Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:43: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Mg3Sb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 33 9 3128 1483 229 Max 55 34 10 3137 1508 234 Sum 1969 1201 349 112717 53791 8303 bravais-lattice index = 14 lattice parameter (alat) = 8.6153 a.u. unit-cell volume = 879.8017 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.615261 celldm(2)= 1.000000 celldm(3)= 1.588726 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.588726 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.629435 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0034130 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034130 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0034130 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0034130 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0034130 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0034130 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0034130 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0034130 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034130 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0034130 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0034130 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034130 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034130 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0034130 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0034130 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0034130 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034130 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0034130 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0034130 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034130 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0034130 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0034130 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0034130 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034130 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034130 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034130 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034130 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034130 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034130 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034130 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034130 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034130 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034130 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034130 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034130 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034130 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034130 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034130 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034130 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034130 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0034130 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0034130 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0034130 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0034130 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0034130 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0034130 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0034130 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0034130 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0034130 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0034130 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0034130 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0034130 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0034130 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0034130 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0034130 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0034130 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0034130 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0034130 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0034130 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0034130 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0034130 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034130 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0034130 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0034130 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0034130 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0034130 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0034130 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0034130 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0034130 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0034130 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0034130 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0034130 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0034130 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0034130 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0034130 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0034130 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0034130 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0034130 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0034130 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0034130 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0034130 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0034130 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0034130 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.0143053), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.0286107), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.0429160), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.0572214), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.0715267), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.0858321), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.1001374), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.1144428), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.1287481), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.1430535), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.1573588), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.1716642), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.1859695), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.2002749), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.2145802), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.2288856), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.2431909), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.2574963), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.2718016), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.2861070), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.3004123), wk = 0.0034130 k( 135) = ( 0.0000000 0.0000000 0.3147177), wk = 0.0034130 k( 136) = ( 0.0000000 0.0000000 0.3147177), wk = 0.0034130 k( 137) = ( 0.0125000 0.0072169 0.3147177), wk = 0.0034130 k( 138) = ( 0.0250000 0.0144338 0.3147177), wk = 0.0034130 k( 139) = ( 0.0375000 0.0216506 0.3147177), wk = 0.0034130 k( 140) = ( 0.0500000 0.0288675 0.3147177), wk = 0.0034130 k( 141) = ( 0.0625000 0.0360844 0.3147177), wk = 0.0034130 k( 142) = ( 0.0750000 0.0433013 0.3147177), wk = 0.0034130 k( 143) = ( 0.0875000 0.0505181 0.3147177), wk = 0.0034130 k( 144) = ( 0.1000000 0.0577350 0.3147177), wk = 0.0034130 k( 145) = ( 0.1125000 0.0649519 0.3147177), wk = 0.0034130 k( 146) = ( 0.1250000 0.0721688 0.3147177), wk = 0.0034130 k( 147) = ( 0.1375000 0.0793857 0.3147177), wk = 0.0034130 k( 148) = ( 0.1500000 0.0866025 0.3147177), wk = 0.0034130 k( 149) = ( 0.1625000 0.0938194 0.3147177), wk = 0.0034130 k( 150) = ( 0.1750000 0.1010363 0.3147177), wk = 0.0034130 k( 151) = ( 0.1875000 0.1082532 0.3147177), wk = 0.0034130 k( 152) = ( 0.2000000 0.1154701 0.3147177), wk = 0.0034130 k( 153) = ( 0.2125000 0.1226869 0.3147177), wk = 0.0034130 k( 154) = ( 0.2250000 0.1299038 0.3147177), wk = 0.0034130 k( 155) = ( 0.2375000 0.1371207 0.3147177), wk = 0.0034130 k( 156) = ( 0.2500000 0.1443376 0.3147177), wk = 0.0034130 k( 157) = ( 0.2625000 0.1515544 0.3147177), wk = 0.0034130 k( 158) = ( 0.2750000 0.1587713 0.3147177), wk = 0.0034130 k( 159) = ( 0.2875000 0.1659882 0.3147177), wk = 0.0034130 k( 160) = ( 0.3000000 0.1732051 0.3147177), wk = 0.0034130 k( 161) = ( 0.3125000 0.1804220 0.3147177), wk = 0.0034130 k( 162) = ( 0.3250000 0.1876388 0.3147177), wk = 0.0034130 k( 163) = ( 0.3375000 0.1948557 0.3147177), wk = 0.0034130 k( 164) = ( 0.3500000 0.2020726 0.3147177), wk = 0.0034130 k( 165) = ( 0.3625000 0.2092895 0.3147177), wk = 0.0034130 k( 166) = ( 0.3750000 0.2165064 0.3147177), wk = 0.0034130 k( 167) = ( 0.3875000 0.2237232 0.3147177), wk = 0.0034130 k( 168) = ( 0.4000000 0.2309401 0.3147177), wk = 0.0034130 k( 169) = ( 0.4125000 0.2381570 0.3147177), wk = 0.0034130 k( 170) = ( 0.4250000 0.2453739 0.3147177), wk = 0.0034130 k( 171) = ( 0.4375000 0.2525907 0.3147177), wk = 0.0034130 k( 172) = ( 0.4500000 0.2598076 0.3147177), wk = 0.0034130 k( 173) = ( 0.4625000 0.2670245 0.3147177), wk = 0.0034130 k( 174) = ( 0.4750000 0.2742414 0.3147177), wk = 0.0034130 k( 175) = ( 0.4875000 0.2814583 0.3147177), wk = 0.0034130 k( 176) = ( 0.5000000 0.2886751 0.3147177), wk = 0.0034130 k( 177) = ( 0.5000000 0.2886751 0.3147177), wk = 0.0034130 k( 178) = ( 0.4927536 0.3012262 0.3147177), wk = 0.0034130 k( 179) = ( 0.4855073 0.3137773 0.3147177), wk = 0.0034130 k( 180) = ( 0.4782609 0.3263284 0.3147177), wk = 0.0034130 k( 181) = ( 0.4710145 0.3388795 0.3147177), wk = 0.0034130 k( 182) = ( 0.4637681 0.3514306 0.3147177), wk = 0.0034130 k( 183) = ( 0.4565217 0.3639817 0.3147177), wk = 0.0034130 k( 184) = ( 0.4492754 0.3765328 0.3147177), wk = 0.0034130 k( 185) = ( 0.4420290 0.3890839 0.3147177), wk = 0.0034130 k( 186) = ( 0.4347826 0.4016350 0.3147177), wk = 0.0034130 k( 187) = ( 0.4275362 0.4141861 0.3147177), wk = 0.0034130 k( 188) = ( 0.4202899 0.4267372 0.3147177), wk = 0.0034130 k( 189) = ( 0.4130435 0.4392882 0.3147177), wk = 0.0034130 k( 190) = ( 0.4057971 0.4518393 0.3147177), wk = 0.0034130 k( 191) = ( 0.3985507 0.4643904 0.3147177), wk = 0.0034130 k( 192) = ( 0.3913044 0.4769415 0.3147177), wk = 0.0034130 k( 193) = ( 0.3840580 0.4894926 0.3147177), wk = 0.0034130 k( 194) = ( 0.3768116 0.5020437 0.3147177), wk = 0.0034130 k( 195) = ( 0.3695652 0.5145948 0.3147177), wk = 0.0034130 k( 196) = ( 0.3623188 0.5271459 0.3147177), wk = 0.0034130 k( 197) = ( 0.3550725 0.5396970 0.3147177), wk = 0.0034130 k( 198) = ( 0.3478261 0.5522481 0.3147177), wk = 0.0034130 k( 199) = ( 0.3405797 0.5647992 0.3147177), wk = 0.0034130 k( 200) = ( 0.3333333 0.5773503 0.3147177), wk = 0.0034130 k( 201) = ( 0.3333333 0.5773503 0.3147177), wk = 0.0034130 k( 202) = ( 0.3260870 0.5647992 0.3147177), wk = 0.0034130 k( 203) = ( 0.3188406 0.5522481 0.3147177), wk = 0.0034130 k( 204) = ( 0.3115942 0.5396970 0.3147177), wk = 0.0034130 k( 205) = ( 0.3043478 0.5271459 0.3147177), wk = 0.0034130 k( 206) = ( 0.2971014 0.5145948 0.3147177), wk = 0.0034130 k( 207) = ( 0.2898551 0.5020437 0.3147177), wk = 0.0034130 k( 208) = ( 0.2826087 0.4894926 0.3147177), wk = 0.0034130 k( 209) = ( 0.2753623 0.4769415 0.3147177), wk = 0.0034130 k( 210) = ( 0.2681159 0.4643904 0.3147177), wk = 0.0034130 k( 211) = ( 0.2608696 0.4518393 0.3147177), wk = 0.0034130 k( 212) = ( 0.2536232 0.4392883 0.3147177), wk = 0.0034130 k( 213) = ( 0.2463768 0.4267372 0.3147177), wk = 0.0034130 k( 214) = ( 0.2391304 0.4141861 0.3147177), wk = 0.0034130 k( 215) = ( 0.2318841 0.4016350 0.3147177), wk = 0.0034130 k( 216) = ( 0.2246377 0.3890839 0.3147177), wk = 0.0034130 k( 217) = ( 0.2173913 0.3765328 0.3147177), wk = 0.0034130 k( 218) = ( 0.2101449 0.3639817 0.3147177), wk = 0.0034130 k( 219) = ( 0.2028986 0.3514306 0.3147177), wk = 0.0034130 k( 220) = ( 0.1956522 0.3388795 0.3147177), wk = 0.0034130 k( 221) = ( 0.1884058 0.3263284 0.3147177), wk = 0.0034130 k( 222) = ( 0.1811594 0.3137773 0.3147177), wk = 0.0034130 k( 223) = ( 0.1739130 0.3012262 0.3147177), wk = 0.0034130 k( 224) = ( 0.1666667 0.2886751 0.3147177), wk = 0.0034130 k( 225) = ( 0.1594203 0.2761240 0.3147177), wk = 0.0034130 k( 226) = ( 0.1521739 0.2635729 0.3147177), wk = 0.0034130 k( 227) = ( 0.1449275 0.2510219 0.3147177), wk = 0.0034130 k( 228) = ( 0.1376812 0.2384708 0.3147177), wk = 0.0034130 k( 229) = ( 0.1304348 0.2259197 0.3147177), wk = 0.0034130 k( 230) = ( 0.1231884 0.2133686 0.3147177), wk = 0.0034130 k( 231) = ( 0.1159420 0.2008175 0.3147177), wk = 0.0034130 k( 232) = ( 0.1086957 0.1882664 0.3147177), wk = 0.0034130 k( 233) = ( 0.1014493 0.1757153 0.3147177), wk = 0.0034130 k( 234) = ( 0.0942029 0.1631642 0.3147177), wk = 0.0034130 k( 235) = ( 0.0869565 0.1506131 0.3147177), wk = 0.0034130 k( 236) = ( 0.0797101 0.1380620 0.3147177), wk = 0.0034130 k( 237) = ( 0.0724638 0.1255109 0.3147177), wk = 0.0034130 k( 238) = ( 0.0652174 0.1129598 0.3147177), wk = 0.0034130 k( 239) = ( 0.0579710 0.1004087 0.3147177), wk = 0.0034130 k( 240) = ( 0.0507246 0.0878577 0.3147177), wk = 0.0034130 k( 241) = ( 0.0434783 0.0753066 0.3147177), wk = 0.0034130 k( 242) = ( 0.0362319 0.0627555 0.3147177), wk = 0.0034130 k( 243) = ( 0.0289855 0.0502044 0.3147177), wk = 0.0034130 k( 244) = ( 0.0217391 0.0376533 0.3147177), wk = 0.0034130 k( 245) = ( 0.0144928 0.0251022 0.3147177), wk = 0.0034130 k( 246) = ( 0.0072464 0.0125511 0.3147177), wk = 0.0034130 k( 247) = ( 0.0000000 0.0000000 0.3147177), wk = 0.0034130 k( 248) = ( 0.5000000 0.2886751 0.3147177), wk = 0.0034130 k( 249) = ( 0.5000000 0.2886751 0.3004123), wk = 0.0034130 k( 250) = ( 0.5000000 0.2886751 0.2861070), wk = 0.0034130 k( 251) = ( 0.5000000 0.2886751 0.2718016), wk = 0.0034130 k( 252) = ( 0.5000000 0.2886751 0.2574963), wk = 0.0034130 k( 253) = ( 0.5000000 0.2886751 0.2431909), wk = 0.0034130 k( 254) = ( 0.5000000 0.2886751 0.2288856), wk = 0.0034130 k( 255) = ( 0.5000000 0.2886751 0.2145802), wk = 0.0034130 k( 256) = ( 0.5000000 0.2886751 0.2002749), wk = 0.0034130 k( 257) = ( 0.5000000 0.2886751 0.1859695), wk = 0.0034130 k( 258) = ( 0.5000000 0.2886751 0.1716642), wk = 0.0034130 k( 259) = ( 0.5000000 0.2886751 0.1573588), wk = 0.0034130 k( 260) = ( 0.5000000 0.2886751 0.1430535), wk = 0.0034130 k( 261) = ( 0.5000000 0.2886751 0.1287481), wk = 0.0034130 k( 262) = ( 0.5000000 0.2886751 0.1144428), wk = 0.0034130 k( 263) = ( 0.5000000 0.2886751 0.1001374), wk = 0.0034130 k( 264) = ( 0.5000000 0.2886751 0.0858321), wk = 0.0034130 k( 265) = ( 0.5000000 0.2886751 0.0715267), wk = 0.0034130 k( 266) = ( 0.5000000 0.2886751 0.0572214), wk = 0.0034130 k( 267) = ( 0.5000000 0.2886751 0.0429160), wk = 0.0034130 k( 268) = ( 0.5000000 0.2886751 0.0286107), wk = 0.0034130 k( 269) = ( 0.5000000 0.2886751 0.0143053), wk = 0.0034130 k( 270) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034130 k( 271) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034130 k( 272) = ( 0.3333333 0.5773503 0.0143053), wk = 0.0034130 k( 273) = ( 0.3333333 0.5773503 0.0286107), wk = 0.0034130 k( 274) = ( 0.3333333 0.5773503 0.0429160), wk = 0.0034130 k( 275) = ( 0.3333333 0.5773503 0.0572214), wk = 0.0034130 k( 276) = ( 0.3333333 0.5773503 0.0715267), wk = 0.0034130 k( 277) = ( 0.3333333 0.5773503 0.0858321), wk = 0.0034130 k( 278) = ( 0.3333333 0.5773503 0.1001374), wk = 0.0034130 k( 279) = ( 0.3333333 0.5773503 0.1144428), wk = 0.0034130 k( 280) = ( 0.3333333 0.5773503 0.1287481), wk = 0.0034130 k( 281) = ( 0.3333333 0.5773503 0.1430535), wk = 0.0034130 k( 282) = ( 0.3333333 0.5773503 0.1573588), wk = 0.0034130 k( 283) = ( 0.3333333 0.5773503 0.1716642), wk = 0.0034130 k( 284) = ( 0.3333333 0.5773503 0.1859695), wk = 0.0034130 k( 285) = ( 0.3333333 0.5773503 0.2002749), wk = 0.0034130 k( 286) = ( 0.3333333 0.5773503 0.2145802), wk = 0.0034130 k( 287) = ( 0.3333333 0.5773503 0.2288856), wk = 0.0034130 k( 288) = ( 0.3333333 0.5773503 0.2431909), wk = 0.0034130 k( 289) = ( 0.3333333 0.5773503 0.2574963), wk = 0.0034130 k( 290) = ( 0.3333333 0.5773503 0.2718016), wk = 0.0034130 k( 291) = ( 0.3333333 0.5773503 0.2861070), wk = 0.0034130 k( 292) = ( 0.3333333 0.5773503 0.3004123), wk = 0.0034130 k( 293) = ( 0.3333333 0.5773503 0.3147177), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0034130 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0034130 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0034130 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0034130 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0034130 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034130 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0034130 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0034130 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0034130 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0034130 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0034130 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0034130 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0034130 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0034130 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034130 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0034130 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0034130 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0034130 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0034130 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0034130 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0034130 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0034130 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0034130 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034130 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0034130 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034130 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0034130 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0034130 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0034130 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0034130 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0034130 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0034130 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 43) = ( 0.4927536 0.0144927 0.0000000), wk = 0.0034130 k( 44) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0034130 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0034130 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0034130 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0034130 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0034130 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0034130 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0034130 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0034130 k( 52) = ( 0.4275362 0.1449275 -0.0000000), wk = 0.0034130 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0034130 k( 54) = ( 0.4130435 0.1739130 -0.0000000), wk = 0.0034130 k( 55) = ( 0.4057971 0.1884058 -0.0000000), wk = 0.0034130 k( 56) = ( 0.3985507 0.2028985 0.0000000), wk = 0.0034130 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0034130 k( 58) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0034130 k( 59) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0034130 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0034130 k( 61) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0034130 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034130 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034130 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034130 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034130 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034130 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0034130 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0034130 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0034130 k( 70) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0034130 k( 71) = ( 0.2971014 0.2971014 -0.0000000), wk = 0.0034130 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0034130 k( 73) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0034130 k( 74) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0034130 k( 75) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0034130 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0034130 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0034130 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0034130 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034130 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0034130 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0034130 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0034130 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0034130 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0034130 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0034130 k( 86) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0034130 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0034130 k( 88) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0034130 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034130 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0034130 k( 91) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034130 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0034130 k( 93) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0034130 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0034130 k( 95) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0034130 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0034130 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0034130 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0034130 k( 99) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0034130 k( 100) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0034130 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0034130 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0034130 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0034130 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0034130 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0034130 k( 106) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0034130 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0034130 k( 108) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0034130 k( 109) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0034130 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0034130 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0034130 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 114) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0034130 k( 115) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0034130 k( 116) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0034130 k( 120) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0034130 k( 121) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0034130 k( 122) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0034130 k( 123) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0034130 k( 124) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034130 k( 125) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0034130 k( 126) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0034130 k( 127) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0034130 k( 128) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0034130 k( 129) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0034130 k( 130) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0034130 k( 131) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0034130 k( 132) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0034130 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 137) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0034130 k( 138) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0034130 k( 139) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0034130 k( 140) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0034130 k( 141) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034130 k( 142) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0034130 k( 143) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0034130 k( 144) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0034130 k( 145) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0034130 k( 146) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034130 k( 147) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0034130 k( 148) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0034130 k( 149) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0034130 k( 150) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0034130 k( 151) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034130 k( 152) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0034130 k( 153) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0034130 k( 154) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0034130 k( 155) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0034130 k( 156) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034130 k( 157) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0034130 k( 158) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0034130 k( 159) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0034130 k( 160) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034130 k( 161) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0034130 k( 162) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0034130 k( 163) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0034130 k( 164) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0034130 k( 165) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0034130 k( 166) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034130 k( 167) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0034130 k( 168) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0034130 k( 169) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0034130 k( 170) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0034130 k( 171) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034130 k( 172) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0034130 k( 173) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0034130 k( 174) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0034130 k( 175) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0034130 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 178) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0034130 k( 179) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034130 k( 180) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034130 k( 181) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034130 k( 182) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034130 k( 183) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034130 k( 184) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034130 k( 185) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034130 k( 186) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034130 k( 187) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034130 k( 188) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034130 k( 189) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034130 k( 190) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034130 k( 191) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0034130 k( 192) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034130 k( 193) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034130 k( 194) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034130 k( 195) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034130 k( 196) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034130 k( 197) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034130 k( 198) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034130 k( 199) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034130 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 k( 202) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034130 k( 203) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0034130 k( 204) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0034130 k( 205) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034130 k( 206) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0034130 k( 207) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0034130 k( 208) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034130 k( 209) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0034130 k( 210) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0034130 k( 211) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034130 k( 212) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0034130 k( 213) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0034130 k( 214) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034130 k( 215) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0034130 k( 216) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0034130 k( 217) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034130 k( 218) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0034130 k( 219) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0034130 k( 220) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034130 k( 221) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0034130 k( 222) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0034130 k( 223) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034130 k( 224) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034130 k( 225) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0034130 k( 226) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034130 k( 227) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0034130 k( 228) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0034130 k( 229) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034130 k( 230) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0034130 k( 231) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0034130 k( 232) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034130 k( 233) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0034130 k( 234) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0034130 k( 235) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034130 k( 236) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0034130 k( 237) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0034130 k( 238) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034130 k( 239) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0034130 k( 240) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0034130 k( 241) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034130 k( 242) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0034130 k( 243) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0034130 k( 244) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034130 k( 245) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0034130 k( 246) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0034130 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034130 k( 249) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0034130 k( 250) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0034130 k( 251) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0034130 k( 252) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0034130 k( 253) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0034130 k( 254) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0034130 k( 255) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0034130 k( 256) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0034130 k( 257) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0034130 k( 258) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0034130 k( 259) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034130 k( 260) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0034130 k( 261) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0034130 k( 262) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0034130 k( 263) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0034130 k( 264) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0034130 k( 265) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0034130 k( 266) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0034130 k( 267) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0034130 k( 268) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0034130 k( 269) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0034130 k( 270) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 271) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034130 k( 272) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0034130 k( 273) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0034130 k( 274) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0034130 k( 275) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0034130 k( 276) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0034130 k( 277) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0034130 k( 278) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0034130 k( 279) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0034130 k( 280) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0034130 k( 281) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0034130 k( 282) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034130 k( 283) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0034130 k( 284) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0034130 k( 285) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0034130 k( 286) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0034130 k( 287) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0034130 k( 288) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0034130 k( 289) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0034130 k( 290) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0034130 k( 291) = ( 0.3333333 0.3333333 0.4545454), wk = 0.0034130 k( 292) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0034130 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034130 Dense grid: 112717 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 53791 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 390, 48) NL pseudopotentials 0.33 Mb ( 195, 110) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3133) G-vector shells 0.01 Mb ( 1456) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.14 Mb ( 390, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./Mg3Sb2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.8 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.6 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.7 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.2 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.4 secs Computing kpt #: 43 total cpu time spent up to now is 19.8 secs Computing kpt #: 44 total cpu time spent up to now is 20.2 secs Computing kpt #: 45 total cpu time spent up to now is 20.5 secs Computing kpt #: 46 total cpu time spent up to now is 20.9 secs Computing kpt #: 47 total cpu time spent up to now is 21.3 secs Computing kpt #: 48 total cpu time spent up to now is 21.6 secs Computing kpt #: 49 total cpu time spent up to now is 22.0 secs Computing kpt #: 50 total cpu time spent up to now is 22.4 secs Computing kpt #: 51 total cpu time spent up to now is 22.7 secs Computing kpt #: 52 total cpu time spent up to now is 23.1 secs Computing kpt #: 53 total cpu time spent up to now is 23.5 secs Computing kpt #: 54 total cpu time spent up to now is 23.8 secs Computing kpt #: 55 total cpu time spent up to now is 24.2 secs Computing kpt #: 56 total cpu time spent up to now is 24.6 secs Computing kpt #: 57 total cpu time spent up to now is 25.0 secs Computing kpt #: 58 total cpu time spent up to now is 25.4 secs Computing kpt #: 59 total cpu time spent up to now is 25.8 secs Computing kpt #: 60 total cpu time spent up to now is 26.2 secs Computing kpt #: 61 total cpu time spent up to now is 26.6 secs Computing kpt #: 62 total cpu time spent up to now is 27.0 secs Computing kpt #: 63 total cpu time spent up to now is 27.3 secs Computing kpt #: 64 total cpu time spent up to now is 27.7 secs Computing kpt #: 65 total cpu time spent up to now is 28.1 secs Computing kpt #: 66 total cpu time spent up to now is 28.5 secs Computing kpt #: 67 total cpu time spent up to now is 28.9 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 30.1 secs Computing kpt #: 71 total cpu time spent up to now is 30.7 secs Computing kpt #: 72 total cpu time spent up to now is 31.2 secs Computing kpt #: 73 total cpu time spent up to now is 31.8 secs Computing kpt #: 74 total cpu time spent up to now is 32.4 secs Computing kpt #: 75 total cpu time spent up to now is 32.9 secs Computing kpt #: 76 total cpu time spent up to now is 33.4 secs Computing kpt #: 77 total cpu time spent up to now is 33.9 secs Computing kpt #: 78 total cpu time spent up to now is 34.5 secs Computing kpt #: 79 total cpu time spent up to now is 34.9 secs Computing kpt #: 80 total cpu time spent up to now is 35.4 secs Computing kpt #: 81 total cpu time spent up to now is 36.0 secs Computing kpt #: 82 total cpu time spent up to now is 36.6 secs Computing kpt #: 83 total cpu time spent up to now is 37.0 secs Computing kpt #: 84 total cpu time spent up to now is 37.6 secs Computing kpt #: 85 total cpu time spent up to now is 38.2 secs Computing kpt #: 86 total cpu time spent up to now is 38.6 secs Computing kpt #: 87 total cpu time spent up to now is 39.1 secs Computing kpt #: 88 total cpu time spent up to now is 39.7 secs Computing kpt #: 89 total cpu time spent up to now is 40.1 secs Computing kpt #: 90 total cpu time spent up to now is 40.5 secs Computing kpt #: 91 total cpu time spent up to now is 40.9 secs Computing kpt #: 92 total cpu time spent up to now is 41.3 secs Computing kpt #: 93 total cpu time spent up to now is 41.7 secs Computing kpt #: 94 total cpu time spent up to now is 42.2 secs Computing kpt #: 95 total cpu time spent up to now is 42.6 secs Computing kpt #: 96 total cpu time spent up to now is 43.3 secs Computing kpt #: 97 total cpu time spent up to now is 43.6 secs Computing kpt #: 98 total cpu time spent up to now is 44.0 secs Computing kpt #: 99 total cpu time spent up to now is 44.4 secs Computing kpt #: 100 total cpu time spent up to now is 44.9 secs Computing kpt #: 101 total cpu time spent up to now is 45.2 secs Computing kpt #: 102 total cpu time spent up to now is 45.6 secs Computing kpt #: 103 total cpu time spent up to now is 46.0 secs Computing kpt #: 104 total cpu time spent up to now is 46.4 secs Computing kpt #: 105 total cpu time spent up to now is 46.8 secs Computing kpt #: 106 total cpu time spent up to now is 47.1 secs Computing kpt #: 107 total cpu time spent up to now is 47.5 secs Computing kpt #: 108 total cpu time spent up to now is 47.9 secs Computing kpt #: 109 total cpu time spent up to now is 48.3 secs Computing kpt #: 110 total cpu time spent up to now is 48.7 secs Computing kpt #: 111 total cpu time spent up to now is 49.1 secs Computing kpt #: 112 total cpu time spent up to now is 49.4 secs Computing kpt #: 113 total cpu time spent up to now is 49.8 secs Computing kpt #: 114 total cpu time spent up to now is 50.2 secs Computing kpt #: 115 total cpu time spent up to now is 50.6 secs Computing kpt #: 116 total cpu time spent up to now is 51.0 secs Computing kpt #: 117 total cpu time spent up to now is 51.4 secs Computing kpt #: 118 total cpu time spent up to now is 51.8 secs Computing kpt #: 119 total cpu time spent up to now is 52.2 secs Computing kpt #: 120 total cpu time spent up to now is 52.6 secs Computing kpt #: 121 total cpu time spent up to now is 52.9 secs Computing kpt #: 122 total cpu time spent up to now is 53.3 secs Computing kpt #: 123 total cpu time spent up to now is 53.7 secs Computing kpt #: 124 total cpu time spent up to now is 54.2 secs Computing kpt #: 125 total cpu time spent up to now is 54.6 secs Computing kpt #: 126 total cpu time spent up to now is 55.1 secs Computing kpt #: 127 total cpu time spent up to now is 55.6 secs Computing kpt #: 128 total cpu time spent up to now is 56.0 secs Computing kpt #: 129 total cpu time spent up to now is 56.3 secs Computing kpt #: 130 total cpu time spent up to now is 56.7 secs Computing kpt #: 131 total cpu time spent up to now is 57.1 secs Computing kpt #: 132 total cpu time spent up to now is 57.5 secs Computing kpt #: 133 total cpu time spent up to now is 57.8 secs Computing kpt #: 134 total cpu time spent up to now is 58.2 secs Computing kpt #: 135 total cpu time spent up to now is 58.6 secs Computing kpt #: 136 total cpu time spent up to now is 58.9 secs Computing kpt #: 137 total cpu time spent up to now is 59.3 secs Computing kpt #: 138 total cpu time spent up to now is 59.7 secs Computing kpt #: 139 total cpu time spent up to now is 60.1 secs Computing kpt #: 140 total cpu time spent up to now is 60.4 secs Computing kpt #: 141 total cpu time spent up to now is 60.8 secs Computing kpt #: 142 total cpu time spent up to now is 61.2 secs Computing kpt #: 143 total cpu time spent up to now is 61.7 secs Computing kpt #: 144 total cpu time spent up to now is 62.1 secs Computing kpt #: 145 total cpu time spent up to now is 62.7 secs Computing kpt #: 146 total cpu time spent up to now is 63.3 secs Computing kpt #: 147 total cpu time spent up to now is 63.9 secs Computing kpt #: 148 total cpu time spent up to now is 64.5 secs Computing kpt #: 149 total cpu time spent up to now is 65.1 secs Computing kpt #: 150 total cpu time spent up to now is 65.7 secs Computing kpt #: 151 total cpu time spent up to now is 66.4 secs Computing kpt #: 152 total cpu time spent up to now is 67.1 secs Computing kpt #: 153 total cpu time spent up to now is 67.6 secs Computing kpt #: 154 total cpu time spent up to now is 68.0 secs Computing kpt #: 155 total cpu time spent up to now is 68.4 secs Computing kpt #: 156 total cpu time spent up to now is 68.8 secs Computing kpt #: 157 total cpu time spent up to now is 69.2 secs Computing kpt #: 158 total cpu time spent up to now is 69.5 secs Computing kpt #: 159 total cpu time spent up to now is 69.9 secs Computing kpt #: 160 total cpu time spent up to now is 70.2 secs Computing kpt #: 161 total cpu time spent up to now is 70.6 secs Computing kpt #: 162 total cpu time spent up to now is 70.9 secs Computing kpt #: 163 total cpu time spent up to now is 71.3 secs Computing kpt #: 164 total cpu time spent up to now is 71.7 secs Computing kpt #: 165 total cpu time spent up to now is 72.0 secs Computing kpt #: 166 total cpu time spent up to now is 72.4 secs Computing kpt #: 167 total cpu time spent up to now is 72.7 secs Computing kpt #: 168 total cpu time spent up to now is 73.1 secs Computing kpt #: 169 total cpu time spent up to now is 73.4 secs Computing kpt #: 170 total cpu time spent up to now is 73.8 secs Computing kpt #: 171 total cpu time spent up to now is 74.2 secs Computing kpt #: 172 total cpu time spent up to now is 74.5 secs Computing kpt #: 173 total cpu time spent up to now is 74.9 secs Computing kpt #: 174 total cpu time spent up to now is 75.2 secs Computing kpt #: 175 total cpu time spent up to now is 75.6 secs Computing kpt #: 176 total cpu time spent up to now is 76.0 secs Computing kpt #: 177 total cpu time spent up to now is 76.3 secs Computing kpt #: 178 total cpu time spent up to now is 76.7 secs Computing kpt #: 179 total cpu time spent up to now is 77.0 secs Computing kpt #: 180 total cpu time spent up to now is 77.4 secs Computing kpt #: 181 total cpu time spent up to now is 77.8 secs Computing kpt #: 182 total cpu time spent up to now is 78.1 secs Computing kpt #: 183 total cpu time spent up to now is 78.5 secs Computing kpt #: 184 total cpu time spent up to now is 78.8 secs Computing kpt #: 185 total cpu time spent up to now is 79.2 secs Computing kpt #: 186 total cpu time spent up to now is 79.5 secs Computing kpt #: 187 total cpu time spent up to now is 79.9 secs Computing kpt #: 188 total cpu time spent up to now is 80.3 secs Computing kpt #: 189 total cpu time spent up to now is 80.6 secs Computing kpt #: 190 total cpu time spent up to now is 81.0 secs Computing kpt #: 191 total cpu time spent up to now is 81.4 secs Computing kpt #: 192 total cpu time spent up to now is 81.8 secs Computing kpt #: 193 total cpu time spent up to now is 82.2 secs Computing kpt #: 194 total cpu time spent up to now is 82.5 secs Computing kpt #: 195 total cpu time spent up to now is 82.9 secs Computing kpt #: 196 total cpu time spent up to now is 83.3 secs Computing kpt #: 197 total cpu time spent up to now is 83.7 secs Computing kpt #: 198 total cpu time spent up to now is 84.1 secs Computing kpt #: 199 total cpu time spent up to now is 84.4 secs Computing kpt #: 200 total cpu time spent up to now is 84.8 secs Computing kpt #: 201 total cpu time spent up to now is 85.2 secs Computing kpt #: 202 total cpu time spent up to now is 85.5 secs Computing kpt #: 203 total cpu time spent up to now is 85.9 secs Computing kpt #: 204 total cpu time spent up to now is 86.3 secs Computing kpt #: 205 total cpu time spent up to now is 86.6 secs Computing kpt #: 206 total cpu time spent up to now is 87.0 secs Computing kpt #: 207 total cpu time spent up to now is 87.4 secs Computing kpt #: 208 total cpu time spent up to now is 87.8 secs Computing kpt #: 209 total cpu time spent up to now is 88.1 secs Computing kpt #: 210 total cpu time spent up to now is 88.5 secs Computing kpt #: 211 total cpu time spent up to now is 88.9 secs Computing kpt #: 212 total cpu time spent up to now is 89.3 secs Computing kpt #: 213 total cpu time spent up to now is 89.6 secs Computing kpt #: 214 total cpu time spent up to now is 90.0 secs Computing kpt #: 215 total cpu time spent up to now is 90.4 secs Computing kpt #: 216 total cpu time spent up to now is 90.8 secs Computing kpt #: 217 total cpu time spent up to now is 91.2 secs Computing kpt #: 218 total cpu time spent up to now is 91.6 secs Computing kpt #: 219 total cpu time spent up to now is 91.9 secs Computing kpt #: 220 total cpu time spent up to now is 92.3 secs Computing kpt #: 221 total cpu time spent up to now is 92.8 secs Computing kpt #: 222 total cpu time spent up to now is 93.3 secs Computing kpt #: 223 total cpu time spent up to now is 94.0 secs Computing kpt #: 224 total cpu time spent up to now is 94.7 secs Computing kpt #: 225 total cpu time spent up to now is 95.1 secs Computing kpt #: 226 total cpu time spent up to now is 95.6 secs Computing kpt #: 227 total cpu time spent up to now is 96.0 secs Computing kpt #: 228 total cpu time spent up to now is 96.4 secs Computing kpt #: 229 total cpu time spent up to now is 96.8 secs Computing kpt #: 230 total cpu time spent up to now is 97.1 secs Computing kpt #: 231 total cpu time spent up to now is 97.5 secs Computing kpt #: 232 total cpu time spent up to now is 97.9 secs Computing kpt #: 233 total cpu time spent up to now is 98.3 secs Computing kpt #: 234 total cpu time spent up to now is 98.7 secs Computing kpt #: 235 total cpu time spent up to now is 99.1 secs Computing kpt #: 236 total cpu time spent up to now is 99.5 secs Computing kpt #: 237 total cpu time spent up to now is 99.9 secs Computing kpt #: 238 total cpu time spent up to now is 100.3 secs Computing kpt #: 239 total cpu time spent up to now is 100.9 secs Computing kpt #: 240 total cpu time spent up to now is 101.3 secs Computing kpt #: 241 total cpu time spent up to now is 101.7 secs Computing kpt #: 242 total cpu time spent up to now is 102.1 secs Computing kpt #: 243 total cpu time spent up to now is 102.6 secs Computing kpt #: 244 total cpu time spent up to now is 103.0 secs Computing kpt #: 245 total cpu time spent up to now is 103.3 secs Computing kpt #: 246 total cpu time spent up to now is 103.7 secs Computing kpt #: 247 total cpu time spent up to now is 104.1 secs Computing kpt #: 248 total cpu time spent up to now is 104.4 secs Computing kpt #: 249 total cpu time spent up to now is 104.8 secs Computing kpt #: 250 total cpu time spent up to now is 105.2 secs Computing kpt #: 251 total cpu time spent up to now is 105.5 secs Computing kpt #: 252 total cpu time spent up to now is 105.9 secs Computing kpt #: 253 total cpu time spent up to now is 106.2 secs Computing kpt #: 254 total cpu time spent up to now is 106.6 secs Computing kpt #: 255 total cpu time spent up to now is 106.9 secs Computing kpt #: 256 total cpu time spent up to now is 107.3 secs Computing kpt #: 257 total cpu time spent up to now is 107.7 secs Computing kpt #: 258 total cpu time spent up to now is 108.0 secs Computing kpt #: 259 total cpu time spent up to now is 108.4 secs Computing kpt #: 260 total cpu time spent up to now is 108.8 secs Computing kpt #: 261 total cpu time spent up to now is 109.1 secs Computing kpt #: 262 total cpu time spent up to now is 109.5 secs Computing kpt #: 263 total cpu time spent up to now is 109.9 secs Computing kpt #: 264 total cpu time spent up to now is 110.3 secs Computing kpt #: 265 total cpu time spent up to now is 110.6 secs Computing kpt #: 266 total cpu time spent up to now is 111.0 secs Computing kpt #: 267 total cpu time spent up to now is 111.4 secs Computing kpt #: 268 total cpu time spent up to now is 111.7 secs Computing kpt #: 269 total cpu time spent up to now is 112.1 secs Computing kpt #: 270 total cpu time spent up to now is 112.5 secs Computing kpt #: 271 total cpu time spent up to now is 112.9 secs Computing kpt #: 272 total cpu time spent up to now is 113.3 secs Computing kpt #: 273 total cpu time spent up to now is 113.7 secs Computing kpt #: 274 total cpu time spent up to now is 114.1 secs Computing kpt #: 275 total cpu time spent up to now is 114.5 secs Computing kpt #: 276 total cpu time spent up to now is 114.8 secs Computing kpt #: 277 total cpu time spent up to now is 115.2 secs Computing kpt #: 278 total cpu time spent up to now is 115.6 secs Computing kpt #: 279 total cpu time spent up to now is 116.0 secs Computing kpt #: 280 total cpu time spent up to now is 116.4 secs Computing kpt #: 281 total cpu time spent up to now is 116.8 secs Computing kpt #: 282 total cpu time spent up to now is 117.1 secs Computing kpt #: 283 total cpu time spent up to now is 117.5 secs Computing kpt #: 284 total cpu time spent up to now is 117.9 secs Computing kpt #: 285 total cpu time spent up to now is 118.3 secs Computing kpt #: 286 total cpu time spent up to now is 118.6 secs Computing kpt #: 287 total cpu time spent up to now is 119.0 secs Computing kpt #: 288 total cpu time spent up to now is 119.4 secs Computing kpt #: 289 total cpu time spent up to now is 119.7 secs Computing kpt #: 290 total cpu time spent up to now is 120.1 secs Computing kpt #: 291 total cpu time spent up to now is 120.4 secs Computing kpt #: 292 total cpu time spent up to now is 120.8 secs Computing kpt #: 293 total cpu time spent up to now is 121.2 secs ethr = 2.50E-08, avg # of iterations = 18.8 total cpu time spent up to now is 121.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5854 -4.5854 -3.3499 -3.3499 0.7960 0.7960 4.4366 4.4366 4.8139 4.8139 4.9746 4.9746 5.5395 5.5395 5.8560 5.8560 6.8883 6.8883 6.9935 6.9935 8.7729 8.7729 8.7751 8.7751 k = 0.0125 0.0072-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5843 -4.5843 -3.3492 -3.3492 0.7973 0.7973 4.4292 4.4292 4.7997 4.7997 4.9748 4.9748 5.5303 5.5303 5.8532 5.8532 6.9044 6.9044 7.0054 7.0054 8.7632 8.7632 8.7766 8.7766 k = 0.0250 0.0144-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5810 -4.5810 -3.3472 -3.3472 0.8014 0.8014 4.4067 4.4067 4.7617 4.7617 4.9718 4.9718 5.5044 5.5044 5.8457 5.8457 6.9504 6.9504 7.0402 7.0402 8.7324 8.7324 8.7844 8.7844 k = 0.0375 0.0217-0.0000 ( 6751 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5755 -4.5755 -3.3438 -3.3438 0.8082 0.8082 4.3680 4.3680 4.7080 4.7080 4.9593 4.9593 5.4666 5.4666 5.8349 5.8349 7.0205 7.0205 7.0954 7.0954 8.6851 8.6851 8.7974 8.7974 k = 0.0500 0.0289-0.0000 ( 6755 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5678 -4.5678 -3.3390 -3.3390 0.8177 0.8177 4.3117 4.3117 4.6462 4.6462 4.9327 4.9327 5.4236 5.4236 5.8221 5.8221 7.1072 7.1072 7.1679 7.1679 8.6265 8.6265 8.8157 8.8157 k = 0.0625 0.0361-0.0000 ( 6761 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5579 -4.5579 -3.3330 -3.3330 0.8298 0.8298 4.2373 4.2373 4.5818 4.5818 4.8895 4.8895 5.3819 5.3819 5.8075 5.8075 7.2037 7.2037 7.2533 7.2533 8.5622 8.5622 8.8391 8.8391 k = 0.0750 0.0433-0.0000 ( 6771 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5458 -4.5458 -3.3257 -3.3257 0.8447 0.8447 4.1456 4.1456 4.5174 4.5174 4.8297 4.8297 5.3454 5.3454 5.7909 5.7909 7.3044 7.3044 7.3457 7.3457 8.4987 8.4987 8.8676 8.8676 k = 0.0875 0.0505-0.0000 ( 6763 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5316 -4.5316 -3.3172 -3.3172 0.8622 0.8622 4.0393 4.0393 4.4533 4.4533 4.7558 4.7558 5.3149 5.3149 5.7721 5.7721 7.4056 7.4056 7.4367 7.4367 8.4440 8.4440 8.9006 8.9006 k = 0.1000 0.0577-0.0000 ( 6759 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5153 -4.5153 -3.3074 -3.3074 0.8823 0.8823 3.9219 3.9219 4.3881 4.3881 4.6724 4.6724 5.2891 5.2891 5.7506 5.7506 7.4973 7.4973 7.5222 7.5222 8.4081 8.4081 8.9374 8.9374 k = 0.1125 0.0650-0.0000 ( 6749 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4969 -4.4969 -3.2966 -3.2966 0.9052 0.9052 3.7966 3.7966 4.3193 4.3193 4.5846 4.5846 5.2661 5.2661 5.7261 5.7261 7.5505 7.5505 7.6161 7.6161 8.4023 8.4023 8.9770 8.9770 k = 0.1250 0.0722-0.0000 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4765 -4.4765 -3.2847 -3.2847 0.9306 0.9306 3.6660 3.6660 4.2446 4.2446 4.4973 4.4973 5.2443 5.2443 5.6985 5.6985 7.5621 7.5621 7.7107 7.7107 8.4331 8.4331 9.0175 9.0175 k = 0.1375 0.0794-0.0000 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4540 -4.4540 -3.2718 -3.2718 0.9586 0.9586 3.5320 3.5320 4.1616 4.1616 4.4144 4.4144 5.2223 5.2223 5.6674 5.6674 7.5378 7.5378 7.7993 7.7993 8.4964 8.4964 9.0564 9.0564 k = 0.1500 0.0866-0.0000 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1977 -37.1977 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.4296 -4.4296 -3.2581 -3.2581 0.9891 0.9891 3.3963 3.3963 4.0696 4.0696 4.3384 4.3384 5.1993 5.1993 5.6329 5.6329 7.4874 7.4874 7.8787 7.8787 8.5778 8.5778 9.0904 9.0904 k = 0.1625 0.0938-0.0000 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4807 -37.4807 -37.1977 -37.1977 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.4032 -4.4032 -3.2435 -3.2435 1.0222 1.0222 3.2600 3.2600 3.9697 3.9697 4.2694 4.2694 5.1747 5.1747 5.5949 5.5949 7.4208 7.4208 7.9464 7.9464 8.6577 8.6577 9.1159 9.1159 k = 0.1750 0.1010-0.0000 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.3749 -4.3749 -3.2283 -3.2283 1.0577 1.0577 3.1241 3.1241 3.8639 3.8639 4.2062 4.2062 5.1481 5.1481 5.5534 5.5534 7.3451 7.3451 8.0002 8.0002 8.7126 8.7126 9.1305 9.1305 k = 0.1875 0.1083-0.0000 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.3449 -4.3449 -3.2125 -3.2125 1.0956 1.0956 2.9894 2.9894 3.7545 3.7545 4.1475 4.1475 5.1192 5.1192 5.5087 5.5087 7.2648 7.2648 8.0390 8.0390 8.7275 8.7275 9.1331 9.1331 k = 0.2000 0.1155-0.0000 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.3131 -4.3131 -3.1963 -3.1963 1.1358 1.1358 2.8565 2.8565 3.6431 3.6431 4.0922 4.0922 5.0876 5.0876 5.4610 5.4610 7.1830 7.1830 8.0624 8.0624 8.7088 8.7088 9.1237 9.1237 k = 0.2125 0.1227-0.0000 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4809 -37.4809 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.2796 -4.2796 -3.1798 -3.1798 1.1782 1.1782 2.7261 2.7261 3.5311 3.5311 4.0398 4.0398 5.0528 5.0528 5.4110 5.4110 7.1013 7.1013 8.0716 8.0716 8.6708 8.6708 9.1048 9.1048 k = 0.2250 0.1299-0.0000 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4809 -37.4809 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -4.2445 -4.2445 -3.1631 -3.1631 1.2227 1.2227 2.5988 2.5988 3.4193 3.4193 3.9897 3.9897 5.0143 5.0143 5.3594 5.3594 7.0212 7.0212 8.0686 8.0686 8.6229 8.6229 9.0790 9.0790 k = 0.2375 0.1371-0.0000 ( 6740 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.2079 -4.2079 -3.1465 -3.1465 1.2690 1.2690 2.4750 2.4750 3.3086 3.3086 3.9418 3.9418 4.9714 4.9714 5.3074 5.3074 6.9434 6.9434 8.0561 8.0561 8.5704 8.5704 9.0486 9.0486 k = 0.2500 0.1443-0.0000 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.1699 -4.1699 -3.1301 -3.1301 1.3169 1.3169 2.3555 2.3555 3.1994 3.1994 3.8959 3.8959 4.9232 4.9232 5.2560 5.2560 6.8684 6.8684 8.0366 8.0366 8.5158 8.5158 9.0154 9.0154 k = 0.2625 0.1516-0.0000 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4811 -37.4811 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.1307 -4.1307 -3.1141 -3.1141 1.3659 1.3659 2.2409 2.2409 3.0922 3.0922 3.8521 3.8521 4.8690 4.8690 5.2065 5.2065 6.7967 6.7967 8.0125 8.0125 8.4609 8.4609 8.9807 8.9807 k = 0.2750 0.1588-0.0000 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4812 -37.4812 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.0903 -4.0903 -3.0987 -3.0987 1.4152 1.4152 2.1324 2.1324 2.9876 2.9876 3.8103 3.8103 4.8084 4.8084 5.1600 5.1600 6.7285 6.7285 7.9857 7.9857 8.4067 8.4067 8.9456 8.9456 k = 0.2875 0.1660-0.0000 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4812 -37.4812 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.0489 -4.0489 -3.0841 -3.0841 1.4632 1.4632 2.0318 2.0318 2.8858 2.8858 3.7704 3.7704 4.7413 4.7413 5.1170 5.1170 6.6641 6.6641 7.9576 7.9576 8.3539 8.3539 8.9107 8.9107 k = 0.3000 0.1732-0.0000 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4813 -37.4813 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.0066 -4.0066 -3.0705 -3.0705 1.5065 1.5065 1.9424 1.9424 2.7873 2.7873 3.7327 3.7327 4.6682 4.6682 5.0778 5.0778 6.6033 6.6033 7.9292 7.9292 8.3031 8.3031 8.8765 8.8765 k = 0.3125 0.1804-0.0000 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4814 -37.4814 -37.1979 -37.1979 -37.1967 -37.1967 -37.1933 -37.1933 -37.1918 -37.1918 -3.9637 -3.9637 -3.0580 -3.0580 1.5377 1.5377 1.8720 1.8720 2.6924 2.6924 3.6970 3.6970 4.5898 4.5898 5.0421 5.0421 6.5464 6.5464 7.9015 7.9015 8.2545 8.2545 8.8435 8.8435 k = 0.3250 0.1876-0.0000 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4815 -37.4815 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.9203 -3.9203 -3.0470 -3.0470 1.5426 1.5426 1.8347 1.8347 2.6018 2.6018 3.6634 3.6634 4.5072 4.5072 5.0097 5.0097 6.4933 6.4933 7.8750 7.8750 8.2084 8.2084 8.8119 8.8119 k = 0.3375 0.1949-0.0000 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4815 -37.4815 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.8767 -3.8767 -3.0376 -3.0376 1.5126 1.5126 1.8391 1.8391 2.5158 2.5158 3.6320 3.6320 4.4213 4.4213 4.9803 4.9803 6.4440 6.4440 7.8499 7.8499 8.1651 8.1651 8.7819 8.7819 k = 0.3500 0.2021-0.0000 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.8330 -3.8330 -3.0299 -3.0299 1.4594 1.4594 1.8730 1.8730 2.4352 2.4352 3.6028 3.6028 4.3331 4.3331 4.9535 4.9535 6.3985 6.3985 7.8266 7.8266 8.1245 8.1245 8.7537 8.7537 k = 0.3625 0.2093-0.0000 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.7896 -3.7896 -3.0241 -3.0241 1.3982 1.3982 1.9203 1.9203 2.3611 2.3611 3.5758 3.5758 4.2436 4.2436 4.9292 4.9292 6.3567 6.3567 7.8052 7.8052 8.0868 8.0868 8.7274 8.7274 k = 0.3750 0.2165-0.0000 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4840 -37.4840 -37.4817 -37.4817 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.7468 -3.7468 -3.0204 -3.0204 1.3368 1.3368 1.9714 1.9714 2.2958 2.2958 3.5511 3.5511 4.1536 4.1536 4.9073 4.9073 6.3187 6.3187 7.7858 7.7858 8.0521 8.0521 8.7032 8.7032 k = 0.3875 0.2237-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4818 -37.4818 -37.1980 -37.1980 -37.1966 -37.1966 -37.1934 -37.1934 -37.1918 -37.1918 -3.7050 -3.7050 -3.0186 -3.0186 1.2785 1.2785 2.0171 2.0171 2.2450 2.2450 3.5288 3.5288 4.0640 4.0640 4.8875 4.8875 6.2844 6.2844 7.7685 7.7685 8.0205 8.0205 8.6811 8.6811 k = 0.4000 0.2309-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4818 -37.4818 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.6646 -3.6646 -3.0188 -3.0188 1.2249 1.2249 2.0414 2.0414 2.2230 2.2230 3.5088 3.5088 3.9758 3.9758 4.8699 4.8699 6.2537 6.2537 7.7531 7.7531 7.9919 7.9919 8.6612 8.6612 k = 0.4125 0.2382-0.0000 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4819 -37.4819 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.6261 -3.6261 -3.0209 -3.0209 1.1769 1.1769 2.0309 2.0309 2.2424 2.2424 3.4914 3.4914 3.8901 3.8901 4.8544 4.8544 6.2267 6.2267 7.7398 7.7398 7.9665 7.9665 8.6435 8.6435 k = 0.4250 0.2454-0.0000 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4819 -37.4819 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.5900 -3.5900 -3.0247 -3.0247 1.1349 1.1349 2.0005 2.0005 2.2869 2.2869 3.4764 3.4764 3.8082 3.8082 4.8410 4.8410 6.2033 6.2033 7.7284 7.7284 7.9443 7.9443 8.6281 8.6281 k = 0.4375 0.2526-0.0000 ( 6728 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.5572 -3.5572 -3.0296 -3.0296 1.0991 1.0991 1.9668 1.9668 2.3386 2.3386 3.4641 3.4641 3.7315 3.7315 4.8296 4.8296 6.1835 6.1835 7.7189 7.7189 7.9254 7.9254 8.6150 8.6150 k = 0.4500 0.2598-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.5283 -3.5283 -3.0353 -3.0353 1.0697 1.0697 1.9362 1.9362 2.3895 2.3895 3.4546 3.4546 3.6620 3.6620 4.8203 4.8203 6.1673 6.1673 7.7113 7.7113 7.9098 7.9098 8.6043 8.6043 k = 0.4625 0.2670-0.0000 ( 6710 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.5044 -3.5044 -3.0409 -3.0409 1.0468 1.0468 1.9112 1.9112 2.4350 2.4350 3.4482 3.4482 3.6019 3.6019 4.8131 4.8131 6.1548 6.1548 7.7055 7.7055 7.8977 7.8977 8.5959 8.5959 k = 0.4750 0.2742-0.0000 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4863 -3.4863 -3.0458 -3.0458 1.0304 1.0304 1.8929 1.8929 2.4712 2.4712 3.4451 3.4451 3.5540 3.5540 4.8080 4.8080 6.1458 6.1458 7.7013 7.7013 7.8889 7.8889 8.5899 8.5899 k = 0.4875 0.2815-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4751 -3.4751 -3.0491 -3.0491 1.0206 1.0206 1.8817 1.8817 2.4947 2.4947 3.4452 3.4452 3.5217 3.5217 4.8049 4.8049 6.1404 6.1404 7.6989 7.6989 7.8836 7.8836 8.5863 8.5863 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4712 -3.4712 -3.0503 -3.0503 1.0173 1.0173 1.8779 1.8779 2.5029 2.5029 3.4460 3.4460 3.5099 3.5099 4.8038 4.8038 6.1386 6.1386 7.6981 7.6981 7.8819 7.8819 8.5851 8.5851 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4712 -3.4712 -3.0503 -3.0503 1.0173 1.0173 1.8779 1.8779 2.5029 2.5029 3.4460 3.4460 3.5099 3.5099 4.8038 4.8038 6.1386 6.1386 7.6981 7.6981 7.8819 7.8819 8.5851 8.5851 k = 0.4928 0.3012-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4704 -3.4704 -3.0502 -3.0502 1.0185 1.0185 1.8789 1.8789 2.5041 2.5041 3.4305 3.4305 3.5158 3.5158 4.7934 4.7934 6.1506 6.1506 7.7113 7.7113 7.8609 7.8609 8.6077 8.6077 k = 0.4855 0.3138-0.0000 ( 6710 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4681 -3.4681 -3.0499 -3.0499 1.0221 1.0221 1.8817 1.8817 2.5077 2.5077 3.3926 3.3926 3.5256 3.5256 4.7629 4.7629 6.1856 6.1856 7.7473 7.7473 7.8088 7.8088 8.6684 8.6684 k = 0.4783 0.3263-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4643 -3.4643 -3.0494 -3.0494 1.0279 1.0279 1.8864 1.8864 2.5137 2.5137 3.3398 3.3398 3.5333 3.5333 4.7140 4.7140 6.2412 6.2412 7.7200 7.7200 7.8247 7.8247 8.7530 8.7530 k = 0.4710 0.3389-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1981 -37.1981 -37.1964 -37.1964 -37.1935 -37.1935 -37.1918 -37.1918 -3.4590 -3.4590 -3.0487 -3.0487 1.0361 1.0361 1.8930 1.8930 2.5220 2.5220 3.2753 3.2753 3.5385 3.5385 4.6492 4.6492 6.3131 6.3131 7.6376 7.6376 7.9105 7.9105 8.8504 8.8504 k = 0.4638 0.3514-0.0000 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1981 -37.1981 -37.1964 -37.1964 -37.1936 -37.1936 -37.1918 -37.1918 -3.4521 -3.4521 -3.0480 -3.0480 1.0466 1.0466 1.9012 1.9012 2.5325 2.5325 3.2013 3.2013 3.5414 3.5414 4.5715 4.5715 6.3952 6.3952 7.5561 7.5561 8.0178 8.0178 8.9538 8.9538 k = 0.4565 0.3640-0.0000 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4822 -37.4822 -37.1981 -37.1981 -37.1964 -37.1964 -37.1936 -37.1936 -37.1918 -37.1918 -3.4438 -3.4438 -3.0472 -3.0472 1.0593 1.0593 1.9111 1.9111 2.5449 2.5449 3.1204 3.1204 3.5424 3.5424 4.4838 4.4838 6.4789 6.4789 7.4870 7.4870 8.1419 8.1419 9.0591 9.0591 k = 0.4493 0.3765-0.0000 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4836 -37.4836 -37.4822 -37.4822 -37.1981 -37.1981 -37.1963 -37.1963 -37.1936 -37.1936 -37.1918 -37.1918 -3.4341 -3.4341 -3.0465 -3.0465 1.0741 1.0741 1.9225 1.9225 2.5588 2.5588 3.0353 3.0353 3.5415 3.5415 4.3889 4.3889 6.5516 6.5516 7.4432 7.4432 8.2798 8.2798 9.1638 9.1638 k = 0.4420 0.3891-0.0000 ( 6734 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4836 -37.4836 -37.4822 -37.4822 -37.1982 -37.1982 -37.1963 -37.1963 -37.1937 -37.1937 -37.1917 -37.1917 -3.4231 -3.4231 -3.0459 -3.0459 1.0909 1.0909 1.9352 1.9352 2.5732 2.5732 2.9490 2.9490 3.5387 3.5387 4.2893 4.2893 6.5977 6.5977 7.4399 7.4399 8.4288 8.4288 9.2663 9.2663 k = 0.4348 0.4016-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4822 -37.4822 -37.1982 -37.1982 -37.1962 -37.1962 -37.1937 -37.1937 -37.1917 -37.1917 -3.4107 -3.4107 -3.0455 -3.0455 1.1097 1.1097 1.9489 1.9489 2.5857 2.5857 2.8659 2.8659 3.5335 3.5335 4.1873 4.1873 6.6062 6.6062 7.4877 7.4877 8.5864 8.5864 9.3658 9.3658 k = 0.4275 0.4142-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.3970 -3.3970 -3.0456 -3.0456 1.1301 1.1301 1.9633 1.9633 2.5898 2.5898 2.7943 2.7943 3.5255 3.5255 4.0850 4.0850 6.5791 6.5791 7.5841 7.5841 8.7505 8.7505 9.4615 9.4616 k = 0.4203 0.4267-0.0000 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.3822 -3.3822 -3.0461 -3.0461 1.1521 1.1521 1.9780 1.9780 2.5706 2.5706 2.7506 2.7506 3.5139 3.5139 3.9844 3.9844 6.5277 6.5277 7.7174 7.7174 8.9187 8.9187 9.5534 9.5534 k = 0.4130 0.4393-0.0000 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4823 -37.4823 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.3663 -3.3663 -3.0473 -3.0473 1.1754 1.1754 1.9923 1.9923 2.5205 2.5205 2.7442 2.7442 3.4976 3.4976 3.8878 3.8878 6.4634 6.4634 7.8758 7.8758 9.0886 9.0886 9.6414 9.6414 k = 0.4058 0.4518-0.0000 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.3493 -3.3493 -3.0493 -3.0493 1.1995 1.1995 2.0053 2.0053 2.4557 2.4557 2.7604 2.7604 3.4750 3.4750 3.7976 3.7976 6.3941 6.3941 8.0513 8.0513 9.2575 9.2575 9.7258 9.7258 k = 0.3986 0.4644-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1959 -37.1959 -37.1940 -37.1940 -37.1917 -37.1917 -3.3315 -3.3315 -3.0523 -3.0523 1.2240 1.2240 2.0158 2.0158 2.3904 2.3904 2.7869 2.7869 3.4444 3.4444 3.7165 3.7165 6.3247 6.3247 8.2388 8.2388 9.4216 9.4216 9.8072 9.8072 k = 0.3913 0.4769-0.0000 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1959 -37.1959 -37.1940 -37.1940 -37.1916 -37.1916 -3.3128 -3.3128 -3.0564 -3.0564 1.2484 1.2484 2.0219 2.0219 2.3317 2.3317 2.8188 2.8188 3.4047 3.4047 3.6464 3.6464 6.2581 6.2581 8.4349 8.4349 9.5760 9.5760 9.8868 9.8868 k = 0.3841 0.4895-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1958 -37.1958 -37.1941 -37.1941 -37.1916 -37.1916 -3.2934 -3.2934 -3.0618 -3.0618 1.2720 1.2720 2.0219 2.0219 2.2836 2.2836 2.8543 2.8543 3.3571 3.3571 3.5874 3.5874 6.1966 6.1966 8.6372 8.6372 9.7142 9.7142 9.9657 9.9657 k = 0.3768 0.5020-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1983 -37.1983 -37.1957 -37.1957 -37.1941 -37.1941 -37.1916 -37.1916 -3.2735 -3.2735 -3.0686 -3.0686 1.2939 1.2939 2.0147 2.0147 2.2485 2.2485 2.8922 2.8922 3.3057 3.3057 3.5367 3.5367 6.1416 6.1416 8.8434 8.8434 9.8288 9.8288 10.0439 10.0439 k = 0.3696 0.5146-0.0000 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.2531 -3.2531 -3.0772 -3.0772 1.3132 1.3132 2.0016 2.0016 2.2255 2.2255 2.9316 2.9316 3.2561 3.2561 3.4905 3.4905 6.0940 6.0940 9.0512 9.0512 9.9150 9.9150 10.1162 10.1162 k = 0.3623 0.5271-0.0000 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.2324 -3.2324 -3.0875 -3.0875 1.3290 1.3290 1.9868 1.9868 2.2110 2.2110 2.9709 2.9709 3.2138 3.2138 3.4457 3.4457 6.0545 6.0545 9.2578 9.2578 9.9732 9.9732 10.1715 10.1715 k = 0.3551 0.5397-0.0000 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.2115 -3.2115 -3.0998 -3.0998 1.3407 1.3407 1.9745 1.9745 2.2009 2.2009 3.0071 3.0071 3.1846 3.1846 3.4008 3.4008 6.0237 6.0237 9.4587 9.4587 10.0042 10.0042 10.1993 10.1993 k = 0.3478 0.5522-0.0000 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1907 -3.1907 -3.1142 -3.1142 1.3480 1.3480 1.9674 1.9674 2.1925 2.1925 3.0342 3.0342 3.1747 3.1747 3.3561 3.3561 6.0017 6.0017 9.6460 9.6460 10.0078 10.0078 10.1966 10.1966 k = 0.3406 0.5648-0.0000 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1700 -3.1700 -3.1308 -3.1308 1.3515 1.3515 1.9651 1.9651 2.1858 2.1858 3.0478 3.0478 3.1855 3.1855 3.3155 3.3155 5.9886 5.9886 9.8027 9.8027 9.9875 9.9875 10.1719 10.1719 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1506 -3.1506 -3.1489 -3.1489 1.3523 1.3523 1.9653 1.9653 2.1827 2.1827 3.0513 3.0513 3.1972 3.1972 3.2948 3.2948 5.9843 5.9843 9.8753 9.8753 9.9706 9.9706 10.1524 10.1524 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1506 -3.1506 -3.1489 -3.1489 1.3523 1.3523 1.9653 1.9653 2.1827 2.1827 3.0513 3.0513 3.1972 3.1972 3.2948 3.2948 5.9843 5.9843 9.8753 9.8753 9.9706 9.9706 10.1524 10.1524 k = 0.3261 0.5648-0.0000 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1710 -3.1710 -3.1299 -3.1299 1.3520 1.3520 1.9636 1.9636 2.1872 2.1872 3.0465 3.0465 3.1850 3.1850 3.3169 3.3169 5.9885 5.9885 9.8312 9.8312 9.9541 9.9541 10.1792 10.1792 k = 0.3188 0.5522-0.0000 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1946 -3.1946 -3.1109 -3.1109 1.3522 1.3522 1.9564 1.9564 2.2028 2.2028 3.0248 3.0248 3.1745 3.1745 3.3641 3.3641 6.0009 6.0009 9.7531 9.7531 9.8949 9.8949 10.2224 10.2224 k = 0.3116 0.5397-0.0000 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.2207 -3.2207 -3.0927 -3.0927 1.3541 1.3541 1.9428 1.9428 2.2304 2.2304 2.9819 2.9819 3.1848 3.1848 3.4205 3.4205 6.0212 6.0212 9.6648 9.6648 9.8175 9.8175 10.2462 10.2462 k = 0.3043 0.5271-0.0000 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1984 -37.1984 -37.1956 -37.1956 -37.1942 -37.1942 -37.1916 -37.1916 -3.2491 -3.2491 -3.0756 -3.0756 1.3592 1.3592 1.9245 1.9245 2.2683 2.2683 2.9259 2.9259 3.2117 3.2117 3.4817 3.4817 6.0488 6.0488 9.5724 9.5724 9.7328 9.7328 10.2439 10.2439 k = 0.2971 0.5146-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1983 -37.1983 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.2798 -3.2798 -3.0597 -3.0597 1.3682 1.3682 1.9042 1.9042 2.3137 2.3137 2.8638 2.8638 3.2493 3.2493 3.5464 3.5464 6.0833 6.0833 9.4785 9.4785 9.6446 9.6446 10.2149 10.2149 k = 0.2899 0.5020-0.0000 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.3128 -3.3128 -3.0452 -3.0452 1.3818 1.3818 1.8840 1.8840 2.3635 2.3635 2.8003 2.8003 3.2943 3.2943 3.6138 3.6138 6.1242 6.1242 9.3850 9.3850 9.5549 9.5549 10.1618 10.1618 k = 0.2826 0.4895-0.0000 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1958 -37.1958 -37.1941 -37.1941 -37.1916 -37.1916 -3.3478 -3.3478 -3.0323 -3.0323 1.4004 1.4004 1.8658 1.8658 2.4136 2.4136 2.7398 2.7398 3.3451 3.3451 3.6835 3.6835 6.1712 6.1712 9.2929 9.2929 9.4652 9.4652 10.0924 10.0924 k = 0.2754 0.4769-0.0000 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1958 -37.1958 -37.1940 -37.1940 -37.1916 -37.1916 -3.3848 -3.3848 -3.0211 -3.0211 1.4243 1.4243 1.8508 1.8508 2.4544 2.4544 2.6918 2.6918 3.4004 3.4004 3.7552 3.7552 6.2236 6.2236 9.2031 9.2031 9.3761 9.3761 10.0153 10.0153 k = 0.2681 0.4644-0.0000 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1983 -37.1983 -37.1959 -37.1959 -37.1940 -37.1940 -37.1916 -37.1916 -3.4236 -3.4236 -3.0117 -3.0117 1.4536 1.4536 1.8399 1.8399 2.4649 2.4649 2.6775 2.6775 3.4595 3.4595 3.8288 3.8288 6.2812 6.2812 9.1161 9.1161 9.2884 9.2884 9.9355 9.9355 k = 0.2609 0.4518-0.0000 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4822 -37.4822 -37.1983 -37.1983 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.4639 -3.4639 -3.0043 -3.0043 1.4880 1.4880 1.8337 1.8337 2.4333 2.4333 2.7089 2.7089 3.5218 3.5218 3.9040 3.9040 6.3435 6.3435 9.0323 9.0323 9.2026 9.2026 9.8555 9.8555 k = 0.2536 0.4393-0.0000 ( 6731 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.5057 -3.5057 -2.9988 -2.9988 1.5274 1.5274 1.8328 1.8328 2.3792 2.3792 2.7668 2.7668 3.5869 3.5869 3.9807 3.9807 6.4100 6.4100 8.9523 8.9523 9.1190 9.1190 9.7764 9.7764 k = 0.2464 0.4267-0.0000 ( 6731 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.5487 -3.5487 -2.9953 -2.9953 1.5710 1.5710 1.8374 1.8374 2.3183 2.3183 2.8362 2.8362 3.6542 3.6542 4.0588 4.0588 6.4804 6.4804 8.8765 8.8765 9.0381 9.0381 9.6989 9.6989 k = 0.2391 0.4142-0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4820 -37.4820 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.5927 -3.5927 -2.9939 -2.9939 1.6178 1.6178 1.8478 1.8478 2.2574 2.2574 2.9112 2.9112 3.7235 3.7235 4.1380 4.1380 6.5542 6.5542 8.8052 8.8052 8.9600 8.9600 9.6234 9.6234 k = 0.2319 0.4016-0.0000 ( 6743 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4819 -37.4819 -37.1982 -37.1982 -37.1962 -37.1962 -37.1937 -37.1937 -37.1917 -37.1917 -3.6375 -3.6375 -2.9945 -2.9945 1.6652 1.6652 1.8643 1.8643 2.2006 2.2006 2.9899 2.9899 3.7943 3.7943 4.2181 4.2181 6.6311 6.6311 8.7389 8.7389 8.8850 8.8850 9.5503 9.5503 k = 0.2246 0.3891-0.0000 ( 6749 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4839 -37.4839 -37.4819 -37.4819 -37.1982 -37.1982 -37.1963 -37.1963 -37.1937 -37.1937 -37.1917 -37.1917 -3.6828 -3.6828 -2.9972 -2.9972 1.7085 1.7085 1.8882 1.8882 2.1529 2.1529 3.0710 3.0710 3.8665 3.8665 4.2990 4.2990 6.7105 6.7105 8.6781 8.6781 8.8133 8.8133 9.4797 9.4797 k = 0.2174 0.3765-0.0000 ( 6755 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4840 -37.4840 -37.4818 -37.4818 -37.1981 -37.1981 -37.1963 -37.1963 -37.1936 -37.1936 -37.1918 -37.1918 -3.7286 -3.7286 -3.0018 -3.0018 1.7384 1.7384 1.9221 1.9221 2.1209 2.1209 3.1540 3.1540 3.9395 3.9395 4.3805 4.3805 6.7919 6.7919 8.6232 8.6232 8.7451 8.7451 9.4117 9.4117 k = 0.2101 0.3640-0.0000 ( 6749 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4840 -37.4840 -37.4817 -37.4817 -37.1981 -37.1981 -37.1964 -37.1964 -37.1936 -37.1936 -37.1918 -37.1918 -3.7745 -3.7745 -3.0083 -3.0083 1.7448 1.7448 1.9689 1.9689 2.1124 2.1124 3.2383 3.2383 4.0133 4.0133 4.4623 4.4623 6.8748 6.8748 8.5748 8.5748 8.6806 8.6806 9.3464 9.3464 k = 0.2029 0.3514-0.0000 ( 6749 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1981 -37.1981 -37.1964 -37.1964 -37.1935 -37.1935 -37.1918 -37.1918 -3.8203 -3.8203 -3.0165 -3.0165 1.7258 1.7258 2.0265 2.0265 2.1313 2.1313 3.3236 3.3236 4.0874 4.0874 4.5441 4.5441 6.9584 6.9584 8.5334 8.5334 8.6201 8.6201 9.2837 9.2837 k = 0.1957 0.3389-0.0000 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4816 -37.4816 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.8660 -3.8660 -3.0263 -3.0263 1.6888 1.6888 2.0890 2.0890 2.1763 2.1763 3.4094 3.4094 4.1616 4.1616 4.6258 4.6258 7.0422 7.0422 8.4995 8.4995 8.5639 8.5639 9.2233 9.2233 k = 0.1884 0.3263-0.0000 ( 6759 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4815 -37.4815 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.9113 -3.9113 -3.0376 -3.0376 1.6416 1.6416 2.1524 2.1524 2.2428 2.2428 3.4956 3.4956 4.2356 4.2356 4.7070 4.7070 7.1250 7.1250 8.4723 8.4723 8.5139 8.5139 9.1643 9.1643 k = 0.1812 0.3138-0.0000 ( 6755 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4814 -37.4814 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.9560 -3.9560 -3.0502 -3.0502 1.5896 1.5896 2.2180 2.2180 2.3244 2.3244 3.5816 3.5816 4.3090 4.3090 4.7873 4.7873 7.2060 7.2060 8.4435 8.4435 8.4793 8.4793 9.1055 9.1055 k = 0.1739 0.3012-0.0000 ( 6757 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4813 -37.4813 -37.1980 -37.1980 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -4.0000 -4.0000 -3.0640 -3.0640 1.5357 1.5357 2.2879 2.2879 2.4158 2.4158 3.6673 3.6673 4.3817 4.3817 4.8666 4.8666 7.2841 7.2841 8.4041 8.4041 8.4700 8.4700 9.0444 9.0444 k = 0.1667 0.2887-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4813 -37.4813 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -4.0431 -4.0431 -3.0788 -3.0788 1.4814 1.4814 2.3631 2.3631 2.5140 2.5140 3.7522 3.7522 4.4532 4.4532 4.9445 4.9445 7.3583 7.3583 8.3630 8.3630 8.4782 8.4782 8.9788 8.9788 k = 0.1594 0.2761-0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4812 -37.4812 -37.1979 -37.1979 -37.1966 -37.1966 -37.1932 -37.1932 -37.1918 -37.1918 -4.0853 -4.0853 -3.0943 -3.0943 1.4276 1.4276 2.4438 2.4438 2.6176 2.6176 3.8360 3.8360 4.5233 4.5233 5.0205 5.0205 7.4277 7.4277 8.3236 8.3236 8.5007 8.5007 8.9089 8.9089 k = 0.1522 0.2636-0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4811 -37.4811 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.1263 -4.1263 -3.1105 -3.1105 1.3750 1.3750 2.5299 2.5299 2.7256 2.7256 3.9185 3.9185 4.5917 4.5917 5.0944 5.0944 7.4918 7.4918 8.2863 8.2863 8.5368 8.5368 8.8361 8.8361 k = 0.1449 0.2510-0.0000 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -4.1661 -4.1661 -3.1271 -3.1271 1.3239 1.3239 2.6210 2.6210 2.8376 2.8376 3.9991 3.9991 4.6582 4.6582 5.1659 5.1659 7.5507 7.5507 8.2507 8.2507 8.5852 8.5852 8.7627 8.7627 k = 0.1377 0.2385-0.0000 ( 6733 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.2045 -4.2045 -3.1440 -3.1440 1.2746 1.2746 2.7169 2.7169 2.9529 2.9529 4.0778 4.0778 4.7223 4.7223 5.2345 5.2345 7.6048 7.6048 8.2157 8.2157 8.6315 8.6315 8.7028 8.7028 k = 0.1304 0.2259-0.0000 ( 6733 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4809 -37.4809 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.2415 -4.2415 -3.1610 -3.1610 1.2272 1.2272 2.8173 2.8173 3.0713 3.0713 4.1540 4.1540 4.7840 4.7840 5.3000 5.3000 7.6550 7.6550 8.1806 8.1806 8.5904 8.5904 8.7409 8.7409 k = 0.1232 0.2134-0.0000 ( 6737 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4809 -37.4809 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.2769 -4.2769 -3.1780 -3.1780 1.1820 1.1820 2.9217 2.9217 3.1922 3.1922 4.2276 4.2276 4.8430 4.8430 5.3621 5.3621 7.7024 7.7024 8.1439 8.1439 8.5142 8.5142 8.8232 8.8232 k = 0.1159 0.2008-0.0000 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4808 -37.4808 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.3107 -4.3107 -3.1948 -3.1948 1.1390 1.1390 3.0298 3.0298 3.3153 3.3153 4.2984 4.2984 4.8991 4.8991 5.4205 5.4205 7.7476 7.7476 8.1044 8.1044 8.4345 8.4345 8.9094 8.9094 k = 0.1087 0.1883-0.0000 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4807 -37.4807 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -4.3429 -4.3429 -3.2112 -3.2112 1.0983 1.0983 3.1411 3.1411 3.4399 3.4399 4.3663 4.3663 4.9523 4.9523 5.4750 5.4750 7.7902 7.7902 8.0603 8.0603 8.3548 8.3548 8.9155 8.9155 k = 0.1014 0.1757-0.0000 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4848 -37.4848 -37.4807 -37.4807 -37.1978 -37.1978 -37.1967 -37.1967 -37.1930 -37.1930 -37.1918 -37.1918 -4.3732 -4.3732 -3.2272 -3.2272 1.0600 1.0600 3.2551 3.2551 3.5655 3.5655 4.4311 4.4311 5.0025 5.0025 5.5256 5.5256 7.8278 7.8278 8.0105 8.0105 8.2789 8.2789 8.9229 8.9229 k = 0.0942 0.1632-0.0000 ( 6737 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4017 -4.4017 -3.2426 -3.2426 1.0241 1.0241 3.3712 3.3712 3.6914 3.6914 4.4929 4.4929 5.0498 5.0498 5.5721 5.5721 7.8529 7.8529 7.9534 7.9534 8.2147 8.2147 8.9337 8.9337 k = 0.0870 0.1506-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4283 -4.4283 -3.2573 -3.2573 0.9907 0.9907 3.4887 3.4887 3.8165 3.8165 4.5519 4.5519 5.0942 5.0942 5.6144 5.6144 7.8498 7.8498 7.8885 7.8885 8.1782 8.1782 8.9451 8.9451 k = 0.0797 0.1381-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4530 -4.4530 -3.2712 -3.2712 0.9599 0.9599 3.6067 3.6067 3.9400 3.9400 4.6085 4.6085 5.1362 5.1362 5.6528 5.6528 7.8047 7.8047 7.8161 7.8161 8.1824 8.1824 8.9532 8.9532 k = 0.0725 0.1255-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4756 -4.4756 -3.2842 -3.2842 0.9317 0.9317 3.7242 3.7242 4.0603 4.0603 4.6629 4.6629 5.1761 5.1761 5.6872 5.6872 7.7272 7.7272 7.7349 7.7349 8.2196 8.2196 8.9533 8.9533 k = 0.0652 0.1130-0.0000 ( 6749 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4962 -4.4962 -3.2962 -3.2962 0.9061 0.9061 3.8397 3.8397 4.1761 4.1761 4.7157 4.7157 5.2146 5.2146 5.7177 5.7177 7.6356 7.6356 7.6421 7.6421 8.2752 8.2752 8.9423 8.9423 k = 0.0580 0.1004-0.0000 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5148 -4.5148 -3.3071 -3.3071 0.8831 0.8831 3.9516 3.9516 4.2854 4.2854 4.7670 4.7670 5.2527 5.2527 5.7446 5.7446 7.5335 7.5335 7.5449 7.5449 8.3408 8.3408 8.9212 8.9212 k = 0.0507 0.0879-0.0000 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5312 -4.5312 -3.3169 -3.3169 0.8627 0.8627 4.0576 4.0576 4.3870 4.3870 4.8167 4.8167 5.2916 5.2916 5.7681 5.7681 7.4257 7.4257 7.4460 7.4460 8.4116 8.4116 8.8940 8.8940 k = 0.0435 0.0753-0.0000 ( 6757 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5455 -4.5455 -3.3255 -3.3255 0.8451 0.8451 4.1551 4.1551 4.4798 4.4798 4.8634 4.8634 5.3323 5.3323 5.7886 5.7886 7.3168 7.3168 7.3478 7.3478 8.4844 8.4844 8.8654 8.8654 k = 0.0362 0.0628-0.0000 ( 6765 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5577 -4.5577 -3.3329 -3.3329 0.8301 0.8301 4.2409 4.2409 4.5638 4.5638 4.9049 4.9049 5.3758 5.3758 5.8062 5.8062 7.2102 7.2102 7.2540 7.2540 8.5564 8.5564 8.8386 8.8386 k = 0.0290 0.0502-0.0000 ( 6761 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5676 -4.5676 -3.3390 -3.3390 0.8178 0.8178 4.3124 4.3124 4.6393 4.6393 4.9380 4.9380 5.4212 5.4212 5.8215 5.8215 7.1102 7.1102 7.1686 7.1686 8.6243 8.6243 8.8157 8.8157 k = 0.0217 0.0377-0.0000 ( 6761 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5754 -4.5754 -3.3437 -3.3437 0.8083 0.8083 4.3677 4.3677 4.7059 4.7059 4.9604 4.9604 5.4657 5.4657 5.8347 5.8347 7.0218 7.0218 7.0961 7.0961 8.6842 8.6842 8.7975 8.7975 k = 0.0145 0.0251-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5809 -4.5809 -3.3472 -3.3472 0.8015 0.8015 4.4065 4.4065 4.7611 4.7611 4.9719 4.9719 5.5041 5.5041 5.8456 5.8456 6.9509 6.9509 7.0405 7.0405 8.7320 8.7320 8.7844 8.7844 k = 0.0072 0.0126-0.0000 ( 6745 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5843 -4.5843 -3.3492 -3.3492 0.7974 0.7974 4.4292 4.4292 4.7996 4.7996 4.9748 4.9748 5.5302 5.5302 5.8532 5.8532 6.9045 6.9045 7.0055 7.0055 8.7631 8.7631 8.7767 8.7767 k = 0.0000 0.0000 0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5854 -4.5854 -3.3499 -3.3499 0.7960 0.7960 4.4366 4.4366 4.8139 4.8139 4.9746 4.9746 5.5395 5.5395 5.8560 5.8560 6.8883 6.8883 6.9935 6.9935 8.7729 8.7729 8.7751 8.7751 k = 0.0000 0.0000 0.0000 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5854 -4.5854 -3.3499 -3.3499 0.7960 0.7960 4.4366 4.4366 4.8139 4.8139 4.9746 4.9746 5.5395 5.5395 5.8560 5.8560 6.8883 6.8883 6.9935 6.9935 8.7729 8.7729 8.7751 8.7751 k = 0.0000 0.0000 0.0143 ( 6735 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.5843 -4.5843 -3.3523 -3.3523 0.8008 0.8008 4.4374 4.4374 4.8147 4.8147 4.9719 4.9719 5.5386 5.5386 5.8347 5.8347 6.9076 6.9076 6.9951 6.9951 8.7700 8.7700 8.7720 8.7720 k = 0.0000 0.0000 0.0286 ( 6723 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1929 -37.1929 -37.1917 -37.1917 -4.5810 -4.5810 -3.3596 -3.3596 0.8154 0.8154 4.4398 4.4398 4.8172 4.8172 4.9633 4.9633 5.5358 5.5358 5.7755 5.7755 6.9599 6.9599 7.0005 7.0005 8.7614 8.7614 8.7632 8.7632 k = 0.0000 0.0000 0.0429 ( 6723 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.5755 -4.5755 -3.3715 -3.3715 0.8395 0.8395 4.4437 4.4437 4.8214 4.8214 4.9480 4.9480 5.5312 5.5312 5.6899 5.6899 7.0030 7.0030 7.0415 7.0415 8.7479 8.7479 8.7491 8.7491 k = 0.0000 0.0000 0.0572 ( 6735 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.5679 -4.5679 -3.3879 -3.3879 0.8729 0.8729 4.4491 4.4491 4.8272 4.8272 4.9243 4.9243 5.5249 5.5249 5.5893 5.5893 7.0144 7.0144 7.1303 7.1303 8.7302 8.7302 8.7308 8.7308 k = 0.0000 0.0000 0.0715 ( 6735 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.5581 -4.5581 -3.4085 -3.4085 0.9154 0.9154 4.4561 4.4561 4.8347 4.8347 4.8893 4.8893 5.4839 5.4839 5.5167 5.5167 7.0273 7.0273 7.2257 7.2257 8.7093 8.7093 8.7094 8.7094 k = 0.0000 0.0000 0.0858 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.5461 -4.5461 -3.4331 -3.4331 0.9667 0.9667 4.4646 4.4646 4.8391 4.8391 4.8437 4.8437 5.3825 5.3825 5.5068 5.5068 7.0427 7.0427 7.3214 7.3214 8.6857 8.6857 8.6866 8.6866 k = 0.0000 0.0000 0.1001 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5321 -4.5321 -3.4612 -3.4612 1.0264 1.0264 4.4745 4.4745 4.7693 4.7693 4.8543 4.8543 5.2926 5.2926 5.4951 5.4951 7.0607 7.0607 7.4133 7.4133 8.6610 8.6610 8.6628 8.6628 k = 0.0000 0.0000 0.1144 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.5159 -4.5159 -3.4926 -3.4926 1.0941 1.0941 4.4857 4.4857 4.6776 4.6776 4.8664 4.8664 5.2188 5.2188 5.4818 5.4818 7.0814 7.0814 7.4984 7.4984 8.6361 8.6361 8.6387 8.6387 k = 0.0000 0.0000 0.1287 ( 6747 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4977 -4.4977 -3.5268 -3.5268 1.1694 1.1694 4.4975 4.4975 4.5666 4.5666 4.8800 4.8800 5.1605 5.1605 5.4670 5.4670 7.1046 7.1046 7.5744 7.5744 8.6118 8.6118 8.6151 8.6151 k = 0.0000 0.0000 0.1431 ( 6747 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4775 -4.4775 -3.5633 -3.5633 1.2519 1.2519 4.4366 4.4366 4.5144 4.5144 4.8950 4.8950 5.1143 5.1143 5.4506 5.4506 7.1302 7.1302 7.6397 7.6397 8.5887 8.5887 8.5926 8.5926 k = 0.0000 0.0000 0.1574 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.4554 -4.4554 -3.6019 -3.6019 1.3412 1.3412 4.2997 4.2997 4.5290 4.5290 4.9114 4.9114 5.0761 5.0761 5.4327 5.4327 7.1583 7.1583 7.6930 7.6930 8.5671 8.5671 8.5715 8.5715 k = 0.0000 0.0000 0.1717 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.4313 -4.4313 -3.6421 -3.6421 1.4368 1.4368 4.1554 4.1554 4.5454 4.5454 4.9290 4.9290 5.0430 5.0430 5.4136 5.4136 7.1887 7.1887 7.7336 7.7336 8.5473 8.5473 8.5521 8.5521 k = 0.0000 0.0000 0.1860 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.4054 -4.4054 -3.6835 -3.6835 1.5385 1.5385 4.0069 4.0069 4.5631 4.5631 4.9478 4.9478 5.0129 5.0129 5.3933 5.3933 7.2211 7.2211 7.7614 7.7614 8.5297 8.5297 8.5347 8.5347 k = 0.0000 0.0000 0.2003 ( 6760 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.3778 -4.3778 -3.7258 -3.7258 1.6457 1.6457 3.8561 3.8561 4.5819 4.5819 4.9677 4.9677 4.9846 4.9846 5.3719 5.3719 7.2556 7.2556 7.7768 7.7768 8.5142 8.5142 8.5194 8.5194 k = 0.0000 0.0000 0.2146 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.3486 -4.3486 -3.7685 -3.7685 1.7581 1.7581 3.7041 3.7041 4.6017 4.6017 4.9575 4.9575 4.9885 4.9885 5.3496 5.3496 7.2918 7.2918 7.7807 7.7807 8.5010 8.5010 8.5061 8.5061 k = 0.0000 0.0000 0.2289 ( 6766 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4851 -37.4851 -37.4804 -37.4804 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.3180 -4.3180 -3.8113 -3.8113 1.8754 1.8754 3.5520 3.5520 4.6223 4.6223 4.9311 4.9311 5.0101 5.0101 5.3266 5.3266 7.3294 7.3294 7.7745 7.7745 8.4898 8.4898 8.4949 8.4949 k = 0.0000 0.0000 0.2432 ( 6772 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.2863 -4.2863 -3.8537 -3.8537 1.9973 1.9973 3.4003 3.4003 4.6435 4.6435 4.9052 4.9052 5.0322 5.0322 5.3033 5.3033 7.3681 7.3681 7.7596 7.7596 8.4808 8.4808 8.4857 8.4857 k = 0.0000 0.0000 0.2575 ( 6766 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.2538 -4.2538 -3.8951 -3.8951 2.1234 2.1234 3.2496 3.2496 4.6652 4.6652 4.8800 4.8800 5.0545 5.0545 5.2798 5.2798 7.4074 7.4074 7.7379 7.7379 8.4738 8.4738 8.4785 8.4785 k = 0.0000 0.0000 0.2718 ( 6760 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.2214 -4.2214 -3.9346 -3.9346 2.2534 2.2534 3.1004 3.1004 4.6869 4.6869 4.8557 4.8557 5.0765 5.0765 5.2570 5.2570 7.4463 7.4463 7.7114 7.7114 8.4684 8.4684 8.4729 8.4729 k = 0.0000 0.0000 0.2861 ( 6760 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1909 -4.1909 -3.9702 -3.9702 2.3869 2.3869 2.9531 2.9531 4.7076 4.7076 4.8331 4.8331 5.0971 5.0971 5.2358 5.2358 7.4831 7.4831 7.6828 7.6828 8.4648 8.4648 8.4691 8.4691 k = 0.0000 0.0000 0.3004 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1663 -4.1663 -3.9979 -3.9979 2.5235 2.5235 2.8082 2.8082 4.7250 4.7250 4.8147 4.8147 5.1135 5.1135 5.2190 5.2190 7.5135 7.5135 7.6571 7.6571 8.4626 8.4626 8.4668 8.4668 k = 0.0000 0.0000 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1560 -4.1560 -4.0093 -4.0093 2.6489 2.6489 2.6801 2.6801 4.7328 4.7328 4.8066 4.8066 5.1203 5.1203 5.2121 5.2121 7.5269 7.5269 7.6452 7.6452 8.4619 8.4619 8.4661 8.4661 k = 0.0000 0.0000 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1560 -4.1560 -4.0093 -4.0093 2.6489 2.6489 2.6801 2.6801 4.7328 4.7328 4.8066 4.8066 5.1203 5.1203 5.2121 5.2121 7.5269 7.5269 7.6452 7.6452 8.4619 8.4619 8.4661 8.4661 k = 0.0125 0.0072 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1550 -4.1550 -4.0083 -4.0083 2.6489 2.6489 2.6796 2.6796 4.7278 4.7278 4.8006 4.8006 5.1146 5.1146 5.2049 5.2049 7.5377 7.5377 7.6550 7.6550 8.4499 8.4499 8.4690 8.4690 k = 0.0250 0.0144 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1520 -4.1520 -4.0055 -4.0055 2.6488 2.6488 2.6783 2.6783 4.7126 4.7126 4.7825 4.7825 5.0982 5.0982 5.1843 5.1843 7.5693 7.5693 7.6835 7.6835 8.4116 8.4116 8.4830 8.4830 k = 0.0375 0.0217 0.3147 ( 6740 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1469 -4.1469 -4.0008 -4.0008 2.6485 2.6485 2.6760 2.6760 4.6870 4.6870 4.7522 4.7522 5.0726 5.0726 5.1527 5.1527 7.6182 7.6182 7.7285 7.7285 8.3568 8.3568 8.5063 8.5063 k = 0.0500 0.0289 0.3147 ( 6752 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1398 -4.1398 -3.9943 -3.9943 2.6479 2.6479 2.6725 2.6725 4.6505 4.6505 4.7100 4.7100 5.0400 5.0400 5.1138 5.1138 7.6779 7.6779 7.7867 7.7867 8.2967 8.2967 8.5386 8.5386 k = 0.0625 0.0361 0.3147 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1308 -4.1308 -3.9859 -3.9859 2.6467 2.6467 2.6676 2.6676 4.6026 4.6026 4.6569 4.6569 5.0022 5.0022 5.0712 5.0712 7.7356 7.7356 7.8543 7.8543 8.2466 8.2466 8.5795 8.5795 k = 0.0750 0.0433 0.3147 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1197 -4.1197 -3.9756 -3.9756 2.6442 2.6442 2.6612 2.6612 4.5432 4.5432 4.5950 4.5950 4.9609 4.9609 5.0279 5.0279 7.7675 7.7675 7.9296 7.9296 8.2279 8.2279 8.6285 8.6285 k = 0.0875 0.0505 0.3147 ( 6746 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1067 -4.1067 -3.9636 -3.9636 2.6392 2.6392 2.6535 2.6535 4.4733 4.4733 4.5268 4.5268 4.9172 4.9172 4.9855 4.9855 7.7530 7.7530 8.0096 8.0096 8.2571 8.2571 8.6850 8.6850 k = 0.1000 0.0577 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0918 -4.0918 -3.9499 -3.9499 2.6297 2.6297 2.6455 2.6455 4.3948 4.3948 4.4550 4.4550 4.8722 4.8722 4.9443 4.9443 7.6990 7.6990 8.0840 8.0840 8.3277 8.3277 8.7485 8.7485 k = 0.1125 0.0650 0.3147 ( 6752 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4850 -37.4850 -37.4805 -37.4805 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0751 -4.0751 -3.9344 -3.9344 2.6142 2.6142 2.6374 2.6374 4.3109 4.3109 4.3816 4.3816 4.8268 4.8268 4.9039 4.9039 7.6236 7.6236 8.1383 8.1383 8.4239 8.4239 8.8182 8.8182 k = 0.1250 0.0722 0.3147 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4805 -37.4805 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0564 -4.0564 -3.9172 -3.9172 2.5929 2.5929 2.6274 2.6274 4.2246 4.2246 4.3086 4.3086 4.7814 4.7814 4.8640 4.8640 7.5385 7.5385 8.1618 8.1618 8.5348 8.5348 8.8937 8.8937 k = 0.1375 0.0794 0.3147 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0361 -4.0361 -3.8984 -3.8984 2.5654 2.5654 2.6141 2.6141 4.1387 4.1387 4.2382 4.2382 4.7361 4.7361 4.8244 4.8244 7.4497 7.4497 8.1537 8.1537 8.6535 8.6535 8.9748 8.9748 k = 0.1500 0.0866 0.3147 ( 6752 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4806 -37.4806 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0139 -4.0139 -3.8781 -3.8781 2.5314 2.5314 2.5965 2.5965 4.0558 4.0558 4.1722 4.1722 4.6910 4.6910 4.7849 4.7849 7.3599 7.3599 8.1217 8.1217 8.7746 8.7746 9.0610 9.0610 k = 0.1625 0.0938 0.3147 ( 6758 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9902 -3.9902 -3.8563 -3.8563 2.4900 2.4900 2.5734 2.5734 3.9779 3.9779 4.1123 4.1123 4.6464 4.6464 4.7454 4.7454 7.2708 7.2708 8.0746 8.0746 8.8928 8.8928 9.1507 9.1507 k = 0.1750 0.1010 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9648 -3.9648 -3.8331 -3.8331 2.4411 2.4411 2.5439 2.5439 3.9070 3.9070 4.0598 4.0598 4.6022 4.6022 4.7062 4.7062 7.1834 7.1834 8.0190 8.0190 9.0028 9.0028 9.2420 9.2420 k = 0.1875 0.1083 0.3147 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9379 -3.9379 -3.8086 -3.8086 2.3846 2.3846 2.5072 2.5072 3.8446 3.8446 4.0155 4.0155 4.5586 4.5586 4.6672 4.6672 7.0981 7.0981 7.9592 7.9592 9.0979 9.0979 9.3315 9.3315 k = 0.2000 0.1155 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9096 -3.9096 -3.7828 -3.7828 2.3206 2.3206 2.4628 2.4628 3.7917 3.7917 3.9797 3.9797 4.5158 4.5158 4.6287 4.6287 7.0155 7.0155 7.8978 7.8978 9.1697 9.1697 9.3981 9.3981 k = 0.2125 0.1227 0.3147 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4809 -37.4809 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.8800 -3.8800 -3.7559 -3.7559 2.2498 2.2498 2.4106 2.4106 3.7489 3.7489 3.9522 3.9522 4.4741 4.4741 4.5909 4.5909 6.9359 6.9359 7.8365 7.8365 9.2088 9.2088 9.3709 9.3709 k = 0.2250 0.1299 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4809 -37.4809 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -3.8492 -3.8492 -3.7280 -3.7280 2.1731 2.1731 2.3510 2.3510 3.7162 3.7162 3.9325 3.9325 4.4336 4.4336 4.5539 4.5539 6.8594 6.8594 7.7763 7.7763 9.2029 9.2029 9.2993 9.2993 k = 0.2375 0.1371 0.3147 ( 6728 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -3.8172 -3.8172 -3.6992 -3.6992 2.0915 2.0915 2.2849 2.2849 3.6930 3.6930 3.9198 3.9198 4.3946 4.3946 4.5179 4.5179 6.7862 6.7862 7.7180 7.7180 9.1356 9.1356 9.2358 9.2358 k = 0.2500 0.1443 0.3147 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -3.7844 -3.7844 -3.6697 -3.6697 2.0061 2.0061 2.2133 2.2133 3.6785 3.6785 3.9130 3.9130 4.3573 4.3573 4.4832 4.4832 6.7166 6.7166 7.6619 7.6619 9.0287 9.0287 9.1772 9.1772 k = 0.2625 0.1516 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4811 -37.4811 -37.1978 -37.1978 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.7507 -3.7507 -3.6396 -3.6396 1.9180 1.9180 2.1374 2.1374 3.6718 3.6718 3.9111 3.9111 4.3221 4.3221 4.4500 4.4500 6.6507 6.6507 7.6085 7.6085 8.9099 8.9099 9.1088 9.1088 k = 0.2750 0.1588 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4812 -37.4812 -37.1978 -37.1978 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.7164 -3.7164 -3.6090 -3.6090 1.8283 1.8283 2.0585 2.0585 3.6716 3.6716 3.9129 3.9129 4.2893 4.2893 4.4185 4.4185 6.5885 6.5885 7.5581 7.5581 8.7878 8.7878 9.0312 9.0312 k = 0.2875 0.1660 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4812 -37.4812 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.6816 -3.6816 -3.5783 -3.5783 1.7381 1.7381 1.9780 1.9780 3.6770 3.6770 3.9171 3.9171 4.2593 4.2593 4.3889 4.3889 6.5303 6.5303 7.5106 7.5106 8.6653 8.6653 8.9475 8.9475 k = 0.3000 0.1732 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4813 -37.4813 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.6465 -3.6465 -3.5475 -3.5475 1.6482 1.6482 1.8968 1.8968 3.6868 3.6868 3.9225 3.9225 4.2325 4.2325 4.3617 4.3617 6.4762 6.4762 7.4662 7.4662 8.5442 8.5442 8.8605 8.8605 k = 0.3125 0.1804 0.3147 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4814 -37.4814 -37.1979 -37.1979 -37.1966 -37.1966 -37.1932 -37.1932 -37.1918 -37.1918 -3.6113 -3.6113 -3.5168 -3.5168 1.5595 1.5595 1.8160 1.8160 3.7002 3.7002 3.9276 3.9276 4.2094 4.2094 4.3371 4.3371 6.4263 6.4263 7.4250 7.4250 8.4255 8.4255 8.7720 8.7720 k = 0.3250 0.1876 0.3147 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4814 -37.4814 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.5763 -3.5763 -3.4865 -3.4865 1.4728 1.4728 1.7366 1.7366 3.7161 3.7161 3.9315 3.9315 4.1904 4.1904 4.3156 4.3156 6.3808 6.3808 7.3869 7.3869 8.3102 8.3102 8.6838 8.6838 k = 0.3375 0.1949 0.3147 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4815 -37.4815 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.5417 -3.5417 -3.4569 -3.4569 1.3888 1.3888 1.6593 1.6593 3.7338 3.7338 3.9330 3.9330 4.1755 4.1755 4.2975 4.2975 6.3398 6.3398 7.3517 7.3517 8.1989 8.1989 8.5967 8.5967 k = 0.3500 0.2021 0.3147 ( 6728 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.5078 -3.5078 -3.4282 -3.4282 1.3080 1.3080 1.5849 1.5849 3.7522 3.7522 3.9320 3.9320 4.1644 4.1644 4.2834 4.2834 6.3034 6.3034 7.3193 7.3193 8.0924 8.0924 8.5119 8.5119 k = 0.3625 0.2093 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1980 -37.1980 -37.1966 -37.1966 -37.1934 -37.1934 -37.1918 -37.1918 -3.4747 -3.4747 -3.4006 -3.4006 1.2312 1.2312 1.5139 1.5139 3.7704 3.7704 3.9285 3.9285 4.1567 4.1567 4.2734 4.2734 6.2717 6.2717 7.2893 7.2893 7.9916 7.9916 8.4301 8.4301 k = 0.3750 0.2165 0.3147 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4840 -37.4840 -37.4817 -37.4817 -37.1980 -37.1980 -37.1966 -37.1966 -37.1934 -37.1934 -37.1918 -37.1918 -3.4429 -3.4429 -3.3744 -3.3744 1.1590 1.1590 1.4471 1.4471 3.7875 3.7875 3.9236 3.9236 4.1515 4.1515 4.2674 4.2674 6.2448 6.2448 7.2615 7.2615 7.8973 7.8973 8.3519 8.3519 k = 0.3875 0.2237 0.3147 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4840 -37.4840 -37.4818 -37.4818 -37.1980 -37.1980 -37.1966 -37.1966 -37.1934 -37.1934 -37.1919 -37.1919 -3.4126 -3.4126 -3.3499 -3.3499 1.0917 1.0917 1.3849 1.3849 3.8022 3.8022 3.9183 3.9183 4.1484 4.1484 4.2648 4.2648 6.2226 6.2226 7.2353 7.2353 7.8107 7.8107 8.2781 8.2781 k = 0.4000 0.2309 0.3147 ( 6746 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4819 -37.4819 -37.1980 -37.1980 -37.1966 -37.1966 -37.1934 -37.1934 -37.1918 -37.1918 -3.3840 -3.3840 -3.3274 -3.3274 1.0300 1.0300 1.3279 1.3279 3.8136 3.8136 3.9140 3.9140 4.1476 4.1476 4.2645 4.2645 6.2051 6.2051 7.2102 7.2102 7.7327 7.7327 8.2092 8.2092 k = 0.4125 0.2382 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4819 -37.4819 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.3576 -3.3576 -3.3071 -3.3071 0.9744 0.9744 1.2764 1.2764 3.8208 3.8208 3.9115 3.9115 4.1491 4.1491 4.2654 4.2654 6.1919 6.1919 7.1855 7.1855 7.6644 7.6644 8.1458 8.1458 k = 0.4250 0.2454 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.3335 -3.3335 -3.2893 -3.2893 0.9251 0.9251 1.2309 1.2309 3.8239 3.8239 3.9111 3.9111 4.1531 4.1531 4.2665 4.2665 6.1827 6.1827 7.1609 7.1609 7.6068 7.6068 8.0887 8.0887 k = 0.4375 0.2526 0.3147 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.3121 -3.3121 -3.2742 -3.2742 0.8827 0.8827 1.1917 1.1917 3.8238 3.8238 3.9120 3.9120 4.1594 4.1594 4.2669 4.2669 6.1769 6.1769 7.1365 7.1365 7.5603 7.5603 8.0384 8.0384 k = 0.4500 0.2598 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4820 -37.4820 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2937 -3.2937 -3.2621 -3.2621 0.8475 0.8475 1.1593 1.1593 3.8220 3.8220 3.9133 3.9133 4.1674 4.1674 4.2663 4.2663 6.1739 6.1739 7.1131 7.1131 7.5248 7.5248 7.9958 7.9958 k = 0.4625 0.2670 0.3147 ( 6740 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2785 -3.2785 -3.2531 -3.2531 0.8198 0.8198 1.1337 1.1337 3.8196 3.8196 3.9145 3.9145 4.1761 4.1761 4.2646 4.2646 6.1729 6.1729 7.0921 7.0921 7.4992 7.4992 7.9615 7.9615 k = 0.4750 0.2742 0.3147 ( 6740 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2669 -3.2669 -3.2471 -3.2471 0.7999 0.7999 1.1153 1.1153 3.8175 3.8175 3.9154 3.9154 4.1842 4.1842 4.2621 4.2621 6.1729 6.1729 7.0754 7.0754 7.4823 7.4823 7.9364 7.9364 k = 0.4875 0.2815 0.3147 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2595 -3.2595 -3.2439 -3.2439 0.7878 0.7878 1.1042 1.1042 3.8160 3.8160 3.9159 3.9159 4.1902 4.1902 4.2599 4.2599 6.1733 6.1733 7.0645 7.0645 7.4729 7.4729 7.9210 7.9210 k = 0.5000 0.2887 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2568 -3.2568 -3.2430 -3.2430 0.7838 0.7838 1.1005 1.1005 3.8155 3.8155 3.9160 3.9160 4.1924 4.1924 4.2589 4.2589 6.1735 6.1735 7.0607 7.0607 7.4698 7.4698 7.9158 7.9158 k = 0.5000 0.2887 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2568 -3.2568 -3.2430 -3.2430 0.7838 0.7838 1.1005 1.1005 3.8155 3.8155 3.9160 3.9160 4.1924 4.1924 4.2589 4.2589 6.1735 6.1735 7.0607 7.0607 7.4698 7.4698 7.9158 7.9158 k = 0.4928 0.3012 0.3147 ( 6734 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2563 -3.2563 -3.2425 -3.2425 0.7852 0.7852 1.1015 1.1015 3.7829 3.7829 3.9149 3.9149 4.1888 4.1888 4.2811 4.2811 6.1832 6.1832 7.0648 7.0648 7.4782 7.4782 7.9194 7.9194 k = 0.4855 0.3138 0.3147 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2549 -3.2549 -3.2411 -3.2411 0.7895 0.7895 1.1047 1.1047 3.7106 3.7106 3.8889 3.8889 4.2004 4.2004 4.3235 4.3235 6.2119 6.2119 7.0763 7.0763 7.5037 7.5037 7.9300 7.9300 k = 0.4783 0.3263 0.3147 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2525 -3.2525 -3.2387 -3.2387 0.7965 0.7965 1.1098 1.1098 3.6200 3.6200 3.8319 3.8319 4.2310 4.2310 4.3686 4.3686 6.2583 6.2583 7.0934 7.0934 7.5472 7.5472 7.9480 7.9480 k = 0.4710 0.3389 0.3147 ( 6734 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1981 -37.1981 -37.1964 -37.1964 -37.1935 -37.1935 -37.1918 -37.1918 -3.2492 -3.2492 -3.2354 -3.2354 0.8064 0.8064 1.1171 1.1171 3.5188 3.5188 3.7558 3.7558 4.2692 4.2692 4.4115 4.4115 6.3200 6.3200 7.1141 7.1141 7.6096 7.6096 7.9734 7.9734 k = 0.4638 0.3514 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4822 -37.4822 -37.1981 -37.1981 -37.1964 -37.1964 -37.1936 -37.1936 -37.1918 -37.1918 -3.2451 -3.2451 -3.2312 -3.2312 0.8191 0.8191 1.1263 1.1263 3.4104 3.4104 3.6687 3.6687 4.3081 4.3081 4.4508 4.4508 6.3943 6.3943 7.1366 7.1366 7.6911 7.6911 8.0066 8.0066 k = 0.4565 0.3640 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4822 -37.4822 -37.1981 -37.1981 -37.1964 -37.1964 -37.1936 -37.1936 -37.1918 -37.1918 -3.2401 -3.2401 -3.2263 -3.2263 0.8346 0.8346 1.1374 1.1374 3.2973 3.2973 3.5749 3.5749 4.3452 4.3452 4.4865 4.4865 6.4783 6.4783 7.1596 7.1596 7.7909 7.7909 8.0479 8.0479 k = 0.4493 0.3765 0.3147 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4836 -37.4836 -37.4822 -37.4822 -37.1981 -37.1981 -37.1963 -37.1963 -37.1936 -37.1936 -37.1918 -37.1918 -3.2344 -3.2344 -3.2205 -3.2205 0.8529 0.8529 1.1504 1.1504 3.1810 3.1810 3.4771 3.4771 4.3797 4.3797 4.5189 4.5189 6.5689 6.5689 7.1830 7.1830 7.9074 7.9074 8.0976 8.0976 k = 0.4420 0.3891 0.3147 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4836 -37.4836 -37.4822 -37.4822 -37.1982 -37.1982 -37.1963 -37.1963 -37.1937 -37.1937 -37.1918 -37.1918 -3.2279 -3.2279 -3.2141 -3.2141 0.8739 0.8739 1.1652 1.1652 3.0630 3.0630 3.3769 3.3769 4.4116 4.4116 4.5484 4.5484 6.6631 6.6631 7.2066 7.2066 8.0380 8.0380 8.1561 8.1561 k = 0.4348 0.4016 0.3147 ( 6728 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1982 -37.1982 -37.1962 -37.1962 -37.1937 -37.1937 -37.1917 -37.1917 -3.2208 -3.2208 -3.2071 -3.2071 0.8976 0.8976 1.1815 1.1815 2.9444 2.9444 3.2759 3.2759 4.4412 4.4412 4.5754 4.5754 6.7581 6.7581 7.2307 7.2307 8.1740 8.1740 8.2291 8.2291 k = 0.4275 0.4142 0.3147 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.2132 -3.2132 -3.1996 -3.1996 0.9239 0.9239 1.1994 1.1994 2.8262 2.8262 3.1752 3.1752 4.4688 4.4688 4.6004 4.6004 6.8516 6.8516 7.2553 7.2553 8.2726 8.2726 8.3555 8.3555 k = 0.4203 0.4267 0.3147 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.2051 -3.2051 -3.1917 -3.1917 0.9528 0.9528 1.2185 1.2185 2.7094 2.7094 3.0760 3.0760 4.4947 4.4947 4.6238 4.6238 6.9418 6.9418 7.2806 7.2806 8.3446 8.3446 8.5185 8.5185 k = 0.4130 0.4393 0.3147 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4823 -37.4823 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.1967 -3.1967 -3.1836 -3.1836 0.9842 0.9842 1.2387 1.2387 2.5946 2.5946 2.9792 2.9792 4.5190 4.5190 4.6456 4.6456 7.0274 7.0274 7.3066 7.3066 8.4074 8.4074 8.6917 8.6917 k = 0.4058 0.4518 0.3147 ( 6712 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4824 -37.4824 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.1881 -3.1881 -3.1754 -3.1754 1.0180 1.0180 1.2597 1.2597 2.4826 2.4826 2.8858 2.8858 4.5420 4.5420 4.6662 4.6662 7.1076 7.1076 7.3331 7.3331 8.4548 8.4548 8.8560 8.8560 k = 0.3986 0.4644 0.3147 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1959 -37.1959 -37.1940 -37.1940 -37.1917 -37.1917 -3.1795 -3.1795 -3.1672 -3.1672 1.0540 1.0540 1.2811 1.2811 2.3739 2.3739 2.7969 2.7969 4.5636 4.5636 4.6854 4.6854 7.1820 7.1820 7.3600 7.3600 8.4792 8.4792 8.8275 8.8275 k = 0.3913 0.4769 0.3147 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1959 -37.1959 -37.1941 -37.1941 -37.1916 -37.1916 -3.1709 -3.1709 -3.1591 -3.1591 1.0920 1.0920 1.3027 1.3027 2.2693 2.2693 2.7134 2.7134 4.5839 4.5839 4.7033 4.7033 7.2504 7.2504 7.3870 7.3870 8.4768 8.4768 8.7333 8.7333 k = 0.3841 0.4895 0.3147 ( 6728 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1958 -37.1958 -37.1941 -37.1941 -37.1916 -37.1916 -3.1625 -3.1625 -3.1515 -3.1515 1.1315 1.1315 1.3241 1.3241 2.1694 2.1694 2.6363 2.6363 4.6027 4.6027 4.7198 4.7198 7.3128 7.3128 7.4136 7.4136 8.4506 8.4506 8.6441 8.6441 k = 0.3768 0.5020 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1983 -37.1983 -37.1958 -37.1958 -37.1942 -37.1942 -37.1916 -37.1916 -3.1545 -3.1545 -3.1444 -3.1444 1.1719 1.1719 1.3449 1.3449 2.0748 2.0748 2.5668 2.5668 4.6200 4.6200 4.7348 4.7348 7.3689 7.3689 7.4393 7.4393 8.4080 8.4080 8.5637 8.5637 k = 0.3696 0.5146 0.3147 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.1471 -3.1471 -3.1381 -3.1381 1.2122 1.2122 1.3651 1.3651 1.9866 1.9866 2.5059 2.5059 4.6355 4.6355 4.7480 4.7480 7.4182 7.4182 7.4634 7.4634 8.3575 8.3575 8.4934 8.4934 k = 0.3623 0.5271 0.3147 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.1404 -3.1404 -3.1327 -3.1327 1.2505 1.2505 1.3850 1.3850 1.9058 1.9058 2.4547 2.4547 4.6489 4.6489 4.7593 4.7593 7.4596 7.4596 7.4853 7.4853 8.3066 8.3066 8.4340 8.4340 k = 0.3551 0.5397 0.3147 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1346 -3.1346 -3.1284 -3.1284 1.2839 1.2839 1.4053 1.4053 1.8342 1.8342 2.4141 2.4141 4.6600 4.6600 4.7684 4.7684 7.4911 7.4911 7.5051 7.5051 8.2612 8.2612 8.3866 8.3866 k = 0.3478 0.5522 0.3147 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1299 -3.1299 -3.1255 -3.1255 1.3089 1.3089 1.4263 1.4263 1.7751 1.7751 2.3849 2.3849 4.6683 4.6683 4.7752 4.7752 7.5112 7.5112 7.5222 7.5222 8.2257 8.2257 8.3523 8.3523 k = 0.3406 0.5648 0.3147 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1265 -3.1265 -3.1241 -3.1241 1.3232 1.3232 1.4446 1.4446 1.7340 1.7340 2.3675 2.3675 4.6736 4.6736 4.7794 4.7794 7.5229 7.5229 7.5323 7.5323 8.2036 8.2036 8.3319 8.3319 k = 0.3333 0.5774 0.3147 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1247 -3.1247 -3.1241 -3.1241 1.3275 1.3275 1.4523 1.4523 1.7190 1.7190 2.3618 2.3618 4.6754 4.6754 4.7808 4.7808 7.5283 7.5283 7.5338 7.5338 8.1961 8.1961 8.3252 8.3252 k = 0.3333 0.5774 0.3147 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1247 -3.1247 -3.1241 -3.1241 1.3275 1.3275 1.4523 1.4523 1.7190 1.7190 2.3618 2.3618 4.6754 4.6754 4.7808 4.7808 7.5283 7.5283 7.5338 7.5338 8.1961 8.1961 8.3252 8.3252 k = 0.3261 0.5648 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1267 -3.1267 -3.1240 -3.1240 1.3239 1.3239 1.4448 1.4448 1.7335 1.7335 2.3673 2.3673 4.6735 4.6735 4.7794 4.7794 7.5204 7.5204 7.5360 7.5360 8.2031 8.2031 8.3315 8.3315 k = 0.3188 0.5522 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1309 -3.1309 -3.1253 -3.1253 1.3144 1.3144 1.4273 1.4273 1.7712 1.7712 2.3831 2.3831 4.6675 4.6675 4.7748 4.7748 7.5034 7.5034 7.5393 7.5393 8.2225 8.2225 8.3493 8.3493 k = 0.3116 0.5397 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4831 -37.4831 -37.4827 -37.4827 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1374 -3.1374 -3.1285 -3.1285 1.3011 1.3011 1.4080 1.4080 1.8235 1.8235 2.4082 2.4082 4.6572 4.6572 4.7671 4.7671 7.4820 7.4820 7.5434 7.5434 8.2517 8.2517 8.3770 8.3770 k = 0.3043 0.5271 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.1462 -3.1462 -3.1337 -3.1337 1.2863 1.2863 1.3914 1.3914 1.8847 1.8847 2.4415 2.4415 4.6427 4.6427 4.7561 4.7561 7.4592 7.4592 7.5499 7.5499 8.2882 8.2882 8.4127 8.4127 k = 0.2971 0.5146 0.3147 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4832 -37.4832 -37.4826 -37.4826 -37.1984 -37.1984 -37.1957 -37.1957 -37.1942 -37.1942 -37.1916 -37.1916 -3.1573 -3.1573 -3.1410 -3.1410 1.2722 1.2722 1.3793 1.3793 1.9520 1.9520 2.4819 2.4819 4.6238 4.6238 4.7417 4.7417 7.4373 7.4373 7.5600 7.5600 8.3298 8.3298 8.4550 8.4550 k = 0.2899 0.5020 0.3147 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4833 -37.4833 -37.4825 -37.4825 -37.1983 -37.1983 -37.1957 -37.1957 -37.1941 -37.1941 -37.1916 -37.1916 -3.1709 -3.1709 -3.1504 -3.1504 1.2609 1.2609 1.3722 1.3722 2.0237 2.0237 2.5284 2.5284 4.6009 4.6009 4.7240 4.7240 7.4177 7.4177 7.5747 7.5747 8.3749 8.3749 8.5024 8.5024 k = 0.2826 0.4895 0.3147 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4833 -37.4833 -37.4824 -37.4824 -37.1983 -37.1983 -37.1958 -37.1958 -37.1941 -37.1941 -37.1916 -37.1916 -3.1869 -3.1869 -3.1620 -3.1620 1.2540 1.2540 1.3702 1.3702 2.0990 2.0990 2.5801 2.5801 4.5742 4.5742 4.7030 4.7030 7.4013 7.4013 7.5945 7.5945 8.4222 8.4222 8.5537 8.5537 k = 0.2754 0.4769 0.3147 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4834 -37.4834 -37.4824 -37.4824 -37.1983 -37.1983 -37.1958 -37.1958 -37.1940 -37.1940 -37.1916 -37.1916 -3.2053 -3.2053 -3.1757 -3.1757 1.2524 1.2524 1.3734 1.3734 2.1773 2.1773 2.6363 2.6363 4.5441 4.5441 4.6789 4.6789 7.3887 7.3887 7.6198 7.6198 8.4708 8.4708 8.6077 8.6077 k = 0.2681 0.4644 0.3147 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4823 -37.4823 -37.1983 -37.1983 -37.1959 -37.1959 -37.1940 -37.1940 -37.1916 -37.1916 -3.2261 -3.2261 -3.1917 -3.1917 1.2567 1.2567 1.3819 1.3819 2.2583 2.2583 2.6964 2.6964 4.5111 4.5111 4.6518 4.6518 7.3798 7.3798 7.6505 7.6505 8.5200 8.5200 8.6632 8.6632 k = 0.2609 0.4518 0.3147 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5415 -70.5415 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4835 -37.4835 -37.4822 -37.4822 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.2492 -3.2492 -3.2097 -3.2097 1.2671 1.2671 1.3958 1.3958 2.3416 2.3416 2.7597 2.7597 4.4756 4.4756 4.6221 4.6221 7.3747 7.3747 7.6866 7.6866 8.5692 8.5692 8.7188 8.7188 k = 0.2536 0.4393 0.3147 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5417 -70.5417 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1982 -37.1982 -37.1960 -37.1960 -37.1939 -37.1939 -37.1917 -37.1917 -3.2744 -3.2744 -3.2298 -3.2298 1.2838 1.2838 1.4153 1.4153 2.4270 2.4270 2.8259 2.8259 4.4381 4.4381 4.5901 4.5901 7.3728 7.3728 7.7278 7.7278 8.6183 8.6183 8.7730 8.7730 k = 0.2464 0.4267 0.3147 ( 6712 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1982 -37.1982 -37.1960 -37.1960 -37.1938 -37.1938 -37.1917 -37.1917 -3.3016 -3.3016 -3.2517 -3.2517 1.3067 1.3067 1.4403 1.4403 2.5143 2.5143 2.8945 2.8945 4.3994 4.3994 4.5563 4.5563 7.3737 7.3737 7.7735 7.7735 8.6671 8.6671 8.8235 8.8235 k = 0.2391 0.4142 0.3147 ( 6718 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4820 -37.4820 -37.1982 -37.1982 -37.1961 -37.1961 -37.1938 -37.1938 -37.1917 -37.1917 -3.3307 -3.3307 -3.2755 -3.2755 1.3357 1.3357 1.4706 1.4706 2.6032 2.6032 2.9651 2.9651 4.3599 4.3599 4.5211 4.5211 7.3768 7.3768 7.8233 7.8233 8.7158 8.7158 8.8678 8.8678 k = 0.2319 0.4016 0.3147 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4838 -37.4838 -37.4819 -37.4819 -37.1982 -37.1982 -37.1962 -37.1962 -37.1937 -37.1937 -37.1917 -37.1917 -3.3613 -3.3613 -3.3009 -3.3009 1.3706 1.3706 1.5063 1.5063 2.6935 2.6935 3.0373 3.0373 4.3203 4.3203 4.4851 4.4851 7.3815 7.3815 7.8764 7.8764 8.7647 8.7647 8.9028 8.9028 k = 0.2246 0.3891 0.3147 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4818 -37.4818 -37.1981 -37.1981 -37.1962 -37.1962 -37.1936 -37.1936 -37.1917 -37.1917 -3.3935 -3.3935 -3.3277 -3.3277 1.4111 1.4111 1.5472 1.5472 2.7848 2.7848 3.1106 3.1106 4.2811 4.2811 4.4489 4.4489 7.3872 7.3872 7.9320 7.9320 8.8139 8.8139 8.9260 8.9260 k = 0.2174 0.3765 0.3147 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4839 -37.4839 -37.4818 -37.4818 -37.1981 -37.1981 -37.1963 -37.1963 -37.1936 -37.1936 -37.1917 -37.1917 -3.4268 -3.4268 -3.3559 -3.3559 1.4570 1.4570 1.5929 1.5929 2.8770 2.8770 3.1847 3.1847 4.2430 4.2430 4.4131 4.4131 7.3933 7.3933 7.9890 7.9890 8.8626 8.8626 8.9371 8.9371 k = 0.2101 0.3640 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4840 -37.4840 -37.4817 -37.4817 -37.1981 -37.1981 -37.1963 -37.1963 -37.1935 -37.1935 -37.1918 -37.1918 -3.4611 -3.4611 -3.3851 -3.3851 1.5078 1.5078 1.6432 1.6432 2.9694 2.9694 3.2592 3.2592 4.2068 4.2068 4.3785 4.3785 7.3994 7.3994 8.0462 8.0462 8.8999 8.8999 8.9483 8.9483 k = 0.2029 0.3514 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4816 -37.4816 -37.1980 -37.1980 -37.1964 -37.1964 -37.1935 -37.1935 -37.1918 -37.1918 -3.4962 -3.4962 -3.4152 -3.4152 1.5631 1.5631 1.6978 1.6978 3.0618 3.0618 3.3335 3.3335 4.1732 4.1732 4.3458 4.3458 7.4052 7.4052 8.1024 8.1024 8.8979 8.8979 8.9903 8.9903 k = 0.1957 0.3389 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4841 -37.4841 -37.4815 -37.4815 -37.1980 -37.1980 -37.1964 -37.1964 -37.1934 -37.1934 -37.1918 -37.1918 -3.5319 -3.5319 -3.4461 -3.4461 1.6226 1.6226 1.7561 1.7561 3.1534 3.1534 3.4070 3.4070 4.1430 4.1430 4.3159 4.3159 7.4105 7.4105 8.1559 8.1559 8.8751 8.8751 9.0481 9.0481 k = 0.1884 0.3263 0.3147 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4842 -37.4842 -37.4815 -37.4815 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.5680 -3.5680 -3.4775 -3.4775 1.6856 1.6856 1.8178 1.8178 3.2433 3.2433 3.4792 3.4792 4.1173 4.1173 4.2898 4.2898 7.4153 7.4153 8.2053 8.2053 8.8437 8.8437 9.1115 9.1115 k = 0.1812 0.3138 0.3147 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4814 -37.4814 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.6042 -3.6042 -3.5091 -3.5091 1.7518 1.7518 1.8822 1.8822 3.3303 3.3303 3.5495 3.5495 4.0972 4.0972 4.2689 4.2689 7.4198 7.4198 8.2492 8.2492 8.8071 8.8071 9.1772 9.1772 k = 0.1739 0.3012 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4843 -37.4843 -37.4813 -37.4813 -37.1980 -37.1980 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.6403 -3.6403 -3.5410 -3.5410 1.8204 1.8204 1.9488 1.9488 3.4129 3.4129 3.6170 3.6170 4.0842 4.0842 4.2547 4.2547 7.4244 7.4244 8.2869 8.2869 8.7666 8.7666 9.2315 9.2315 k = 0.1667 0.2887 0.3147 ( 6758 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4844 -37.4844 -37.4813 -37.4813 -37.1979 -37.1979 -37.1966 -37.1966 -37.1933 -37.1933 -37.1918 -37.1918 -3.6762 -3.6762 -3.5728 -3.5728 1.8908 1.8908 2.0167 2.0167 3.4891 3.4891 3.6813 3.6813 4.0798 4.0798 4.2488 4.2488 7.4293 7.4293 8.3182 8.3182 8.7233 8.7233 9.2608 9.2608 k = 0.1594 0.2761 0.3147 ( 6758 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4812 -37.4812 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.7117 -3.7117 -3.6043 -3.6043 1.9623 1.9623 2.0851 2.0851 3.5569 3.5569 3.7413 3.7413 4.0861 4.0861 4.2529 4.2529 7.4351 7.4351 8.3439 8.3439 8.6782 8.6782 9.2297 9.2297 k = 0.1522 0.2636 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5419 -70.5419 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4845 -37.4845 -37.4811 -37.4811 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.7466 -3.7466 -3.6355 -3.6355 2.0341 2.0341 2.1532 2.1532 3.6151 3.6151 3.7959 3.7959 4.1050 4.1050 4.2683 4.2683 7.4424 7.4424 8.3654 8.3654 8.6322 8.6322 9.1633 9.1633 k = 0.1449 0.2510 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4811 -37.4811 -37.1979 -37.1979 -37.1967 -37.1967 -37.1932 -37.1932 -37.1918 -37.1918 -3.7808 -3.7808 -3.6662 -3.6662 2.1053 2.1053 2.2197 2.2197 3.6646 3.6646 3.8434 3.8434 4.1385 4.1385 4.2949 4.2949 7.4518 7.4518 8.3843 8.3843 8.5858 8.5858 9.0942 9.0942 k = 0.1377 0.2385 0.3147 ( 6746 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5413 -70.5413 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4846 -37.4846 -37.4810 -37.4810 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -3.8141 -3.8141 -3.6962 -3.6962 2.1750 2.1750 2.2837 2.2837 3.7080 3.7080 3.8834 3.8834 4.1863 4.1863 4.3314 4.3314 7.4640 7.4640 8.4020 8.4020 8.5399 8.5399 9.0251 9.0251 k = 0.1304 0.2259 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4809 -37.4809 -37.1978 -37.1978 -37.1967 -37.1967 -37.1931 -37.1931 -37.1918 -37.1918 -3.8464 -3.8464 -3.7254 -3.7254 2.2422 2.2422 2.3440 2.3440 3.7490 3.7490 3.9181 3.9181 4.2460 4.2460 4.3756 4.3756 7.4795 7.4795 8.4185 8.4185 8.4962 8.4962 8.9561 8.9561 k = 0.1232 0.2134 0.3147 ( 6752 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4809 -37.4809 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.8776 -3.8776 -3.7536 -3.7536 2.3059 2.3059 2.3995 2.3995 3.7913 3.7913 3.9508 3.9508 4.3133 4.3133 4.4251 4.4251 7.4989 7.4989 8.4227 8.4227 8.4673 8.4673 8.8870 8.8870 k = 0.1159 0.2008 0.3147 ( 6760 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4847 -37.4847 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9075 -3.9075 -3.7808 -3.7808 2.3652 2.3652 2.4494 2.4494 3.8376 3.8376 3.9853 3.9853 4.3847 4.3847 4.4778 4.4778 7.5230 7.5230 8.3903 8.3903 8.4784 8.4784 8.8175 8.8175 k = 0.1087 0.1883 0.3147 ( 6762 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4808 -37.4808 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9361 -3.9361 -3.8068 -3.8068 2.4194 2.4194 2.4931 2.4931 3.8898 3.8898 4.0238 4.0238 4.4574 4.4574 4.5322 4.5322 7.5521 7.5521 8.3469 8.3469 8.5042 8.5042 8.7473 8.7473 k = 0.1014 0.1757 0.3147 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4848 -37.4848 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1931 -37.1931 -37.1918 -37.1918 -3.9632 -3.9632 -3.8316 -3.8316 2.4679 2.4679 2.5302 2.5302 3.9489 3.9489 4.0680 4.0680 4.5293 4.5293 4.5869 4.5869 7.5867 7.5867 8.3015 8.3015 8.5348 8.5348 8.6773 8.6773 k = 0.0942 0.1632 0.3147 ( 6748 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4807 -37.4807 -37.1978 -37.1978 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -3.9888 -3.9888 -3.8550 -3.8550 2.5103 2.5103 2.5608 2.5608 4.0149 4.0149 4.1186 4.1186 4.5989 4.5989 4.6416 4.6416 7.6270 7.6270 8.2549 8.2549 8.5569 8.5569 8.6189 8.6189 k = 0.0870 0.1506 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4806 -37.4806 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0128 -4.0128 -3.8770 -3.8770 2.5465 2.5465 2.5854 2.5854 4.0872 4.0872 4.1756 4.1756 4.6647 4.6647 4.6961 4.6961 7.6732 7.6732 8.2067 8.2067 8.5097 8.5097 8.6328 8.6328 k = 0.0797 0.1381 0.3147 ( 6736 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4849 -37.4849 -37.4806 -37.4806 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0351 -4.0351 -3.8975 -3.8975 2.5769 2.5769 2.6046 2.6046 4.1646 4.1646 4.2383 4.2383 4.7251 4.7251 4.7513 4.7513 7.7249 7.7249 8.1560 8.1560 8.4333 8.4333 8.6785 8.6785 k = 0.0725 0.1255 0.3147 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5420 -70.5420 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4849 -37.4849 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0556 -4.0556 -3.9165 -3.9165 2.6018 2.6018 2.6192 2.6192 4.2451 4.2451 4.3057 4.3057 4.7792 4.7792 4.8076 4.8076 7.7812 7.7812 8.1019 8.1019 8.3524 8.3524 8.7319 8.7319 k = 0.0652 0.1130 0.3147 ( 6742 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0744 -4.0744 -3.9338 -3.9338 2.6214 2.6214 2.6303 2.6303 4.3264 4.3264 4.3766 4.3766 4.8287 4.8287 4.8634 4.8634 7.8397 7.8397 8.0434 8.0434 8.2712 8.2712 8.7895 8.7895 k = 0.0580 0.1004 0.3147 ( 6746 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.0913 -4.0913 -3.9494 -3.9494 2.6347 2.6347 2.6404 2.6404 4.4056 4.4056 4.4493 4.4493 4.8751 4.8751 4.9175 4.9175 7.8931 7.8931 7.9810 7.9810 8.1969 8.1969 8.8280 8.8280 k = 0.0507 0.0879 0.3147 ( 6746 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4805 -37.4805 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1063 -4.1063 -3.9633 -3.9633 2.6411 2.6411 2.6514 2.6514 4.4795 4.4795 4.5220 4.5220 4.9195 4.9195 4.9695 4.9695 7.8971 7.8971 7.9394 7.9394 8.1499 8.1499 8.7452 8.7452 k = 0.0435 0.0753 0.3147 ( 6754 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4850 -37.4850 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1194 -4.1194 -3.9754 -3.9754 2.6447 2.6447 2.6605 2.6605 4.5459 4.5459 4.5917 4.5917 4.9620 4.9620 5.0195 5.0195 7.8290 7.8290 7.9118 7.9118 8.1621 8.1621 8.6632 8.6632 k = 0.0362 0.0628 0.3147 ( 6762 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1305 -4.1305 -3.9857 -3.9857 2.6468 2.6468 2.6674 2.6674 4.6031 4.6031 4.6551 4.6551 5.0024 5.0024 5.0674 5.0674 7.7545 7.7545 7.8525 7.8525 8.2176 8.2176 8.5970 8.5970 k = 0.0290 0.0502 0.3147 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5412 -70.5412 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1397 -4.1397 -3.9941 -3.9941 2.6480 2.6480 2.6724 2.6724 4.6503 4.6503 4.7091 4.7091 5.0397 5.0397 5.1123 5.1123 7.6828 7.6828 7.7875 7.7875 8.2861 8.2861 8.5461 8.5461 k = 0.0217 0.0377 0.3147 ( 6740 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4804 -37.4804 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1918 -37.1918 -4.1468 -4.1468 -4.0008 -4.0008 2.6485 2.6485 2.6760 2.6760 4.6867 4.6867 4.7518 4.7518 5.0723 5.0723 5.1521 5.1521 7.6195 7.6195 7.7292 7.7292 8.3534 8.3534 8.5088 8.5088 k = 0.0145 0.0251 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1519 -4.1519 -4.0055 -4.0055 2.6488 2.6488 2.6783 2.6783 4.7125 4.7125 4.7823 4.7823 5.0980 5.0980 5.1840 5.1840 7.5697 7.5697 7.6838 7.6838 8.4108 8.4108 8.4836 8.4836 k = 0.0072 0.0126 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1550 -4.1550 -4.0083 -4.0083 2.6489 2.6489 2.6796 2.6796 4.7277 4.7277 4.8005 4.8005 5.1146 5.1146 5.2048 5.2048 7.5378 7.5378 7.6551 7.6551 8.4497 8.4497 8.4691 8.4691 k = 0.0000 0.0000 0.3147 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5421 -70.5421 -70.5411 -70.5411 -38.1970 -38.1970 -37.9101 -37.9101 -37.9066 -37.9066 -37.4851 -37.4851 -37.4803 -37.4803 -37.1977 -37.1977 -37.1968 -37.1968 -37.1930 -37.1930 -37.1917 -37.1917 -4.1560 -4.1560 -4.0093 -4.0093 2.6489 2.6489 2.6801 2.6801 4.7328 4.7328 4.8066 4.8066 5.1203 5.1203 5.2121 5.2121 7.5269 7.5269 7.6452 7.6452 8.4619 8.4619 8.4661 8.4661 k = 0.5000 0.2887 0.3147 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2568 -3.2568 -3.2430 -3.2430 0.7838 0.7838 1.1005 1.1005 3.8155 3.8155 3.9160 3.9160 4.1924 4.1924 4.2589 4.2589 6.1735 6.1735 7.0607 7.0607 7.4698 7.4698 7.9158 7.9158 k = 0.5000 0.2887 0.3004 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2668 -3.2668 -3.2331 -3.2331 0.7837 0.7837 1.1044 1.1044 3.7957 3.7957 3.9270 3.9270 4.1529 4.1529 4.3016 4.3016 6.1619 6.1619 7.0668 7.0668 7.4717 7.4717 7.9345 7.9345 k = 0.5000 0.2887 0.2861 ( 6734 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2815 -3.2815 -3.2188 -3.2188 0.7834 0.7834 1.1158 1.1158 3.7519 3.7519 3.9364 3.9364 4.1090 4.1090 4.3627 4.3627 6.1309 6.1309 7.0779 7.0779 7.4851 7.4851 7.9865 7.9865 k = 0.5000 0.2887 0.2718 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.2965 -3.2965 -3.2042 -3.2042 0.7835 0.7835 1.1344 1.1344 3.6965 3.6965 3.9150 3.9150 4.1003 4.1003 4.4181 4.4181 6.0893 6.0893 7.0795 7.0795 7.5250 7.5250 8.0636 8.0636 k = 0.5000 0.2887 0.2575 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3116 -3.3116 -3.1899 -3.1899 0.7844 0.7844 1.1593 1.1593 3.6320 3.6320 3.8685 3.8685 4.1218 4.1218 4.4628 4.4628 6.0465 6.0465 7.0647 7.0647 7.5971 7.5971 8.1590 8.1590 k = 0.5000 0.2887 0.2432 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3264 -3.3264 -3.1759 -3.1759 0.7866 0.7866 1.1900 1.1900 3.5593 3.5593 3.8168 3.8168 4.1537 4.1537 4.4939 4.4939 6.0106 6.0106 7.0378 7.0378 7.6946 7.6946 8.2682 8.2682 k = 0.5000 0.2887 0.2289 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3409 -3.3409 -3.1624 -3.1624 0.7907 0.7907 1.2257 1.2257 3.4798 3.4798 3.7680 3.7680 4.1860 4.1860 4.5106 4.5106 5.9867 5.9867 7.0061 7.0061 7.8080 7.8080 8.3888 8.3888 k = 0.5000 0.2887 0.2146 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3550 -3.3550 -3.1495 -3.1495 0.7969 0.7969 1.2658 1.2658 3.3953 3.3953 3.7238 3.7238 4.2124 4.2124 4.5151 4.5151 5.9775 5.9775 6.9753 6.9753 7.9291 7.9291 8.5192 8.5192 k = 0.5000 0.2887 0.2003 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3686 -3.3686 -3.1372 -3.1372 0.8054 0.8054 1.3096 1.3096 3.3082 3.3082 3.6841 3.6841 4.2262 4.2262 4.5141 4.5141 5.9827 5.9827 6.9493 6.9493 8.0516 8.0516 8.6586 8.6586 k = 0.5000 0.2887 0.1860 ( 6716 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.3817 -3.3817 -3.1256 -3.1256 0.8163 0.8163 1.3566 1.3566 3.2201 3.2201 3.6483 3.6483 4.2195 4.2195 4.5170 4.5170 5.9994 5.9994 6.9312 6.9312 8.1698 8.1698 8.8063 8.8063 k = 0.5000 0.2887 0.1717 ( 6700 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.3940 -3.3940 -3.1148 -3.1148 0.8296 0.8296 1.4062 1.4062 3.1326 3.1326 3.6160 3.6160 4.1884 4.1884 4.5305 4.5305 6.0237 6.0237 6.9237 6.9237 8.2776 8.2776 8.9615 8.9615 k = 0.5000 0.2887 0.1574 ( 6702 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1934 -37.1934 -37.1918 -37.1918 -3.4057 -3.4057 -3.1046 -3.1046 0.8451 0.8451 1.4578 1.4578 3.0468 3.0468 3.5868 3.5868 4.1364 4.1364 4.5543 4.5543 6.0511 6.0511 6.9289 6.9289 8.3682 8.3682 9.1197 9.1197 k = 0.5000 0.2887 0.1431 ( 6706 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4165 -3.4165 -3.0953 -3.0953 0.8626 0.8626 1.5106 1.5106 2.9640 2.9640 3.5605 3.5605 4.0705 4.0705 4.5843 4.5843 6.0775 6.0775 6.9487 6.9487 8.4348 8.4348 9.0891 9.0891 k = 0.5000 0.2887 0.1287 ( 6702 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4266 -3.4266 -3.0869 -3.0869 0.8816 0.8816 1.5640 1.5640 2.8850 2.8850 3.5370 3.5370 3.9965 3.9965 4.6171 4.6171 6.1001 6.1001 6.9839 6.9839 8.4710 8.4710 9.0002 9.0002 k = 0.5000 0.2887 0.1144 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4357 -3.4357 -3.0792 -3.0792 0.9018 0.9018 1.6170 1.6170 2.8109 2.8109 3.5161 3.5161 3.9191 3.9191 4.6504 4.6504 6.1172 6.1172 7.0343 7.0343 8.4740 8.4740 8.9178 8.9178 k = 0.5000 0.2887 0.1001 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4438 -3.4438 -3.0725 -3.0725 0.9226 0.9226 1.6686 1.6686 2.7427 2.7427 3.4979 3.4979 3.8417 3.8417 4.6824 4.6824 6.1289 6.1289 7.0985 7.0985 8.4452 8.4452 8.8431 8.8431 k = 0.5000 0.2887 0.0858 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4510 -3.4510 -3.0666 -3.0666 0.9432 0.9432 1.7175 1.7175 2.6813 2.6813 3.4823 3.4823 3.7671 3.7671 4.7122 4.7122 6.1358 6.1358 7.1748 7.1748 8.3900 8.3900 8.7768 8.7768 k = 0.5000 0.2887 0.0715 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4571 -3.4571 -3.0616 -3.0616 0.9629 0.9629 1.7624 1.7624 2.6278 2.6278 3.4695 3.4695 3.6979 3.6979 4.7387 4.7387 6.1392 6.1392 7.2607 7.2607 8.3150 8.3150 8.7195 8.7195 k = 0.5000 0.2887 0.0572 ( 6724 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4621 -3.4621 -3.0576 -3.0576 0.9808 0.9808 1.8018 1.8018 2.5832 2.5832 3.4593 3.4593 3.6362 3.6362 4.7614 4.7614 6.1403 6.1403 7.3539 7.3539 8.2263 8.2263 8.6717 8.6717 k = 0.5000 0.2887 0.0429 ( 6730 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4661 -3.4661 -3.0544 -3.0544 0.9960 0.9960 1.8341 1.8341 2.5480 2.5480 3.4521 3.4521 3.5844 3.5844 4.7796 4.7796 6.1401 6.1401 7.4521 7.4521 8.1291 8.1291 8.6341 8.6341 k = 0.5000 0.2887 0.0286 ( 6722 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1971 -38.1971 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4689 -3.4689 -3.0521 -3.0521 1.0076 1.0076 1.8582 1.8582 2.5229 2.5229 3.4478 3.4478 3.5446 3.5446 4.7929 4.7929 6.1395 6.1395 7.5521 7.5521 8.0287 8.0287 8.6070 8.6070 k = 0.5000 0.2887 0.0143 ( 6712 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4837 -37.4837 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4706 -3.4706 -3.0508 -3.0508 1.0148 1.0148 1.8729 1.8729 2.5079 2.5079 3.4462 3.4462 3.5189 3.5189 4.8011 4.8011 6.1389 6.1389 7.6462 7.6462 7.9340 7.9340 8.5906 8.5906 k = 0.5000 0.2887-0.0000 ( 6708 PWs) bands (ev): -71.2576 -71.2576 -70.5418 -70.5418 -70.5414 -70.5414 -38.1970 -38.1970 -37.9101 -37.9101 -37.9067 -37.9067 -37.4836 -37.4836 -37.4821 -37.4821 -37.1980 -37.1980 -37.1965 -37.1965 -37.1935 -37.1935 -37.1918 -37.1918 -3.4712 -3.4712 -3.0503 -3.0503 1.0173 1.0173 1.8779 1.8779 2.5029 2.5029 3.4460 3.4460 3.5099 3.5099 4.8038 4.8038 6.1386 6.1386 7.6981 7.6981 7.8819 7.8819 8.5851 8.5851 k = 0.3333 0.5774-0.0000 ( 6738 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1506 -3.1506 -3.1489 -3.1489 1.3523 1.3523 1.9653 1.9653 2.1827 2.1827 3.0513 3.0513 3.1972 3.1972 3.2948 3.2948 5.9843 5.9843 9.8753 9.8753 9.9706 9.9706 10.1524 10.1524 k = 0.3333 0.5774 0.0143 ( 6726 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1504 -3.1504 -3.1487 -3.1487 1.3535 1.3535 1.9595 1.9595 2.1751 2.1751 3.0540 3.0540 3.2060 3.2060 3.2986 3.2986 5.9913 5.9913 9.8723 9.8723 9.9531 9.9531 10.1349 10.1349 k = 0.3333 0.5774 0.0286 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1501 -3.1501 -3.1484 -3.1484 1.3568 1.3568 1.9426 1.9426 2.1535 2.1535 3.0593 3.0593 3.2318 3.2318 3.3118 3.3118 6.0120 6.0120 9.8609 9.8609 9.9006 9.9006 10.0851 10.0851 k = 0.3333 0.5774 0.0429 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1494 -3.1494 -3.1478 -3.1478 1.3624 1.3624 1.9161 1.9161 2.1202 2.1202 3.0602 3.0602 3.2731 3.2731 3.3394 3.3394 6.0461 6.0461 9.8148 9.8148 9.8297 9.8297 10.0173 10.0173 k = 0.3333 0.5774 0.0572 ( 6711 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4829 -37.4829 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1486 -3.1486 -3.1469 -3.1469 1.3701 1.3701 1.8819 1.8819 2.0786 2.0786 3.0510 3.0510 3.3279 3.3279 3.3843 3.3843 6.0930 6.0930 9.7007 9.7007 9.7545 9.7545 9.9627 9.9627 k = 0.3333 0.5774 0.0715 ( 6711 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4829 -37.4829 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1475 -3.1475 -3.1459 -3.1459 1.3800 1.3800 1.8422 1.8422 2.0314 2.0314 3.0304 3.0304 3.3939 3.3939 3.4458 3.4458 6.1519 6.1519 9.5654 9.5654 9.6316 9.6316 9.9339 9.9339 k = 0.3333 0.5774 0.0858 ( 6720 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1462 -3.1462 -3.1447 -3.1447 1.3919 1.3919 1.7988 1.7988 1.9812 1.9812 3.0000 3.0000 3.4691 3.4691 3.5204 3.5204 6.2220 6.2220 9.4160 9.4160 9.4825 9.4825 9.9160 9.9160 k = 0.3333 0.5774 0.1001 ( 6714 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1447 -3.1447 -3.1433 -3.1433 1.4057 1.4057 1.7533 1.7533 1.9299 1.9299 2.9621 2.9621 3.5516 3.5516 3.6047 3.6047 6.3023 6.3023 9.2583 9.2583 9.3213 9.3213 9.8989 9.8989 k = 0.3333 0.5774 0.1144 ( 6732 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1431 -3.1431 -3.1417 -3.1417 1.4214 1.4214 1.7072 1.7072 1.8788 1.8788 2.9187 2.9187 3.6399 3.6399 3.6959 3.6959 6.3919 6.3919 9.0963 9.0963 9.1548 9.1548 9.8773 9.8773 k = 0.3333 0.5774 0.1287 ( 6729 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1414 -3.1414 -3.1401 -3.1401 1.4387 1.4387 1.6614 1.6614 1.8292 1.8292 2.8713 2.8713 3.7325 3.7325 3.7922 3.7922 6.4900 6.4900 8.9331 8.9331 8.9869 8.9869 9.8469 9.8469 k = 0.3333 0.5774 0.1431 ( 6723 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4828 -37.4828 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1396 -3.1396 -3.1384 -3.1384 1.4574 1.4574 1.6169 1.6169 1.7819 1.7819 2.8212 2.8212 3.8281 3.8281 3.8918 3.8918 6.5958 6.5958 8.7708 8.7708 8.8201 8.8201 9.8038 9.8038 k = 0.3333 0.5774 0.1574 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1378 -3.1378 -3.1366 -3.1366 1.4768 1.4768 1.5742 1.5742 1.7379 1.7379 2.7696 2.7696 3.9255 3.9255 3.9934 3.9934 6.7086 6.7086 8.6114 8.6114 8.6561 8.6561 9.7441 9.7441 k = 0.3333 0.5774 0.1717 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1359 -3.1359 -3.1348 -3.1348 1.4962 1.4962 1.5339 1.5339 1.6983 1.6983 2.7172 2.7172 4.0234 4.0234 4.0956 4.0956 6.8277 6.8277 8.4562 8.4562 8.4966 8.4966 9.6655 9.6655 k = 0.3333 0.5774 0.1860 ( 6744 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1341 -3.1341 -3.1331 -3.1331 1.4965 1.4965 1.5138 1.5138 1.6651 1.6651 2.6650 2.6650 4.1207 4.1207 4.1971 4.1971 6.9525 6.9525 8.3069 8.3069 8.3430 8.3430 9.5678 9.5678 k = 0.3333 0.5774 0.2003 ( 6753 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1324 -3.1324 -3.1314 -3.1314 1.4622 1.4622 1.5256 1.5256 1.6420 1.6420 2.6138 2.6138 4.2158 4.2158 4.2966 4.2966 7.0824 7.0824 8.1650 8.1650 8.1968 8.1968 9.4530 9.4530 k = 0.3333 0.5774 0.2146 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1307 -3.1307 -3.1299 -3.1299 1.4315 1.4315 1.5261 1.5261 1.6344 1.6344 2.5645 2.5645 4.3073 4.3073 4.3923 4.3923 7.2170 7.2170 8.0322 8.0322 8.0599 8.0599 9.3245 9.3245 k = 0.3333 0.5774 0.2289 ( 6747 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1293 -3.1293 -3.1285 -3.1285 1.4044 1.4044 1.5151 1.5151 1.6421 1.6421 2.5180 2.5180 4.3932 4.3932 4.4825 4.4825 7.3555 7.3555 7.9103 7.9103 7.9341 7.9341 9.1856 9.1856 k = 0.3333 0.5774 0.2432 ( 6747 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1279 -3.1279 -3.1272 -3.1272 1.3812 1.3812 1.4993 1.4993 1.6579 1.6579 2.4753 2.4753 4.4717 4.4717 4.5651 4.5651 7.4973 7.4973 7.8014 7.8014 7.8219 7.8219 9.0395 9.0395 k = 0.3333 0.5774 0.2575 ( 6750 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1268 -3.1268 -3.1261 -3.1261 1.3620 1.3620 1.4836 1.4836 1.6760 1.6760 2.4375 2.4375 4.5406 4.5406 4.6378 4.6378 7.6377 7.6377 7.7076 7.7076 7.7297 7.7297 8.8886 8.8886 k = 0.3333 0.5774 0.2718 ( 6747 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1259 -3.1259 -3.1253 -3.1253 1.3470 1.3470 1.4703 1.4703 1.6930 1.6930 2.4059 2.4059 4.5974 4.5974 4.6979 4.6979 7.6313 7.6313 7.6388 7.6388 7.7975 7.7975 8.7350 8.7350 k = 0.3333 0.5774 0.2861 ( 6735 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1253 -3.1253 -3.1246 -3.1246 1.3362 1.3362 1.4604 1.4604 1.7068 1.7068 2.3819 2.3819 4.6400 4.6400 4.7432 4.7432 7.5748 7.5748 7.5819 7.5819 7.9450 7.9450 8.5808 8.5808 k = 0.3333 0.5774 0.3004 ( 6741 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1249 -3.1249 -3.1242 -3.1242 1.3297 1.3297 1.4544 1.4544 1.7159 1.7159 2.3669 2.3669 4.6665 4.6665 4.7713 4.7713 7.5401 7.5401 7.5460 7.5460 8.0924 8.0924 8.4301 8.4301 k = 0.3333 0.5774 0.3147 ( 6756 PWs) bands (ev): -71.2576 -71.2576 -70.5416 -70.5416 -70.5416 -70.5416 -38.1971 -38.1971 -37.9101 -37.9101 -37.9068 -37.9068 -37.4830 -37.4830 -37.4829 -37.4829 -37.1984 -37.1984 -37.1956 -37.1956 -37.1943 -37.1943 -37.1916 -37.1916 -3.1247 -3.1247 -3.1241 -3.1241 1.3275 1.3275 1.4523 1.4523 1.7190 1.7190 2.3618 2.3618 4.6754 4.6754 4.7808 4.7808 7.5283 7.5283 7.5338 7.5338 8.1961 8.1961 8.3252 8.3252 Writing output data file Mg3Sb2.save init_run : 0.39s CPU 0.51s WALL ( 1 calls) electrons : 117.79s CPU 119.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 117.79s CPU 119.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 293 calls) cegterg : 107.62s CPU 108.72s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 63.29s CPU 64.27s WALL ( 6148 calls) s_psi : 2.79s CPU 2.75s WALL ( 6148 calls) g_psi : 0.27s CPU 0.23s WALL ( 5497 calls) cdiaghg : 33.56s CPU 33.73s WALL ( 5790 calls) cegterg:over : 4.82s CPU 4.98s WALL ( 5497 calls) cegterg:upda : 5.69s CPU 5.70s WALL ( 5497 calls) cegterg:last : 2.83s CPU 2.86s WALL ( 935 calls) cdiaghg:chol : 1.90s CPU 1.94s WALL ( 5790 calls) cdiaghg:inve : 1.13s CPU 1.13s WALL ( 5790 calls) cdiaghg:para : 2.10s CPU 2.07s WALL ( 11580 calls) Called by h_psi: h_psi:vloc : 56.24s CPU 57.26s WALL ( 6148 calls) h_psi:vnl : 6.79s CPU 6.75s WALL ( 6148 calls) add_vuspsi : 3.20s CPU 3.26s WALL ( 6148 calls) General routines calbec : 3.54s CPU 3.48s WALL ( 6148 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.26s CPU 53.22s WALL ( 502752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.29s WALL ( 586 calls) Parallel routines fft_scatter : 17.07s CPU 17.42s WALL ( 502775 calls) PWSCF : 2m15.68s CPU 2m26.99s WALL This run was terminated on: 20:45:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=