is 268.6 secs Computing kpt #: 97 total cpu time spent up to now is 270.7 secs Computing kpt #: 98 total cpu time spent up to now is 272.7 secs Computing kpt #: 99 total cpu time spent up to now is 274.7 secs Computing kpt #: 100 total cpu time spent up to now is 276.8 secs Computing kpt #: 101 total cpu time spent up to now is 278.8 secs Computing kpt #: 102 total cpu time spent up to now is 280.8 secs Computing kpt #: 103 total cpu time spent up to now is 282.7 secs Computing kpt #: 104 total cpu time spent up to now is 284.7 secs Computing kpt #: 105 total cpu time spent up to now is 286.7 secs Computing kpt #: 106 total cpu time spent up to now is 288.7 secs Computing kpt #: 107 total cpu time spent up to now is 290.7 secs Computing kpt #: 108 total cpu time spent up to now is 292.8 secs Computing kpt #: 109 total cpu time spent up to now is 294.8 secs Computing kpt #: 110 total cpu time spent up to now is 296.7 secs Computing kpt #: 111 total cpu time spent up to now is 298.7 secs Computing kpt #: 112 total cpu time spent up to now is 300.6 secs Computing kpt #: 113 total cpu time spent up to now is 302.9 secs Computing kpt #: 114 total cpu time spent up to now is 304.9 secs Computing kpt #: 115 total cpu time spent up to now is 306.9 secs Computing kpt #: 116 total cpu time spent up to now is 308.9 secs Computing kpt #: 117 total cpu time spent up to now is 311.0 secs Computing kpt #: 118 total cpu time spent up to now is 313.1 secs Computing kpt #: 119 total cpu time spent up to now is 315.2 secs Computing kpt #: 120 total cpu time spent up to now is 317.5 secs Computing kpt #: 121 total cpu time spent up to now is 319.8 secs Computing kpt #: 122 total cpu time spent up to now is 322.4 secs Computing kpt #: 123 total cpu time spent up to now is 325.1 secs Computing kpt #: 124 total cpu time spent up to now is 328.4 secs Computing kpt #: 125 total cpu time spent up to now is 331.7 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.7 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.7 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 347.8 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.8 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.7 secs Computing kpt #: 132 total cpu time spent up to now is 359.0 secs Computing kpt #: 133 total cpu time spent up to now is 362.2 secs Computing kpt #: 134 total cpu time spent up to now is 365.4 secs Computing kpt #: 135 total cpu time spent up to now is 368.3 secs Computing kpt #: 136 total cpu time spent up to now is 371.0 secs Computing kpt #: 137 total cpu time spent up to now is 373.6 secs Computing kpt #: 138 total cpu time spent up to now is 375.9 secs Computing kpt #: 139 total cpu time spent up to now is 378.2 secs Computing kpt #: 140 total cpu time spent up to now is 380.3 secs Computing kpt #: 141 total cpu time spent up to now is 382.4 secs Computing kpt #: 142 total cpu time spent up to now is 384.5 secs Computing kpt #: 143 total cpu time spent up to now is 386.7 secs Computing kpt #: 144 total cpu time spent up to now is 388.8 secs Computing kpt #: 145 total cpu time spent up to now is 390.9 secs Computing kpt #: 146 total cpu time spent up to now is 393.1 secs Computing kpt #: 147 total cpu time spent up to now is 395.6 secs Computing kpt #: 148 total cpu time spent up to now is 397.9 secs Computing kpt #: 149 total cpu time spent up to now is 400.2 secs Computing kpt #: 150 total cpu time spent up to now is 402.3 secs Computing kpt #: 151 total cpu time spent up to now is 404.7 secs Computing kpt #: 152 total cpu time spent up to now is 407.1 secs Computing kpt #: 153 total cpu time spent up to now is 409.9 secs Computing kpt #: 154 total cpu time spent up to now is 412.6 secs Computing kpt #: 155 total cpu time spent up to now is 414.5 secs Computing kpt #: 156 total cpu time spent up to now is 417.0 secs Computing kpt #: 157 total cpu time spent up to now is 419.6 secs Computing kpt #: 158 total cpu time spent up to now is 421.9 secs Computing kpt #: 159 total cpu time spent up to now is 424.2 secs Computing kpt #: 160 total cpu time spent up to now is 426.7 secs Computing kpt #: 161 total cpu time spent up to now is 429.2 secs Computing kpt #: 162 total cpu time spent up to now is 431.8 secs Computing kpt #: 163 total cpu time spent up to now is 434.4 secs Computing kpt #: 164 total cpu time spent up to now is 436.9 secs Computing kpt #: 165 total cpu time spent up to now is 439.4 secs Computing kpt #: 166 total cpu time spent up to now is 442.1 secs Computing kpt #: 167 total cpu time spent up to now is 444.6 secs Computing kpt #: 168 total cpu time spent up to now is 447.5 secs Computing kpt #: 169 total cpu time spent up to now is 450.2 secs Computing kpt #: 170 total cpu time spent up to now is 452.8 secs Computing kpt #: 171 total cpu time spent up to now is 456.1 secs Computing kpt #: 172 total cpu time spent up to now is 459.6 secs Computing kpt #: 173 total cpu time spent up to now is 462.9 secs Computing kpt #: 174 total cpu time spent up to now is 466.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.6 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 474.6 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 478.5 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.4 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.4 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.3 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.4 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.3 secs Computing kpt #: 183 total cpu time spent up to now is 501.3 secs Computing kpt #: 184 total cpu time spent up to now is 504.3 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.1 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.0 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 519.9 secs Computing kpt #: 189 total cpu time spent up to now is 523.4 secs Computing kpt #: 190 total cpu time spent up to now is 527.0 secs Computing kpt #: 191 total cpu time spent up to now is 530.3 secs Computing kpt #: 192 total cpu time spent up to now is 533.6 secs Computing kpt #: 193 total cpu time spent up to now is 537.1 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 541.0 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.9 secs Computing kpt #: 196 total cpu time spent up to now is 548.3 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.1 secs Computing kpt #: 198 total cpu time spent up to now is 555.6 secs Computing kpt #: 199 total cpu time spent up to now is 558.9 secs Computing kpt #: 200 total cpu time spent up to now is 561.8 secs Computing kpt #: 201 total cpu time spent up to now is 564.7 secs Computing kpt #: 202 total cpu time spent up to now is 567.9 secs Computing kpt #: 203 total cpu time spent up to now is 570.3 secs Computing kpt #: 204 total cpu time spent up to now is 573.1 secs Computing kpt #: 205 total cpu time spent up to now is 575.7 secs Computing kpt #: 206 total cpu time spent up to now is 578.2 secs Computing kpt #: 207 total cpu time spent up to now is 580.6 secs Computing kpt #: 208 total cpu time spent up to now is 583.8 secs Computing kpt #: 209 total cpu time spent up to now is 586.2 secs Computing kpt #: 210 total cpu time spent up to now is 588.4 secs Computing kpt #: 211 total cpu time spent up to now is 590.6 secs Computing kpt #: 212 total cpu time spent up to now is 592.8 secs Computing kpt #: 213 total cpu time spent up to now is 595.1 secs Computing kpt #: 214 total cpu time spent up to now is 597.6 secs Computing kpt #: 215 total cpu time spent up to now is 600.0 secs Computing kpt #: 216 total cpu time spent up to now is 602.3 secs Computing kpt #: 217 total cpu time spent up to now is 604.6 secs Computing kpt #: 218 total cpu time spent up to now is 607.0 secs Computing kpt #: 219 total cpu time spent up to now is 609.3 secs Computing kpt #: 220 total cpu time spent up to now is 611.5 secs Computing kpt #: 221 total cpu time spent up to now is 613.9 secs Computing kpt #: 222 total cpu time spent up to now is 616.1 secs Computing kpt #: 223 total cpu time spent up to now is 618.3 secs Computing kpt #: 224 total cpu time spent up to now is 620.8 secs Computing kpt #: 225 total cpu time spent up to now is 623.2 secs Computing kpt #: 226 total cpu time spent up to now is 625.6 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 629.5 secs Computing kpt #: 228 total cpu time spent up to now is 631.0 secs Computing kpt #: 229 total cpu time spent up to now is 632.8 secs Computing kpt #: 230 total cpu time spent up to now is 635.4 secs Computing kpt #: 231 total cpu time spent up to now is 637.9 secs Computing kpt #: 232 total cpu time spent up to now is 640.4 secs Computing kpt #: 233 total cpu time spent up to now is 643.1 secs Computing kpt #: 234 total cpu time spent up to now is 646.0 secs Computing kpt #: 235 total cpu time spent up to now is 648.4 secs Computing kpt #: 236 total cpu time spent up to now is 650.9 secs Computing kpt #: 237 total cpu time spent up to now is 653.4 secs Computing kpt #: 238 total cpu time spent up to now is 655.9 secs Computing kpt #: 239 total cpu time spent up to now is 658.7 secs Computing kpt #: 240 total cpu time spent up to now is 661.6 secs Computing kpt #: 241 total cpu time spent up to now is 664.2 secs Computing kpt #: 242 total cpu time spent up to now is 666.5 secs Computing kpt #: 243 total cpu time spent up to now is 668.8 secs Computing kpt #: 244 total cpu time spent up to now is 671.1 secs Computing kpt #: 245 total cpu time spent up to now is 673.4 secs Computing kpt #: 246 total cpu time spent up to now is 675.6 secs Computing kpt #: 247 total cpu time spent up to now is 677.9 secs Computing kpt #: 248 total cpu time spent up to now is 680.1 secs Computing kpt #: 249 total cpu time spent up to now is 682.3 secs Computing kpt #: 250 total cpu time spent up to now is 684.6 secs Computing kpt #: 251 total cpu time spent up to now is 686.8 secs Computing kpt #: 252 total cpu time spent up to now is 688.9 secs Computing kpt #: 253 total cpu time spent up to now is 691.1 secs Computing kpt #: 254 total cpu time spent up to now is 693.5 secs Computing kpt #: 255 total cpu time spent up to now is 695.7 secs Computing kpt #: 256 total cpu time spent up to now is 697.9 secs Computing kpt #: 257 total cpu time spent up to now is 700.1 secs Computing kpt #: 258 total cpu time spent up to now is 702.3 secs Computing kpt #: 259 total cpu time spent up to now is 704.6 secs Computing kpt #: 260 total cpu time spent up to now is 706.8 secs Computing kpt #: 261 total cpu time spent up to now is 708.9 secs Computing kpt #: 262 total cpu time spent up to now is 711.2 secs Computing kpt #: 263 total cpu time spent up to now is 713.3 secs Computing kpt #: 264 total cpu time spent up to now is 715.6 secs Computing kpt #: 265 total cpu time spent up to now is 717.9 secs Computing kpt #: 266 total cpu time spent up to now is 720.1 secs Computing kpt #: 267 total cpu time spent up to now is 722.3 secs Computing kpt #: 268 total cpu time spent up to now is 724.5 secs Computing kpt #: 269 total cpu time spent up to now is 726.6 secs Computing kpt #: 270 total cpu time spent up to now is 728.7 secs Computing kpt #: 271 total cpu time spent up to now is 730.9 secs Computing kpt #: 272 total cpu time spent up to now is 733.0 secs Computing kpt #: 273 total cpu time spent up to now is 735.1 secs Computing kpt #: 274 total cpu time spent up to now is 737.1 secs Computing kpt #: 275 total cpu time spent up to now is 739.2 secs Computing kpt #: 276 total cpu time spent up to now is 741.3 secs Computing kpt #: 277 total cpu time spent up to now is 743.4 secs Computing kpt #: 278 total cpu time spent up to now is 745.7 secs Computing kpt #: 279 total cpu time spent up to now is 747.8 secs Computing kpt #: 280 total cpu time spent up to now is 749.9 secs Computing kpt #: 281 total cpu time spent up to now is 752.0 secs Computing kpt #: 282 total cpu time spent up to now is 754.1 secs Computing kpt #: 283 total cpu time spent up to now is 756.3 secs Computing kpt #: 284 total cpu time spent up to now is 758.4 secs Computing kpt #: 285 total cpu time spent up to now is 760.7 secs Computing kpt #: 286 total cpu time spent up to now is 762.9 secs Computing kpt #: 287 total cpu time spent up to now is 765.1 secs Computing kpt #: 288 total cpu time spent up to now is 767.4 secs Computing kpt #: 289 total cpu time spent up to now is 769.6 secs Computing kpt #: 290 total cpu time spent up to now is 771.7 secs Computing kpt #: 291 total cpu time spent up to now is 773.9 secs Computing kpt #: 292 total cpu time spent up to now is 776.1 secs Computing kpt #: 293 total cpu time spent up to now is 778.3 secs Computing kpt #: 294 total cpu time spent up to now is 780.6 secs Computing kpt #: 295 total cpu time spent up to now is 783.0 secs Computing kpt #: 296 total cpu time spent up to now is 785.2 secs Computing kpt #: 297 total cpu time spent up to now is 787.4 secs Computing kpt #: 298 total cpu time spent up to now is 789.7 secs Computing kpt #: 299 total cpu time spent up to now is 792.0 secs Computing kpt #: 300 total cpu time spent up to now is 794.2 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 798.2 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 802.2 secs Computing kpt #: 303 total cpu time spent up to now is 804.5 secs Computing kpt #: 304 total cpu time spent up to now is 806.9 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 810.8 secs Computing kpt #: 306 total cpu time spent up to now is 813.2 secs Computing kpt #: 307 total cpu time spent up to now is 816.2 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 820.1 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 824.2 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 828.3 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 832.4 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 836.4 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.4 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 844.4 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.4 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 852.4 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.4 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.3 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 864.3 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 868.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 872.1 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 876.1 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.0 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.0 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.9 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 891.9 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 895.8 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.7 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.6 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 907.6 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 911.5 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 915.4 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 919.3 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.2 secs Computing kpt #: 335 total cpu time spent up to now is 926.1 secs Computing kpt #: 336 total cpu time spent up to now is 928.0 secs Computing kpt #: 337 total cpu time spent up to now is 929.8 secs Computing kpt #: 338 total cpu time spent up to now is 931.6 secs Computing kpt #: 339 total cpu time spent up to now is 933.5 secs Computing kpt #: 340 total cpu time spent up to now is 935.4 secs Computing kpt #: 341 total cpu time spent up to now is 937.2 secs Computing kpt #: 342 total cpu time spent up to now is 939.0 secs Computing kpt #: 343 total cpu time spent up to now is 940.8 secs Computing kpt #: 344 total cpu time spent up to now is 942.6 secs Computing kpt #: 345 total cpu time spent up to now is 944.4 secs Computing kpt #: 346 total cpu time spent up to now is 946.1 secs Computing kpt #: 347 total cpu time spent up to now is 947.9 secs Computing kpt #: 348 total cpu time spent up to now is 949.6 secs Computing kpt #: 349 total cpu time spent up to now is 951.3 secs Computing kpt #: 350 total cpu time spent up to now is 953.1 secs Computing kpt #: 351 total cpu time spent up to now is 954.9 secs Computing kpt #: 352 total cpu time spent up to now is 956.7 secs Computing kpt #: 353 total cpu time spent up to now is 958.4 secs Computing kpt #: 354 total cpu time spent up to now is 960.0 secs Computing kpt #: 355 total cpu time spent up to now is 961.8 secs Computing kpt #: 356 total cpu time spent up to now is 963.5 secs Computing kpt #: 357 total cpu time spent up to now is 965.2 secs Computing kpt #: 358 total cpu time spent up to now is 966.9 secs Computing kpt #: 359 total cpu time spent up to now is 968.6 secs Computing kpt #: 360 total cpu time spent up to now is 970.2 secs Computing kpt #: 361 total cpu time spent up to now is 972.0 secs Computing kpt #: 362 total cpu time spent up to now is 973.6 secs Computing kpt #: 363 total cpu time spent up to now is 975.3 secs Computing kpt #: 364 total cpu time spent up to now is 977.0 secs Computing kpt #: 365 total cpu time spent up to now is 978.7 secs Computing kpt #: 366 total cpu time spent up to now is 980.4 secs Computing kpt #: 367 total cpu time spent up to now is 982.4 secs Computing kpt #: 368 total cpu time spent up to now is 984.3 secs Computing kpt #: 369 total cpu time spent up to now is 986.3 secs Computing kpt #: 370 total cpu time spent up to now is 988.3 secs Computing kpt #: 371 total cpu time spent up to now is 990.3 secs Computing kpt #: 372 total cpu time spent up to now is 992.1 secs Computing kpt #: 373 total cpu time spent up to now is 993.9 secs Computing kpt #: 374 total cpu time spent up to now is 995.9 secs Computing kpt #: 375 total cpu time spent up to now is 997.8 secs Computing kpt #: 376 total cpu time spent up to now is 999.7 secs Computing kpt #: 377 total cpu time spent up to now is 1001.7 secs Computing kpt #: 378 total cpu time spent up to now is 1003.6 secs Computing kpt #: 379 total cpu time spent up to now is 1005.6 secs Computing kpt #: 380 total cpu time spent up to now is 1007.7 secs Computing kpt #: 381 total cpu time spent up to now is 1009.5 secs Computing kpt #: 382 total cpu time spent up to now is 1011.5 secs Computing kpt #: 383 total cpu time spent up to now is 1013.5 secs Computing kpt #: 384 total cpu time spent up to now is 1015.5 secs Computing kpt #: 385 total cpu time spent up to now is 1017.5 secs Computing kpt #: 386 total cpu time spent up to now is 1019.4 secs Computing kpt #: 387 total cpu time spent up to now is 1021.3 secs Computing kpt #: 388 total cpu time spent up to now is 1023.2 secs Computing kpt #: 389 total cpu time spent up to now is 1025.2 secs Computing kpt #: 390 total cpu time spent up to now is 1027.2 secs Computing kpt #: 391 total cpu time spent up to now is 1029.2 secs Computing kpt #: 392 total cpu time spent up to now is 1031.1 secs Computing kpt #: 393 total cpu time spent up to now is 1033.0 secs Computing kpt #: 394 total cpu time spent up to now is 1035.0 secs Computing kpt #: 395 total cpu time spent up to now is 1037.0 secs Computing kpt #: 396 total cpu time spent up to now is 1039.0 secs Computing kpt #: 397 total cpu time spent up to now is 1041.0 secs ethr = 2.08E-11, avg # of iterations = 59.0 total cpu time spent up to now is 1041.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2589 PWs) bands (ev): -37.0079 -37.0079 -36.9666 -36.9666 -16.3484 -16.3484 -16.1115 -16.1115 -14.7615 -14.7615 -14.4521 -14.4521 -14.3522 -14.3522 -14.3210 -14.3210 -6.7865 -6.7865 -5.6279 -5.6279 -5.1480 -5.1480 -4.8074 -4.8074 5.9457 5.9457 6.1637 6.1637 6.3304 6.3304 6.3411 6.3411 8.2113 8.2113 8.2941 8.2941 9.2481 9.2481 9.2640 9.2640 9.8122 9.8122 10.4121 10.4121 10.4869 10.4869 10.4935 10.4935 14.5229 14.5229 15.0201 15.0201 15.6164 15.6164 15.8032 15.8032 16.9194 16.9194 k = 0.0000 0.0114-0.0000 ( 2591 PWs) bands (ev): -37.0079 -37.0079 -36.9666 -36.9666 -16.3484 -16.3484 -16.1117 -16.1117 -14.7615 -14.7615 -14.4523 -14.4523 -14.3523 -14.3523 -14.3213 -14.3213 -6.7854 -6.7854 -5.6274 -5.6274 -5.1482 -5.1482 -4.8078 -4.8078 5.9430 5.9430 6.1642 6.1642 6.3331 6.3331 6.3450 6.3450 8.2105 8.2105 8.2932 8.2932 9.2473 9.2473 9.2632 9.2632 9.8126 9.8126 10.4124 10.4124 10.4852 10.4852 10.4918 10.4918 14.5253 14.5253 15.0211 15.0211 15.6166 15.6166 15.8023 15.8023 16.9200 16.9200 k = 0.0000 0.0227-0.0000 ( 2583 PWs) bands (ev): -37.0078 -37.0078 -36.9666 -36.9666 -16.3484 -16.3484 -16.1122 -16.1122 -14.7614 -14.7614 -14.4531 -14.4531 -14.3527 -14.3527 -14.3223 -14.3223 -6.7820 -6.7820 -5.6260 -5.6260 -5.1486 -5.1486 -4.8091 -4.8091 5.9354 5.9354 6.1658 6.1658 6.3376 6.3376 6.3598 6.3598 8.2079 8.2079 8.2906 8.2906 9.2447 9.2447 9.2608 9.2608 9.8138 9.8138 10.4131 10.4131 10.4792 10.4792 10.4875 10.4875 14.5322 14.5322 15.0240 15.0240 15.6171 15.6171 15.7998 15.7998 16.9217 16.9217 k = 0.0000 0.0341-0.0000 ( 2579 PWs) bands (ev): -37.0077 -37.0077 -36.9665 -36.9665 -16.3484 -16.3484 -16.1130 -16.1130 -14.7612 -14.7612 -14.4544 -14.4544 -14.3534 -14.3534 -14.3239 -14.3239 -6.7763 -6.7763 -5.6237 -5.6237 -5.1493 -5.1493 -4.8112 -4.8112 5.9244 5.9244 6.1685 6.1685 6.3422 6.3422 6.3856 6.3856 8.2034 8.2034 8.2867 8.2867 9.2403 9.2403 9.2570 9.2570 9.8156 9.8156 10.4141 10.4141 10.4681 10.4681 10.4817 10.4817 14.5438 14.5438 15.0287 15.0287 15.6180 15.6180 15.7955 15.7955 16.9247 16.9247 k = 0.0000 0.0455-0.0000 ( 2577 PWs) bands (ev): -37.0075 -37.0075 -36.9664 -36.9664 -16.3484 -16.3484 -16.1142 -16.1142 -14.7610 -14.7610 -14.4562 -14.4562 -14.3544 -14.3544 -14.3259 -14.3259 -6.7685 -6.7685 -5.6206 -5.6206 -5.1503 -5.1503 -4.8141 -4.8141 5.9114 5.9114 6.1723 6.1723 6.3481 6.3481 6.4198 6.4198 8.1965 8.1965 8.2819 8.2819 9.2338 9.2338 9.2518 9.2518 9.8182 9.8182 10.4144 10.4144 10.4528 10.4528 10.4747 10.4747 14.5597 14.5597 15.0352 15.0352 15.6192 15.6192 15.7894 15.7894 16.9290 16.9290 k = 0.0000 0.0568-0.0000 ( 2581 PWs) bands (ev): -37.0072 -37.0072 -36.9664 -36.9664 -16.3484 -16.3484 -16.1157 -16.1157 -14.7607 -14.7607 -14.4584 -14.4584 -14.3560 -14.3560 -14.3284 -14.3284 -6.7584 -6.7584 -5.6165 -5.6165 -5.1515 -5.1515 -4.8178 -4.8178 5.8978 5.8978 6.1770 6.1770 6.3553 6.3553 6.4608 6.4608 8.1868 8.1868 8.2768 8.2768 9.2252 9.2252 9.2454 9.2454 9.8213 9.8213 10.4106 10.4106 10.4372 10.4372 10.4664 10.4664 14.5798 14.5798 15.0432 15.0432 15.6207 15.6207 15.7815 15.7815 16.9345 16.9345 k = 0.0000 0.0682-0.0000 ( 2589 PWs) bands (ev): -37.0070 -37.0070 -36.9664 -36.9664 -16.3485 -16.3485 -16.1175 -16.1175 -14.7604 -14.7604 -14.4611 -14.4611 -14.3581 -14.3581 -14.3311 -14.3311 -6.7462 -6.7462 -5.6117 -5.6117 -5.1530 -5.1530 -4.8223 -4.8223 5.8849 5.8849 6.1828 6.1828 6.3641 6.3641 6.5072 6.5072 8.1741 8.1741 8.2720 8.2720 9.2144 9.2144 9.2379 9.2379 9.8249 9.8249 10.3935 10.3935 10.4302 10.4302 10.4575 10.4575 14.6039 14.6039 15.0526 15.0526 15.6226 15.6226 15.7718 15.7718 16.9415 16.9415 k = 0.0000 0.0795-0.0000 ( 2597 PWs) bands (ev): -37.0066 -37.0066 -36.9664 -36.9664 -16.3485 -16.3485 -16.1196 -16.1196 -14.7600 -14.7600 -14.4641 -14.4641 -14.3611 -14.3611 -14.3338 -14.3338 -6.7319 -6.7319 -5.6061 -5.6061 -5.1547 -5.1547 -4.8275 -4.8275 5.8733 5.8733 6.1895 6.1895 6.3745 6.3745 6.5581 6.5581 8.1581 8.1581 8.2677 8.2677 9.2013 9.2013 9.2293 9.2293 9.8287 9.8287 10.3656 10.3656 10.4280 10.4280 10.4497 10.4497 14.6317 14.6317 15.0630 15.0630 15.6248 15.6248 15.7602 15.7602 16.9499 16.9499 k = 0.0000 0.0909-0.0000 ( 2597 PWs) bands (ev): -37.0062 -37.0062 -36.9663 -36.9663 -16.3485 -16.3485 -16.1220 -16.1220 -14.7596 -14.7596 -14.4674 -14.4674 -14.3651 -14.3651 -14.3364 -14.3364 -6.7155 -6.7155 -5.5999 -5.5999 -5.1567 -5.1567 -4.8334 -4.8334 5.8637 5.8637 6.1972 6.1972 6.3864 6.3864 6.6128 6.6128 8.1390 8.1390 8.2640 8.2640 9.1861 9.1861 9.2196 9.2196 9.8327 9.8327 10.3321 10.3321 10.4226 10.4226 10.4466 10.4466 14.6628 14.6628 15.0744 15.0744 15.6273 15.6273 15.7467 15.7467 16.9599 16.9599 k = 0.0000 0.1023-0.0000 ( 2597 PWs) bands (ev): -37.0057 -37.0057 -36.9662 -36.9662 -16.3486 -16.3486 -16.1248 -16.1248 -14.7592 -14.7592 -14.4710 -14.4710 -14.3701 -14.3701 -14.3387 -14.3387 -6.6972 -6.6972 -5.5931 -5.5931 -5.1588 -5.1588 -4.8400 -4.8400 5.8564 5.8564 6.2057 6.2057 6.3998 6.3998 6.6708 6.6708 8.1172 8.1172 8.2611 8.2611 9.1687 9.1687 9.2086 9.2086 9.8367 9.8367 10.2945 10.2945 10.4125 10.4125 10.4483 10.4483 14.6969 14.6969 15.0862 15.0862 15.6302 15.6302 15.7312 15.7312 16.9716 16.9716 k = 0.0000 0.1136-0.0000 ( 2595 PWs) bands (ev): -37.0051 -37.0051 -36.9661 -36.9661 -16.3486 -16.3486 -16.1279 -16.1279 -14.7588 -14.7588 -14.4747 -14.4747 -14.3761 -14.3761 -14.3408 -14.3408 -6.6770 -6.6770 -5.5858 -5.5858 -5.1611 -5.1611 -4.8472 -4.8472 5.8519 5.8519 6.2151 6.2151 6.4148 6.4148 6.7315 6.7315 8.0931 8.0931 8.2588 8.2588 9.1494 9.1494 9.1963 9.1963 9.8405 9.8405 10.2533 10.2533 10.4004 10.4004 10.4523 10.4523 14.7337 14.7337 15.0983 15.0983 15.6333 15.6333 15.7138 15.7138 16.9851 16.9851 k = 0.0000 0.1250-0.0000 ( 2597 PWs) bands (ev): -37.0045 -37.0045 -36.9661 -36.9661 -16.3487 -16.3487 -16.1312 -16.1312 -14.7583 -14.7583 -14.4786 -14.4786 -14.3831 -14.3831 -14.3427 -14.3427 -6.6551 -6.6551 -5.5780 -5.5780 -5.1636 -5.1636 -4.8550 -4.8550 5.8501 5.8501 6.2253 6.2253 6.4313 6.4313 6.7946 6.7946 8.0670 8.0670 8.2570 8.2570 9.1280 9.1280 9.1826 9.1826 9.8440 9.8440 10.2091 10.2091 10.3878 10.3878 10.4571 10.4571 14.7729 14.7729 15.1102 15.1102 15.6367 15.6367 15.6946 15.6946 17.0005 17.0005 k = 0.0000 0.1364-0.0000 ( 2601 PWs) bands (ev): -37.0039 -37.0039 -36.9660 -36.9660 -16.3488 -16.3488 -16.1349 -16.1349 -14.7579 -14.7579 -14.4826 -14.4826 -14.3909 -14.3909 -14.3445 -14.3445 -6.6314 -6.6314 -5.5700 -5.5700 -5.1662 -5.1662 -4.8633 -4.8633 5.8513 5.8513 6.2362 6.2362 6.4494 6.4494 6.8596 6.8596 8.0394 8.0394 8.2556 8.2556 9.1048 9.1048 9.1674 9.1674 9.8471 9.8471 10.1622 10.1622 10.3752 10.3752 10.4624 10.4624 14.8140 14.8140 15.1216 15.1216 15.6402 15.6402 15.6737 15.6737 17.0178 17.0178 k = 0.0000 0.1477-0.0000 ( 2605 PWs) bands (ev): -37.0032 -37.0032 -36.9660 -36.9660 -16.3489 -16.3489 -16.1388 -16.1388 -14.7576 -14.7576 -14.4866 -14.4866 -14.3995 -14.3995 -14.3462 -14.3462 -6.6061 -6.6061 -5.5617 -5.5617 -5.1690 -5.1690 -4.8720 -4.8720 5.8556 5.8556 6.2477 6.2477 6.4689 6.4689 6.9263 6.9263 8.0108 8.0108 8.2547 8.2547 9.0796 9.0796 9.1507 9.1507 9.8495 9.8495 10.1130 10.1130 10.3631 10.3631 10.4680 10.4680 14.8567 14.8567 15.1323 15.1323 15.6416 15.6416 15.6534 15.6534 17.0372 17.0372 k = 0.0000 0.1591-0.0000 ( 2601 PWs) bands (ev): -37.0024 -37.0024 -36.9659 -36.9659 -16.3489 -16.3489 -16.1430 -16.1430 -14.7572 -14.7572 -14.4905 -14.4905 -14.4087 -14.4087 -14.3479 -14.3479 -6.5793 -6.5793 -5.5533 -5.5533 -5.1718 -5.1718 -4.8811 -4.8811 5.8629 5.8629 6.2598 6.2598 6.4900 6.4900 6.9942 6.9942 7.9818 7.9818 8.2542 8.2542 9.0527 9.0527 9.1324 9.1324 9.8512 9.8512 10.0617 10.0617 10.3516 10.3516 10.4736 10.4736 14.9008 14.9008 15.1418 15.1418 15.6235 15.6235 15.6511 15.6511 17.0588 17.0588 k = 0.0000 0.1705-0.0000 ( 2597 PWs) bands (ev): -37.0017 -37.0017 -36.9658 -36.9658 -16.3490 -16.3490 -16.1475 -16.1475 -14.7570 -14.7570 -14.4943 -14.4943 -14.4184 -14.4184 -14.3496 -14.3496 -6.5512 -6.5512 -5.5450 -5.5450 -5.1746 -5.1746 -4.8905 -4.8905 5.8734 5.8734 6.2723 6.2723 6.5125 6.5125 7.0628 7.0628 7.9530 7.9530 8.2541 8.2541 9.0241 9.0241 9.1124 9.1124 9.8521 9.8521 10.0088 10.0088 10.3412 10.3412 10.4792 10.4792 14.9457 14.9457 15.1499 15.1499 15.5976 15.5976 15.6553 15.6553 17.0826 17.0826 k = 0.0000 0.1818-0.0000 ( 2597 PWs) bands (ev): -37.0008 -37.0008 -36.9658 -36.9658 -16.3491 -16.3491 -16.1523 -16.1523 -14.7567 -14.7567 -14.4980 -14.4980 -14.4286 -14.4286 -14.3514 -14.3514 -6.5218 -6.5218 -5.5368 -5.5368 -5.1775 -5.1775 -4.9001 -4.9001 5.8869 5.8869 6.2853 6.2853 6.5365 6.5365 7.1315 7.1315 7.9249 7.9249 8.2544 8.2544 8.9937 8.9937 9.0908 9.0908 9.8521 9.8521 9.9544 9.9544 10.3318 10.3318 10.4848 10.4848 14.9913 14.9913 15.1563 15.1563 15.5698 15.5698 15.6603 15.6603 17.1085 17.1085 k = 0.0000 0.1932-0.0000 ( 2597 PWs) bands (ev): -37.0000 -37.0000 -36.9657 -36.9657 -16.3491 -16.3491 -16.1572 -16.1572 -14.7566 -14.7566 -14.5013 -14.5013 -14.4392 -14.4392 -14.3533 -14.3533 -6.4912 -6.4912 -5.5289 -5.5289 -5.1804 -5.1804 -4.9099 -4.9099 5.9033 5.9033 6.2986 6.2986 6.5620 6.5620 7.1996 7.1996 7.8986 7.8986 8.2552 8.2552 8.9618 8.9618 9.0675 9.0675 9.8510 9.8510 9.8991 9.8991 10.3235 10.3235 10.4902 10.4902 15.0372 15.0372 15.1609 15.1609 15.5406 15.5406 15.6656 15.6656 17.1367 17.1367 k = 0.0000 0.2045-0.0000 ( 2593 PWs) bands (ev): -36.9991 -36.9991 -36.9656 -36.9656 -16.3492 -16.3492 -16.1624 -16.1624 -14.7565 -14.7565 -14.5044 -14.5044 -14.4501 -14.4501 -14.3553 -14.3553 -6.4596 -6.4596 -5.5214 -5.5214 -5.1832 -5.1832 -4.9198 -4.9198 5.9227 5.9227 6.3122 6.3122 6.5889 6.5889 7.2660 7.2660 7.8753 7.8753 8.2564 8.2564 8.9282 8.9282 9.0425 9.0425 9.8397 9.8397 9.8522 9.8522 10.3164 10.3164 10.4953 10.4953 15.0831 15.0831 15.1634 15.1634 15.5102 15.5102 15.6712 15.6712 17.1669 17.1669 k = 0.0000 0.2159-0.0000 ( 2585 PWs) bands (ev): -36.9981 -36.9981 -36.9656 -36.9656 -16.3492 -16.3492 -16.1678 -16.1678 -14.7565 -14.7565 -14.5072 -14.5072 -14.4612 -14.4612 -14.3574 -14.3574 -6.4271 -6.4271 -5.5144 -5.5144 -5.1860 -5.1860 -4.9298 -4.9298 5.9448 5.9448 6.3259 6.3259 6.6172 6.6172 7.3289 7.3289 7.8567 7.8567 8.2581 8.2581 8.8931 8.8931 9.0160 9.0160 9.7846 9.7846 9.8475 9.8475 10.3104 10.3104 10.5002 10.5002 15.1288 15.1288 15.1637 15.1637 15.4789 15.4789 15.6771 15.6771 17.1990 17.1990 k = 0.0000 0.2273-0.0000 ( 2583 PWs) bands (ev): -36.9971 -36.9971 -36.9656 -36.9656 -16.3492 -16.3492 -16.1734 -16.1734 -14.7566 -14.7566 -14.5097 -14.5097 -14.4726 -14.4726 -14.3597 -14.3597 -6.3938 -6.3938 -5.5080 -5.5080 -5.1887 -5.1887 -4.9396 -4.9396 5.9696 5.9696 6.3396 6.3396 6.6469 6.6469 7.3860 7.3860 7.8454 7.8454 8.2603 8.2603 8.8566 8.8566 8.9878 8.9878 9.7272 9.7272 9.8436 9.8436 10.3056 10.3056 10.5047 10.5047 15.1617 15.1617 15.1740 15.1740 15.4468 15.4468 15.6832 15.6832 17.2329 17.2329 k = 0.0000 0.2386-0.0000 ( 2589 PWs) bands (ev): -36.9961 -36.9961 -36.9656 -36.9656 -16.3492 -16.3492 -16.1792 -16.1792 -14.7568 -14.7568 -14.5118 -14.5118 -14.4840 -14.4840 -14.3621 -14.3621 -6.3599 -6.3599 -5.5023 -5.5023 -5.1912 -5.1912 -4.9494 -4.9494 5.9968 5.9968 6.3533 6.3533 6.6780 6.6780 7.4340 7.4340 7.8448 7.8448 8.2632 8.2632 8.8186 8.8186 8.9582 8.9582 9.6695 9.6695 9.8387 9.8387 10.3018 10.3018 10.5088 10.5088 15.1575 15.1575 15.2185 15.2185 15.4143 15.4143 15.6896 15.6896 17.2681 17.2681 k = 0.0000 0.2500-0.0000 ( 2591 PWs) bands (ev): -36.9951 -36.9951 -36.9656 -36.9656 -16.3491 -16.3491 -16.1852 -16.1852 -14.7569 -14.7569 -14.5137 -14.5137 -14.4953 -14.4953 -14.3646 -14.3646 -6.3254 -6.3254 -5.4975 -5.4975 -5.1935 -5.1935 -4.9591 -4.9591 6.0263 6.0263 6.3668 6.3668 6.7105 6.7105 7.4693 7.4693 7.8586 7.8586 8.2667 8.2667 8.7793 8.7793 8.9271 8.9271 9.6118 9.6118 9.8326 9.8326 10.2989 10.2989 10.5125 10.5125 15.1510 15.1510 15.2619 15.2619 15.3816 15.3816 15.6961 15.6961 17.2656 17.2656 k = 0.0000 0.2614-0.0000 ( 2591 PWs) bands (ev): -36.9941 -36.9941 -36.9657 -36.9657 -16.3490 -16.3490 -16.1912 -16.1912 -14.7571 -14.7571 -14.5162 -14.5162 -14.5056 -14.5056 -14.3673 -14.3673 -6.2906 -6.2906 -5.4936 -5.4936 -5.1957 -5.1957 -4.9685 -4.9685 6.0577 6.0577 6.3801 6.3801 6.7442 6.7442 7.4904 7.4904 7.8886 7.8886 8.2708 8.2708 8.7387 8.7387 8.8946 8.8946 9.5543 9.5543 9.8253 9.8253 10.2971 10.2971 10.5158 10.5158 15.1425 15.1425 15.3042 15.3042 15.3491 15.3491 15.7027 15.7027 17.2118 17.2118 k = 0.0000 0.2727-0.0000 ( 2595 PWs) bands (ev): -36.9931 -36.9931 -36.9657 -36.9657 -16.3489 -16.3489 -16.1975 -16.1975 -14.7573 -14.7573 -14.5227 -14.5227 -14.5115 -14.5115 -14.3701 -14.3701 -6.2556 -6.2556 -5.4907 -5.4907 -5.1976 -5.1976 -4.9776 -4.9776 6.0908 6.0908 6.3931 6.3931 6.7793 6.7793 7.4989 7.4989 7.9332 7.9332 8.2757 8.2757 8.6968 8.6968 8.8608 8.8608 9.4971 9.4971 9.8166 9.8166 10.2962 10.2962 10.5185 10.5185 15.1319 15.1319 15.3157 15.3157 15.3462 15.3462 15.7094 15.7094 17.1588 17.1588 k = 0.0000 0.2841-0.0000 ( 2589 PWs) bands (ev): -36.9920 -36.9920 -36.9658 -36.9658 -16.3486 -16.3486 -16.2037 -16.2037 -14.7575 -14.7575 -14.5332 -14.5332 -14.5130 -14.5130 -14.3731 -14.3731 -6.2204 -6.2204 -5.4889 -5.4889 -5.1992 -5.1992 -4.9865 -4.9865 6.1252 6.1252 6.4058 6.4058 6.8156 6.8156 7.4988 7.4988 7.9887 7.9887 8.2814 8.2814 8.6538 8.6538 8.8257 8.8257 9.4405 9.4405 9.8063 9.8063 10.2962 10.2962 10.5208 10.5208 15.1196 15.1196 15.2840 15.2840 15.3855 15.3855 15.7162 15.7162 17.1075 17.1075 k = 0.0000 0.2955-0.0000 ( 2593 PWs) bands (ev): -36.9910 -36.9910 -36.9659 -36.9659 -16.3483 -16.3483 -16.2101 -16.2101 -14.7576 -14.7576 -14.5446 -14.5446 -14.5130 -14.5130 -14.3763 -14.3763 -6.1852 -6.1852 -5.4882 -5.4882 -5.2004 -5.2004 -4.9951 -4.9951 6.1606 6.1606 6.4180 6.4180 6.8531 6.8531 7.4940 7.4940 8.0512 8.0512 8.2878 8.2878 8.6097 8.6097 8.7895 8.7895 9.3846 9.3846 9.7942 9.7942 10.2971 10.2971 10.5224 10.5224 15.1056 15.1056 15.2525 15.2525 15.4235 15.4235 15.7230 15.7230 17.0581 17.0581 k = 0.0000 0.3068-0.0000 ( 2597 PWs) bands (ev): -36.9899 -36.9899 -36.9661 -36.9661 -16.3478 -16.3478 -16.2166 -16.2166 -14.7576 -14.7576 -14.5561 -14.5561 -14.5124 -14.5124 -14.3795 -14.3795 -6.1501 -6.1501 -5.4886 -5.4886 -5.2013 -5.2013 -5.0034 -5.0034 6.1965 6.1965 6.4296 6.4296 6.8919 6.8919 7.4876 7.4876 8.1181 8.1181 8.2952 8.2952 8.5644 8.5644 8.7521 8.7521 9.3295 9.3295 9.7802 9.7802 10.2991 10.2991 10.5235 10.5235 15.0903 15.0903 15.2218 15.2218 15.4599 15.4599 15.7298 15.7298 17.0112 17.0112 k = 0.0000 0.3182-0.0000 ( 2593 PWs) bands (ev): -36.9888 -36.9888 -36.9662 -36.9662 -16.3473 -16.3473 -16.2230 -16.2230 -14.7575 -14.7575 -14.5675 -14.5675 -14.5112 -14.5112 -14.3830 -14.3830 -6.1153 -6.1153 -5.4903 -5.4903 -5.2018 -5.2018 -5.0115 -5.0115 6.2325 6.2325 6.4407 6.4407 6.9318 6.9318 7.4817 7.4817 8.1873 8.1873 8.3036 8.3036 8.5183 8.5183 8.7135 8.7135 9.2753 9.2753 9.7642 9.7642 10.3020 10.3020 10.5240 10.5240 15.0739 15.0739 15.1920 15.1920 15.4945 15.4945 15.7366 15.7366 16.9671 16.9671 k = 0.0000 0.3295-0.0000 ( 2587 PWs) bands (ev): -36.9877 -36.9877 -36.9664 -36.9664 -16.3466 -16.3466 -16.2295 -16.2295 -14.7572 -14.7572 -14.5788 -14.5788 -14.5096 -14.5096 -14.3865 -14.3865 -6.0809 -6.0809 -5.4932 -5.4932 -5.2018 -5.2018 -5.0193 -5.0193 6.2681 6.2681 6.4512 6.4512 6.9729 6.9729 7.4776 7.4776 8.2575 8.2575 8.3133 8.3133 8.4712 8.4712 8.6738 8.6738 9.2223 9.2223 9.7459 9.7459 10.3059 10.3059 10.5239 10.5239 15.0567 15.0567 15.1632 15.1632 15.5272 15.5272 15.7432 15.7432 16.9263 16.9263 k = 0.0000 0.3409-0.0000 ( 2587 PWs) bands (ev): -36.9867 -36.9867 -36.9666 -36.9666 -16.3458 -16.3458 -16.2360 -16.2360 -14.7567 -14.7567 -14.5900 -14.5900 -14.5076 -14.5076 -14.3902 -14.3902 -6.0470 -6.0470 -5.4973 -5.4973 -5.2013 -5.2013 -5.0269 -5.0269 6.3026 6.3026 6.4610 6.4610 7.0151 7.0151 7.4765 7.4765 8.3178 8.3178 8.3337 8.3337 8.4237 8.4237 8.6329 8.6329 9.1704 9.1704 9.7253 9.7253 10.3109 10.3109 10.5232 10.5232 15.0391 15.0391 15.1354 15.1354 15.5579 15.5579 15.7496 15.7496 16.8893 16.8893 k = 0.0000 0.3523-0.0000 ( 2583 PWs) bands (ev): -36.9856 -36.9856 -36.9668 -36.9668 -16.3449 -16.3449 -16.2424 -16.2424 -14.7560 -14.7560 -14.6009 -14.6009 -14.5052 -14.5052 -14.3941 -14.3941 -6.0137 -6.0137 -5.5026 -5.5026 -5.2003 -5.2003 -5.0344 -5.0344 6.3357 6.3357 6.4702 6.4702 7.0583 7.0583 7.4793 7.4793 8.3328 8.3328 8.3702 8.3702 8.4057 8.4057 8.5909 8.5909 9.1198 9.1198 9.7023 9.7023 10.3169 10.3169 10.5218 10.5218 15.0214 15.0214 15.1088 15.1088 15.5867 15.5867 15.7559 15.7559 16.8563 16.8563 k = 0.0000 0.3636-0.0000 ( 2581 PWs) bands (ev): -36.9845 -36.9845 -36.9671 -36.9671 -16.3437 -16.3437 -16.2487 -16.2487 -14.7549 -14.7549 -14.6116 -14.6116 -14.5024 -14.5024 -14.3980 -14.3980 -5.9810 -5.9810 -5.5090 -5.5090 -5.1987 -5.1987 -5.0417 -5.0417 6.3668 6.3668 6.4787 6.4787 7.1026 7.1026 7.4866 7.4866 8.3229 8.3229 8.3456 8.3456 8.4731 8.4731 8.5478 8.5478 9.0705 9.0705 9.6770 9.6770 10.3238 10.3238 10.5197 10.5197 15.0038 15.0038 15.0834 15.0834 15.6134 15.6134 15.7618 15.7618 16.8278 16.8278 k = 0.0000 0.3750-0.0000 ( 2581 PWs) bands (ev): -36.9834 -36.9834 -36.9674 -36.9674 -16.3424 -16.3424 -16.2550 -16.2550 -14.7536 -14.7536 -14.6220 -14.6220 -14.4993 -14.4993 -14.4021 -14.4021 -5.9492 -5.9492 -5.5165 -5.5165 -5.1964 -5.1964 -5.0491 -5.0491 6.3954 6.3954 6.4865 6.4865 7.1478 7.1478 7.4988 7.4988 8.2729 8.2729 8.3587 8.3587 8.5028 8.5028 8.5431 8.5431 9.0227 9.0227 9.6493 9.6493 10.3315 10.3315 10.5170 10.5170 14.9867 14.9867 15.0592 15.0592 15.6381 15.6381 15.7674 15.7674 16.8041 16.8041 k = 0.0000 0.3864-0.0000 ( 2577 PWs) bands (ev): -36.9824 -36.9824 -36.9678 -36.9678 -16.3409 -16.3409 -16.2612 -16.2612 -14.7520 -14.7520 -14.6322 -14.6322 -14.4960 -14.4960 -14.4063 -14.4063 -5.9183 -5.9183 -5.5252 -5.5252 -5.1936 -5.1936 -5.0564 -5.0564 6.4212 6.4212 6.4936 6.4936 7.1940 7.1940 7.5163 7.5163 8.2220 8.2220 8.3723 8.3723 8.4583 8.4583 8.6112 8.6112 8.9764 8.9764 9.6193 9.6193 10.3401 10.3401 10.5136 10.5136 14.9704 14.9704 15.0363 15.0363 15.6607 15.6607 15.7726 15.7726 16.7856 16.7856 k = 0.0000 0.3977-0.0000 ( 2581 PWs) bands (ev): -36.9814 -36.9814 -36.9682 -36.9682 -16.3392 -16.3392 -16.2672 -16.2672 -14.7499 -14.7499 -14.6420 -14.6420 -14.4924 -14.4924 -14.4107 -14.4107 -5.8883 -5.8883 -5.5350 -5.5350 -5.1901 -5.1901 -5.0638 -5.0638 6.4439 6.4439 6.5000 6.5000 7.2411 7.2411 7.5391 7.5391 8.1704 8.1704 8.3816 8.3816 8.4178 8.4178 8.6783 8.6783 8.9316 8.9316 9.5870 9.5870 10.3493 10.3493 10.5095 10.5095 14.9551 14.9551 15.0147 15.0147 15.6814 15.6814 15.7772 15.7772 16.7724 16.7724 k = 0.0000 0.4091-0.0000 ( 2585 PWs) bands (ev): -36.9805 -36.9805 -36.9686 -36.9686 -16.3373 -16.3373 -16.2732 -16.2732 -14.7475 -14.7475 -14.6515 -14.6515 -14.4885 -14.4885 -14.4151 -14.4151 -5.8593 -5.8593 -5.5457 -5.5457 -5.1860 -5.1860 -5.0713 -5.0713 6.4635 6.4635 6.5058 6.5058 7.2890 7.2890 7.5672 7.5672 8.1184 8.1184 8.3541 8.3541 8.4138 8.4138 8.7438 8.7438 8.8886 8.8886 9.5526 9.5526 10.3592 10.3592 10.5047 10.5047 14.9411 14.9411 14.9946 14.9946 15.7000 15.7000 15.7813 15.7813 16.7648 16.7648 k = 0.0000 0.4205-0.0000 ( 2577 PWs) bands (ev): -36.9795 -36.9795 -36.9690 -36.9690 -16.3352 -16.3352 -16.2789 -16.2789 -14.7448 -14.7448 -14.6606 -14.6606 -14.4845 -14.4845 -14.4196 -14.4196 -5.8314 -5.8314 -5.5575 -5.5575 -5.1812 -5.1812 -5.0789 -5.0789 6.4800 6.4800 6.5109 6.5109 7.3377 7.3377 7.6004 7.6004 8.0660 8.0660 8.3065 8.3065 8.4299 8.4299 8.8064 8.8064 8.8485 8.8485 9.5162 9.5162 10.3694 10.3694 10.4993 10.4993 14.9287 14.9287 14.9761 14.9761 15.7167 15.7167 15.7848 15.7848 16.7630 16.7630 k = 0.0000 0.4318-0.0000 ( 2581 PWs) bands (ev): -36.9785 -36.9785 -36.9696 -36.9696 -16.3328 -16.3328 -16.2844 -16.2844 -14.7416 -14.7416 -14.6693 -14.6693 -14.4803 -14.4803 -14.4242 -14.4242 -5.8047 -5.8047 -5.5703 -5.5703 -5.1759 -5.1759 -5.0867 -5.0867 6.4935 6.4935 6.5154 6.5154 7.3871 7.3871 7.6382 7.6382 8.0133 8.0133 8.2559 8.2559 8.4492 8.4492 8.8048 8.8048 8.8725 8.8725 9.4777 9.4777 10.3800 10.3800 10.4931 10.4931 14.9180 14.9180 14.9591 14.9591 15.7314 15.7314 15.7875 15.7875 16.7669 16.7669 k = 0.0000 0.4432-0.0000 ( 2577 PWs) bands (ev): -36.9776 -36.9776 -36.9701 -36.9701 -16.3301 -16.3301 -16.2898 -16.2898 -14.7379 -14.7379 -14.6777 -14.6777 -14.4759 -14.4759 -14.4288 -14.4288 -5.7790 -5.7790 -5.5841 -5.5841 -5.1701 -5.1701 -5.0945 -5.0945 6.5043 6.5043 6.5192 6.5192 7.4372 7.4372 7.6802 7.6802 7.9604 7.9604 8.2037 8.2037 8.4703 8.4703 8.7671 8.7671 8.9324 8.9324 9.4373 9.4373 10.3908 10.3908 10.4863 10.4863 14.9093 14.9093 14.9440 14.9440 15.7443 15.7443 15.7895 15.7895 16.7767 16.7767 k = 0.0000 0.4545-0.0000 ( 2575 PWs) bands (ev): -36.9767 -36.9767 -36.9707 -36.9707 -16.3273 -16.3273 -16.2949 -16.2949 -14.7339 -14.7339 -14.6857 -14.6857 -14.4714 -14.4714 -14.4335 -14.4335 -5.7545 -5.7545 -5.5989 -5.5989 -5.1637 -5.1637 -5.1025 -5.1025 6.5125 6.5125 6.5223 6.5223 7.4879 7.4879 7.7258 7.7258 7.9074 7.9074 8.1504 8.1504 8.4930 8.4930 8.7304 8.7304 8.9911 8.9911 9.3951 9.3951 10.4016 10.4016 10.4789 10.4789 14.9026 14.9026 14.9307 14.9307 15.7555 15.7555 15.7905 15.7905 16.7922 16.7922 k = 0.0000 0.4659-0.0000 ( 2571 PWs) bands (ev): -36.9758 -36.9758 -36.9713 -36.9713 -16.3241 -16.3241 -16.2998 -16.2998 -14.7294 -14.7294 -14.6932 -14.6932 -14.4668 -14.4668 -14.4383 -14.4383 -5.7312 -5.7312 -5.6146 -5.6146 -5.1569 -5.1569 -5.1105 -5.1105 6.5187 6.5187 6.5248 6.5248 7.5391 7.5391 7.7743 7.7743 7.8544 7.8544 8.0962 8.0962 8.5172 8.5172 8.6952 8.6952 9.0480 9.0480 9.3510 9.3510 10.4124 10.4124 10.4709 10.4709 14.8981 14.8981 14.9194 14.9194 15.7649 15.7649 15.7906 15.7906 16.8133 16.8133 k = 0.0000 0.4773-0.0000 ( 2569 PWs) bands (ev): -36.9750 -36.9750 -36.9719 -36.9719 -16.3207 -16.3207 -16.3045 -16.3045 -14.7245 -14.7245 -14.7003 -14.7003 -14.4622 -14.4622 -14.4431 -14.4431 -5.7090 -5.7090 -5.6314 -5.6314 -5.1497 -5.1497 -5.1185 -5.1185 6.5229 6.5229 6.5264 6.5264 7.5908 7.5908 7.8006 7.8006 7.8259 7.8259 8.0415 8.0415 8.5429 8.5429 8.6616 8.6616 9.1031 9.1031 9.3051 9.3051 10.4231 10.4231 10.4623 10.4623 14.8959 14.8959 14.9102 14.9102 15.7727 15.7727 15.7896 15.7896 16.8398 16.8398 k = 0.0000 0.4886-0.0000 ( 2568 PWs) bands (ev): -36.9741 -36.9741 -36.9726 -36.9726 -16.3170 -16.3170 -16.3089 -16.3089 -14.7191 -14.7191 -14.7070 -14.7070 -14.4574 -14.4574 -14.4479 -14.4479 -5.6880 -5.6880 -5.6492 -5.6492 -5.1422 -5.1422 -5.1265 -5.1265 6.5256 6.5256 6.5272 6.5272 7.6430 7.6430 7.7481 7.7481 7.8782 7.8782 7.9867 7.9867 8.5703 8.5703 8.6296 8.6296 9.1564 9.1564 9.2573 9.2573 10.4334 10.4334 10.4531 10.4531 14.8960 14.8960 14.9032 14.9032 15.7790 15.7790 15.7873 15.7873 16.8716 16.8716 k = 0.0000 0.5000-0.0000 ( 2568 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3131 -16.3131 -16.3131 -16.3131 -14.7133 -14.7133 -14.7133 -14.7133 -14.4527 -14.4527 -14.4527 -14.4527 -5.6680 -5.6680 -5.6680 -5.6680 -5.1345 -5.1345 -5.1345 -5.1345 6.5270 6.5270 6.5270 6.5270 7.6954 7.6954 7.6954 7.6954 7.9321 7.9321 7.9321 7.9321 8.5991 8.5991 8.5991 8.5991 9.2078 9.2078 9.2078 9.2078 10.4435 10.4435 10.4435 10.4435 14.8984 14.8984 14.8984 14.8984 15.7839 15.7839 15.7839 15.7839 16.9084 16.9084 k = 0.0000 0.5000-0.0000 ( 2568 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3131 -16.3131 -16.3131 -16.3131 -14.7133 -14.7133 -14.7133 -14.7133 -14.4527 -14.4527 -14.4527 -14.4527 -5.6680 -5.6680 -5.6680 -5.6680 -5.1345 -5.1345 -5.1345 -5.1345 6.5270 6.5270 6.5270 6.5270 7.6954 7.6954 7.6954 7.6954 7.9321 7.9321 7.9321 7.9321 8.5991 8.5991 8.5991 8.5991 9.2078 9.2078 9.2078 9.2078 10.4435 10.4435 10.4435 10.4435 14.8984 14.8984 14.8984 14.8984 15.7839 15.7839 15.7839 15.7839 16.9084 16.9084 k = 0.0114 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3146 -16.3146 -16.3119 -16.3119 -14.7148 -14.7148 -14.7118 -14.7118 -14.4566 -14.4566 -14.4492 -14.4492 -5.6688 -5.6688 -5.6655 -5.6655 -5.1348 -5.1348 -5.1347 -5.1347 6.5275 6.5275 6.5281 6.5281 7.6934 7.6934 7.6960 7.6960 7.9234 7.9234 7.9278 7.9278 8.5998 8.5998 8.6081 8.6081 9.2083 9.2083 9.2125 9.2125 10.4426 10.4426 10.4440 10.4440 14.8996 14.8996 14.8996 14.8996 15.7825 15.7825 15.7840 15.7840 16.9076 16.9076 k = 0.0227 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3161 -16.3161 -16.3108 -16.3108 -14.7165 -14.7165 -14.7104 -14.7104 -14.4610 -14.4610 -14.4462 -14.4462 -5.6678 -5.6678 -5.6613 -5.6613 -5.1357 -5.1357 -5.1355 -5.1355 6.5296 6.5296 6.5308 6.5308 7.6899 7.6899 7.6950 7.6950 7.9031 7.9031 7.9110 7.9110 8.6097 8.6097 8.6256 8.6256 9.2142 9.2142 9.2223 9.2223 10.4415 10.4415 10.4443 10.4443 14.9032 14.9032 14.9032 14.9032 15.7798 15.7798 15.7830 15.7830 16.9073 16.9073 k = 0.0341 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3179 -16.3179 -16.3099 -16.3099 -14.7182 -14.7182 -14.7091 -14.7091 -14.4659 -14.4659 -14.4438 -14.4438 -5.6652 -5.6652 -5.6554 -5.6554 -5.1372 -5.1372 -5.1368 -5.1368 6.5333 6.5333 6.5350 6.5350 7.6842 7.6842 7.6913 7.6913 7.8741 7.8741 7.8844 7.8844 8.6275 8.6275 8.6497 8.6497 9.2253 9.2253 9.2371 9.2371 10.4401 10.4401 10.4442 10.4442 14.9092 14.9092 14.9092 14.9092 15.7761 15.7761 15.7808 15.7808 16.9074 16.9074 k = 0.0455 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9731 -36.9731 -36.9731 -36.9731 -16.3198 -16.3198 -16.3092 -16.3092 -14.7200 -14.7200 -14.7079 -14.7079 -14.4712 -14.4712 -14.4418 -14.4418 -5.6608 -5.6608 -5.6478 -5.6478 -5.1393 -5.1393 -5.1387 -5.1387 6.5386 6.5386 6.5408 6.5408 7.6746 7.6746 7.6829 7.6829 7.8409 7.8409 7.8517 7.8517 8.6512 8.6512 8.6783 8.6783 9.2415 9.2415 9.2566 9.2566 10.4383 10.4383 10.4438 10.4438 14.9175 14.9175 14.9175 14.9175 15.7712 15.7712 15.7774 15.7774 16.9079 16.9079 k = 0.0568 0.5000-0.0000 ( 2574 PWs) bands (ev): -36.9730 -36.9730 -36.9730 -36.9730 -16.3218 -16.3218 -16.3087 -16.3087 -14.7219 -14.7219 -14.7068 -14.7068 -14.4769 -14.4769 -14.4404 -14.4404 -5.6548 -5.6548 -5.6385 -5.6385 -5.1419 -5.1419 -5.1411 -5.1411 6.5452 6.5452 6.5479 6.5479 7.6582 7.6582 7.6657 7.6657 7.8097 7.8097 7.8183 7.8183 8.6786 8.6786 8.7093 8.7093 9.2626 9.2626 9.2802 9.2802 10.4362 10.4362 10.4430 10.4430 14.9281 14.9281 14.9281 14.9281 15.7653 15.7653 15.7728 15.7728 16.9089 16.9089 k = 0.0682 0.5000-0.0000 ( 2574 PWs) bands (ev): -36.9728 -36.9728 -36.9728 -36.9728 -16.3240 -16.3240 -16.3084 -16.3084 -14.7238 -14.7238 -14.7059 -14.7059 -14.4828 -14.4828 -14.4395 -14.4395 -5.6471 -5.6471 -5.6277 -5.6277 -5.1451 -5.1451 -5.1440 -5.1440 6.5533 6.5533 6.5564 6.5564 7.6310 7.6310 7.6355 7.6355 7.7869 7.7869 7.7904 7.7904 8.7084 8.7084 8.7416 8.7416 9.2880 9.2880 9.3077 9.3077 10.4337 10.4337 10.4418 10.4418 14.9408 14.9408 14.9408 14.9408 15.7584 15.7584 15.7673 15.7673 16.9102 16.9102 k = 0.0795 0.5000-0.0000 ( 2574 PWs) bands (ev): -36.9726 -36.9726 -36.9726 -36.9726 -16.3263 -16.3263 -16.3083 -16.3083 -14.7258 -14.7258 -14.7052 -14.7052 -14.4891 -14.4891 -14.4390 -14.4390 -5.6380 -5.6380 -5.6153 -5.6153 -5.1488 -5.1488 -5.1473 -5.1473 6.5625 6.5625 6.5660 6.5660 7.5914 7.5914 7.5920 7.5920 7.7715 7.7715 7.7741 7.7741 8.7394 8.7394 8.7740 8.7740 9.3174 9.3174 9.3385 9.3385 10.4307 10.4307 10.4400 10.4400 14.9554 14.9554 14.9556 14.9556 15.7507 15.7507 15.7608 15.7608 16.9119 16.9119 k = 0.0909 0.5000-0.0000 ( 2572 PWs) bands (ev): -36.9723 -36.9723 -36.9723 -36.9723 -16.3288 -16.3288 -16.3083 -16.3083 -14.7280 -14.7280 -14.7046 -14.7046 -14.4955 -14.4955 -14.4390 -14.4390 -5.6274 -5.6274 -5.6015 -5.6015 -5.1529 -5.1529 -5.1509 -5.1509 6.5726 6.5726 6.5764 6.5764 7.5395 7.5395 7.5416 7.5416 7.7607 7.7607 7.7685 7.7685 8.7708 8.7708 8.8061 8.8061 9.3501 9.3501 9.3720 9.3720 10.4272 10.4272 10.4378 10.4378 14.9720 14.9720 14.9723 14.9723 15.7422 15.7422 15.7535 15.7535 16.9140 16.9140 k = 0.1023 0.5000-0.0000 ( 2564 PWs) bands (ev): -36.9720 -36.9720 -36.9720 -36.9720 -16.3313 -16.3313 -16.3086 -16.3086 -14.7302 -14.7302 -14.7043 -14.7043 -14.5020 -14.5020 -14.4395 -14.4395 -5.6154 -5.6154 -5.5864 -5.5864 -5.1576 -5.1576 -5.1549 -5.1549 6.5834 6.5834 6.5874 6.5874 7.4821 7.4821 7.4857 7.4857 7.7553 7.7553 7.7671 7.7671 8.8022 8.8022 8.8376 8.8376 9.3855 9.3855 9.4077 9.4077 10.4231 10.4231 10.4349 10.4349 14.9902 14.9902 14.9907 14.9907 15.7332 15.7332 15.7455 15.7455 16.9164 16.9164 k = 0.1136 0.5000-0.0000 ( 2568 PWs) bands (ev): -36.9717 -36.9717 -36.9717 -36.9717 -16.3339 -16.3339 -16.3092 -16.3092 -14.7325 -14.7325 -14.7043 -14.7043 -14.5086 -14.5086 -14.4403 -14.4403 -5.6022 -5.6022 -5.5700 -5.5700 -5.1626 -5.1626 -5.1592 -5.1592 6.5943 6.5943 6.5984 6.5984 7.4228 7.4228 7.4269 7.4269 7.7533 7.7533 7.7684 7.7684 8.8334 8.8334 8.8684 8.8684 9.4229 9.4229 9.4450 9.4450 10.4184 10.4184 10.4313 10.4313 15.0100 15.0100 15.0107 15.0107 15.7236 15.7236 15.7369 15.7369 16.9190 16.9190 k = 0.1250 0.5000-0.0000 ( 2566 PWs) bands (ev): -36.9713 -36.9713 -36.9713 -36.9713 -16.3367 -16.3367 -16.3099 -16.3099 -14.7349 -14.7349 -14.7046 -14.7046 -14.5151 -14.5151 -14.4415 -14.4415 -5.5879 -5.5879 -5.5524 -5.5524 -5.1681 -5.1681 -5.1636 -5.1636 6.6047 6.6047 6.6088 6.6088 7.3636 7.3636 7.3678 7.3678 7.7536 7.7536 7.7713 7.7713 8.8642 8.8642 8.8985 8.8985 9.4617 9.4617 9.4834 9.4834 10.4129 10.4129 10.4269 10.4269 15.0311 15.0311 15.0321 15.0321 15.7138 15.7138 15.7279 15.7279 16.9218 16.9218 k = 0.1364 0.5000-0.0000 ( 2566 PWs) bands (ev): -36.9710 -36.9710 -36.9710 -36.9710 -16.3395 -16.3395 -16.3108 -16.3108 -14.7374 -14.7374 -14.7052 -14.7052 -14.5214 -14.5214 -14.4431 -14.4431 -5.5726 -5.5726 -5.5339 -5.5339 -5.1738 -5.1738 -5.1681 -5.1681 6.6137 6.6137 6.6176 6.6176 7.3065 7.3065 7.3102 7.3102 7.7555 7.7555 7.7754 7.7754 8.8946 8.8946 8.9281 8.9281 9.5013 9.5013 9.5224 9.5224 10.4067 10.4067 10.4217 10.4217 15.0533 15.0533 15.0547 15.0547 15.7037 15.7037 15.7186 15.7186 16.9247 16.9247 k = 0.1477 0.5000-0.0000 ( 2570 PWs) bands (ev): -36.9706 -36.9706 -36.9706 -36.9706 -16.3424 -16.3424 -16.3120 -16.3120 -14.7400 -14.7400 -14.7063 -14.7063 -14.5276 -14.5276 -14.4449 -14.4449 -5.5565 -5.5565 -5.5144 -5.5144 -5.1797 -5.1797 -5.1726 -5.1726 6.6199 6.6199 6.6235 6.6235 7.2533 7.2533 7.2564 7.2564 7.7587 7.7587 7.7806 7.7806 8.9246 8.9246 8.9570 8.9570 9.5412 9.5412 9.5615 9.5615 10.3996 10.3996 10.4155 10.4155 15.0764 15.0764 15.0781 15.0781 15.6936 15.6936 15.7091 15.7091 16.9277 16.9277 k = 0.1591 0.5000-0.0000 ( 2566 PWs) bands (ev): -36.9702 -36.9702 -36.9702 -36.9702 -16.3453 -16.3453 -16.3133 -16.3133 -14.7428 -14.7428 -14.7079 -14.7079 -14.5334 -14.5334 -14.4470 -14.4470 -5.5398 -5.5398 -5.4943 -5.4943 -5.1857 -5.1857 -5.1770 -5.1770 6.6218 6.6218 6.6247 6.6247 7.2063 7.2063 7.2085 7.2085 7.7629 7.7629 7.7866 7.7866 8.9541 8.9541 8.9855 8.9855 9.5810 9.5810 9.6004 9.6004 10.3915 10.3915 10.4084 10.4084 15.1002 15.1002 15.1023 15.1023 15.6836 15.6836 15.6997 15.6997 16.9308 16.9308 k = 0.1705 0.5000-0.0000 ( 2570 PWs) bands (ev): -36.9698 -36.9698 -36.9698 -36.9698 -16.3483 -16.3483 -16.3149 -16.3149 -14.7457 -14.7457 -14.7099 -14.7099 -14.5387 -14.5387 -14.4494 -14.4494 -5.5227 -5.5227 -5.4738 -5.4738 -5.1917 -5.1917 -5.1810 -5.1810 6.6172 6.6172 6.6194 6.6194 7.1678 7.1678 7.1690 7.1690 7.7680 7.7680 7.7934 7.7934 8.9831 8.9831 9.0135 9.0135 9.6203 9.6203 9.6388 9.6388 10.3825 10.3825 10.4002 10.4002 15.1245 15.1245 15.1270 15.1270 15.6738 15.6738 15.6904 15.6904 16.9337 16.9337 k = 0.1818 0.5000-0.0000 ( 2570 PWs) bands (ev): -36.9694 -36.9694 -36.9694 -36.9694 -16.3513 -16.3513 -16.3167 -16.3167 -14.7487 -14.7487 -14.7125 -14.7125 -14.5436 -14.5436 -14.4519 -14.4519 -5.5055 -5.5055 -5.4530 -5.4530 -5.1974 -5.1974 -5.1845 -5.1845 6.6043 6.6043 6.6056 6.6056 7.1400 7.1400 7.1402 7.1402 7.7740 7.7740 7.8009 7.8009 9.0117 9.0117 9.0411 9.0411 9.6588 9.6588 9.6764 9.6764 10.3724 10.3724 10.3908 10.3908 15.1489 15.1489 15.1519 15.1519 15.6644 15.6644 15.6815 15.6815 16.9365 16.9365 k = 0.1932 0.5000-0.0000 ( 2570 PWs) bands (ev): -36.9689 -36.9689 -36.9689 -36.9689 -16.3544 -16.3544 -16.3186 -16.3186 -14.7518 -14.7518 -14.7156 -14.7156 -14.5479 -14.5479 -14.4546 -14.4546 -5.4884 -5.4884 -5.4323 -5.4323 -5.2027 -5.2027 -5.1873 -5.1873 6.5818 6.5818 6.5823 6.5823 7.1235 7.1235 7.1242 7.1242 7.7807 7.7807 7.8090 7.8090 9.0398 9.0398 9.0683 9.0683 9.6961 9.6961 9.7129 9.7129 10.3612 10.3612 10.3803 10.3803 15.1734 15.1734 15.1769 15.1769 15.6557 15.6557 15.6731 15.6731 16.9389 16.9389 k = 0.2045 0.5000-0.0000 ( 2562 PWs) bands (ev): -36.9684 -36.9684 -36.9684 -36.9684 -16.3575 -16.3575 -16.3208 -16.3208 -14.7550 -14.7550 -14.7193 -14.7193 -14.5516 -14.5516 -14.4574 -14.4574 -5.4719 -5.4719 -5.4122 -5.4122 -5.2072 -5.2072 -5.1890 -5.1890 6.5496 6.5496 6.5499 6.5499 7.1190 7.1190 7.1204 7.1204 7.7882 7.7882 7.8178 7.8178 9.0674 9.0674 9.0950 9.0950 9.7322 9.7322 9.7481 9.7481 10.3488 10.3488 10.3685 10.3685 15.1976 15.1976 15.2016 15.2016 15.6476 15.6476 15.6654 15.6654 16.9409 16.9409 k = 0.2159 0.5000-0.0000 ( 2558 PWs) bands (ev): -36.9679 -36.9679 -36.9679 -36.9679 -16.3605 -16.3605 -16.3232 -16.3232 -14.7584 -14.7584 -14.7235 -14.7235 -14.5547 -14.5547 -14.4603 -14.4603 -5.4563 -5.4563 -5.3932 -5.3932 -5.2103 -5.2103 -5.1894 -5.1894 6.5091 6.5091 6.5098 6.5098 7.1256 7.1256 7.1272 7.1272 7.7962 7.7962 7.8271 7.8271 9.0945 9.0945 9.1212 9.1212 9.7667 9.7667 9.7818 9.7818 10.3352 10.3352 10.3554 10.3554 15.2215 15.2215 15.2259 15.2259 15.6405 15.6405 15.6586 15.6586 16.9423 16.9423 k = 0.2273 0.5000-0.0000 ( 2562 PWs) bands (ev): -36.9674 -36.9674 -36.9674 -36.9674 -16.3636 -16.3636 -16.3257 -16.3257 -14.7619 -14.7619 -14.7282 -14.7282 -14.5572 -14.5572 -14.4632 -14.4632 -5.4420 -5.4420 -5.3762 -5.3762 -5.2113 -5.2113 -5.1882 -5.1882 6.4625 6.4625 6.4635 6.4635 7.1415 7.1415 7.1430 7.1430 7.8048 7.8048 7.8370 7.8370 9.1209 9.1209 9.1469 9.1469 9.7995 9.7995 9.8140 9.8140 10.3205 10.3205 10.3410 10.3410 15.2448 15.2448 15.2496 15.2496 15.6343 15.6343 15.6527 15.6527 16.9428 16.9428 k = 0.2386 0.5000-0.0000 ( 2560 PWs) bands (ev): -36.9669 -36.9669 -36.9669 -36.9669 -16.3666 -16.3666 -16.3284 -16.3284 -14.7654 -14.7654 -14.7333 -14.7333 -14.5590 -14.5590 -14.4662 -14.4662 -5.4295 -5.4295 -5.3620 -5.3620 -5.2095 -5.2095 -5.1849 -5.1849 6.4119 6.4119 6.4130 6.4130 7.1647 7.1647 7.1659 7.1659 7.8140 7.8140 7.8473 7.8473 9.1468 9.1468 9.1720 9.1720 9.8305 9.8305 9.8444 9.8444 10.3045 10.3045 10.3252 10.3252 15.2674 15.2674 15.2726 15.2726 15.6294 15.6294 15.6481 15.6481 16.9425 16.9425 k = 0.2500 0.5000-0.0000 ( 2560 PWs) bands (ev): -36.9665 -36.9665 -36.9665 -36.9665 -16.3696 -16.3696 -16.3312 -16.3312 -14.7691 -14.7691 -14.7388 -14.7388 -14.5603 -14.5603 -14.4692 -14.4692 -5.4191 -5.4191 -5.3516 -5.3516 -5.2039 -5.2039 -5.1793 -5.1793 6.3589 6.3589 6.3599 6.3599 7.1938 7.1938 7.1943 7.1943 7.8236 7.8236 7.8581 7.8581 9.1721 9.1721 9.1966 9.1966 9.8595 9.8595 9.8729 9.8729 10.2873 10.2873 10.3082 10.3082 15.2892 15.2892 15.2947 15.2947 15.6258 15.6258 15.6448 15.6448 16.9409 16.9409 k = 0.2614 0.5000-0.0000 ( 2564 PWs) bands (ev): -36.9660 -36.9660 -36.9660 -36.9660 -16.3725 -16.3725 -16.3342 -16.3342 -14.7728 -14.7728 -14.7446 -14.7446 -14.5610 -14.5610 -14.4722 -14.4722 -5.4111 -5.4111 -5.3453 -5.3453 -5.1944 -5.1944 -5.1714 -5.1714 6.3046 6.3046 6.3056 6.3056 7.2269 7.2269 7.2275 7.2275 7.8336 7.8336 7.8693 7.8693 9.1967 9.1967 9.2206 9.2206 9.8864 9.8864 9.8995 9.8995 10.2689 10.2689 10.2898 10.2898 15.3100 15.3100 15.3158 15.3158 15.6237 15.6237 15.6431 15.6431 16.9380 16.9380 k = 0.2727 0.5000-0.0000 ( 2568 PWs) bands (ev): -36.9655 -36.9655 -36.9655 -36.9655 -16.3754 -16.3754 -16.3373 -16.3373 -14.7766 -14.7766 -14.7506 -14.7506 -14.5613 -14.5613 -14.4751 -14.4751 -5.4053 -5.4053 -5.3429 -5.3429 -5.1811 -5.1811 -5.1611 -5.1611 6.2501 6.2501 6.2510 6.2510 7.2630 7.2630 7.2647 7.2647 7.8439 7.8439 7.8809 7.8809 9.2206 9.2206 9.2440 9.2440 9.9111 9.9111 9.9241 9.9241 10.2494 10.2494 10.2701 10.2701 15.3298 15.3298 15.3357 15.3357 15.6232 15.6232 15.6429 15.6429 16.9334 16.9334 k = 0.2841 0.5000-0.0000 ( 2572 PWs) bands (ev): -36.9650 -36.9650 -36.9650 -36.9650 -16.3781 -16.3781 -16.3405 -16.3405 -14.7804 -14.7804 -14.7567 -14.7567 -14.5611 -14.5611 -14.4780 -14.4780 -5.4017 -5.4017 -5.3436 -5.3436 -5.1651 -5.1651 -5.1487 -5.1487 6.1960 6.1960 6.1968 6.1968 7.3017 7.3017 7.3049 7.3049 7.8544 7.8544 7.8928 7.8928 9.2438 9.2438 9.2666 9.2666 9.9336 9.9336 9.9466 9.9466 10.2289 10.2289 10.2491 10.2491 15.3486 15.3486 15.3546 15.3546 15.6243 15.6243 15.6445 15.6445 16.9270 16.9270 k = 0.2955 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9646 -36.9646 -36.9646 -36.9646 -16.3808 -16.3808 -16.3438 -16.3438 -14.7843 -14.7843 -14.7629 -14.7629 -14.5605 -14.5605 -14.4809 -14.4809 -5.4000 -5.4000 -5.3466 -5.3466 -5.1471 -5.1471 -5.1345 -5.1345 6.1430 6.1430 6.1436 6.1436 7.3424 7.3424 7.3473 7.3473 7.8651 7.8651 7.9049 7.9049 9.2663 9.2663 9.2886 9.2886 9.9536 9.9536 9.9668 9.9668 10.2075 10.2075 10.2271 10.2271 15.3663 15.3663 15.3723 15.3723 15.6274 15.6274 15.6478 15.6478 16.9186 16.9186 k = 0.3068 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9641 -36.9641 -36.9641 -36.9641 -16.3833 -16.3833 -16.3472 -16.3472 -14.7881 -14.7881 -14.7690 -14.7690 -14.5596 -14.5596 -14.4837 -14.4837 -5.4000 -5.4000 -5.3511 -5.3511 -5.1280 -5.1280 -5.1190 -5.1190 6.0913 6.0913 6.0918 6.0918 7.3847 7.3847 7.3915 7.3915 7.8760 7.8760 7.9172 7.9172 9.2881 9.2881 9.3098 9.3098 9.9710 9.9710 9.9849 9.9849 10.1855 10.1855 10.2040 10.2040 15.3830 15.3830 15.3888 15.3888 15.6323 15.6323 15.6531 15.6531 16.9079 16.9079 k = 0.3182 0.5000-0.0000 ( 2580 PWs) bands (ev): -36.9637 -36.9637 -36.9637 -36.9637 -16.3857 -16.3857 -16.3506 -16.3506 -14.7919 -14.7919 -14.7750 -14.7750 -14.5585 -14.5585 -14.4864 -14.4864 -5.4011 -5.4011 -5.3566 -5.3566 -5.1084 -5.1084 -5.1026 -5.1026 6.0414 6.0414 6.0417 6.0417 7.4280 7.4280 7.4370 7.4370 7.8868 7.8868 7.9295 7.9295 9.3091 9.3091 9.3303 9.3303 9.9855 9.9855 10.0005 10.0005 10.1633 10.1633 10.1802 10.1802 15.3985 15.3985 15.4042 15.4042 15.6392 15.6392 15.6603 15.6603 16.8948 16.8948 k = 0.3295 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9632 -36.9632 -36.9632 -36.9632 -16.3880 -16.3880 -16.3540 -16.3540 -14.7956 -14.7956 -14.7809 -14.7809 -14.5571 -14.5571 -14.4891 -14.4891 -5.4031 -5.4031 -5.3627 -5.3627 -5.0888 -5.0888 -5.0856 -5.0856 5.9935 5.9935 5.9937 5.9937 7.4719 7.4719 7.4834 7.4834 7.8976 7.8976 7.9420 7.9420 9.3294 9.3294 9.3500 9.3500 9.9966 9.9966 10.0135 10.0135 10.1415 10.1415 10.1560 10.1560 15.4130 15.4130 15.4185 15.4185 15.6481 15.6481 15.6695 15.6695 16.8790 16.8790 k = 0.3409 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9628 -36.9628 -36.9628 -36.9628 -16.3900 -16.3900 -16.3575 -16.3575 -14.7993 -14.7993 -14.7865 -14.7865 -14.5554 -14.5554 -14.4917 -14.4917 -5.4058 -5.4058 -5.3691 -5.3691 -5.0696 -5.0696 -5.0685 -5.0685 5.9479 5.9479 5.9480 5.9480 7.5160 7.5160 7.5302 7.5302 7.9083 7.9083 7.9545 7.9545 9.3489 9.3489 9.3690 9.3690 10.0033 10.0033 10.0233 10.0233 10.1214 10.1214 10.1323 10.1323 15.4265 15.4265 15.4317 15.4317 15.6590 15.6590 15.6806 15.6806 16.8604 16.8604 k = 0.3523 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9624 -36.9624 -36.9624 -36.9624 -16.3919 -16.3919 -16.3609 -16.3609 -14.8029 -14.8029 -14.7919 -14.7919 -14.5537 -14.5537 -14.4943 -14.4943 -5.4089 -5.4089 -5.3756 -5.3756 -5.0515 -5.0515 -5.0509 -5.0509 5.9047 5.9047 5.9047 5.9047 7.5598 7.5598 7.5771 7.5771 7.9187 7.9187 7.9668 7.9668 9.3677 9.3677 9.3872 9.3872 10.0039 10.0039 10.0284 10.0284 10.1048 10.1048 10.1106 10.1106 15.4389 15.4389 15.4439 15.4439 15.6720 15.6720 15.6937 15.6937 16.8389 16.8389 k = 0.3636 0.5000-0.0000 ( 2580 PWs) bands (ev): -36.9620 -36.9620 -36.9620 -36.9620 -16.3936 -16.3936 -16.3644 -16.3644 -14.8063 -14.8063 -14.7970 -14.7970 -14.5517 -14.5517 -14.4968 -14.4968 -5.4122 -5.4122 -5.3820 -5.3820 -5.0348 -5.0348 -5.0331 -5.0331 5.8641 5.8641 5.8641 5.8641 7.6029 7.6029 7.6234 7.6234 7.9290 7.9290 7.9791 7.9791 9.3857 9.3857 9.4046 9.4046 9.9969 9.9969 10.0259 10.0259 10.0938 10.0938 10.0942 10.0942 15.4503 15.4503 15.4550 15.4550 15.6870 15.6870 15.7085 15.7085 16.8145 16.8145 k = 0.3750 0.5000-0.0000 ( 2576 PWs) bands (ev): -36.9616 -36.9616 -36.9616 -36.9616 -16.3951 -16.3951 -16.3677 -16.3677 -14.8096 -14.8096 -14.8018 -14.8018 -14.5497 -14.5497 -14.4992 -14.4992 -5.4155 -5.4155 -5.3884 -5.3884 -5.0188 -5.0188 -5.0161 -5.0161 5.8262 5.8262 5.8264 5.8264 7.6448 7.6448 7.6689 7.6689 7.9390 7.9390 7.9911 7.9911 9.4030 9.4030 9.4212 9.4212 9.9822 9.9822 10.0130 10.0130 10.0864 10.0864 10.0885 10.0885 15.4607 15.4607 15.4652 15.4652 15.7039 15.7039 15.7251 15.7251 16.7873 16.7873 k = 0.3864 0.5000-0.0000 ( 2572 PWs) bands (ev): -36.9613 -36.9613 -36.9613 -36.9613 -16.3964 -16.3964 -16.3710 -16.3710 -14.8127 -14.8127 -14.8062 -14.8062 -14.5476 -14.5476 -14.5016 -14.5016 -5.4188 -5.4188 -5.3945 -5.3945 -5.0036 -5.0036 -5.0003 -5.0003 5.7913 5.7913 5.7915 5.7915 7.6851 7.6851 7.7128 7.7128 7.9487 7.9487 8.0029 8.0029 9.4195 9.4195 9.4370 9.4370 9.9623 9.9623 9.9922 9.9922 10.0849 10.0849 10.0872 10.0872 15.4701 15.4701 15.4744 15.4744 15.7225 15.7225 15.7433 15.7433 16.7577 16.7577 k = 0.3977 0.5000-0.0000 ( 2580 PWs) bands (ev): -36.9610 -36.9610 -36.9610 -36.9610 -16.3974 -16.3974 -16.3742 -16.3742 -14.8155 -14.8155 -14.8103 -14.8103 -14.5454 -14.5454 -14.5040 -14.5040 -5.4219 -5.4219 -5.4003 -5.4003 -4.9894 -4.9894 -4.9858 -4.9858 5.7594 5.7594 5.7596 5.7596 7.7233 7.7233 7.7546 7.7546 7.9582 7.9582 8.0143 8.0143 9.4352 9.4352 9.4519 9.4519 9.9397 9.9397 9.9677 9.9677 10.0860 10.0860 10.0876 10.0876 15.4786 15.4786 15.4826 15.4826 15.7425 15.7425 15.7627 15.7627 16.7263 16.7263 k = 0.4091 0.5000-0.0000 ( 2580 PWs) bands (ev): -36.9607 -36.9607 -36.9607 -36.9607 -16.3982 -16.3982 -16.3773 -16.3773 -14.8182 -14.8182 -14.8140 -14.8140 -14.5431 -14.5431 -14.5063 -14.5063 -5.4248 -5.4248 -5.4058 -5.4058 -4.9762 -4.9762 -4.9725 -4.9725 5.7306 5.7306 5.7308 5.7308 7.7588 7.7588 7.7935 7.7935 7.9678 7.9678 8.0251 8.0251 9.4501 9.4501 9.4659 9.4659 9.9161 9.9161 9.9420 9.9420 10.0877 10.0877 10.0886 10.0886 15.4862 15.4862 15.4899 15.4899 15.7637 15.7637 15.7831 15.7831 16.6937 16.6937 k = 0.4205 0.5000-0.0000 ( 2584 PWs) bands (ev): -36.9605 -36.9605 -36.9605 -36.9605 -16.3988 -16.3988 -16.3802 -16.3802 -14.8206 -14.8206 -14.8172 -14.8172 -14.5409 -14.5409 -14.5086 -14.5086 -5.4273 -5.4273 -5.4108 -5.4108 -4.9643 -4.9643 -4.9607 -4.9607 5.7050 5.7050 5.7052 5.7052 7.7914 7.7914 7.8286 7.8286 7.9776 7.9776 8.0352 8.0352 9.4641 9.4641 9.4789 9.4789 9.8927 9.8927 9.9164 9.9164 10.0893 10.0893 10.0897 10.0897 15.4928 15.4928 15.4963 15.4963 15.7857 15.7857 15.8039 15.8039 16.6608 16.6608 k = 0.4318 0.5000-0.0000 ( 2592 PWs) bands (ev): -36.9603 -36.9603 -36.9603 -36.9603 -16.3991 -16.3991 -16.3830 -16.3830 -14.8227 -14.8227 -14.8201 -14.8201 -14.5386 -14.5386 -14.5109 -14.5109 -5.4294 -5.4294 -5.4154 -5.4154 -4.9537 -4.9537 -4.9503 -4.9503 5.6826 5.6826 5.6828 5.6828 7.8206 7.8206 7.8589 7.8589 7.9880 7.9880 8.0444 8.0444 9.4773 9.4773 9.4909 9.4909 9.8704 9.8704 9.8918 9.8918 10.0906 10.0906 10.0907 10.0907 15.4986 15.4986 15.5017 15.5017 15.8078 15.8078 15.8247 15.8247 16.6288 16.6288 k = 0.4432 0.5000-0.0000 ( 2584 PWs) bands (ev): -36.9601 -36.9601 -36.9601 -36.9601 -16.3991 -16.3991 -16.3856 -16.3856 -14.8245 -14.8245 -14.8225 -14.8225 -14.5362 -14.5362 -14.5132 -14.5132 -5.4311 -5.4311 -5.4195 -5.4195 -4.9445 -4.9445 -4.9415 -4.9415 5.6636 5.6636 5.6638 5.6638 7.8462 7.8462 7.8834 7.8834 7.9996 7.9996 8.0523 8.0523 9.4894 9.4894 9.5016 9.5016 9.8500 9.8500 9.8688 9.8688 10.0913 10.0913 10.0915 10.0915 15.5036 15.5036 15.5062 15.5062 15.8295 15.8295 15.8446 15.8446 16.5987 16.5987 k = 0.4545 0.5000-0.0000 ( 2586 PWs) bands (ev): -36.9599 -36.9599 -36.9599 -36.9599 -16.3989 -16.3989 -16.3880 -16.3880 -14.8260 -14.8260 -14.8245 -14.8245 -14.5339 -14.5339 -14.5155 -14.5155 -5.4324 -5.4324 -5.4231 -5.4231 -4.9368 -4.9368 -4.9343 -4.9343 5.6480 5.6480 5.6482 5.6482 7.8680 7.8680 7.9015 7.9015 8.0123 8.0123 8.0584 8.0584 9.5003 9.5003 9.5108 9.5108 9.8323 9.8323 9.8481 9.8481 10.0918 10.0918 10.0920 10.0920 15.5076 15.5076 15.5099 15.5099 15.8498 15.8498 15.8628 15.8628 16.5719 16.5719 k = 0.4659 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9598 -36.9598 -36.9598 -36.9598 -16.3984 -16.3984 -16.3902 -16.3902 -14.8271 -14.8271 -14.8261 -14.8261 -14.5316 -14.5316 -14.5178 -14.5178 -5.4331 -5.4331 -5.4262 -5.4262 -4.9307 -4.9307 -4.9287 -4.9287 5.6359 5.6359 5.6360 5.6360 7.8860 7.8860 7.9131 7.9131 8.0256 8.0256 8.0624 8.0624 9.5098 9.5098 9.5182 9.5182 9.8179 9.8179 9.8304 9.8304 10.0921 10.0921 10.0924 10.0924 15.5109 15.5109 15.5126 15.5126 15.8677 15.8677 15.8781 15.8781 16.5497 16.5497 k = 0.4773 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3977 -16.3977 -16.3922 -16.3922 -14.8279 -14.8279 -14.8273 -14.8273 -14.5292 -14.5292 -14.5200 -14.5200 -5.4334 -5.4334 -5.4288 -5.4288 -4.9262 -4.9262 -4.9249 -4.9249 5.6271 5.6271 5.6272 5.6272 7.9002 7.9002 7.9191 7.9191 8.0382 8.0382 8.0637 8.0637 9.5174 9.5174 9.5233 9.5233 9.8077 9.8077 9.8164 9.8164 10.0923 10.0923 10.0925 10.0925 15.5133 15.5133 15.5145 15.5145 15.8823 15.8823 15.8896 15.8896 16.5333 16.5333 k = 0.4886 0.5000-0.0000 ( 2578 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3967 -16.3967 -16.3939 -16.3939 -14.8283 -14.8283 -14.8280 -14.8280 -14.5269 -14.5269 -14.5223 -14.5223 -5.4330 -5.4330 -5.4307 -5.4307 -4.9233 -4.9233 -4.9227 -4.9227 5.6219 5.6219 5.6220 5.6220 7.9107 7.9107 7.9204 7.9204 8.0490 8.0490 8.0620 8.0620 9.5229 9.5229 9.5259 9.5259 9.8023 9.8023 9.8067 9.8067 10.0924 10.0924 10.0925 10.0925 15.5149 15.5149 15.5154 15.5154 15.8923 15.8923 15.8961 15.8961 16.5240 16.5240 k = 0.5000 0.5000-0.0000 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3954 -16.3954 -16.3954 -16.3954 -14.8284 -14.8284 -14.8284 -14.8284 -14.5246 -14.5246 -14.5246 -14.5246 -5.4322 -5.4322 -5.4322 -5.4322 -4.9222 -4.9222 -4.9222 -4.9222 5.6202 5.6202 5.6202 5.6202 7.9174 7.9174 7.9174 7.9174 8.0571 8.0571 8.0571 8.0571 9.5258 9.5258 9.5258 9.5258 9.8019 9.8019 9.8019 9.8019 10.0925 10.0925 10.0925 10.0925 15.5156 15.5156 15.5156 15.5156 15.8970 15.8970 15.8970 15.8970 16.5224 16.5224 k = 0.5000 0.5000-0.0000 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3954 -16.3954 -16.3954 -16.3954 -14.8284 -14.8284 -14.8284 -14.8284 -14.5246 -14.5246 -14.5246 -14.5246 -5.4322 -5.4322 -5.4322 -5.4322 -4.9222 -4.9222 -4.9222 -4.9222 5.6202 5.6202 5.6202 5.6202 7.9174 7.9174 7.9174 7.9174 8.0571 8.0571 8.0571 8.0571 9.5258 9.5258 9.5258 9.5258 9.8019 9.8019 9.8019 9.8019 10.0925 10.0925 10.0925 10.0925 15.5156 15.5156 15.5156 15.5156 15.8970 15.8970 15.8970 15.8970 16.5224 16.5224 k = 0.4918 0.4918-0.0000 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9596 -36.9596 -16.3967 -16.3967 -16.3939 -16.3939 -14.8283 -14.8283 -14.8280 -14.8280 -14.5270 -14.5270 -14.5223 -14.5223 -5.4331 -5.4331 -5.4307 -5.4307 -4.9236 -4.9236 -4.9225 -4.9225 5.6216 5.6216 5.6224 5.6224 7.9104 7.9104 7.9204 7.9204 8.0486 8.0486 8.0623 8.0623 9.5198 9.5198 9.5289 9.5289 9.8004 9.8004 9.8087 9.8087 10.0916 10.0916 10.0934 10.0934 15.5146 15.5146 15.5156 15.5156 15.8908 15.8908 15.8974 15.8974 16.5217 16.5217 k = 0.4836 0.4836-0.0000 ( 2576 PWs) bands (ev): -36.9597 -36.9597 -36.9596 -36.9596 -16.3977 -16.3977 -16.3921 -16.3921 -14.8280 -14.8280 -14.8271 -14.8271 -14.5294 -14.5294 -14.5199 -14.5199 -5.4334 -5.4334 -5.4286 -5.4286 -4.9276 -4.9276 -4.9237 -4.9237 5.6258 5.6258 5.6291 5.6291 7.8995 7.8995 7.9193 7.9193 8.0357 8.0357 8.0655 8.0655 9.5040 9.5040 9.5376 9.5376 9.7978 9.7978 9.8258 9.8258 10.0887 10.0887 10.0961 10.0961 15.5120 15.5120 15.5156 15.5156 15.8748 15.8748 15.8967 15.8967 16.5215 16.5215 k = 0.4754 0.4754-0.0000 ( 2576 PWs) bands (ev): -36.9599 -36.9599 -36.9596 -36.9596 -16.3985 -16.3985 -16.3900 -16.3900 -14.8273 -14.8273 -14.8258 -14.8258 -14.5318 -14.5318 -14.5176 -14.5176 -5.4332 -5.4332 -5.4260 -5.4260 -4.9343 -4.9343 -4.9258 -4.9258 5.6328 5.6328 5.6403 5.6403 7.8843 7.8843 7.9140 7.9140 8.0180 8.0180 8.0682 8.0682 9.4811 9.4811 9.5518 9.5518 9.7937 9.7937 9.8509 9.8509 10.0838 10.0838 10.1004 10.1004 15.5078 15.5078 15.5154 15.5154 15.8510 15.8510 15.8954 15.8954 16.5214 16.5214 k = 0.4672 0.4672-0.0000 ( 2584 PWs) bands (ev): -36.9602 -36.9602 -36.9597 -36.9597 -16.3990 -16.3990 -16.3876 -16.3876 -14.8263 -14.8263 -14.8239 -14.8239 -14.5342 -14.5342 -14.5152 -14.5152 -5.4324 -5.4324 -5.4227 -5.4227 -4.9436 -4.9436 -4.9288 -4.9288 5.6426 5.6426 5.6559 5.6559 7.8649 7.8649 7.9043 7.9043 7.9949 7.9949 8.0716 8.0716 9.4536 9.4536 9.5710 9.5710 9.7883 9.7883 9.8812 9.8812 10.0766 10.0766 10.1061 10.1061 15.5019 15.5019 15.5151 15.5151 15.8220 15.8220 15.8937 15.8937 16.5213 16.5213 k = 0.4590 0.4590-0.0000 ( 2588 PWs) bands (ev): -36.9605 -36.9605 -36.9598 -36.9598 -16.3994 -16.3994 -16.3850 -16.3850 -14.8251 -14.8251 -14.8215 -14.8215 -14.5368 -14.5368 -14.5127 -14.5127 -5.4312 -5.4312 -5.4187 -5.4187 -4.9554 -4.9554 -4.9326 -4.9326 5.6552 5.6552 5.6760 5.6760 7.8410 7.8410 7.8903 7.8903 7.9665 7.9665 8.0765 8.0765 9.4235 9.4235 9.5948 9.5948 9.7817 9.7817 9.9148 9.9148 10.0670 10.0670 10.1130 10.1130 15.4945 15.4945 15.5146 15.5146 15.7904 15.7904 15.8916 15.8916 16.5214 16.5214 k = 0.4508 0.4508-0.0000 ( 2584 PWs) bands (ev): -36.9608 -36.9608 -36.9598 -36.9598 -16.3994 -16.3994 -16.3821 -16.3821 -14.8236 -14.8236 -14.8185 -14.8185 -14.5394 -14.5394 -14.5102 -14.5102 -5.4295 -5.4295 -5.4141 -5.4141 -4.9698 -4.9698 -4.9372 -4.9372 5.6705 5.6705 5.7003 5.7003 7.8128 7.8128 7.8723 7.8723 7.9331 7.9331 8.0835 8.0835 9.3918 9.3918 9.6225 9.6225 9.7742 9.7742 9.9504 9.9504 10.0547 10.0547 10.1209 10.1209 15.4857 15.4857 15.5136 15.5136 15.7583 15.7583 15.8893 15.8893 16.5216 16.5216 k = 0.4426 0.4426-0.0000 ( 2576 PWs) bands (ev): -36.9612 -36.9612 -36.9598 -36.9598 -16.3993 -16.3993 -16.3790 -16.3790 -14.8218 -14.8218 -14.8150 -14.8150 -14.5420 -14.5420 -14.5076 -14.5076 -5.4274 -5.4274 -5.4089 -5.4089 -4.9867 -4.9867 -4.9426 -4.9426 5.6886 5.6886 5.7290 5.7290 7.7805 7.7805 7.8505 7.8505 7.8950 7.8950 8.0926 8.0926 9.3594 9.3594 9.6535 9.6535 9.7660 9.7660 9.9872 9.9872 10.0395 10.0395 10.1295 10.1295 15.4756 15.4756 15.5122 15.5122 15.7272 15.7272 15.8868 15.8868 16.5221 16.5221 k = 0.4344 0.4344-0.0000 ( 2578 PWs) bands (ev): -36.9617 -36.9617 -36.9599 -36.9599 -16.3990 -16.3990 -16.3755 -16.3755 -14.8197 -14.8197 -14.8110 -14.8110 -14.5447 -14.5447 -14.5049 -14.5049 -5.4248 -5.4248 -5.4030 -5.4030 -5.0060 -5.0060 -4.9489 -4.9489 5.7094 5.7094 5.7620 5.7620 7.7445 7.7445 7.8246 7.8246 7.8534 7.8534 8.1039 8.1039 9.3266 9.3266 9.6871 9.6871 9.7574 9.7574 10.0192 10.0192 10.0263 10.0263 10.1386 10.1386 15.4645 15.4645 15.5100 15.5100 15.6983 15.6983 15.8841 15.8841 16.5231 16.5231 k = 0.4262 0.4262-0.0000 ( 2578 PWs) bands (ev): -36.9622 -36.9622 -36.9600 -36.9600 -16.3985 -16.3985 -16.3718 -16.3718 -14.8175 -14.8175 -14.8065 -14.8065 -14.5475 -14.5475 -14.5022 -14.5022 -5.4218 -5.4218 -5.3965 -5.3965 -5.0277 -5.0277 -4.9559 -4.9559 5.7328 5.7328 5.7992 5.7992 7.7054 7.7054 7.7915 7.7915 7.8119 7.8119 8.1173 8.1173 9.2937 9.2937 9.7219 9.7219 9.7495 9.7495 9.9985 9.9985 10.0623 10.0623 10.1480 10.1480 15.4525 15.4525 15.5069 15.5069 15.6724 15.6724 15.8813 15.8813 16.5247 16.5247 k = 0.4180 0.4180-0.0000 ( 2582 PWs) bands (ev): -36.9628 -36.9628 -36.9601 -36.9601 -16.3978 -16.3978 -16.3679 -16.3679 -14.8149 -14.8149 -14.8015 -14.8015 -14.5503 -14.5503 -14.4993 -14.4993 -5.4185 -5.4185 -5.3893 -5.3893 -5.0516 -5.0516 -4.9636 -4.9636 5.7589 5.7589 5.8405 5.8405 7.6636 7.6636 7.7461 7.7461 7.7765 7.7765 8.1326 8.1326 9.2610 9.2610 9.7360 9.7360 9.7637 9.7637 9.9726 9.9726 10.0995 10.0995 10.1575 10.1575 15.4397 15.4397 15.5026 15.5026 15.6502 15.6502 15.8782 15.8782 16.5269 16.5269 k = 0.4098 0.4098-0.0000 ( 2574 PWs) bands (ev): -36.9634 -36.9634 -36.9602 -36.9602 -16.3969 -16.3969 -16.3636 -16.3636 -14.8122 -14.8122 -14.7960 -14.7960 -14.5532 -14.5532 -14.4964 -14.4964 -5.4149 -5.4149 -5.3815 -5.3815 -5.0777 -5.0777 -4.9722 -4.9722 5.7876 5.7876 5.8858 5.8858 7.6196 7.6196 7.6929 7.6929 7.7433 7.7433 8.1497 8.1497 9.2284 9.2284 9.7278 9.7278 9.8011 9.8011 9.9426 9.9426 10.1361 10.1361 10.1670 10.1670 15.4266 15.4266 15.4973 15.4973 15.6320 15.6320 15.8750 15.8750 16.5301 16.5301 k = 0.4016 0.4016-0.0000 ( 2568 PWs) bands (ev): -36.9641 -36.9641 -36.9602 -36.9602 -16.3959 -16.3959 -16.3592 -16.3592 -14.8092 -14.8092 -14.7900 -14.7900 -14.5561 -14.5561 -14.4933 -14.4933 -5.4110 -5.4110 -5.3731 -5.3731 -5.1058 -5.1058 -4.9814 -4.9814 5.8188 5.8188 5.9351 5.9351 7.5738 7.5738 7.6357 7.6357 7.7093 7.7093 8.1685 8.1685 9.1960 9.1960 9.7186 9.7186 9.8400 9.8400 9.9086 9.9086 10.1704 10.1704 10.1779 10.1779 15.4132 15.4132 15.4911 15.4911 15.6177 15.6177 15.8716 15.8716 16.5342 16.5342 k = 0.3934 0.3934-0.0000 ( 2568 PWs) bands (ev): -36.9648 -36.9648 -36.9603 -36.9603 -16.3947 -16.3947 -16.3545 -16.3545 -14.8060 -14.8060 -14.7835 -14.7835 -14.5590 -14.5590 -14.4901 -14.4901 -5.4069 -5.4069 -5.3641 -5.3641 -5.1358 -5.1358 -4.9913 -4.9913 5.8526 5.8526 5.9882 5.9882 7.5267 7.5267 7.5755 7.5755 7.6738 7.6738 8.1890 8.1890 9.1639 9.1639 9.7094 9.7094 9.8674 9.8674 9.8821 9.8821 10.1840 10.1840 10.2081 10.2081 15.3998 15.3998 15.4844 15.4844 15.6068 15.6068 15.8678 15.8678 16.5396 16.5396 k = 0.3852 0.3852-0.0000 ( 2568 PWs) bands (ev): -36.9656 -36.9656 -36.9604 -36.9604 -16.3934 -16.3934 -16.3495 -16.3495 -14.8026 -14.8026 -14.7765 -14.7765 -14.5619 -14.5619 -14.4868 -14.4868 -5.4026 -5.4026 -5.3545 -5.3545 -5.1676 -5.1676 -5.0019 -5.0019 5.8888 5.8888 6.0452 6.0452 7.4786 7.4786 7.5131 7.5131 7.6371 7.6371 8.2110 8.2110 9.1322 9.1322 9.7003 9.7003 9.8262 9.8262 9.9198 9.9198 10.1926 10.1926 10.2418 10.2418 15.3866 15.3866 15.4780 15.4780 15.5987 15.5987 15.8635 15.8635 16.5463 16.5463 k = 0.3770 0.3770-0.0000 ( 2572 PWs) bands (ev): -36.9665 -36.9665 -36.9606 -36.9606 -16.3920 -16.3920 -16.3443 -16.3443 -14.7991 -14.7991 -14.7691 -14.7691 -14.5648 -14.5648 -14.4834 -14.4834 -5.3983 -5.3983 -5.3444 -5.3444 -5.2009 -5.2009 -5.0132 -5.0132 5.9274 5.9274 6.1057 6.1057 7.4296 7.4296 7.4489 7.4489 7.5992 7.5992 8.2345 8.2345 9.1007 9.1007 9.6915 9.6915 9.7789 9.7789 9.9586 9.9586 10.2003 10.2003 10.2745 10.2745 15.3738 15.3738 15.4725 15.4725 15.5926 15.5926 15.8586 15.8586 16.5545 16.5545 k = 0.3689 0.3689-0.0000 ( 2572 PWs) bands (ev): -36.9674 -36.9674 -36.9607 -36.9607 -16.3905 -16.3905 -16.3389 -16.3389 -14.7954 -14.7954 -14.7613 -14.7613 -14.5676 -14.5676 -14.4799 -14.4799 -5.3943 -5.3943 -5.3338 -5.3338 -5.2353 -5.2353 -5.0250 -5.0250 5.9683 5.9683 6.1699 6.1699 7.3782 7.3782 7.3853 7.3853 7.5602 7.5602 8.2593 8.2593 9.0695 9.0695 9.6828 9.6828 9.7273 9.7273 9.9969 9.9969 10.2073 10.2073 10.3058 10.3058 15.3615 15.3615 15.4684 15.4684 15.5879 15.5879 15.8530 15.8530 16.5643 16.5643 k = 0.3607 0.3607-0.0000 ( 2572 PWs) bands (ev): -36.9683 -36.9683 -36.9608 -36.9608 -16.3889 -16.3889 -16.3333 -16.3333 -14.7916 -14.7916 -14.7531 -14.7531 -14.5703 -14.5703 -14.4763 -14.4763 -5.3911 -5.3911 -5.3231 -5.3231 -5.2699 -5.2699 -5.0374 -5.0374 6.0115 6.0115 6.2374 6.2374 7.3143 7.3143 7.3327 7.3327 7.5204 7.5204 8.2854 8.2854 9.0386 9.0386 9.6682 9.6682 9.6775 9.6775 10.0341 10.0341 10.2136 10.2136 10.3355 10.3355 15.3498 15.3498 15.4659 15.4659 15.5840 15.5840 15.8466 15.8466 16.5759 16.5759 k = 0.3525 0.3525-0.0000 ( 2580 PWs) bands (ev): -36.9694 -36.9694 -36.9610 -36.9610 -16.3872 -16.3872 -16.3275 -16.3275 -14.7877 -14.7877 -14.7444 -14.7444 -14.5729 -14.5729 -14.4725 -14.4725 -5.3903 -5.3903 -5.3163 -5.3163 -5.2991 -5.2991 -5.0504 -5.0504 6.0569 6.0569 6.3083 6.3083 7.2466 7.2466 7.2832 7.2832 7.4798 7.4798 8.3127 8.3127 9.0081 9.0081 9.6099 9.6099 9.6676 9.6676 10.0701 10.0701 10.2190 10.2190 10.3637 10.3637 15.3391 15.3391 15.4653 15.4653 15.5805 15.5805 15.8392 15.8392 16.5894 16.5894 k = 0.3443 0.3443-0.0000 ( 2576 PWs) bands (ev): -36.9704 -36.9704 -36.9611 -36.9611 -16.3855 -16.3855 -16.3215 -16.3215 -14.7838 -14.7838 -14.7354 -14.7354 -14.5753 -14.5753 -14.4687 -14.4687 -5.3968 -5.3968 -5.3352 -5.3352 -5.2960 -5.2960 -5.0638 -5.0638 6.1044 6.1044 6.3824 6.3824 7.1781 7.1781 7.2342 7.2342 7.4388 7.4388 8.3411 8.3411 8.9779 8.9779 9.5456 9.5456 9.6603 9.6603 10.1047 10.1047 10.2236 10.2236 10.3901 10.3901 15.3293 15.3293 15.4666 15.4666 15.5772 15.5772 15.8307 15.8307 16.6049 16.6049 k = 0.3361 0.3361-0.0000 ( 2576 PWs) bands (ev): -36.9714 -36.9714 -36.9612 -36.9612 -16.3837 -16.3837 -16.3153 -16.3153 -14.7798 -14.7798 -14.7260 -14.7260 -14.5775 -14.5775 -14.4648 -14.4648 -5.4192 -5.4192 -5.3478 -5.3478 -5.2841 -5.2841 -5.0776 -5.0776 6.1539 6.1539 6.4595 6.4595 7.1094 7.1094 7.1856 7.1856 7.3973 7.3973 8.3705 8.3705 8.9480 8.9480 9.4773 9.4773 9.6535 9.6535 10.1376 10.1376 10.2273 10.2273 10.4147 10.4147 15.3205 15.3205 15.4695 15.4695 15.5739 15.5739 15.8210 15.8210 16.6225 16.6225 k = 0.3279 0.3279-0.0000 ( 2576 PWs) bands (ev): -36.9725 -36.9725 -36.9614 -36.9614 -16.3819 -16.3819 -16.3090 -16.3090 -14.7759 -14.7759 -14.7163 -14.7163 -14.5793 -14.5793 -14.4608 -14.4608 -5.4544 -5.4544 -5.3492 -5.3492 -5.2712 -5.2712 -5.0917 -5.0917 6.2053 6.2053 6.5396 6.5396 7.0407 7.0407 7.1376 7.1376 7.3556 7.3556 8.4007 8.4007 8.9185 8.9185 9.4053 9.4053 9.6472 9.6472 10.1687 10.1687 10.2302 10.2302 10.4374 10.4374 15.3129 15.3129 15.4740 15.4740 15.5703 15.5703 15.8099 15.8099 16.6423 16.6423 k = 0.3197 0.3197-0.0000 ( 2574 PWs) bands (ev): -36.9736 -36.9736 -36.9615 -36.9615 -16.3800 -16.3800 -16.3026 -16.3026 -14.7720 -14.7720 -14.7063 -14.7063 -14.5809 -14.5809 -14.4567 -14.4567 -5.4948 -5.4948 -5.3464 -5.3464 -5.2579 -5.2579 -5.1061 -5.1061 6.2586 6.2586 6.6224 6.6224 6.9722 6.9722 7.0903 7.0903 7.3137 7.3137 8.4318 8.4318 8.8894 8.8894 9.3300 9.3300 9.6416 9.6416 10.1974 10.1974 10.2326 10.2326 10.4582 10.4582 15.3065 15.3065 15.4798 15.4798 15.5664 15.5664 15.7973 15.7973 16.6643 16.6643 k = 0.3115 0.3115-0.0000 ( 2575 PWs) bands (ev): -36.9748 -36.9748 -36.9617 -36.9617 -16.3782 -16.3782 -16.2960 -16.2960 -14.7682 -14.7682 -14.6960 -14.6960 -14.5820 -14.5820 -14.4526 -14.4526 -5.5378 -5.5378 -5.3422 -5.3422 -5.2442 -5.2442 -5.1205 -5.1205 6.3137 6.3137 6.7077 6.7077 6.9043 6.9043 7.0437 7.0437 7.2719 7.2719 8.4636 8.4636 8.8607 8.8607 9.2515 9.2515 9.6366 9.6366 10.2207 10.2207 10.2375 10.2375 10.4771 10.4771 15.3014 15.3014 15.4866 15.4866 15.5622 15.5622 15.7832 15.7832 16.6887 16.6887 k = 0.3033 0.3033-0.0000 ( 2579 PWs) bands (ev): -36.9759 -36.9759 -36.9619 -36.9619 -16.3763 -16.3763 -16.2893 -16.2893 -14.7646 -14.7646 -14.6855 -14.6855 -14.5826 -14.5826 -14.4484 -14.4484 -5.5822 -5.5822 -5.3375 -5.3375 -5.2305 -5.2305 -5.1349 -5.1349 6.3703 6.3703 6.7953 6.7953 6.8372 6.8372 6.9982 6.9982 7.2303 7.2303 8.4958 8.4958 8.8324 8.8324 9.1702 9.1702 9.6321 9.6321 10.2278 10.2278 10.2556 10.2556 10.4941 10.4941 15.2975 15.2975 15.4940 15.4940 15.5578 15.5578 15.7675 15.7675 16.7154 16.7154 k = 0.2951 0.2951-0.0000 ( 2571 PWs) bands (ev): -36.9771 -36.9771 -36.9620 -36.9620 -16.3745 -16.3745 -16.2825 -16.2825 -14.7611 -14.7611 -14.6749 -14.6749 -14.5827 -14.5827 -14.4442 -14.4442 -5.6276 -5.6276 -5.3327 -5.3327 -5.2169 -5.2169 -5.1486 -5.1486 6.4285 6.4285 6.7709 6.7709 6.8843 6.8843 6.9547 6.9547 7.1890 7.1890 8.5285 8.5285 8.8047 8.8047 9.0864 9.0864 9.6284 9.6284 10.2275 10.2275 10.2782 10.2782 10.5091 10.5091 15.2948 15.2948 15.5011 15.5011 15.5537 15.5537 15.7503 15.7503 16.7444 16.7444 k = 0.2869 0.2869-0.0000 ( 2577 PWs) bands (ev): -36.9784 -36.9784 -36.9622 -36.9622 -16.3727 -16.3727 -16.2757 -16.2757 -14.7580 -14.7580 -14.6641 -14.6641 -14.5821 -14.5821 -14.4399 -14.4399 -5.6738 -5.6738 -5.3283 -5.3283 -5.2047 -5.2047 -5.1605 -5.1605 6.4880 6.4880 6.7060 6.7060 6.9070 6.9070 6.9802 6.9802 7.1482 7.1482 8.5613 8.5613 8.7777 8.7777 9.0003 9.0003 9.6253 9.6253 10.2254 10.2254 10.2997 10.2997 10.5222 10.5222 15.2934 15.2934 15.5067 15.5067 15.5508 15.5508 15.7315 15.7315 16.7758 16.7758 k = 0.2787 0.2787-0.0000 ( 2585 PWs) bands (ev): -36.9796 -36.9796 -36.9624 -36.9624 -16.3709 -16.3709 -16.2688 -16.2688 -14.7551 -14.7551 -14.6533 -14.6533 -14.5807 -14.5807 -14.4356 -14.4356 -5.7204 -5.7204 -5.3243 -5.3243 -5.1980 -5.1980 -5.1662 -5.1662 6.5484 6.5484 6.6428 6.6428 6.8654 6.8654 7.0703 7.0703 7.1106 7.1106 8.5938 8.5938 8.7516 8.7516 8.9124 8.9124 9.6229 9.6229 10.2220 10.2220 10.3194 10.3194 10.5334 10.5334 15.2930 15.2930 15.5089 15.5089 15.5507 15.5507 15.7113 15.7113 16.8096 16.8096 k = 0.2705 0.2705-0.0000 ( 2587 PWs) bands (ev): -36.9809 -36.9809 -36.9625 -36.9625 -16.3691 -16.3691 -16.2618 -16.2618 -14.7526 -14.7526 -14.6427 -14.6427 -14.5785 -14.5785 -14.4312 -14.4312 -5.7674 -5.7674 -5.3214 -5.3214 -5.2022 -5.2022 -5.1600 -5.1600 6.5776 6.5776 6.6134 6.6134 6.8240 6.8240 7.0650 7.0650 7.1716 7.1716 8.6248 8.6248 8.7273 8.7273 8.8230 8.8230 9.6213 9.6213 10.2176 10.2176 10.3374 10.3374 10.5427 10.5427 15.2935 15.2935 15.5064 15.5064 15.5546 15.5546 15.6898 15.6898 16.8456 16.8456 k = 0.2623 0.2623-0.0000 ( 2583 PWs) bands (ev): -36.9821 -36.9821 -36.9627 -36.9627 -16.3674 -16.3674 -16.2548 -16.2548 -14.7504 -14.7504 -14.6322 -14.6322 -14.5753 -14.5753 -14.4269 -14.4269 -5.8147 -5.8147 -5.3199 -5.3199 -5.2112 -5.2112 -5.1474 -5.1474 6.5189 6.5189 6.6747 6.6747 6.7837 6.7837 7.0262 7.0262 7.2685 7.2685 8.6489 8.6489 8.7093 8.7093 8.7335 8.7335 9.6205 9.6205 10.2122 10.2122 10.3535 10.3535 10.5503 10.5503 15.2948 15.2948 15.4999 15.4999 15.5615 15.5615 15.6673 15.6673 16.8839 16.8839 k = 0.2541 0.2541-0.0000 ( 2587 PWs) bands (ev): -36.9834 -36.9834 -36.9629 -36.9629 -16.3658 -16.3658 -16.2478 -16.2478 -14.7486 -14.7486 -14.6221 -14.6221 -14.5709 -14.5709 -14.4226 -14.4226 -5.8620 -5.8620 -5.3207 -5.3207 -5.2200 -5.2200 -5.1329 -5.1329 6.4605 6.4605 6.7364 6.7364 6.7464 6.7464 6.9875 6.9875 7.3673 7.3673 8.6293 8.6293 8.6633 8.6633 8.7151 8.7151 9.6205 9.6205 10.2060 10.2060 10.3680 10.3680 10.5561 10.5561 15.2963 15.2963 15.4907 15.4907 15.5698 15.5698 15.6440 15.6440 16.9243 16.9243 k = 0.2459 0.2459-0.0000 ( 2587 PWs) bands (ev): -36.9846 -36.9846 -36.9631 -36.9631 -16.3642 -16.3642 -16.2408 -16.2408 -14.7472 -14.7472 -14.6126 -14.6126 -14.5653 -14.5653 -14.4183 -14.4183 -5.9092 -5.9092 -5.3242 -5.3242 -5.2266 -5.2266 -5.1177 -5.1177 6.4040 6.4040 6.7061 6.7061 6.8028 6.8028 6.9496 6.9496 7.4674 7.4674 8.5424 8.5424 8.6394 8.6394 8.7413 8.7413 9.6213 9.6213 10.1989 10.1989 10.3807 10.3807 10.5603 10.5603 15.2978 15.2978 15.4796 15.4796 15.5784 15.5784 15.6208 15.6208 16.9667 16.9667 k = 0.2377 0.2377-0.0000 ( 2587 PWs) bands (ev): -36.9859 -36.9859 -36.9632 -36.9632 -16.3627 -16.3627 -16.2339 -16.2339 -14.7461 -14.7461 -14.6036 -14.6036 -14.5584 -14.5584 -14.4140 -14.4140 -5.9563 -5.9563 -5.3308 -5.3308 -5.2305 -5.2305 -5.1022 -5.1022 6.3496 6.3496 6.6694 6.6694 6.8668 6.8668 6.9130 6.9130 7.5684 7.5684 8.4496 8.4496 8.6166 8.6166 8.7723 8.7723 9.6232 9.6232 10.1912 10.1912 10.3920 10.3920 10.5629 10.5629 15.2984 15.2984 15.4671 15.4671 15.5859 15.5859 15.5992 15.5992 17.0111 17.0111 k = 0.2295 0.2295-0.0000 ( 2579 PWs) bands (ev): -36.9871 -36.9871 -36.9634 -36.9634 -16.3613 -16.3613 -16.2270 -16.2270 -14.7455 -14.7455 -14.5954 -14.5954 -14.5502 -14.5502 -14.4097 -14.4097 -6.0031 -6.0031 -5.3403 -5.3403 -5.2317 -5.2317 -5.0866 -5.0866 6.2975 6.2975 6.6340 6.6340 6.8743 6.8743 6.9342 6.9342 7.6700 7.6700 8.3560 8.3560 8.5936 8.5936 8.8042 8.8042 9.6260 9.6260 10.1828 10.1828 10.4018 10.4018 10.5641 10.5641 15.2973 15.2973 15.4533 15.4533 15.5748 15.5748 15.5972 15.5972 17.0573 17.0573 k = 0.2213 0.2213-0.0000 ( 2581 PWs) bands (ev): -36.9883 -36.9883 -36.9636 -36.9636 -16.3599 -16.3599 -16.2201 -16.2201 -14.7451 -14.7451 -14.5876 -14.5876 -14.5409 -14.5409 -14.4055 -14.4055 -6.0494 -6.0494 -5.3521 -5.3521 -5.2308 -5.2308 -5.0709 -5.0709 6.2477 6.2477 6.5998 6.5998 6.8392 6.8392 6.9987 6.9987 7.7720 7.7720 8.2623 8.2623 8.5710 8.5710 8.8359 8.8359 9.6299 9.6299 10.1738 10.1738 10.4102 10.4102 10.5639 10.5639 15.2933 15.2933 15.4383 15.4383 15.5566 15.5566 15.6046 15.6046 17.1050 17.1050 k = 0.2131 0.2131-0.0000 ( 2583 PWs) bands (ev): -36.9895 -36.9895 -36.9637 -36.9637 -16.3586 -16.3586 -16.2133 -16.2133 -14.7451 -14.7451 -14.5803 -14.5803 -14.5307 -14.5307 -14.4014 -14.4014 -6.0953 -6.0953 -5.3654 -5.3654 -5.2284 -5.2284 -5.0553 -5.0553 6.2005 6.2005 6.5670 6.5670 6.8047 6.8047 7.0633 7.0633 7.8738 7.8738 8.1691 8.1691 8.5488 8.5488 8.8673 8.8673 9.6350 9.6350 10.1644 10.1644 10.4175 10.4175 10.5625 10.5625 15.2851 15.2851 15.4222 15.4222 15.5421 15.5421 15.6118 15.6118 17.1537 17.1537 k = 0.2049 0.2049-0.0000 ( 2585 PWs) bands (ev): -36.9907 -36.9907 -36.9639 -36.9639 -16.3575 -16.3575 -16.2067 -16.2067 -14.7453 -14.7453 -14.5732 -14.5732 -14.5200 -14.5200 -14.3973 -14.3973 -6.1404 -6.1404 -5.3798 -5.3798 -5.2249 -5.2249 -5.0398 -5.0398 6.1559 6.1559 6.5354 6.5354 6.7710 6.7710 7.1272 7.1272 7.9752 7.9752 8.0769 8.0769 8.5274 8.5274 8.8979 8.8979 9.6414 9.6414 10.1547 10.1547 10.4238 10.4238 10.5598 10.5598 15.2715 15.2715 15.4052 15.4052 15.5326 15.5326 15.6183 15.6183 17.2017 17.2017 k = 0.1967 0.1967-0.0000 ( 2583 PWs) bands (ev): -36.9919 -36.9919 -36.9641 -36.9641 -16.3564 -16.3564 -16.2001 -16.2001 -14.7457 -14.7457 -14.5663 -14.5663 -14.5088 -14.5088 -14.3933 -14.3933 -6.1848 -6.1848 -5.3947 -5.3947 -5.2208 -5.2208 -5.0244 -5.0244 6.1141 6.1141 6.5052 6.5052 6.7384 6.7384 7.1897 7.1897 7.9863 7.9863 8.0759 8.0759 8.5065 8.5065 8.9278 8.9278 9.6491 9.6491 10.1449 10.1449 10.4291 10.4291 10.5562 10.5562 15.2522 15.2522 15.3875 15.3875 15.5286 15.5286 15.6240 15.6240 17.2305 17.2310 k = 0.1885 0.1885-0.0000 ( 2583 PWs) bands (ev): -36.9931 -36.9931 -36.9642 -36.9642 -16.3554 -16.3554 -16.1937 -16.1937 -14.7463 -14.7463 -14.5594 -14.5594 -14.4974 -14.4974 -14.3895 -14.3895 -6.2284 -6.2284 -5.4100 -5.4100 -5.2164 -5.2164 -5.0092 -5.0092 6.0750 6.0750 6.4764 6.4764 6.7068 6.7068 7.2496 7.2496 7.8986 7.8986 8.1752 8.1752 8.4864 8.4864 8.9566 8.9566 9.6582 9.6582 10.1351 10.1351 10.4336 10.4336 10.5516 10.5516 15.2274 15.2274 15.3691 15.3691 15.5299 15.5299 15.6288 15.6288 17.2156 17.2158 k = 0.1803 0.1803-0.0000 ( 2589 PWs) bands (ev): -36.9943 -36.9943 -36.9644 -36.9644 -16.3544 -16.3544 -16.1874 -16.1874 -14.7470 -14.7470 -14.5525 -14.5525 -14.4860 -14.4860 -14.3857 -14.3857 -6.2709 -6.2709 -5.4253 -5.4253 -5.2117 -5.2117 -4.9943 -4.9943 6.0389 6.0389 6.4488 6.4488 6.6764 6.6764 7.3049 7.3049 7.8156 7.8156 8.2727 8.2727 8.4671 8.4671 8.9844 8.9844 9.6690 9.6690 10.1255 10.1255 10.4375 10.4375 10.5462 10.5462 15.1979 15.1979 15.3501 15.3501 15.5356 15.5356 15.6329 15.6329 17.1936 17.1936 k = 0.1721 0.1721-0.0000 ( 2589 PWs) bands (ev): -36.9953 -36.9953 -36.9646 -36.9646 -16.3536 -16.3536 -16.1812 -16.1812 -14.7479 -14.7479 -14.5456 -14.5456 -14.4745 -14.4745 -14.3820 -14.3820 -6.3124 -6.3124 -5.4406 -5.4406 -5.2069 -5.2069 -4.9796 -4.9796 6.0058 6.0058 6.4226 6.4226 6.6470 6.6470 7.3513 7.3513 7.7418 7.7418 8.3680 8.3680 8.4485 8.4485 9.0109 9.0109 9.6813 9.6813 10.1164 10.1164 10.4409 10.4409 10.5402 10.5402 15.1648 15.1648 15.3305 15.3305 15.5449 15.5449 15.6361 15.6361 17.1712 17.1712 k = 0.1639 0.1639-0.0000 ( 2593 PWs) bands (ev): -36.9964 -36.9964 -36.9648 -36.9648 -16.3528 -16.3528 -16.1753 -16.1753 -14.7488 -14.7488 -14.5388 -14.5388 -14.4632 -14.4632 -14.3784 -14.3784 -6.3527 -6.3527 -5.4557 -5.4557 -5.2021 -5.2021 -4.9653 -4.9653 5.9757 5.9757 6.3978 6.3978 6.6189 6.6189 7.3792 7.3792 7.6868 7.6868 8.4307 8.4307 8.4603 8.4603 9.0362 9.0362 9.6954 9.6954 10.1081 10.1081 10.4437 10.4437 10.5336 10.5336 15.1290 15.1290 15.3105 15.3105 15.5568 15.5568 15.6386 15.6386 17.1494 17.1494 k = 0.1557 0.1557-0.0000 ( 2593 PWs) bands (ev): -36.9975 -36.9975 -36.9649 -36.9649 -16.3521 -16.3521 -16.1695 -16.1695 -14.7498 -14.7498 -14.5320 -14.5320 -14.4520 -14.4520 -14.3749 -14.3749 -6.3917 -6.3917 -5.4705 -5.4705 -5.1974 -5.1974 -4.9514 -4.9514 5.9487 5.9487 6.3743 6.3743 6.5920 6.5920 7.3736 7.3736 7.6654 7.6654 8.4138 8.4138 8.5490 8.5490 9.0602 9.0602 9.7111 9.7111 10.1010 10.1010 10.4463 10.4463 10.5266 10.5266 15.0911 15.0911 15.2902 15.2902 15.5707 15.5707 15.6403 15.6403 17.1282 17.1282 k = 0.1475 0.1475-0.0000 ( 2593 PWs) bands (ev): -36.9985 -36.9985 -36.9651 -36.9651 -16.3515 -16.3515 -16.1640 -16.1640 -14.7508 -14.7508 -14.5253 -14.5253 -14.4411 -14.4411 -14.3716 -14.3716 -6.4294 -6.4294 -5.4850 -5.4850 -5.1928 -5.1928 -4.9380 -4.9380 5.9248 5.9248 6.3521 6.3521 6.5663 6.5663 7.3317 7.3317 7.6804 7.6804 8.3977 8.3977 8.6335 8.6335 9.0827 9.0827 9.7283 9.7283 10.0957 10.0957 10.4485 10.4485 10.5194 10.5194 15.0518 15.0518 15.2696 15.2696 15.5860 15.5860 15.6414 15.6414 17.1079 17.1079 k = 0.1393 0.1393-0.0000 ( 2595 PWs) bands (ev): -36.9995 -36.9995 -36.9652 -36.9652 -16.3510 -16.3510 -16.1587 -16.1587 -14.7518 -14.7518 -14.5186 -14.5186 -14.4305 -14.4305 -14.3684 -14.3684 -6.4656 -6.4656 -5.4991 -5.4991 -5.1883 -5.1883 -4.9250 -4.9250 5.9042 5.9042 6.3312 6.3312 6.5419 6.5419 7.2684 7.2684 7.7168 7.7168 8.3825 8.3825 8.7132 8.7132 9.1038 9.1038 9.7465 9.7465 10.0929 10.0929 10.4505 10.4505 10.5119 10.5119 15.0116 15.0116 15.2489 15.2489 15.6022 15.6022 15.6419 15.6419 17.0884 17.0884 k = 0.1311 0.1311-0.0000 ( 2599 PWs) bands (ev): -37.0004 -37.0004 -36.9654 -36.9654 -16.3505 -16.3505 -16.1535 -16.1535 -14.7528 -14.7528 -14.5121 -14.5121 -14.4203 -14.4203 -14.3653 -14.3653 -6.5002 -6.5002 -5.5126 -5.5126 -5.1840 -5.1840 -4.9125 -4.9125 5.8868 5.8868 6.3116 6.3116 6.5187 6.5187 7.1963 7.1963 7.7622 7.7622 8.3682 8.3682 8.7875 8.7875 9.1233 9.1233 9.7651 9.7651 10.0936 10.0936 10.4523 10.4523 10.5046 10.5046 14.9708 14.9708 15.2282 15.2282 15.6187 15.6187 15.6422 15.6422 17.0699 17.0699 k = 0.1230 0.1230-0.0000 ( 2603 PWs) bands (ev): -37.0013 -37.0013 -36.9655 -36.9655 -16.3501 -16.3501 -16.1487 -16.1487 -14.7538 -14.7538 -14.5058 -14.5058 -14.4106 -14.4106 -14.3622 -14.3622 -6.5332 -6.5332 -5.5256 -5.5256 -5.1798 -5.1798 -4.9005 -4.9005 5.8726 5.8726 6.2933 6.2933 6.4969 6.4969 7.1211 7.1211 7.8105 7.8105 8.3548 8.3548 8.8558 8.8558 9.1414 9.1414 9.7832 9.7832 10.0989 10.0989 10.4537 10.4537 10.4975 10.4975 14.9297 14.9297 15.2077 15.2077 15.6330 15.6330 15.6445 15.6445 17.0523 17.0523 k = 0.1148 0.1148-0.0000 ( 2611 PWs) bands (ev): -37.0022 -37.0022 -36.9657 -36.9657 -16.3498 -16.3498 -16.1441 -16.1441 -14.7547 -14.7547 -14.4997 -14.4997 -14.4014 -14.4014 -14.3592 -14.3592 -6.5645 -6.5645 -5.5380 -5.5380 -5.1759 -5.1759 -4.8891 -4.8891 5.8617 5.8617 6.2762 6.2762 6.4764 6.4764 7.0454 7.0454 7.8592 7.8592 8.3423 8.3423 8.9179 8.9179 9.1580 9.1580 9.7994 9.7994 10.1098 10.1098 10.4546 10.4546 10.4910 10.4910 14.8888 14.8888 15.1875 15.1875 15.6370 15.6370 15.6567 15.6567 17.0357 17.0357 k = 0.1066 0.1066-0.0000 ( 2613 PWs) bands (ev): -37.0030 -37.0030 -36.9658 -36.9658 -16.3495 -16.3495 -16.1398 -16.1398 -14.7556 -14.7556 -14.4938 -14.4938 -14.3928 -14.3928 -14.3563 -14.3563 -6.5939 -6.5939 -5.5498 -5.5498 -5.1722 -5.1722 -4.8784 -4.8784 5.8540 5.8540 6.2604 6.2604 6.4572 6.4572 6.9706 6.9706 7.9068 7.9068 8.3308 8.3308 8.9735 8.9735 9.1731 9.1731 9.8128 9.8128 10.1274 10.1274 10.4547 10.4547 10.4856 10.4856 14.8483 14.8483 15.1677 15.1677 15.6362 15.6362 15.6731 15.6731 17.0201 17.0201 k = 0.0984 0.0984-0.0000 ( 2605 PWs) bands (ev): -37.0037 -37.0037 -36.9659 -36.9659 -16.3492 -16.3492 -16.1357 -16.1357 -14.7565 -14.7565 -14.4881 -14.4881 -14.3850 -14.3850 -14.3533 -14.3533 -6.6215 -6.6215 -5.5609 -5.5609 -5.1687 -5.1687 -4.8683 -4.8683 5.8495 5.8495 6.2459 6.2459 6.4394 6.4394 6.8974 6.8974 7.9525 7.9525 8.3203 8.3203 9.0229 9.0229 9.1868 9.1868 9.8224 9.8224 10.1517 10.1517 10.4534 10.4534 10.4818 10.4818 14.8086 14.8086 15.1485 15.1485 15.6347 15.6347 15.6897 15.6897 17.0056 17.0056 k = 0.0902 0.0902-0.0000 ( 2601 PWs) bands (ev): -37.0044 -37.0044 -36.9660 -36.9660 -16.3490 -16.3490 -16.1319 -16.1319 -14.7573 -14.7573 -14.4828 -14.4828 -14.3780 -14.3780 -14.3502 -14.3502 -6.6472 -6.6472 -5.5712 -5.5712 -5.1655 -5.1655 -4.8589 -4.8589 5.8481 5.8481 6.2326 6.2326 6.4229 6.4229 6.8264 6.8264 7.9958 7.9958 8.3109 8.3109 9.0660 9.0660 9.1991 9.1991 9.8284 9.8284 10.1821 10.1821 10.4506 10.4506 10.4799 10.4799 14.7699 14.7699 15.1302 15.1302 15.6328 15.6328 15.7058 15.7058 16.9921 16.9921 k = 0.0820 0.0820-0.0000 ( 2605 PWs) bands (ev): -37.0050 -37.0050 -36.9661 -36.9661 -16.3489 -16.3489 -16.1285 -16.1285 -14.7580 -14.7580 -14.4778 -14.4778 -14.3720 -14.3720 -14.3469 -14.3469 -6.6709 -6.6709 -5.5807 -5.5807 -5.1625 -5.1625 -4.8502 -4.8502 5.8498 5.8498 6.2205 6.2205 6.4079 6.4079 6.7578 6.7578 8.0361 8.0361 8.3026 8.3026 9.1034 9.1034 9.2101 9.2101 9.8311 9.8311 10.2172 10.2172 10.4466 10.4466 10.4795 10.4795 14.7327 14.7327 15.1127 15.1127 15.6307 15.6307 15.7213 15.7213 16.9796 16.9796 k = 0.0738 0.0738-0.0000 ( 2601 PWs) bands (ev): -37.0056 -37.0056 -36.9662 -36.9662 -16.3487 -16.3487 -16.1253 -16.1253 -14.7587 -14.7587 -14.4732 -14.4732 -14.3670 -14.3670 -14.3434 -14.3434 -6.6924 -6.6924 -5.5895 -5.5895 -5.1598 -5.1598 -4.8422 -4.8422 5.8544 5.8544 6.2096 6.2096 6.3942 6.3942 6.6923 6.6923 8.0731 8.0731 8.2955 8.2955 9.1356 9.1356 9.2198 9.2198 9.8314 9.8314 10.2552 10.2552 10.4420 10.4420 10.4803 10.4803 14.6972 14.6972 15.0964 15.0964 15.6285 15.6285 15.7358 15.7358 16.9683 16.9683 k = 0.0656 0.0656-0.0000 ( 2593 PWs) bands (ev): -37.0060 -37.0060 -36.9663 -36.9663 -16.3486 -16.3486 -16.1224 -16.1224 -14.7593 -14.7593 -14.4689 -14.4689 -14.3630 -14.3630 -14.3397 -14.3397 -6.7119 -6.7119 -5.5974 -5.5974 -5.1574 -5.1574 -4.8350 -4.8350 5.8617 5.8617 6.1999 6.1999 6.3819 6.3819 6.6300 6.6300 8.1062 8.1062 8.2898 8.2898 9.1628 9.1628 9.2283 9.2283 9.8300 9.8300 10.2944 10.2944 10.4373 10.4373 10.4816 10.4816 14.6640 14.6640 15.0813 15.0813 15.6264 15.6264 15.7492 15.7492 16.9582 16.9582 k = 0.0574 0.0574-0.0000 ( 2589 PWs) bands (ev): -37.0065 -37.0065 -36.9663 -36.9663 -16.3485 -16.3485 -16.1199 -16.1199 -14.7598 -14.7598 -14.4651 -14.4651 -14.3599 -14.3599 -14.3360 -14.3360 -6.7292 -6.7292 -5.6044 -5.6044 -5.1552 -5.1552 -4.8287 -4.8287 5.8714 5.8714 6.1914 6.1914 6.3711 6.3711 6.5715 6.5715 8.1351 8.1351 8.2856 8.2856 9.1856 9.1856 9.2357 9.2357 9.8275 9.8275 10.3327 10.3327 10.4331 10.4331 10.4831 10.4831 14.6333 14.6333 15.0676 15.0676 15.6243 15.6243 15.7613 15.7613 16.9491 16.9491 k = 0.0492 0.0492-0.0000 ( 2591 PWs) bands (ev): -37.0068 -37.0068 -36.9664 -36.9664 -16.3485 -16.3485 -16.1177 -16.1177 -14.7603 -14.7603 -14.4617 -14.4617 -14.3575 -14.3575 -14.3324 -14.3324 -6.7443 -6.7443 -5.6106 -5.6106 -5.1533 -5.1533 -4.8231 -4.8231 5.8832 5.8832 6.1840 6.1840 6.3617 6.3617 6.5173 6.5173 8.1594 8.1594 8.2833 8.2833 9.2044 9.2044 9.2422 9.2422 9.8244 9.8244 10.3684 10.3684 10.4298 10.4298 10.4847 10.4847 14.6056 14.6056 15.0554 15.0554 15.6224 15.6224 15.7721 15.7721 16.9413 16.9413 k = 0.0410 0.0410-0.0000 ( 2583 PWs) bands (ev): -37.0072 -37.0072 -36.9665 -36.9665 -16.3484 -16.3484 -16.1158 -16.1158 -14.7606 -14.7606 -14.4588 -14.4588 -14.3557 -14.3557 -14.3291 -14.3291 -6.7571 -6.7571 -5.6159 -5.6159 -5.1517 -5.1517 -4.8183 -4.8183 5.8964 5.8964 6.1778 6.1778 6.3536 6.3536 6.4680 6.4680 8.1786 8.1786 8.2829 8.2829 9.2195 9.2195 9.2479 9.2479 9.8213 9.8213 10.3983 10.3983 10.4295 10.4295 10.4863 10.4863 14.5813 14.5813 15.0449 15.0449 15.6207 15.6207 15.7814 15.7814 16.9346 16.9346 k = 0.0328 0.0328-0.0000 ( 2583 PWs) bands (ev): -37.0074 -37.0074 -36.9665 -36.9665 -16.3484 -16.3484 -16.1143 -16.1143 -14.7610 -14.7610 -14.4564 -14.4564 -14.3544 -14.3544 -14.3263 -14.3263 -6.7677 -6.7677 -5.6202 -5.6202 -5.1504 -5.1504 -4.8144 -4.8144 5.9102 5.9102 6.1727 6.1727 6.3470 6.3470 6.4246 6.4246 8.1926 8.1926 8.2845 8.2845 9.2310 9.2310 9.2529 9.2529 9.8183 9.8183 10.4126 10.4126 10.4407 10.4407 10.4877 10.4877 14.5609 14.5609 15.0361 15.0361 15.6192 15.6192 15.7892 15.7892 16.9291 16.9291 k = 0.0246 0.0246-0.0000 ( 2587 PWs) bands (ev): -37.0077 -37.0077 -36.9666 -36.9666 -16.3484 -16.3484 -16.1131 -16.1131 -14.7612 -14.7612 -14.4545 -14.4545 -14.3534 -14.3534 -14.3240 -14.3240 -6.7759 -6.7759 -5.6235 -5.6235 -5.1494 -5.1494 -4.8113 -4.8113 5.9236 5.9236 6.1687 6.1687 6.3417 6.3417 6.3883 6.3883 8.2020 8.2020 8.2874 8.2874 9.2392 9.2392 9.2572 9.2572 9.8157 9.8157 10.4139 10.4139 10.4602 10.4602 10.4889 10.4889 14.5445 14.5445 15.0291 15.0291 15.6180 15.6180 15.7953 15.7953 16.9249 16.9249 k = 0.0164 0.0164-0.0000 ( 2587 PWs) bands (ev): -37.0078 -37.0078 -36.9666 -36.9666 -16.3484 -16.3484 -16.1122 -16.1122 -14.7614 -14.7614 -14.4532 -14.4532 -14.3527 -14.3527 -14.3224 -14.3224 -6.7818 -6.7818 -5.6260 -5.6260 -5.1486 -5.1486 -4.8091 -4.8091 5.9351 5.9351 6.1659 6.1659 6.3374 6.3374 6.3610 6.3610 8.2076 8.2076 8.2907 8.2907 9.2444 9.2444 9.2608 9.2608 9.8138 9.8138 10.4131 10.4131 10.4759 10.4759 10.4902 10.4902 14.5326 14.5326 15.0241 15.0241 15.6172 15.6172 15.7997 15.7997 16.9218 16.9218 k = 0.0082 0.0082-0.0000 ( 2593 PWs) bands (ev): -37.0079 -37.0079 -36.9667 -36.9667 -16.3484 -16.3484 -16.1117 -16.1117 -14.7615 -14.7615 -14.4524 -14.4524 -14.3523 -14.3523 -14.3214 -14.3214 -6.7854 -6.7854 -5.6274 -5.6274 -5.1482 -5.1482 -4.8078 -4.8078 5.9429 5.9429 6.1642 6.1642 6.3332 6.3332 6.3452 6.3452 8.2104 8.2104 8.2932 8.2932 9.2472 9.2472 9.2632 9.2632 9.8126 9.8126 10.4124 10.4124 10.4848 10.4848 10.4920 10.4920 14.5254 14.5254 15.0211 15.0211 15.6166 15.6166 15.8023 15.8023 16.9200 16.9200 k = 0.0000 0.0000 0.0000 ( 2589 PWs) bands (ev): -37.0079 -37.0079 -36.9666 -36.9666 -16.3484 -16.3484 -16.1115 -16.1115 -14.7615 -14.7615 -14.4521 -14.4521 -14.3522 -14.3522 -14.3210 -14.3210 -6.7865 -6.7865 -5.6279 -5.6279 -5.1480 -5.1480 -4.8074 -4.8074 5.9457 5.9457 6.1637 6.1637 6.3304 6.3304 6.3411 6.3411 8.2113 8.2113 8.2941 8.2941 9.2481 9.2481 9.2640 9.2640 9.8122 9.8122 10.4121 10.4121 10.4869 10.4869 10.4935 10.4935 14.5229 14.5229 15.0201 15.0201 15.6164 15.6164 15.8032 15.8032 16.9194 16.9194 k = 0.0000 0.0000 0.0000 ( 2589 PWs) bands (ev): -37.0079 -37.0079 -36.9666 -36.9666 -16.3484 -16.3484 -16.1115 -16.1115 -14.7615 -14.7615 -14.4521 -14.4521 -14.3522 -14.3522 -14.3210 -14.3210 -6.7865 -6.7865 -5.6279 -5.6279 -5.1480 -5.1480 -4.8074 -4.8074 5.9457 5.9457 6.1637 6.1637 6.3304 6.3304 6.3411 6.3411 8.2113 8.2113 8.2941 8.2941 9.2481 9.2481 9.2640 9.2640 9.8122 9.8122 10.4121 10.4121 10.4869 10.4869 10.4935 10.4935 14.5229 14.5229 15.0201 15.0201 15.6164 15.6164 15.8032 15.8032 16.9194 16.9194 k = 0.0000 0.0000 0.0115 ( 2589 PWs) bands (ev): -37.0079 -37.0079 -36.9667 -36.9667 -16.3482 -16.3482 -16.1117 -16.1117 -14.7613 -14.7613 -14.4520 -14.4520 -14.3525 -14.3525 -14.3211 -14.3211 -6.7855 -6.7855 -5.6274 -5.6274 -5.1494 -5.1494 -4.8080 -4.8080 5.9477 5.9477 6.1661 6.1661 6.3311 6.3311 6.3418 6.3418 8.2077 8.2077 8.2900 8.2900 9.2517 9.2517 9.2672 9.2672 9.8083 9.8083 10.4081 10.4081 10.4869 10.4869 10.4937 10.4937 14.5236 14.5236 15.0212 15.0212 15.6155 15.6155 15.8028 15.8028 16.9229 16.9229 k = 0.0000 0.0000 0.0229 ( 2577 PWs) bands (ev): -37.0078 -37.0078 -36.9667 -36.9667 -16.3477 -16.3477 -16.1121 -16.1121 -14.7606 -14.7606 -14.4517 -14.4517 -14.3535 -14.3535 -14.3214 -14.3214 -6.7823 -6.7823 -5.6258 -5.6258 -5.1533 -5.1533 -4.8096 -4.8096 5.9537 5.9537 6.1734 6.1734 6.3333 6.3333 6.3439 6.3439 8.1970 8.1970 8.2781 8.2781 9.2622 9.2622 9.2766 9.2766 9.7967 9.7967 10.3961 10.3961 10.4869 10.4869 10.4943 10.4943 14.5255 14.5255 15.0244 15.0244 15.6129 15.6129 15.8018 15.8018 16.9333 16.9333 k = 0.0000 0.0000 0.0344 ( 2577 PWs) bands (ev): -37.0076 -37.0076 -36.9669 -36.9669 -16.3469 -16.3469 -16.1129 -16.1129 -14.7594 -14.7594 -14.4513 -14.4513 -14.3552 -14.3552 -14.3218 -14.3218 -6.7771 -6.7771 -5.6233 -5.6233 -5.1598 -5.1598 -4.8124 -4.8124 5.9637 5.9637 6.1856 6.1856 6.3370 6.3370 6.3474 6.3474 8.1797 8.1797 8.2587 8.2587 9.2789 9.2789 9.2918 9.2918 9.7774 9.7774 10.3757 10.3757 10.4872 10.4872 10.4952 10.4952 14.5287 14.5287 15.0296 15.0296 15.6084 15.6084 15.8000 15.8000 16.9504 16.9504 k = 0.0000 0.0000 0.0458 ( 2577 PWs) bands (ev): -37.0074 -37.0074 -36.9671 -36.9671 -16.3457 -16.3457 -16.1140 -16.1140 -14.7578 -14.7578 -14.4507 -14.4507 -14.3575 -14.3575 -14.3225 -14.3225 -6.7698 -6.7698 -5.6197 -5.6197 -5.1689 -5.1689 -4.8163 -4.8163 5.9777 5.9777 6.2026 6.2026 6.3421 6.3421 6.3523 6.3523 8.1564 8.1564 8.2329 8.2329 9.3013 9.3013 9.3120 9.3120 9.7507 9.7507 10.3472 10.3472 10.4880 10.4880 10.4965 10.4965 14.5332 14.5332 15.0370 15.0370 15.6023 15.6023 15.7978 15.7978 16.9742 16.9742 k = 0.0000 0.0000 0.0573 ( 2578 PWs) bands (ev): -37.0072 -37.0072 -36.9672 -36.9672 -16.3442 -16.3442 -16.1155 -16.1155 -14.7556 -14.7556 -14.4499 -14.4499 -14.3605 -14.3605 -14.3233 -14.3233 -6.7605 -6.7605 -5.6151 -5.6151 -5.1805 -5.1805 -4.8213 -4.8213 5.9957 5.9957 6.2244 6.2244 6.3487 6.3487 6.3585 6.3585 8.1278 8.1278 8.2014 8.2014 9.3281 9.3281 9.3367 9.3367 9.7167 9.7167 10.3106 10.3106 10.4892 10.4892 10.4982 10.4982 14.5389 14.5389 15.0464 15.0464 15.5944 15.5944 15.7953 15.7953 17.0042 17.0042 k = 0.0000 0.0000 0.0687 ( 2594 PWs) bands (ev): -37.0071 -37.0071 -36.9675 -36.9675 -16.3425 -16.3425 -16.1172 -16.1172 -14.7531 -14.7531 -14.4489 -14.4489 -14.3641 -14.3641 -14.3243 -14.3243 -6.7492 -6.7492 -5.6096 -5.6096 -5.1946 -5.1946 -4.8275 -4.8275 6.0177 6.0177 6.2508 6.2508 6.3567 6.3567 6.3662 6.3662 8.0946 8.0946 8.1652 8.1652 9.3587 9.3587 9.3650 9.3650 9.6756 9.6756 10.2663 10.2663 10.4910 10.4910 10.5002 10.5002 14.5459 14.5459 15.0577 15.0577 15.5849 15.5849 15.7925 15.7925 17.0401 17.0401 k = 0.0000 0.0000 0.0802 ( 2602 PWs) bands (ev): -37.0067 -37.0067 -36.9680 -36.9680 -16.3404 -16.3404 -16.1192 -16.1192 -14.7500 -14.7500 -14.4478 -14.4478 -14.3683 -14.3683 -14.3254 -14.3254 -6.7358 -6.7358 -5.6030 -5.6030 -5.2110 -5.2110 -4.8348 -4.8348 6.0436 6.0436 6.2819 6.2819 6.3662 6.3662 6.3752 6.3752 8.0577 8.0577 8.1251 8.1251 9.3918 9.3918 9.3962 9.3962 9.6281 9.6281 10.2148 10.2148 10.4932 10.4932 10.5025 10.5025 14.5541 14.5541 15.0710 15.0710 15.5737 15.5737 15.7898 15.7898 17.0816 17.0816 k = 0.0000 0.0000 0.0917 ( 2598 PWs) bands (ev): -37.0063 -37.0063 -36.9684 -36.9684 -16.3379 -16.3379 -16.1215 -16.1215 -14.7465 -14.7465 -14.4465 -14.4465 -14.3731 -14.3731 -14.3267 -14.3267 -6.7205 -6.7205 -5.5954 -5.5954 -5.2296 -5.2296 -4.8432 -4.8432 6.0734 6.0734 6.3175 6.3175 6.3771 6.3771 6.3856 6.3856 8.0177 8.0177 8.0820 8.0820 9.4267 9.4267 9.4294 9.4294 9.5745 9.5745 10.1565 10.1565 10.4957 10.4957 10.5050 10.5050 14.5636 14.5636 15.0862 15.0862 15.5609 15.5609 15.7872 15.7872 17.1283 17.1283 k = 0.0000 0.0000 0.1031 ( 2590 PWs) bands (ev): -37.0057 -37.0057 -36.9689 -36.9689 -16.3352 -16.3352 -16.1241 -16.1241 -14.7426 -14.7426 -14.4450 -14.4450 -14.3784 -14.3784 -14.3282 -14.3282 -6.7033 -6.7033 -5.5869 -5.5869 -5.2505 -5.2505 -4.8527 -4.8527 6.1071 6.1071 6.3575 6.3575 6.3896 6.3896 6.3974 6.3974 7.9752 7.9752 8.0364 8.0364 9.4611 9.4611 9.4642 9.4642 9.5167 9.5167 10.0918 10.0918 10.4986 10.4986 10.5079 10.5079 14.5743 14.5743 15.1031 15.1031 15.5466 15.5466 15.7847 15.7847 17.1796 17.1796 k = 0.0000 0.0000 0.1146 ( 2582 PWs) bands (ev): -37.0053 -37.0053 -36.9693 -36.9693 -16.3322 -16.3322 -16.1270 -16.1270 -14.7382 -14.7382 -14.4434 -14.4434 -14.3844 -14.3844 -14.3299 -14.3299 -6.6841 -6.6841 -5.5774 -5.5774 -5.2735 -5.2735 -4.8632 -4.8632 6.1447 6.1447 6.3992 6.3992 6.4062 6.4062 6.4105 6.4105 7.9306 7.9306 7.9889 7.9889 9.4443 9.4443 9.5000 9.5000 9.5053 9.5053 10.0212 10.0212 10.5018 10.5018 10.5110 10.5110 14.5862 14.5862 15.1218 15.1218 15.5308 15.5308 15.7825 15.7825 17.2353 17.2353 k = 0.0000 0.0000 0.1260 ( 2582 PWs) bands (ev): -37.0047 -37.0047 -36.9699 -36.9699 -16.3289 -16.3289 -16.1302 -16.1302 -14.7333 -14.7333 -14.4416 -14.4416 -14.3908 -14.3908 -14.3317 -14.3317 -6.6632 -6.6632 -5.5670 -5.5670 -5.2985 -5.2985 -4.8749 -4.8749 6.1861 6.1861 6.4178 6.4178 6.4250 6.4250 6.4515 6.4515 7.8846 7.8846 7.9400 7.9400 9.3757 9.3757 9.5362 9.5362 9.5408 9.5408 9.9452 9.9452 10.5052 10.5052 10.5142 10.5142 14.5992 14.5992 15.1420 15.1420 15.5136 15.5136 15.7806 15.7806 17.2948 17.2948 k = 0.0000 0.0000 0.1375 ( 2578 PWs) bands (ev): -37.0041 -37.0041 -36.9705 -36.9705 -16.3253 -16.3253 -16.1337 -16.1337 -14.7281 -14.7281 -14.4397 -14.4397 -14.3978 -14.3978 -14.3337 -14.3337 -6.6405 -6.6405 -5.5557 -5.5557 -5.3253 -5.3253 -4.8876 -4.8876 6.2312 6.2312 6.4346 6.4346 6.4408 6.4408 6.5043 6.5043 7.8374 7.8374 7.8901 7.8901 9.3007 9.3007 9.5725 9.5725 9.5778 9.5778 9.8643 9.8643 10.5088 10.5088 10.5176 10.5176 14.6134 14.6134 15.1637 15.1637 15.4951 15.4951 15.7789 15.7789 17.3578 17.3578 k = 0.0000 0.0000 0.1489 ( 2586 PWs) bands (ev): -37.0034 -37.0034 -36.9712 -36.9712 -16.3215 -16.3215 -16.1374 -16.1374 -14.7224 -14.7224 -14.4377 -14.4377 -14.4052 -14.4052 -14.3358 -14.3358 -6.6160 -6.6160 -5.5435 -5.5435 -5.3540 -5.3540 -4.9012 -4.9012 6.2801 6.2801 6.4526 6.4526 6.4579 6.4579 6.5612 6.5612 7.7894 7.7894 7.8394 7.8394 9.2212 9.2212 9.6085 9.6085 9.6142 9.6142 9.7792 9.7792 10.5126 10.5126 10.5211 10.5211 14.6287 14.6287 15.1867 15.1867 15.4753 15.4753 15.7773 15.7773 17.4239 17.4239 k = 0.0000 0.0000 0.1604 ( 2586 PWs) bands (ev): -37.0027 -37.0027 -36.9719 -36.9719 -16.3174 -16.3174 -16.1413 -16.1413 -14.7163 -14.7163 -14.4355 -14.4355 -14.4131 -14.4131 -14.3380 -14.3380 -6.5899 -6.5899 -5.5305 -5.5305 -5.3843 -5.3843 -4.9159 -4.9159 6.3325 6.3325 6.4719 6.4719 6.4764 6.4764 6.6220 6.6220 7.7409 7.7409 7.7883 7.7883 9.1378 9.1378 9.6438 9.6438 9.6477 9.6477 9.6921 9.6921 10.5165 10.5165 10.5247 10.5247 14.6452 14.6452 15.2110 15.2110 15.4543 15.4543 15.7757 15.7757 17.4928 17.4928 k = 0.0000 0.0000 0.1718 ( 2586 PWs) bands (ev): -37.0020 -37.0020 -36.9727 -36.9727 -16.3131 -16.3131 -16.1455 -16.1455 -14.7098 -14.7098 -14.4333 -14.4333 -14.4213 -14.4213 -14.3404 -14.3404 -6.5622 -6.5622 -5.5166 -5.5166 -5.4162 -5.4162 -4.9314 -4.9314 6.3884 6.3884 6.4927 6.4927 6.4961 6.4961 6.6867 6.6867 7.6920 7.6920 7.7370 7.7370 9.0510 9.0510 9.5942 9.5942 9.6783 9.6783 9.6874 9.6874 10.5204 10.5204 10.5284 10.5284 14.6627 14.6627 15.2364 15.2364 15.4322 15.4322 15.7741 15.7741 17.5642 17.5642 k = 0.0000 0.0000 0.1833 ( 2586 PWs) bands (ev): -37.0012 -37.0012 -36.9735 -36.9735 -16.3085 -16.3085 -16.1500 -16.1500 -14.7029 -14.7029 -14.4321 -14.4321 -14.4287 -14.4287 -14.3429 -14.3429 -6.5329 -6.5329 -5.5019 -5.5019 -5.4496 -5.4496 -4.9478 -4.9478 6.4477 6.4477 6.5148 6.5148 6.5171 6.5171 6.7550 6.7550 7.6432 7.6432 7.6857 7.6857 8.9611 8.9611 9.4988 9.4988 9.7115 9.7115 9.7202 9.7202 10.5244 10.5244 10.5320 10.5320 14.6812 14.6812 15.2627 15.2627 15.4090 15.4090 15.7722 15.7722 17.6378 17.6378 k = 0.0000 0.0000 0.1948 ( 2594 PWs) bands (ev): -37.0004 -37.0004 -36.9744 -36.9744 -16.3038 -16.3038 -16.1546 -16.1546 -14.6956 -14.6956 -14.4396 -14.4396 -14.4277 -14.4277 -14.3455 -14.3455 -6.5022 -6.5022 -5.4865 -5.4865 -5.4843 -5.4843 -4.9651 -4.9651 6.5098 6.5098 6.5387 6.5387 6.5393 6.5393 6.8269 6.8269 7.5945 7.5945 7.6346 7.6346 8.8686 8.8686 9.4000 9.4000 9.7434 9.7434 9.7520 9.7520 10.5284 10.5284 10.5356 10.5356 14.7008 14.7008 15.2898 15.2898 15.3849 15.3849 15.7699 15.7699 17.7132 17.7132 k = 0.0000 0.0000 0.2062 ( 2602 PWs) bands (ev): -36.9996 -36.9996 -36.9752 -36.9752 -16.2988 -16.2988 -16.1595 -16.1595 -14.6880 -14.6880 -14.4488 -14.4488 -14.4252 -14.4252 -14.3483 -14.3483 -6.4701 -6.4701 -5.5203 -5.5203 -5.4703 -5.4703 -4.9830 -4.9830 6.5598 6.5598 6.5627 6.5627 6.5793 6.5793 6.9022 6.9022 7.5461 7.5461 7.5839 7.5839 8.7739 8.7739 9.2988 9.2988 9.7737 9.7737 9.7822 9.7822 10.5323 10.5323 10.5391 10.5391 14.7213 14.7213 15.3175 15.3175 15.3599 15.3599 15.7670 15.7670 17.7905 17.7905 k = 0.0000 0.0000 0.2177 ( 2614 PWs) bands (ev): -36.9988 -36.9988 -36.9761 -36.9761 -16.2936 -16.2936 -16.1645 -16.1645 -14.6800 -14.6800 -14.4585 -14.4585 -14.4224 -14.4224 -14.3511 -14.3511 -6.4367 -6.4367 -5.5574 -5.5574 -5.4534 -5.4534 -5.0017 -5.0017 6.5869 6.5869 6.5873 6.5873 6.6471 6.6471 6.9807 6.9807 7.4982 7.4982 7.5338 7.5338 8.6773 8.6773 9.1955 9.1955 9.8022 9.8022 9.8105 9.8105 10.5361 10.5361 10.5424 10.5424 14.7427 14.7427 15.3342 15.3342 15.3457 15.3457 15.7633 15.7633 17.8692 17.8692 k = 0.0000 0.0000 0.2291 ( 2614 PWs) bands (ev): -36.9979 -36.9979 -36.9771 -36.9771 -16.2883 -16.2883 -16.1697 -16.1697 -14.6717 -14.6717 -14.4684 -14.4684 -14.4195 -14.4195 -14.3541 -14.3541 -6.4021 -6.4021 -5.5954 -5.5954 -5.4358 -5.4358 -5.0210 -5.0210 6.6129 6.6129 6.6138 6.6138 6.7192 6.7192 7.0624 7.0624 7.4511 7.4511 7.4844 7.4844 8.5793 8.5793 9.0905 9.0905 9.8289 9.8289 9.8369 9.8369 10.5397 10.5397 10.5456 10.5456 14.7650 14.7650 15.3078 15.3078 15.3741 15.3741 15.7586 15.7586 17.9494 17.9494 k = 0.0000 0.0000 0.2406 ( 2614 PWs) bands (ev): -36.9969 -36.9969 -36.9780 -36.9780 -16.2828 -16.2828 -16.1751 -16.1751 -14.6631 -14.6631 -14.4785 -14.4785 -14.4165 -14.4165 -14.3571 -14.3571 -6.3663 -6.3663 -5.6344 -5.6344 -5.4176 -5.4176 -5.0408 -5.0408 6.6395 6.6395 6.6416 6.6416 6.7944 6.7944 7.1470 7.1470 7.4049 7.4049 7.4358 7.4358 8.4801 8.4801 8.9843 8.9843 9.8534 9.8534 9.8610 9.8610 10.5432 10.5432 10.5486 10.5486 14.7881 14.7881 15.2808 15.2808 15.4027 15.4027 15.7529 15.7529 18.0309 18.0309 k = 0.0000 0.0000 0.2520 ( 2614 PWs) bands (ev): -36.9960 -36.9960 -36.9790 -36.9790 -16.2771 -16.2771 -16.1807 -16.1807 -14.6542 -14.6542 -14.4889 -14.4889 -14.4135 -14.4135 -14.3602 -14.3602 -6.3294 -6.3294 -5.6742 -5.6742 -5.3988 -5.3988 -5.0611 -5.0611 6.6669 6.6669 6.6701 6.6701 6.8724 6.8724 7.2345 7.2345 7.3599 7.3599 7.3884 7.3884 8.3801 8.3801 8.8770 8.8770 9.8758 9.8758 9.8828 9.8828 10.5465 10.5465 10.5513 10.5513 14.8121 14.8121 15.2533 15.2533 15.4311 15.4311 15.7459 15.7459 18.1134 18.1134 k = 0.0000 0.0000 0.2635 ( 2622 PWs) bands (ev): -36.9950 -36.9950 -36.9801 -36.9801 -16.2714 -16.2714 -16.1864 -16.1864 -14.6450 -14.6450 -14.4994 -14.4994 -14.4103 -14.4103 -14.3634 -14.3634 -6.2916 -6.2916 -5.7147 -5.7147 -5.3795 -5.3795 -5.0819 -5.0819 6.6950 6.6950 6.6992 6.6992 6.9530 6.9530 7.3145 7.3145 7.3264 7.3264 7.3424 7.3424 8.2795 8.2795 8.7691 8.7691 9.8959 9.8959 9.9023 9.9023 10.5495 10.5495 10.5538 10.5538 14.8367 14.8367 15.2253 15.2253 15.4592 15.4592 15.7374 15.7374 18.1969 18.1969 k = 0.0000 0.0000 0.2750 ( 2622 PWs) bands (ev): -36.9939 -36.9939 -36.9811 -36.9811 -16.2655 -16.2655 -16.1922 -16.1922 -14.6355 -14.6355 -14.5100 -14.5100 -14.4071 -14.4071 -14.3666 -14.3666 -6.2529 -6.2529 -5.7557 -5.7557 -5.3597 -5.3597 -5.1030 -5.1030 6.7234 6.7234 6.7286 6.7286 7.0360 7.0360 7.2745 7.2745 7.2980 7.2980 7.4176 7.4176 8.1787 8.1787 8.6608 8.6608 9.9136 9.9136 9.9192 9.9192 10.5522 10.5522 10.5559 10.5559 14.8621 14.8621 15.1971 15.1971 15.4869 15.4869 15.7275 15.7275 18.2810 18.2810 k = 0.0000 0.0000 0.2864 ( 2630 PWs) bands (ev): -36.9929 -36.9929 -36.9822 -36.9822 -16.2595 -16.2595 -16.1981 -16.1981 -14.6258 -14.6258 -14.5207 -14.5207 -14.4038 -14.4038 -14.3699 -14.3699 -6.2135 -6.2135 -5.7972 -5.7972 -5.3394 -5.3394 -5.1244 -5.1244 6.7518 6.7518 6.7578 6.7578 7.1205 7.1205 7.2362 7.2362 7.2558 7.2558 7.5125 7.5125 8.0780 8.0780 8.5523 8.5523 9.9288 9.9288 9.9336 9.9336 10.5546 10.5546 10.5578 10.5578 14.8881 14.8881 15.1686 15.1686 15.5139 15.5139 15.7160 15.7160 18.3651 18.3652 k = 0.0000 0.0000 0.2979 ( 2626 PWs) bands (ev): -36.9918 -36.9918 -36.9832 -36.9832 -16.2534 -16.2534 -16.2041 -16.2041 -14.6159 -14.6159 -14.5314 -14.5314 -14.4005 -14.4005 -14.3733 -14.3733 -6.1733 -6.1733 -5.8390 -5.8390 -5.3188 -5.3188 -5.1460 -5.1460 6.7796 6.7796 6.7861 6.7861 7.1855 7.1855 7.2164 7.2164 7.2227 7.2227 7.6097 7.6097 7.9775 7.9775 8.4440 8.4440 9.9414 9.9414 9.9453 9.9453 10.5567 10.5567 10.5592 10.5592 14.9147 14.9147 15.1399 15.1399 15.5401 15.5401 15.7028 15.7028 18.4489 18.4544 k = 0.0000 0.0000 0.3093 ( 2618 PWs) bands (ev): -36.9908 -36.9908 -36.9842 -36.9842 -16.2473 -16.2473 -16.2102 -16.2102 -14.6057 -14.6057 -14.5422 -14.5422 -14.3971 -14.3971 -14.3767 -14.3767 -6.1325 -6.1325 -5.8811 -5.8811 -5.2977 -5.2977 -5.1677 -5.1677 6.8056 6.8056 6.8120 6.8120 7.1629 7.1629 7.1809 7.1809 7.3035 7.3035 7.7089 7.7089 7.8777 7.8777 8.3361 8.3361 9.9514 9.9514 9.9544 9.9544 10.5584 10.5584 10.5603 10.5603 14.9418 14.9418 15.1112 15.1112 15.5653 15.5653 15.6880 15.6880 18.5405 18.5466 k = 0.0000 0.0000 0.3208 ( 2622 PWs) bands (ev): -36.9897 -36.9897 -36.9853 -36.9853 -16.2411 -16.2411 -16.2163 -16.2163 -14.5954 -14.5954 -14.5530 -14.5530 -14.3938 -14.3938 -14.3801 -14.3801 -6.0913 -6.0913 -5.9233 -5.9233 -5.2764 -5.2764 -5.1896 -5.1896 6.8281 6.8281 6.8336 6.8336 7.1384 7.1384 7.1511 7.1511 7.3947 7.3947 7.7786 7.7786 7.8100 7.8100 8.2288 8.2288 9.9587 9.9587 9.9608 9.9608 10.5597 10.5597 10.5610 10.5610 14.9693 14.9693 15.0825 15.0825 15.5893 15.5893 15.6714 15.6714 18.5693 18.5694 k = 0.0000 0.0000 0.3322 ( 2622 PWs) bands (ev): -36.9886 -36.9886 -36.9864 -36.9864 -16.2349 -16.2349 -16.2225 -16.2225 -14.5850 -14.5850 -14.5637 -14.5637 -14.3903 -14.3903 -14.3835 -14.3835 -6.0496 -6.0496 -5.9655 -5.9655 -5.2549 -5.2549 -5.2114 -5.2114 6.8446 6.8446 6.8478 6.8478 7.1228 7.1228 7.1296 7.1296 7.4883 7.4883 7.6805 7.6805 7.9127 7.9127 8.1223 8.1223 9.9634 9.9634 9.9644 9.9644 10.5606 10.5606 10.5613 10.5613 14.9972 14.9972 15.0539 15.0539 15.6121 15.6121 15.6532 15.6532 18.5817 18.5844 k = 0.0000 0.0000 0.3437 ( 2622 PWs) bands (ev): -36.9875 -36.9875 -36.9875 -36.9875 -16.2287 -16.2287 -16.2287 -16.2287 -14.5744 -14.5744 -14.5744 -14.5744 -14.3869 -14.3869 -14.3869 -14.3869 -6.0077 -6.0077 -6.0077 -6.0077 -5.2332 -5.2332 -5.2332 -5.2332 6.8518 6.8518 6.8518 6.8518 7.1195 7.1195 7.1195 7.1195 7.5837 7.5837 7.5837 7.5837 8.0168 8.0168 8.0168 8.0168 9.9652 9.9652 9.9652 9.9652 10.5611 10.5611 10.5611 10.5611 15.0254 15.0254 15.0254 15.0254 15.6334 15.6334 15.6334 15.6334 18.5880 18.5880 k = 0.0000 0.0000 0.3437 ( 2622 PWs) bands (ev): -36.9875 -36.9875 -36.9875 -36.9875 -16.2287 -16.2287 -16.2287 -16.2287 -14.5744 -14.5744 -14.5744 -14.5744 -14.3869 -14.3869 -14.3869 -14.3869 -6.0077 -6.0077 -6.0077 -6.0077 -5.2332 -5.2332 -5.2332 -5.2332 6.8518 6.8518 6.8518 6.8518 7.1195 7.1195 7.1195 7.1195 7.5837 7.5837 7.5837 7.5837 8.0168 8.0168 8.0168 8.0168 9.9652 9.9652 9.9652 9.9652 10.5611 10.5611 10.5611 10.5611 15.0254 15.0254 15.0254 15.0254 15.6334 15.6334 15.6334 15.6334 18.5880 18.5880 k = 0.0000 0.0114 0.3437 ( 2622 PWs) bands (ev): -36.9875 -36.9875 -36.9875 -36.9875 -16.2305 -16.2305 -16.2271 -16.2271 -14.5769 -14.5769 -14.5722 -14.5722 -14.3872 -14.3872 -14.3869 -14.3869 -6.0077 -6.0077 -6.0066 -6.0066 -5.2342 -5.2342 -5.2322 -5.2322 6.8507 6.8507 6.8524 6.8524 7.1166 7.1166 7.1197 7.1197 7.5843 7.5843 7.5873 7.5873 8.0187 8.0187 8.0191 8.0191 9.9633 9.9633 9.9646 9.9646 10.5590 10.5590 10.5601 10.5601 15.0252 15.0252 15.0272 15.0272 15.6319 15.6319 15.6347 15.6347 18.5648 18.5687 k = 0.0000 0.0227 0.3437 ( 2622 PWs) bands (ev): -36.9874 -36.9874 -36.9874 -36.9874 -16.2324 -16.2324 -16.2258 -16.2258 -14.5797 -14.5797 -14.5703 -14.5703 -14.3879 -14.3879 -14.3869 -14.3869 -6.0068 -6.0068 -6.0046 -6.0046 -5.2350 -5.2350 -5.2309 -5.2309 6.8480 6.8480 6.8536 6.8536 7.1085 7.1085 7.1200 7.1200 7.5862 7.5862 7.5976 7.5976 8.0247 8.0247 8.0254 8.0254 9.9577 9.9577 9.9624 9.9624 10.5527 10.5527 10.5568 10.5568 15.0245 15.0245 15.0324 15.0324 15.6292 15.6292 15.6367 15.6367 18.5152 18.5152 k = 0.0000 0.0341 0.3437 ( 2622 PWs) bands (ev): -36.9874 -36.9874 -36.9874 -36.9874 -16.2346 -16.2346 -16.2247 -16.2247 -14.5828 -14.5828 -14.5687 -14.5687 -14.3891 -14.3891 -14.3870 -14.3870 -6.0050 -6.0050 -6.0015 -6.0015 -5.2356 -5.2356 -5.2294 -5.2294 6.8437 6.8437 6.8556 6.8556 7.0960 7.0960 7.1205 7.1205 7.5895 7.5895 7.6140 7.6140 8.0347 8.0347 8.0357 8.0357 9.9484 9.9484 9.9588 9.9588 10.5424 10.5424 10.5513 10.5513 15.0235 15.0235 15.0411 15.0411 15.6248 15.6248 15.6398 15.6398 18.4538 18.4538 k = 0.0000 0.0455 0.3437 ( 2620 PWs) bands (ev): -36.9872 -36.9872 -36.9872 -36.9872 -16.2369 -16.2369 -16.2238 -16.2238 -14.5863 -14.5863 -14.5673 -14.5673 -14.3907 -14.3907 -14.3872 -14.3872 -6.0022 -6.0022 -5.9975 -5.9975 -5.2362 -5.2362 -5.2277 -5.2277 6.8378 6.8378 6.8584 6.8584 7.0800 7.0800 7.1212 7.1212 7.5939 7.5939 7.6353 7.6353 8.0486 8.0486 8.0499 8.0499 9.9354 9.9354 9.9537 9.9537 10.5281 10.5281 10.5438 10.5438 15.0221 15.0221 15.0530 15.0530 15.6186 15.6186 15.6439 15.6439 18.3876 18.3876 k = 0.0000 0.0568 0.3437 ( 2616 PWs) bands (ev): -36.9870 -36.9870 -36.9870 -36.9870 -16.2394 -16.2394 -16.2231 -16.2231 -14.5901 -14.5901 -14.5663 -14.5663 -14.3927 -14.3927 -14.3873 -14.3873 -5.9987 -5.9987 -5.9926 -5.9926 -5.2367 -5.2367 -5.2256 -5.2256 6.8307 6.8307 6.8620 6.8620 7.0617 7.0617 7.1221 7.1221 7.5996 7.5996 7.6603 7.6603 8.0666 8.0666 8.0678 8.0678 9.9190 9.9190 9.9472 9.9472 10.5099 10.5099 10.5342 10.5342 15.0204 15.0204 15.0680 15.0680 15.6107 15.6107 15.6489 15.6489 18.3194 18.3194 k = 0.0000 0.0682 0.3437 ( 2612 PWs) bands (ev): -36.9868 -36.9868 -36.9868 -36.9868 -16.2421 -16.2421 -16.2227 -16.2227 -14.5942 -14.5942 -14.5655 -14.5655 -14.3951 -14.3951 -14.3875 -14.3875 -5.9944 -5.9944 -5.9868 -5.9868 -5.2371 -5.2371 -5.2232 -5.2232 6.8226 6.8226 6.8664 6.8664 7.0419 7.0419 7.1232 7.1232 7.6063 7.6063 7.6882 7.6882 8.0884 8.0884 8.0890 8.0890 9.8991 9.8991 9.9394 9.9394 10.4881 10.4881 10.5228 10.5228 15.0183 15.0183 15.0858 15.0858 15.6010 15.6010 15.6547 15.6547 18.2505 18.2505 k = 0.0000 0.0795 0.3437 ( 2612 PWs) bands (ev): -36.9866 -36.9866 -36.9866 -36.9866 -16.2449 -16.2449 -16.2225 -16.2225 -14.5987 -14.5987 -14.5651 -14.5651 -14.3979 -14.3979 -14.3876 -14.3876 -5.9895 -5.9895 -5.9802 -5.9802 -5.2373 -5.2373 -5.2204 -5.2204 6.8138 6.8138 6.8714 6.8714 7.0215 7.0215 7.1245 7.1245 7.6141 7.6141 7.7181 7.7181 8.1129 8.1129 8.1143 8.1143 9.8758 9.8758 9.9301 9.9301 10.4628 10.4628 10.5095 10.5095 15.0161 15.0161 15.1062 15.1062 15.5894 15.5894 15.6611 15.6611 18.1816 18.1816 k = 0.0000 0.0909 0.3437 ( 2606 PWs) bands (ev): -36.9863 -36.9863 -36.9863 -36.9863 -16.2479 -16.2479 -16.2225 -16.2225 -14.6035 -14.6035 -14.5649 -14.5649 -14.4009 -14.4009 -14.3878 -14.3878 -5.9840 -5.9840 -5.9729 -5.9729 -5.2372 -5.2372 -5.2170 -5.2170 6.8046 6.8046 6.8772 6.8772 7.0010 7.0010 7.1261 7.1261 7.6229 7.6229 7.7495 7.7495 8.1397 8.1397 8.1436 8.1436 9.8495 9.8495 9.9196 9.9196 10.4343 10.4343 10.4947 10.4947 15.0136 15.0136 15.1288 15.1288 15.5760 15.5760 15.6678 15.6678 18.1131 18.1131 k = 0.0000 0.1023 0.3437 ( 2606 PWs) bands (ev): -36.9861 -36.9861 -36.9860 -36.9860 -16.2509 -16.2509 -16.2228 -16.2228 -14.6086 -14.6086 -14.5651 -14.5651 -14.4041 -14.4041 -14.3880 -14.3880 -5.9780 -5.9780 -5.9649 -5.9649 -5.2369 -5.2369 -5.2132 -5.2132 6.7952 6.7952 6.8836 6.8836 6.9811 6.9811 7.1278 7.1278 7.6326 7.6326 7.7819 7.7819 8.1688 8.1688 8.1764 8.1764 9.8201 9.8201 9.9077 9.9077 10.4029 10.4029 10.4783 10.4783 15.0110 15.0110 15.1533 15.1533 15.5607 15.5607 15.6746 15.6746 18.0452 18.0452 k = 0.0000 0.1136 0.3437 ( 2610 PWs) bands (ev): -36.9858 -36.9858 -36.9858 -36.9858 -16.2541 -16.2541 -16.2234 -16.2234 -14.6140 -14.6140 -14.5656 -14.5656 -14.4074 -14.4074 -14.3881 -14.3881 -5.9717 -5.9717 -5.9565 -5.9565 -5.2363 -5.2363 -5.2088 -5.2088 6.7858 6.7858 6.8905 6.8905 6.9621 6.9621 7.1298 7.1298 7.6433 7.6433 7.8151 7.8151 8.1998 8.1998 8.2124 8.2124 9.7879 9.7879 9.8946 9.8946 10.3688 10.3688 10.4607 10.4607 15.0085 15.0085 15.1793 15.1793 15.5436 15.5436 15.6813 15.6813 17.9780 17.9780 k = 0.0000 0.1250 0.3437 ( 2600 PWs) bands (ev): -36.9854 -36.9854 -36.9854 -36.9854 -16.2575 -16.2575 -16.2242 -16.2242 -14.6196 -14.6196 -14.5666 -14.5666 -14.4108 -14.4108 -14.3883 -14.3883 -5.9652 -5.9652 -5.9477 -5.9477 -5.2352 -5.2352 -5.2037 -5.2037 6.7769 6.7769 6.8975 6.8975 6.9447 6.9447 7.1320 7.1320 7.6547 7.6547 7.8490 7.8490 8.2323 8.2323 8.2513 8.2513 9.7531 9.7531 9.8804 9.8804 10.3324 10.3324 10.4419 10.4419 15.0059 15.0059 15.2065 15.2065 15.5248 15.5248 15.6875 15.6875 17.9116 17.9116 k = 0.0000 0.1364 0.3437 ( 2596 PWs) bands (ev): -36.9850 -36.9850 -36.9850 -36.9850 -16.2609 -16.2609 -16.2253 -16.2253 -14.6256 -14.6256 -14.5679 -14.5679 -14.4142 -14.4142 -14.3884 -14.3884 -5.9585 -5.9585 -5.9386 -5.9386 -5.2337 -5.2337 -5.1980 -5.1980 6.7684 6.7684 6.9030 6.9030 6.9307 6.9307 7.1343 7.1343 7.6670 7.6670 7.8835 7.8835 8.2660 8.2660 8.2927 8.2927 9.7158 9.7158 9.8650 9.8650 10.2938 10.2938 10.4222 10.4222 15.0035 15.0035 15.2344 15.2344 15.5044 15.5044 15.6929 15.6929 17.8460 17.8460 k = 0.0000 0.1477 0.3437 ( 2592 PWs) bands (ev): -36.9846 -36.9846 -36.9846 -36.9846 -16.2643 -16.2643 -16.2266 -16.2266 -14.6317 -14.6317 -14.5698 -14.5698 -14.4175 -14.4175 -14.3885 -14.3885 -5.9518 -5.9518 -5.9294 -5.9294 -5.2315 -5.2315 -5.1917 -5.1917 6.7607 6.7607 6.9007 6.9007 6.9264 6.9264 7.1369 7.1369 7.6799 7.6799 7.9186 7.9186 8.3005 8.3005 8.3362 8.3362 9.6763 9.6763 9.8485 9.8485 10.2535 10.2535 10.4018 10.4018 15.0013 15.0013 15.2626 15.2626 15.4825 15.4825 15.6973 15.6973 17.7812 17.7812 k = 0.0000 0.1591 0.3437 ( 2590 PWs) bands (ev): -36.9842 -36.9842 -36.9842 -36.9842 -16.2679 -16.2679 -16.2282 -16.2282 -14.6380 -14.6380 -14.5721 -14.5721 -14.4207 -14.4207 -14.3886 -14.3886 -5.9452 -5.9452 -5.9203 -5.9203 -5.2287 -5.2287 -5.1845 -5.1845 6.7538 6.7538 6.8903 6.8903 6.9324 6.9324 7.1397 7.1397 7.6936 7.6936 7.9543 7.9543 8.3355 8.3355 8.3815 8.3815 9.6348 9.6348 9.8310 9.8310 10.2116 10.2116 10.3807 10.3807 14.9993 14.9993 15.2906 15.2906 15.4593 15.4593 15.7003 15.7003 17.7173 17.7173 k = 0.0000 0.1705 0.3437 ( 2598 PWs) bands (ev): -36.9838 -36.9838 -36.9838 -36.9838 -16.2715 -16.2715 -16.2300 -16.2300 -14.6445 -14.6445 -14.5749 -14.5749 -14.4236 -14.4236 -14.3886 -14.3886 -5.9388 -5.9388 -5.9114 -5.9114 -5.2251 -5.2251 -5.1767 -5.1767 6.7480 6.7480 6.8786 6.8786 6.9416 6.9416 7.1427 7.1427 7.7079 7.7079 7.9906 7.9906 8.3708 8.3708 8.4283 8.4283 9.5915 9.5915 9.8126 9.8126 10.1684 10.1684 10.3594 10.3594 14.9978 14.9978 15.3179 15.3179 15.4352 15.4352 15.7017 15.7017 17.6541 17.6541 k = 0.0000 0.1818 0.3437 ( 2594 PWs) bands (ev): -36.9833 -36.9833 -36.9833 -36.9833 -16.2752 -16.2752 -16.2321 -16.2321 -14.6511 -14.6511 -14.5783 -14.5783 -14.4262 -14.4262 -14.3886 -14.3886 -5.9327 -5.9327 -5.9028 -5.9028 -5.2206 -5.2206 -5.1681 -5.1681 6.7432 6.7432 6.8678 6.8678 6.9521 6.9521 7.1459 7.1459 7.7227 7.7227 8.0276 8.0276 8.4059 8.4059 8.4761 8.4761 9.5466 9.5466 9.7933 9.7933 10.1243 10.1243 10.3378 10.3378 14.9966 14.9966 15.3430 15.3430 15.4115 15.4115 15.7013 15.7013 17.5918 17.5918 k = 0.0000 0.1932 0.3437 ( 2594 PWs) bands (ev): -36.9828 -36.9828 -36.9828 -36.9828 -16.2788 -16.2788 -16.2345 -16.2345 -14.6577 -14.6577 -14.5822 -14.5822 -14.4285 -14.4285 -14.3886 -14.3886 -5.9269 -5.9269 -5.8946 -5.8946 -5.2153 -5.2153 -5.1587 -5.1587 6.7397 6.7397 6.8583 6.8583 6.9634 6.9634 7.1493 7.1493 7.7381 7.7381 8.0652 8.0652 8.4407 8.4407 8.5248 8.5248 9.5003 9.5003 9.7732 9.7732 10.0795 10.0795 10.3162 10.3162 14.9960 14.9960 15.3586 15.3586 15.3953 15.3953 15.6986 15.6986 17.5303 17.5303 k = 0.0000 0.2045 0.3437 ( 2590 PWs) bands (ev): -36.9824 -36.9824 -36.9824 -36.9824 -16.2825 -16.2825 -16.2370 -16.2370 -14.6644 -14.6644 -14.5866 -14.5866 -14.4304 -14.4304 -14.3886 -14.3886 -5.9216 -5.9216 -5.8870 -5.8870 -5.2090 -5.2090 -5.1486 -5.1486 6.7374 6.7374 6.8503 6.8503 6.9752 6.9752 7.1529 7.1529 7.7539 7.7539 8.1033 8.1033 8.4748 8.4748 8.5740 8.5740 9.4528 9.4528 9.7524 9.7524 10.0343 10.0343 10.2948 10.2948 14.9960 14.9960 15.3456 15.3456 15.4057 15.4057 15.6937 15.6937 17.4698 17.4698 k = 0.0000 0.2159 0.3437 ( 2586 PWs) bands (ev): -36.9819 -36.9819 -36.9819 -36.9819 -16.2862 -16.2862 -16.2398 -16.2398 -14.6711 -14.6711 -14.5916 -14.5916 -14.4319 -14.4319 -14.3885 -14.3885 -5.9167 -5.9167 -5.8801 -5.8801 -5.2017 -5.2017 -5.1378 -5.1378 6.7364 6.7364 6.8438 6.8438 6.9874 6.9874 7.1566 7.1566 7.7701 7.7701 8.1420 8.1420 8.5081 8.5081 8.6234 8.6234 9.4045 9.4045 9.7310 9.7310 9.9888 9.9888 10.2737 10.2737 14.9967 14.9967 15.3204 15.3204 15.4262 15.4262 15.6861 15.6861 17.4102 17.4102 k = 0.0000 0.2273 0.3437 ( 2590 PWs) bands (ev): -36.9814 -36.9814 -36.9814 -36.9814 -16.2899 -16.2899 -16.2428 -16.2428 -14.6777 -14.6777 -14.5970 -14.5970 -14.4330 -14.4330 -14.3885 -14.3885 -5.9124 -5.9124 -5.8740 -5.8740 -5.1934 -5.1934 -5.1264 -5.1264 6.7367 6.7367 6.8388 6.8388 7.0001 7.0001 7.1605 7.1605 7.7866 7.7866 8.1812 8.1812 8.5403 8.5403 8.6727 8.6727 9.3555 9.3555 9.7090 9.7090 9.9434 9.9434 10.2529 10.2529 14.9981 14.9981 15.2931 15.2931 15.4466 15.4466 15.6759 15.6759 17.3517 17.3517 k = 0.0000 0.2386 0.3437 ( 2586 PWs) bands (ev): -36.9809 -36.9809 -36.9809 -36.9809 -16.2935 -16.2935 -16.2460 -16.2460 -14.6842 -14.6842 -14.6029 -14.6029 -14.4337 -14.4337 -14.3884 -14.3884 -5.9085 -5.9085 -5.8687 -5.8687 -5.1840 -5.1840 -5.1145 -5.1145 6.7383 6.7383 6.8353 6.8353 7.0130 7.0130 7.1646 7.1646 7.8034 7.8034 8.2207 8.2207 8.5713 8.5713 8.7218 8.7218 9.3061 9.3061 9.6866 9.6866 9.8983 9.8983 10.2328 10.2328 15.0003 15.0003 15.2653 15.2653 15.4653 15.4653 15.6629 15.6629 17.2944 17.2944 k = 0.0000 0.2500 0.3437 ( 2582 PWs) bands (ev): -36.9804 -36.9804 -36.9803 -36.9803 -16.2970 -16.2970 -16.2494 -16.2494 -14.6905 -14.6905 -14.6091 -14.6091 -14.4340 -14.4340 -14.3883 -14.3883 -5.9053 -5.9053 -5.8642 -5.8642 -5.1737 -5.1737 -5.1020 -5.1020 6.7411 6.7411 6.8332 6.8332 7.0262 7.0262 7.1689 7.1689 7.8204 7.8204 8.2603 8.2603 8.6008 8.6008 8.7702 8.7702 9.2568 9.2568 9.6638 9.6638 9.8536 9.8536 10.2132 10.2132 15.0033 15.0033 15.2375 15.2375 15.4819 15.4819 15.6471 15.6471 17.2385 17.2385 k = 0.0000 0.2614 0.3437 ( 2582 PWs) bands (ev): -36.9799 -36.9799 -36.9799 -36.9799 -16.3005 -16.3005 -16.2529 -16.2529 -14.6966 -14.6966 -14.6157 -14.6157 -14.4340 -14.4340 -14.3883 -14.3883 -5.9025 -5.9025 -5.8606 -5.8606 -5.1625 -5.1625 -5.0892 -5.0892 6.7452 6.7452 6.8324 6.8324 7.0395 7.0395 7.1732 7.1732 7.8376 7.8376 8.3000 8.3000 8.6287 8.6287 8.8174 8.8174 9.2082 9.2082 9.6408 9.6408 9.8097 9.8097 10.1943 10.1943 15.0072 15.0072 15.2100 15.2100 15.4961 15.4961 15.6285 15.6285 17.1840 17.1840 k = 0.0000 0.2727 0.3437 ( 2582 PWs) bands (ev): -36.9794 -36.9794 -36.9794 -36.9794 -16.3039 -16.3039 -16.2566 -16.2566 -14.7026 -14.7026 -14.6225 -14.6225 -14.4337 -14.4337 -14.3883 -14.3883 -5.9002 -5.9002 -5.8579 -5.8579 -5.1504 -5.1504 -5.0761 -5.0761 6.7505 6.7505 6.8329 6.8329 7.0529 7.0529 7.1777 7.1777 7.8550 7.8550 8.3396 8.3396 8.6550 8.6550 8.8624 8.8624 9.1612 9.1612 9.6177 9.6177 9.7666 9.7666 10.1760 10.1760 15.0121 15.0121 15.1830 15.1830 15.5076 15.5076 15.6072 15.6072 17.1313 17.1313 k = 0.0000 0.2841 0.3437 ( 2582 PWs) bands (ev): -36.9789 -36.9789 -36.9789 -36.9789 -16.3071 -16.3071 -16.2605 -16.2605 -14.7082 -14.7082 -14.6295 -14.6295 -14.4331 -14.4331 -14.3883 -14.3883 -5.8985 -5.8985 -5.8560 -5.8560 -5.1376 -5.1376 -5.0628 -5.0628 6.7569 6.7569 6.8347 6.8347 7.0664 7.0664 7.1823 7.1823 7.8724 7.8724 8.3788 8.3788 8.6795 8.6795 8.9027 8.9027 9.1186 9.1186 9.5945 9.5945 9.7246 9.7246 10.1584 10.1584 15.0179 15.0179 15.1567 15.1567 15.5161 15.5161 15.5837 15.5837 17.0803 17.0803 k = 0.0000 0.2955 0.3437 ( 2582 PWs) bands (ev): -36.9784 -36.9784 -36.9784 -36.9784 -16.3103 -16.3103 -16.2644 -16.2644 -14.7136 -14.7136 -14.6367 -14.6367 -14.4322 -14.4322 -14.3883 -14.3883 -5.8971 -5.8971 -5.8550 -5.8550 -5.1241 -5.1241 -5.0494 -5.0494 6.7644 6.7644 6.8375 6.8375 7.0798 7.0798 7.1870 7.1870 7.8899 7.8899 8.4175 8.4175 8.7022 8.7022 8.9313 8.9313 9.0875 9.0875 9.5715 9.5715 9.6838 9.6838 10.1415 10.1415 15.0246 15.0246 15.1314 15.1314 15.5204 15.5204 15.5591 15.5591 17.0315 17.0315 k = 0.0000 0.3068 0.3437 ( 2586 PWs) bands (ev): -36.9779 -36.9779 -36.9779 -36.9779 -16.3132 -16.3132 -16.2684 -16.2684 -14.7187 -14.7187 -14.6439 -14.6439 -14.4311 -14.4311 -14.3884 -14.3884 -5.8962 -5.8962 -5.8546 -5.8546 -5.1101 -5.1101 -5.0362 -5.0362 6.7727 6.7727 6.8412 6.8412 7.0931 7.0931 7.1917 7.1917 7.9074 7.9074 8.4554 8.4554 8.7230 8.7230 8.9334 8.9334 9.0828 9.0828 9.5486 9.5486 9.6445 9.6445 10.1250 10.1250 15.0323 15.0323 15.1072 15.1072 15.5139 15.5139 15.5404 15.5404 16.9849 16.9849 k = 0.0000 0.3182 0.3437 ( 2584 PWs) bands (ev): -36.9775 -36.9775 -36.9775 -36.9775 -16.3160 -16.3160 -16.2725 -16.2725 -14.7234 -14.7234 -14.6512 -14.6512 -14.4298 -14.4298 -14.3885 -14.3885 -5.8955 -5.8955 -5.8550 -5.8550 -5.0958 -5.0958 -5.0231 -5.0231 6.7819 6.7819 6.8459 6.8459 7.1062 7.1062 7.1964 7.1964 7.9250 7.9250 8.4923 8.4923 8.7419 8.7419 8.9070 8.9070 9.1067 9.1067 9.5260 9.5260 9.6067 9.6067 10.1090 10.1090 15.0408 15.0408 15.0845 15.0845 15.4892 15.4892 15.5350 15.5350 16.9410 16.9410 k = 0.0000 0.3295 0.3437 ( 2592 PWs) bands (ev): -36.9770 -36.9770 -36.9770 -36.9770 -16.3187 -16.3187 -16.2767 -16.2767 -14.7277 -14.7277 -14.6584 -14.6584 -14.4283 -14.4283 -14.3887 -14.3887 -5.8952 -5.8952 -5.8559 -5.8559 -5.0812 -5.0812 -5.0103 -5.0103 6.7917 6.7917 6.8512 6.8512 7.1191 7.1191 7.2011 7.2011 7.9426 7.9426 8.5280 8.5280 8.7586 8.7586 8.8676 8.8676 9.1438 9.1438 9.5040 9.5040 9.5707 9.5707 10.0933 10.0933 15.0483 15.0483 15.0650 15.0650 15.4577 15.4577 15.5323 15.5323 16.8997 16.8997 k = 0.0000 0.3409 0.3437 ( 2588 PWs) bands (ev): -36.9766 -36.9766 -36.9766 -36.9766 -16.3211 -16.3211 -16.2808 -16.2808 -14.7316 -14.7316 -14.6656 -14.6656 -14.4267 -14.4267 -14.3890 -14.3890 -5.8951 -5.8951 -5.8573 -5.8573 -5.0666 -5.0666 -4.9980 -4.9980 6.8021 6.8021 6.8571 6.8571 7.1316 7.1316 7.2058 7.2058 7.9604 7.9604 8.5622 8.5622 8.7723 8.7723 8.8251 8.8251 9.1856 9.1856 9.4826 9.4826 9.5365 9.5365 10.0778 10.0778 15.0391 15.0391 15.0646 15.0646 15.4237 15.4237 15.5281 15.5281 16.8615 16.8615 k = 0.0000 0.3523 0.3437 ( 2588 PWs) bands (ev): -36.9762 -36.9762 -36.9762 -36.9762 -16.3233 -16.3233 -16.2850 -16.2850 -14.7351 -14.7351 -14.6726 -14.6726 -14.4250 -14.4250 -14.3893 -14.3893 -5.8952 -5.8952 -5.8592 -5.8592 -5.0520 -5.0520 -4.9862 -4.9862 6.8129 6.8129 6.8635 6.8635 7.1438 7.1438 7.2104 7.2104 7.9782 7.9782 8.5948 8.5948 8.7679 8.7679 8.7976 8.7976 9.2289 9.2289 9.4621 9.4621 9.5043 9.5043 10.0622 10.0622 15.0214 15.0214 15.0755 15.0755 15.3882 15.3882 15.5219 15.5219 16.8265 16.8265 k = 0.0000 0.3636 0.3437 ( 2588 PWs) bands (ev): -36.9758 -36.9758 -36.9758 -36.9758 -16.3252 -16.3252 -16.2891 -16.2891 -14.7382 -14.7382 -14.6795 -14.6795 -14.4232 -14.4232 -14.3897 -14.3897 -5.8954 -5.8954 -5.8614 -5.8614 -5.0376 -5.0376 -4.9751 -4.9751 6.8239 6.8239 6.8702 6.8702 7.1554 7.1554 7.2148 7.2148 7.9962 7.9962 8.6256 8.6256 8.7277 8.7277 8.8041 8.8041 9.2723 9.2723 9.4429 9.4429 9.4743 9.4743 10.0464 10.0464 15.0046 15.0046 15.0880 15.0880 15.3520 15.3520 15.5137 15.5137 16.7949 16.7949 k = 0.0000 0.3750 0.3437 ( 2584 PWs) bands (ev): -36.9754 -36.9754 -36.9754 -36.9754 -16.3270 -16.3270 -16.2931 -16.2931 -14.7409 -14.7409 -14.6862 -14.6862 -14.4214 -14.4214 -14.3901 -14.3901 -5.8956 -5.8956 -5.8639 -5.8639 -5.0235 -5.0235 -4.9647 -4.9647 6.8350 6.8350 6.8770 6.8770 7.1665 7.1665 7.2191 7.2191 8.0145 8.0145 8.6544 8.6544 8.6834 8.6834 8.8137 8.8137 9.3142 9.3142 9.4258 9.4258 9.4468 9.4468 10.0302 10.0302 14.9895 14.9895 15.1016 15.1016 15.3154 15.3154 15.5035 15.5035 16.7669 16.7669 k = 0.0000 0.3864 0.3437 ( 2584 PWs) bands (ev): -36.9751 -36.9751 -36.9751 -36.9751 -16.3284 -16.3284 -16.2970 -16.2970 -14.7431 -14.7431 -14.6926 -14.6926 -14.4195 -14.4195 -14.3907 -14.3907 -5.8959 -5.8959 -5.8665 -5.8665 -5.0100 -5.0100 -4.9552 -4.9552 6.8461 6.8461 6.8838 6.8838 7.1769 7.1769 7.2231 7.2231 8.0332 8.0332 8.6387 8.6387 8.6816 8.6816 8.8223 8.8223 9.3504 9.3504 9.4129 9.4129 9.4242 9.4242 10.0133 10.0133 14.9764 14.9764 15.1159 15.1159 15.2791 15.2791 15.4915 15.4915 16.7426 16.7426 k = 0.0000 0.3977 0.3437 ( 2584 PWs) bands (ev): -36.9748 -36.9748 -36.9748 -36.9748 -16.3296 -16.3296 -16.3009 -16.3009 -14.7448 -14.7448 -14.6988 -14.6988 -14.4176 -14.4176 -14.3913 -14.3913 -5.8961 -5.8961 -5.8693 -5.8693 -4.9970 -4.9970 -4.9467 -4.9467 6.8568 6.8568 6.8904 6.8904 7.1867 7.1867 7.2268 7.2268 8.0523 8.0523 8.5952 8.5952 8.7062 8.7062 8.8297 8.8297 9.3653 9.3653 9.3954 9.3954 9.4305 9.4305 9.9955 9.9955 14.9654 14.9654 15.1305 15.1305 15.2439 15.2439 15.4779 15.4779 16.7220 16.7220 k = 0.0000 0.4091 0.3437 ( 2584 PWs) bands (ev): -36.9745 -36.9745 -36.9745 -36.9745 -16.3305 -16.3305 -16.3046 -16.3046 -14.7461 -14.7461 -14.7047 -14.7047 -14.4156 -14.4156 -14.3921 -14.3921 -5.8963 -5.8963 -5.8721 -5.8721 -4.9847 -4.9847 -4.9392 -4.9392 6.8672 6.8672 6.8967 6.8967 7.1958 7.1958 7.2302 7.2302 8.0720 8.0720 8.5528 8.5528 8.7287 8.7287 8.8357 8.8357 9.3585 9.3585 9.3752 9.3752 9.4644 9.4644 9.9767 9.9767 14.9567 14.9567 15.1439 15.1439 15.2115 15.2115 15.4627 15.4627 16.7052 16.7052 k = 0.0000 0.4205 0.3437 ( 2584 PWs) bands (ev): -36.9742 -36.9742 -36.9742 -36.9742 -16.3311 -16.3311 -16.3081 -16.3081 -14.7468 -14.7468 -14.7103 -14.7103 -14.4137 -14.4137 -14.3929 -14.3929 -5.8964 -5.8964 -5.8750 -5.8750 -4.9732 -4.9732 -4.9327 -4.9327 6.8769 6.8769 6.9024 6.9024 7.2041 7.2041 7.2332 7.2332 8.0923 8.0923 8.5117 8.5117 8.7491 8.7491 8.8404 8.8404 9.3469 9.3469 9.3571 9.3571 9.5044 9.5044 9.9566 9.9566 14.9504 14.9504 15.1479 15.1479 15.1906 15.1906 15.4463 15.4463 16.6922 16.6922 k = 0.0000 0.4318 0.3437 ( 2588 PWs) bands (ev): -36.9740 -36.9740 -36.9740 -36.9740 -16.3313 -16.3313 -16.3115 -16.3115 -14.7472 -14.7472 -14.7156 -14.7156 -14.4118 -14.4118 -14.3938 -14.3938 -5.8962 -5.8962 -5.8778 -5.8778 -4.9626 -4.9626 -4.9275 -4.9275 6.8859 6.8859 6.9076 6.9076 7.2115 7.2115 7.2358 7.2358 8.1136 8.1136 8.4719 8.4719 8.7673 8.7673 8.8437 8.8437 9.3351 9.3351 9.3413 9.3413 9.5453 9.5453 9.9351 9.9351 14.9468 14.9468 15.1287 15.1287 15.1952 15.1952 15.4287 15.4287 16.6828 16.6828 k = 0.0000 0.4432 0.3437 ( 2586 PWs) bands (ev): -36.9738 -36.9738 -36.9738 -36.9738 -16.3313 -16.3313 -16.3146 -16.3146 -14.7470 -14.7470 -14.7205 -14.7205 -14.4099 -14.4099 -14.3949 -14.3949 -5.8960 -5.8960 -5.8805 -5.8805 -4.9531 -4.9531 -4.9234 -4.9234 6.8941 6.8941 6.9120 6.9120 7.2181 7.2181 7.2378 7.2378 8.1358 8.1358 8.4336 8.4336 8.7834 8.7834 8.8458 8.8458 9.3245 9.3245 9.3280 9.3280 9.5858 9.5858 9.9120 9.9120 14.9459 14.9459 15.1011 15.1011 15.2108 15.2108 15.4102 15.4102 16.6771 16.6771 k = 0.0000 0.4545 0.3437 ( 2590 PWs) bands (ev): -36.9737 -36.9737 -36.9737 -36.9737 -16.3310 -16.3310 -16.3175 -16.3175 -14.7464 -14.7464 -14.7251 -14.7251 -14.4081 -14.4081 -14.3960 -14.3960 -5.8955 -5.8955 -5.8830 -5.8830 -4.9446 -4.9446 -4.9206 -4.9206 6.9012 6.9012 6.9154 6.9154 7.2239 7.2239 7.2392 7.2392 8.1591 8.1591 8.3968 8.3968 8.7975 8.7975 8.8464 8.8464 9.3153 9.3153 9.3172 9.3172 9.6254 9.6254 9.8873 9.8873 14.9480 14.9480 15.0737 15.0737 15.2290 15.2290 15.3909 15.3909 16.6747 16.6747 k = 0.0000 0.4659 0.3437 ( 2586 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3304 -16.3304 -16.3202 -16.3202 -14.7453 -14.7453 -14.7292 -14.7292 -14.4063 -14.4063 -14.3972 -14.3972 -5.8948 -5.8948 -5.8854 -5.8854 -4.9372 -4.9372 -4.9191 -4.9191 6.9073 6.9073 6.9179 6.9179 7.2287 7.2287 7.2400 7.2400 8.1836 8.1836 8.3616 8.3616 8.8095 8.8095 8.8457 8.8457 9.3078 9.3078 9.3089 9.3089 9.6638 9.6638 9.8607 9.8607 14.9531 14.9531 15.0480 15.0480 15.2484 15.2484 15.3711 15.3711 16.6757 16.6757 k = 0.0000 0.4773 0.3437 ( 2592 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3294 -16.3294 -16.3226 -16.3226 -14.7437 -14.7437 -14.7330 -14.7330 -14.4046 -14.4046 -14.3985 -14.3985 -5.8938 -5.8938 -5.8875 -5.8875 -4.9310 -4.9310 -4.9189 -4.9189 6.9122 6.9122 6.9192 6.9192 7.2327 7.2327 7.2401 7.2401 8.2095 8.2095 8.3280 8.3280 8.8197 8.8197 8.8436 8.8436 9.3024 9.3024 9.3030 9.3030 9.7009 9.7009 9.8324 9.8324 14.9612 14.9612 15.0248 15.0248 15.2684 15.2684 15.3507 15.3507 16.6797 16.6797 k = 0.0000 0.4886 0.3437 ( 2596 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3282 -16.3282 -16.3247 -16.3247 -14.7417 -14.7417 -14.7363 -14.7363 -14.4030 -14.4030 -14.3999 -14.3999 -5.8926 -5.8926 -5.8895 -5.8895 -4.9260 -4.9260 -4.9200 -4.9200 6.9158 6.9158 6.9193 6.9193 7.2358 7.2358 7.2395 7.2395 8.2368 8.2368 8.2960 8.2960 8.8282 8.8282 8.8400 8.8400 9.2991 9.2991 9.2995 9.2995 9.7363 9.7363 9.8022 9.8022 14.9725 14.9725 15.0044 15.0044 15.2888 15.2888 15.3301 15.3301 16.6866 16.6866 k = 0.0000 0.5000 0.3437 ( 2600 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3266 -16.3266 -16.3266 -16.3266 -14.7392 -14.7392 -14.7392 -14.7392 -14.4014 -14.4014 -14.4014 -14.4014 -5.8912 -5.8912 -5.8912 -5.8912 -4.9224 -4.9224 -4.9224 -4.9224 6.9182 6.9182 6.9182 6.9182 7.2381 7.2381 7.2381 7.2381 8.2656 8.2656 8.2656 8.2656 8.8349 8.8349 8.8349 8.8349 9.2981 9.2981 9.2981 9.2981 9.7701 9.7701 9.7701 9.7701 14.9869 14.9869 14.9869 14.9869 15.3095 15.3095 15.3095 15.3095 16.6961 16.6961 k = 0.0000 0.5000 0.3437 ( 2600 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3266 -16.3266 -16.3266 -16.3266 -14.7392 -14.7392 -14.7392 -14.7392 -14.4014 -14.4014 -14.4014 -14.4014 -5.8912 -5.8912 -5.8912 -5.8912 -4.9224 -4.9224 -4.9224 -4.9224 6.9182 6.9182 6.9182 6.9182 7.2381 7.2381 7.2381 7.2381 8.2656 8.2656 8.2656 8.2656 8.8349 8.8349 8.8349 8.8349 9.2981 9.2981 9.2981 9.2981 9.7701 9.7701 9.7701 9.7701 14.9869 14.9869 14.9869 14.9869 15.3095 15.3095 15.3095 15.3095 16.6961 16.6961 k = 0.0114 0.5000 0.3437 ( 2592 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3280 -16.3280 -16.3253 -16.3253 -14.7399 -14.7399 -14.7386 -14.7386 -14.4045 -14.4045 -14.3989 -14.3989 -5.8914 -5.8914 -5.8891 -5.8891 -4.9231 -4.9231 -4.9222 -4.9222 6.9188 6.9188 6.9196 6.9196 7.2353 7.2353 7.2374 7.2374 8.2616 8.2616 8.2650 8.2650 8.8373 8.8373 8.8387 8.8387 9.2950 9.2950 9.3022 9.3022 9.7680 9.7680 9.7709 9.7709 14.9866 14.9866 14.9893 14.9893 15.3102 15.3102 15.3107 15.3107 16.6953 16.6953 k = 0.0227 0.5000 0.3437 ( 2584 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3295 -16.3295 -16.3241 -16.3241 -14.7406 -14.7406 -14.7381 -14.7381 -14.4083 -14.4083 -14.3971 -14.3971 -5.8897 -5.8897 -5.8852 -5.8852 -4.9244 -4.9244 -4.9228 -4.9228 6.9214 6.9214 6.9231 6.9231 7.2294 7.2294 7.2335 7.2335 8.2530 8.2530 8.2598 8.2598 8.8459 8.8459 8.8487 8.8487 9.2929 9.2929 9.3072 9.3072 9.7647 9.7647 9.7705 9.7705 14.9884 14.9884 14.9938 14.9938 15.3129 15.3129 15.3140 15.3140 16.6947 16.6947 k = 0.0341 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9732 -36.9732 -36.9732 -36.9732 -16.3311 -16.3311 -16.3230 -16.3230 -14.7413 -14.7413 -14.7376 -14.7376 -14.4126 -14.4126 -14.3960 -14.3960 -5.8862 -5.8862 -5.8794 -5.8794 -4.9264 -4.9264 -4.9239 -4.9239 6.9259 6.9259 6.9286 6.9286 7.2205 7.2205 7.2263 7.2263 8.2400 8.2400 8.2498 8.2498 8.8606 8.8606 8.8647 8.8647 9.2918 9.2918 9.3129 9.3129 9.7601 9.7601 9.7688 9.7688 14.9922 14.9922 15.0003 15.0003 15.3176 15.3176 15.3192 15.3192 16.6943 16.6943 k = 0.0455 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9731 -36.9731 -36.9731 -36.9731 -16.3328 -16.3328 -16.3221 -16.3221 -14.7421 -14.7421 -14.7373 -14.7373 -14.4176 -14.4176 -14.3955 -14.3955 -5.8809 -5.8809 -5.8719 -5.8719 -4.9289 -4.9289 -4.9256 -4.9256 6.9320 6.9320 6.9359 6.9359 7.2091 7.2091 7.2164 7.2164 8.2229 8.2229 8.2354 8.2354 8.8811 8.8811 8.8865 8.8865 9.2914 9.2914 9.3190 9.3190 9.7545 9.7545 9.7659 9.7659 14.9979 14.9979 15.0087 15.0087 15.3241 15.3241 15.3263 15.3263 16.6942 16.6942 k = 0.0568 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9729 -36.9729 -36.9729 -36.9729 -16.3345 -16.3345 -16.3212 -16.3212 -14.7430 -14.7430 -14.7370 -14.7370 -14.4231 -14.4231 -14.3956 -14.3956 -5.8738 -5.8738 -5.8626 -5.8626 -4.9321 -4.9321 -4.9279 -4.9279 6.9396 6.9396 6.9448 6.9448 7.1959 7.1959 7.2041 7.2041 8.2019 8.2019 8.2167 8.2167 8.9070 8.9070 8.9135 8.9135 9.2916 9.2916 9.3253 9.3253 9.7478 9.7478 9.7620 9.7620 15.0055 15.0055 15.0190 15.0190 15.3326 15.3326 15.3355 15.3355 16.6942 16.6942 k = 0.0682 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9728 -36.9728 -36.9727 -36.9727 -16.3364 -16.3364 -16.3206 -16.3206 -14.7439 -14.7439 -14.7367 -14.7367 -14.4291 -14.4291 -14.3965 -14.3965 -5.8649 -5.8649 -5.8516 -5.8516 -4.9358 -4.9358 -4.9309 -4.9309 6.9481 6.9481 6.9551 6.9551 7.1817 7.1817 7.1902 7.1902 8.1773 8.1773 8.1939 8.1939 8.9380 8.9380 8.9455 8.9455 9.2922 9.2922 9.3313 9.3313 9.7405 9.7405 9.7573 9.7573 15.0148 15.0148 15.0309 15.0309 15.3429 15.3429 15.3465 15.3465 16.6944 16.6944 k = 0.0795 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9725 -36.9725 -36.9725 -36.9725 -16.3383 -16.3383 -16.3200 -16.3200 -14.7449 -14.7449 -14.7366 -14.7366 -14.4356 -14.4356 -14.3979 -14.3979 -5.8543 -5.8543 -5.8389 -5.8389 -4.9400 -4.9400 -4.9344 -4.9344 6.9567 6.9567 6.9660 6.9660 7.1677 7.1677 7.1755 7.1755 8.1496 8.1496 8.1675 8.1675 8.9735 8.9735 8.9818 8.9818 9.2928 9.2928 9.3369 9.3369 9.7326 9.7326 9.7518 9.7518 15.0257 15.0257 15.0444 15.0444 15.3550 15.3550 15.3594 15.3594 16.6948 16.6948 k = 0.0909 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9723 -36.9723 -36.9723 -36.9723 -16.3402 -16.3402 -16.3196 -16.3196 -14.7459 -14.7459 -14.7366 -14.7366 -14.4424 -14.4424 -14.4000 -14.4000 -5.8420 -5.8420 -5.8247 -5.8247 -4.9448 -4.9448 -4.9384 -4.9384 6.9641 6.9641 6.9766 6.9766 7.1555 7.1555 7.1615 7.1615 8.1190 8.1190 8.1378 8.1378 9.0130 9.0130 9.0219 9.0219 9.2932 9.2932 9.3415 9.3415 9.7244 9.7244 9.7458 9.7458 15.0380 15.0380 15.0593 15.0593 15.3689 15.3689 15.3742 15.3742 16.6954 16.6954 k = 0.1023 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9720 -36.9720 -36.9720 -36.9720 -16.3422 -16.3422 -16.3193 -16.3193 -14.7469 -14.7469 -14.7366 -14.7366 -14.4497 -14.4497 -14.4026 -14.4026 -5.8281 -5.8281 -5.8090 -5.8090 -4.9500 -4.9500 -4.9430 -4.9430 6.9685 6.9685 6.9851 6.9851 7.1471 7.1471 7.1502 7.1502 8.0860 8.0860 8.1052 8.1052 9.0559 9.0559 9.0651 9.0651 9.2932 9.2932 9.3448 9.3448 9.7164 9.7164 9.7396 9.7396 15.0515 15.0515 15.0753 15.0753 15.3845 15.3845 15.3906 15.3906 16.6960 16.6960 k = 0.1136 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9717 -36.9717 -36.9717 -36.9717 -16.3443 -16.3443 -16.3192 -16.3192 -14.7481 -14.7481 -14.7368 -14.7368 -14.4572 -14.4572 -14.4058 -14.4058 -5.8128 -5.8128 -5.7918 -5.7918 -4.9557 -4.9557 -4.9482 -4.9482 6.9680 6.9680 6.9892 6.9892 7.1440 7.1440 7.1447 7.1447 8.0511 8.0511 8.0703 8.0703 9.1015 9.1015 9.1108 9.1108 9.2926 9.2926 9.3466 9.3466 9.7088 9.7088 9.7335 9.7335 15.0663 15.0663 15.0924 15.0924 15.4017 15.4017 15.4086 15.4086 16.6968 16.6968 k = 0.1250 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9713 -36.9713 -36.9713 -36.9713 -16.3464 -16.3464 -16.3193 -16.3193 -14.7492 -14.7492 -14.7371 -14.7371 -14.4650 -14.4650 -14.4096 -14.4096 -5.7960 -5.7960 -5.7734 -5.7734 -4.9619 -4.9619 -4.9538 -4.9538 6.9614 6.9614 6.9867 6.9867 7.1456 7.1456 7.1499 7.1499 8.0146 8.0146 8.0335 8.0335 9.1492 9.1492 9.1577 9.1577 9.2915 9.2915 9.3466 9.3466 9.7020 9.7020 9.7277 9.7277 15.0820 15.0820 15.1103 15.1103 15.4203 15.4203 15.4281 15.4281 16.6977 16.6977 k = 0.1364 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9710 -36.9710 -36.9710 -36.9710 -16.3486 -16.3486 -16.3195 -16.3195 -14.7505 -14.7505 -14.7376 -14.7376 -14.4730 -14.4730 -14.4138 -14.4138 -5.7779 -5.7779 -5.7537 -5.7537 -4.9684 -4.9684 -4.9598 -4.9598 6.9491 6.9491 6.9770 6.9770 7.1554 7.1554 7.1622 7.1622 7.9771 7.9771 7.9952 7.9952 9.1978 9.1978 9.2039 9.2039 9.2913 9.2913 9.3450 9.3450 9.6966 9.6966 9.7227 9.7227 15.0985 15.0985 15.1288 15.1288 15.4402 15.4402 15.4489 15.4489 16.6987 16.6987 k = 0.1477 0.5000 0.3437 ( 2584 PWs) bands (ev): -36.9706 -36.9706 -36.9706 -36.9706 -16.3508 -16.3508 -16.3199 -16.3199 -14.7517 -14.7517 -14.7382 -14.7382 -14.4811 -14.4811 -14.4184 -14.4184 -5.7585 -5.7585 -5.7329 -5.7329 -4.9753 -4.9753 -4.9663 -4.9663 6.9324 6.9324 6.9616 6.9616 7.1719 7.1719 7.1802 7.1802 7.9391 7.9391 7.9562 7.9562 9.2414 9.2414 9.2455 9.2455 9.2988 9.2988 9.3428 9.3428 9.6928 9.6928 9.7189 9.7189 15.1158 15.1158 15.1479 15.1479 15.4612 15.4612 15.4707 15.4707 16.6997 16.6997 k = 0.1591 0.5000 0.3437 ( 2584 PWs) bands (ev): -36.9702 -36.9702 -36.9702 -36.9702 -16.3530 -16.3530 -16.3205 -16.3205 -14.7531 -14.7531 -14.7389 -14.7389 -14.4892 -14.4892 -14.4234 -14.4234 -5.7380 -5.7380 -5.7110 -5.7110 -4.9826 -4.9826 -4.9732 -4.9732 6.9128 6.9128 6.9426 6.9426 7.1930 7.1930 7.2024 7.2024 7.9013 7.9013 7.9170 7.9170 9.2544 9.2544 9.2856 9.2856 9.3291 9.3291 9.3458 9.3458 9.6912 9.6912 9.7168 9.7168 15.1336 15.1336 15.1674 15.1674 15.4832 15.4832 15.4935 15.4935 16.7008 16.7008 k = 0.1705 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9698 -36.9698 -36.9698 -36.9698 -16.3552 -16.3552 -16.3212 -16.3212 -14.7545 -14.7545 -14.7398 -14.7398 -14.4973 -14.4973 -14.4288 -14.4288 -5.7165 -5.7165 -5.6883 -5.6883 -4.9901 -4.9901 -4.9804 -4.9804 6.8916 6.8916 6.9214 6.9214 7.2167 7.2167 7.2272 7.2272 7.8645 7.8645 7.8784 7.8784 9.2509 9.2509 9.3001 9.3001 9.3709 9.3709 9.3728 9.3728 9.6925 9.6925 9.7173 9.7173 15.1520 15.1520 15.1871 15.1871 15.5060 15.5060 15.5169 15.5169 16.7020 16.7020 k = 0.1818 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9694 -36.9694 -36.9694 -36.9694 -16.3575 -16.3575 -16.3221 -16.3221 -14.7559 -14.7559 -14.7409 -14.7409 -14.5054 -14.5054 -14.4345 -14.4345 -5.6941 -5.6941 -5.6648 -5.6648 -4.9978 -4.9978 -4.9879 -4.9879 6.8695 6.8695 6.8990 6.8990 7.2415 7.2415 7.2531 7.2531 7.8297 7.8297 7.8414 7.8414 9.2418 9.2418 9.2938 9.2938 9.4120 9.4120 9.4176 9.4176 9.6976 9.6976 9.7214 9.7214 15.1708 15.1708 15.2069 15.2069 15.5294 15.5294 15.5408 15.5408 16.7032 16.7032 k = 0.1932 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9689 -36.9689 -36.9689 -36.9689 -16.3597 -16.3597 -16.3232 -16.3232 -14.7574 -14.7574 -14.7422 -14.7422 -14.5133 -14.5133 -14.4405 -14.4405 -5.6709 -5.6709 -5.6407 -5.6407 -5.0058 -5.0058 -4.9957 -4.9957 6.8471 6.8471 6.8762 6.8762 7.2657 7.2657 7.2788 7.2788 7.7983 7.7983 7.8073 7.8073 9.2299 9.2299 9.2808 9.2808 9.4534 9.4534 9.4589 9.4589 9.7079 9.7079 9.7307 9.7307 15.1900 15.1900 15.2269 15.2269 15.5531 15.5531 15.5650 15.5650 16.7045 16.7045 k = 0.2045 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9684 -36.9684 -36.9684 -36.9684 -16.3619 -16.3619 -16.3245 -16.3245 -14.7590 -14.7590 -14.7437 -14.7437 -14.5209 -14.5209 -14.4467 -14.4467 -5.6470 -5.6470 -5.6160 -5.6160 -5.0139 -5.0139 -5.0038 -5.0038 6.8247 6.8247 6.8532 6.8532 7.2874 7.2874 7.3023 7.3023 7.7719 7.7719 7.7780 7.7780 9.2159 9.2159 9.2646 9.2646 9.4897 9.4897 9.4939 9.4939 9.7250 9.7250 9.7469 9.7469 15.2094 15.2094 15.2467 15.2467 15.5769 15.5769 15.5892 15.5892 16.7059 16.7059 k = 0.2159 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9679 -36.9679 -36.9679 -36.9679 -16.3642 -16.3642 -16.3259 -16.3259 -14.7606 -14.7606 -14.7454 -14.7454 -14.5283 -14.5283 -14.4531 -14.4531 -5.6226 -5.6226 -5.5909 -5.5909 -5.0221 -5.0221 -5.0120 -5.0120 6.8026 6.8026 6.8304 6.8304 7.3042 7.3042 7.3211 7.3211 7.7530 7.7530 7.7558 7.7558 9.2002 9.2002 9.2461 9.2461 9.5182 9.5182 9.5206 9.5206 9.7503 9.7503 9.7714 9.7714 15.2290 15.2290 15.2665 15.2665 15.6007 15.6007 15.6132 15.6132 16.7074 16.7074 k = 0.2273 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9675 -36.9675 -36.9675 -36.9675 -16.3664 -16.3664 -16.3275 -16.3275 -14.7623 -14.7623 -14.7473 -14.7473 -14.5354 -14.5354 -14.4596 -14.4596 -5.5979 -5.5979 -5.5656 -5.5656 -5.0303 -5.0303 -5.0203 -5.0203 6.7810 6.7810 6.8080 6.8080 7.3140 7.3140 7.3328 7.3328 7.7435 7.7435 7.7437 7.7437 9.1831 9.1831 9.2261 9.2261 9.5381 9.5381 9.5385 9.5385 9.7838 9.7838 9.8041 9.8041 15.2487 15.2487 15.2861 15.2861 15.6244 15.6244 15.6369 15.6369 16.7089 16.7089 k = 0.2386 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9670 -36.9670 -36.9670 -36.9670 -16.3685 -16.3685 -16.3293 -16.3293 -14.7640 -14.7640 -14.7494 -14.7494 -14.5421 -14.5421 -14.4662 -14.4662 -5.5728 -5.5728 -5.5402 -5.5402 -5.0386 -5.0386 -5.0288 -5.0288 6.7600 6.7600 6.7862 6.7862 7.3147 7.3147 7.3348 7.3348 7.7434 7.7434 7.7461 7.7461 9.1649 9.1649 9.2049 9.2049 9.5488 9.5488 9.5504 9.5504 9.8238 9.8238 9.8434 9.8434 15.2685 15.2685 15.3054 15.3054 15.6477 15.6477 15.6601 15.6601 16.7105 16.7105 k = 0.2500 0.5000 0.3437 ( 2584 PWs) bands (ev): -36.9665 -36.9665 -36.9665 -36.9665 -16.3706 -16.3706 -16.3312 -16.3312 -14.7658 -14.7658 -14.7517 -14.7517 -14.5484 -14.5484 -14.4728 -14.4728 -5.5477 -5.5477 -5.5147 -5.5147 -5.0468 -5.0468 -5.0373 -5.0373 6.7398 6.7398 6.7649 6.7649 7.3062 7.3062 7.3266 7.3266 7.7563 7.7563 7.7605 7.7605 9.1458 9.1458 9.1829 9.1829 9.5533 9.5533 9.5568 9.5568 9.8680 9.8680 9.8869 9.8869 15.2882 15.2882 15.3244 15.3244 15.6706 15.6706 15.6828 15.6828 16.7121 16.7121 k = 0.2614 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9660 -36.9660 -36.9660 -36.9660 -16.3727 -16.3727 -16.3333 -16.3333 -14.7676 -14.7676 -14.7542 -14.7542 -14.5542 -14.5542 -14.4795 -14.4795 -5.5225 -5.5225 -5.4894 -5.4894 -5.0549 -5.0549 -5.0457 -5.0457 6.7203 6.7203 6.7444 6.7444 7.2894 7.2894 7.3093 7.3093 7.7810 7.7810 7.7857 7.7857 9.1261 9.1261 9.1603 9.1603 9.5534 9.5534 9.5588 9.5588 9.9145 9.9145 9.9327 9.9327 15.3078 15.3078 15.3429 15.3429 15.6931 15.6931 15.7049 15.7049 16.7137 16.7137 k = 0.2727 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9655 -36.9655 -36.9655 -36.9655 -16.3746 -16.3746 -16.3355 -16.3355 -14.7695 -14.7695 -14.7569 -14.7569 -14.5596 -14.5596 -14.4861 -14.4861 -5.4975 -5.4975 -5.4644 -5.4644 -5.0629 -5.0629 -5.0541 -5.0541 6.7016 6.7016 6.7245 6.7245 7.2665 7.2665 7.2852 7.2852 7.8154 7.8154 7.8199 7.8199 9.1059 9.1059 9.1374 9.1374 9.5503 9.5503 9.5574 9.5574 9.9617 9.9617 9.9793 9.9793 15.3271 15.3271 15.3609 15.3609 15.7153 15.7153 15.7263 15.7263 16.7153 16.7153 k = 0.2841 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9650 -36.9650 -36.9650 -36.9650 -16.3765 -16.3765 -16.3378 -16.3378 -14.7714 -14.7714 -14.7597 -14.7597 -14.5645 -14.5645 -14.4927 -14.4927 -5.4728 -5.4728 -5.4398 -5.4398 -5.0706 -5.0706 -5.0624 -5.0624 6.6838 6.6838 6.7055 6.7055 7.2395 7.2395 7.2566 7.2566 7.8570 7.8570 7.8610 7.8610 9.0855 9.0855 9.1145 9.1145 9.5446 9.5446 9.5532 9.5532 10.0087 10.0087 10.0257 10.0257 15.3462 15.3462 15.3782 15.3782 15.7370 15.7370 15.7473 15.7473 16.7169 16.7169 k = 0.2955 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9645 -36.9645 -36.9645 -36.9645 -16.3784 -16.3784 -16.3402 -16.3402 -14.7734 -14.7734 -14.7626 -14.7626 -14.5688 -14.5688 -14.4991 -14.4991 -5.4486 -5.4486 -5.4158 -5.4158 -5.0781 -5.0781 -5.0704 -5.0704 6.6668 6.6668 6.6873 6.6873 7.2100 7.2100 7.2254 7.2254 7.9042 7.9042 7.9074 7.9074 9.0651 9.0651 9.0916 9.0916 9.5365 9.5365 9.5466 9.5466 10.0548 10.0548 10.0713 10.0713 15.3649 15.3649 15.3949 15.3949 15.7585 15.7585 15.7677 15.7677 16.7182 16.7182 k = 0.3068 0.5000 0.3437 ( 2568 PWs) bands (ev): -36.9641 -36.9641 -36.9641 -36.9641 -16.3801 -16.3801 -16.3427 -16.3427 -14.7753 -14.7753 -14.7656 -14.7656 -14.5728 -14.5728 -14.5055 -14.5055 -5.4250 -5.4250 -5.3925 -5.3925 -5.0852 -5.0852 -5.0783 -5.0783 6.6508 6.6508 6.6700 6.6700 7.1792 7.1792 7.1929 7.1929 7.9555 7.9555 7.9579 7.9579 9.0449 9.0449 9.0691 9.0691 9.5264 9.5264 9.5378 9.5378 10.0994 10.0994 10.1153 10.1153 15.3830 15.3830 15.4108 15.4108 15.7799 15.7799 15.7877 15.7877 16.7194 16.7194 k = 0.3182 0.5000 0.3437 ( 2568 PWs) bands (ev): -36.9636 -36.9636 -36.9636 -36.9636 -16.3816 -16.3816 -16.3453 -16.3453 -14.7773 -14.7773 -14.7686 -14.7686 -14.5762 -14.5762 -14.5116 -14.5116 -5.4021 -5.4021 -5.3701 -5.3701 -5.0919 -5.0919 -5.0857 -5.0857 6.6356 6.6356 6.6535 6.6535 7.1481 7.1481 7.1601 7.1601 8.0099 8.0099 8.0114 8.0114 9.0250 9.0250 9.0471 9.0471 9.5142 9.5142 9.5267 9.5267 10.1421 10.1421 10.1575 10.1575 15.4005 15.4005 15.4258 15.4258 15.8013 15.8013 15.8076 15.8076 16.7203 16.7203 k = 0.3295 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9632 -36.9632 -36.9632 -36.9632 -16.3831 -16.3831 -16.3480 -16.3480 -14.7793 -14.7793 -14.7717 -14.7717 -14.5791 -14.5791 -14.5177 -14.5177 -5.3801 -5.3801 -5.3487 -5.3487 -5.0982 -5.0982 -5.0928 -5.0928 6.6213 6.6213 6.6379 6.6379 7.1173 7.1173 7.1277 7.1277 8.0667 8.0667 8.0673 8.0673 9.0056 9.0056 9.0258 9.0258 9.5000 9.5000 9.5135 9.5135 10.1826 10.1826 10.1975 10.1975 15.4173 15.4173 15.4399 15.4399 15.8228 15.8228 15.8273 15.8273 16.7209 16.7209 k = 0.3409 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9628 -36.9628 -36.9628 -36.9628 -16.3844 -16.3844 -16.3508 -16.3508 -14.7812 -14.7812 -14.7747 -14.7747 -14.5816 -14.5816 -14.5235 -14.5235 -5.3591 -5.3591 -5.3284 -5.3284 -5.1039 -5.1039 -5.0994 -5.0994 6.6079 6.6079 6.6231 6.6231 7.0872 7.0872 7.0962 7.0962 8.1251 8.1251 8.1254 8.1254 8.9868 8.9868 9.0052 9.0052 9.4837 9.4837 9.4980 9.4980 10.2208 10.2208 10.2351 10.2351 15.4333 15.4333 15.4531 15.4531 15.8445 15.8445 15.8472 15.8472 16.7210 16.7210 k = 0.3523 0.5000 0.3437 ( 2580 PWs) bands (ev): -36.9624 -36.9624 -36.9624 -36.9624 -16.3856 -16.3856 -16.3535 -16.3535 -14.7831 -14.7831 -14.7777 -14.7777 -14.5837 -14.5837 -14.5291 -14.5291 -5.3393 -5.3393 -5.3094 -5.3094 -5.1090 -5.1090 -5.1055 -5.1055 6.5954 6.5954 6.6092 6.6092 7.0584 7.0584 7.0660 7.0660 8.1843 8.1843 8.1855 8.1855 8.9689 8.9689 8.9855 8.9855 9.4654 9.4654 9.4804 9.4804 10.2565 10.2565 10.2702 10.2702 15.4483 15.4483 15.4653 15.4653 15.8666 15.8666 15.8674 15.8674 16.7208 16.7208 k = 0.3636 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9620 -36.9620 -36.9620 -36.9620 -16.3866 -16.3866 -16.3563 -16.3563 -14.7850 -14.7850 -14.7805 -14.7805 -14.5854 -14.5854 -14.5345 -14.5345 -5.3209 -5.3209 -5.2920 -5.2920 -5.1134 -5.1134 -5.1108 -5.1108 6.5838 6.5838 6.5962 6.5962 7.0310 7.0310 7.0373 7.0373 8.2444 8.2444 8.2465 8.2465 8.9518 8.9518 8.9668 8.9668 9.4450 9.4450 9.4604 9.4604 10.2896 10.2896 10.3025 10.3025 15.4624 15.4624 15.4766 15.4766 15.8879 15.8879 15.8891 15.8891 16.7200 16.7200 k = 0.3750 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9616 -36.9616 -36.9616 -36.9616 -16.3875 -16.3875 -16.3590 -16.3590 -14.7869 -14.7869 -14.7832 -14.7832 -14.5866 -14.5866 -14.5396 -14.5396 -5.3040 -5.3040 -5.2762 -5.2762 -5.1170 -5.1170 -5.1153 -5.1153 6.5731 6.5731 6.5841 6.5841 7.0052 7.0052 7.0104 7.0104 8.3051 8.3051 8.3082 8.3082 8.9357 8.9357 8.9493 8.9493 9.4224 9.4224 9.4382 9.4382 10.3199 10.3199 10.3321 10.3321 15.4753 15.4753 15.4869 15.4869 15.9088 15.9088 15.9119 15.9119 16.7189 16.7189 k = 0.3864 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9613 -36.9613 -36.9613 -36.9613 -16.3881 -16.3881 -16.3618 -16.3618 -14.7886 -14.7886 -14.7858 -14.7858 -14.5875 -14.5875 -14.5445 -14.5445 -5.2887 -5.2887 -5.2623 -5.2623 -5.1197 -5.1197 -5.1189 -5.1189 6.5632 6.5632 6.5729 6.5729 6.9814 6.9814 6.9854 6.9854 8.3660 8.3660 8.3701 8.3701 8.9208 8.9208 8.9330 8.9330 9.3977 9.3977 9.4136 9.4136 10.3475 10.3475 10.3589 10.3589 15.4872 15.4872 15.4963 15.4963 15.9302 15.9302 15.9351 15.9351 16.7172 16.7172 k = 0.3977 0.5000 0.3437 ( 2576 PWs) bands (ev): -36.9610 -36.9610 -36.9610 -36.9610 -16.3886 -16.3886 -16.3645 -16.3645 -14.7903 -14.7903 -14.7882 -14.7882 -14.5880 -14.5880 -14.5492 -14.5492 -5.2752 -5.2752 -5.2505 -5.2505 -5.1216 -5.1216 -5.1214 -5.1214 6.5542 6.5542 6.5627 6.5627 6.9595 6.9595 6.9626 6.9626 8.4268 8.4268 8.4318 8.4318 8.9071 8.9071 8.9181 8.9181 9.3709 9.3709 9.3868 9.3868 10.3723 10.3723 10.3829 10.3829 15.4980 15.4980 15.5049 15.5049 15.9520 15.9520 15.9585 15.9585 16.7147 16.7147 k = 0.4091 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9607 -36.9607 -36.9607 -36.9607 -16.3889 -16.3889 -16.3671 -16.3671 -14.7919 -14.7919 -14.7903 -14.7903 -14.5882 -14.5882 -14.5535 -14.5535 -5.2634 -5.2634 -5.2407 -5.2407 -5.1228 -5.1228 -5.1225 -5.1225 6.5461 6.5461 6.5533 6.5533 6.9397 6.9397 6.9420 6.9420 8.4870 8.4870 8.4929 8.4929 8.8947 8.8947 8.9045 8.9045 9.3419 9.3419 9.3576 9.3576 10.3944 10.3944 10.4041 10.4041 15.5076 15.5076 15.5126 15.5126 15.9740 15.9740 15.9818 15.9818 16.7112 16.7112 k = 0.4205 0.5000 0.3437 ( 2572 PWs) bands (ev): -36.9604 -36.9604 -36.9604 -36.9604 -16.3890 -16.3890 -16.3697 -16.3697 -14.7933 -14.7933 -14.7923 -14.7923 -14.5881 -14.5881 -14.5577 -14.5577 -5.2535 -5.2535 -5.2331 -5.2331 -5.1232 -5.1232 -5.1226 -5.1226 6.5389 6.5389 6.5450 6.5450 6.9220 6.9220 6.9237 6.9237 8.5462 8.5462 8.5530 8.5530 8.8837 8.8837 8.8925 8.8925 9.3110 9.3110 9.3264 9.3264 10.4138 10.4138 10.4224 10.4224 15.5161 15.5161 15.5195 15.5195 15.9961 15.9961 16.0048 16.0048 16.7075 16.7075 k = 0.4318 0.5000 0.3437 ( 2568 PWs) bands (ev): -36.9602 -36.9602 -36.9602 -36.9602 -16.3889 -16.3889 -16.3721 -16.3721 -14.7946 -14.7946 -14.7939 -14.7939 -14.5877 -14.5877 -14.5616 -14.5616 -5.2454 -5.2454 -5.2276 -5.2276 -5.1225 -5.1225 -5.1219 -5.1219 6.5326 6.5326 6.5377 6.5377 6.9066 6.9066 6.9078 6.9078 8.6039 8.6039 8.6115 8.6115 8.8742 8.8742 8.8821 8.8821 9.2785 9.2785 9.2933 9.2933 10.4305 10.4305 10.4381 10.4381 15.5234 15.5234 15.5255 15.5255 16.0177 16.0177 16.0269 16.0269 16.7034 16.7034 k = 0.4432 0.5000 0.3437 ( 2564 PWs) bands (ev): -36.9600 -36.9600 -36.9600 -36.9600 -16.3886 -16.3886 -16.3744 -16.3744 -14.7958 -14.7958 -14.7954 -14.7954 -14.5870 -14.5870 -14.5652 -14.5652 -5.2388 -5.2388 -5.2239 -5.2239 -5.1212 -5.1212 -5.1207 -5.1207 6.5273 6.5273 6.5314 6.5314 6.8935 6.8935 6.8943 6.8943 8.6592 8.6592 8.6676 8.6676 8.8665 8.8665 8.8735 8.8735 9.2447 9.2447 9.2587 9.2587 10.4447 10.4447 10.4511 10.4511 15.5296 15.5296 15.5307 15.5307 16.0384 16.0384 16.0476 16.0476 16.6991 16.6991 k = 0.4545 0.5000 0.3437 ( 2552 PWs) bands (ev): -36.9598 -36.9598 -36.9598 -36.9598 -16.3880 -16.3880 -16.3766 -16.3766 -14.7967 -14.7967 -14.7965 -14.7965 -14.5860 -14.5860 -14.5685 -14.5685 -5.2336 -5.2336 -5.2216 -5.2216 -5.1196 -5.1196 -5.1192 -5.1192 6.5230 6.5230 6.5261 6.5261 6.8828 6.8828 6.8832 6.8832 8.7110 8.7110 8.7201 8.7201 8.8607 8.8607 8.8669 8.8669 9.2104 9.2104 9.2233 9.2233 10.4563 10.4563 10.4615 10.4615 15.5346 15.5346 15.5351 15.5351 16.0576 16.0576 16.0661 16.0661 16.6941 16.6941 k = 0.4659 0.5000 0.3437 ( 2552 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3873 -16.3873 -16.3787 -16.3787 -14.7975 -14.7975 -14.7974 -14.7974 -14.5847 -14.5847 -14.5716 -14.5716 -5.2296 -5.2296 -5.2206 -5.2206 -5.1179 -5.1179 -5.1177 -5.1177 6.5196 6.5196 6.5219 6.5219 6.8744 6.8744 6.8746 6.8746 8.7573 8.7573 8.7664 8.7664 8.8576 8.8576 8.8631 8.8631 9.1771 9.1771 9.1884 9.1884 10.4654 10.4654 10.4693 10.4693 15.5385 15.5385 15.5386 15.5386 16.0744 16.0744 16.0816 16.0816 16.6884 16.6884 k = 0.4773 0.5000 0.3437 ( 2544 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3863 -16.3863 -16.3806 -16.3806 -14.7981 -14.7981 -14.7980 -14.7980 -14.5832 -14.5832 -14.5745 -14.5745 -5.2264 -5.2264 -5.2205 -5.2205 -5.1165 -5.1165 -5.1164 -5.1164 6.5173 6.5173 6.5188 6.5188 6.8684 6.8684 6.8685 6.8685 8.7940 8.7940 8.8019 8.8019 8.8594 8.8594 8.8635 8.8635 9.1476 9.1476 9.1565 9.1565 10.4720 10.4720 10.4747 10.4747 15.5412 15.5412 15.5412 15.5412 16.0878 16.0878 16.0931 16.0931 16.6822 16.6822 k = 0.4886 0.5000 0.3437 ( 2548 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3852 -16.3852 -16.3823 -16.3823 -14.7984 -14.7984 -14.7984 -14.7984 -14.5814 -14.5814 -14.5770 -14.5770 -5.2241 -5.2241 -5.2211 -5.2211 -5.1155 -5.1155 -5.1155 -5.1155 6.5161 6.5161 6.5168 6.5168 6.8648 6.8648 6.8648 6.8648 8.8159 8.8159 8.8199 8.8199 8.8676 8.8676 8.8690 8.8690 9.1266 9.1266 9.1317 9.1317 10.4763 10.4763 10.4776 10.4776 15.5427 15.5427 15.5428 15.5428 16.0969 16.0969 16.0997 16.0997 16.6762 16.6762 k = 0.5000 0.5000 0.3437 ( 2536 PWs) bands (ev): -36.9594 -36.9594 -36.9594 -36.9594 -16.3838 -16.3838 -16.3838 -16.3838 -14.7985 -14.7985 -14.7985 -14.7985 -14.5793 -14.5793 -14.5793 -14.5793 -5.2223 -5.2223 -5.2223 -5.2223 -5.1152 -5.1152 -5.1152 -5.1152 6.5159 6.5159 6.5159 6.5159 6.8636 6.8636 6.8636 6.8636 8.8231 8.8231 8.8231 8.8231 8.8732 8.8732 8.8732 8.8732 9.1204 9.1204 9.1204 9.1204 10.4782 10.4782 10.4782 10.4782 15.5433 15.5433 15.5433 15.5433 16.1011 16.1011 16.1011 16.1011 16.6742 16.6742 k = 0.5000 0.5000 0.3437 ( 2536 PWs) bands (ev): -36.9594 -36.9594 -36.9594 -36.9594 -16.3838 -16.3838 -16.3838 -16.3838 -14.7985 -14.7985 -14.7985 -14.7985 -14.5793 -14.5793 -14.5793 -14.5793 -5.2223 -5.2223 -5.2223 -5.2223 -5.1152 -5.1152 -5.1152 -5.1152 6.5159 6.5159 6.5159 6.5159 6.8636 6.8636 6.8636 6.8636 8.8231 8.8231 8.8231 8.8231 8.8732 8.8732 8.8732 8.8732 9.1204 9.1204 9.1204 9.1204 10.4782 10.4782 10.4782 10.4782 15.5433 15.5433 15.5433 15.5433 16.1011 16.1011 16.1011 16.1011 16.6742 16.6742 k = 0.4918 0.4918 0.3437 ( 2544 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3852 -16.3852 -16.3823 -16.3823 -14.7984 -14.7984 -14.7984 -14.7984 -14.5814 -14.5814 -14.5770 -14.5770 -5.2241 -5.2241 -5.2211 -5.2211 -5.1156 -5.1156 -5.1155 -5.1155 6.5161 6.5161 6.5168 6.5168 6.8648 6.8648 6.8649 6.8649 8.8160 8.8160 8.8199 8.8199 8.8675 8.8675 8.8679 8.8679 9.1269 9.1269 9.1322 9.1322 10.4762 10.4762 10.4776 10.4776 15.5427 15.5427 15.5428 15.5428 16.0968 16.0968 16.0997 16.0997 16.6761 16.6761 k = 0.4836 0.4836 0.3437 ( 2552 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3864 -16.3864 -16.3805 -16.3805 -14.7981 -14.7981 -14.7980 -14.7980 -14.5833 -14.5833 -14.5744 -14.5744 -5.2265 -5.2265 -5.2205 -5.2205 -5.1165 -5.1165 -5.1165 -5.1165 6.5174 6.5174 6.5189 6.5189 6.8686 6.8686 6.8687 6.8687 8.7971 8.7971 8.8048 8.8048 8.8560 8.8560 8.8565 8.8565 9.1494 9.1494 9.1585 9.1585 10.4718 10.4718 10.4745 10.4745 15.5410 15.5410 15.5411 15.5411 16.0874 16.0874 16.0927 16.0927 16.6816 16.6816 k = 0.4754 0.4754 0.3437 ( 2562 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3874 -16.3874 -16.3785 -16.3785 -14.7974 -14.7974 -14.7974 -14.7974 -14.5848 -14.5848 -14.5715 -14.5715 -5.2295 -5.2295 -5.2205 -5.2205 -5.1182 -5.1182 -5.1181 -5.1181 6.5198 6.5198 6.5220 6.5220 6.8749 6.8749 6.8751 6.8751 8.7666 8.7666 8.7764 8.7764 8.8447 8.8447 8.8456 8.8456 9.1821 9.1821 9.1937 9.1937 10.4649 10.4649 10.4689 10.4689 15.5381 15.5381 15.5383 15.5383 16.0735 16.0735 16.0809 16.0809 16.6892 16.6892 k = 0.4672 0.4672 0.3437 ( 2570 PWs) bands (ev): -36.9599 -36.9599 -36.9599 -36.9599 -16.3881 -16.3881 -16.3764 -16.3764 -14.7966 -14.7966 -14.7964 -14.7964 -14.5860 -14.5860 -14.5684 -14.5684 -5.2331 -5.2331 -5.2212 -5.2212 -5.1203 -5.1203 -5.1202 -5.1202 6.5233 6.5233 6.5261 6.5261 6.8836 6.8836 6.8840 6.8840 8.7286 8.7286 8.7389 8.7389 8.8343 8.8343 8.8350 8.8350 9.2203 9.2203 9.2335 9.2335 10.4556 10.4556 10.4609 10.4609 15.5341 15.5341 15.5342 15.5342 16.0565 16.0565 16.0652 16.0652 16.6980 16.6980 k = 0.4590 0.4590 0.3437 ( 2570 PWs) bands (ev): -36.9600 -36.9600 -36.9600 -36.9600 -16.3887 -16.3887 -16.3741 -16.3741 -14.7956 -14.7956 -14.7952 -14.7952 -14.5869 -14.5869 -14.5651 -14.5651 -5.2374 -5.2374 -5.2227 -5.2227 -5.1230 -5.1230 -5.1228 -5.1228 6.5277 6.5277 6.5312 6.5312 6.8949 6.8949 6.8955 6.8955 8.6866 8.6866 8.6968 8.6968 8.8233 8.8233 8.8237 8.8237 9.2613 9.2613 9.2757 9.2757 10.4438 10.4438 10.4502 10.4502 15.5287 15.5287 15.5287 15.5287 16.0374 16.0374 16.0468 16.0468 16.7079 16.7079 k = 0.4508 0.4508 0.3437 ( 2566 PWs) bands (ev): -36.9602 -36.9602 -36.9602 -36.9602 -16.3890 -16.3890 -16.3716 -16.3716 -14.7943 -14.7943 -14.7937 -14.7937 -14.5875 -14.5875 -14.5616 -14.5616 -5.2425 -5.2425 -5.2251 -5.2251 -5.1262 -5.1262 -5.1257 -5.1257 6.5331 6.5331 6.5370 6.5370 6.9087 6.9087 6.9095 6.9095 8.6425 8.6425 8.6523 8.6523 8.8111 8.8111 8.8111 8.8111 9.3037 9.3037 9.3189 9.3189 10.4296 10.4296 10.4371 10.4371 15.5219 15.5219 15.5220 15.5220 16.0171 16.0171 16.0268 16.0268 16.7189 16.7189 k = 0.4426 0.4426 0.3437 ( 2574 PWs) bands (ev): -36.9605 -36.9605 -36.9605 -36.9605 -16.3892 -16.3892 -16.3689 -16.3689 -14.7928 -14.7928 -14.7919 -14.7919 -14.5878 -14.5878 -14.5579 -14.5579 -5.2483 -5.2483 -5.2284 -5.2284 -5.1297 -5.1297 -5.1288 -5.1288 6.5392 6.5392 6.5436 6.5436 6.9249 6.9249 6.9260 6.9260 8.5975 8.5975 8.6068 8.6068 8.7971 8.7971 8.7973 8.7973 9.3464 9.3464 9.3623 9.3623 10.4128 10.4128 10.4214 10.4214 15.5134 15.5134 15.5138 15.5138 15.9967 15.9967 16.0062 16.0062 16.7311 16.7311 k = 0.4344 0.4344 0.3437 ( 2578 PWs) bands (ev): -36.9608 -36.9608 -36.9608 -36.9608 -16.3891 -16.3891 -16.3660 -16.3660 -14.7911 -14.7911 -14.7899 -14.7899 -14.5877 -14.5877 -14.5540 -14.5540 -5.2550 -5.2550 -5.2328 -5.2328 -5.1334 -5.1334 -5.1321 -5.1321 6.5460 6.5460 6.5508 6.5508 6.9434 6.9434 6.9449 6.9449 8.5524 8.5524 8.5612 8.5612 8.7817 8.7817 8.7820 8.7820 9.3891 9.3891 9.4055 9.4055 10.3937 10.3937 10.4031 10.4031 15.5035 15.5035 15.5041 15.5041 15.9766 15.9766 15.9857 15.9857 16.7446 16.7446 k = 0.4262 0.4262 0.3437 ( 2586 PWs) bands (ev): -36.9611 -36.9611 -36.9611 -36.9611 -16.3888 -16.3888 -16.3630 -16.3630 -14.7893 -14.7893 -14.7875 -14.7875 -14.5873 -14.5873 -14.5500 -14.5500 -5.2626 -5.2626 -5.2384 -5.2384 -5.1374 -5.1374 -5.1352 -5.1352 6.5533 6.5533 6.5585 6.5585 6.9642 6.9642 6.9661 6.9661 8.5076 8.5076 8.5158 8.5158 8.7649 8.7649 8.7652 8.7652 9.4312 9.4312 9.4480 9.4480 10.3720 10.3720 10.3822 10.3822 15.4918 15.4918 15.4929 15.4929 15.9576 15.9576 15.9660 15.9660 16.7595 16.7595 k = 0.4180 0.4180 0.3437 ( 2586 PWs) bands (ev): -36.9614 -36.9614 -36.9614 -36.9614 -16.3883 -16.3883 -16.3599 -16.3599 -14.7872 -14.7872 -14.7848 -14.7848 -14.5865 -14.5865 -14.5459 -14.5459 -5.2712 -5.2712 -5.2453 -5.2453 -5.1414 -5.1414 -5.1383 -5.1383 6.5612 6.5612 6.5665 6.5665 6.9870 6.9870 6.9896 6.9896 8.4637 8.4637 8.4713 8.4713 8.7468 8.7468 8.7470 8.7470 9.4726 9.4726 9.4896 9.4896 10.3480 10.3480 10.3589 10.3589 15.4787 15.4787 15.4802 15.4802 15.9400 15.9400 15.9476 15.9476 16.7758 16.7758 k = 0.4098 0.4098 0.3437 ( 2590 PWs) bands (ev): -36.9618 -36.9618 -36.9618 -36.9618 -16.3876 -16.3876 -16.3566 -16.3566 -14.7850 -14.7850 -14.7819 -14.7819 -14.5854 -14.5854 -14.5416 -14.5416 -5.2808 -5.2808 -5.2535 -5.2535 -5.1454 -5.1454 -5.1411 -5.1411 6.5693 6.5693 6.5749 6.5749 7.0118 7.0118 7.0149 7.0149 8.4210 8.4210 8.4281 8.4281 8.7275 8.7275 8.7276 8.7276 9.5129 9.5129 9.5300 9.5300 10.3216 10.3216 10.3330 10.3330 15.4641 15.4641 15.4663 15.4663 15.9239 15.9239 15.9305 15.9305 16.7934 16.7934 k = 0.4016 0.4016 0.3437 ( 2588 PWs) bands (ev): -36.9622 -36.9622 -36.9622 -36.9622 -16.3867 -16.3867 -16.3532 -16.3532 -14.7826 -14.7826 -14.7786 -14.7786 -14.5840 -14.5840 -14.5372 -14.5372 -5.2915 -5.2915 -5.2630 -5.2630 -5.1493 -5.1493 -5.1437 -5.1437 6.5778 6.5778 6.5834 6.5834 7.0383 7.0383 7.0420 7.0420 8.3799 8.3799 8.3864 8.3864 8.7070 8.7070 8.7074 8.7074 9.5521 9.5521 9.5692 9.5692 10.2928 10.2928 10.3047 10.3047 15.4483 15.4483 15.4511 15.4511 15.9093 15.9093 15.9151 15.9151 16.8122 16.8122 k = 0.3934 0.3934 0.3437 ( 2588 PWs) bands (ev): -36.9626 -36.9626 -36.9626 -36.9626 -16.3856 -16.3856 -16.3496 -16.3496 -14.7801 -14.7801 -14.7751 -14.7751 -14.5822 -14.5822 -14.5327 -14.5327 -5.3032 -5.3032 -5.2738 -5.2738 -5.1531 -5.1531 -5.1459 -5.1459 6.5864 6.5864 6.5920 6.5920 7.0660 7.0660 7.0705 7.0705 8.3408 8.3408 8.3468 8.3468 8.6855 8.6855 8.6864 8.6864 9.5900 9.5900 9.6070 9.6070 10.2618 10.2618 10.2739 10.2739 15.4315 15.4315 15.4351 15.4351 15.8963 15.8963 15.9012 15.9012 16.8323 16.8323 k = 0.3852 0.3852 0.3437 ( 2588 PWs) bands (ev): -36.9631 -36.9631 -36.9631 -36.9631 -16.3843 -16.3843 -16.3459 -16.3459 -14.7774 -14.7774 -14.7712 -14.7712 -14.5801 -14.5801 -14.5282 -14.5282 -5.3159 -5.3159 -5.2859 -5.2859 -5.1568 -5.1568 -5.1479 -5.1479 6.5951 6.5951 6.6007 6.6007 7.0947 7.0947 7.0999 7.0999 8.3043 8.3043 8.3098 8.3098 8.6633 8.6633 8.6647 8.6647 9.6263 9.6263 9.6431 9.6431 10.2286 10.2286 10.2409 10.2409 15.4140 15.4140 15.4185 15.4185 15.8848 15.8848 15.8886 15.8886 16.8534 16.8534 k = 0.3770 0.3770 0.3437 ( 2588 PWs) bands (ev): -36.9636 -36.9636 -36.9636 -36.9636 -16.3828 -16.3828 -16.3421 -16.3421 -14.7745 -14.7745 -14.7671 -14.7671 -14.5777 -14.5777 -14.5236 -14.5236 -5.3296 -5.3296 -5.2991 -5.2991 -5.1604 -5.1604 -5.1497 -5.1497 6.6037 6.6037 6.6093 6.6093 7.1238 7.1238 7.1296 7.1296 8.2709 8.2709 8.2759 8.2759 8.6403 8.6403 8.6424 8.6424 9.6610 9.6610 9.6775 9.6775 10.1933 10.1933 10.2057 10.2057 15.3961 15.3961 15.4016 15.4016 15.8744 15.8744 15.8773 15.8773 16.8757 16.8757 k = 0.3689 0.3689 0.3437 ( 2586 PWs) bands (ev): -36.9641 -36.9641 -36.9641 -36.9641 -16.3812 -16.3812 -16.3382 -16.3382 -14.7716 -14.7716 -14.7627 -14.7627 -14.5750 -14.5750 -14.5189 -14.5189 -5.3443 -5.3443 -5.3134 -5.3134 -5.1638 -5.1638 -5.1512 -5.1512 6.6123 6.6123 6.6179 6.6179 7.1528 7.1528 7.1592 7.1592 8.2413 8.2413 8.2457 8.2457 8.6169 8.6169 8.6198 8.6198 9.6939 9.6939 9.7099 9.7099 10.1561 10.1561 10.1687 10.1687 15.3782 15.3782 15.3847 15.3847 15.8649 15.8649 15.8670 15.8670 16.8988 16.8988 k = 0.3607 0.3607 0.3437 ( 2586 PWs) bands (ev): -36.9646 -36.9646 -36.9646 -36.9646 -16.3793 -16.3793 -16.3342 -16.3342 -14.7684 -14.7684 -14.7580 -14.7580 -14.5719 -14.5719 -14.5142 -14.5142 -5.3598 -5.3598 -5.3288 -5.3288 -5.1670 -5.1670 -5.1527 -5.1527 6.6208 6.6208 6.6263 6.6263 7.1808 7.1808 7.1878 7.1878 8.2161 8.2161 8.2200 8.2200 8.5931 8.5931 8.5968 8.5968 9.7247 9.7247 9.7400 9.7400 10.1175 10.1175 10.1300 10.1300 15.3606 15.3606 15.3681 15.3681 15.8562 15.8562 15.8575 15.8575 16.9228 16.9228 k = 0.3525 0.3525 0.3437 ( 2578 PWs) bands (ev): -36.9651 -36.9651 -36.9651 -36.9651 -16.3772 -16.3772 -16.3302 -16.3302 -14.7652 -14.7652 -14.7531 -14.7531 -14.5685 -14.5685 -14.5095 -14.5095 -5.3762 -5.3762 -5.3450 -5.3450 -5.1701 -5.1701 -5.1540 -5.1540 6.6291 6.6291 6.6346 6.6346 7.2070 7.2070 7.2146 7.2146 8.1961 8.1961 8.1995 8.1995 8.5691 8.5691 8.5736 8.5736 9.7528 9.7528 9.7674 9.7674 10.0778 10.0778 10.0903 10.0903 15.3435 15.3435 15.3521 15.3521 15.8481 15.8481 15.8484 15.8484 16.9476 16.9476 k = 0.3443 0.3443 0.3437 ( 2578 PWs) bands (ev): -36.9657 -36.9657 -36.9657 -36.9657 -16.3750 -16.3750 -16.3260 -16.3260 -14.7618 -14.7618 -14.7479 -14.7479 -14.5649 -14.5649 -14.5048 -14.5048 -5.3933 -5.3933 -5.3621 -5.3621 -5.1731 -5.1731 -5.1552 -5.1552 6.6372 6.6372 6.6426 6.6426 7.2307 7.2307 7.2387 7.2387 8.1823 8.1823 8.1851 8.1851 8.5449 8.5449 8.5504 8.5504 9.7775 9.7775 9.7910 9.7910 10.0381 10.0381 10.0506 10.0506 15.3273 15.3273 15.3368 15.3368 15.8397 15.8397 15.8402 15.8402 16.9731 16.9731 k = 0.3361 0.3361 0.3437 ( 2576 PWs) bands (ev): -36.9663 -36.9663 -36.9663 -36.9663 -16.3726 -16.3726 -16.3218 -16.3218 -14.7582 -14.7582 -14.7425 -14.7425 -14.5610 -14.5610 -14.5002 -14.5002 -5.4111 -5.4111 -5.3800 -5.3800 -5.1760 -5.1760 -5.1563 -5.1563 6.6451 6.6451 6.6504 6.6504 7.2508 7.2508 7.2592 7.2592 8.1755 8.1755 8.1777 8.1777 8.5206 8.5206 8.5272 8.5272 9.7966 9.7966 9.8087 9.8087 10.0005 10.0005 10.0132 10.0132 15.3120 15.3120 15.3225 15.3225 15.8311 15.8311 15.8324 15.8324 16.9992 16.9992 k = 0.3279 0.3279 0.3437 ( 2580 PWs) bands (ev): -36.9669 -36.9669 -36.9669 -36.9669 -16.3700 -16.3700 -16.3176 -16.3176 -14.7546 -14.7546 -14.7369 -14.7369 -14.5568 -14.5568 -14.4955 -14.4955 -5.4295 -5.4295 -5.3985 -5.3985 -5.1787 -5.1787 -5.1575 -5.1575 6.6526 6.6526 6.6580 6.6580 7.2667 7.2667 7.2752 7.2752 8.1763 8.1763 8.1779 8.1779 8.4963 8.4963 8.5041 8.5041 9.8057 9.8057 9.8161 9.8161 9.9695 9.9695 9.9827 9.9827 15.2979 15.2979 15.3094 15.3094 15.8224 15.8224 15.8245 15.8245 17.0258 17.0258 k = 0.3197 0.3197 0.3437 ( 2584 PWs) bands (ev): -36.9676 -36.9676 -36.9676 -36.9676 -16.3672 -16.3672 -16.3133 -16.3133 -14.7508 -14.7508 -14.7310 -14.7310 -14.5523 -14.5523 -14.4909 -14.4909 -5.4485 -5.4485 -5.4176 -5.4176 -5.1814 -5.1814 -5.1587 -5.1587 6.6599 6.6599 6.6652 6.6652 7.2776 7.2776 7.2861 7.2861 8.1854 8.1854 8.1863 8.1863 8.4721 8.4721 8.4812 8.4812 9.7979 9.7979 9.8065 9.8065 9.9523 9.9523 9.9658 9.9658 15.2851 15.2851 15.2975 15.2975 15.8135 15.8135 15.8164 15.8164 17.0529 17.0529 k = 0.3115 0.3115 0.3437 ( 2592 PWs) bands (ev): -36.9683 -36.9683 -36.9683 -36.9683 -16.3643 -16.3643 -16.3090 -16.3090 -14.7469 -14.7469 -14.7249 -14.7249 -14.5477 -14.5477 -14.4863 -14.4863 -5.4679 -5.4679 -5.4372 -5.4372 -5.1840 -5.1840 -5.1598 -5.1598 6.6669 6.6669 6.6723 6.6723 7.2834 7.2834 7.2918 7.2918 8.2027 8.2027 8.2030 8.2030 8.4481 8.4481 8.4586 8.4586 9.7705 9.7705 9.7780 9.7780 9.9518 9.9518 9.9648 9.9648 15.2737 15.2737 15.2869 15.2869 15.8043 15.8043 15.8080 15.8080 17.0804 17.0804 k = 0.3033 0.3033 0.3437 ( 2610 PWs) bands (ev): -36.9690 -36.9690 -36.9690 -36.9690 -16.3613 -16.3613 -16.3046 -16.3046 -14.7429 -14.7429 -14.7187 -14.7187 -14.5428 -14.5428 -14.4818 -14.4818 -5.4878 -5.4878 -5.4573 -5.4573 -5.1866 -5.1866 -5.1611 -5.1611 6.6736 6.6736 6.6790 6.6790 7.2840 7.2840 7.2922 7.2922 8.2279 8.2279 8.2280 8.2280 8.4243 8.4243 8.4365 8.4365 9.7295 9.7295 9.7364 9.7364 9.9619 9.9619 9.9740 9.9740 15.2637 15.2637 15.2776 15.2776 15.7946 15.7946 15.7992 15.7992 17.1083 17.1083 k = 0.2951 0.2951 0.3437 ( 2610 PWs) bands (ev): -36.9697 -36.9697 -36.9697 -36.9697 -16.3581 -16.3581 -16.3003 -16.3003 -14.7388 -14.7388 -14.7123 -14.7123 -14.5377 -14.5377 -14.4773 -14.4773 -5.5080 -5.5080 -5.4778 -5.4778 -5.1891 -5.1891 -5.1623 -5.1623 6.6800 6.6800 6.6855 6.6855 7.2799 7.2799 7.2878 7.2878 8.2600 8.2600 8.2604 8.2604 8.4009 8.4009 8.4155 8.4155 9.6813 9.6813 9.6876 9.6876 9.9768 9.9768 9.9877 9.9877 15.2552 15.2552 15.2697 15.2697 15.7846 15.7846 15.7900 15.7900 17.1365 17.1365 k = 0.2869 0.2869 0.3437 ( 2610 PWs) bands (ev): -36.9704 -36.9704 -36.9704 -36.9704 -16.3548 -16.3548 -16.2960 -16.2960 -14.7345 -14.7345 -14.7057 -14.7057 -14.5325 -14.5325 -14.4729 -14.4729 -5.5285 -5.5285 -5.4985 -5.4985 -5.1915 -5.1915 -5.1636 -5.1636 6.6861 6.6861 6.6917 6.6917 7.2716 7.2716 7.2793 7.2793 8.2962 8.2962 8.2990 8.2990 8.3787 8.3787 8.3975 8.3975 9.6288 9.6288 9.6346 9.6346 9.9935 9.9935 10.0031 10.0031 15.2482 15.2482 15.2632 15.2632 15.7740 15.7740 15.7804 15.7804 17.1650 17.1650 k = 0.2787 0.2787 0.3437 ( 2610 PWs) bands (ev): -36.9711 -36.9711 -36.9711 -36.9711 -16.3513 -16.3513 -16.2917 -16.2917 -14.7302 -14.7302 -14.6990 -14.6990 -14.5271 -14.5271 -14.4686 -14.4686 -5.5492 -5.5492 -5.5195 -5.5195 -5.1939 -5.1939 -5.1650 -5.1650 6.6920 6.6920 6.6977 6.6977 7.2598 7.2598 7.2672 7.2672 8.3255 8.3255 8.3336 8.3336 8.3668 8.3668 8.3927 8.3927 9.5737 9.5737 9.5788 9.5788 10.0107 10.0107 10.0191 10.0191 15.2425 15.2425 15.2578 15.2578 15.7630 15.7630 15.7703 15.7703 17.1938 17.1938 k = 0.2705 0.2705 0.3437 ( 2608 PWs) bands (ev): -36.9718 -36.9718 -36.9718 -36.9718 -16.3477 -16.3477 -16.2874 -16.2874 -14.7257 -14.7257 -14.6923 -14.6923 -14.5215 -14.5215 -14.4644 -14.4644 -5.5700 -5.5700 -5.5407 -5.5407 -5.1963 -5.1963 -5.1665 -5.1665 6.6977 6.6977 6.7036 6.7036 7.2453 7.2453 7.2525 7.2525 8.3241 8.3241 8.3256 8.3256 8.4046 8.4046 8.4226 8.4226 9.5167 9.5167 9.5212 9.5212 10.0279 10.0279 10.0350 10.0350 15.2381 15.2381 15.2536 15.2536 15.7515 15.7515 15.7598 15.7598 17.2213 17.2214 k = 0.2623 0.2623 0.3437 ( 2602 PWs) bands (ev): -36.9725 -36.9725 -36.9725 -36.9725 -16.3440 -16.3440 -16.2832 -16.2832 -14.7212 -14.7212 -14.6854 -14.6854 -14.5158 -14.5158 -14.4603 -14.4603 -5.5909 -5.5909 -5.5620 -5.5620 -5.1986 -5.1986 -5.1680 -5.1680 6.7032 6.7032 6.7093 6.7093 7.2289 7.2289 7.2358 7.2358 8.3022 8.3022 8.3089 8.3089 8.4593 8.4593 8.4738 8.4738 9.4583 9.4583 9.4621 9.4621 10.0448 10.0448 10.0506 10.0506 15.2349 15.2349 15.2504 15.2504 15.7395 15.7395 15.7490 15.7490 17.2476 17.2476 k = 0.2541 0.2541 0.3437 ( 2598 PWs) bands (ev): -36.9732 -36.9732 -36.9731 -36.9731 -16.3403 -16.3403 -16.2790 -16.2790 -14.7166 -14.7166 -14.6785 -14.6785 -14.5101 -14.5101 -14.4563 -14.4563 -5.6118 -5.6118 -5.5834 -5.5834 -5.2009 -5.2009 -5.1697 -5.1697 6.7086 6.7086 6.7148 6.7148 7.2110 7.2110 7.2177 7.2177 8.2792 8.2792 8.2882 8.2882 8.5191 8.5191 8.5326 8.5326 9.3988 9.3988 9.4020 9.4020 10.0613 10.0613 10.0659 10.0659 15.2327 15.2327 15.2480 15.2480 15.7272 15.7272 15.7378 15.7378 17.2743 17.2743 k = 0.2459 0.2459 0.3437 ( 2598 PWs) bands (ev): -36.9739 -36.9739 -36.9739 -36.9739 -16.3364 -16.3364 -16.2749 -16.2749 -14.7118 -14.7118 -14.6715 -14.6715 -14.5042 -14.5042 -14.4524 -14.4524 -5.6326 -5.6326 -5.6048 -5.6048 -5.2032 -5.2032 -5.1714 -5.1714 6.7138 6.7138 6.7203 6.7203 7.1923 7.1923 7.1989 7.1989 8.2558 8.2558 8.2663 8.2663 8.5822 8.5822 8.5956 8.5956 9.3385 9.3385 9.3411 9.3411 10.0775 10.0775 10.0809 10.0809 15.2314 15.2314 15.2463 15.2463 15.7147 15.7147 15.7265 15.7265 17.3014 17.3014 k = 0.2377 0.2377 0.3437 ( 2594 PWs) bands (ev): -36.9746 -36.9746 -36.9746 -36.9746 -16.3324 -16.3324 -16.2709 -16.2709 -14.7070 -14.7070 -14.6645 -14.6645 -14.4983 -14.4983 -14.4487 -14.4487 -5.6534 -5.6534 -5.6261 -5.6261 -5.2054 -5.2054 -5.1732 -5.1732 6.7190 6.7190 6.7258 6.7258 7.1732 7.1732 7.1796 7.1796 8.2322 8.2322 8.2436 8.2436 8.6479 8.6479 8.6615 8.6615 9.2778 9.2778 9.2797 9.2797 10.0933 10.0933 10.0956 10.0956 15.2308 15.2308 15.2451 15.2451 15.7020 15.7020 15.7152 15.7152 17.3290 17.3290 k = 0.2295 0.2295 0.3437 ( 2590 PWs) bands (ev): -36.9752 -36.9752 -36.9752 -36.9752 -16.3284 -16.3284 -16.2669 -16.2669 -14.7021 -14.7021 -14.6576 -14.6576 -14.4924 -14.4924 -14.4450 -14.4450 -5.6740 -5.6740 -5.6473 -5.6473 -5.2076 -5.2076 -5.1750 -5.1750 6.7242 6.7242 6.7312 6.7312 7.1541 7.1541 7.1605 7.1605 8.2084 8.2084 8.2204 8.2204 8.7153 8.7153 8.7293 8.7293 9.2169 9.2169 9.2181 9.2181 10.1089 10.1089 10.1100 10.1100 15.2306 15.2306 15.2441 15.2441 15.6893 15.6893 15.7039 15.7039 17.3571 17.3571 k = 0.2213 0.2213 0.3437 ( 2590 PWs) bands (ev): -36.9760 -36.9760 -36.9760 -36.9760 -16.3243 -16.3243 -16.2631 -16.2631 -14.6972 -14.6972 -14.6507 -14.6507 -14.4864 -14.4864 -14.4415 -14.4415 -5.6944 -5.6944 -5.6683 -5.6683 -5.2098 -5.2098 -5.1770 -5.1770 6.7294 6.7294 6.7367 6.7367 7.1354 7.1354 7.1417 7.1417 8.1844 8.1844 8.1968 8.1968 8.7838 8.7838 8.7983 8.7983 9.1562 9.1562 9.1567 9.1567 10.1242 10.1242 10.1243 10.1243 15.2305 15.2305 15.2430 15.2430 15.6768 15.6768 15.6930 15.6930 17.3860 17.3860 k = 0.2131 0.2131 0.3437 ( 2586 PWs) bands (ev): -36.9766 -36.9766 -36.9766 -36.9766 -16.3201 -16.3201 -16.2594 -16.2594 -14.6921 -14.6921 -14.6439 -14.6439 -14.4805 -14.4805 -14.4380 -14.4380 -5.7145 -5.7145 -5.6891 -5.6891 -5.2119 -5.2119 -5.1790 -5.1790 6.7347 6.7347 6.7423 6.7423 7.1174 7.1174 7.1235 7.1235 8.1601 8.1601 8.1728 8.1728 8.8518 8.8518 8.8670 8.8670 9.0965 9.0965 9.0970 9.0970 10.1384 10.1384 10.1396 10.1396 15.2305 15.2305 15.2417 15.2417 15.6646 15.6646 15.6824 15.6824 17.4156 17.4156 k = 0.2049 0.2049 0.3437 ( 2590 PWs) bands (ev): -36.9773 -36.9773 -36.9773 -36.9773 -16.3159 -16.3159 -16.2558 -16.2558 -14.6871 -14.6871 -14.6372 -14.6372 -14.4746 -14.4746 -14.4347 -14.4347 -5.7343 -5.7343 -5.7096 -5.7096 -5.2139 -5.2139 -5.1812 -5.1812 6.7401 6.7401 6.7480 6.7480 7.1002 7.1002 7.1062 7.1062 8.1356 8.1356 8.1483 8.1483 8.9144 8.9144 8.9305 8.9305 9.0422 9.0422 9.0438 9.0438 10.1526 10.1526 10.1548 10.1548 15.2300 15.2300 15.2398 15.2398 15.6531 15.6531 15.6725 15.6725 17.4462 17.4473 k = 0.1967 0.1967 0.3437 ( 2582 PWs) bands (ev): -36.9780 -36.9780 -36.9780 -36.9780 -16.3117 -16.3117 -16.2523 -16.2523 -14.6819 -14.6819 -14.6306 -14.6306 -14.4687 -14.4687 -14.4315 -14.4315 -5.7538 -5.7538 -5.7297 -5.7297 -5.2160 -5.2160 -5.1833 -5.1833 6.7456 6.7456 6.7538 6.7538 7.0840 7.0840 7.0900 7.0900 8.1109 8.1109 8.1235 8.1235 8.9366 8.9366 8.9459 8.9459 9.0314 9.0314 9.0365 9.0365 10.1669 10.1669 10.1701 10.1701 15.2289 15.2289 15.2372 15.2372 15.6423 15.6423 15.6634 15.6634 17.4779 17.4782 k = 0.1885 0.1885 0.3437 ( 2582 PWs) bands (ev): -36.9787 -36.9787 -36.9787 -36.9787 -16.3074 -16.3074 -16.2490 -16.2490 -14.6768 -14.6768 -14.6242 -14.6242 -14.4629 -14.4629 -14.4284 -14.4284 -5.7728 -5.7728 -5.7495 -5.7495 -5.2179 -5.2179 -5.1856 -5.1856 6.7513 6.7513 6.7597 6.7597 7.0691 7.0691 7.0750 7.0750 8.0859 8.0859 8.0982 8.0982 8.8933 8.8933 8.8966 8.8966 9.0847 9.0847 9.0956 9.0956 10.1815 10.1815 10.1855 10.1855 15.2270 15.2270 15.2335 15.2335 15.6325 15.6325 15.6552 15.6552 17.5107 17.5107 k = 0.1803 0.1803 0.3437 ( 2590 PWs) bands (ev): -36.9794 -36.9794 -36.9794 -36.9794 -16.3032 -16.3032 -16.2458 -16.2458 -14.6716 -14.6716 -14.6180 -14.6180 -14.4573 -14.4573 -14.4254 -14.4254 -5.7913 -5.7913 -5.7688 -5.7688 -5.2198 -5.2198 -5.1879 -5.1879 6.7571 6.7571 6.7658 6.7658 7.0556 7.0556 7.0615 7.0615 8.0605 8.0605 8.0725 8.0725 8.8368 8.8368 8.8385 8.8385 9.1511 9.1511 9.1634 9.1634 10.1963 10.1963 10.2011 10.2011 15.2239 15.2239 15.2287 15.2287 15.6238 15.6238 15.6481 15.6481 17.5450 17.5452 k = 0.1721 0.1721 0.3437 ( 2592 PWs) bands (ev): -36.9800 -36.9800 -36.9800 -36.9800 -16.2989 -16.2989 -16.2429 -16.2429 -14.6664 -14.6664 -14.6120 -14.6120 -14.4517 -14.4517 -14.4226 -14.4226 -5.8094 -5.8094 -5.7877 -5.7877 -5.2217 -5.2217 -5.1902 -5.1902 6.7630 6.7630 6.7719 6.7719 7.0437 7.0437 7.0494 7.0494 8.0350 8.0350 8.0464 8.0464 8.7784 8.7784 8.7794 8.7794 9.2190 9.2190 9.2319 9.2319 10.2115 10.2115 10.2170 10.2170 15.2194 15.2194 15.2227 15.2227 15.6165 15.6165 15.6422 15.6422 17.5807 17.5813 k = 0.1639 0.1639 0.3437 ( 2596 PWs) bands (ev): -36.9806 -36.9806 -36.9806 -36.9806 -16.2947 -16.2947 -16.2400 -16.2400 -14.6612 -14.6612 -14.6063 -14.6063 -14.4462 -14.4462 -14.4198 -14.4198 -5.8268 -5.8268 -5.8060 -5.8060 -5.2234 -5.2234 -5.1926 -5.1926 6.7691 6.7691 6.7782 6.7782 7.0334 7.0334 7.0390 7.0390 8.0091 8.0091 8.0200 8.0200 8.7202 8.7202 8.7207 8.7207 9.2863 9.2863 9.2995 9.2995 10.2272 10.2272 10.2333 10.2333 15.2136 15.2136 15.2153 15.2153 15.6106 15.6106 15.6374 15.6374 17.6179 17.6179 k = 0.1557 0.1557 0.3437 ( 2590 PWs) bands (ev): -36.9812 -36.9812 -36.9812 -36.9812 -16.2904 -16.2904 -16.2374 -16.2374 -14.6559 -14.6559 -14.6009 -14.6009 -14.4409 -14.4409 -14.4171 -14.4171 -5.8437 -5.8437 -5.8238 -5.8238 -5.2251 -5.2251 -5.1950 -5.1950 6.7752 6.7752 6.7845 6.7845 7.0248 7.0248 7.0304 7.0304 7.9831 7.9831 7.9932 7.9932 8.6626 8.6626 8.6629 8.6629 9.3521 9.3521 9.3654 9.3654 10.2435 10.2435 10.2501 10.2501 15.2063 15.2063 15.2066 15.2066 15.6061 15.6061 15.6338 15.6338 17.6568 17.6569 k = 0.1475 0.1475 0.3437 ( 2590 PWs) bands (ev): -36.9818 -36.9818 -36.9818 -36.9818 -16.2862 -16.2862 -16.2350 -16.2350 -14.6507 -14.6507 -14.5958 -14.5958 -14.4358 -14.4358 -14.4145 -14.4145 -5.8599 -5.8599 -5.8409 -5.8409 -5.2267 -5.2267 -5.1975 -5.1975 6.7813 6.7813 6.7909 6.7909 7.0181 7.0181 7.0237 7.0237 7.9568 7.9568 7.9661 7.9661 8.6061 8.6061 8.6062 8.6062 9.4159 9.4159 9.4291 9.4291 10.2604 10.2604 10.2675 10.2675 15.1966 15.1966 15.1976 15.1976 15.6031 15.6031 15.6312 15.6312 17.6976 17.6978 k = 0.1393 0.1393 0.3437 ( 2594 PWs) bands (ev): -36.9824 -36.9824 -36.9824 -36.9824 -16.2821 -16.2821 -16.2327 -16.2327 -14.6455 -14.6455 -14.5910 -14.5910 -14.4308 -14.4308 -14.4120 -14.4120 -5.8755 -5.8755 -5.8574 -5.8574 -5.2282 -5.2282 -5.1999 -5.1999 6.7874 6.7874 6.7971 6.7971 7.0134 7.0134 7.0188 7.0188 7.9304 7.9304 7.9387 7.9387 8.5508 8.5508 8.5509 8.5509 9.4773 9.4773 9.4903 9.4903 10.2781 10.2781 10.2854 10.2854 15.1856 15.1856 15.1876 15.1876 15.6013 15.6013 15.6297 15.6297 17.7402 17.7419 k = 0.1311 0.1311 0.3437 ( 2588 PWs) bands (ev): -36.9829 -36.9829 -36.9829 -36.9829 -16.2780 -16.2780 -16.2307 -16.2307 -14.6404 -14.6404 -14.5866 -14.5866 -14.4261 -14.4261 -14.4095 -14.4095 -5.8903 -5.8903 -5.8732 -5.8732 -5.2296 -5.2296 -5.2024 -5.2024 6.7935 6.7935 6.8032 6.8032 7.0106 7.0106 7.0160 7.0160 7.9038 7.9038 7.9112 7.9112 8.4971 8.4971 8.4972 8.4972 9.5358 9.5358 9.5485 9.5485 10.2966 10.2966 10.3041 10.3041 15.1737 15.1737 15.1764 15.1764 15.6007 15.6007 15.6289 15.6289 17.7847 17.7868 k = 0.1230 0.1230 0.3437 ( 2592 PWs) bands (ev): -36.9834 -36.9834 -36.9834 -36.9834 -16.2739 -16.2739 -16.2288 -16.2288 -14.6353 -14.6353 -14.5826 -14.5826 -14.4216 -14.4216 -14.4072 -14.4072 -5.9044 -5.9044 -5.8883 -5.8883 -5.2309 -5.2309 -5.2048 -5.2048 6.7993 6.7993 6.8090 6.8090 7.0099 7.0099 7.0152 7.0152 7.8773 7.8773 7.8836 7.8836 8.4452 8.4452 8.4453 8.4453 9.5910 9.5910 9.6033 9.6033 10.3160 10.3160 10.3234 10.3234 15.1610 15.1610 15.1644 15.1644 15.6010 15.6010 15.6288 15.6288 17.8310 17.8316 k = 0.1148 0.1148 0.3437 ( 2596 PWs) bands (ev): -36.9839 -36.9839 -36.9839 -36.9839 -16.2700 -16.2700 -16.2272 -16.2272 -14.6302 -14.6302 -14.5791 -14.5791 -14.4173 -14.4173 -14.4049 -14.4049 -5.9177 -5.9177 -5.9026 -5.9026 -5.2321 -5.2321 -5.2073 -5.2073 6.8050 6.8050 6.8145 6.8145 7.0112 7.0112 7.0164 7.0164 7.8507 7.8507 7.8559 7.8559 8.3951 8.3951 8.3955 8.3955 9.6427 9.6427 9.6544 9.6544 10.3361 10.3361 10.3434 10.3434 15.1479 15.1479 15.1516 15.1516 15.6022 15.6022 15.6292 15.6292 17.8795 17.8840 k = 0.1066 0.1066 0.3437 ( 2592 PWs) bands (ev): -36.9844 -36.9844 -36.9844 -36.9844 -16.2661 -16.2661 -16.2258 -16.2258 -14.6252 -14.6252 -14.5759 -14.5759 -14.4132 -14.4132 -14.4028 -14.4028 -5.9302 -5.9302 -5.9161 -5.9161 -5.2331 -5.2331 -5.2096 -5.2096 6.8104 6.8104 6.8198 6.8198 7.0144 7.0144 7.0196 7.0196 7.8243 7.8243 7.8284 7.8284 8.3473 8.3473 8.3478 8.3478 9.6906 9.6906 9.7015 9.7015 10.3570 10.3570 10.3640 10.3640 15.1345 15.1345 15.1385 15.1385 15.6039 15.6039 15.6300 15.6300 17.9295 17.9303 k = 0.0984 0.0984 0.3437 ( 2596 PWs) bands (ev): -36.9848 -36.9848 -36.9848 -36.9848 -16.2624 -16.2624 -16.2246 -16.2246 -14.6204 -14.6204 -14.5732 -14.5732 -14.4095 -14.4095 -14.4007 -14.4007 -5.9419 -5.9419 -5.9288 -5.9288 -5.2340 -5.2340 -5.2120 -5.2120 6.8155 6.8155 6.8246 6.8246 7.0195 7.0195 7.0247 7.0247 7.7981 7.7981 7.8011 7.8011 8.3018 8.3018 8.3025 8.3025 9.7344 9.7344 9.7446 9.7446 10.3786 10.3786 10.3852 10.3852 15.1211 15.1211 15.1252 15.1252 15.6062 15.6062 15.6310 15.6310 17.9814 17.9839 k = 0.0902 0.0902 0.3437 ( 2596 PWs) bands (ev): -36.9852 -36.9852 -36.9852 -36.9852 -16.2587 -16.2587 -16.2237 -16.2237 -14.6156 -14.6156 -14.5709 -14.5709 -14.4059 -14.4059 -14.3987 -14.3987 -5.9526 -5.9526 -5.9406 -5.9406 -5.2348 -5.2348 -5.2143 -5.2143 6.8203 6.8203 6.8290 6.8290 7.0263 7.0263 7.0314 7.0314 7.7722 7.7722 7.7741 7.7741 8.2590 8.2590 8.2598 8.2598 9.7740 9.7740 9.7834 9.7834 10.4005 10.4005 10.4066 10.4066 15.1080 15.1080 15.1120 15.1120 15.6087 15.6087 15.6320 15.6320 18.0351 18.0355 k = 0.0820 0.0820 0.3437 ( 2596 PWs) bands (ev): -36.9856 -36.9856 -36.9856 -36.9856 -16.2552 -16.2552 -16.2230 -16.2230 -14.6109 -14.6109 -14.5691 -14.5691 -14.4027 -14.4027 -14.3968 -14.3968 -5.9625 -5.9625 -5.9515 -5.9515 -5.2354 -5.2354 -5.2165 -5.2165 6.8249 6.8249 6.8331 6.8331 7.0345 7.0345 7.0396 7.0396 7.7467 7.7467 7.7477 7.7477 8.2190 8.2190 8.2200 8.2200 9.8096 9.8096 9.8180 9.8180 10.4226 10.4226 10.4281 10.4281 15.0952 15.0952 15.0991 15.0991 15.6114 15.6114 15.6331 15.6331 18.0904 18.0907 k = 0.0738 0.0738 0.3437 ( 2604 PWs) bands (ev): -36.9860 -36.9860 -36.9860 -36.9860 -16.2518 -16.2518 -16.2225 -16.2225 -14.6064 -14.6064 -14.5678 -14.5678 -14.3998 -14.3998 -14.3950 -14.3950 -5.9714 -5.9714 -5.9615 -5.9615 -5.2359 -5.2359 -5.2187 -5.2187 6.8291 6.8291 6.8368 6.8368 7.0440 7.0440 7.0490 7.0490 7.7220 7.7220 7.7221 7.7221 8.1821 8.1821 8.1832 8.1832 9.8410 9.8410 9.8485 9.8485 10.4444 10.4444 10.4493 10.4493 15.0830 15.0830 15.0867 15.0867 15.6142 15.6142 15.6341 15.6341 18.1467 18.1473 k = 0.0656 0.0656 0.3437 ( 2600 PWs) bands (ev): -36.9862 -36.9862 -36.9862 -36.9862 -16.2485 -16.2485 -16.2223 -16.2223 -14.6020 -14.6020 -14.5669 -14.5669 -14.3972 -14.3972 -14.3934 -14.3934 -5.9794 -5.9794 -5.9706 -5.9706 -5.2362 -5.2362 -5.2208 -5.2208 6.8331 6.8331 6.8401 6.8401 7.0544 7.0544 7.0593 7.0593 7.6974 7.6974 7.6981 7.6981 8.1484 8.1484 8.1497 8.1497 9.8684 9.8684 9.8750 9.8750 10.4655 10.4655 10.4698 10.4698 15.0716 15.0716 15.0750 15.0750 15.6169 15.6169 15.6349 15.6349 18.2042 18.2056 k = 0.0574 0.0574 0.3437 ( 2608 PWs) bands (ev): -36.9866 -36.9866 -36.9866 -36.9866 -16.2454 -16.2454 -16.2223 -16.2223 -14.5978 -14.5978 -14.5664 -14.5664 -14.3948 -14.3948 -14.3919 -14.3919 -5.9865 -5.9865 -5.9787 -5.9787 -5.2364 -5.2364 -5.2227 -5.2227 6.8368 6.8368 6.8431 6.8431 7.0654 7.0654 7.0700 7.0700 7.6740 7.6740 7.6754 7.6754 8.1182 8.1182 8.1195 8.1195 9.8919 9.8919 9.8976 9.8976 10.4855 10.4855 10.4892 10.4892 15.0612 15.0612 15.0643 15.0643 15.6196 15.6196 15.6356 15.6356 18.2621 18.2625 k = 0.0492 0.0492 0.3437 ( 2612 PWs) bands (ev): -36.9868 -36.9868 -36.9868 -36.9868 -16.2425 -16.2425 -16.2225 -16.2225 -14.5937 -14.5937 -14.5664 -14.5664 -14.3928 -14.3928 -14.3906 -14.3906 -5.9925 -5.9925 -5.9859 -5.9859 -5.2364 -5.2364 -5.2246 -5.2246 6.8401 6.8401 6.8457 6.8457 7.0765 7.0765 7.0809 7.0809 7.6524 7.6524 7.6541 7.6541 8.0916 8.0916 8.0930 8.0930 9.9119 9.9119 9.9166 9.9166 10.5039 10.5039 10.5070 10.5070 15.0519 15.0519 15.0546 15.0546 15.6222 15.6222 15.6360 15.6360 18.3200 18.3212 k = 0.0410 0.0410 0.3437 ( 2616 PWs) bands (ev): -36.9870 -36.9870 -36.9870 -36.9870 -16.2397 -16.2397 -16.2230 -16.2230 -14.5899 -14.5899 -14.5667 -14.5667 -14.3911 -14.3911 -14.3894 -14.3894 -5.9976 -5.9976 -5.9920 -5.9920 -5.2363 -5.2363 -5.2264 -5.2264 6.8432 6.8432 6.8479 6.8479 7.0873 7.0873 7.0913 7.0913 7.6328 7.6328 7.6348 7.6348 8.0689 8.0689 8.0702 8.0702 9.9284 9.9284 9.9322 9.9322 10.5203 10.5203 10.5228 10.5228 15.0439 15.0439 15.0461 15.0461 15.6246 15.6246 15.6362 15.6362 18.3775 18.3783 k = 0.0328 0.0328 0.3437 ( 2618 PWs) bands (ev): -36.9872 -36.9872 -36.9872 -36.9872 -16.2371 -16.2371 -16.2237 -16.2237 -14.5863 -14.5863 -14.5675 -14.5675 -14.3896 -14.3896 -14.3885 -14.3885 -6.0017 -6.0017 -5.9972 -5.9972 -5.2360 -5.2360 -5.2280 -5.2280 6.8458 6.8458 6.8496 6.8496 7.0974 7.0974 7.1008 7.1008 7.6158 7.6158 7.6178 7.6178 8.0502 8.0502 8.0513 8.0513 9.9416 9.9416 9.9446 9.9446 10.5344 10.5344 10.5363 10.5363 15.0372 15.0372 15.0390 15.0390 15.6268 15.6268 15.6362 15.6362 18.4338 18.4347 k = 0.0246 0.0246 0.3437 ( 2622 PWs) bands (ev): -36.9873 -36.9873 -36.9873 -36.9873 -16.2347 -16.2347 -16.2246 -16.2246 -14.5829 -14.5829 -14.5687 -14.5687 -14.3885 -14.3885 -14.3877 -14.3877 -6.0047 -6.0047 -6.0014 -6.0014 -5.2356 -5.2356 -5.2295 -5.2295 6.8480 6.8480 6.8509 6.8509 7.1061 7.1061 7.1089 7.1089 7.6020 7.6020 7.6037 7.6037 8.0355 8.0355 8.0364 8.0364 9.9518 9.9518 9.9540 9.9540 10.5457 10.5457 10.5471 10.5471 15.0319 15.0319 15.0333 15.0333 15.6288 15.6288 15.6358 15.6358 18.4858 18.4878 k = 0.0164 0.0164 0.3437 ( 2622 PWs) bands (ev): -36.9874 -36.9874 -36.9874 -36.9874 -16.2325 -16.2325 -16.2257 -16.2257 -14.5798 -14.5798 -14.5702 -14.5702 -14.3877 -14.3877 -14.3872 -14.3872 -6.0067 -6.0067 -6.0045 -6.0045 -5.2349 -5.2349 -5.2309 -5.2309 6.8498 6.8498 6.8517 6.8517 7.1130 7.1130 7.1149 7.1149 7.5917 7.5917 7.5930 7.5930 8.0251 8.0251 8.0257 8.0257 9.9591 9.9591 9.9605 9.9605 10.5541 10.5541 10.5550 10.5550 15.0281 15.0281 15.0291 15.0291 15.6306 15.6306 15.6353 15.6353 18.5326 18.5348 k = 0.0082 0.0082 0.3437 ( 2622 PWs) bands (ev): -36.9875 -36.9875 -36.9875 -36.9875 -16.2305 -16.2305 -16.2271 -16.2271 -14.5769 -14.5769 -14.5721 -14.5721 -14.3872 -14.3872 -14.3869 -14.3869 -6.0077 -6.0077 -6.0066 -6.0066 -5.2342 -5.2342 -5.2321 -5.2321 6.8510 6.8510 6.8520 6.8520 7.1176 7.1176 7.1186 7.1186 7.5855 7.5855 7.5862 7.5862 8.0188 8.0188 8.0191 8.0191 9.9635 9.9635 9.9642 9.9642 10.5593 10.5593 10.5597 10.5597 15.0260 15.0260 15.0264 15.0264 15.6321 15.6321 15.6345 15.6345 18.5693 18.5834 k = 0.0000 0.0000 0.3437 ( 2622 PWs) bands (ev): -36.9875 -36.9875 -36.9875 -36.9875 -16.2287 -16.2287 -16.2287 -16.2287 -14.5744 -14.5744 -14.5744 -14.5744 -14.3869 -14.3869 -14.3869 -14.3869 -6.0077 -6.0077 -6.0077 -6.0077 -5.2332 -5.2332 -5.2332 -5.2332 6.8518 6.8518 6.8518 6.8518 7.1195 7.1195 7.1195 7.1195 7.5837 7.5837 7.5837 7.5837 8.0168 8.0168 8.0168 8.0168 9.9652 9.9652 9.9652 9.9652 10.5611 10.5611 10.5611 10.5611 15.0254 15.0254 15.0254 15.0254 15.6334 15.6334 15.6334 15.6334 18.5880 18.5880 k = 0.0000 0.5000-0.0000 ( 2568 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3131 -16.3131 -16.3131 -16.3131 -14.7133 -14.7133 -14.7133 -14.7133 -14.4527 -14.4527 -14.4527 -14.4527 -5.6680 -5.6680 -5.6680 -5.6680 -5.1345 -5.1345 -5.1345 -5.1345 6.5270 6.5270 6.5270 6.5270 7.6954 7.6954 7.6954 7.6954 7.9321 7.9321 7.9321 7.9321 8.5991 8.5991 8.5991 8.5991 9.2078 9.2078 9.2078 9.2078 10.4435 10.4435 10.4435 10.4435 14.8984 14.8984 14.8984 14.8984 15.7839 15.7839 15.7839 15.7839 16.9084 16.9084 k = 0.0000 0.5000 0.0115 ( 2576 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3132 -16.3132 -16.3132 -16.3132 -14.7134 -14.7134 -14.7134 -14.7134 -14.4525 -14.4525 -14.4525 -14.4525 -5.6689 -5.6689 -5.6689 -5.6689 -5.1336 -5.1336 -5.1336 -5.1336 6.5279 6.5279 6.5279 6.5279 7.6933 7.6933 7.6933 7.6933 7.9328 7.9328 7.9328 7.9328 8.6019 8.6019 8.6019 8.6019 9.2069 9.2069 9.2069 9.2069 10.4418 10.4418 10.4418 10.4418 14.8987 14.8987 14.8987 14.8987 15.7825 15.7825 15.7825 15.7825 16.9073 16.9073 k = 0.0000 0.5000 0.0229 ( 2576 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3133 -16.3133 -16.3133 -16.3133 -14.7136 -14.7136 -14.7136 -14.7136 -14.4520 -14.4520 -14.4520 -14.4520 -5.6714 -5.6714 -5.6714 -5.6714 -5.1312 -5.1312 -5.1312 -5.1312 6.5305 6.5305 6.5305 6.5305 7.6870 7.6870 7.6870 7.6870 7.9350 7.9350 7.9350 7.9350 8.6100 8.6100 8.6100 8.6100 9.2044 9.2044 9.2044 9.2044 10.4367 10.4367 10.4367 10.4367 14.8995 14.8995 14.8995 14.8995 15.7786 15.7786 15.7786 15.7786 16.9040 16.9040 k = 0.0000 0.5000 0.0344 ( 2572 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3135 -16.3135 -16.3135 -16.3135 -14.7140 -14.7140 -14.7140 -14.7140 -14.4513 -14.4513 -14.4513 -14.4513 -5.6756 -5.6756 -5.6756 -5.6756 -5.1272 -5.1272 -5.1272 -5.1272 6.5350 6.5350 6.5350 6.5350 7.6768 7.6768 7.6768 7.6768 7.9386 7.9386 7.9386 7.9386 8.6232 8.6232 8.6232 8.6232 9.2002 9.2002 9.2002 9.2002 10.4283 10.4283 10.4283 10.4283 14.9010 14.9010 14.9010 14.9010 15.7721 15.7721 15.7721 15.7721 16.8987 16.8987 k = 0.0000 0.5000 0.0458 ( 2572 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3137 -16.3137 -16.3137 -16.3137 -14.7146 -14.7146 -14.7146 -14.7146 -14.4502 -14.4502 -14.4502 -14.4502 -5.6812 -5.6812 -5.6812 -5.6812 -5.1218 -5.1218 -5.1218 -5.1218 6.5412 6.5412 6.5412 6.5412 7.6632 7.6632 7.6632 7.6632 7.9436 7.9436 7.9436 7.9436 8.6410 8.6410 8.6410 8.6410 9.1943 9.1943 9.1943 9.1943 10.4167 10.4167 10.4167 10.4167 14.9030 14.9030 14.9030 14.9030 15.7631 15.7631 15.7631 15.7631 16.8915 16.8915 k = 0.0000 0.5000 0.0573 ( 2572 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3140 -16.3140 -16.3140 -16.3140 -14.7153 -14.7153 -14.7153 -14.7153 -14.4489 -14.4489 -14.4489 -14.4489 -5.6882 -5.6882 -5.6882 -5.6882 -5.1150 -5.1150 -5.1150 -5.1150 6.5490 6.5490 6.5490 6.5490 7.6466 7.6466 7.6466 7.6466 7.9500 7.9500 7.9500 7.9500 8.6630 8.6630 8.6630 8.6630 9.1868 9.1868 9.1868 9.1868 10.4019 10.4019 10.4019 10.4019 14.9055 14.9055 14.9055 14.9055 15.7516 15.7516 15.7516 15.7516 16.8827 16.8827 k = 0.0000 0.5000 0.0687 ( 2578 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3144 -16.3144 -16.3144 -16.3144 -14.7162 -14.7162 -14.7162 -14.7162 -14.4473 -14.4473 -14.4473 -14.4473 -5.6964 -5.6964 -5.6964 -5.6964 -5.1072 -5.1072 -5.1072 -5.1072 6.5585 6.5585 6.5585 6.5585 7.6276 7.6276 7.6276 7.6276 7.9578 7.9578 7.9578 7.9578 8.6885 8.6885 8.6885 8.6885 9.1778 9.1778 9.1778 9.1778 10.3842 10.3842 10.3842 10.3842 14.9084 14.9084 14.9084 14.9084 15.7380 15.7380 15.7380 15.7380 16.8726 16.8726 k = 0.0000 0.5000 0.0802 ( 2582 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3149 -16.3149 -16.3149 -16.3149 -14.7172 -14.7172 -14.7172 -14.7172 -14.4455 -14.4455 -14.4455 -14.4455 -5.7056 -5.7056 -5.7056 -5.7056 -5.0984 -5.0984 -5.0984 -5.0984 6.5696 6.5696 6.5696 6.5696 7.6066 7.6066 7.6066 7.6066 7.9668 7.9668 7.9668 7.9668 8.7170 8.7170 8.7170 8.7170 9.1673 9.1673 9.1673 9.1673 10.3636 10.3636 10.3636 10.3636 14.9118 14.9118 14.9118 14.9118 15.7222 15.7222 15.7222 15.7222 16.8614 16.8614 k = 0.0000 0.5000 0.0917 ( 2582 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3154 -16.3154 -16.3154 -16.3154 -14.7183 -14.7183 -14.7183 -14.7183 -14.4435 -14.4435 -14.4435 -14.4435 -5.7156 -5.7156 -5.7156 -5.7156 -5.0888 -5.0888 -5.0888 -5.0888 6.5823 6.5823 6.5823 6.5823 7.5842 7.5842 7.5842 7.5842 7.9772 7.9772 7.9772 7.9772 8.7478 8.7478 8.7478 8.7478 9.1553 9.1553 9.1553 9.1553 10.3403 10.3403 10.3403 10.3403 14.9156 14.9156 14.9156 14.9156 15.7045 15.7045 15.7045 15.7045 16.8494 16.8494 k = 0.0000 0.5000 0.1031 ( 2590 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3159 -16.3159 -16.3159 -16.3159 -14.7194 -14.7194 -14.7194 -14.7194 -14.4413 -14.4413 -14.4413 -14.4413 -5.7262 -5.7262 -5.7262 -5.7262 -5.0786 -5.0786 -5.0786 -5.0786 6.5963 6.5963 6.5963 6.5963 7.5608 7.5608 7.5608 7.5608 7.9887 7.9887 7.9887 7.9887 8.7805 8.7805 8.7805 8.7805 9.1420 9.1420 9.1420 9.1420 10.3147 10.3147 10.3147 10.3147 14.9197 14.9197 14.9197 14.9197 15.6850 15.6850 15.6850 15.6850 16.8369 16.8369 k = 0.0000 0.5000 0.1146 ( 2590 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3165 -16.3165 -16.3165 -16.3165 -14.7207 -14.7207 -14.7207 -14.7207 -14.4389 -14.4389 -14.4389 -14.4389 -5.7373 -5.7373 -5.7373 -5.7373 -5.0679 -5.0679 -5.0679 -5.0679 6.6116 6.6116 6.6116 6.6116 7.5368 7.5368 7.5368 7.5368 8.0013 8.0013 8.0013 8.0013 8.8146 8.8146 8.8146 8.8146 9.1275 9.1275 9.1275 9.1275 10.2868 10.2868 10.2868 10.2868 14.9241 14.9241 14.9241 14.9241 15.6641 15.6641 15.6641 15.6641 16.8242 16.8242 k = 0.0000 0.5000 0.1260 ( 2586 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3171 -16.3171 -16.3171 -16.3171 -14.7220 -14.7220 -14.7220 -14.7220 -14.4364 -14.4364 -14.4364 -14.4364 -5.7488 -5.7488 -5.7488 -5.7488 -5.0570 -5.0570 -5.0570 -5.0570 6.6282 6.6282 6.6282 6.6282 7.5126 7.5126 7.5126 7.5126 8.0149 8.0149 8.0149 8.0149 8.8495 8.8495 8.8495 8.8495 9.1119 9.1119 9.1119 9.1119 10.2570 10.2570 10.2570 10.2570 14.9286 14.9286 14.9286 14.9286 15.6419 15.6419 15.6419 15.6419 16.8116 16.8116 k = 0.0000 0.5000 0.1375 ( 2590 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3178 -16.3178 -16.3178 -16.3178 -14.7233 -14.7233 -14.7233 -14.7233 -14.4338 -14.4338 -14.4338 -14.4338 -5.7604 -5.7604 -5.7604 -5.7604 -5.0459 -5.0459 -5.0459 -5.0459 6.6458 6.6458 6.6458 6.6458 7.4885 7.4885 7.4885 7.4885 8.0295 8.0295 8.0295 8.0295 8.8849 8.8849 8.8849 8.8849 9.0953 9.0953 9.0953 9.0953 10.2256 10.2256 10.2256 10.2256 14.9333 14.9333 14.9333 14.9333 15.6187 15.6187 15.6187 15.6187 16.7991 16.7991 k = 0.0000 0.5000 0.1489 ( 2582 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3185 -16.3185 -16.3185 -16.3185 -14.7247 -14.7247 -14.7247 -14.7247 -14.4312 -14.4312 -14.4312 -14.4312 -5.7721 -5.7721 -5.7721 -5.7721 -5.0348 -5.0348 -5.0348 -5.0348 6.6643 6.6643 6.6643 6.6643 7.4647 7.4647 7.4647 7.4647 8.0450 8.0450 8.0450 8.0450 8.9204 8.9204 8.9204 8.9204 9.0780 9.0780 9.0780 9.0780 10.1928 10.1928 10.1928 10.1928 14.9381 14.9381 14.9381 14.9381 15.5947 15.5947 15.5947 15.5947 16.7871 16.7871 k = 0.0000 0.5000 0.1604 ( 2578 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3192 -16.3192 -16.3192 -16.3192 -14.7260 -14.7260 -14.7260 -14.7260 -14.4285 -14.4285 -14.4285 -14.4285 -5.7836 -5.7836 -5.7836 -5.7836 -5.0238 -5.0238 -5.0238 -5.0238 6.6836 6.6836 6.6836 6.6836 7.4414 7.4414 7.4414 7.4414 8.0611 8.0611 8.0611 8.0611 8.9553 8.9553 8.9553 8.9553 9.0603 9.0603 9.0603 9.0603 10.1590 10.1590 10.1590 10.1590 14.9429 14.9429 14.9429 14.9429 15.5702 15.5702 15.5702 15.5702 16.7757 16.7757 k = 0.0000 0.5000 0.1718 ( 2580 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3199 -16.3199 -16.3199 -16.3199 -14.7274 -14.7274 -14.7274 -14.7274 -14.4259 -14.4259 -14.4259 -14.4259 -5.7950 -5.7950 -5.7950 -5.7950 -5.0130 -5.0130 -5.0130 -5.0130 6.7035 6.7035 6.7035 6.7035 7.4188 7.4188 7.4188 7.4188 8.0779 8.0779 8.0779 8.0779 8.9883 8.9883 8.9883 8.9883 9.0435 9.0435 9.0435 9.0435 10.1245 10.1245 10.1245 10.1245 14.9476 14.9476 14.9476 14.9476 15.5454 15.5454 15.5454 15.5454 16.7649 16.7649 k = 0.0000 0.5000 0.1833 ( 2576 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3206 -16.3206 -16.3206 -16.3206 -14.7287 -14.7287 -14.7287 -14.7287 -14.4232 -14.4232 -14.4232 -14.4232 -5.8061 -5.8061 -5.8061 -5.8061 -5.0025 -5.0025 -5.0025 -5.0025 6.7239 6.7239 6.7239 6.7239 7.3972 7.3972 7.3972 7.3972 8.0950 8.0950 8.0950 8.0950 9.0085 9.0085 9.0085 9.0085 9.0383 9.0383 9.0383 9.0383 10.0896 10.0896 10.0896 10.0896 14.9523 14.9523 14.9523 14.9523 15.5207 15.5207 15.5207 15.5207 16.7549 16.7549 k = 0.0000 0.5000 0.1948 ( 2580 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3213 -16.3213 -16.3213 -16.3213 -14.7300 -14.7300 -14.7300 -14.7300 -14.4206 -14.4206 -14.4206 -14.4206 -5.8167 -5.8167 -5.8167 -5.8167 -4.9924 -4.9924 -4.9924 -4.9924 6.7444 6.7444 6.7444 6.7444 7.3765 7.3765 7.3765 7.3765 8.1125 8.1125 8.1125 8.1125 8.9972 8.9972 8.9972 8.9972 9.0634 9.0634 9.0634 9.0634 10.0548 10.0548 10.0548 10.0548 14.9567 14.9567 14.9567 14.9567 15.4963 15.4963 15.4963 15.4963 16.7457 16.7457 k = 0.0000 0.5000 0.2062 ( 2578 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3220 -16.3220 -16.3220 -16.3220 -14.7312 -14.7312 -14.7312 -14.7312 -14.4181 -14.4181 -14.4181 -14.4181 -5.8269 -5.8269 -5.8269 -5.8269 -4.9828 -4.9828 -4.9828 -4.9828 6.7648 6.7648 6.7648 6.7648 7.3570 7.3570 7.3570 7.3570 8.1300 8.1300 8.1300 8.1300 8.9792 8.9792 8.9792 8.9792 9.0938 9.0938 9.0938 9.0938 10.0203 10.0203 10.0203 10.0203 14.9610 14.9610 14.9610 14.9610 15.4724 15.4724 15.4724 15.4724 16.7374 16.7374 k = 0.0000 0.5000 0.2177 ( 2564 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3226 -16.3226 -16.3226 -16.3226 -14.7324 -14.7324 -14.7324 -14.7324 -14.4157 -14.4157 -14.4157 -14.4157 -5.8365 -5.8365 -5.8365 -5.8365 -4.9737 -4.9737 -4.9737 -4.9737 6.7850 6.7850 6.7850 6.7850 7.3387 7.3387 7.3387 7.3387 8.1474 8.1474 8.1474 8.1474 8.9605 8.9605 8.9605 8.9605 9.1235 9.1235 9.1235 9.1235 9.9865 9.9865 9.9865 9.9865 14.9650 14.9650 14.9650 14.9650 15.4493 15.4493 15.4493 15.4493 16.7299 16.7299 k = 0.0000 0.5000 0.2291 ( 2558 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3232 -16.3232 -16.3232 -16.3232 -14.7335 -14.7335 -14.7335 -14.7335 -14.4134 -14.4134 -14.4134 -14.4134 -5.8456 -5.8456 -5.8456 -5.8456 -4.9652 -4.9652 -4.9652 -4.9652 6.8047 6.8047 6.8047 6.8047 7.3218 7.3218 7.3218 7.3218 8.1645 8.1645 8.1645 8.1645 8.9421 8.9421 8.9421 8.9421 9.1518 9.1518 9.1518 9.1518 9.9539 9.9539 9.9539 9.9539 14.9688 14.9688 14.9688 14.9688 15.4273 15.4273 15.4273 15.4273 16.7233 16.7233 k = 0.0000 0.5000 0.2406 ( 2560 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3238 -16.3238 -16.3238 -16.3238 -14.7346 -14.7346 -14.7346 -14.7346 -14.4112 -14.4112 -14.4112 -14.4112 -5.8539 -5.8539 -5.8539 -5.8539 -4.9573 -4.9573 -4.9573 -4.9573 6.8237 6.8237 6.8237 6.8237 7.3063 7.3063 7.3063 7.3063 8.1810 8.1810 8.1810 8.1810 8.9243 8.9243 8.9243 8.9243 9.1781 9.1781 9.1781 9.1781 9.9227 9.9227 9.9227 9.9227 14.9722 14.9722 14.9722 14.9722 15.4066 15.4066 15.4066 15.4066 16.7176 16.7176 k = 0.0000 0.5000 0.2520 ( 2568 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3244 -16.3244 -16.3244 -16.3244 -14.7355 -14.7355 -14.7355 -14.7355 -14.4093 -14.4093 -14.4093 -14.4093 -5.8615 -5.8615 -5.8615 -5.8615 -4.9502 -4.9502 -4.9502 -4.9502 6.8416 6.8416 6.8416 6.8416 7.2922 7.2922 7.2922 7.2922 8.1968 8.1968 8.1968 8.1968 8.9074 8.9074 8.9074 8.9074 9.2022 9.2022 9.2022 9.2022 9.8935 9.8935 9.8935 9.8935 14.9753 14.9753 14.9753 14.9753 15.3874 15.3874 15.3874 15.3874 16.7126 16.7126 k = 0.0000 0.5000 0.2635 ( 2572 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3249 -16.3249 -16.3249 -16.3249 -14.7363 -14.7363 -14.7363 -14.7363 -14.4075 -14.4075 -14.4075 -14.4075 -5.8683 -5.8683 -5.8683 -5.8683 -4.9438 -4.9438 -4.9438 -4.9438 6.8581 6.8581 6.8581 6.8581 7.2797 7.2797 7.2797 7.2797 8.2115 8.2115 8.2115 8.2115 8.8917 8.8917 8.8917 8.8917 9.2240 9.2240 9.2240 9.2240 9.8666 9.8666 9.8666 9.8666 14.9780 14.9780 14.9780 14.9780 15.3700 15.3700 15.3700 15.3700 16.7084 16.7084 k = 0.0000 0.5000 0.2750 ( 2576 PWs) bands (ev): -36.9733 -36.9733 -36.9733 -36.9733 -16.3253 -16.3253 -16.3253 -16.3253 -14.7371 -14.7371 -14.7371 -14.7371 -14.4059 -14.4059 -14.4059 -14.4059 -5.8742 -5.8742 -5.8742 -5.8742 -4.9382 -4.9382 -4.9382 -4.9382 6.8732 6.8732 6.8732 6.8732 7.2688 7.2688 7.2688 7.2688 8.2249 8.2249 8.2249 8.2249 8.8775 8.8775 8.8775 8.8775 9.2432 9.2432 9.2432 9.2432 9.8423 9.8423 9.8423 9.8423 14.9804 14.9804 14.9804 14.9804 15.3545 15.3545 15.3545 15.3545 16.7049 16.7049 k = 0.0000 0.5000 0.2864 ( 2588 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3257 -16.3257 -16.3257 -16.3257 -14.7377 -14.7377 -14.7377 -14.7377 -14.4046 -14.4046 -14.4046 -14.4046 -5.8793 -5.8793 -5.8793 -5.8793 -4.9334 -4.9334 -4.9334 -4.9334 6.8864 6.8864 6.8864 6.8864 7.2594 7.2594 7.2594 7.2594 8.2367 8.2367 8.2367 8.2367 8.8650 8.8650 8.8650 8.8650 9.2597 9.2597 9.2597 9.2597 9.8210 9.8210 9.8210 9.8210 14.9824 14.9824 14.9824 14.9824 15.3410 15.3410 15.3410 15.3410 16.7021 16.7021 k = 0.0000 0.5000 0.2979 ( 2588 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3260 -16.3260 -16.3260 -16.3260 -14.7383 -14.7383 -14.7383 -14.7383 -14.4034 -14.4034 -14.4034 -14.4034 -5.8836 -5.8836 -5.8836 -5.8836 -4.9295 -4.9295 -4.9295 -4.9295 6.8975 6.8975 6.8975 6.8975 7.2518 7.2518 7.2518 7.2518 8.2468 8.2468 8.2468 8.2468 8.8544 8.8544 8.8544 8.8544 9.2734 9.2734 9.2734 9.2734 9.8031 9.8031 9.8031 9.8031 14.9840 14.9840 14.9840 14.9840 15.3298 15.3298 15.3298 15.3298 16.6999 16.6999 k = 0.0000 0.5000 0.3093 ( 2590 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3263 -16.3263 -16.3263 -16.3263 -14.7387 -14.7387 -14.7387 -14.7387 -14.4025 -14.4025 -14.4025 -14.4025 -5.8869 -5.8869 -5.8869 -5.8869 -4.9264 -4.9264 -4.9264 -4.9264 6.9064 6.9064 6.9064 6.9064 7.2458 7.2458 7.2458 7.2458 8.2549 8.2549 8.2549 8.2549 8.8460 8.8460 8.8460 8.8460 9.2842 9.2842 9.2842 9.2842 9.7889 9.7889 9.7889 9.7889 14.9853 14.9853 14.9853 14.9853 15.3210 15.3210 15.3210 15.3210 16.6982 16.6982 k = 0.0000 0.5000 0.3208 ( 2598 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3264 -16.3264 -16.3264 -16.3264 -14.7390 -14.7390 -14.7390 -14.7390 -14.4019 -14.4019 -14.4019 -14.4019 -5.8893 -5.8893 -5.8893 -5.8893 -4.9242 -4.9242 -4.9242 -4.9242 6.9129 6.9129 6.9129 6.9129 7.2415 7.2415 7.2415 7.2415 8.2608 8.2608 8.2608 8.2608 8.8399 8.8399 8.8399 8.8399 9.2919 9.2919 9.2919 9.2919 9.7785 9.7785 9.7785 9.7785 14.9862 14.9862 14.9862 14.9862 15.3146 15.3146 15.3146 15.3146 16.6970 16.6970 k = 0.0000 0.5000 0.3322 ( 2598 PWs) bands (ev): -36.9734 -36.9734 -36.9734 -36.9734 -16.3266 -16.3266 -16.3266 -16.3266 -14.7392 -14.7392 -14.7392 -14.7392 -14.4015 -14.4015 -14.4015 -14.4015 -5.8907 -5.8907 -5.8907 -5.8907 -4.9228 -4.9228 -4.9228 -4.9228 6.9169 6.9169 6.9169 6.9169 7.2389 7.2389 7.2389 7.2389 8.2644 8.2644 8.2644 8.2644 8.8361 8.8361 8.8361 8.8361 9.2966 9.2966 9.2966 9.2966 9.7722 9.7722 9.7722 9.7722 14.9868 14.9868 14.9868 14.9868 15.3108 15.3108 15.3108 15.3108 16.6963 16.6963 k = 0.0000 0.5000 0.3437 ( 2600 PWs) bands (ev): -36.9735 -36.9735 -36.9735 -36.9735 -16.3266 -16.3266 -16.3266 -16.3266 -14.7392 -14.7392 -14.7392 -14.7392 -14.4014 -14.4014 -14.4014 -14.4014 -5.8912 -5.8912 -5.8912 -5.8912 -4.9224 -4.9224 -4.9224 -4.9224 6.9182 6.9182 6.9182 6.9182 7.2381 7.2381 7.2381 7.2381 8.2656 8.2656 8.2656 8.2656 8.8349 8.8349 8.8349 8.8349 9.2981 9.2981 9.2981 9.2981 9.7701 9.7701 9.7701 9.7701 14.9869 14.9869 14.9869 14.9869 15.3095 15.3095 15.3095 15.3095 16.6961 16.6961 k = 0.5000 0.5000-0.0000 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3954 -16.3954 -16.3954 -16.3954 -14.8284 -14.8284 -14.8284 -14.8284 -14.5246 -14.5246 -14.5246 -14.5246 -5.4322 -5.4322 -5.4322 -5.4322 -4.9222 -4.9222 -4.9222 -4.9222 5.6202 5.6202 5.6202 5.6202 7.9174 7.9174 7.9174 7.9174 8.0571 8.0571 8.0571 8.0571 9.5258 9.5258 9.5258 9.5258 9.8019 9.8019 9.8019 9.8019 10.0925 10.0925 10.0925 10.0925 15.5156 15.5156 15.5156 15.5156 15.8970 15.8970 15.8970 15.8970 16.5224 16.5224 k = 0.5000 0.5000 0.0115 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3954 -16.3954 -16.3954 -16.3954 -14.8283 -14.8283 -14.8283 -14.8283 -14.5248 -14.5248 -14.5248 -14.5248 -5.4318 -5.4318 -5.4318 -5.4318 -4.9225 -4.9225 -4.9225 -4.9225 5.6215 5.6215 5.6215 5.6215 7.9161 7.9161 7.9161 7.9161 8.0578 8.0578 8.0578 8.0578 9.5231 9.5231 9.5231 9.5231 9.8005 9.8005 9.8005 9.8005 10.0949 10.0949 10.0949 10.0949 15.5157 15.5157 15.5157 15.5157 15.8976 15.8976 15.8976 15.8976 16.5225 16.5225 k = 0.5000 0.5000 0.0229 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3953 -16.3953 -16.3953 -16.3953 -14.8281 -14.8281 -14.8281 -14.8281 -14.5252 -14.5252 -14.5252 -14.5252 -5.4307 -5.4307 -5.4307 -5.4307 -4.9234 -4.9234 -4.9234 -4.9234 5.6254 5.6254 5.6254 5.6254 7.9120 7.9120 7.9120 7.9120 8.0602 8.0602 8.0602 8.0602 9.5154 9.5154 9.5154 9.5154 9.7962 9.7962 9.7962 9.7962 10.1018 10.1018 10.1018 10.1018 15.5160 15.5160 15.5160 15.5160 15.8992 15.8992 15.8992 15.8992 16.5231 16.5231 k = 0.5000 0.5000 0.0344 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3951 -16.3951 -16.3951 -16.3951 -14.8278 -14.8278 -14.8278 -14.8278 -14.5258 -14.5258 -14.5258 -14.5258 -5.4290 -5.4290 -5.4290 -5.4290 -4.9250 -4.9250 -4.9250 -4.9250 5.6320 5.6320 5.6320 5.6320 7.9051 7.9051 7.9051 7.9051 8.0642 8.0642 8.0642 8.0642 9.5032 9.5032 9.5032 9.5032 9.7890 9.7890 9.7890 9.7890 10.1129 10.1129 10.1129 10.1129 15.5165 15.5165 15.5165 15.5165 15.9018 15.9018 15.9018 15.9018 16.5239 16.5239 k = 0.5000 0.5000 0.0458 ( 2588 PWs) bands (ev): -36.9597 -36.9597 -36.9597 -36.9597 -16.3949 -16.3949 -16.3949 -16.3949 -14.8273 -14.8273 -14.8273 -14.8273 -14.5267 -14.5267 -14.5267 -14.5267 -5.4265 -5.4265 -5.4265 -5.4265 -4.9271 -4.9271 -4.9271 -4.9271 5.6412 5.6412 5.6412 5.6412 7.8952 7.8952 7.8952 7.8952 8.0701 8.0701 8.0701 8.0701 9.4870 9.4870 9.4870 9.4870 9.7790 9.7790 9.7790 9.7790 10.1273 10.1273 10.1273 10.1273 15.5172 15.5172 15.5172 15.5172 15.9055 15.9055 15.9055 15.9055 16.5251 16.5251 k = 0.5000 0.5000 0.0573 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3946 -16.3946 -16.3946 -16.3946 -14.8267 -14.8267 -14.8267 -14.8267 -14.5279 -14.5279 -14.5279 -14.5279 -5.4233 -5.4233 -5.4233 -5.4233 -4.9299 -4.9299 -4.9299 -4.9299 5.6529 5.6529 5.6529 5.6529 7.8821 7.8821 7.8821 7.8821 8.0780 8.0780 8.0780 8.0780 9.4679 9.4679 9.4679 9.4679 9.7662 9.7662 9.7662 9.7662 10.1445 10.1445 10.1445 10.1445 15.5181 15.5181 15.5181 15.5181 15.9101 15.9101 15.9101 15.9101 16.5267 16.5267 k = 0.5000 0.5000 0.0687 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3943 -16.3943 -16.3943 -16.3943 -14.8260 -14.8260 -14.8260 -14.8260 -14.5293 -14.5293 -14.5293 -14.5293 -5.4194 -5.4194 -5.4194 -5.4194 -4.9333 -4.9333 -4.9333 -4.9333 5.6672 5.6672 5.6672 5.6672 7.8657 7.8657 7.8657 7.8657 8.0879 8.0879 8.0879 8.0879 9.4465 9.4465 9.4465 9.4465 9.7508 9.7508 9.7508 9.7508 10.1636 10.1636 10.1636 10.1636 15.5192 15.5192 15.5192 15.5192 15.9157 15.9157 15.9157 15.9157 16.5286 16.5286 k = 0.5000 0.5000 0.0802 ( 2572 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3939 -16.3939 -16.3939 -16.3939 -14.8252 -14.8252 -14.8252 -14.8252 -14.5310 -14.5310 -14.5310 -14.5310 -5.4149 -5.4149 -5.4149 -5.4149 -4.9373 -4.9373 -4.9373 -4.9373 5.6841 5.6841 5.6841 5.6841 7.8460 7.8460 7.8460 7.8460 8.0999 8.0999 8.0999 8.0999 9.4236 9.4236 9.4236 9.4236 9.7326 9.7326 9.7326 9.7326 10.1840 10.1840 10.1840 10.1840 15.5204 15.5204 15.5204 15.5204 15.9223 15.9223 15.9223 15.9223 16.5309 16.5309 k = 0.5000 0.5000 0.0917 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3935 -16.3935 -16.3935 -16.3935 -14.8243 -14.8243 -14.8243 -14.8243 -14.5328 -14.5328 -14.5328 -14.5328 -5.4097 -5.4097 -5.4097 -5.4097 -4.9418 -4.9418 -4.9418 -4.9418 5.7035 5.7035 5.7035 5.7035 7.8229 7.8229 7.8229 7.8229 8.1141 8.1141 8.1141 8.1141 9.3999 9.3999 9.3999 9.3999 9.7120 9.7120 9.7120 9.7120 10.2053 10.2053 10.2053 10.2053 15.5216 15.5216 15.5216 15.5216 15.9296 15.9296 15.9296 15.9296 16.5335 16.5335 k = 0.5000 0.5000 0.1031 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3930 -16.3930 -16.3930 -16.3930 -14.8232 -14.8232 -14.8232 -14.8232 -14.5349 -14.5349 -14.5349 -14.5349 -5.4039 -5.4039 -5.4039 -5.4039 -4.9470 -4.9470 -4.9470 -4.9470 5.7254 5.7254 5.7254 5.7254 7.7964 7.7964 7.7964 7.7964 8.1303 8.1303 8.1303 8.1303 9.3758 9.3758 9.3758 9.3758 9.6888 9.6888 9.6888 9.6888 10.2268 10.2268 10.2268 10.2268 15.5230 15.5230 15.5230 15.5230 15.9377 15.9377 15.9377 15.9377 16.5365 16.5365 k = 0.5000 0.5000 0.1146 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3925 -16.3925 -16.3925 -16.3925 -14.8221 -14.8221 -14.8221 -14.8221 -14.5372 -14.5372 -14.5372 -14.5372 -5.3975 -5.3975 -5.3975 -5.3975 -4.9527 -4.9527 -4.9527 -4.9527 5.7497 5.7497 5.7497 5.7497 7.7666 7.7666 7.7666 7.7666 8.1486 8.1486 8.1486 8.1486 9.3520 9.3520 9.3520 9.3520 9.6633 9.6633 9.6633 9.6633 10.2483 10.2483 10.2483 10.2483 15.5244 15.5244 15.5244 15.5244 15.9466 15.9466 15.9466 15.9466 16.5399 16.5399 k = 0.5000 0.5000 0.1260 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3920 -16.3920 -16.3920 -16.3920 -14.8208 -14.8208 -14.8208 -14.8208 -14.5396 -14.5396 -14.5396 -14.5396 -5.3904 -5.3904 -5.3904 -5.3904 -4.9589 -4.9589 -4.9589 -4.9589 5.7764 5.7764 5.7764 5.7764 7.7336 7.7336 7.7336 7.7336 8.1688 8.1688 8.1688 8.1688 9.3286 9.3286 9.3286 9.3286 9.6354 9.6354 9.6354 9.6354 10.2695 10.2695 10.2695 10.2695 15.5258 15.5258 15.5258 15.5258 15.9560 15.9560 15.9560 15.9560 16.5437 16.5437 k = 0.5000 0.5000 0.1375 ( 2564 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3914 -16.3914 -16.3914 -16.3914 -14.8195 -14.8195 -14.8195 -14.8195 -14.5421 -14.5421 -14.5421 -14.5421 -5.3829 -5.3829 -5.3829 -5.3829 -4.9656 -4.9656 -4.9656 -4.9656 5.8054 5.8054 5.8054 5.8054 7.6975 7.6975 7.6975 7.6975 8.1910 8.1910 8.1910 8.1910 9.3061 9.3061 9.3061 9.3061 9.6055 9.6055 9.6055 9.6055 10.2901 10.2901 10.2901 10.2901 15.5273 15.5273 15.5273 15.5273 15.9658 15.9658 15.9658 15.9658 16.5478 16.5478 k = 0.5000 0.5000 0.1489 ( 2564 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3908 -16.3908 -16.3908 -16.3908 -14.8181 -14.8181 -14.8181 -14.8181 -14.5448 -14.5448 -14.5448 -14.5448 -5.3748 -5.3748 -5.3748 -5.3748 -4.9729 -4.9729 -4.9729 -4.9729 5.8367 5.8367 5.8367 5.8367 7.6584 7.6584 7.6584 7.6584 8.2150 8.2150 8.2150 8.2150 9.2846 9.2846 9.2846 9.2846 9.5735 9.5735 9.5735 9.5735 10.3100 10.3100 10.3100 10.3100 15.5287 15.5287 15.5287 15.5287 15.9761 15.9761 15.9761 15.9761 16.5524 16.5524 k = 0.5000 0.5000 0.1604 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3902 -16.3902 -16.3902 -16.3902 -14.8166 -14.8166 -14.8166 -14.8166 -14.5475 -14.5475 -14.5475 -14.5475 -5.3662 -5.3662 -5.3662 -5.3662 -4.9806 -4.9806 -4.9806 -4.9806 5.8703 5.8703 5.8703 5.8703 7.6165 7.6165 7.6165 7.6165 8.2409 8.2409 8.2409 8.2409 9.2644 9.2644 9.2644 9.2644 9.5396 9.5396 9.5396 9.5396 10.3289 10.3289 10.3289 10.3289 15.5302 15.5302 15.5302 15.5302 15.9867 15.9867 15.9867 15.9867 16.5574 16.5574 k = 0.5000 0.5000 0.1718 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3896 -16.3896 -16.3896 -16.3896 -14.8151 -14.8151 -14.8151 -14.8151 -14.5503 -14.5503 -14.5503 -14.5503 -5.3571 -5.3571 -5.3571 -5.3571 -4.9888 -4.9888 -4.9888 -4.9888 5.9059 5.9059 5.9059 5.9059 7.5720 7.5720 7.5720 7.5720 8.2685 8.2685 8.2685 8.2685 9.2454 9.2454 9.2454 9.2454 9.5039 9.5039 9.5039 9.5039 10.3469 10.3469 10.3469 10.3469 15.5316 15.5316 15.5316 15.5316 15.9974 15.9974 15.9974 15.9974 16.5627 16.5627 k = 0.5000 0.5000 0.1833 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3890 -16.3890 -16.3890 -16.3890 -14.8136 -14.8136 -14.8136 -14.8136 -14.5532 -14.5532 -14.5532 -14.5532 -5.3476 -5.3476 -5.3476 -5.3476 -4.9974 -4.9974 -4.9974 -4.9974 5.9437 5.9437 5.9437 5.9437 7.5251 7.5251 7.5251 7.5251 8.2979 8.2979 8.2979 8.2979 9.2279 9.2279 9.2279 9.2279 9.4666 9.4666 9.4666 9.4666 10.3639 10.3639 10.3639 10.3639 15.5330 15.5330 15.5330 15.5330 16.0081 16.0081 16.0081 16.0081 16.5685 16.5685 k = 0.5000 0.5000 0.1948 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3884 -16.3884 -16.3884 -16.3884 -14.8120 -14.8120 -14.8120 -14.8120 -14.5560 -14.5560 -14.5560 -14.5560 -5.3378 -5.3378 -5.3378 -5.3378 -5.0064 -5.0064 -5.0064 -5.0064 5.9834 5.9834 5.9834 5.9834 7.4760 7.4760 7.4760 7.4760 8.3288 8.3288 8.3288 8.3288 9.2117 9.2117 9.2117 9.2117 9.4278 9.4278 9.4278 9.4278 10.3797 10.3797 10.3797 10.3797 15.5343 15.5343 15.5343 15.5343 16.0188 16.0188 16.0188 16.0188 16.5747 16.5747 k = 0.5000 0.5000 0.2062 ( 2560 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3879 -16.3879 -16.3879 -16.3879 -14.8104 -14.8104 -14.8104 -14.8104 -14.5589 -14.5589 -14.5589 -14.5589 -5.3276 -5.3276 -5.3276 -5.3276 -5.0157 -5.0157 -5.0157 -5.0157 6.0249 6.0249 6.0249 6.0249 7.4249 7.4249 7.4249 7.4249 8.3614 8.3614 8.3614 8.3614 9.1970 9.1970 9.1970 9.1970 9.3877 9.3877 9.3877 9.3877 10.3944 10.3944 10.3944 10.3944 15.5355 15.5355 15.5355 15.5355 16.0292 16.0292 16.0292 16.0292 16.5814 16.5814 k = 0.5000 0.5000 0.2177 ( 2568 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3873 -16.3873 -16.3873 -16.3873 -14.8089 -14.8089 -14.8089 -14.8089 -14.5616 -14.5616 -14.5616 -14.5616 -5.3171 -5.3171 -5.3171 -5.3171 -5.0254 -5.0254 -5.0254 -5.0254 6.0682 6.0682 6.0682 6.0682 7.3723 7.3723 7.3723 7.3723 8.3954 8.3954 8.3954 8.3954 9.1836 9.1836 9.1836 9.1836 9.3463 9.3463 9.3463 9.3463 10.4079 10.4079 10.4079 10.4079 15.5367 15.5367 15.5367 15.5367 16.0393 16.0393 16.0393 16.0393 16.5884 16.5884 k = 0.5000 0.5000 0.2291 ( 2568 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3868 -16.3868 -16.3868 -16.3868 -14.8073 -14.8073 -14.8073 -14.8073 -14.5643 -14.5643 -14.5643 -14.5643 -5.3064 -5.3064 -5.3064 -5.3064 -5.0353 -5.0353 -5.0353 -5.0353 6.1130 6.1130 6.1130 6.1130 7.3183 7.3183 7.3183 7.3183 8.4309 8.4309 8.4309 8.4309 9.1715 9.1715 9.1715 9.1715 9.3040 9.3040 9.3040 9.3040 10.4202 10.4202 10.4202 10.4202 15.5378 15.5378 15.5378 15.5378 16.0490 16.0490 16.0490 16.0490 16.5959 16.5959 k = 0.5000 0.5000 0.2406 ( 2568 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3862 -16.3862 -16.3862 -16.3862 -14.8059 -14.8059 -14.8059 -14.8059 -14.5669 -14.5669 -14.5669 -14.5669 -5.2956 -5.2956 -5.2956 -5.2956 -5.0454 -5.0454 -5.0454 -5.0454 6.1592 6.1592 6.1592 6.1592 7.2633 7.2633 7.2633 7.2633 8.4678 8.4678 8.4678 8.4678 9.1607 9.1607 9.1607 9.1607 9.2609 9.2609 9.2609 9.2609 10.4313 10.4313 10.4313 10.4313 15.5388 15.5388 15.5388 15.5388 16.0581 16.0581 16.0581 16.0581 16.6037 16.6037 k = 0.5000 0.5000 0.2520 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3858 -16.3858 -16.3858 -16.3858 -14.8045 -14.8045 -14.8045 -14.8045 -14.5693 -14.5693 -14.5693 -14.5693 -5.2847 -5.2847 -5.2847 -5.2847 -5.0556 -5.0556 -5.0556 -5.0556 6.2065 6.2065 6.2065 6.2065 7.2077 7.2077 7.2077 7.2077 8.5059 8.5059 8.5059 8.5059 9.1508 9.1508 9.1508 9.1508 9.2173 9.2173 9.2173 9.2173 10.4412 10.4412 10.4412 10.4412 15.5397 15.5397 15.5397 15.5397 16.0666 16.0666 16.0666 16.0666 16.6120 16.6120 k = 0.5000 0.5000 0.2635 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3853 -16.3853 -16.3853 -16.3853 -14.8032 -14.8032 -14.8032 -14.8032 -14.5715 -14.5715 -14.5715 -14.5715 -5.2739 -5.2739 -5.2739 -5.2739 -5.0658 -5.0658 -5.0658 -5.0658 6.2546 6.2546 6.2546 6.2546 7.1519 7.1519 7.1519 7.1519 8.5452 8.5452 8.5452 8.5452 9.1407 9.1407 9.1407 9.1407 9.1747 9.1747 9.1747 9.1747 10.4499 10.4499 10.4499 10.4499 15.5405 15.5405 15.5405 15.5405 16.0743 16.0743 16.0743 16.0743 16.6206 16.6206 k = 0.5000 0.5000 0.2750 ( 2580 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3850 -16.3850 -16.3850 -16.3850 -14.8021 -14.8021 -14.8021 -14.8021 -14.5735 -14.5735 -14.5735 -14.5735 -5.2633 -5.2633 -5.2633 -5.2633 -5.0758 -5.0758 -5.0758 -5.0758 6.3031 6.3031 6.3031 6.3031 7.0966 7.0966 7.0966 7.0966 8.5856 8.5856 8.5856 8.5856 9.1189 9.1189 9.1189 9.1189 9.1443 9.1443 9.1443 9.1443 10.4574 10.4574 10.4574 10.4574 15.5412 15.5412 15.5412 15.5412 16.0811 16.0811 16.0811 16.0811 16.6295 16.6295 k = 0.5000 0.5000 0.2864 ( 2572 PWs) bands (ev): -36.9596 -36.9596 -36.9596 -36.9596 -16.3846 -16.3846 -16.3846 -16.3846 -14.8010 -14.8010 -14.8010 -14.8010 -14.5752 -14.5752 -14.5752 -14.5752 -5.2531 -5.2531 -5.2531 -5.2531 -5.0855 -5.0855 -5.0855 -5.0855 6.3513 6.3513 6.3513 6.3513 7.0424 7.0424 7.0424 7.0424 8.6269 8.6269 8.6269 8.6269 9.0776 9.0776 9.0776 9.0776 9.1345 9.1345 9.1345 9.1345 10.4638 10.4638 10.4638 10.4638 15.5419 15.5419 15.5419 15.5419 16.0871 16.0871 16.0871 16.0871 16.6387 16.6387 k = 0.5000 0.5000 0.2979 ( 2564 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3843 -16.3843 -16.3843 -16.3843 -14.8002 -14.8002 -14.8002 -14.8002 -14.5767 -14.5767 -14.5767 -14.5767 -5.2436 -5.2436 -5.2436 -5.2436 -5.0946 -5.0946 -5.0946 -5.0946 6.3981 6.3981 6.3981 6.3981 6.9906 6.9906 6.9906 6.9906 8.6691 8.6691 8.6691 8.6691 9.0328 9.0328 9.0328 9.0328 9.1290 9.1290 9.1290 9.1290 10.4690 10.4690 10.4690 10.4690 15.5424 15.5424 15.5424 15.5424 16.0920 16.0920 16.0920 16.0920 16.6479 16.6479 k = 0.5000 0.5000 0.3093 ( 2556 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3841 -16.3841 -16.3841 -16.3841 -14.7995 -14.7995 -14.7995 -14.7995 -14.5778 -14.5778 -14.5778 -14.5778 -5.2352 -5.2352 -5.2352 -5.2352 -5.1028 -5.1028 -5.1028 -5.1028 6.4418 6.4418 6.4418 6.4418 6.9429 6.9429 6.9429 6.9429 8.7119 8.7119 8.7119 8.7119 8.9876 8.9876 8.9876 8.9876 9.1251 9.1251 9.1251 9.1251 10.4730 10.4730 10.4730 10.4730 15.5428 15.5428 15.5428 15.5428 16.0959 16.0959 16.0959 16.0959 16.6570 16.6570 k = 0.5000 0.5000 0.3208 ( 2556 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3840 -16.3840 -16.3840 -16.3840 -14.7990 -14.7990 -14.7990 -14.7990 -14.5787 -14.5787 -14.5787 -14.5787 -5.2284 -5.2284 -5.2284 -5.2284 -5.1093 -5.1093 -5.1093 -5.1093 6.4793 6.4793 6.4793 6.4793 6.9025 6.9025 6.9025 6.9025 8.7548 8.7548 8.7548 8.7548 8.9428 8.9428 8.9428 8.9428 9.1224 9.1224 9.1224 9.1224 10.4759 10.4759 10.4759 10.4759 15.5431 15.5431 15.5431 15.5431 16.0988 16.0988 16.0988 16.0988 16.6653 16.6653 k = 0.5000 0.5000 0.3322 ( 2548 PWs) bands (ev): -36.9595 -36.9595 -36.9595 -36.9595 -16.3839 -16.3839 -16.3839 -16.3839 -14.7987 -14.7987 -14.7987 -14.7987 -14.5792 -14.5792 -14.5792 -14.5792 -5.2239 -5.2239 -5.2239 -5.2239 -5.1137 -5.1137 -5.1137 -5.1137 6.5060 6.5060 6.5060 6.5060 6.8740 6.8740 6.8740 6.8740 8.7965 8.7965 8.7965 8.7965 8.9001 8.9001 8.9001 8.9001 9.1209 9.1209 9.1209 9.1209 10.4776 10.4776 10.4776 10.4776 15.5432 15.5432 15.5432 15.5432 16.1005 16.1005 16.1005 16.1005 16.6716 16.6716 k = 0.5000 0.5000 0.3437 ( 2536 PWs) bands (ev): -36.9594 -36.9594 -36.9594 -36.9594 -16.3838 -16.3838 -16.3838 -16.3838 -14.7985 -14.7985 -14.7985 -14.7985 -14.5793 -14.5793 -14.5793 -14.5793 -5.2223 -5.2223 -5.2223 -5.2223 -5.1152 -5.1152 -5.1152 -5.1152 6.5159 6.5159 6.5159 6.5159 6.8636 6.8636 6.8636 6.8636 8.8231 8.8231 8.8231 8.8231 8.8732 8.8732 8.8732 8.8732 9.1204 9.1204 9.1204 9.1204 10.4782 10.4782 10.4782 10.4782 15.5433 15.5433 15.5433 15.5433 16.1011 16.1011 16.1011 16.1011 16.6742 16.6742 Writing output data file ZrO2.save init_run : 3.62s CPU 13.16s WALL ( 1 calls) electrons : 994.52s CPU 1003.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 994.46s CPU 1003.52s WALL ( 1 calls) v_of_rho : 0.24s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.23s CPU 0.57s WALL ( 1 calls) newd : 0.45s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 397 calls) cegterg : 961.77s CPU 968.01s WALL ( 1297 calls) Called by sum_band: Called by *egterg: h_psi : 250.49s CPU 263.21s WALL ( 25133 calls) s_psi : 34.32s CPU 35.16s WALL ( 25133 calls) g_psi : 0.75s CPU 0.80s WALL ( 23439 calls) cdiaghg : 526.98s CPU 521.81s WALL ( 23836 calls) cegterg:over : 80.55s CPU 75.95s WALL ( 23439 calls) cegterg:upda : 13.12s CPU 18.62s WALL ( 23439 calls) cegterg:last : 11.45s CPU 12.45s WALL ( 2918 calls) Called by h_psi: h_psi:vloc : 175.09s CPU 186.19s WALL ( 25133 calls) h_psi:vnl : 75.05s CPU 76.11s WALL ( 25133 calls) add_vuspsi : 23.03s CPU 28.25s WALL ( 25133 calls) General routines calbec : 51.96s CPU 47.70s WALL ( 25133 calls) fft : 0.18s CPU 1.23s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 165.90s CPU 173.67s WALL ( 2045892 calls) interpolate : 0.06s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 3.48s WALL ( 794 calls) Parallel routines fft_scatter : 133.98s CPU 136.99s WALL ( 2045915 calls) PWSCF : 17m28.14s CPU 18m36.48s WALL This run was terminated on: 23: 3:42 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=