Program PWSCF v.5.1.1 starts on 16Jul2015 at 13:36:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag2S.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 30 9 1323 1323 207 Max 31 31 13 1332 1332 212 Sum 1485 1485 437 63769 63769 10021 bravais-lattice index = 14 lattice parameter (alat) = 12.9635 a.u. unit-cell volume = 1539.9958 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.963520 celldm(2)= 0.612245 celldm(3)= 1.172474 celldm(4)= 0.174022 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.612245 0.000000 ) a(3) = ( 0.000000 0.204037 1.154584 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.633333 -0.288641 ) b(3) = ( 0.000000 0.000000 0.866113 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0216528), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0433056), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0649585), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.0866113), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.1082641), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1299169), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1515697), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.1732226), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.1948754), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.2165282), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2381810), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.2598339), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.2814867), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.3031395), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.3247923), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.3464451), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.3680980), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.3897508), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.4114036), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 23) = ( 0.0000000 0.0212678 0.4330564), wk = 0.0042373 k( 24) = ( 0.0000000 0.0425356 0.4330564), wk = 0.0042373 k( 25) = ( 0.0000000 0.0638035 0.4330564), wk = 0.0042373 k( 26) = ( 0.0000000 0.0850713 0.4330564), wk = 0.0042373 k( 27) = ( 0.0000000 0.1063391 0.4330564), wk = 0.0042373 k( 28) = ( 0.0000000 0.1276069 0.4330564), wk = 0.0042373 k( 29) = ( 0.0000000 0.1488748 0.4330564), wk = 0.0042373 k( 30) = ( 0.0000000 0.1701426 0.4330564), wk = 0.0042373 k( 31) = ( 0.0000000 0.1914104 0.4330564), wk = 0.0042373 k( 32) = ( 0.0000000 0.2126782 0.4330564), wk = 0.0042373 k( 33) = ( 0.0000000 0.2339460 0.4330564), wk = 0.0042373 k( 34) = ( 0.0000000 0.2552139 0.4330564), wk = 0.0042373 k( 35) = ( 0.0000000 0.2764817 0.4330564), wk = 0.0042373 k( 36) = ( 0.0000000 0.2977495 0.4330564), wk = 0.0042373 k( 37) = ( 0.0000000 0.3190173 0.4330564), wk = 0.0042373 k( 38) = ( 0.0000000 0.3402852 0.4330564), wk = 0.0042373 k( 39) = ( 0.0000000 0.3615530 0.4330564), wk = 0.0042373 k( 40) = ( 0.0000000 0.3828208 0.4330564), wk = 0.0042373 k( 41) = ( 0.0000000 0.4040886 0.4330564), wk = 0.0042373 k( 42) = ( 0.0000000 0.4253564 0.4330564), wk = 0.0042373 k( 43) = ( 0.0000000 0.4466243 0.4330564), wk = 0.0042373 k( 44) = ( 0.0000000 0.4678921 0.4330564), wk = 0.0042373 k( 45) = ( 0.0000000 0.4891599 0.4330564), wk = 0.0042373 k( 46) = ( 0.0000000 0.5104277 0.4330564), wk = 0.0042373 k( 47) = ( 0.0000000 0.5316956 0.4330564), wk = 0.0042373 k( 48) = ( 0.0000000 0.5529634 0.4330564), wk = 0.0042373 k( 49) = ( 0.0000000 0.5742312 0.4330564), wk = 0.0042373 k( 50) = ( 0.0000000 0.5954990 0.4330564), wk = 0.0042373 k( 51) = ( 0.0000000 0.6167668 0.4330564), wk = 0.0042373 k( 52) = ( 0.0000000 0.6380347 0.4330564), wk = 0.0042373 k( 53) = ( 0.0000000 0.6593025 0.4330564), wk = 0.0042373 k( 54) = ( 0.0000000 0.6805703 0.4330564), wk = 0.0042373 k( 55) = ( 0.0000000 0.7018381 0.4330564), wk = 0.0042373 k( 56) = ( 0.0000000 0.7231060 0.4330564), wk = 0.0042373 k( 57) = ( 0.0000000 0.7443738 0.4330564), wk = 0.0042373 k( 58) = ( 0.0000000 0.7656416 0.4330564), wk = 0.0042373 k( 59) = ( 0.0000000 0.7656416 0.4330564), wk = 0.0042373 k( 60) = ( 0.0000000 0.7720197 0.4150164), wk = 0.0042373 k( 61) = ( 0.0000000 0.7783979 0.3969764), wk = 0.0042373 k( 62) = ( 0.0000000 0.7847760 0.3789363), wk = 0.0042373 k( 63) = ( 0.0000000 0.7911541 0.3608963), wk = 0.0042373 k( 64) = ( 0.0000000 0.7975323 0.3428563), wk = 0.0042373 k( 65) = ( 0.0000000 0.8039104 0.3248162), wk = 0.0042373 k( 66) = ( 0.0000000 0.8102885 0.3067762), wk = 0.0042373 k( 67) = ( 0.0000000 0.8166667 0.2887362), wk = 0.0042373 k( 68) = ( 0.0000000 0.8166667 0.2887362), wk = 0.0042373 k( 69) = ( 0.0217391 0.8166667 0.2887362), wk = 0.0042373 k( 70) = ( 0.0434783 0.8166667 0.2887362), wk = 0.0042373 k( 71) = ( 0.0652174 0.8166667 0.2887362), wk = 0.0042373 k( 72) = ( 0.0869565 0.8166667 0.2887362), wk = 0.0042373 k( 73) = ( 0.1086957 0.8166667 0.2887362), wk = 0.0042373 k( 74) = ( 0.1304348 0.8166667 0.2887362), wk = 0.0042373 k( 75) = ( 0.1521739 0.8166667 0.2887362), wk = 0.0042373 k( 76) = ( 0.1739130 0.8166667 0.2887362), wk = 0.0042373 k( 77) = ( 0.1956522 0.8166667 0.2887362), wk = 0.0042373 k( 78) = ( 0.2173913 0.8166667 0.2887362), wk = 0.0042373 k( 79) = ( 0.2391304 0.8166667 0.2887362), wk = 0.0042373 k( 80) = ( 0.2608696 0.8166667 0.2887362), wk = 0.0042373 k( 81) = ( 0.2826087 0.8166667 0.2887362), wk = 0.0042373 k( 82) = ( 0.3043478 0.8166667 0.2887362), wk = 0.0042373 k( 83) = ( 0.3260870 0.8166667 0.2887362), wk = 0.0042373 k( 84) = ( 0.3478261 0.8166667 0.2887362), wk = 0.0042373 k( 85) = ( 0.3695652 0.8166667 0.2887362), wk = 0.0042373 k( 86) = ( 0.3913044 0.8166667 0.2887362), wk = 0.0042373 k( 87) = ( 0.4130435 0.8166667 0.2887362), wk = 0.0042373 k( 88) = ( 0.4347826 0.8166667 0.2887362), wk = 0.0042373 k( 89) = ( 0.4565217 0.8166667 0.2887362), wk = 0.0042373 k( 90) = ( 0.4782609 0.8166667 0.2887362), wk = 0.0042373 k( 91) = ( 0.5000000 0.8166667 0.2887362), wk = 0.0042373 k( 92) = ( 0.5000000 0.8166667 0.2887362), wk = 0.0042373 k( 93) = ( 0.5000000 0.8230448 0.2706961), wk = 0.0042373 k( 94) = ( 0.5000000 0.8294229 0.2526561), wk = 0.0042373 k( 95) = ( 0.5000000 0.8358011 0.2346161), wk = 0.0042373 k( 96) = ( 0.5000000 0.8421792 0.2165760), wk = 0.0042373 k( 97) = ( 0.5000000 0.8485573 0.1985360), wk = 0.0042373 k( 98) = ( 0.5000000 0.8549355 0.1804960), wk = 0.0042373 k( 99) = ( 0.5000000 0.8613136 0.1624559), wk = 0.0042373 k( 100) = ( 0.5000000 0.8676917 0.1444159), wk = 0.0042373 k( 101) = ( 0.5000000 0.8676917 0.1444159), wk = 0.0042373 k( 102) = ( 0.5000000 0.8640471 0.1237919), wk = 0.0042373 k( 103) = ( 0.5000000 0.8604024 0.1031679), wk = 0.0042373 k( 104) = ( 0.5000000 0.8567578 0.0825439), wk = 0.0042373 k( 105) = ( 0.5000000 0.8531131 0.0619199), wk = 0.0042373 k( 106) = ( 0.5000000 0.8494685 0.0412958), wk = 0.0042373 k( 107) = ( 0.5000000 0.8458239 0.0206718), wk = 0.0042373 k( 108) = ( 0.5000000 0.8421792 0.0000478), wk = 0.0042373 k( 109) = ( 0.5000000 0.8385345 -0.0205762), wk = 0.0042373 k( 110) = ( 0.5000000 0.8348899 -0.0412002), wk = 0.0042373 k( 111) = ( 0.5000000 0.8312453 -0.0618242), wk = 0.0042373 k( 112) = ( 0.5000000 0.8276006 -0.0824482), wk = 0.0042373 k( 113) = ( 0.5000000 0.8239560 -0.1030722), wk = 0.0042373 k( 114) = ( 0.5000000 0.8203113 -0.1236963), wk = 0.0042373 k( 115) = ( 0.5000000 0.8166667 -0.1443203), wk = 0.0042373 k( 116) = ( 0.5000000 0.8166667 -0.1443203), wk = 0.0042373 k( 117) = ( 0.4782609 0.8166667 -0.1443203), wk = 0.0042373 k( 118) = ( 0.4565217 0.8166667 -0.1443203), wk = 0.0042373 k( 119) = ( 0.4347826 0.8166667 -0.1443203), wk = 0.0042373 k( 120) = ( 0.4130435 0.8166667 -0.1443203), wk = 0.0042373 k( 121) = ( 0.3913044 0.8166667 -0.1443203), wk = 0.0042373 k( 122) = ( 0.3695652 0.8166667 -0.1443203), wk = 0.0042373 k( 123) = ( 0.3478261 0.8166667 -0.1443203), wk = 0.0042373 k( 124) = ( 0.3260870 0.8166667 -0.1443203), wk = 0.0042373 k( 125) = ( 0.3043478 0.8166667 -0.1443203), wk = 0.0042373 k( 126) = ( 0.2826087 0.8166667 -0.1443203), wk = 0.0042373 k( 127) = ( 0.2608696 0.8166667 -0.1443203), wk = 0.0042373 k( 128) = ( 0.2391304 0.8166667 -0.1443203), wk = 0.0042373 k( 129) = ( 0.2173913 0.8166667 -0.1443203), wk = 0.0042373 k( 130) = ( 0.1956522 0.8166667 -0.1443203), wk = 0.0042373 k( 131) = ( 0.1739130 0.8166667 -0.1443203), wk = 0.0042373 k( 132) = ( 0.1521739 0.8166667 -0.1443203), wk = 0.0042373 k( 133) = ( 0.1304348 0.8166667 -0.1443203), wk = 0.0042373 k( 134) = ( 0.1086957 0.8166667 -0.1443203), wk = 0.0042373 k( 135) = ( 0.0869565 0.8166667 -0.1443203), wk = 0.0042373 k( 136) = ( 0.0652174 0.8166667 -0.1443203), wk = 0.0042373 k( 137) = ( 0.0434783 0.8166667 -0.1443203), wk = 0.0042373 k( 138) = ( 0.0217391 0.8166667 -0.1443203), wk = 0.0042373 k( 139) = ( 0.0000000 0.8166667 -0.1443203), wk = 0.0042373 k( 140) = ( 0.0000000 0.8166667 -0.1443203), wk = 0.0042373 k( 141) = ( 0.0000000 0.8203113 -0.1236963), wk = 0.0042373 k( 142) = ( 0.0000000 0.8239560 -0.1030722), wk = 0.0042373 k( 143) = ( 0.0000000 0.8276006 -0.0824482), wk = 0.0042373 k( 144) = ( 0.0000000 0.8312453 -0.0618242), wk = 0.0042373 k( 145) = ( 0.0000000 0.8348899 -0.0412002), wk = 0.0042373 k( 146) = ( 0.0000000 0.8385345 -0.0205762), wk = 0.0042373 k( 147) = ( 0.0000000 0.8421792 0.0000478), wk = 0.0042373 k( 148) = ( 0.0000000 0.8458239 0.0206718), wk = 0.0042373 k( 149) = ( 0.0000000 0.8494685 0.0412958), wk = 0.0042373 k( 150) = ( 0.0000000 0.8531131 0.0619199), wk = 0.0042373 k( 151) = ( 0.0000000 0.8567578 0.0825439), wk = 0.0042373 k( 152) = ( 0.0000000 0.8604024 0.1031679), wk = 0.0042373 k( 153) = ( 0.0000000 0.8640471 0.1237919), wk = 0.0042373 k( 154) = ( 0.0000000 0.8676917 0.1444159), wk = 0.0042373 k( 155) = ( 0.5000000 0.7656416 0.4330564), wk = 0.0042373 k( 156) = ( 0.5000000 0.7443738 0.4330564), wk = 0.0042373 k( 157) = ( 0.5000000 0.7231060 0.4330564), wk = 0.0042373 k( 158) = ( 0.5000000 0.7018381 0.4330564), wk = 0.0042373 k( 159) = ( 0.5000000 0.6805703 0.4330564), wk = 0.0042373 k( 160) = ( 0.5000000 0.6593025 0.4330564), wk = 0.0042373 k( 161) = ( 0.5000000 0.6380347 0.4330564), wk = 0.0042373 k( 162) = ( 0.5000000 0.6167668 0.4330564), wk = 0.0042373 k( 163) = ( 0.5000000 0.5954990 0.4330564), wk = 0.0042373 k( 164) = ( 0.5000000 0.5742312 0.4330564), wk = 0.0042373 k( 165) = ( 0.5000000 0.5529634 0.4330564), wk = 0.0042373 k( 166) = ( 0.5000000 0.5316956 0.4330564), wk = 0.0042373 k( 167) = ( 0.5000000 0.5104277 0.4330564), wk = 0.0042373 k( 168) = ( 0.5000000 0.4891599 0.4330564), wk = 0.0042373 k( 169) = ( 0.5000000 0.4678921 0.4330564), wk = 0.0042373 k( 170) = ( 0.5000000 0.4466243 0.4330564), wk = 0.0042373 k( 171) = ( 0.5000000 0.4253564 0.4330564), wk = 0.0042373 k( 172) = ( 0.5000000 0.4040886 0.4330564), wk = 0.0042373 k( 173) = ( 0.5000000 0.3828208 0.4330564), wk = 0.0042373 k( 174) = ( 0.5000000 0.3615530 0.4330564), wk = 0.0042373 k( 175) = ( 0.5000000 0.3402852 0.4330564), wk = 0.0042373 k( 176) = ( 0.5000000 0.3190173 0.4330564), wk = 0.0042373 k( 177) = ( 0.5000000 0.2977495 0.4330564), wk = 0.0042373 k( 178) = ( 0.5000000 0.2764817 0.4330564), wk = 0.0042373 k( 179) = ( 0.5000000 0.2552139 0.4330564), wk = 0.0042373 k( 180) = ( 0.5000000 0.2339460 0.4330564), wk = 0.0042373 k( 181) = ( 0.5000000 0.2126782 0.4330564), wk = 0.0042373 k( 182) = ( 0.5000000 0.1914104 0.4330564), wk = 0.0042373 k( 183) = ( 0.5000000 0.1701426 0.4330564), wk = 0.0042373 k( 184) = ( 0.5000000 0.1488748 0.4330564), wk = 0.0042373 k( 185) = ( 0.5000000 0.1276069 0.4330564), wk = 0.0042373 k( 186) = ( 0.5000000 0.1063391 0.4330564), wk = 0.0042373 k( 187) = ( 0.5000000 0.0850713 0.4330564), wk = 0.0042373 k( 188) = ( 0.5000000 0.0638035 0.4330564), wk = 0.0042373 k( 189) = ( 0.5000000 0.0425356 0.4330564), wk = 0.0042373 k( 190) = ( 0.5000000 0.0212678 0.4330564), wk = 0.0042373 k( 191) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 k( 192) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 k( 193) = ( 0.5000000 -0.0000000 0.4114036), wk = 0.0042373 k( 194) = ( 0.5000000 -0.0000000 0.3897508), wk = 0.0042373 k( 195) = ( 0.5000000 -0.0000000 0.3680980), wk = 0.0042373 k( 196) = ( 0.5000000 -0.0000000 0.3464451), wk = 0.0042373 k( 197) = ( 0.5000000 -0.0000000 0.3247923), wk = 0.0042373 k( 198) = ( 0.5000000 -0.0000000 0.3031395), wk = 0.0042373 k( 199) = ( 0.5000000 -0.0000000 0.2814867), wk = 0.0042373 k( 200) = ( 0.5000000 -0.0000000 0.2598339), wk = 0.0042373 k( 201) = ( 0.5000000 -0.0000000 0.2381810), wk = 0.0042373 k( 202) = ( 0.5000000 -0.0000000 0.2165282), wk = 0.0042373 k( 203) = ( 0.5000000 -0.0000000 0.1948754), wk = 0.0042373 k( 204) = ( 0.5000000 -0.0000000 0.1732226), wk = 0.0042373 k( 205) = ( 0.5000000 -0.0000000 0.1515697), wk = 0.0042373 k( 206) = ( 0.5000000 -0.0000000 0.1299169), wk = 0.0042373 k( 207) = ( 0.5000000 -0.0000000 0.1082641), wk = 0.0042373 k( 208) = ( 0.5000000 -0.0000000 0.0866113), wk = 0.0042373 k( 209) = ( 0.5000000 -0.0000000 0.0649585), wk = 0.0042373 k( 210) = ( 0.5000000 -0.0000000 0.0433056), wk = 0.0042373 k( 211) = ( 0.5000000 -0.0000000 0.0216528), wk = 0.0042373 k( 212) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0042373 k( 213) = ( 0.0000000 0.0000000 0.4330564), wk = 0.0042373 k( 214) = ( 0.0217391 -0.0000000 0.4330564), wk = 0.0042373 k( 215) = ( 0.0434783 -0.0000000 0.4330564), wk = 0.0042373 k( 216) = ( 0.0652174 -0.0000000 0.4330564), wk = 0.0042373 k( 217) = ( 0.0869565 -0.0000000 0.4330564), wk = 0.0042373 k( 218) = ( 0.1086957 -0.0000000 0.4330564), wk = 0.0042373 k( 219) = ( 0.1304348 -0.0000000 0.4330564), wk = 0.0042373 k( 220) = ( 0.1521739 -0.0000000 0.4330564), wk = 0.0042373 k( 221) = ( 0.1739130 -0.0000000 0.4330564), wk = 0.0042373 k( 222) = ( 0.1956522 -0.0000000 0.4330564), wk = 0.0042373 k( 223) = ( 0.2173913 -0.0000000 0.4330564), wk = 0.0042373 k( 224) = ( 0.2391304 -0.0000000 0.4330564), wk = 0.0042373 k( 225) = ( 0.2608696 -0.0000000 0.4330564), wk = 0.0042373 k( 226) = ( 0.2826087 -0.0000000 0.4330564), wk = 0.0042373 k( 227) = ( 0.3043478 -0.0000000 0.4330564), wk = 0.0042373 k( 228) = ( 0.3260870 -0.0000000 0.4330564), wk = 0.0042373 k( 229) = ( 0.3478261 -0.0000000 0.4330564), wk = 0.0042373 k( 230) = ( 0.3695652 -0.0000000 0.4330564), wk = 0.0042373 k( 231) = ( 0.3913044 -0.0000000 0.4330564), wk = 0.0042373 k( 232) = ( 0.4130435 -0.0000000 0.4330564), wk = 0.0042373 k( 233) = ( 0.4347826 -0.0000000 0.4330564), wk = 0.0042373 k( 234) = ( 0.4565217 -0.0000000 0.4330564), wk = 0.0042373 k( 235) = ( 0.4782609 -0.0000000 0.4330564), wk = 0.0042373 k( 236) = ( 0.5000000 -0.0000000 0.4330564), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0042373 k( 3) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0042373 k( 4) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0042373 k( 5) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0042373 k( 6) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0042373 k( 7) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0042373 k( 8) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0042373 k( 9) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0042373 k( 10) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0042373 k( 11) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0042373 k( 12) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0042373 k( 13) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0042373 k( 14) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0042373 k( 15) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0042373 k( 16) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0042373 k( 17) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0042373 k( 18) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0042373 k( 19) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0042373 k( 20) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0042373 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 23) = ( 0.0000000 0.0130211 0.5043394), wk = 0.0042373 k( 24) = ( 0.0000000 0.0260422 0.5086788), wk = 0.0042373 k( 25) = ( 0.0000000 0.0390634 0.5130182), wk = 0.0042373 k( 26) = ( 0.0000000 0.0520845 0.5173577), wk = 0.0042373 k( 27) = ( 0.0000000 0.0651056 0.5216971), wk = 0.0042373 k( 28) = ( 0.0000000 0.0781267 0.5260365), wk = 0.0042373 k( 29) = ( 0.0000000 0.0911478 0.5303759), wk = 0.0042373 k( 30) = ( 0.0000000 0.1041689 0.5347153), wk = 0.0042373 k( 31) = ( 0.0000000 0.1171900 0.5390547), wk = 0.0042373 k( 32) = ( 0.0000000 0.1302111 0.5433941), wk = 0.0042373 k( 33) = ( 0.0000000 0.1432323 0.5477336), wk = 0.0042373 k( 34) = ( 0.0000000 0.1562534 0.5520730), wk = 0.0042373 k( 35) = ( 0.0000000 0.1692745 0.5564124), wk = 0.0042373 k( 36) = ( 0.0000000 0.1822956 0.5607518), wk = 0.0042373 k( 37) = ( 0.0000000 0.1953167 0.5650912), wk = 0.0042373 k( 38) = ( 0.0000000 0.2083379 0.5694306), wk = 0.0042373 k( 39) = ( 0.0000000 0.2213590 0.5737700), wk = 0.0042373 k( 40) = ( 0.0000000 0.2343801 0.5781094), wk = 0.0042373 k( 41) = ( 0.0000000 0.2474012 0.5824489), wk = 0.0042373 k( 42) = ( 0.0000000 0.2604223 0.5867883), wk = 0.0042373 k( 43) = ( 0.0000000 0.2734434 0.5911277), wk = 0.0042373 k( 44) = ( 0.0000000 0.2864645 0.5954671), wk = 0.0042373 k( 45) = ( 0.0000000 0.2994857 0.5998065), wk = 0.0042373 k( 46) = ( 0.0000000 0.3125068 0.6041459), wk = 0.0042373 k( 47) = ( 0.0000000 0.3255279 0.6084853), wk = 0.0042373 k( 48) = ( 0.0000000 0.3385490 0.6128247), wk = 0.0042373 k( 49) = ( 0.0000000 0.3515701 0.6171642), wk = 0.0042373 k( 50) = ( 0.0000000 0.3645912 0.6215036), wk = 0.0042373 k( 51) = ( 0.0000000 0.3776124 0.6258430), wk = 0.0042373 k( 52) = ( 0.0000000 0.3906335 0.6301824), wk = 0.0042373 k( 53) = ( 0.0000000 0.4036546 0.6345218), wk = 0.0042373 k( 54) = ( 0.0000000 0.4166757 0.6388612), wk = 0.0042373 k( 55) = ( 0.0000000 0.4296968 0.6432006), wk = 0.0042373 k( 56) = ( 0.0000000 0.4427179 0.6475400), wk = 0.0042373 k( 57) = ( 0.0000000 0.4557390 0.6518795), wk = 0.0042373 k( 58) = ( 0.0000000 0.4687602 0.6562189), wk = 0.0042373 k( 59) = ( 0.0000000 0.4687602 0.6562189), wk = 0.0042373 k( 60) = ( 0.0000000 0.4726651 0.6366915), wk = 0.0042373 k( 61) = ( 0.0000000 0.4765701 0.6171642), wk = 0.0042373 k( 62) = ( 0.0000000 0.4804751 0.5976368), wk = 0.0042373 k( 63) = ( 0.0000000 0.4843801 0.5781094), wk = 0.0042373 k( 64) = ( 0.0000000 0.4882851 0.5585821), wk = 0.0042373 k( 65) = ( 0.0000000 0.4921900 0.5390547), wk = 0.0042373 k( 66) = ( 0.0000000 0.4960950 0.5195274), wk = 0.0042373 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042373 k( 69) = ( 0.0217391 0.5000000 0.5000000), wk = 0.0042373 k( 70) = ( 0.0434783 0.5000000 0.5000000), wk = 0.0042373 k( 71) = ( 0.0652174 0.5000000 0.5000000), wk = 0.0042373 k( 72) = ( 0.0869565 0.5000000 0.5000000), wk = 0.0042373 k( 73) = ( 0.1086957 0.5000000 0.5000000), wk = 0.0042373 k( 74) = ( 0.1304348 0.5000000 0.5000000), wk = 0.0042373 k( 75) = ( 0.1521739 0.5000000 0.5000000), wk = 0.0042373 k( 76) = ( 0.1739130 0.5000000 0.5000000), wk = 0.0042373 k( 77) = ( 0.1956522 0.5000000 0.5000000), wk = 0.0042373 k( 78) = ( 0.2173913 0.5000000 0.5000000), wk = 0.0042373 k( 79) = ( 0.2391304 0.5000000 0.5000000), wk = 0.0042373 k( 80) = ( 0.2608696 0.5000000 0.5000000), wk = 0.0042373 k( 81) = ( 0.2826087 0.5000000 0.5000000), wk = 0.0042373 k( 82) = ( 0.3043478 0.5000000 0.5000000), wk = 0.0042373 k( 83) = ( 0.3260870 0.5000000 0.5000000), wk = 0.0042373 k( 84) = ( 0.3478261 0.5000000 0.5000000), wk = 0.0042373 k( 85) = ( 0.3695652 0.5000000 0.5000000), wk = 0.0042373 k( 86) = ( 0.3913044 0.5000000 0.5000000), wk = 0.0042373 k( 87) = ( 0.4130435 0.5000000 0.5000000), wk = 0.0042373 k( 88) = ( 0.4347826 0.5000000 0.5000000), wk = 0.0042373 k( 89) = ( 0.4565217 0.5000000 0.5000000), wk = 0.0042373 k( 90) = ( 0.4782609 0.5000000 0.5000000), wk = 0.0042373 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 93) = ( 0.5000000 0.5039050 0.4804726), wk = 0.0042373 k( 94) = ( 0.5000000 0.5078100 0.4609453), wk = 0.0042373 k( 95) = ( 0.5000000 0.5117149 0.4414179), wk = 0.0042373 k( 96) = ( 0.5000000 0.5156199 0.4218906), wk = 0.0042373 k( 97) = ( 0.5000000 0.5195249 0.4023632), wk = 0.0042373 k( 98) = ( 0.5000000 0.5234299 0.3828358), wk = 0.0042373 k( 99) = ( 0.5000000 0.5273349 0.3633085), wk = 0.0042373 k( 100) = ( 0.5000000 0.5312398 0.3437811), wk = 0.0042373 k( 101) = ( 0.5000000 0.5312398 0.3437811), wk = 0.0042373 k( 102) = ( 0.5000000 0.5290084 0.3192253), wk = 0.0042373 k( 103) = ( 0.5000000 0.5267770 0.2946695), wk = 0.0042373 k( 104) = ( 0.5000000 0.5245456 0.2701137), wk = 0.0042373 k( 105) = ( 0.5000000 0.5223142 0.2455579), wk = 0.0042373 k( 106) = ( 0.5000000 0.5200828 0.2210021), wk = 0.0042373 k( 107) = ( 0.5000000 0.5178513 0.1964464), wk = 0.0042373 k( 108) = ( 0.5000000 0.5156199 0.1718906), wk = 0.0042373 k( 109) = ( 0.5000000 0.5133885 0.1473348), wk = 0.0042373 k( 110) = ( 0.5000000 0.5111571 0.1227790), wk = 0.0042373 k( 111) = ( 0.5000000 0.5089257 0.0982232), wk = 0.0042373 k( 112) = ( 0.5000000 0.5066943 0.0736674), wk = 0.0042373 k( 113) = ( 0.5000000 0.5044628 0.0491116), wk = 0.0042373 k( 114) = ( 0.5000000 0.5022314 0.0245558), wk = 0.0042373 k( 115) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 116) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042373 k( 117) = ( 0.4782609 0.5000000 0.0000000), wk = 0.0042373 k( 118) = ( 0.4565217 0.5000000 0.0000000), wk = 0.0042373 k( 119) = ( 0.4347826 0.5000000 0.0000000), wk = 0.0042373 k( 120) = ( 0.4130435 0.5000000 0.0000000), wk = 0.0042373 k( 121) = ( 0.3913044 0.5000000 0.0000000), wk = 0.0042373 k( 122) = ( 0.3695652 0.5000000 0.0000000), wk = 0.0042373 k( 123) = ( 0.3478261 0.5000000 -0.0000000), wk = 0.0042373 k( 124) = ( 0.3260870 0.5000000 -0.0000000), wk = 0.0042373 k( 125) = ( 0.3043478 0.5000000 -0.0000000), wk = 0.0042373 k( 126) = ( 0.2826087 0.5000000 -0.0000000), wk = 0.0042373 k( 127) = ( 0.2608696 0.5000000 -0.0000000), wk = 0.0042373 k( 128) = ( 0.2391304 0.5000000 -0.0000000), wk = 0.0042373 k( 129) = ( 0.2173913 0.5000000 -0.0000000), wk = 0.0042373 k( 130) = ( 0.1956522 0.5000000 -0.0000000), wk = 0.0042373 k( 131) = ( 0.1739130 0.5000000 -0.0000000), wk = 0.0042373 k( 132) = ( 0.1521739 0.5000000 0.0000000), wk = 0.0042373 k( 133) = ( 0.1304348 0.5000000 0.0000000), wk = 0.0042373 k( 134) = ( 0.1086957 0.5000000 -0.0000000), wk = 0.0042373 k( 135) = ( 0.0869565 0.5000000 -0.0000000), wk = 0.0042373 k( 136) = ( 0.0652174 0.5000000 -0.0000000), wk = 0.0042373 k( 137) = ( 0.0434783 0.5000000 -0.0000000), wk = 0.0042373 k( 138) = ( 0.0217391 0.5000000 -0.0000000), wk = 0.0042373 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 140) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042373 k( 141) = ( 0.0000000 0.5022314 0.0245558), wk = 0.0042373 k( 142) = ( 0.0000000 0.5044628 0.0491116), wk = 0.0042373 k( 143) = ( 0.0000000 0.5066943 0.0736674), wk = 0.0042373 k( 144) = ( 0.0000000 0.5089257 0.0982232), wk = 0.0042373 k( 145) = ( 0.0000000 0.5111571 0.1227790), wk = 0.0042373 k( 146) = ( 0.0000000 0.5133885 0.1473348), wk = 0.0042373 k( 147) = ( 0.0000000 0.5156199 0.1718906), wk = 0.0042373 k( 148) = ( 0.0000000 0.5178513 0.1964464), wk = 0.0042373 k( 149) = ( 0.0000000 0.5200828 0.2210022), wk = 0.0042373 k( 150) = ( 0.0000000 0.5223142 0.2455580), wk = 0.0042373 k( 151) = ( 0.0000000 0.5245456 0.2701137), wk = 0.0042373 k( 152) = ( 0.0000000 0.5267770 0.2946695), wk = 0.0042373 k( 153) = ( 0.0000000 0.5290084 0.3192253), wk = 0.0042373 k( 154) = ( 0.0000000 0.5312398 0.3437811), wk = 0.0042373 k( 155) = ( 0.5000000 0.4687602 0.6562189), wk = 0.0042373 k( 156) = ( 0.5000000 0.4557390 0.6518795), wk = 0.0042373 k( 157) = ( 0.5000000 0.4427179 0.6475401), wk = 0.0042373 k( 158) = ( 0.5000000 0.4296968 0.6432006), wk = 0.0042373 k( 159) = ( 0.5000000 0.4166757 0.6388612), wk = 0.0042373 k( 160) = ( 0.5000000 0.4036546 0.6345218), wk = 0.0042373 k( 161) = ( 0.5000000 0.3906335 0.6301824), wk = 0.0042373 k( 162) = ( 0.5000000 0.3776124 0.6258430), wk = 0.0042373 k( 163) = ( 0.5000000 0.3645912 0.6215036), wk = 0.0042373 k( 164) = ( 0.5000000 0.3515701 0.6171642), wk = 0.0042373 k( 165) = ( 0.5000000 0.3385490 0.6128247), wk = 0.0042373 k( 166) = ( 0.5000000 0.3255279 0.6084853), wk = 0.0042373 k( 167) = ( 0.5000000 0.3125068 0.6041459), wk = 0.0042373 k( 168) = ( 0.5000000 0.2994857 0.5998065), wk = 0.0042373 k( 169) = ( 0.5000000 0.2864645 0.5954671), wk = 0.0042373 k( 170) = ( 0.5000000 0.2734434 0.5911277), wk = 0.0042373 k( 171) = ( 0.5000000 0.2604223 0.5867883), wk = 0.0042373 k( 172) = ( 0.5000000 0.2474012 0.5824489), wk = 0.0042373 k( 173) = ( 0.5000000 0.2343801 0.5781094), wk = 0.0042373 k( 174) = ( 0.5000000 0.2213590 0.5737700), wk = 0.0042373 k( 175) = ( 0.5000000 0.2083378 0.5694306), wk = 0.0042373 k( 176) = ( 0.5000000 0.1953167 0.5650912), wk = 0.0042373 k( 177) = ( 0.5000000 0.1822956 0.5607518), wk = 0.0042373 k( 178) = ( 0.5000000 0.1692745 0.5564124), wk = 0.0042373 k( 179) = ( 0.5000000 0.1562534 0.5520730), wk = 0.0042373 k( 180) = ( 0.5000000 0.1432323 0.5477336), wk = 0.0042373 k( 181) = ( 0.5000000 0.1302111 0.5433941), wk = 0.0042373 k( 182) = ( 0.5000000 0.1171900 0.5390547), wk = 0.0042373 k( 183) = ( 0.5000000 0.1041689 0.5347153), wk = 0.0042373 k( 184) = ( 0.5000000 0.0911478 0.5303759), wk = 0.0042373 k( 185) = ( 0.5000000 0.0781267 0.5260365), wk = 0.0042373 k( 186) = ( 0.5000000 0.0651056 0.5216971), wk = 0.0042373 k( 187) = ( 0.5000000 0.0520845 0.5173577), wk = 0.0042373 k( 188) = ( 0.5000000 0.0390633 0.5130182), wk = 0.0042373 k( 189) = ( 0.5000000 0.0260422 0.5086788), wk = 0.0042373 k( 190) = ( 0.5000000 0.0130211 0.5043394), wk = 0.0042373 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 192) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 k( 193) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0042373 k( 194) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0042373 k( 195) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0042373 k( 196) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0042373 k( 197) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0042373 k( 198) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0042373 k( 199) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0042373 k( 200) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0042373 k( 201) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0042373 k( 202) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0042373 k( 203) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0042373 k( 204) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0042373 k( 205) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0042373 k( 206) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0042373 k( 207) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0042373 k( 208) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0042373 k( 209) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0042373 k( 210) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0042373 k( 211) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0042373 k( 212) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042373 k( 214) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0042373 k( 215) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0042373 k( 216) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0042373 k( 217) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0042373 k( 218) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0042373 k( 219) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0042373 k( 220) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0042373 k( 221) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0042373 k( 222) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0042373 k( 223) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0042373 k( 224) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0042373 k( 225) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0042373 k( 226) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0042373 k( 227) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0042373 k( 228) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0042373 k( 229) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0042373 k( 230) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0042373 k( 231) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0042373 k( 232) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0042373 k( 233) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0042373 k( 234) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0042373 k( 235) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0042373 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0042373 Dense grid: 63769 G-vectors FFT dimensions: ( 60, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 344, 68) NL pseudopotentials 0.54 Mb ( 172, 204) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1327) G-vector shells 0.01 Mb ( 1243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.43 Mb ( 344, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.42 Mb ( 204, 2, 68) The potential is recalculated from file : ./Ag2S.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 62.8 secs Computing kpt #: 2 total cpu time spent up to now is 66.6 secs Computing kpt #: 3 total cpu time spent up to now is 70.3 secs Computing kpt #: 4 total cpu time spent up to now is 75.1 secs Computing kpt #: 5 total cpu time spent up to now is 80.7 secs Computing kpt #: 6 total cpu time spent up to now is 84.6 secs Computing kpt #: 7 total cpu time spent up to now is 88.5 secs Computing kpt #: 8 total cpu time spent up to now is 92.1 secs Computing kpt #: 9 total cpu time spent up to now is 96.1 secs Computing kpt #: 10 total cpu time spent up to now is 101.4 secs Computing kpt #: 11 total cpu time spent up to now is 107.4 secs Computing kpt #: 12 total cpu time spent up to now is 112.0 secs Computing kpt #: 13 total cpu time spent up to now is 115.7 secs Computing kpt #: 14 total cpu time spent up to now is 118.9 secs Computing kpt #: 15 total cpu time spent up to now is 125.1 secs Computing kpt #: 16 total cpu time spent up to now is 128.6 secs Computing kpt #: 17 total cpu time spent up to now is 131.8 secs Computing kpt #: 18 total cpu time spent up to now is 135.8 secs Computing kpt #: 19 total cpu time spent up to now is 140.5 secs Computing kpt #: 20 total cpu time spent up to now is 145.4 secs Computing kpt #: 21 total cpu time spent up to now is 148.7 secs Computing kpt #: 22 total cpu time spent up to now is 152.4 secs Computing kpt #: 23 total cpu time spent up to now is 157.0 secs Computing kpt #: 24 total cpu time spent up to now is 160.3 secs Computing kpt #: 25 total cpu time spent up to now is 166.5 secs Computing kpt #: 26 total cpu time spent up to now is 170.4 secs Computing kpt #: 27 total cpu time spent up to now is 173.9 secs Computing kpt #: 28 total cpu time spent up to now is 177.4 secs Computing kpt #: 29 total cpu time spent up to now is 181.2 secs Computing kpt #: 30 total cpu time spent up to now is 185.2 secs Computing kpt #: 31 total cpu time spent up to now is 188.9 secs Computing kpt #: 32 total cpu time spent up to now is 193.3 secs Computing kpt #: 33 total cpu time spent up to now is 198.6 secs Computing kpt #: 34 total cpu time spent up to now is 203.1 secs Computing kpt #: 35 total cpu time spent up to now is 206.8 secs Computing kpt #: 36 total cpu time spent up to now is 210.7 secs Computing kpt #: 37 total cpu time spent up to now is 214.7 secs Computing kpt #: 38 total cpu time spent up to now is 217.9 secs Computing kpt #: 39 total cpu time spent up to now is 221.4 secs Computing kpt #: 40 total cpu time spent up to now is 224.5 secs Computing kpt #: 41 total cpu time spent up to now is 227.9 secs Computing kpt #: 42 total cpu time spent up to now is 231.2 secs Computing kpt #: 43 total cpu time spent up to now is 234.3 secs Computing kpt #: 44 total cpu time spent up to now is 238.2 secs Computing kpt #: 45 total cpu time spent up to now is 241.7 secs Computing kpt #: 46 total cpu time spent up to now is 245.4 secs Computing kpt #: 47 total cpu time spent up to now is 248.6 secs Computing kpt #: 48 total cpu time spent up to now is 252.3 secs Computing kpt #: 49 total cpu time spent up to now is 255.7 secs Computing kpt #: 50 total cpu time spent up to now is 258.9 secs Computing kpt #: 51 total cpu time spent up to now is 262.9 secs Computing kpt #: 52 total cpu time spent up to now is 266.8 secs Computing kpt #: 53 total cpu time spent up to now is 270.4 secs Computing kpt #: 54 total cpu time spent up to now is 274.6 secs Computing kpt #: 55 total cpu time spent up to now is 278.3 secs Computing kpt #: 56 total cpu time spent up to now is 282.5 secs Computing kpt #: 57 total cpu time spent up to now is 286.5 secs Computing kpt #: 58 total cpu time spent up to now is 290.3 secs Computing kpt #: 59 total cpu time spent up to now is 294.9 secs Computing kpt #: 60 total cpu time spent up to now is 299.1 secs Computing kpt #: 61 total cpu time spent up to now is 303.0 secs Computing kpt #: 62 total cpu time spent up to now is 307.1 secs Computing kpt #: 63 total cpu time spent up to now is 311.4 secs Computing kpt #: 64 total cpu time spent up to now is 316.3 secs Computing kpt #: 65 total cpu time spent up to now is 320.9 secs Computing kpt #: 66 total cpu time spent up to now is 326.6 secs Computing kpt #: 67 total cpu time spent up to now is 331.5 secs Computing kpt #: 68 total cpu time spent up to now is 336.2 secs Computing kpt #: 69 total cpu time spent up to now is 340.2 secs Computing kpt #: 70 total cpu time spent up to now is 344.6 secs Computing kpt #: 71 total cpu time spent up to now is 348.9 secs Computing kpt #: 72 total cpu time spent up to now is 353.1 secs Computing kpt #: 73 total cpu time spent up to now is 357.5 secs Computing kpt #: 74 total cpu time spent up to now is 361.8 secs Computing kpt #: 75 total cpu time spent up to now is 366.0 secs Computing kpt #: 76 total cpu time spent up to now is 370.2 secs Computing kpt #: 77 total cpu time spent up to now is 374.2 secs Computing kpt #: 78 total cpu time spent up to now is 378.6 secs Computing kpt #: 79 total cpu time spent up to now is 382.4 secs Computing kpt #: 80 total cpu time spent up to now is 386.6 secs Computing kpt #: 81 total cpu time spent up to now is 390.6 secs Computing kpt #: 82 total cpu time spent up to now is 394.6 secs Computing kpt #: 83 total cpu time spent up to now is 398.3 secs Computing kpt #: 84 total cpu time spent up to now is 402.2 secs Computing kpt #: 85 total cpu time spent up to now is 405.9 secs Computing kpt #: 86 total cpu time spent up to now is 410.0 secs Computing kpt #: 87 total cpu time spent up to now is 413.8 secs Computing kpt #: 88 total cpu time spent up to now is 417.9 secs Computing kpt #: 89 total cpu time spent up to now is 421.4 secs Computing kpt #: 90 total cpu time spent up to now is 425.5 secs Computing kpt #: 91 total cpu time spent up to now is 428.8 secs Computing kpt #: 92 total cpu time spent up to now is 432.8 secs Computing kpt #: 93 total cpu time spent up to now is 436.1 secs Computing kpt #: 94 total cpu time spent up to now is 439.4 secs Computing kpt #: 95 total cpu time spent up to now is 442.7 secs Computing kpt #: 96 total cpu time spent up to now is 446.5 secs Computing kpt #: 97 total cpu time spent up to now is 450.3 secs Computing kpt #: 98 total cpu time spent up to now is 453.6 secs Computing kpt #: 99 total cpu time spent up to now is 457.3 secs Computing kpt #: 100 total cpu time spent up to now is 460.6 secs Computing kpt #: 101 total cpu time spent up to now is 464.4 secs Computing kpt #: 102 total cpu time spent up to now is 467.7 secs Computing kpt #: 103 total cpu time spent up to now is 471.1 secs Computing kpt #: 104 total cpu time spent up to now is 474.5 secs Computing kpt #: 105 total cpu time spent up to now is 477.7 secs Computing kpt #: 106 total cpu time spent up to now is 481.1 secs Computing kpt #: 107 total cpu time spent up to now is 484.6 secs Computing kpt #: 108 total cpu time spent up to now is 488.4 secs Computing kpt #: 109 total cpu time spent up to now is 491.6 secs Computing kpt #: 110 total cpu time spent up to now is 495.5 secs Computing kpt #: 111 total cpu time spent up to now is 498.7 secs Computing kpt #: 112 total cpu time spent up to now is 502.4 secs Computing kpt #: 113 total cpu time spent up to now is 505.6 secs Computing kpt #: 114 total cpu time spent up to now is 508.8 secs Computing kpt #: 115 total cpu time spent up to now is 512.1 secs Computing kpt #: 116 total cpu time spent up to now is 515.4 secs Computing kpt #: 117 total cpu time spent up to now is 518.6 secs Computing kpt #: 118 total cpu time spent up to now is 522.0 secs Computing kpt #: 119 total cpu time spent up to now is 525.6 secs Computing kpt #: 120 total cpu time spent up to now is 528.9 secs Computing kpt #: 121 total cpu time spent up to now is 532.1 secs Computing kpt #: 122 total cpu time spent up to now is 535.8 secs Computing kpt #: 123 total cpu time spent up to now is 539.1 secs Computing kpt #: 124 total cpu time spent up to now is 542.4 secs Computing kpt #: 125 total cpu time spent up to now is 545.8 secs Computing kpt #: 126 total cpu time spent up to now is 549.0 secs Computing kpt #: 127 total cpu time spent up to now is 552.6 secs Computing kpt #: 128 total cpu time spent up to now is 556.0 secs Computing kpt #: 129 total cpu time spent up to now is 560.4 secs Computing kpt #: 130 total cpu time spent up to now is 565.1 secs Computing kpt #: 131 total cpu time spent up to now is 568.4 secs Computing kpt #: 132 total cpu time spent up to now is 572.2 secs Computing kpt #: 133 total cpu time spent up to now is 575.8 secs Computing kpt #: 134 total cpu time spent up to now is 579.6 secs Computing kpt #: 135 total cpu time spent up to now is 583.2 secs Computing kpt #: 136 total cpu time spent up to now is 586.8 secs Computing kpt #: 137 total cpu time spent up to now is 590.9 secs Computing kpt #: 138 total cpu time spent up to now is 594.8 secs Computing kpt #: 139 total cpu time spent up to now is 599.1 secs Computing kpt #: 140 total cpu time spent up to now is 603.0 secs Computing kpt #: 141 total cpu time spent up to now is 607.1 secs Computing kpt #: 142 total cpu time spent up to now is 611.1 secs Computing kpt #: 143 total cpu time spent up to now is 614.9 secs Computing kpt #: 144 total cpu time spent up to now is 618.9 secs Computing kpt #: 145 total cpu time spent up to now is 622.7 secs Computing kpt #: 146 total cpu time spent up to now is 626.9 secs Computing kpt #: 147 total cpu time spent up to now is 630.7 secs Computing kpt #: 148 total cpu time spent up to now is 635.0 secs Computing kpt #: 149 total cpu time spent up to now is 638.8 secs Computing kpt #: 150 total cpu time spent up to now is 642.7 secs Computing kpt #: 151 total cpu time spent up to now is 646.5 secs Computing kpt #: 152 total cpu time spent up to now is 650.2 secs Computing kpt #: 153 total cpu time spent up to now is 654.5 secs Computing kpt #: 154 total cpu time spent up to now is 658.3 secs Computing kpt #: 155 total cpu time spent up to now is 661.6 secs Computing kpt #: 156 total cpu time spent up to now is 665.1 secs Computing kpt #: 157 total cpu time spent up to now is 668.4 secs Computing kpt #: 158 total cpu time spent up to now is 672.0 secs Computing kpt #: 159 total cpu time spent up to now is 675.3 secs Computing kpt #: 160 total cpu time spent up to now is 678.5 secs Computing kpt #: 161 total cpu time spent up to now is 681.9 secs Computing kpt #: 162 total cpu time spent up to now is 685.3 secs Computing kpt #: 163 total cpu time spent up to now is 688.9 secs Computing kpt #: 164 total cpu time spent up to now is 692.1 secs Computing kpt #: 165 total cpu time spent up to now is 695.5 secs Computing kpt #: 166 total cpu time spent up to now is 698.8 secs Computing kpt #: 167 total cpu time spent up to now is 702.1 secs Computing kpt #: 168 total cpu time spent up to now is 705.8 secs Computing kpt #: 169 total cpu time spent up to now is 709.9 secs Computing kpt #: 170 total cpu time spent up to now is 713.6 secs Computing kpt #: 171 total cpu time spent up to now is 717.5 secs Computing kpt #: 172 total cpu time spent up to now is 721.3 secs Computing kpt #: 173 total cpu time spent up to now is 725.2 secs Computing kpt #: 174 total cpu time spent up to now is 729.0 secs Computing kpt #: 175 total cpu time spent up to now is 733.6 secs Computing kpt #: 176 total cpu time spent up to now is 737.4 secs Computing kpt #: 177 total cpu time spent up to now is 741.5 secs Computing kpt #: 178 total cpu time spent up to now is 745.2 secs Computing kpt #: 179 total cpu time spent up to now is 749.0 secs Computing kpt #: 180 total cpu time spent up to now is 752.6 secs Computing kpt #: 181 total cpu time spent up to now is 755.9 secs Computing kpt #: 182 total cpu time spent up to now is 759.1 secs Computing kpt #: 183 total cpu time spent up to now is 762.4 secs Computing kpt #: 184 total cpu time spent up to now is 765.7 secs Computing kpt #: 185 total cpu time spent up to now is 768.8 secs Computing kpt #: 186 total cpu time spent up to now is 772.6 secs Computing kpt #: 187 total cpu time spent up to now is 775.7 secs Computing kpt #: 188 total cpu time spent up to now is 779.3 secs Computing kpt #: 189 total cpu time spent up to now is 782.4 secs Computing kpt #: 190 total cpu time spent up to now is 785.7 secs Computing kpt #: 191 total cpu time spent up to now is 788.9 secs Computing kpt #: 192 total cpu time spent up to now is 792.0 secs Computing kpt #: 193 total cpu time spent up to now is 795.8 secs Computing kpt #: 194 total cpu time spent up to now is 798.9 secs Computing kpt #: 195 total cpu time spent up to now is 802.0 secs Computing kpt #: 196 total cpu time spent up to now is 805.4 secs Computing kpt #: 197 total cpu time spent up to now is 808.7 secs Computing kpt #: 198 total cpu time spent up to now is 811.8 secs Computing kpt #: 199 total cpu time spent up to now is 815.1 secs Computing kpt #: 200 total cpu time spent up to now is 818.2 secs Computing kpt #: 201 total cpu time spent up to now is 821.5 secs Computing kpt #: 202 total cpu time spent up to now is 824.6 secs Computing kpt #: 203 total cpu time spent up to now is 827.7 secs Computing kpt #: 204 total cpu time spent up to now is 830.8 secs Computing kpt #: 205 total cpu time spent up to now is 834.1 secs Computing kpt #: 206 total cpu time spent up to now is 837.1 secs Computing kpt #: 207 total cpu time spent up to now is 840.7 secs Computing kpt #: 208 total cpu time spent up to now is 843.7 secs Computing kpt #: 209 total cpu time spent up to now is 847.9 secs Computing kpt #: 210 total cpu time spent up to now is 850.9 secs Computing kpt #: 211 total cpu time spent up to now is 853.9 secs Computing kpt #: 212 total cpu time spent up to now is 856.9 secs Computing kpt #: 213 total cpu time spent up to now is 860.0 secs Computing kpt #: 214 total cpu time spent up to now is 863.6 secs Computing kpt #: 215 total cpu time spent up to now is 866.9 secs Computing kpt #: 216 total cpu time spent up to now is 870.0 secs Computing kpt #: 217 total cpu time spent up to now is 873.2 secs Computing kpt #: 218 total cpu time spent up to now is 876.5 secs Computing kpt #: 219 total cpu time spent up to now is 880.0 secs Computing kpt #: 220 total cpu time spent up to now is 884.7 secs Computing kpt #: 221 total cpu time spent up to now is 887.8 secs Computing kpt #: 222 total cpu time spent up to now is 891.0 secs Computing kpt #: 223 total cpu time spent up to now is 894.2 secs Computing kpt #: 224 total cpu time spent up to now is 897.5 secs Computing kpt #: 225 total cpu time spent up to now is 900.6 secs Computing kpt #: 226 total cpu time spent up to now is 903.8 secs Computing kpt #: 227 total cpu time spent up to now is 907.5 secs Computing kpt #: 228 total cpu time spent up to now is 910.6 secs Computing kpt #: 229 total cpu time spent up to now is 913.7 secs Computing kpt #: 230 total cpu time spent up to now is 916.8 secs Computing kpt #: 231 total cpu time spent up to now is 919.9 secs Computing kpt #: 232 total cpu time spent up to now is 923.0 secs Computing kpt #: 233 total cpu time spent up to now is 926.4 secs Computing kpt #: 234 total cpu time spent up to now is 929.5 secs Computing kpt #: 235 total cpu time spent up to now is 932.6 secs Computing kpt #: 236 total cpu time spent up to now is 935.7 secs ethr = 1.79E-11, avg # of iterations = 21.9 total cpu time spent up to now is 935.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8087 PWs) bands (ev): -9.2642 -9.2642 -9.0978 -9.0978 -2.8122 -2.8122 -2.7042 -2.7042 -2.4929 -2.4929 -2.1173 -2.1173 -2.0963 -2.0963 -1.9456 -1.9456 -1.8542 -1.8542 -1.8438 -1.8438 -1.7473 -1.7473 -1.5108 -1.5108 -1.3092 -1.3092 -1.2534 -1.2534 -1.2477 -1.2477 -1.1321 -1.1321 -1.0915 -1.0915 -1.0493 -1.0493 -0.9561 -0.9561 -0.8378 -0.8378 -0.7132 -0.7132 -0.5850 -0.5850 -0.5170 -0.5170 0.2616 0.2616 0.4120 0.4120 0.5065 0.5065 1.0554 1.0554 1.6988 1.6988 1.7332 1.7332 2.0515 2.0515 5.2164 5.2164 5.5126 5.5126 6.1546 6.1546 7.6092 7.6092 k = 0.0000 0.0000 0.0217 ( 8108 PWs) bands (ev): -9.2642 -9.2642 -9.0979 -9.0979 -2.8122 -2.8122 -2.7041 -2.7041 -2.4929 -2.4929 -2.1173 -2.1173 -2.0962 -2.0962 -1.9456 -1.9456 -1.8542 -1.8542 -1.8439 -1.8439 -1.7474 -1.7474 -1.5108 -1.5108 -1.3094 -1.3094 -1.2534 -1.2534 -1.2477 -1.2477 -1.1322 -1.1322 -1.0915 -1.0915 -1.0494 -1.0494 -0.9561 -0.9561 -0.8379 -0.8379 -0.7132 -0.7132 -0.5856 -0.5856 -0.5170 -0.5170 0.2606 0.2606 0.4091 0.4091 0.5076 0.5076 1.0565 1.0565 1.7038 1.7038 1.7337 1.7337 2.0525 2.0525 5.2163 5.2163 5.5070 5.5070 6.1449 6.1449 7.6021 7.6021 k = 0.0000 0.0000 0.0433 ( 8118 PWs) bands (ev): -9.2640 -9.2640 -9.0981 -9.0981 -2.8121 -2.8121 -2.7041 -2.7041 -2.4928 -2.4928 -2.1172 -2.1172 -2.0961 -2.0961 -1.9454 -1.9454 -1.8542 -1.8542 -1.8439 -1.8439 -1.7474 -1.7474 -1.5107 -1.5107 -1.3099 -1.3099 -1.2535 -1.2535 -1.2476 -1.2476 -1.1323 -1.1323 -1.0915 -1.0915 -1.0494 -1.0494 -0.9562 -0.9562 -0.8379 -0.8379 -0.7131 -0.7131 -0.5874 -0.5874 -0.5170 -0.5170 0.2578 0.2578 0.4005 0.4005 0.5106 0.5106 1.0600 1.0600 1.7166 1.7166 1.7371 1.7371 2.0554 2.0554 5.2161 5.2161 5.4904 5.4904 6.1164 6.1164 7.5824 7.5824 k = 0.0000 0.0000 0.0650 ( 8124 PWs) bands (ev): -9.2636 -9.2636 -9.0985 -9.0985 -2.8120 -2.8120 -2.7041 -2.7041 -2.4927 -2.4927 -2.1172 -2.1172 -2.0959 -2.0959 -1.9452 -1.9452 -1.8542 -1.8542 -1.8440 -1.8440 -1.7475 -1.7475 -1.5104 -1.5104 -1.3107 -1.3107 -1.2537 -1.2537 -1.2475 -1.2475 -1.1325 -1.1325 -1.0915 -1.0915 -1.0495 -1.0495 -0.9564 -0.9564 -0.8379 -0.8379 -0.7130 -0.7130 -0.5903 -0.5903 -0.5169 -0.5169 0.2533 0.2533 0.3868 0.3868 0.5153 0.5153 1.0663 1.0663 1.7260 1.7260 1.7532 1.7532 2.0607 2.0607 5.2158 5.2158 5.4635 5.4635 6.0705 6.0705 7.5537 7.5537 k = 0.0000 0.0000 0.0866 ( 8122 PWs) bands (ev): -9.2631 -9.2631 -9.0989 -9.0989 -2.8119 -2.8119 -2.7040 -2.7040 -2.4925 -2.4925 -2.1171 -2.1171 -2.0955 -2.0955 -1.9449 -1.9449 -1.8542 -1.8542 -1.8442 -1.8442 -1.7476 -1.7476 -1.5101 -1.5101 -1.3117 -1.3117 -1.2538 -1.2538 -1.2473 -1.2473 -1.1327 -1.1327 -1.0915 -1.0915 -1.0497 -1.0497 -0.9566 -0.9566 -0.8379 -0.8379 -0.7128 -0.7128 -0.5942 -0.5942 -0.5167 -0.5167 0.2473 0.2473 0.3685 0.3685 0.5214 0.5214 1.0757 1.0757 1.7284 1.7284 1.7835 1.7835 2.0693 2.0693 5.2154 5.2154 5.4273 5.4273 6.0094 6.0094 7.5196 7.5196 k = 0.0000 0.0000 0.1083 ( 8121 PWs) bands (ev): -9.2626 -9.2626 -9.0995 -9.0995 -2.8118 -2.8118 -2.7040 -2.7040 -2.4923 -2.4923 -2.1171 -2.1171 -2.0951 -2.0951 -1.9444 -1.9444 -1.8542 -1.8542 -1.8443 -1.8443 -1.7477 -1.7477 -1.5096 -1.5096 -1.3130 -1.3130 -1.2540 -1.2540 -1.2470 -1.2470 -1.1329 -1.1329 -1.0914 -1.0914 -1.0499 -1.0499 -0.9568 -0.9568 -0.8378 -0.8378 -0.7126 -0.7126 -0.5990 -0.5990 -0.5164 -0.5164 0.2403 0.2403 0.3465 0.3465 0.5285 0.5285 1.0886 1.0886 1.7291 1.7291 1.8195 1.8195 2.0827 2.0827 5.2149 5.2149 5.3831 5.3831 5.9356 5.9356 7.4831 7.4831 k = 0.0000 0.0000 0.1299 ( 8115 PWs) bands (ev): -9.2619 -9.2619 -9.1002 -9.1002 -2.8116 -2.8116 -2.7039 -2.7039 -2.4920 -2.4920 -2.1170 -2.1170 -2.0946 -2.0946 -1.9438 -1.9438 -1.8542 -1.8542 -1.8446 -1.8446 -1.7479 -1.7479 -1.5091 -1.5091 -1.3145 -1.3145 -1.2541 -1.2541 -1.2468 -1.2468 -1.1332 -1.1332 -1.0914 -1.0914 -1.0502 -1.0502 -0.9571 -0.9571 -0.8378 -0.8378 -0.7125 -0.7125 -0.6044 -0.6044 -0.5161 -0.5161 0.2324 0.2324 0.3215 0.3215 0.5365 0.5365 1.1048 1.1048 1.7295 1.7295 1.8564 1.8564 2.1030 2.1030 5.2143 5.2143 5.3324 5.3324 5.8518 5.8518 7.4458 7.4458 k = 0.0000 0.0000 0.1516 ( 8112 PWs) bands (ev): -9.2611 -9.2611 -9.1010 -9.1010 -2.8115 -2.8115 -2.7038 -2.7038 -2.4916 -2.4916 -2.1169 -2.1169 -2.0940 -2.0940 -1.9430 -1.9430 -1.8542 -1.8542 -1.8450 -1.8450 -1.7480 -1.7480 -1.5085 -1.5085 -1.3162 -1.3162 -1.2543 -1.2543 -1.2467 -1.2467 -1.1335 -1.1335 -1.0914 -1.0914 -1.0506 -1.0506 -0.9573 -0.9573 -0.8378 -0.8378 -0.7123 -0.7123 -0.6103 -0.6103 -0.5157 -0.5157 0.2240 0.2240 0.2946 0.2946 0.5448 0.5448 1.1243 1.1243 1.7298 1.7298 1.8898 1.8898 2.1327 2.1327 5.2136 5.2136 5.2767 5.2767 5.7605 5.7605 7.4091 7.4091 k = 0.0000 0.0000 0.1732 ( 8118 PWs) bands (ev): -9.2602 -9.2602 -9.1018 -9.1018 -2.8114 -2.8114 -2.7038 -2.7038 -2.4912 -2.4912 -2.1168 -2.1168 -2.0934 -2.0934 -1.9420 -1.9420 -1.8542 -1.8542 -1.8455 -1.8455 -1.7482 -1.7482 -1.5077 -1.5077 -1.3182 -1.3182 -1.2544 -1.2544 -1.2466 -1.2466 -1.1338 -1.1338 -1.0914 -1.0914 -1.0511 -1.0511 -0.9575 -0.9575 -0.8378 -0.8378 -0.7122 -0.7122 -0.6164 -0.6164 -0.5152 -0.5152 0.2154 0.2154 0.2666 0.2666 0.5534 0.5534 1.1466 1.1466 1.7301 1.7301 1.9167 1.9167 2.1735 2.1735 5.2107 5.2107 5.2197 5.2197 5.6640 5.6640 7.3736 7.3736 k = 0.0000 0.0000 0.1949 ( 8121 PWs) bands (ev): -9.2593 -9.2593 -9.1028 -9.1028 -2.8113 -2.8113 -2.7037 -2.7037 -2.4907 -2.4907 -2.1167 -2.1167 -2.0928 -2.0928 -1.9407 -1.9407 -1.8541 -1.8541 -1.8462 -1.8462 -1.7484 -1.7484 -1.5069 -1.5069 -1.3203 -1.3203 -1.2545 -1.2545 -1.2466 -1.2466 -1.1341 -1.1341 -1.0915 -1.0915 -1.0518 -1.0518 -0.9576 -0.9576 -0.8378 -0.8378 -0.7121 -0.7121 -0.6225 -0.6225 -0.5148 -0.5148 0.2066 0.2066 0.2383 0.2383 0.5620 0.5620 1.1710 1.1710 1.7304 1.7304 1.9365 1.9365 2.2247 2.2247 5.1558 5.1558 5.2128 5.2128 5.5643 5.5643 7.3399 7.3399 k = 0.0000 0.0000 0.2165 ( 8117 PWs) bands (ev): -9.2584 -9.2584 -9.1037 -9.1037 -2.8113 -2.8113 -2.7037 -2.7037 -2.4902 -2.4902 -2.1166 -2.1166 -2.0921 -2.0921 -1.9393 -1.9393 -1.8541 -1.8541 -1.8470 -1.8470 -1.7486 -1.7486 -1.5060 -1.5060 -1.3226 -1.3226 -1.2546 -1.2546 -1.2467 -1.2467 -1.1345 -1.1345 -1.0915 -1.0915 -1.0526 -1.0526 -0.9577 -0.9577 -0.8378 -0.8378 -0.7122 -0.7122 -0.6285 -0.6285 -0.5142 -0.5142 0.1975 0.1975 0.2110 0.2110 0.5703 0.5703 1.1970 1.1970 1.7309 1.7309 1.9504 1.9504 2.2839 2.2839 5.0943 5.0943 5.2120 5.2120 5.4634 5.4634 7.3083 7.3083 k = 0.0000 0.0000 0.2382 ( 8127 PWs) bands (ev): -9.2574 -9.2574 -9.1046 -9.1046 -2.8113 -2.8113 -2.7037 -2.7037 -2.4896 -2.4896 -2.1165 -2.1165 -2.0914 -2.0914 -1.9377 -1.9377 -1.8541 -1.8541 -1.8480 -1.8480 -1.7487 -1.7487 -1.5050 -1.5050 -1.3250 -1.3250 -1.2547 -1.2547 -1.2468 -1.2468 -1.1348 -1.1348 -1.0917 -1.0917 -1.0534 -1.0534 -0.9577 -0.9577 -0.8378 -0.8378 -0.7124 -0.7124 -0.6340 -0.6340 -0.5135 -0.5135 0.1816 0.1816 0.1919 0.1919 0.5783 0.5783 1.2238 1.2238 1.7314 1.7314 1.9601 1.9601 2.3480 2.3480 5.0337 5.0337 5.2112 5.2112 5.3632 5.3632 7.2791 7.2791 k = 0.0000 0.0000 0.2598 ( 8120 PWs) bands (ev): -9.2565 -9.2565 -9.1056 -9.1056 -2.8113 -2.8113 -2.7036 -2.7036 -2.4890 -2.4890 -2.1164 -2.1164 -2.0907 -2.0907 -1.9358 -1.9358 -1.8542 -1.8542 -1.8490 -1.8490 -1.7489 -1.7489 -1.5040 -1.5040 -1.3275 -1.3275 -1.2548 -1.2548 -1.2471 -1.2471 -1.1352 -1.1352 -1.0918 -1.0918 -1.0543 -1.0543 -0.9577 -0.9577 -0.8378 -0.8378 -0.7127 -0.7127 -0.6391 -0.6391 -0.5128 -0.5128 0.1572 0.1572 0.1834 0.1834 0.5858 0.5858 1.2506 1.2506 1.7321 1.7321 1.9668 1.9668 2.4144 2.4144 4.9754 4.9754 5.2098 5.2098 5.2660 5.2660 7.2524 7.2524 k = 0.0000 0.0000 0.2815 ( 8112 PWs) bands (ev): -9.2555 -9.2555 -9.1065 -9.1065 -2.8114 -2.8114 -2.7036 -2.7036 -2.4884 -2.4884 -2.1163 -2.1163 -2.0900 -2.0900 -1.9339 -1.9339 -1.8544 -1.8544 -1.8501 -1.8501 -1.7491 -1.7491 -1.5030 -1.5030 -1.3299 -1.3299 -1.2548 -1.2548 -1.2473 -1.2473 -1.1355 -1.1355 -1.0919 -1.0919 -1.0552 -1.0552 -0.9575 -0.9575 -0.8378 -0.8378 -0.7131 -0.7131 -0.6435 -0.6435 -0.5122 -0.5122 0.1340 0.1340 0.1762 0.1762 0.5927 0.5927 1.2766 1.2766 1.7329 1.7329 1.9716 1.9716 2.4807 2.4807 4.9207 4.9207 5.1686 5.1686 5.2128 5.2128 7.2285 7.2285 k = 0.0000 0.0000 0.3031 ( 8108 PWs) bands (ev): -9.2547 -9.2547 -9.1073 -9.1073 -2.8114 -2.8114 -2.7036 -2.7036 -2.4877 -2.4877 -2.1162 -2.1162 -2.0893 -2.0893 -1.9318 -1.9318 -1.8548 -1.8548 -1.8510 -1.8510 -1.7492 -1.7492 -1.5020 -1.5020 -1.3322 -1.3322 -1.2549 -1.2549 -1.2477 -1.2477 -1.1358 -1.1358 -1.0921 -1.0921 -1.0562 -1.0562 -0.9573 -0.9573 -0.8378 -0.8378 -0.7137 -0.7137 -0.6473 -0.6473 -0.5115 -0.5115 0.1132 0.1132 0.1698 0.1698 0.5988 0.5988 1.3010 1.3010 1.7339 1.7339 1.9751 1.9751 2.5449 2.5449 4.8708 4.8708 5.0817 5.0817 5.2111 5.2111 7.2074 7.2074 k = 0.0000 0.0000 0.3248 ( 8109 PWs) bands (ev): -9.2539 -9.2539 -9.1081 -9.1081 -2.8115 -2.8115 -2.7036 -2.7036 -2.4872 -2.4872 -2.1161 -2.1161 -2.0888 -2.0888 -1.9299 -1.9299 -1.8555 -1.8555 -1.8516 -1.8516 -1.7494 -1.7494 -1.5010 -1.5010 -1.3344 -1.3344 -1.2549 -1.2549 -1.2480 -1.2480 -1.1361 -1.1361 -1.0923 -1.0923 -1.0570 -1.0570 -0.9571 -0.9571 -0.8378 -0.8378 -0.7143 -0.7143 -0.6504 -0.6504 -0.5109 -0.5109 0.0951 0.0951 0.1644 0.1644 0.6042 0.6042 1.3231 1.3231 1.7349 1.7349 1.9775 1.9775 2.6046 2.6046 4.8269 4.8269 5.0015 5.0015 5.2106 5.2106 7.1894 7.1894 k = 0.0000 0.0000 0.3464 ( 8112 PWs) bands (ev): -9.2533 -9.2533 -9.1088 -9.1088 -2.8116 -2.8116 -2.7036 -2.7036 -2.4867 -2.4867 -2.1160 -2.1160 -2.0883 -2.0883 -1.9280 -1.9280 -1.8564 -1.8564 -1.8520 -1.8520 -1.7495 -1.7495 -1.5001 -1.5001 -1.3364 -1.3364 -1.2549 -1.2549 -1.2483 -1.2483 -1.1363 -1.1363 -1.0924 -1.0924 -1.0577 -1.0577 -0.9569 -0.9569 -0.8378 -0.8378 -0.7149 -0.7149 -0.6529 -0.6529 -0.5104 -0.5104 0.0799 0.0799 0.1598 0.1598 0.6086 0.6086 1.3422 1.3422 1.7359 1.7359 1.9793 1.9793 2.6579 2.6579 4.7900 4.7900 4.9310 4.9310 5.2103 5.2103 7.1746 7.1746 k = 0.0000 0.0000 0.3681 ( 8110 PWs) bands (ev): -9.2527 -9.2527 -9.1093 -9.1093 -2.8117 -2.8117 -2.7035 -2.7035 -2.4863 -2.4863 -2.1160 -2.1160 -2.0879 -2.0879 -1.9264 -1.9264 -1.8573 -1.8573 -1.8521 -1.8521 -1.7496 -1.7496 -1.4994 -1.4994 -1.3380 -1.3380 -1.2549 -1.2549 -1.2486 -1.2486 -1.1365 -1.1365 -1.0926 -1.0926 -1.0584 -1.0584 -0.9567 -0.9567 -0.8378 -0.8378 -0.7155 -0.7155 -0.6547 -0.6547 -0.5100 -0.5100 0.0679 0.0679 0.1561 0.1561 0.6121 0.6121 1.3577 1.3577 1.7368 1.7368 1.9805 1.9805 2.7024 2.7024 4.7611 4.7611 4.8723 4.8723 5.2100 5.2100 7.1629 7.1629 k = 0.0000 0.0000 0.3898 ( 8111 PWs) bands (ev): -9.2523 -9.2523 -9.1097 -9.1097 -2.8118 -2.8118 -2.7035 -2.7035 -2.4859 -2.4859 -2.1159 -2.1159 -2.0876 -2.0876 -1.9251 -1.9251 -1.8582 -1.8582 -1.8522 -1.8522 -1.7497 -1.7497 -1.4988 -1.4988 -1.3393 -1.3393 -1.2549 -1.2549 -1.2488 -1.2488 -1.1367 -1.1367 -1.0927 -1.0927 -1.0588 -1.0588 -0.9566 -0.9566 -0.8378 -0.8378 -0.7160 -0.7160 -0.6559 -0.6559 -0.5097 -0.5097 0.0592 0.0592 0.1535 0.1535 0.6147 0.6147 1.3691 1.3691 1.7376 1.7376 1.9812 1.9812 2.7361 2.7361 4.7407 4.7407 4.8277 4.8277 5.2099 5.2099 7.1545 7.1545 k = 0.0000 0.0000 0.4114 ( 8108 PWs) bands (ev): -9.2521 -9.2521 -9.1099 -9.1099 -2.8118 -2.8118 -2.7035 -2.7035 -2.4857 -2.4857 -2.1159 -2.1159 -2.0874 -2.0874 -1.9243 -1.9243 -1.8587 -1.8587 -1.8522 -1.8522 -1.7497 -1.7497 -1.4984 -1.4984 -1.3400 -1.3400 -1.2549 -1.2549 -1.2490 -1.2490 -1.1368 -1.1368 -1.0928 -1.0928 -1.0591 -1.0591 -0.9565 -0.9565 -0.8378 -0.8378 -0.7163 -0.7163 -0.6566 -0.6566 -0.5095 -0.5095 0.0539 0.0539 0.1519 0.1519 0.6162 0.6162 1.3761 1.3761 1.7381 1.7381 1.9816 1.9816 2.7572 2.7572 4.7290 4.7290 4.7993 4.7993 5.2098 5.2098 7.1495 7.1495 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.2520 -9.2520 -9.1100 -9.1100 -2.8118 -2.8118 -2.7035 -2.7035 -2.4857 -2.4857 -2.1159 -2.1159 -2.0873 -2.0873 -1.9240 -1.9240 -1.8589 -1.8589 -1.8522 -1.8522 -1.7497 -1.7497 -1.4983 -1.4983 -1.3403 -1.3403 -1.2549 -1.2549 -1.2490 -1.2490 -1.1368 -1.1368 -1.0928 -1.0928 -1.0592 -1.0592 -0.9564 -0.9564 -0.8378 -0.8378 -0.7164 -0.7164 -0.6569 -0.6569 -0.5094 -0.5094 0.0521 0.0521 0.1514 0.1514 0.6167 0.6167 1.3784 1.3784 1.7383 1.7383 1.9818 1.9818 2.7644 2.7644 4.7253 4.7253 4.7895 4.7895 5.2098 5.2098 7.1478 7.1478 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.2520 -9.2520 -9.1100 -9.1100 -2.8118 -2.8118 -2.7035 -2.7035 -2.4857 -2.4857 -2.1159 -2.1159 -2.0873 -2.0873 -1.9240 -1.9240 -1.8589 -1.8589 -1.8522 -1.8522 -1.7497 -1.7497 -1.4983 -1.4983 -1.3403 -1.3403 -1.2549 -1.2549 -1.2490 -1.2490 -1.1368 -1.1368 -1.0928 -1.0928 -1.0592 -1.0592 -0.9564 -0.9564 -0.8378 -0.8378 -0.7164 -0.7164 -0.6569 -0.6569 -0.5094 -0.5094 0.0521 0.0521 0.1514 0.1514 0.6167 0.6167 1.3784 1.3784 1.7383 1.7383 1.9818 1.9818 2.7644 2.7644 4.7253 4.7253 4.7895 4.7895 5.2098 5.2098 7.1478 7.1478 k = 0.0000 0.0213 0.4331 ( 8103 PWs) bands (ev): -9.2518 -9.2518 -9.1098 -9.1098 -2.8118 -2.8118 -2.7035 -2.7035 -2.4857 -2.4857 -2.1159 -2.1159 -2.0874 -2.0874 -1.9240 -1.9240 -1.8589 -1.8589 -1.8523 -1.8523 -1.7497 -1.7497 -1.4984 -1.4984 -1.3403 -1.3403 -1.2553 -1.2553 -1.2484 -1.2484 -1.1369 -1.1369 -1.0926 -1.0926 -1.0590 -1.0590 -0.9564 -0.9564 -0.8378 -0.8378 -0.7161 -0.7161 -0.6567 -0.6567 -0.5094 -0.5094 0.0530 0.0530 0.1519 0.1519 0.6172 0.6172 1.3789 1.3789 1.7365 1.7365 1.9800 1.9800 2.7645 2.7645 4.7271 4.7271 4.7911 4.7911 5.2103 5.2103 7.1488 7.1488 k = 0.0000 0.0425 0.4331 ( 8103 PWs) bands (ev): -9.2513 -9.2513 -9.1093 -9.1093 -2.8118 -2.8118 -2.7035 -2.7035 -2.4856 -2.4856 -2.1160 -2.1160 -2.0874 -2.0874 -1.9239 -1.9239 -1.8588 -1.8588 -1.8523 -1.8523 -1.7495 -1.7495 -1.4985 -1.4985 -1.3402 -1.3402 -1.2563 -1.2563 -1.2471 -1.2471 -1.1374 -1.1374 -1.0921 -1.0921 -1.0585 -1.0585 -0.9563 -0.9563 -0.8376 -0.8376 -0.7150 -0.7150 -0.6562 -0.6562 -0.5092 -0.5092 0.0555 0.0555 0.1532 0.1532 0.6186 0.6186 1.3803 1.3803 1.7311 1.7311 1.9747 1.9747 2.7650 2.7650 4.7325 4.7325 4.7958 4.7958 5.2117 5.2117 7.1517 7.1517 k = 0.0000 0.0638 0.4331 ( 8102 PWs) bands (ev): -9.2505 -9.2505 -9.1085 -9.1085 -2.8116 -2.8116 -2.7035 -2.7035 -2.4856 -2.4856 -2.1161 -2.1161 -2.0875 -2.0875 -1.9238 -1.9238 -1.8587 -1.8587 -1.8523 -1.8523 -1.7493 -1.7493 -1.4986 -1.4986 -1.3401 -1.3401 -1.2573 -1.2573 -1.2454 -1.2454 -1.1381 -1.1381 -1.0911 -1.0911 -1.0577 -1.0577 -0.9562 -0.9562 -0.8373 -0.8373 -0.7134 -0.7134 -0.6553 -0.6553 -0.5090 -0.5090 0.0597 0.0597 0.1553 0.1553 0.6208 0.6208 1.3825 1.3825 1.7223 1.7223 1.9659 1.9659 2.7657 2.7657 4.7414 4.7414 4.8037 4.8037 5.2140 5.2140 7.1566 7.1566 k = 0.0000 0.0851 0.4331 ( 8102 PWs) bands (ev): -9.2493 -9.2493 -9.1074 -9.1074 -2.8115 -2.8115 -2.7036 -2.7036 -2.4855 -2.4855 -2.1162 -2.1162 -2.0876 -2.0876 -1.9237 -1.9237 -1.8586 -1.8586 -1.8524 -1.8524 -1.7491 -1.7491 -1.4989 -1.4989 -1.3400 -1.3400 -1.2583 -1.2583 -1.2435 -1.2435 -1.1391 -1.1391 -1.0898 -1.0898 -1.0566 -1.0566 -0.9561 -0.9561 -0.8369 -0.8369 -0.7111 -0.7111 -0.6538 -0.6538 -0.5087 -0.5087 0.0656 0.0656 0.1583 0.1583 0.6240 0.6240 1.3855 1.3855 1.7103 1.7103 1.9539 1.9539 2.7668 2.7668 4.7537 4.7537 4.8148 4.8148 5.2173 5.2173 7.1634 7.1634 k = 0.0000 0.1063 0.4331 ( 8111 PWs) bands (ev): -9.2479 -9.2479 -9.1059 -9.1059 -2.8113 -2.8113 -2.7036 -2.7036 -2.4854 -2.4854 -2.1165 -2.1165 -2.0877 -2.0877 -1.9236 -1.9236 -1.8585 -1.8585 -1.8525 -1.8525 -1.7487 -1.7487 -1.4992 -1.4992 -1.3398 -1.3398 -1.2591 -1.2591 -1.2416 -1.2416 -1.1404 -1.1404 -1.0881 -1.0881 -1.0551 -1.0551 -0.9559 -0.9559 -0.8363 -0.8363 -0.7084 -0.7084 -0.6517 -0.6517 -0.5083 -0.5083 0.0730 0.0730 0.1621 0.1621 0.6281 0.6281 1.3890 1.3890 1.6954 1.6954 1.9387 1.9387 2.7682 2.7682 4.7691 4.7691 4.8290 4.8290 5.2216 5.2216 7.1721 7.1721 k = 0.0000 0.1276 0.4331 ( 8103 PWs) bands (ev): -9.2461 -9.2461 -9.1042 -9.1042 -2.8111 -2.8111 -2.7037 -2.7037 -2.4853 -2.4853 -2.1167 -2.1167 -2.0879 -2.0879 -1.9234 -1.9234 -1.8584 -1.8584 -1.8525 -1.8525 -1.7483 -1.7483 -1.4996 -1.4996 -1.3396 -1.3396 -1.2596 -1.2596 -1.2397 -1.2397 -1.1418 -1.1418 -1.0862 -1.0862 -1.0533 -1.0533 -0.9557 -0.9557 -0.8357 -0.8357 -0.7052 -0.7052 -0.6487 -0.6487 -0.5078 -0.5078 0.0819 0.0819 0.1666 0.1666 0.6331 0.6331 1.3926 1.3926 1.6781 1.6781 1.9208 1.9208 2.7699 2.7699 4.7874 4.7874 4.8465 4.8465 5.2268 5.2268 7.1827 7.1827 k = 0.0000 0.1489 0.4331 ( 8104 PWs) bands (ev): -9.2440 -9.2440 -9.1021 -9.1021 -2.8108 -2.8108 -2.7037 -2.7037 -2.4851 -2.4851 -2.1171 -2.1171 -2.0881 -2.0881 -1.9232 -1.9232 -1.8584 -1.8584 -1.8527 -1.8527 -1.7478 -1.7478 -1.5002 -1.5002 -1.3393 -1.3393 -1.2599 -1.2599 -1.2379 -1.2379 -1.1434 -1.1434 -1.0841 -1.0841 -1.0511 -1.0511 -0.9555 -0.9555 -0.8349 -0.8349 -0.7019 -0.7019 -0.6445 -0.6445 -0.5071 -0.5071 0.0923 0.0923 0.1718 0.1718 0.6390 0.6390 1.3959 1.3959 1.6592 1.6592 1.9003 1.9003 2.7720 2.7720 4.8083 4.8083 4.8672 4.8672 5.2330 5.2330 7.1950 7.1950 k = 0.0000 0.1701 0.4331 ( 8102 PWs) bands (ev): -9.2416 -9.2416 -9.0998 -9.0998 -2.8105 -2.8105 -2.7038 -2.7038 -2.4850 -2.4850 -2.1175 -2.1175 -2.0883 -2.0883 -1.9230 -1.9230 -1.8584 -1.8584 -1.8528 -1.8528 -1.7473 -1.7473 -1.5008 -1.5008 -1.3390 -1.3390 -1.2599 -1.2599 -1.2363 -1.2363 -1.1452 -1.1452 -1.0818 -1.0818 -1.0486 -1.0486 -0.9552 -0.9552 -0.8341 -0.8341 -0.6987 -0.6987 -0.6388 -0.6388 -0.5063 -0.5063 0.1040 0.1040 0.1778 0.1778 0.6457 0.6457 1.3979 1.3979 1.6396 1.6396 1.8775 1.8775 2.7744 2.7744 4.8316 4.8316 4.8911 4.8911 5.2402 5.2402 7.2090 7.2090 k = 0.0000 0.1914 0.4331 ( 8112 PWs) bands (ev): -9.2390 -9.2390 -9.0972 -9.0972 -2.8102 -2.8102 -2.7039 -2.7039 -2.4848 -2.4848 -2.1181 -2.1181 -2.0886 -2.0886 -1.9229 -1.9229 -1.8584 -1.8584 -1.8529 -1.8529 -1.7469 -1.7469 -1.5015 -1.5015 -1.3387 -1.3387 -1.2597 -1.2597 -1.2348 -1.2348 -1.1471 -1.1471 -1.0794 -1.0794 -1.0457 -1.0457 -0.9550 -0.9550 -0.8332 -0.8332 -0.6958 -0.6958 -0.6312 -0.6312 -0.5053 -0.5053 0.1170 0.1170 0.1843 0.1843 0.6533 0.6533 1.3975 1.3975 1.6209 1.6209 1.8529 1.8529 2.7772 2.7772 4.8571 4.8571 4.9181 4.9181 5.2484 5.2484 7.2243 7.2243 k = 0.0000 0.2127 0.4331 ( 8118 PWs) bands (ev): -9.2361 -9.2361 -9.0943 -9.0943 -2.8099 -2.8099 -2.7040 -2.7040 -2.4846 -2.4846 -2.1187 -2.1187 -2.0889 -2.0889 -1.9227 -1.9227 -1.8586 -1.8586 -1.8530 -1.8530 -1.7463 -1.7463 -1.5023 -1.5023 -1.3384 -1.3384 -1.2592 -1.2592 -1.2335 -1.2335 -1.1491 -1.1491 -1.0770 -1.0770 -1.0426 -1.0426 -0.9547 -0.9547 -0.8321 -0.8321 -0.6933 -0.6933 -0.6216 -0.6216 -0.5040 -0.5040 0.1311 0.1311 0.1914 0.1914 0.6617 0.6617 1.3930 1.3930 1.6050 1.6050 1.8269 1.8269 2.7804 2.7804 4.8844 4.8844 4.9481 4.9481 5.2577 5.2577 7.2052 7.2052 k = 0.0000 0.2339 0.4331 ( 8120 PWs) bands (ev): -9.2330 -9.2330 -9.0912 -9.0912 -2.8095 -2.8095 -2.7041 -2.7041 -2.4844 -2.4844 -2.1195 -2.1195 -2.0892 -2.0892 -1.9225 -1.9225 -1.8589 -1.8589 -1.8530 -1.8530 -1.7458 -1.7458 -1.5032 -1.5032 -1.3380 -1.3380 -1.2585 -1.2585 -1.2323 -1.2323 -1.1510 -1.1510 -1.0745 -1.0745 -1.0392 -1.0392 -0.9545 -0.9545 -0.8310 -0.8310 -0.6913 -0.6913 -0.6099 -0.6099 -0.5025 -0.5025 0.1463 0.1463 0.1990 0.1990 0.6709 0.6709 1.3824 1.3824 1.5939 1.5939 1.7997 1.7997 2.7839 2.7839 4.9136 4.9136 4.9809 4.9809 5.2680 5.2680 7.0838 7.0838 k = 0.0000 0.2552 0.4331 ( 8118 PWs) bands (ev): -9.2297 -9.2297 -9.0879 -9.0879 -2.8092 -2.8092 -2.7042 -2.7042 -2.4842 -2.4842 -2.1203 -2.1203 -2.0895 -2.0895 -1.9224 -1.9224 -1.8594 -1.8594 -1.8530 -1.8530 -1.7453 -1.7453 -1.5042 -1.5042 -1.3376 -1.3376 -1.2575 -1.2575 -1.2314 -1.2314 -1.1530 -1.1530 -1.0719 -1.0719 -1.0355 -1.0355 -0.9542 -0.9542 -0.8297 -0.8297 -0.6898 -0.6898 -0.5960 -0.5960 -0.5006 -0.5006 0.1623 0.1623 0.2070 0.2070 0.6809 0.6809 1.3648 1.3648 1.5888 1.5888 1.7718 1.7718 2.7877 2.7877 4.9446 4.9446 5.0162 5.0162 5.2793 5.2793 6.9564 6.9564 k = 0.0000 0.2765 0.4331 ( 8112 PWs) bands (ev): -9.2261 -9.2261 -9.0844 -9.0844 -2.8088 -2.8088 -2.7043 -2.7043 -2.4840 -2.4840 -2.1213 -2.1213 -2.0899 -2.0899 -1.9223 -1.9223 -1.8600 -1.8600 -1.8529 -1.8529 -1.7448 -1.7448 -1.5054 -1.5054 -1.3372 -1.3372 -1.2563 -1.2563 -1.2307 -1.2307 -1.1548 -1.1548 -1.0693 -1.0693 -1.0317 -1.0317 -0.9539 -0.9539 -0.8284 -0.8284 -0.6886 -0.6886 -0.5802 -0.5802 -0.4981 -0.4981 0.1790 0.1790 0.2155 0.2155 0.6915 0.6915 1.3402 1.3402 1.5899 1.5899 1.7439 1.7439 2.7919 2.7919 4.9771 4.9771 5.0537 5.0537 5.2918 5.2918 6.8259 6.8259 k = 0.0000 0.2977 0.4331 ( 8114 PWs) bands (ev): -9.2225 -9.2225 -9.0807 -9.0807 -2.8084 -2.8084 -2.7044 -2.7044 -2.4838 -2.4838 -2.1224 -2.1224 -2.0903 -2.0903 -1.9222 -1.9222 -1.8609 -1.8609 -1.8529 -1.8529 -1.7444 -1.7444 -1.5067 -1.5067 -1.3368 -1.3368 -1.2550 -1.2550 -1.2301 -1.2301 -1.1566 -1.1566 -1.0668 -1.0668 -1.0279 -1.0279 -0.9535 -0.9535 -0.8269 -0.8269 -0.6878 -0.6878 -0.5628 -0.5628 -0.4947 -0.4947 0.1963 0.1963 0.2244 0.2244 0.7029 0.7029 1.3098 1.3098 1.5956 1.5956 1.7165 1.7165 2.7964 2.7964 5.0113 5.0113 5.0930 5.0930 5.3054 5.3054 6.6934 6.6934 k = 0.0000 0.3190 0.4331 ( 8116 PWs) bands (ev): -9.2186 -9.2186 -9.0768 -9.0768 -2.8080 -2.8080 -2.7046 -2.7046 -2.4835 -2.4835 -2.1237 -2.1237 -2.0907 -2.0907 -1.9221 -1.9221 -1.8618 -1.8618 -1.8527 -1.8527 -1.7440 -1.7440 -1.5082 -1.5082 -1.3363 -1.3363 -1.2536 -1.2536 -1.2297 -1.2297 -1.1583 -1.1583 -1.0643 -1.0643 -1.0240 -1.0240 -0.9532 -0.9532 -0.8253 -0.8253 -0.6872 -0.6872 -0.5448 -0.5448 -0.4897 -0.4897 0.2137 0.2137 0.2339 0.2339 0.7149 0.7149 1.2750 1.2750 1.6034 1.6034 1.6915 1.6915 2.8012 2.8012 5.0468 5.0468 5.1338 5.1338 5.3202 5.3202 6.5600 6.5600 k = 0.0000 0.3403 0.4331 ( 8116 PWs) bands (ev): -9.2147 -9.2147 -9.0729 -9.0729 -2.8077 -2.8077 -2.7047 -2.7047 -2.4833 -2.4833 -2.1251 -2.1251 -2.0912 -2.0912 -1.9221 -1.9221 -1.8629 -1.8629 -1.8526 -1.8526 -1.7436 -1.7436 -1.5098 -1.5098 -1.3359 -1.3359 -1.2521 -1.2521 -1.2294 -1.2294 -1.1598 -1.1598 -1.0618 -1.0618 -1.0201 -1.0201 -0.9529 -0.9529 -0.8236 -0.8236 -0.6867 -0.6867 -0.5280 -0.5280 -0.4812 -0.4812 0.2305 0.2305 0.2445 0.2445 0.7274 0.7274 1.2370 1.2370 1.6080 1.6080 1.6735 1.6735 2.8062 2.8062 5.0837 5.0837 5.1755 5.1755 5.3362 5.3362 6.4267 6.4267 k = 0.0000 0.3616 0.4331 ( 8114 PWs) bands (ev): -9.2106 -9.2106 -9.0688 -9.0688 -2.8073 -2.8073 -2.7049 -2.7049 -2.4831 -2.4831 -2.1266 -2.1266 -2.0917 -2.0917 -1.9221 -1.9221 -1.8641 -1.8641 -1.8525 -1.8525 -1.7433 -1.7433 -1.5116 -1.5116 -1.3354 -1.3354 -1.2505 -1.2505 -1.2292 -1.2292 -1.1610 -1.1610 -1.0593 -1.0593 -1.0163 -1.0163 -0.9525 -0.9525 -0.8217 -0.8217 -0.6864 -0.6864 -0.5151 -0.5151 -0.4665 -0.4665 0.2449 0.2449 0.2579 0.2579 0.7404 0.7404 1.1970 1.1970 1.6001 1.6001 1.6711 1.6711 2.8115 2.8115 5.1216 5.1216 5.2178 5.2178 5.3535 5.3535 6.2942 6.2942 k = 0.0000 0.3828 0.4331 ( 8112 PWs) bands (ev): -9.2065 -9.2065 -9.0646 -9.0646 -2.8069 -2.8069 -2.7050 -2.7050 -2.4829 -2.4829 -2.1282 -2.1282 -2.0922 -2.0922 -1.9222 -1.9222 -1.8655 -1.8655 -1.8523 -1.8523 -1.7430 -1.7430 -1.5135 -1.5135 -1.3350 -1.3350 -1.2490 -1.2490 -1.2291 -1.2291 -1.1621 -1.1621 -1.0569 -1.0569 -1.0126 -1.0126 -0.9522 -0.9522 -0.8198 -0.8198 -0.6861 -0.6861 -0.5068 -0.5068 -0.4452 -0.4452 0.2562 0.2562 0.2744 0.2744 0.7538 0.7538 1.1555 1.1555 1.5806 1.5806 1.6833 1.6833 2.8170 2.8170 5.1601 5.1601 5.2601 5.2601 5.3722 5.3722 6.1636 6.1636 k = 0.0000 0.4041 0.4331 ( 8103 PWs) bands (ev): -9.2024 -9.2024 -9.0604 -9.0604 -2.8066 -2.8066 -2.7052 -2.7052 -2.4827 -2.4827 -2.1299 -2.1299 -2.0927 -2.0927 -1.9223 -1.9223 -1.8669 -1.8669 -1.8522 -1.8522 -1.7428 -1.7428 -1.5156 -1.5156 -1.3345 -1.3345 -1.2476 -1.2476 -1.2289 -1.2289 -1.1628 -1.1628 -1.0545 -1.0545 -1.0090 -1.0090 -0.9518 -0.9518 -0.8177 -0.8177 -0.6859 -0.6859 -0.5013 -0.5013 -0.4190 -0.4190 0.2662 0.2662 0.2921 0.2921 0.7675 0.7675 1.1133 1.1133 1.5570 1.5570 1.7023 1.7023 2.8227 2.8227 5.1986 5.1986 5.3018 5.3018 5.3923 5.3923 6.0360 6.0360 k = 0.0000 0.4254 0.4331 ( 8109 PWs) bands (ev): -9.1983 -9.1983 -9.0562 -9.0562 -2.8063 -2.8063 -2.7054 -2.7054 -2.4825 -2.4825 -2.1318 -2.1318 -2.0933 -2.0933 -1.9225 -1.9225 -1.8684 -1.8684 -1.8520 -1.8520 -1.7426 -1.7426 -1.5178 -1.5178 -1.3341 -1.3341 -1.2464 -1.2464 -1.2287 -1.2287 -1.1633 -1.1633 -1.0522 -1.0522 -1.0055 -1.0055 -0.9514 -0.9514 -0.8155 -0.8155 -0.6858 -0.6858 -0.4972 -0.4972 -0.3898 -0.3898 0.2757 0.2757 0.3100 0.3100 0.7815 0.7815 1.0708 1.0708 1.5326 1.5326 1.7246 1.7246 2.8287 2.8287 5.2359 5.2359 5.3421 5.3421 5.4139 5.4139 5.9129 5.9129 k = 0.0000 0.4466 0.4331 ( 8125 PWs) bands (ev): -9.1941 -9.1941 -9.0520 -9.0520 -2.8060 -2.8060 -2.7056 -2.7056 -2.4824 -2.4824 -2.1337 -2.1337 -2.0940 -2.0940 -1.9227 -1.9227 -1.8699 -1.8699 -1.8519 -1.8519 -1.7425 -1.7425 -1.5202 -1.5202 -1.3337 -1.3337 -1.2455 -1.2455 -1.2284 -1.2284 -1.1636 -1.1636 -1.0501 -1.0501 -1.0022 -1.0022 -0.9510 -0.9510 -0.8132 -0.8132 -0.6856 -0.6856 -0.4938 -0.4938 -0.3584 -0.3584 0.2849 0.2849 0.3277 0.3277 0.7955 0.7955 1.0283 1.0283 1.5086 1.5086 1.7488 1.7488 2.8347 2.8347 5.2698 5.2698 5.3799 5.3799 5.4373 5.4373 5.7973 5.7973 k = 0.0000 0.4679 0.4331 ( 8118 PWs) bands (ev): -9.1901 -9.1901 -9.0478 -9.0478 -2.8057 -2.8057 -2.7057 -2.7057 -2.4822 -2.4822 -2.1357 -2.1357 -2.0946 -2.0946 -1.9229 -1.9229 -1.8715 -1.8715 -1.8517 -1.8517 -1.7424 -1.7424 -1.5227 -1.5227 -1.3333 -1.3333 -1.2447 -1.2447 -1.2280 -1.2280 -1.1634 -1.1634 -1.0480 -1.0480 -0.9990 -0.9990 -0.9506 -0.9506 -0.8108 -0.8108 -0.6855 -0.6855 -0.4906 -0.4906 -0.3253 -0.3253 0.2938 0.2938 0.3449 0.3449 0.8096 0.8096 0.9863 0.9863 1.4856 1.4856 1.7745 1.7745 2.8410 2.8410 5.2951 5.2951 5.4134 5.4134 5.4619 5.4619 5.6955 5.6955 k = 0.0000 0.4892 0.4331 ( 8103 PWs) bands (ev): -9.1861 -9.1861 -9.0436 -9.0436 -2.8054 -2.8054 -2.7059 -2.7059 -2.4821 -2.4821 -2.1377 -2.1377 -2.0953 -2.0953 -1.9231 -1.9231 -1.8731 -1.8731 -1.8516 -1.8516 -1.7423 -1.7423 -1.5253 -1.5253 -1.3329 -1.3329 -1.2443 -1.2443 -1.2275 -1.2275 -1.1630 -1.1630 -1.0460 -1.0460 -0.9960 -0.9960 -0.9501 -0.9501 -0.8083 -0.8083 -0.6853 -0.6853 -0.4876 -0.4876 -0.2909 -0.2909 0.3025 0.3025 0.3614 0.3614 0.8234 0.8234 0.9451 0.9451 1.4638 1.4638 1.8011 1.8011 2.8473 2.8473 5.3007 5.3007 5.4393 5.4393 5.4867 5.4867 5.6228 5.6228 k = 0.0000 0.5104 0.4331 ( 8095 PWs) bands (ev): -9.1822 -9.1822 -9.0396 -9.0396 -2.8051 -2.8051 -2.7060 -2.7060 -2.4820 -2.4820 -2.1397 -2.1397 -2.0959 -2.0959 -1.9234 -1.9234 -1.8747 -1.8747 -1.8514 -1.8514 -1.7422 -1.7422 -1.5280 -1.5280 -1.3326 -1.3326 -1.2440 -1.2440 -1.2268 -1.2268 -1.1623 -1.1623 -1.0442 -1.0442 -0.9931 -0.9931 -0.9496 -0.9496 -0.8058 -0.8058 -0.6851 -0.6851 -0.4848 -0.4848 -0.2554 -0.2554 0.3109 0.3109 0.3771 0.3771 0.8368 0.8368 0.9052 0.9052 1.4433 1.4433 1.8284 1.8284 2.8536 2.8536 5.2688 5.2688 5.4534 5.4534 5.5109 5.5109 5.6006 5.6006 k = 0.0000 0.5317 0.4331 ( 8101 PWs) bands (ev): -9.1784 -9.1784 -9.0356 -9.0356 -2.8049 -2.8049 -2.7062 -2.7062 -2.4819 -2.4819 -2.1418 -2.1418 -2.0966 -2.0966 -1.9237 -1.9237 -1.8763 -1.8763 -1.8513 -1.8513 -1.7422 -1.7422 -1.5308 -1.5308 -1.3323 -1.3323 -1.2439 -1.2439 -1.2262 -1.2262 -1.1614 -1.1614 -1.0426 -1.0426 -0.9904 -0.9904 -0.9491 -0.9491 -0.8033 -0.8033 -0.6849 -0.6849 -0.4820 -0.4820 -0.2191 -0.2191 0.3191 0.3191 0.3917 0.3917 0.8472 0.8472 0.8692 0.8692 1.4243 1.4243 1.8559 1.8559 2.8600 2.8600 5.1994 5.1994 5.4605 5.4605 5.5377 5.5377 5.6204 5.6204 k = 0.0000 0.5530 0.4331 ( 8097 PWs) bands (ev): -9.1749 -9.1749 -9.0318 -9.0318 -2.8047 -2.8047 -2.7063 -2.7063 -2.4818 -2.4818 -2.1438 -2.1438 -2.0973 -2.0973 -1.9241 -1.9241 -1.8779 -1.8779 -1.8512 -1.8512 -1.7422 -1.7422 -1.5336 -1.5336 -1.3320 -1.3320 -1.2440 -1.2440 -1.2255 -1.2255 -1.1603 -1.1603 -1.0411 -1.0411 -0.9879 -0.9879 -0.9486 -0.9486 -0.8008 -0.8008 -0.6846 -0.6846 -0.4793 -0.4793 -0.1824 -0.1824 0.3269 0.3269 0.4051 0.4051 0.8254 0.8254 0.8665 0.8665 1.4068 1.4068 1.8835 1.8835 2.8662 2.8662 5.1121 5.1121 5.4635 5.4635 5.5674 5.5674 5.6585 5.6585 k = 0.0000 0.5742 0.4331 ( 8100 PWs) bands (ev): -9.1715 -9.1715 -9.0282 -9.0282 -2.8045 -2.8045 -2.7065 -2.7065 -2.4818 -2.4818 -2.1458 -2.1458 -2.0981 -2.0981 -1.9244 -1.9244 -1.8794 -1.8794 -1.8510 -1.8510 -1.7422 -1.7422 -1.5364 -1.5364 -1.3317 -1.3317 -1.2441 -1.2441 -1.2249 -1.2249 -1.1590 -1.1590 -1.0398 -1.0398 -0.9855 -0.9855 -0.9481 -0.9481 -0.7983 -0.7983 -0.6844 -0.6844 -0.4767 -0.4767 -0.1454 -0.1454 0.3343 0.3343 0.4171 0.4171 0.7907 0.7907 0.8780 0.8780 1.3908 1.3908 1.9106 1.9106 2.8722 2.8722 5.0200 5.0200 5.4603 5.4603 5.5992 5.5992 5.7048 5.7048 k = 0.0000 0.5955 0.4331 ( 8092 PWs) bands (ev): -9.1683 -9.1683 -9.0247 -9.0247 -2.8043 -2.8043 -2.7067 -2.7067 -2.4817 -2.4817 -2.1477 -2.1477 -2.0988 -2.0988 -1.9248 -1.9248 -1.8808 -1.8808 -1.8509 -1.8509 -1.7423 -1.7423 -1.5391 -1.5391 -1.3315 -1.3315 -1.2443 -1.2443 -1.2243 -1.2243 -1.1575 -1.1575 -1.0386 -1.0386 -0.9832 -0.9832 -0.9475 -0.9475 -0.7959 -0.7959 -0.6840 -0.6840 -0.4742 -0.4742 -0.1086 -0.1086 0.3414 0.3414 0.4275 0.4275 0.7574 0.7574 0.8895 0.8895 1.3763 1.3763 1.9370 1.9370 2.8778 2.8778 4.9290 4.9290 5.4494 5.4494 5.6326 5.6326 5.7556 5.7556 k = 0.0000 0.6168 0.4331 ( 8092 PWs) bands (ev): -9.1653 -9.1653 -9.0215 -9.0215 -2.8042 -2.8042 -2.7068 -2.7068 -2.4817 -2.4817 -2.1495 -2.1495 -2.0995 -2.0995 -1.9252 -1.9252 -1.8822 -1.8822 -1.8507 -1.8507 -1.7423 -1.7423 -1.5418 -1.5418 -1.3313 -1.3313 -1.2445 -1.2445 -1.2238 -1.2238 -1.1560 -1.1560 -1.0376 -1.0376 -0.9812 -0.9812 -0.9470 -0.9470 -0.7935 -0.7935 -0.6837 -0.6837 -0.4719 -0.4719 -0.0721 -0.0721 0.3481 0.3481 0.4360 0.4360 0.7266 0.7266 0.9004 0.9004 1.3634 1.3634 1.9624 1.9624 2.8827 2.8827 4.8418 4.8418 5.4314 5.4314 5.6677 5.6677 5.8094 5.8094 k = 0.0000 0.6380 0.4331 ( 8086 PWs) bands (ev): -9.1626 -9.1626 -9.0185 -9.0185 -2.8041 -2.8041 -2.7069 -2.7069 -2.4816 -2.4816 -2.1512 -2.1512 -2.1002 -2.1002 -1.9255 -1.9255 -1.8834 -1.8834 -1.8505 -1.8505 -1.7423 -1.7423 -1.5444 -1.5444 -1.3312 -1.3312 -1.2446 -1.2446 -1.2234 -1.2234 -1.1544 -1.1544 -1.0367 -1.0367 -0.9793 -0.9793 -0.9464 -0.9464 -0.7913 -0.7913 -0.6833 -0.6833 -0.4697 -0.4697 -0.0363 -0.0363 0.3543 0.3543 0.4422 0.4422 0.6988 0.6988 0.9105 0.9105 1.3518 1.3518 1.9863 1.9863 2.8866 2.8866 4.7600 4.7600 5.4077 5.4077 5.7042 5.7042 5.8652 5.8652 k = 0.0000 0.6593 0.4331 ( 8072 PWs) bands (ev): -9.1602 -9.1602 -9.0157 -9.0157 -2.8040 -2.8040 -2.7071 -2.7071 -2.4816 -2.4816 -2.1528 -2.1528 -2.1008 -2.1008 -1.9259 -1.9259 -1.8846 -1.8846 -1.8503 -1.8503 -1.7423 -1.7423 -1.5468 -1.5468 -1.3310 -1.3310 -1.2447 -1.2447 -1.2230 -1.2230 -1.1529 -1.1529 -1.0360 -1.0360 -0.9775 -0.9775 -0.9459 -0.9459 -0.7893 -0.7893 -0.6829 -0.6829 -0.4677 -0.4677 -0.0016 -0.0016 0.3600 0.3600 0.4457 0.4457 0.6746 0.6746 0.9195 0.9195 1.3417 1.3417 2.0084 2.0084 2.8892 2.8892 4.6848 4.6848 5.3805 5.3805 5.7420 5.7420 5.9223 5.9223 k = 0.0000 0.6806 0.4331 ( 8076 PWs) bands (ev): -9.1581 -9.1581 -9.0133 -9.0133 -2.8039 -2.8039 -2.7072 -2.7072 -2.4817 -2.4817 -2.1542 -2.1542 -2.1014 -2.1014 -1.9262 -1.9262 -1.8857 -1.8857 -1.8502 -1.8502 -1.7423 -1.7423 -1.5491 -1.5491 -1.3308 -1.3308 -1.2448 -1.2448 -1.2227 -1.2227 -1.1514 -1.1514 -1.0354 -1.0354 -0.9760 -0.9760 -0.9454 -0.9454 -0.7874 -0.7874 -0.6825 -0.6825 -0.4659 -0.4659 0.0317 0.0317 0.3652 0.3652 0.4459 0.4459 0.6549 0.6549 0.9274 0.9274 1.3329 1.3329 2.0283 2.0283 2.8898 2.8898 4.6172 4.6172 5.3521 5.3521 5.7806 5.7806 5.9801 5.9801 k = 0.0000 0.7018 0.4331 ( 8073 PWs) bands (ev): -9.1563 -9.1563 -9.0111 -9.0111 -2.8039 -2.8039 -2.7073 -2.7073 -2.4817 -2.4817 -2.1555 -2.1555 -2.1020 -2.1020 -1.9266 -1.9266 -1.8866 -1.8866 -1.8500 -1.8500 -1.7423 -1.7423 -1.5512 -1.5512 -1.3306 -1.3306 -1.2448 -1.2448 -1.2225 -1.2225 -1.1500 -1.1500 -1.0350 -1.0350 -0.9747 -0.9747 -0.9449 -0.9449 -0.7857 -0.7857 -0.6821 -0.6821 -0.4644 -0.4644 0.0631 0.0631 0.3698 0.3698 0.4428 0.4428 0.6400 0.6400 0.9340 0.9340 1.3253 1.3253 2.0457 2.0457 2.8880 2.8880 4.5581 4.5581 5.3248 5.3248 5.8197 5.8197 6.0381 6.0381 k = 0.0000 0.7231 0.4331 ( 8076 PWs) bands (ev): -9.1549 -9.1549 -9.0092 -9.0092 -2.8039 -2.8039 -2.7074 -2.7074 -2.4817 -2.4817 -2.1566 -2.1566 -2.1025 -2.1025 -1.9269 -1.9269 -1.8874 -1.8874 -1.8498 -1.8498 -1.7423 -1.7423 -1.5531 -1.5531 -1.3304 -1.3304 -1.2448 -1.2448 -1.2223 -1.2223 -1.1488 -1.1488 -1.0346 -1.0346 -0.9735 -0.9735 -0.9444 -0.9444 -0.7843 -0.7843 -0.6816 -0.6816 -0.4631 -0.4631 0.0920 0.0920 0.3737 0.3737 0.4365 0.4365 0.6302 0.6302 0.9393 0.9393 1.3189 1.3189 2.0604 2.0604 2.8832 2.8832 4.5083 4.5083 5.3005 5.3005 5.8582 5.8582 6.0957 6.0957 k = 0.0000 0.7444 0.4331 ( 8084 PWs) bands (ev): -9.1537 -9.1537 -9.0076 -9.0076 -2.8039 -2.8039 -2.7075 -2.7075 -2.4818 -2.4818 -2.1575 -2.1575 -2.1029 -2.1029 -1.9271 -1.9271 -1.8882 -1.8882 -1.8496 -1.8496 -1.7423 -1.7423 -1.5548 -1.5548 -1.3303 -1.3303 -1.2448 -1.2448 -1.2221 -1.2221 -1.1478 -1.1478 -1.0343 -1.0343 -0.9726 -0.9726 -0.9440 -0.9440 -0.7832 -0.7832 -0.6812 -0.6812 -0.4621 -0.4621 0.1178 0.1178 0.3768 0.3768 0.4280 0.4280 0.6252 0.6252 0.9433 0.9433 1.3136 1.3136 2.0721 2.0721 2.8747 2.8747 4.4687 4.4687 5.2811 5.2811 5.8948 5.8948 6.1522 6.1522 k = 0.0000 0.7656 0.4331 ( 8078 PWs) bands (ev): -9.1530 -9.1530 -9.0064 -9.0064 -2.8039 -2.8039 -2.7076 -2.7076 -2.4818 -2.4818 -2.1582 -2.1582 -2.1033 -2.1033 -1.9273 -1.9273 -1.8887 -1.8887 -1.8493 -1.8493 -1.7423 -1.7423 -1.5561 -1.5561 -1.3300 -1.3300 -1.2447 -1.2447 -1.2220 -1.2220 -1.1470 -1.1470 -1.0341 -1.0341 -0.9719 -0.9719 -0.9437 -0.9437 -0.7823 -0.7823 -0.6808 -0.6808 -0.4613 -0.4613 0.1394 0.1394 0.3790 0.3790 0.4192 0.4192 0.6243 0.6243 0.9457 0.9457 1.3094 1.3094 2.0805 2.0805 2.8622 2.8622 4.4398 4.4398 5.2680 5.2680 5.9272 5.9272 6.2068 6.2068 k = 0.0000 0.7656 0.4331 ( 8078 PWs) bands (ev): -9.1530 -9.1530 -9.0064 -9.0064 -2.8039 -2.8039 -2.7076 -2.7076 -2.4818 -2.4818 -2.1582 -2.1582 -2.1033 -2.1033 -1.9273 -1.9273 -1.8887 -1.8887 -1.8493 -1.8493 -1.7423 -1.7423 -1.5561 -1.5561 -1.3300 -1.3300 -1.2447 -1.2447 -1.2220 -1.2220 -1.1470 -1.1470 -1.0341 -1.0341 -0.9719 -0.9719 -0.9437 -0.9437 -0.7823 -0.7823 -0.6808 -0.6808 -0.4613 -0.4613 0.1394 0.1394 0.3790 0.3790 0.4192 0.4192 0.6243 0.6243 0.9457 0.9457 1.3094 1.3094 2.0805 2.0805 2.8622 2.8622 4.4398 4.4398 5.2680 5.2680 5.9272 5.9272 6.2068 6.2068 k = 0.0000 0.7720 0.4150 ( 8084 PWs) bands (ev): -9.1532 -9.1532 -9.0057 -9.0057 -2.8042 -2.8042 -2.7077 -2.7077 -2.4819 -2.4819 -2.1583 -2.1583 -2.1037 -2.1037 -1.9269 -1.9269 -1.8887 -1.8887 -1.8490 -1.8490 -1.7424 -1.7424 -1.5569 -1.5569 -1.3289 -1.3289 -1.2443 -1.2443 -1.2218 -1.2218 -1.1468 -1.1468 -1.0334 -1.0334 -0.9718 -0.9718 -0.9431 -0.9431 -0.7818 -0.7818 -0.6795 -0.6795 -0.4617 -0.4617 0.1445 0.1445 0.3825 0.3825 0.4202 0.4202 0.6202 0.6202 0.9429 0.9429 1.3110 1.3110 2.0752 2.0752 2.8256 2.8256 4.4462 4.4462 5.2908 5.2908 5.9352 5.9352 6.2799 6.2799 k = 0.0000 0.7784 0.3970 ( 8074 PWs) bands (ev): -9.1534 -9.1534 -9.0051 -9.0051 -2.8043 -2.8043 -2.7077 -2.7077 -2.4820 -2.4820 -2.1584 -2.1584 -2.1040 -2.1040 -1.9263 -1.9263 -1.8887 -1.8887 -1.8488 -1.8488 -1.7424 -1.7424 -1.5575 -1.5575 -1.3280 -1.3280 -1.2439 -1.2439 -1.2217 -1.2217 -1.1467 -1.1467 -1.0327 -1.0327 -0.9716 -0.9716 -0.9426 -0.9426 -0.7814 -0.7814 -0.6782 -0.6782 -0.4621 -0.4621 0.1491 0.1491 0.3855 0.3855 0.4209 0.4209 0.6172 0.6172 0.9402 0.9402 1.3125 1.3125 2.0706 2.0706 2.7919 2.7919 4.4522 4.4522 5.3123 5.3123 5.9426 5.9426 6.3486 6.3486 k = 0.0000 0.7848 0.3789 ( 8070 PWs) bands (ev): -9.1535 -9.1535 -9.0045 -9.0045 -2.8045 -2.8045 -2.7078 -2.7078 -2.4820 -2.4820 -2.1584 -2.1584 -2.1042 -2.1042 -1.9256 -1.9256 -1.8887 -1.8887 -1.8488 -1.8488 -1.7425 -1.7425 -1.5581 -1.5581 -1.3272 -1.3272 -1.2436 -1.2436 -1.2216 -1.2216 -1.1466 -1.1466 -1.0322 -1.0322 -0.9716 -0.9716 -0.9420 -0.9420 -0.7811 -0.7811 -0.6771 -0.6771 -0.4624 -0.4624 0.1532 0.1532 0.3881 0.3881 0.4212 0.4212 0.6152 0.6152 0.9377 0.9377 1.3138 1.3138 2.0668 2.0668 2.7618 2.7618 4.4575 4.4575 5.3319 5.3319 5.9490 5.9490 6.4089 6.4089 k = 0.0000 0.7912 0.3609 ( 8072 PWs) bands (ev): -9.1537 -9.1537 -9.0041 -9.0041 -2.8047 -2.8047 -2.7079 -2.7079 -2.4820 -2.4820 -2.1585 -2.1585 -2.1045 -2.1045 -1.9249 -1.9249 -1.8887 -1.8887 -1.8489 -1.8489 -1.7426 -1.7426 -1.5585 -1.5585 -1.3266 -1.3266 -1.2433 -1.2433 -1.2216 -1.2216 -1.1465 -1.1465 -1.0317 -1.0317 -0.9715 -0.9715 -0.9415 -0.9415 -0.7808 -0.7808 -0.6761 -0.6761 -0.4627 -0.4627 0.1566 0.1566 0.3901 0.3901 0.4214 0.4214 0.6139 0.6139 0.9356 0.9356 1.3149 1.3149 2.0638 2.0638 2.7361 2.7361 4.4620 4.4620 5.3489 5.3489 5.9545 5.9545 6.4511 6.4511 k = 0.0000 0.7975 0.3429 ( 8067 PWs) bands (ev): -9.1538 -9.1538 -9.0037 -9.0037 -2.8048 -2.8048 -2.7079 -2.7079 -2.4820 -2.4820 -2.1585 -2.1585 -2.1047 -2.1047 -1.9243 -1.9243 -1.8887 -1.8887 -1.8490 -1.8490 -1.7427 -1.7427 -1.5589 -1.5589 -1.3261 -1.3261 -1.2431 -1.2431 -1.2216 -1.2216 -1.1464 -1.1464 -1.0313 -1.0313 -0.9715 -0.9715 -0.9411 -0.9411 -0.7806 -0.7806 -0.6753 -0.6753 -0.4629 -0.4629 0.1594 0.1594 0.3917 0.3917 0.4214 0.4214 0.6131 0.6131 0.9339 0.9339 1.3158 1.3158 2.0616 2.0616 2.7153 2.7153 4.4656 4.4656 5.3629 5.3629 5.9590 5.9590 6.4666 6.4666 k = 0.0000 0.8039 0.3248 ( 8060 PWs) bands (ev): -9.1539 -9.1539 -9.0035 -9.0035 -2.8049 -2.8049 -2.7079 -2.7079 -2.4820 -2.4820 -2.1586 -2.1586 -2.1048 -2.1048 -1.9238 -1.9238 -1.8887 -1.8887 -1.8491 -1.8491 -1.7427 -1.7427 -1.5591 -1.5591 -1.3258 -1.3258 -1.2429 -1.2429 -1.2216 -1.2216 -1.1463 -1.1463 -1.0311 -1.0311 -0.9714 -0.9714 -0.9408 -0.9408 -0.7804 -0.7804 -0.6747 -0.6747 -0.4630 -0.4630 0.1615 0.1615 0.3927 0.3927 0.4215 0.4215 0.6127 0.6127 0.9326 0.9326 1.3164 1.3164 2.0601 2.0601 2.7001 2.7001 4.4683 4.4683 5.3732 5.3732 5.9623 5.9623 6.4687 6.4687 k = 0.0000 0.8103 0.3068 ( 8064 PWs) bands (ev): -9.1540 -9.1540 -9.0033 -9.0033 -2.8050 -2.8050 -2.7080 -2.7080 -2.4820 -2.4820 -2.1586 -2.1586 -2.1049 -2.1049 -1.9235 -1.9235 -1.8887 -1.8887 -1.8491 -1.8491 -1.7427 -1.7427 -1.5592 -1.5592 -1.3256 -1.3256 -1.2428 -1.2428 -1.2216 -1.2216 -1.1463 -1.1463 -1.0309 -1.0309 -0.9714 -0.9714 -0.9406 -0.9406 -0.7803 -0.7803 -0.6743 -0.6743 -0.4632 -0.4632 0.1627 0.1627 0.3932 0.3932 0.4215 0.4215 0.6125 0.6125 0.9318 0.9318 1.3167 1.3167 2.0592 2.0592 2.6908 2.6908 4.4699 4.4699 5.3795 5.3795 5.9643 5.9643 6.4681 6.4681 k = 0.0000 0.8167 0.2887 ( 8076 PWs) bands (ev): -9.1540 -9.1540 -9.0033 -9.0033 -2.8051 -2.8051 -2.7080 -2.7080 -2.4821 -2.4821 -2.1586 -2.1586 -2.1049 -2.1049 -1.9235 -1.9235 -1.8887 -1.8887 -1.8492 -1.8492 -1.7428 -1.7428 -1.5593 -1.5593 -1.3256 -1.3256 -1.2428 -1.2428 -1.2216 -1.2216 -1.1463 -1.1463 -1.0309 -1.0309 -0.9714 -0.9714 -0.9406 -0.9406 -0.7802 -0.7802 -0.6742 -0.6742 -0.4632 -0.4632 0.1631 0.1631 0.3934 0.3934 0.4215 0.4215 0.6125 0.6125 0.9315 0.9315 1.3169 1.3169 2.0589 2.0589 2.6876 2.6876 4.4704 4.4704 5.3817 5.3817 5.9649 5.9649 6.4677 6.4677 k = 0.0000 0.8167 0.2887 ( 8076 PWs) bands (ev): -9.1540 -9.1540 -9.0033 -9.0033 -2.8051 -2.8051 -2.7080 -2.7080 -2.4821 -2.4821 -2.1586 -2.1586 -2.1049 -2.1049 -1.9235 -1.9235 -1.8887 -1.8887 -1.8492 -1.8492 -1.7428 -1.7428 -1.5593 -1.5593 -1.3256 -1.3256 -1.2428 -1.2428 -1.2216 -1.2216 -1.1463 -1.1463 -1.0309 -1.0309 -0.9714 -0.9714 -0.9406 -0.9406 -0.7802 -0.7802 -0.6742 -0.6742 -0.4632 -0.4632 0.1631 0.1631 0.3934 0.3934 0.4215 0.4215 0.6125 0.6125 0.9315 0.9315 1.3169 1.3169 2.0589 2.0589 2.6876 2.6876 4.4704 4.4704 5.3817 5.3817 5.9649 5.9649 6.4677 6.4677 k = 0.0217 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.1538 -9.1538 -9.0034 -9.0034 -2.8045 -2.8045 -2.7079 -2.7079 -2.4817 -2.4817 -2.1583 -2.1583 -2.1062 -2.1062 -1.9240 -1.9240 -1.8911 -1.8911 -1.8469 -1.8469 -1.7426 -1.7426 -1.5592 -1.5592 -1.3260 -1.3260 -1.2438 -1.2438 -1.2212 -1.2212 -1.1461 -1.1461 -1.0312 -1.0312 -0.9708 -0.9708 -0.9408 -0.9408 -0.7803 -0.7803 -0.6745 -0.6745 -0.4647 -0.4647 0.1620 0.1620 0.3953 0.3953 0.4229 0.4229 0.6138 0.6138 0.9258 0.9258 1.3164 1.3164 2.0679 2.0679 2.6911 2.6911 4.4697 4.4697 5.3765 5.3765 5.9559 5.9559 6.4579 6.4579 k = 0.0435 0.8167 0.2887 ( 8066 PWs) bands (ev): -9.1532 -9.1532 -9.0038 -9.0038 -2.8029 -2.8029 -2.7075 -2.7075 -2.4807 -2.4807 -2.1574 -2.1574 -2.1098 -2.1098 -1.9258 -1.9258 -1.8969 -1.8969 -1.8414 -1.8414 -1.7420 -1.7420 -1.5591 -1.5591 -1.3275 -1.3275 -1.2469 -1.2469 -1.2203 -1.2203 -1.1456 -1.1456 -1.0321 -1.0321 -0.9689 -0.9689 -0.9415 -0.9415 -0.7804 -0.7804 -0.6757 -0.6757 -0.4690 -0.4690 0.1586 0.1586 0.4010 0.4010 0.4269 0.4269 0.6178 0.6178 0.9094 0.9094 1.3151 1.3151 2.0941 2.0941 2.7015 2.7015 4.4674 4.4674 5.3612 5.3612 5.9308 5.9308 6.4319 6.4319 k = 0.0652 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.1521 -9.1521 -9.0045 -9.0045 -2.8002 -2.8002 -2.7070 -2.7070 -2.4789 -2.4789 -2.1560 -2.1560 -2.1158 -2.1158 -1.9287 -1.9287 -1.9041 -1.9041 -1.8350 -1.8350 -1.7410 -1.7410 -1.5587 -1.5587 -1.3300 -1.3300 -1.2517 -1.2517 -1.2191 -1.2191 -1.1447 -1.1447 -1.0336 -1.0336 -0.9660 -0.9660 -0.9425 -0.9425 -0.7806 -0.7806 -0.6776 -0.6776 -0.4759 -0.4759 0.1536 0.1536 0.4097 0.4097 0.4336 0.4336 0.6244 0.6244 0.8839 0.8839 1.3129 1.3129 2.1361 2.1361 2.7186 2.7186 4.4636 4.4636 5.3365 5.3365 5.8941 5.8941 6.3970 6.3970 k = 0.0870 0.8167 0.2887 ( 8060 PWs) bands (ev): -9.1507 -9.1507 -9.0055 -9.0055 -2.7965 -2.7965 -2.7062 -2.7062 -2.4765 -2.4765 -2.1540 -2.1540 -2.1238 -2.1238 -1.9326 -1.9326 -1.9114 -1.9114 -1.8292 -1.8292 -1.7394 -1.7394 -1.5581 -1.5581 -1.3336 -1.3336 -1.2580 -1.2580 -1.2177 -1.2177 -1.1432 -1.1432 -1.0357 -1.0357 -0.9622 -0.9622 -0.9435 -0.9435 -0.7808 -0.7808 -0.6801 -0.6801 -0.4853 -0.4853 0.1474 0.1474 0.4207 0.4207 0.4426 0.4426 0.6333 0.6333 0.8516 0.8516 1.3098 1.3098 2.1915 2.1915 2.7424 2.7424 4.4584 4.4584 5.3035 5.3035 5.8504 5.8504 6.3592 6.3592 k = 0.1087 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.1488 -9.1488 -9.0067 -9.0067 -2.7918 -2.7918 -2.7051 -2.7051 -2.4734 -2.4734 -2.1518 -2.1518 -2.1333 -2.1333 -1.9373 -1.9373 -1.9185 -1.9185 -1.8247 -1.8247 -1.7372 -1.7372 -1.5572 -1.5572 -1.3383 -1.3383 -1.2657 -1.2657 -1.2165 -1.2165 -1.1411 -1.1411 -1.0386 -1.0386 -0.9584 -0.9584 -0.9440 -0.9440 -0.7810 -0.7810 -0.6833 -0.6833 -0.4966 -0.4966 0.1405 0.1405 0.4331 0.4331 0.4539 0.4539 0.6444 0.6444 0.8148 0.8148 1.3057 1.3057 2.2583 2.2583 2.7727 2.7727 4.4519 4.4519 5.2637 5.2637 5.8034 5.8034 6.3210 6.3210 k = 0.1304 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.1466 -9.1466 -9.0082 -9.0082 -2.7863 -2.7863 -2.7039 -2.7039 -2.4697 -2.4697 -2.1516 -2.1516 -2.1418 -2.1418 -1.9427 -1.9427 -1.9251 -1.9251 -1.8220 -1.8220 -1.7342 -1.7342 -1.5560 -1.5560 -1.3443 -1.3443 -1.2748 -1.2748 -1.2154 -1.2154 -1.1382 -1.1382 -1.0421 -1.0421 -0.9563 -0.9563 -0.9420 -0.9420 -0.7812 -0.7812 -0.6871 -0.6871 -0.5095 -0.5095 0.1336 0.1336 0.4457 0.4457 0.4673 0.4673 0.6572 0.6572 0.7760 0.7760 1.3006 1.3006 2.3343 2.3343 2.8090 2.8090 4.4443 4.4443 5.2184 5.2184 5.7558 5.7558 6.2836 6.2836 k = 0.1522 0.8167 0.2887 ( 8070 PWs) bands (ev): -9.1440 -9.1440 -9.0100 -9.0100 -2.7801 -2.7801 -2.7024 -2.7024 -2.4655 -2.4655 -2.1605 -2.1605 -2.1419 -2.1419 -1.9486 -1.9486 -1.9312 -1.9312 -1.8213 -1.8213 -1.7305 -1.7305 -1.5544 -1.5544 -1.3514 -1.3514 -1.2851 -1.2851 -1.2143 -1.2143 -1.1348 -1.1348 -1.0464 -1.0464 -0.9571 -0.9571 -0.9364 -0.9364 -0.7812 -0.7812 -0.6913 -0.6913 -0.5236 -0.5236 0.1269 0.1269 0.4571 0.4571 0.4824 0.4824 0.6712 0.6712 0.7379 0.7379 1.2944 1.2944 2.4176 2.4176 2.8511 2.8511 4.4358 4.4358 5.1689 5.1689 5.7091 5.7091 6.2471 6.2471 k = 0.1739 0.8167 0.2887 ( 8064 PWs) bands (ev): -9.1410 -9.1410 -9.0120 -9.0120 -2.7732 -2.7732 -2.7007 -2.7007 -2.4606 -2.4606 -2.1736 -2.1736 -2.1382 -2.1382 -1.9547 -1.9547 -1.9369 -1.9369 -1.8224 -1.8224 -1.7261 -1.7261 -1.5525 -1.5525 -1.3599 -1.3599 -1.2965 -1.2965 -1.2133 -1.2133 -1.1307 -1.1307 -1.0514 -1.0514 -0.9593 -0.9593 -0.9287 -0.9287 -0.7812 -0.7812 -0.6959 -0.6959 -0.5384 -0.5384 0.1207 0.1207 0.4656 0.4656 0.4989 0.4989 0.6822 0.6822 0.7073 0.7073 1.2872 1.2872 2.5068 2.5068 2.8986 2.8986 4.4266 4.4266 5.1166 5.1166 5.6647 5.6647 6.2114 6.2114 k = 0.1957 0.8167 0.2887 ( 8074 PWs) bands (ev): -9.1378 -9.1378 -9.0144 -9.0144 -2.7658 -2.7658 -2.6989 -2.6989 -2.4554 -2.4554 -2.1876 -2.1876 -2.1336 -2.1336 -1.9608 -1.9608 -1.9424 -1.9424 -1.8252 -1.8252 -1.7213 -1.7213 -1.5503 -1.5503 -1.3696 -1.3696 -1.3088 -1.3088 -1.2124 -1.2124 -1.1262 -1.1262 -1.0569 -1.0569 -0.9623 -0.9623 -0.9197 -0.9197 -0.7810 -0.7810 -0.7008 -0.7008 -0.5536 -0.5536 0.1152 0.1152 0.4687 0.4687 0.5163 0.5163 0.6664 0.6664 0.7106 0.7106 1.2788 1.2788 2.6006 2.6006 2.9508 2.9508 4.4170 4.4170 5.0626 5.0626 5.6233 5.6233 6.1765 6.1765 k = 0.2174 0.8167 0.2887 ( 8068 PWs) bands (ev): -9.1341 -9.1341 -9.0169 -9.0169 -2.7581 -2.7581 -2.6970 -2.6970 -2.4496 -2.4496 -2.2021 -2.2021 -2.1284 -2.1284 -1.9668 -1.9668 -1.9475 -1.9475 -1.8293 -1.8293 -1.7162 -1.7162 -1.5480 -1.5480 -1.3805 -1.3805 -1.3219 -1.3219 -1.2114 -1.2114 -1.1216 -1.1216 -1.0627 -1.0627 -0.9657 -0.9657 -0.9097 -0.9097 -0.7806 -0.7806 -0.7060 -0.7060 -0.5688 -0.5688 0.1105 0.1105 0.4634 0.4634 0.5344 0.5344 0.6473 0.6473 0.7278 0.7278 1.2692 1.2692 2.6977 2.6977 3.0073 3.0073 4.4073 4.4073 5.0077 5.0077 5.5855 5.5855 6.1422 6.1422 k = 0.2391 0.8167 0.2887 ( 8084 PWs) bands (ev): -9.1303 -9.1303 -9.0198 -9.0198 -2.7502 -2.7502 -2.6949 -2.6949 -2.4436 -2.4436 -2.2167 -2.2167 -2.1227 -2.1227 -1.9726 -1.9726 -1.9524 -1.9524 -1.8345 -1.8345 -1.7109 -1.7109 -1.5456 -1.5456 -1.3926 -1.3926 -1.3355 -1.3355 -1.2104 -1.2104 -1.1175 -1.1175 -1.0684 -1.0684 -0.9692 -0.9692 -0.8992 -0.8992 -0.7799 -0.7799 -0.7113 -0.7113 -0.5839 -0.5839 0.1069 0.1069 0.4482 0.4482 0.5525 0.5525 0.6384 0.6384 0.7470 0.7470 1.2583 1.2583 2.7971 2.7971 3.0673 3.0673 4.3977 4.3977 4.9528 4.9528 5.5517 5.5517 6.1085 6.1085 k = 0.2609 0.8167 0.2887 ( 8082 PWs) bands (ev): -9.1261 -9.1261 -9.0229 -9.0229 -2.7422 -2.7422 -2.6927 -2.6927 -2.4372 -2.4372 -2.2312 -2.2312 -2.1165 -2.1165 -1.9778 -1.9778 -1.9570 -1.9570 -1.8406 -1.8406 -1.7053 -1.7053 -1.5433 -1.5433 -1.4059 -1.4059 -1.3493 -1.3493 -1.2093 -1.2093 -1.1145 -1.1145 -1.0732 -1.0732 -0.9730 -0.9730 -0.8881 -0.8881 -0.7790 -0.7790 -0.7166 -0.7166 -0.5985 -0.5985 0.1042 0.1042 0.4248 0.4248 0.5705 0.5705 0.6388 0.6388 0.7674 0.7674 1.2462 1.2462 2.8977 2.8977 3.1300 3.1300 4.3886 4.3886 4.8985 4.8985 5.5223 5.5223 6.0752 6.0752 k = 0.2826 0.8167 0.2887 ( 8090 PWs) bands (ev): -9.1217 -9.1217 -9.0262 -9.0262 -2.7344 -2.7344 -2.6905 -2.6905 -2.4306 -2.4306 -2.2454 -2.2454 -2.1101 -2.1101 -1.9826 -1.9826 -1.9612 -1.9612 -1.8473 -1.8473 -1.6994 -1.6994 -1.5413 -1.5413 -1.4199 -1.4199 -1.3631 -1.3631 -1.2081 -1.2081 -1.1141 -1.1141 -1.0756 -1.0756 -0.9768 -0.9768 -0.8766 -0.8766 -0.7778 -0.7778 -0.7220 -0.7220 -0.6127 -0.6127 0.1027 0.1027 0.3967 0.3967 0.5881 0.5881 0.6452 0.6452 0.7886 0.7886 1.2327 1.2327 2.9983 2.9983 3.1947 3.1947 4.3803 4.3803 4.8453 4.8453 5.4975 5.4975 6.0421 6.0421 k = 0.3043 0.8167 0.2887 ( 8104 PWs) bands (ev): -9.1171 -9.1171 -9.0298 -9.0298 -2.7268 -2.7268 -2.6883 -2.6883 -2.4238 -2.4238 -2.2592 -2.2592 -2.1033 -2.1033 -1.9870 -1.9870 -1.9649 -1.9649 -1.8546 -1.8546 -1.6933 -1.6933 -1.5397 -1.5397 -1.4346 -1.4346 -1.3767 -1.3767 -1.2067 -1.2067 -1.1170 -1.1170 -1.0748 -1.0748 -0.9808 -0.9808 -0.8650 -0.8650 -0.7762 -0.7762 -0.7272 -0.7272 -0.6264 -0.6264 0.1023 0.1023 0.3669 0.3669 0.6049 0.6049 0.6546 0.6546 0.8107 0.8107 1.2180 1.2180 3.0977 3.0977 3.2602 3.2602 4.3732 4.3732 4.7936 4.7936 5.4777 5.4777 6.0090 6.0090 k = 0.3261 0.8167 0.2887 ( 8108 PWs) bands (ev): -9.1123 -9.1123 -9.0336 -9.0336 -2.7196 -2.7196 -2.6862 -2.6862 -2.4168 -2.4168 -2.2725 -2.2725 -2.0963 -2.0963 -1.9910 -1.9910 -1.9677 -1.9677 -1.8622 -1.8622 -1.6868 -1.6868 -1.5390 -1.5390 -1.4492 -1.4492 -1.3899 -1.3899 -1.2052 -1.2052 -1.1226 -1.1226 -1.0713 -1.0713 -0.9849 -0.9849 -0.8533 -0.8533 -0.7743 -0.7743 -0.7323 -0.7323 -0.6394 -0.6394 0.1031 0.1031 0.3372 0.3372 0.6209 0.6209 0.6649 0.6649 0.8335 0.8335 1.2020 1.2020 3.1946 3.1946 3.3255 3.3255 4.3677 4.3677 4.7438 4.7438 5.4633 5.4633 5.9753 5.9753 k = 0.3478 0.8167 0.2887 ( 8106 PWs) bands (ev): -9.1074 -9.1074 -9.0377 -9.0377 -2.7129 -2.7129 -2.6843 -2.6843 -2.4098 -2.4098 -2.2852 -2.2852 -2.0891 -2.0891 -1.9952 -1.9952 -1.9691 -1.9691 -1.8703 -1.8703 -1.6798 -1.6798 -1.5396 -1.5396 -1.4628 -1.4628 -1.4026 -1.4026 -1.2033 -1.2033 -1.1298 -1.1298 -1.0663 -1.0663 -0.9891 -0.9891 -0.8417 -0.8417 -0.7720 -0.7720 -0.7372 -0.7372 -0.6520 -0.6520 0.1052 0.1052 0.3085 0.3085 0.6359 0.6359 0.6751 0.6751 0.8571 0.8571 1.1846 1.1846 3.2872 3.2872 3.3893 3.3893 4.3642 4.3642 4.6961 4.6961 5.4547 5.4547 5.9402 5.9402 k = 0.3696 0.8167 0.2887 ( 8114 PWs) bands (ev): -9.1023 -9.1023 -9.0419 -9.0419 -2.7067 -2.7067 -2.6826 -2.6826 -2.4026 -2.4026 -2.2973 -2.2973 -2.0818 -2.0818 -1.9998 -1.9998 -1.9688 -1.9688 -1.8787 -1.8787 -1.6722 -1.6722 -1.5426 -1.5426 -1.4741 -1.4741 -1.4147 -1.4147 -1.2012 -1.2012 -1.1375 -1.1375 -1.0605 -1.0605 -0.9935 -0.9935 -0.8303 -0.8303 -0.7695 -0.7695 -0.7416 -0.7416 -0.6641 -0.6641 0.1086 0.1086 0.2813 0.2813 0.6497 0.6497 0.6842 0.6842 0.8813 0.8813 1.1661 1.1661 3.3739 3.3739 3.4501 3.4501 4.3630 4.3630 4.6506 4.6506 5.4525 5.4525 5.9024 5.9024 k = 0.3913 0.8167 0.2887 ( 8110 PWs) bands (ev): -9.0971 -9.0971 -9.0464 -9.0464 -2.7011 -2.7011 -2.6813 -2.6813 -2.3954 -2.3954 -2.3088 -2.3088 -2.0743 -2.0743 -2.0050 -2.0050 -1.9666 -1.9666 -1.8873 -1.8873 -1.6640 -1.6640 -1.5488 -1.5488 -1.4818 -1.4818 -1.4263 -1.4263 -1.1986 -1.1986 -1.1453 -1.1453 -1.0543 -1.0543 -0.9980 -0.9980 -0.8194 -0.8194 -0.7670 -0.7670 -0.7453 -0.7453 -0.6758 -0.6758 0.1134 0.1134 0.2561 0.2561 0.6622 0.6622 0.6918 0.6918 0.9061 0.9061 1.1463 1.1463 3.4525 3.4525 3.5065 3.5065 4.3648 4.3648 4.6076 4.6076 5.4573 5.4573 5.8608 5.8608 k = 0.4130 0.8167 0.2887 ( 8106 PWs) bands (ev): -9.0919 -9.0919 -9.0510 -9.0510 -2.6962 -2.6962 -2.6804 -2.6804 -2.3881 -2.3881 -2.3196 -2.3196 -2.0669 -2.0669 -2.0107 -2.0107 -1.9625 -1.9625 -1.8963 -1.8963 -1.6549 -1.6549 -1.5585 -1.5585 -1.4852 -1.4852 -1.4371 -1.4371 -1.1957 -1.1957 -1.1530 -1.1530 -1.0481 -1.0481 -1.0028 -1.0028 -0.8092 -0.8092 -0.7652 -0.7652 -0.7474 -0.7474 -0.6870 -0.6870 0.1197 0.1197 0.2329 0.2329 0.6732 0.6732 0.6977 0.6977 0.9313 0.9313 1.1254 1.1254 3.5209 3.5209 3.5566 3.5566 4.3701 4.3701 4.5671 4.5671 5.4698 5.4698 5.8142 5.8142 k = 0.4348 0.8167 0.2887 ( 8108 PWs) bands (ev): -9.0866 -9.0866 -9.0558 -9.0558 -2.6919 -2.6919 -2.6801 -2.6801 -2.3807 -2.3807 -2.3298 -2.3298 -2.0594 -2.0594 -2.0169 -2.0169 -1.9569 -1.9569 -1.9055 -1.9055 -1.6451 -1.6451 -1.5706 -1.5706 -1.4852 -1.4852 -1.4472 -1.4472 -1.1923 -1.1923 -1.1602 -1.1602 -1.0418 -1.0418 -1.0077 -1.0077 -0.7998 -0.7998 -0.7656 -0.7656 -0.7464 -0.7464 -0.6979 -0.6979 0.1275 0.1275 0.2119 0.2119 0.6827 0.6827 0.7015 0.7015 0.9567 0.9567 1.1034 1.1034 3.5768 3.5768 3.5986 3.5986 4.3794 4.3794 4.5293 4.5293 5.4907 5.4907 5.7630 5.7630 k = 0.4565 0.8167 0.2887 ( 8100 PWs) bands (ev): -9.0813 -9.0813 -9.0607 -9.0607 -2.6883 -2.6883 -2.6804 -2.6804 -2.3730 -2.3730 -2.3394 -2.3394 -2.0519 -2.0519 -2.0235 -2.0235 -1.9500 -1.9500 -1.9149 -1.9149 -1.6344 -1.6344 -1.5838 -1.5838 -1.4825 -1.4825 -1.4564 -1.4564 -1.1883 -1.1883 -1.1670 -1.1670 -1.0357 -1.0357 -1.0129 -1.0129 -0.7915 -0.7915 -0.7684 -0.7684 -0.7420 -0.7420 -0.7082 -0.7082 0.1369 0.1369 0.1929 0.1929 0.6906 0.6906 0.7034 0.7034 0.9821 0.9821 1.0805 1.0805 3.6184 3.6184 3.6302 3.6302 4.3932 4.3932 4.4944 4.4944 5.5201 5.5201 5.7088 5.7088 k = 0.4783 0.8167 0.2887 ( 8122 PWs) bands (ev): -9.0761 -9.0761 -9.0657 -9.0657 -2.6853 -2.6853 -2.6814 -2.6814 -2.3652 -2.3652 -2.3484 -2.3484 -2.0446 -2.0446 -2.0303 -2.0303 -1.9421 -1.9421 -1.9243 -1.9243 -1.6228 -1.6228 -1.5973 -1.5973 -1.4780 -1.4780 -1.4648 -1.4648 -1.1839 -1.1839 -1.1732 -1.1732 -1.0297 -1.0297 -1.0183 -1.0183 -0.7843 -0.7843 -0.7728 -0.7728 -0.7354 -0.7354 -0.7181 -0.7181 0.1481 0.1481 0.1760 0.1760 0.6967 0.6967 0.7031 0.7031 1.0074 1.0074 1.0567 1.0567 3.6445 3.6445 3.6495 3.6495 4.4119 4.4119 4.4629 4.4629 5.5580 5.5580 5.6546 5.6546 k = 0.5000 0.8167 0.2887 ( 8120 PWs) bands (ev): -9.0709 -9.0709 -9.0709 -9.0709 -2.6830 -2.6830 -2.6830 -2.6830 -2.3570 -2.3570 -2.3570 -2.3570 -2.0374 -2.0374 -2.0374 -2.0374 -1.9334 -1.9334 -1.9334 -1.9334 -1.6104 -1.6104 -1.6104 -1.6104 -1.4720 -1.4720 -1.4720 -1.4720 -1.1788 -1.1788 -1.1788 -1.1788 -1.0239 -1.0239 -1.0239 -1.0239 -0.7781 -0.7781 -0.7781 -0.7781 -0.7273 -0.7273 -0.7273 -0.7273 0.1611 0.1611 0.1611 0.1611 0.7009 0.7009 0.7009 0.7009 1.0323 1.0323 1.0323 1.0323 3.6547 3.6547 3.6547 3.6547 4.4352 4.4352 4.4352 4.4352 5.6034 5.6034 5.6034 5.6034 k = 0.5000 0.8167 0.2887 ( 8120 PWs) bands (ev): -9.0709 -9.0709 -9.0709 -9.0709 -2.6830 -2.6830 -2.6830 -2.6830 -2.3570 -2.3570 -2.3570 -2.3570 -2.0374 -2.0374 -2.0374 -2.0374 -1.9334 -1.9334 -1.9334 -1.9334 -1.6104 -1.6104 -1.6104 -1.6104 -1.4720 -1.4720 -1.4720 -1.4720 -1.1788 -1.1788 -1.1788 -1.1788 -1.0239 -1.0239 -1.0239 -1.0239 -0.7781 -0.7781 -0.7781 -0.7781 -0.7273 -0.7273 -0.7273 -0.7273 0.1611 0.1611 0.1611 0.1611 0.7009 0.7009 0.7009 0.7009 1.0323 1.0323 1.0323 1.0323 3.6547 3.6547 3.6547 3.6547 4.4352 4.4352 4.4352 4.4352 5.6034 5.6034 5.6034 5.6034 k = 0.5000 0.8230 0.2707 ( 8120 PWs) bands (ev): -9.0709 -9.0709 -9.0709 -9.0709 -2.6831 -2.6831 -2.6830 -2.6830 -2.3570 -2.3570 -2.3570 -2.3570 -2.0375 -2.0375 -2.0372 -2.0372 -1.9340 -1.9340 -1.9331 -1.9331 -1.6111 -1.6111 -1.6097 -1.6097 -1.4720 -1.4720 -1.4720 -1.4720 -1.1788 -1.1788 -1.1786 -1.1786 -1.0241 -1.0241 -1.0238 -1.0238 -0.7784 -0.7784 -0.7778 -0.7778 -0.7274 -0.7274 -0.7273 -0.7273 0.1601 0.1601 0.1609 0.1609 0.7017 0.7017 0.7021 0.7021 1.0325 1.0325 1.0327 1.0327 3.6553 3.6553 3.6556 3.6556 4.4329 4.4329 4.4342 4.4342 5.5983 5.5983 5.5986 5.5986 k = 0.5000 0.8294 0.2527 ( 8110 PWs) bands (ev): -9.0709 -9.0709 -9.0709 -9.0709 -2.6831 -2.6831 -2.6831 -2.6831 -2.3570 -2.3570 -2.3569 -2.3569 -2.0376 -2.0376 -2.0371 -2.0371 -1.9349 -1.9349 -1.9331 -1.9331 -1.6119 -1.6119 -1.6090 -1.6090 -1.4719 -1.4719 -1.4718 -1.4718 -1.1787 -1.1787 -1.1783 -1.1783 -1.0242 -1.0242 -1.0237 -1.0237 -0.7788 -0.7788 -0.7775 -0.7775 -0.7278 -0.7278 -0.7276 -0.7276 0.1579 0.1579 0.1596 0.1596 0.7046 0.7046 0.7054 0.7054 1.0334 1.0334 1.0336 1.0336 3.6573 3.6573 3.6580 3.6580 4.4274 4.4274 4.4300 4.4300 5.5838 5.5838 5.5844 5.5844 k = 0.5000 0.8358 0.2346 ( 8116 PWs) bands (ev): -9.0710 -9.0710 -9.0710 -9.0710 -2.6832 -2.6832 -2.6831 -2.6831 -2.3570 -2.3570 -2.3568 -2.3568 -2.0377 -2.0377 -2.0369 -2.0369 -1.9362 -1.9362 -1.9334 -1.9334 -1.6126 -1.6126 -1.6085 -1.6085 -1.4717 -1.4717 -1.4716 -1.4716 -1.1783 -1.1783 -1.1778 -1.1778 -1.0244 -1.0244 -1.0237 -1.0237 -0.7792 -0.7792 -0.7773 -0.7773 -0.7283 -0.7283 -0.7281 -0.7281 0.1546 0.1546 0.1571 0.1571 0.7096 0.7096 0.7107 0.7107 1.0348 1.0348 1.0352 1.0352 3.6607 3.6607 3.6616 3.6616 4.4187 4.4187 4.4226 4.4226 5.5615 5.5615 5.5619 5.5619 k = 0.5000 0.8422 0.2166 ( 8112 PWs) bands (ev): -9.0711 -9.0711 -9.0711 -9.0711 -2.6834 -2.6834 -2.6832 -2.6832 -2.3570 -2.3570 -2.3567 -2.3567 -2.0377 -2.0377 -2.0367 -2.0367 -1.9377 -1.9377 -1.9341 -1.9341 -1.6135 -1.6135 -1.6080 -1.6080 -1.4715 -1.4715 -1.4714 -1.4714 -1.1779 -1.1779 -1.1771 -1.1771 -1.0246 -1.0246 -1.0237 -1.0237 -0.7797 -0.7797 -0.7771 -0.7771 -0.7291 -0.7291 -0.7288 -0.7288 0.1504 0.1504 0.1537 0.1537 0.7163 0.7163 0.7177 0.7177 1.0367 1.0367 1.0373 1.0373 3.6654 3.6654 3.6667 3.6667 4.4071 4.4071 4.4123 4.4123 5.5331 5.5331 5.5332 5.5332 k = 0.5000 0.8486 0.1985 ( 8112 PWs) bands (ev): -9.0712 -9.0712 -9.0712 -9.0712 -2.6835 -2.6835 -2.6834 -2.6834 -2.3569 -2.3569 -2.3566 -2.3566 -2.0378 -2.0378 -2.0365 -2.0365 -1.9394 -1.9394 -1.9350 -1.9350 -1.6143 -1.6143 -1.6076 -1.6076 -1.4711 -1.4711 -1.4711 -1.4711 -1.1773 -1.1773 -1.1763 -1.1763 -1.0249 -1.0249 -1.0237 -1.0237 -0.7801 -0.7801 -0.7770 -0.7770 -0.7300 -0.7300 -0.7297 -0.7297 0.1453 0.1453 0.1493 0.1493 0.7247 0.7247 0.7263 0.7263 1.0392 1.0392 1.0399 1.0399 3.6713 3.6713 3.6729 3.6729 4.3927 4.3927 4.3992 4.3992 5.4997 5.4997 5.5005 5.5005 k = 0.5000 0.8549 0.1805 ( 8106 PWs) bands (ev): -9.0714 -9.0714 -9.0714 -9.0714 -2.6837 -2.6837 -2.6835 -2.6835 -2.3568 -2.3568 -2.3564 -2.3564 -2.0378 -2.0378 -2.0362 -2.0362 -1.9413 -1.9413 -1.9362 -1.9362 -1.6151 -1.6151 -1.6072 -1.6072 -1.4707 -1.4707 -1.4707 -1.4707 -1.1765 -1.1765 -1.1754 -1.1754 -1.0252 -1.0252 -1.0237 -1.0237 -0.7806 -0.7806 -0.7769 -0.7769 -0.7310 -0.7310 -0.7307 -0.7307 0.1396 0.1396 0.1441 0.1441 0.7345 0.7345 0.7363 0.7363 1.0423 1.0423 1.0431 1.0431 3.6782 3.6782 3.6801 3.6801 4.3760 4.3760 4.3837 4.3837 5.4635 5.4635 5.4652 5.4652 k = 0.5000 0.8613 0.1625 ( 8106 PWs) bands (ev): -9.0716 -9.0716 -9.0716 -9.0716 -2.6839 -2.6839 -2.6837 -2.6837 -2.3567 -2.3567 -2.3563 -2.3563 -2.0379 -2.0379 -2.0360 -2.0360 -1.9434 -1.9434 -1.9376 -1.9376 -1.6159 -1.6159 -1.6070 -1.6070 -1.4703 -1.4703 -1.4703 -1.4703 -1.1756 -1.1756 -1.1744 -1.1744 -1.0255 -1.0255 -1.0238 -1.0238 -0.7811 -0.7811 -0.7769 -0.7769 -0.7321 -0.7321 -0.7319 -0.7319 0.1332 0.1332 0.1382 0.1382 0.7455 0.7455 0.7473 0.7473 1.0458 1.0458 1.0467 1.0467 3.6860 3.6860 3.6882 3.6882 4.3574 4.3574 4.3663 4.3663 5.4258 5.4258 5.4286 5.4286 k = 0.5000 0.8677 0.1444 ( 8086 PWs) bands (ev): -9.0718 -9.0718 -9.0718 -9.0718 -2.6841 -2.6841 -2.6838 -2.6838 -2.3566 -2.3566 -2.3561 -2.3561 -2.0379 -2.0379 -2.0357 -2.0357 -1.9456 -1.9456 -1.9392 -1.9392 -1.6166 -1.6166 -1.6068 -1.6068 -1.4699 -1.4699 -1.4697 -1.4697 -1.1746 -1.1746 -1.1733 -1.1733 -1.0258 -1.0258 -1.0238 -1.0238 -0.7816 -0.7816 -0.7770 -0.7770 -0.7332 -0.7332 -0.7332 -0.7332 0.1264 0.1264 0.1318 0.1318 0.7574 0.7574 0.7591 0.7591 1.0497 1.0497 1.0507 1.0507 3.6944 3.6944 3.6968 3.6968 4.3374 4.3374 4.3474 4.3474 5.3877 5.3877 5.3916 5.3916 k = 0.5000 0.8677 0.1444 ( 8086 PWs) bands (ev): -9.0718 -9.0718 -9.0718 -9.0718 -2.6841 -2.6841 -2.6838 -2.6838 -2.3566 -2.3566 -2.3561 -2.3561 -2.0379 -2.0379 -2.0357 -2.0357 -1.9456 -1.9456 -1.9392 -1.9392 -1.6166 -1.6166 -1.6068 -1.6068 -1.4699 -1.4699 -1.4697 -1.4697 -1.1746 -1.1746 -1.1733 -1.1733 -1.0258 -1.0258 -1.0238 -1.0238 -0.7816 -0.7816 -0.7770 -0.7770 -0.7332 -0.7332 -0.7332 -0.7332 0.1264 0.1264 0.1318 0.1318 0.7574 0.7574 0.7591 0.7591 1.0497 1.0497 1.0507 1.0507 3.6944 3.6944 3.6968 3.6968 4.3374 4.3374 4.3474 4.3474 5.3877 5.3877 5.3916 5.3916 k = 0.5000 0.8640 0.1238 ( 8096 PWs) bands (ev): -9.0716 -9.0716 -9.0716 -9.0716 -2.6843 -2.6843 -2.6841 -2.6841 -2.3564 -2.3564 -2.3559 -2.3559 -2.0378 -2.0378 -2.0359 -2.0359 -1.9477 -1.9477 -1.9412 -1.9412 -1.6172 -1.6172 -1.6073 -1.6073 -1.4695 -1.4695 -1.4694 -1.4694 -1.1737 -1.1737 -1.1721 -1.1721 -1.0259 -1.0259 -1.0241 -1.0241 -0.7817 -0.7817 -0.7772 -0.7772 -0.7341 -0.7341 -0.7341 -0.7341 0.1249 0.1249 0.1304 0.1304 0.7683 0.7683 0.7699 0.7699 1.0527 1.0527 1.0533 1.0533 3.7060 3.7060 3.7078 3.7078 4.3044 4.3044 4.3159 4.3159 5.3629 5.3629 5.3683 5.3683 k = 0.5000 0.8604 0.1032 ( 8106 PWs) bands (ev): -9.0715 -9.0715 -9.0715 -9.0715 -2.6846 -2.6846 -2.6844 -2.6844 -2.3561 -2.3561 -2.3557 -2.3557 -2.0377 -2.0377 -2.0361 -2.0361 -1.9498 -1.9498 -1.9433 -1.9433 -1.6178 -1.6178 -1.6079 -1.6079 -1.4692 -1.4692 -1.4690 -1.4690 -1.1727 -1.1727 -1.1710 -1.1710 -1.0260 -1.0260 -1.0244 -1.0244 -0.7819 -0.7819 -0.7775 -0.7775 -0.7350 -0.7350 -0.7349 -0.7349 0.1233 0.1233 0.1287 0.1287 0.7794 0.7794 0.7810 0.7810 1.0561 1.0561 1.0564 1.0564 3.7174 3.7174 3.7185 3.7185 4.2719 4.2719 4.2847 4.2847 5.3364 5.3364 5.3432 5.3432 k = 0.5000 0.8568 0.0825 ( 8108 PWs) bands (ev): -9.0714 -9.0714 -9.0713 -9.0713 -2.6848 -2.6848 -2.6846 -2.6846 -2.3559 -2.3559 -2.3555 -2.3555 -2.0376 -2.0376 -2.0362 -2.0362 -1.9519 -1.9519 -1.9454 -1.9454 -1.6184 -1.6184 -1.6086 -1.6086 -1.4689 -1.4689 -1.4686 -1.4686 -1.1717 -1.1717 -1.1699 -1.1699 -1.0261 -1.0261 -1.0248 -1.0248 -0.7820 -0.7820 -0.7777 -0.7777 -0.7359 -0.7359 -0.7358 -0.7358 0.1217 0.1217 0.1269 0.1269 0.7907 0.7907 0.7922 0.7922 1.0598 1.0598 1.0598 1.0598 3.7284 3.7284 3.7288 3.7288 4.2406 4.2406 4.2546 4.2546 5.3087 5.3087 5.3166 5.3166 k = 0.5000 0.8531 0.0619 ( 8110 PWs) bands (ev): -9.0712 -9.0712 -9.0712 -9.0712 -2.6851 -2.6851 -2.6849 -2.6849 -2.3556 -2.3556 -2.3553 -2.3553 -2.0375 -2.0375 -2.0364 -2.0364 -1.9539 -1.9539 -1.9476 -1.9476 -1.6189 -1.6189 -1.6094 -1.6094 -1.4685 -1.4685 -1.4681 -1.4681 -1.1706 -1.1706 -1.1687 -1.1687 -1.0262 -1.0262 -1.0251 -1.0251 -0.7822 -0.7822 -0.7781 -0.7781 -0.7368 -0.7368 -0.7367 -0.7367 0.1200 0.1200 0.1251 0.1251 0.8019 0.8019 0.8032 0.8032 1.0636 1.0636 1.0638 1.0638 3.7383 3.7383 3.7386 3.7386 4.2113 4.2113 4.2260 4.2260 5.2803 5.2803 5.2889 5.2889 k = 0.5000 0.8495 0.0413 ( 8104 PWs) bands (ev): -9.0711 -9.0711 -9.0711 -9.0711 -2.6853 -2.6853 -2.6851 -2.6851 -2.3554 -2.3554 -2.3550 -2.3550 -2.0375 -2.0375 -2.0366 -2.0366 -1.9558 -1.9558 -1.9497 -1.9497 -1.6193 -1.6193 -1.6103 -1.6103 -1.4681 -1.4681 -1.4677 -1.4677 -1.1695 -1.1695 -1.1676 -1.1676 -1.0264 -1.0264 -1.0254 -1.0254 -0.7823 -0.7823 -0.7784 -0.7784 -0.7376 -0.7376 -0.7375 -0.7375 0.1185 0.1185 0.1232 0.1232 0.8127 0.8127 0.8139 0.8139 1.0675 1.0675 1.0679 1.0679 3.7468 3.7468 3.7478 3.7478 4.1846 4.1846 4.1998 4.1998 5.2517 5.2517 5.2607 5.2607 k = 0.5000 0.8458 0.0207 ( 8108 PWs) bands (ev): -9.0710 -9.0710 -9.0710 -9.0710 -2.6855 -2.6855 -2.6853 -2.6853 -2.3551 -2.3551 -2.3548 -2.3548 -2.0374 -2.0374 -2.0367 -2.0367 -1.9575 -1.9575 -1.9518 -1.9518 -1.6197 -1.6197 -1.6112 -1.6112 -1.4677 -1.4677 -1.4673 -1.4673 -1.1684 -1.1684 -1.1666 -1.1666 -1.0265 -1.0265 -1.0257 -1.0257 -0.7824 -0.7824 -0.7787 -0.7787 -0.7384 -0.7384 -0.7383 -0.7383 0.1170 0.1170 0.1214 0.1214 0.8230 0.8230 0.8240 0.8240 1.0714 1.0714 1.0720 1.0720 3.7542 3.7542 3.7559 3.7559 4.1609 4.1609 4.1763 4.1763 5.2236 5.2236 5.2327 5.2327 k = 0.5000 0.8422 0.0000 ( 8112 PWs) bands (ev): -9.0709 -9.0709 -9.0709 -9.0709 -2.6857 -2.6857 -2.6856 -2.6856 -2.3549 -2.3549 -2.3546 -2.3546 -2.0374 -2.0374 -2.0369 -2.0369 -1.9590 -1.9590 -1.9538 -1.9538 -1.6200 -1.6200 -1.6122 -1.6122 -1.4674 -1.4674 -1.4669 -1.4669 -1.1674 -1.1674 -1.1657 -1.1657 -1.0267 -1.0267 -1.0260 -1.0260 -0.7824 -0.7824 -0.7791 -0.7791 -0.7391 -0.7391 -0.7390 -0.7390 0.1156 0.1156 0.1196 0.1196 0.8325 0.8325 0.8334 0.8334 1.0753 1.0753 1.0759 1.0759 3.7602 3.7602 3.7624 3.7624 4.1408 4.1408 4.1558 4.1558 5.1966 5.1966 5.2056 5.2056 k = 0.5000 0.8385-0.0206 ( 8116 PWs) bands (ev): -9.0708 -9.0708 -9.0708 -9.0708 -2.6859 -2.6859 -2.6858 -2.6858 -2.3547 -2.3547 -2.3545 -2.3545 -2.0374 -2.0374 -2.0370 -2.0370 -1.9603 -1.9603 -1.9557 -1.9557 -1.6201 -1.6201 -1.6132 -1.6132 -1.4670 -1.4670 -1.4666 -1.4666 -1.1664 -1.1664 -1.1649 -1.1649 -1.0268 -1.0268 -1.0262 -1.0262 -0.7825 -0.7825 -0.7795 -0.7795 -0.7398 -0.7398 -0.7396 -0.7396 0.1144 0.1144 0.1179 0.1179 0.8412 0.8412 0.8419 0.8419 1.0789 1.0789 1.0796 1.0796 3.7648 3.7648 3.7673 3.7673 4.1244 4.1244 4.1386 4.1386 5.1716 5.1716 5.1801 5.1801 k = 0.5000 0.8349-0.0412 ( 8120 PWs) bands (ev): -9.0707 -9.0707 -9.0707 -9.0707 -2.6861 -2.6861 -2.6860 -2.6860 -2.3544 -2.3544 -2.3543 -2.3543 -2.0374 -2.0374 -2.0371 -2.0371 -1.9614 -1.9614 -1.9574 -1.9574 -1.6202 -1.6202 -1.6142 -1.6142 -1.4667 -1.4667 -1.4663 -1.4663 -1.1655 -1.1655 -1.1642 -1.1642 -1.0270 -1.0270 -1.0265 -1.0265 -0.7825 -0.7825 -0.7800 -0.7800 -0.7403 -0.7403 -0.7401 -0.7401 0.1134 0.1134 0.1164 0.1164 0.8488 0.8488 0.8494 0.8494 1.0823 1.0823 1.0829 1.0829 3.7681 3.7681 3.7707 3.7707 4.1118 4.1118 4.1247 4.1247 5.1491 5.1491 5.1568 5.1568 k = 0.5000 0.8312-0.0618 ( 8128 PWs) bands (ev): -9.0707 -9.0707 -9.0707 -9.0707 -2.6862 -2.6862 -2.6861 -2.6861 -2.3543 -2.3543 -2.3541 -2.3541 -2.0374 -2.0374 -2.0372 -2.0372 -1.9622 -1.9622 -1.9589 -1.9589 -1.6201 -1.6201 -1.6152 -1.6152 -1.4664 -1.4664 -1.4660 -1.4660 -1.1647 -1.1647 -1.1636 -1.1636 -1.0271 -1.0271 -1.0267 -1.0267 -0.7824 -0.7824 -0.7804 -0.7804 -0.7408 -0.7408 -0.7406 -0.7406 0.1126 0.1126 0.1151 0.1151 0.8553 0.8553 0.8558 0.8558 1.0852 1.0852 1.0858 1.0858 3.7702 3.7702 3.7726 3.7726 4.1027 4.1027 4.1138 4.1138 5.1299 5.1299 5.1365 5.1365 k = 0.5000 0.8276-0.0824 ( 8134 PWs) bands (ev): -9.0706 -9.0706 -9.0706 -9.0706 -2.6863 -2.6863 -2.6863 -2.6863 -2.3541 -2.3541 -2.3540 -2.3540 -2.0374 -2.0374 -2.0373 -2.0373 -1.9628 -1.9628 -1.9602 -1.9602 -1.6199 -1.6199 -1.6162 -1.6162 -1.4661 -1.4661 -1.4659 -1.4659 -1.1641 -1.1641 -1.1632 -1.1632 -1.0272 -1.0272 -1.0269 -1.0269 -0.7823 -0.7823 -0.7807 -0.7807 -0.7411 -0.7411 -0.7410 -0.7410 0.1120 0.1120 0.1139 0.1139 0.8604 0.8604 0.8608 0.8608 1.0876 1.0876 1.0881 1.0881 3.7714 3.7714 3.7734 3.7734 4.0968 4.0968 4.1055 4.1055 5.1146 5.1146 5.1197 5.1197 k = 0.5000 0.8240-0.1031 ( 8130 PWs) bands (ev): -9.0706 -9.0706 -9.0706 -9.0706 -2.6864 -2.6864 -2.6864 -2.6864 -2.3540 -2.3540 -2.3539 -2.3539 -2.0374 -2.0374 -2.0373 -2.0373 -1.9630 -1.9630 -1.9613 -1.9613 -1.6195 -1.6195 -1.6170 -1.6170 -1.4659 -1.4659 -1.4658 -1.4658 -1.1635 -1.1635 -1.1629 -1.1629 -1.0273 -1.0273 -1.0271 -1.0271 -0.7822 -0.7822 -0.7811 -0.7811 -0.7414 -0.7414 -0.7413 -0.7413 0.1117 0.1117 0.1130 0.1130 0.8642 0.8642 0.8644 0.8644 1.0894 1.0894 1.0897 1.0897 3.7720 3.7720 3.7735 3.7735 4.0935 4.0935 4.0995 4.0995 5.1035 5.1035 5.1071 5.1071 k = 0.5000 0.8203-0.1237 ( 8134 PWs) bands (ev): -9.0706 -9.0706 -9.0706 -9.0706 -2.6865 -2.6865 -2.6865 -2.6865 -2.3539 -2.3539 -2.3539 -2.3539 -2.0374 -2.0374 -2.0374 -2.0374 -1.9630 -1.9630 -1.9621 -1.9621 -1.6191 -1.6191 -1.6178 -1.6178 -1.4658 -1.4658 -1.4657 -1.4657 -1.1631 -1.1631 -1.1628 -1.1628 -1.0273 -1.0273 -1.0272 -1.0272 -0.7820 -0.7820 -0.7814 -0.7814 -0.7415 -0.7415 -0.7414 -0.7414 0.1117 0.1117 0.1123 0.1123 0.8665 0.8665 0.8666 0.8666 1.0905 1.0905 1.0907 1.0907 3.7725 3.7725 3.7732 3.7732 4.0924 4.0924 4.0955 4.0955 5.0971 5.0971 5.0989 5.0989 k = 0.5000 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0706 -9.0706 -9.0706 -9.0706 -2.6865 -2.6865 -2.6865 -2.6865 -2.3539 -2.3539 -2.3539 -2.3539 -2.0374 -2.0374 -2.0374 -2.0374 -1.9627 -1.9627 -1.9627 -1.9627 -1.6185 -1.6185 -1.6185 -1.6185 -1.4657 -1.4657 -1.4657 -1.4657 -1.1629 -1.1629 -1.1629 -1.1629 -1.0273 -1.0273 -1.0273 -1.0273 -0.7817 -0.7817 -0.7817 -0.7817 -0.7415 -0.7415 -0.7415 -0.7415 0.1118 0.1118 0.1118 0.1118 0.8673 0.8673 0.8673 0.8673 1.0910 1.0910 1.0910 1.0910 3.7729 3.7729 3.7729 3.7729 4.0931 4.0931 4.0931 4.0931 5.0955 5.0955 5.0955 5.0955 k = 0.5000 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0706 -9.0706 -9.0706 -9.0706 -2.6865 -2.6865 -2.6865 -2.6865 -2.3539 -2.3539 -2.3539 -2.3539 -2.0374 -2.0374 -2.0374 -2.0374 -1.9627 -1.9627 -1.9627 -1.9627 -1.6185 -1.6185 -1.6185 -1.6185 -1.4657 -1.4657 -1.4657 -1.4657 -1.1629 -1.1629 -1.1629 -1.1629 -1.0273 -1.0273 -1.0273 -1.0273 -0.7817 -0.7817 -0.7817 -0.7817 -0.7415 -0.7415 -0.7415 -0.7415 0.1118 0.1118 0.1118 0.1118 0.8673 0.8673 0.8673 0.8673 1.0910 1.0910 1.0910 1.0910 3.7729 3.7729 3.7729 3.7729 4.0931 4.0931 4.0931 4.0931 5.0955 5.0955 5.0955 5.0955 k = 0.4783 0.8167-0.1443 ( 8136 PWs) bands (ev): -9.0754 -9.0754 -9.0659 -9.0659 -2.6886 -2.6886 -2.6850 -2.6850 -2.3631 -2.3631 -2.3445 -2.3445 -2.0443 -2.0443 -2.0309 -2.0309 -1.9700 -1.9700 -1.9542 -1.9542 -1.6285 -1.6285 -1.6077 -1.6077 -1.4729 -1.4729 -1.4580 -1.4580 -1.1693 -1.1693 -1.1561 -1.1561 -1.0325 -1.0325 -1.0222 -1.0222 -0.7870 -0.7870 -0.7771 -0.7771 -0.7505 -0.7505 -0.7316 -0.7316 0.0984 0.0984 0.1271 0.1271 0.8637 0.8637 0.8678 0.8678 1.0740 1.0740 1.1072 1.1072 3.7620 3.7620 3.7761 3.7761 4.0430 4.0430 4.1439 4.1439 5.0603 5.0603 5.1342 5.1342 k = 0.4565 0.8167-0.1443 ( 8126 PWs) bands (ev): -9.0802 -9.0802 -9.0612 -9.0612 -2.6912 -2.6912 -2.6840 -2.6840 -2.3721 -2.3721 -2.3347 -2.3347 -2.0514 -2.0514 -2.0251 -2.0251 -1.9758 -1.9758 -1.9449 -1.9449 -1.6376 -1.6376 -1.5962 -1.5962 -1.4793 -1.4793 -1.4497 -1.4497 -1.1751 -1.1751 -1.1488 -1.1488 -1.0379 -1.0379 -1.0173 -1.0173 -0.7934 -0.7934 -0.7730 -0.7730 -0.7581 -0.7581 -0.7209 -0.7209 0.0867 0.0867 0.1441 0.1441 0.8572 0.8572 0.8651 0.8651 1.0563 1.0563 1.1227 1.1227 3.7463 3.7463 3.7661 3.7661 3.9993 3.9993 4.1932 4.1932 5.0297 5.0297 5.1747 5.1747 k = 0.4348 0.8167-0.1443 ( 8128 PWs) bands (ev): -9.0851 -9.0851 -9.0567 -9.0567 -2.6943 -2.6943 -2.6836 -2.6836 -2.3810 -2.3810 -2.3246 -2.3246 -2.0588 -2.0588 -2.0201 -2.0201 -1.9796 -1.9796 -1.9351 -1.9351 -1.6461 -1.6461 -1.5841 -1.5841 -1.4847 -1.4847 -1.4410 -1.4410 -1.1804 -1.1804 -1.1414 -1.1414 -1.0433 -1.0433 -1.0126 -1.0126 -0.8011 -0.8011 -0.7696 -0.7696 -0.7637 -0.7637 -0.7097 -0.7097 0.0767 0.0767 0.1628 0.1628 0.8479 0.8479 0.8593 0.8593 1.0380 1.0380 1.1374 1.1374 3.7262 3.7262 3.7354 3.7354 3.9704 3.9704 4.2403 4.2403 5.0050 5.0050 5.2159 5.2159 k = 0.4130 0.8167-0.1443 ( 8124 PWs) bands (ev): -9.0900 -9.0900 -9.0524 -9.0524 -2.6980 -2.6980 -2.6838 -2.6838 -2.3897 -2.3897 -2.3141 -2.3141 -2.0662 -2.0662 -2.0161 -2.0161 -1.9812 -1.9812 -1.9249 -1.9249 -1.6538 -1.6538 -1.5719 -1.5719 -1.4888 -1.4888 -1.4320 -1.4320 -1.1850 -1.1850 -1.1340 -1.1340 -1.0486 -1.0486 -1.0081 -1.0081 -0.8100 -0.8100 -0.7703 -0.7703 -0.7637 -0.7637 -0.6980 -0.6980 0.0684 0.0684 0.1832 0.1832 0.8362 0.8362 0.8504 0.8504 1.0190 1.0190 1.1512 1.1512 3.6779 3.6779 3.7057 3.7057 3.9597 3.9597 4.2858 4.2858 4.9866 4.9866 5.2566 5.2566 k = 0.3913 0.8167-0.1443 ( 8114 PWs) bands (ev): -9.0948 -9.0948 -9.0482 -9.0482 -2.7022 -2.7022 -2.6845 -2.6845 -2.3983 -2.3983 -2.3031 -2.3031 -2.0736 -2.0736 -2.0129 -2.0129 -1.9806 -1.9806 -1.9147 -1.9147 -1.6611 -1.6611 -1.5603 -1.5603 -1.4909 -1.4909 -1.4225 -1.4225 -1.1891 -1.1891 -1.1268 -1.1268 -1.0538 -1.0538 -1.0039 -1.0039 -0.8198 -0.8198 -0.7736 -0.7736 -0.7600 -0.7600 -0.6858 -0.6858 0.0617 0.0617 0.2051 0.2051 0.8224 0.8224 0.8387 0.8387 0.9994 0.9994 1.1641 1.1641 3.6038 3.6038 3.6803 3.6803 3.9626 3.9626 4.3304 4.3304 4.9749 4.9749 5.2964 5.2964 k = 0.3696 0.8167-0.1443 ( 8116 PWs) bands (ev): -9.0996 -9.0996 -9.0441 -9.0441 -2.7070 -2.7070 -2.6856 -2.6856 -2.4066 -2.4066 -2.2915 -2.2915 -2.0811 -2.0811 -2.0100 -2.0100 -1.9784 -1.9784 -1.9046 -1.9046 -1.6679 -1.6679 -1.5506 -1.5506 -1.4900 -1.4900 -1.4127 -1.4127 -1.1926 -1.1926 -1.1204 -1.1204 -1.0583 -1.0583 -0.9998 -0.9998 -0.8303 -0.8303 -0.7764 -0.7764 -0.7559 -0.7559 -0.6731 -0.6731 0.0567 0.0567 0.2284 0.2284 0.8065 0.8065 0.8246 0.8246 0.9793 0.9793 1.1761 1.1761 3.5176 3.5176 3.6526 3.6526 3.9734 3.9734 4.3746 4.3746 4.9700 4.9700 5.3351 5.3351 k = 0.3478 0.8167-0.1443 ( 8118 PWs) bands (ev): -9.1043 -9.1043 -9.0403 -9.0403 -2.7124 -2.7124 -2.6871 -2.6871 -2.4147 -2.4147 -2.2795 -2.2795 -2.0885 -2.0885 -2.0068 -2.0068 -1.9750 -1.9750 -1.8947 -1.8947 -1.6744 -1.6744 -1.5442 -1.5442 -1.4850 -1.4850 -1.4024 -1.4024 -1.1956 -1.1956 -1.1153 -1.1153 -1.0619 -1.0619 -0.9958 -0.9958 -0.8413 -0.8413 -0.7786 -0.7786 -0.7515 -0.7515 -0.6598 -0.6598 0.0532 0.0532 0.2527 0.2527 0.7885 0.7885 0.8093 0.8093 0.9588 0.9588 1.1872 1.1872 3.4238 3.4238 3.6226 3.6226 3.9888 3.9888 4.4192 4.4192 4.9718 4.9718 5.3728 5.3728 k = 0.3261 0.8167-0.1443 ( 8116 PWs) bands (ev): -9.1089 -9.1089 -9.0366 -9.0366 -2.7184 -2.7184 -2.6888 -2.6888 -2.4225 -2.4225 -2.2668 -2.2668 -2.0958 -2.0958 -2.0030 -2.0030 -1.9710 -1.9710 -1.8852 -1.8852 -1.6807 -1.6807 -1.5413 -1.5413 -1.4757 -1.4757 -1.3918 -1.3918 -1.1982 -1.1982 -1.1122 -1.1122 -1.0638 -1.0638 -0.9920 -0.9920 -0.8524 -0.8524 -0.7803 -0.7803 -0.7469 -0.7469 -0.6459 -0.6459 0.0514 0.0514 0.2774 0.2774 0.7681 0.7681 0.7938 0.7938 0.9379 0.9379 1.1973 1.1973 3.3253 3.3253 3.5908 3.5908 4.0069 4.0069 4.4645 4.4645 4.9799 4.9799 5.4101 5.4101 k = 0.3043 0.8167-0.1443 ( 8110 PWs) bands (ev): -9.1134 -9.1134 -9.0331 -9.0331 -2.7250 -2.7250 -2.6906 -2.6906 -2.4298 -2.4298 -2.2536 -2.2536 -2.1030 -2.1030 -1.9982 -1.9982 -1.9668 -1.9668 -1.8760 -1.8760 -1.6868 -1.6868 -1.5410 -1.5410 -1.4635 -1.4635 -1.3808 -1.3808 -1.2003 -1.2003 -1.1115 -1.1115 -1.0638 -1.0638 -0.9883 -0.9883 -0.8636 -0.8636 -0.7817 -0.7817 -0.7422 -0.7422 -0.6315 -0.6315 0.0511 0.0511 0.3019 0.3019 0.7449 0.7449 0.7800 0.7800 0.9168 0.9168 1.2065 1.2065 3.2239 3.2239 3.5578 3.5578 4.0269 4.0269 4.5107 4.5107 4.9942 4.9942 5.4473 5.4473 k = 0.2826 0.8167-0.1443 ( 8104 PWs) bands (ev): -9.1177 -9.1177 -9.0299 -9.0299 -2.7321 -2.7321 -2.6925 -2.6925 -2.4367 -2.4367 -2.2399 -2.2399 -2.1099 -2.1099 -1.9925 -1.9925 -1.9625 -1.9625 -1.8675 -1.8675 -1.6928 -1.6928 -1.5420 -1.5420 -1.4500 -1.4500 -1.3695 -1.3695 -1.2021 -1.2021 -1.1131 -1.1131 -1.0620 -1.0620 -0.9847 -0.9847 -0.8747 -0.8747 -0.7827 -0.7827 -0.7373 -0.7373 -0.6164 -0.6164 0.0525 0.0525 0.3253 0.3253 0.7189 0.7189 0.7690 0.7690 0.8958 0.8958 1.2148 1.2148 3.1211 3.1211 3.5239 3.5239 4.0478 4.0478 4.5578 4.5578 5.0145 5.0145 5.4849 5.4849 k = 0.2609 0.8167-0.1443 ( 8100 PWs) bands (ev): -9.1218 -9.1218 -9.0269 -9.0269 -2.7395 -2.7395 -2.6944 -2.6944 -2.4431 -2.4431 -2.2259 -2.2259 -2.1165 -2.1165 -1.9861 -1.9861 -1.9581 -1.9581 -1.8595 -1.8595 -1.6988 -1.6988 -1.5438 -1.5438 -1.4361 -1.4361 -1.3578 -1.3578 -1.2038 -1.2038 -1.1164 -1.1164 -1.0592 -1.0592 -0.9811 -0.9811 -0.8856 -0.8856 -0.7834 -0.7834 -0.7323 -0.7323 -0.6007 -0.6007 0.0554 0.0554 0.3462 0.3462 0.6905 0.6905 0.7623 0.7623 0.8749 0.8749 1.2222 1.2222 3.0183 3.0183 3.4899 3.4899 4.0693 4.0693 4.6057 4.6057 5.0406 5.0406 5.5233 5.5233 k = 0.2391 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.1257 -9.1257 -9.0241 -9.0241 -2.7472 -2.7472 -2.6962 -2.6962 -2.4490 -2.4490 -2.2115 -2.2115 -2.1228 -2.1228 -1.9791 -1.9791 -1.9536 -1.9536 -1.8524 -1.8524 -1.7047 -1.7047 -1.5457 -1.5457 -1.4225 -1.4225 -1.3458 -1.3458 -1.2052 -1.2052 -1.1206 -1.1206 -1.0559 -1.0559 -0.9776 -0.9776 -0.8962 -0.8962 -0.7839 -0.7839 -0.7273 -0.7273 -0.5845 -0.5845 0.0601 0.0601 0.3635 0.3635 0.6600 0.6600 0.7612 0.7612 0.8546 0.8546 1.2288 1.2288 2.9163 2.9163 3.4564 3.4564 4.0907 4.0907 4.6540 4.6540 5.0722 5.0722 5.5626 5.5626 k = 0.2174 0.8167-0.1443 ( 8088 PWs) bands (ev): -9.1293 -9.1293 -9.0216 -9.0216 -2.7550 -2.7550 -2.6979 -2.6979 -2.4543 -2.4543 -2.1970 -2.1970 -2.1287 -2.1287 -1.9718 -1.9718 -1.9490 -1.9490 -1.8464 -1.8464 -1.7105 -1.7105 -1.5475 -1.5475 -1.4097 -1.4097 -1.3337 -1.3337 -1.2066 -1.2066 -1.1251 -1.1251 -1.0528 -1.0528 -0.9742 -0.9742 -0.9063 -0.9063 -0.7842 -0.7842 -0.7223 -0.7223 -0.5680 -0.5680 0.0664 0.0664 0.3758 0.3758 0.6279 0.6279 0.7667 0.7667 0.8351 0.8351 1.2346 1.2346 2.8163 2.8163 3.4239 3.4239 4.1117 4.1117 4.7023 4.7023 5.1092 5.1092 5.6031 5.6031 k = 0.1957 0.8167-0.1443 ( 8096 PWs) bands (ev): -9.1327 -9.1327 -9.0192 -9.0192 -2.7627 -2.7627 -2.6995 -2.6995 -2.4592 -2.4592 -2.1827 -2.1827 -2.1341 -2.1341 -1.9644 -1.9644 -1.9442 -1.9442 -1.8416 -1.8416 -1.7162 -1.7162 -1.5491 -1.5491 -1.3981 -1.3981 -1.3216 -1.3216 -1.2081 -1.2081 -1.1295 -1.1295 -1.0500 -1.0500 -0.9711 -0.9711 -0.9157 -0.9157 -0.7843 -0.7843 -0.7174 -0.7174 -0.5513 -0.5513 0.0744 0.0744 0.3825 0.3825 0.5945 0.5945 0.7785 0.7785 0.8175 0.8175 1.2397 1.2397 2.7193 2.7193 3.3929 3.3929 4.1318 4.1318 4.7499 4.7499 5.1513 5.1513 5.6447 5.6447 k = 0.1739 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.1358 -9.1358 -9.0172 -9.0172 -2.7701 -2.7701 -2.7010 -2.7010 -2.4635 -2.4635 -2.1687 -2.1687 -2.1389 -2.1389 -1.9571 -1.9571 -1.9391 -1.9391 -1.8383 -1.8383 -1.7216 -1.7216 -1.5504 -1.5504 -1.3876 -1.3876 -1.3097 -1.3097 -1.2096 -1.2096 -1.1336 -1.1336 -1.0477 -1.0477 -0.9683 -0.9683 -0.9243 -0.9243 -0.7842 -0.7842 -0.7127 -0.7127 -0.5347 -0.5347 0.0842 0.0842 0.3839 0.3839 0.5605 0.5605 0.7886 0.7886 0.8097 0.8097 1.2440 1.2440 2.6261 2.6261 3.3640 3.3640 4.1506 4.1506 4.7961 4.7961 5.1983 5.1983 5.6874 5.6874 k = 0.1522 0.8167-0.1443 ( 8096 PWs) bands (ev): -9.1386 -9.1386 -9.0153 -9.0153 -2.7771 -2.7771 -2.7023 -2.7023 -2.4673 -2.4673 -2.1560 -2.1560 -2.1425 -2.1425 -1.9501 -1.9501 -1.9335 -1.9335 -1.8367 -1.8367 -1.7267 -1.7267 -1.5513 -1.5513 -1.3785 -1.3785 -1.2983 -1.2983 -1.2114 -1.2114 -1.1372 -1.1372 -1.0460 -1.0460 -0.9660 -0.9660 -0.9317 -0.9317 -0.7841 -0.7841 -0.7083 -0.7083 -0.5185 -0.5185 0.0956 0.0956 0.3809 0.3809 0.5262 0.5262 0.7781 0.7781 0.8294 0.8294 1.2477 1.2477 2.5381 2.5381 3.3376 3.3376 4.1680 4.1680 4.8401 4.8401 5.2498 5.2498 5.7311 5.7311 k = 0.1304 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.1410 -9.1410 -9.0138 -9.0138 -2.7834 -2.7834 -2.7034 -2.7034 -2.4707 -2.4707 -2.1503 -2.1503 -2.1395 -2.1395 -1.9436 -1.9436 -1.9276 -1.9276 -1.8370 -1.8370 -1.7312 -1.7312 -1.5518 -1.5518 -1.3706 -1.3706 -1.2876 -1.2876 -1.2134 -1.2134 -1.1400 -1.1400 -1.0447 -1.0447 -0.9646 -0.9646 -0.9377 -0.9377 -0.7838 -0.7838 -0.7042 -0.7042 -0.5032 -0.5032 0.1087 0.1087 0.3747 0.3747 0.4922 0.4922 0.7644 0.7644 0.8577 0.8577 1.2509 1.2509 2.4563 2.4563 3.3140 3.3140 4.1835 4.1835 4.8809 4.8809 5.3051 5.3051 5.7753 5.7753 k = 0.1087 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.1431 -9.1431 -9.0124 -9.0124 -2.7890 -2.7890 -2.7044 -2.7044 -2.4735 -2.4735 -2.1524 -2.1524 -2.1293 -2.1293 -1.9376 -1.9376 -1.9211 -1.9211 -1.8393 -1.8393 -1.7351 -1.7351 -1.5520 -1.5520 -1.3641 -1.3641 -1.2778 -1.2778 -1.2156 -1.2156 -1.1422 -1.1422 -1.0439 -1.0439 -0.9646 -0.9646 -0.9417 -0.9417 -0.7835 -0.7835 -0.7006 -0.7006 -0.4891 -0.4891 0.1232 0.1232 0.3669 0.3669 0.4593 0.4593 0.7519 0.7519 0.8881 0.8881 1.2534 1.2534 2.3824 2.3824 3.2936 3.2936 4.1969 4.1969 4.9176 4.9176 5.3637 5.3637 5.8193 5.8193 k = 0.0870 0.8167-0.1443 ( 8100 PWs) bands (ev): -9.1448 -9.1448 -9.0113 -9.0113 -2.7938 -2.7938 -2.7052 -2.7052 -2.4757 -2.4757 -2.1549 -2.1549 -2.1196 -2.1196 -1.9323 -1.9323 -1.9142 -1.9142 -1.8434 -1.8434 -1.7382 -1.7382 -1.5519 -1.5519 -1.3589 -1.3589 -1.2691 -1.2691 -1.2181 -1.2181 -1.1438 -1.1438 -1.0434 -1.0434 -0.9659 -0.9659 -0.9437 -0.9437 -0.7833 -0.7833 -0.6974 -0.6974 -0.4767 -0.4767 0.1387 0.1387 0.3584 0.3584 0.4283 0.4283 0.7412 0.7412 0.9178 0.9178 1.2555 1.2555 2.3178 2.3178 3.2765 3.2765 4.2081 4.2081 4.9493 4.9493 5.4240 5.4240 5.8620 5.8620 k = 0.0652 0.8167-0.1443 ( 8098 PWs) bands (ev): -9.1462 -9.1462 -9.0105 -9.0105 -2.7976 -2.7976 -2.7058 -2.7058 -2.4775 -2.4775 -2.1570 -2.1570 -2.1116 -2.1116 -1.9280 -1.9280 -1.9069 -1.9069 -1.8490 -1.8490 -1.7405 -1.7405 -1.5517 -1.5517 -1.3549 -1.3549 -1.2615 -1.2615 -1.2207 -1.2207 -1.1448 -1.1448 -1.0431 -1.0431 -0.9679 -0.9679 -0.9443 -0.9443 -0.7830 -0.7830 -0.6949 -0.6949 -0.4665 -0.4665 0.1545 0.1545 0.3501 0.3501 0.4005 0.4005 0.7327 0.7327 0.9445 0.9445 1.2571 1.2571 2.2645 2.2645 3.2631 3.2631 4.2170 4.2170 4.9750 4.9750 5.4840 5.4840 5.9012 5.9012 k = 0.0435 0.8167-0.1443 ( 8102 PWs) bands (ev): -9.1472 -9.1472 -9.0099 -9.0099 -2.8003 -2.8003 -2.7063 -2.7063 -2.4788 -2.4788 -2.1586 -2.1586 -2.1056 -2.1056 -1.9248 -1.9248 -1.8995 -1.8995 -1.8556 -1.8556 -1.7422 -1.7422 -1.5514 -1.5514 -1.3521 -1.3521 -1.2554 -1.2554 -1.2233 -1.2233 -1.1453 -1.1453 -1.0430 -1.0430 -0.9699 -0.9699 -0.9442 -0.9442 -0.7828 -0.7828 -0.6931 -0.6931 -0.4588 -0.4588 0.1691 0.1691 0.3426 0.3426 0.3782 0.3782 0.7265 0.7265 0.9657 0.9657 1.2582 1.2582 2.2246 2.2246 3.2534 3.2534 4.2234 4.2234 4.9939 4.9939 5.5394 5.5394 5.9330 5.9330 k = 0.0217 0.8167-0.1443 ( 8090 PWs) bands (ev): -9.1478 -9.1478 -9.0095 -9.0095 -2.8020 -2.8020 -2.7065 -2.7065 -2.4795 -2.4795 -2.1595 -2.1595 -2.1019 -2.1019 -1.9227 -1.9227 -1.8929 -1.8929 -1.8618 -1.8618 -1.7431 -1.7431 -1.5512 -1.5512 -1.3504 -1.3504 -1.2513 -1.2513 -1.2254 -1.2254 -1.1456 -1.1456 -1.0430 -1.0430 -0.9712 -0.9712 -0.9439 -0.9439 -0.7827 -0.7827 -0.6919 -0.6919 -0.4541 -0.4541 0.1800 0.1800 0.3363 0.3363 0.3641 0.3641 0.7227 0.7227 0.9794 0.9794 1.2588 1.2588 2.1997 2.1997 3.2475 3.2475 4.2272 4.2272 5.0055 5.0055 5.5819 5.5819 5.9506 5.9506 k = 0.0000 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.1480 -9.1480 -9.0094 -9.0094 -2.8025 -2.8025 -2.7066 -2.7066 -2.4798 -2.4798 -2.1598 -2.1598 -2.1007 -2.1007 -1.9221 -1.9221 -1.8898 -1.8898 -1.8647 -1.8647 -1.7434 -1.7434 -1.5511 -1.5511 -1.3499 -1.3499 -1.2497 -1.2497 -1.2262 -1.2262 -1.1457 -1.1457 -1.0430 -1.0430 -0.9717 -0.9717 -0.9438 -0.9438 -0.7826 -0.7826 -0.6915 -0.6915 -0.4525 -0.4525 0.1842 0.1842 0.3335 0.3335 0.3594 0.3594 0.7215 0.7215 0.9841 0.9841 1.2590 1.2590 2.1912 2.1912 3.2456 3.2456 4.2285 4.2285 5.0094 5.0094 5.5987 5.5987 5.9521 5.9521 k = 0.0000 0.8167-0.1443 ( 8092 PWs) bands (ev): -9.1480 -9.1480 -9.0094 -9.0094 -2.8025 -2.8025 -2.7066 -2.7066 -2.4798 -2.4798 -2.1598 -2.1598 -2.1007 -2.1007 -1.9221 -1.9221 -1.8898 -1.8898 -1.8647 -1.8647 -1.7434 -1.7434 -1.5511 -1.5511 -1.3499 -1.3499 -1.2497 -1.2497 -1.2262 -1.2262 -1.1457 -1.1457 -1.0430 -1.0430 -0.9717 -0.9717 -0.9438 -0.9438 -0.7826 -0.7826 -0.6915 -0.6915 -0.4525 -0.4525 0.1842 0.1842 0.3335 0.3335 0.3594 0.3594 0.7215 0.7215 0.9841 0.9841 1.2590 1.2590 2.1912 2.1912 3.2456 3.2456 4.2285 4.2285 5.0094 5.0094 5.5987 5.5987 5.9521 5.9521 k = 0.0000 0.8203-0.1237 ( 8088 PWs) bands (ev): -9.1480 -9.1480 -9.0093 -9.0093 -2.8025 -2.8025 -2.7066 -2.7066 -2.4798 -2.4798 -2.1598 -2.1598 -2.1007 -2.1007 -1.9222 -1.9222 -1.8898 -1.8898 -1.8645 -1.8645 -1.7434 -1.7434 -1.5511 -1.5511 -1.3497 -1.3497 -1.2497 -1.2497 -1.2261 -1.2261 -1.1457 -1.1457 -1.0429 -1.0429 -0.9717 -0.9717 -0.9439 -0.9439 -0.7826 -0.7826 -0.6915 -0.6915 -0.4525 -0.4525 0.1838 0.1838 0.3340 0.3340 0.3598 0.3598 0.7206 0.7206 0.9839 0.9839 1.2595 1.2595 2.1904 2.1904 3.2426 3.2426 4.2301 4.2301 5.0106 5.0106 5.6034 5.6034 5.9542 5.9542 k = 0.0000 0.8240-0.1031 ( 8095 PWs) bands (ev): -9.1481 -9.1481 -9.0093 -9.0093 -2.8026 -2.8026 -2.7066 -2.7066 -2.4799 -2.4799 -2.1598 -2.1598 -2.1008 -2.1008 -1.9227 -1.9227 -1.8899 -1.8899 -1.8638 -1.8638 -1.7433 -1.7433 -1.5513 -1.5513 -1.3492 -1.3492 -1.2495 -1.2495 -1.2260 -1.2260 -1.1457 -1.1457 -1.0427 -1.0427 -0.9716 -0.9716 -0.9439 -0.9439 -0.7827 -0.7827 -0.6913 -0.6913 -0.4527 -0.4527 0.1826 0.1826 0.3356 0.3356 0.3608 0.3608 0.7180 0.7180 0.9832 0.9832 1.2607 1.2607 2.1880 2.1880 3.2338 3.2338 4.2348 4.2348 5.0143 5.0143 5.6174 5.6174 5.9596 5.9596 k = 0.0000 0.8276-0.0824 ( 8092 PWs) bands (ev): -9.1483 -9.1483 -9.0092 -9.0092 -2.8026 -2.8026 -2.7067 -2.7067 -2.4800 -2.4800 -2.1597 -2.1597 -2.1009 -2.1009 -1.9233 -1.9233 -1.8899 -1.8899 -1.8627 -1.8627 -1.7432 -1.7432 -1.5516 -1.5516 -1.3482 -1.3482 -1.2493 -1.2493 -1.2259 -1.2259 -1.1458 -1.1458 -1.0424 -1.0424 -0.9716 -0.9716 -0.9441 -0.9441 -0.7827 -0.7827 -0.6910 -0.6910 -0.4530 -0.4530 0.1806 0.1806 0.3380 0.3380 0.3624 0.3624 0.7137 0.7137 0.9820 0.9820 1.2628 1.2628 2.1840 2.1840 3.2195 3.2195 4.2425 4.2425 5.0206 5.0206 5.6402 5.6402 5.9657 5.9657 k = 0.0000 0.8312-0.0618 ( 8085 PWs) bands (ev): -9.1485 -9.1485 -9.0090 -9.0090 -2.8026 -2.8026 -2.7067 -2.7067 -2.4801 -2.4801 -2.1596 -2.1596 -2.1010 -2.1010 -1.9241 -1.9241 -1.8900 -1.8900 -1.8614 -1.8614 -1.7431 -1.7431 -1.5519 -1.5519 -1.3470 -1.3470 -1.2491 -1.2491 -1.2256 -1.2256 -1.1458 -1.1458 -1.0419 -1.0419 -0.9715 -0.9715 -0.9442 -0.9442 -0.7827 -0.7827 -0.6906 -0.6906 -0.4535 -0.4535 0.1780 0.1780 0.3411 0.3411 0.3648 0.3648 0.7080 0.7080 0.9803 0.9803 1.2655 1.2655 2.1785 2.1785 3.2001 3.2001 4.2530 4.2530 5.0298 5.0298 5.6710 5.6710 5.9692 5.9692 k = 0.0000 0.8349-0.0412 ( 8081 PWs) bands (ev): -9.1488 -9.1488 -9.0088 -9.0088 -2.8027 -2.8027 -2.7067 -2.7067 -2.4803 -2.4803 -2.1595 -2.1595 -2.1012 -2.1012 -1.9250 -1.9250 -1.8901 -1.8901 -1.8598 -1.8598 -1.7429 -1.7429 -1.5523 -1.5523 -1.3455 -1.3455 -1.2487 -1.2487 -1.2253 -1.2253 -1.1458 -1.1458 -1.0414 -1.0414 -0.9715 -0.9715 -0.9444 -0.9444 -0.7827 -0.7827 -0.6901 -0.6901 -0.4540 -0.4540 0.1749 0.1749 0.3447 0.3447 0.3680 0.3680 0.7010 0.7010 0.9782 0.9782 1.2689 1.2689 2.1716 2.1716 3.1761 3.1761 4.2660 4.2660 5.0419 5.0419 5.7088 5.7088 5.9695 5.9695 k = 0.0000 0.8385-0.0206 ( 8079 PWs) bands (ev): -9.1491 -9.1491 -9.0086 -9.0086 -2.8027 -2.8027 -2.7068 -2.7068 -2.4805 -2.4805 -2.1594 -2.1594 -2.1013 -2.1013 -1.9259 -1.9259 -1.8900 -1.8900 -1.8582 -1.8582 -1.7428 -1.7428 -1.5528 -1.5528 -1.3438 -1.3438 -1.2483 -1.2483 -1.2249 -1.2249 -1.1459 -1.1459 -1.0407 -1.0407 -0.9714 -0.9714 -0.9446 -0.9446 -0.7827 -0.7827 -0.6895 -0.6895 -0.4546 -0.4546 0.1714 0.1714 0.3486 0.3486 0.3719 0.3719 0.6929 0.6929 0.9757 0.9757 1.2728 1.2728 2.1636 2.1636 3.1482 3.1482 4.2813 4.2813 5.0570 5.0570 5.7526 5.7526 5.9677 5.9677 k = 0.0000 0.8422 0.0000 ( 8077 PWs) bands (ev): -9.1495 -9.1495 -9.0083 -9.0083 -2.8028 -2.8028 -2.7069 -2.7069 -2.4807 -2.4807 -2.1593 -2.1593 -2.1015 -2.1015 -1.9267 -1.9267 -1.8900 -1.8900 -1.8566 -1.8566 -1.7426 -1.7426 -1.5533 -1.5533 -1.3420 -1.3420 -1.2479 -1.2479 -1.2245 -1.2245 -1.1460 -1.1460 -1.0400 -1.0400 -0.9714 -0.9714 -0.9447 -0.9447 -0.7827 -0.7827 -0.6887 -0.6887 -0.4554 -0.4554 0.1676 0.1676 0.3526 0.3526 0.3766 0.3766 0.6840 0.6840 0.9728 0.9728 1.2771 1.2771 2.1546 2.1546 3.1170 3.1170 4.2984 4.2984 5.0753 5.0753 5.8011 5.8011 5.9649 5.9649 k = 0.0000 0.8458 0.0207 ( 8071 PWs) bands (ev): -9.1499 -9.1499 -9.0081 -9.0081 -2.8029 -2.8029 -2.7070 -2.7070 -2.4809 -2.4809 -2.1591 -2.1591 -2.1018 -2.1018 -1.9274 -1.9274 -1.8899 -1.8899 -1.8550 -1.8550 -1.7425 -1.7425 -1.5538 -1.5538 -1.3401 -1.3401 -1.2475 -1.2475 -1.2241 -1.2241 -1.1461 -1.1461 -1.0391 -1.0391 -0.9714 -0.9714 -0.9448 -0.9448 -0.7827 -0.7827 -0.6878 -0.6878 -0.4561 -0.4561 0.1636 0.1636 0.3566 0.3566 0.3819 0.3819 0.6747 0.6747 0.9696 0.9696 1.2817 1.2817 2.1447 2.1447 3.0832 3.0832 4.3171 4.3171 5.0965 5.0965 5.8532 5.8532 5.9615 5.9615 k = 0.0000 0.8495 0.0413 ( 8076 PWs) bands (ev): -9.1504 -9.1504 -9.0078 -9.0078 -2.8030 -2.8030 -2.7070 -2.7070 -2.4811 -2.4811 -2.1590 -2.1590 -2.1020 -2.1020 -1.9279 -1.9279 -1.8898 -1.8898 -1.8536 -1.8536 -1.7424 -1.7424 -1.5543 -1.5543 -1.3382 -1.3382 -1.2470 -1.2470 -1.2237 -1.2237 -1.1463 -1.1463 -1.0383 -1.0383 -0.9714 -0.9714 -0.9448 -0.9448 -0.7827 -0.7827 -0.6868 -0.6868 -0.4570 -0.4570 0.1596 0.1596 0.3606 0.3606 0.3878 0.3878 0.6651 0.6651 0.9660 0.9660 1.2865 1.2865 2.1342 2.1342 3.0475 3.0475 4.3369 4.3369 5.1205 5.1205 5.9066 5.9066 5.9592 5.9592 k = 0.0000 0.8531 0.0619 ( 8072 PWs) bands (ev): -9.1508 -9.1508 -9.0075 -9.0075 -2.8032 -2.8032 -2.7071 -2.7071 -2.4813 -2.4813 -2.1588 -2.1588 -2.1023 -2.1023 -1.9283 -1.9283 -1.8896 -1.8896 -1.8524 -1.8524 -1.7423 -1.7423 -1.5547 -1.5547 -1.3363 -1.3363 -1.2465 -1.2465 -1.2232 -1.2232 -1.1464 -1.1464 -1.0374 -1.0374 -0.9714 -0.9714 -0.9448 -0.9448 -0.7826 -0.7826 -0.6857 -0.6857 -0.4578 -0.4578 0.1555 0.1555 0.3644 0.3644 0.3941 0.3941 0.6557 0.6557 0.9622 0.9622 1.2914 1.2914 2.1233 2.1233 3.0106 3.0106 4.3574 4.3574 5.1469 5.1469 5.9422 5.9422 5.9765 5.9765 k = 0.0000 0.8568 0.0825 ( 8071 PWs) bands (ev): -9.1514 -9.1514 -9.0072 -9.0072 -2.8033 -2.8033 -2.7072 -2.7072 -2.4814 -2.4814 -2.1586 -2.1586 -2.1025 -2.1025 -1.9283 -1.9283 -1.8894 -1.8894 -1.8513 -1.8513 -1.7422 -1.7422 -1.5551 -1.5551 -1.3345 -1.3345 -1.2460 -1.2460 -1.2229 -1.2229 -1.1465 -1.1465 -1.0365 -1.0365 -0.9715 -0.9715 -0.9446 -0.9446 -0.7826 -0.7826 -0.6846 -0.6846 -0.4587 -0.4587 0.1514 0.1514 0.3682 0.3682 0.4005 0.4005 0.6466 0.6466 0.9582 0.9582 1.2962 1.2962 2.1123 2.1123 2.9731 2.9731 4.3783 4.3783 5.1754 5.1754 5.9423 5.9423 6.0303 6.0303 k = 0.0000 0.8604 0.1032 ( 8075 PWs) bands (ev): -9.1519 -9.1519 -9.0069 -9.0069 -2.8035 -2.8035 -2.7073 -2.7073 -2.4816 -2.4816 -2.1585 -2.1585 -2.1028 -2.1028 -1.9282 -1.9282 -1.8892 -1.8892 -1.8504 -1.8504 -1.7422 -1.7422 -1.5555 -1.5555 -1.3329 -1.3329 -1.2456 -1.2456 -1.2225 -1.2225 -1.1467 -1.1467 -1.0357 -1.0357 -0.9716 -0.9716 -0.9444 -0.9444 -0.7825 -0.7825 -0.6833 -0.6833 -0.4596 -0.4596 0.1473 0.1473 0.3720 0.3720 0.4069 0.4069 0.6381 0.6381 0.9541 0.9541 1.3009 1.3009 2.1013 2.1013 2.9355 2.9355 4.3993 4.3993 5.2055 5.2055 5.9378 5.9378 6.0891 6.0891 k = 0.0000 0.8640 0.1238 ( 8082 PWs) bands (ev): -9.1524 -9.1524 -9.0066 -9.0066 -2.8037 -2.8037 -2.7075 -2.7075 -2.4817 -2.4817 -2.1583 -2.1583 -2.1031 -2.1031 -1.9279 -1.9279 -1.8890 -1.8890 -1.8498 -1.8498 -1.7423 -1.7423 -1.5558 -1.5558 -1.3314 -1.3314 -1.2452 -1.2452 -1.2222 -1.2222 -1.1468 -1.1468 -1.0348 -1.0348 -0.9717 -0.9717 -0.9441 -0.9441 -0.7824 -0.7824 -0.6821 -0.6821 -0.4605 -0.4605 0.1433 0.1433 0.3756 0.3756 0.4132 0.4132 0.6306 0.6306 0.9499 0.9499 1.3053 1.3053 2.0906 2.0906 2.8983 2.8983 4.4199 4.4199 5.2366 5.2366 5.9326 5.9326 6.1483 6.1483 k = 0.0000 0.8677 0.1444 ( 8078 PWs) bands (ev): -9.1530 -9.1530 -9.0064 -9.0064 -2.8039 -2.8039 -2.7076 -2.7076 -2.4818 -2.4818 -2.1582 -2.1582 -2.1033 -2.1033 -1.9273 -1.9273 -1.8887 -1.8887 -1.8493 -1.8493 -1.7423 -1.7423 -1.5561 -1.5561 -1.3300 -1.3300 -1.2447 -1.2447 -1.2220 -1.2220 -1.1470 -1.1470 -1.0341 -1.0341 -0.9719 -0.9719 -0.9437 -0.9437 -0.7823 -0.7823 -0.6808 -0.6808 -0.4613 -0.4613 0.1394 0.1394 0.3790 0.3790 0.4192 0.4192 0.6243 0.6243 0.9457 0.9457 1.3094 1.3094 2.0805 2.0805 2.8622 2.8622 4.4398 4.4398 5.2680 5.2680 5.9272 5.9272 6.2068 6.2068 k = 0.5000 0.7656 0.4331 ( 8086 PWs) bands (ev): -9.0718 -9.0718 -9.0718 -9.0718 -2.6841 -2.6841 -2.6838 -2.6838 -2.3566 -2.3566 -2.3561 -2.3561 -2.0379 -2.0379 -2.0357 -2.0357 -1.9456 -1.9456 -1.9392 -1.9392 -1.6166 -1.6166 -1.6068 -1.6068 -1.4699 -1.4699 -1.4697 -1.4697 -1.1746 -1.1746 -1.1733 -1.1733 -1.0258 -1.0258 -1.0238 -1.0238 -0.7816 -0.7816 -0.7770 -0.7770 -0.7332 -0.7332 -0.7332 -0.7332 0.1264 0.1264 0.1318 0.1318 0.7574 0.7574 0.7591 0.7591 1.0497 1.0497 1.0507 1.0507 3.6944 3.6944 3.6968 3.6968 4.3374 4.3374 4.3474 4.3474 5.3877 5.3877 5.3916 5.3916 k = 0.5000 0.7444 0.4331 ( 8102 PWs) bands (ev): -9.0728 -9.0728 -9.0727 -9.0727 -2.6842 -2.6842 -2.6839 -2.6839 -2.3567 -2.3567 -2.3561 -2.3561 -2.0382 -2.0382 -2.0346 -2.0346 -1.9466 -1.9466 -1.9392 -1.9392 -1.6169 -1.6169 -1.6057 -1.6057 -1.4696 -1.4696 -1.4689 -1.4689 -1.1741 -1.1741 -1.1728 -1.1728 -1.0266 -1.0266 -1.0236 -1.0236 -0.7825 -0.7825 -0.7770 -0.7770 -0.7348 -0.7348 -0.7345 -0.7345 0.1115 0.1115 0.1177 0.1177 0.7639 0.7639 0.7656 0.7656 1.0547 1.0547 1.0566 1.0566 3.6875 3.6875 3.6914 3.6914 4.3618 4.3618 4.3713 4.3713 5.3483 5.3483 5.3519 5.3519 k = 0.5000 0.7231 0.4331 ( 8112 PWs) bands (ev): -9.0741 -9.0741 -9.0741 -9.0741 -2.6843 -2.6843 -2.6839 -2.6839 -2.3569 -2.3569 -2.3561 -2.3561 -2.0383 -2.0383 -2.0334 -2.0334 -1.9475 -1.9475 -1.9391 -1.9391 -1.6171 -1.6171 -1.6044 -1.6044 -1.4691 -1.4691 -1.4679 -1.4679 -1.1736 -1.1736 -1.1723 -1.1723 -1.0274 -1.0274 -1.0233 -1.0233 -0.7836 -0.7836 -0.7772 -0.7772 -0.7367 -0.7367 -0.7361 -0.7361 0.0928 0.0928 0.0998 0.0998 0.7710 0.7710 0.7724 0.7724 1.0617 1.0617 1.0644 1.0644 3.6754 3.6754 3.6805 3.6805 4.3953 4.3953 4.4050 4.4050 5.3079 5.3079 5.3119 5.3119 k = 0.5000 0.7018 0.4331 ( 8110 PWs) bands (ev): -9.0758 -9.0758 -9.0757 -9.0757 -2.6844 -2.6844 -2.6839 -2.6839 -2.3572 -2.3572 -2.3561 -2.3561 -2.0383 -2.0383 -2.0322 -2.0322 -1.9483 -1.9483 -1.9390 -1.9390 -1.6171 -1.6171 -1.6031 -1.6031 -1.4685 -1.4685 -1.4667 -1.4667 -1.1730 -1.1730 -1.1718 -1.1718 -1.0282 -1.0282 -1.0231 -1.0231 -0.7849 -0.7849 -0.7774 -0.7774 -0.7389 -0.7389 -0.7380 -0.7380 0.0706 0.0706 0.0783 0.0783 0.7785 0.7785 0.7797 0.7797 1.0707 1.0707 1.0741 1.0741 3.6597 3.6597 3.6657 3.6657 4.4343 4.4343 4.4450 4.4450 5.2695 5.2695 5.2745 5.2745 k = 0.5000 0.6806 0.4331 ( 8114 PWs) bands (ev): -9.0778 -9.0778 -9.0777 -9.0777 -2.6845 -2.6845 -2.6839 -2.6839 -2.3574 -2.3574 -2.3562 -2.3562 -2.0382 -2.0382 -2.0308 -2.0308 -1.9491 -1.9491 -1.9388 -1.9388 -1.6169 -1.6169 -1.6017 -1.6017 -1.4677 -1.4677 -1.4653 -1.4653 -1.1724 -1.1724 -1.1711 -1.1711 -1.0291 -1.0291 -1.0229 -1.0229 -0.7864 -0.7864 -0.7778 -0.7778 -0.7413 -0.7413 -0.7403 -0.7403 0.0452 0.0452 0.0537 0.0537 0.7865 0.7865 0.7873 0.7873 1.0815 1.0815 1.0855 1.0855 3.6416 3.6416 3.6483 3.6483 4.4747 4.4747 4.4870 4.4870 5.2366 5.2366 5.2433 5.2433 k = 0.5000 0.6593 0.4331 ( 8106 PWs) bands (ev): -9.0801 -9.0801 -9.0799 -9.0799 -2.6846 -2.6846 -2.6839 -2.6839 -2.3576 -2.3576 -2.3563 -2.3563 -2.0379 -2.0379 -2.0294 -2.0294 -1.9497 -1.9497 -1.9387 -1.9387 -1.6166 -1.6166 -1.6003 -1.6003 -1.4667 -1.4667 -1.4637 -1.4637 -1.1717 -1.1717 -1.1704 -1.1704 -1.0300 -1.0300 -1.0228 -1.0228 -0.7881 -0.7881 -0.7784 -0.7784 -0.7439 -0.7439 -0.7428 -0.7428 0.0170 0.0170 0.0263 0.0263 0.7947 0.7947 0.7952 0.7952 1.0941 1.0941 1.0986 1.0986 3.6223 3.6223 3.6295 3.6295 4.5114 4.5114 4.5259 4.5259 5.2138 5.2138 5.2229 5.2229 k = 0.5000 0.6380 0.4331 ( 8108 PWs) bands (ev): -9.0826 -9.0826 -9.0825 -9.0825 -2.6846 -2.6846 -2.6839 -2.6839 -2.3579 -2.3579 -2.3564 -2.3564 -2.0375 -2.0375 -2.0280 -2.0280 -1.9503 -1.9503 -1.9385 -1.9385 -1.6162 -1.6162 -1.5988 -1.5988 -1.4655 -1.4655 -1.4620 -1.4620 -1.1710 -1.1710 -1.1697 -1.1697 -1.0310 -1.0310 -1.0228 -1.0228 -0.7902 -0.7902 -0.7791 -0.7791 -0.7466 -0.7466 -0.7454 -0.7454 -0.0135 -0.0135 -0.0033 -0.0033 0.8032 0.8032 0.8034 0.8034 1.1084 1.1084 1.1134 1.1134 3.6026 3.6026 3.6100 3.6100 4.5388 4.5388 4.5559 4.5559 5.2065 5.2065 5.2183 5.2183 k = 0.5000 0.6168 0.4331 ( 8112 PWs) bands (ev): -9.0855 -9.0855 -9.0853 -9.0853 -2.6847 -2.6847 -2.6838 -2.6838 -2.3582 -2.3582 -2.3566 -2.3566 -2.0371 -2.0371 -2.0265 -2.0265 -1.9508 -1.9508 -1.9383 -1.9383 -1.6157 -1.6157 -1.5974 -1.5974 -1.4641 -1.4641 -1.4602 -1.4602 -1.1704 -1.1704 -1.1689 -1.1689 -1.0320 -1.0320 -1.0227 -1.0227 -0.7926 -0.7926 -0.7802 -0.7802 -0.7492 -0.7492 -0.7482 -0.7482 -0.0460 -0.0460 -0.0349 -0.0349 0.8115 0.8115 0.8117 0.8117 1.1244 1.1244 1.1297 1.1297 3.5829 3.5829 3.5906 3.5906 4.5523 4.5523 4.5716 4.5716 5.2199 5.2199 5.2339 5.2339 k = 0.5000 0.5955 0.4331 ( 8114 PWs) bands (ev): -9.0885 -9.0885 -9.0884 -9.0884 -2.6847 -2.6847 -2.6838 -2.6838 -2.3586 -2.3586 -2.3568 -2.3568 -2.0364 -2.0364 -2.0250 -2.0250 -1.9512 -1.9512 -1.9381 -1.9381 -1.6151 -1.6151 -1.5959 -1.5959 -1.4625 -1.4625 -1.4582 -1.4582 -1.1697 -1.1697 -1.1681 -1.1681 -1.0331 -1.0331 -1.0227 -1.0227 -0.7954 -0.7954 -0.7816 -0.7816 -0.7519 -0.7519 -0.7510 -0.7510 -0.0801 -0.0801 -0.0679 -0.0679 0.8196 0.8196 0.8201 0.8201 1.1421 1.1421 1.1476 1.1476 3.5636 3.5636 3.5714 3.5714 4.5495 4.5495 4.5701 4.5701 5.2563 5.2563 5.2717 5.2717 k = 0.5000 0.5742 0.4331 ( 8122 PWs) bands (ev): -9.0918 -9.0918 -9.0917 -9.0917 -2.6848 -2.6848 -2.6838 -2.6838 -2.3589 -2.3589 -2.3571 -2.3571 -2.0358 -2.0358 -2.0235 -2.0235 -1.9517 -1.9517 -1.9380 -1.9380 -1.6144 -1.6144 -1.5945 -1.5945 -1.4608 -1.4608 -1.4561 -1.4561 -1.1690 -1.1690 -1.1672 -1.1672 -1.0342 -1.0342 -1.0228 -1.0228 -0.7986 -0.7986 -0.7834 -0.7834 -0.7543 -0.7543 -0.7537 -0.7537 -0.1153 -0.1153 -0.1021 -0.1021 0.8274 0.8274 0.8282 0.8282 1.1615 1.1615 1.1672 1.1672 3.5448 3.5448 3.5527 3.5527 4.5318 4.5318 4.5527 4.5527 5.3144 5.3144 5.3301 5.3301 k = 0.5000 0.5530 0.4331 ( 8112 PWs) bands (ev): -9.0953 -9.0953 -9.0951 -9.0951 -2.6848 -2.6848 -2.6838 -2.6838 -2.3593 -2.3593 -2.3574 -2.3574 -2.0350 -2.0350 -2.0220 -2.0220 -1.9520 -1.9520 -1.9378 -1.9378 -1.6137 -1.6137 -1.5932 -1.5932 -1.4589 -1.4589 -1.4539 -1.4539 -1.1683 -1.1683 -1.1663 -1.1663 -1.0353 -1.0353 -1.0229 -1.0229 -0.8023 -0.8023 -0.7856 -0.7856 -0.7566 -0.7566 -0.7561 -0.7561 -0.1513 -0.1513 -0.1370 -0.1370 0.8347 0.8347 0.8358 0.8358 1.1827 1.1827 1.1886 1.1886 3.5269 3.5269 3.5347 3.5347 4.5023 4.5023 4.5229 4.5229 5.3902 5.3902 5.4056 5.4056 k = 0.5000 0.5317 0.4331 ( 8114 PWs) bands (ev): -9.0990 -9.0990 -9.0988 -9.0988 -2.6849 -2.6849 -2.6837 -2.6837 -2.3596 -2.3596 -2.3577 -2.3577 -2.0341 -2.0341 -2.0205 -2.0205 -1.9524 -1.9524 -1.9377 -1.9377 -1.6130 -1.6130 -1.5920 -1.5920 -1.4568 -1.4568 -1.4515 -1.4515 -1.1676 -1.1676 -1.1654 -1.1654 -1.0365 -1.0365 -1.0231 -1.0231 -0.8063 -0.8063 -0.7884 -0.7884 -0.7587 -0.7587 -0.7582 -0.7582 -0.1878 -0.1878 -0.1723 -0.1723 0.8415 0.8415 0.8428 0.8428 1.2058 1.2058 1.2117 1.2117 3.5097 3.5097 3.5175 3.5175 4.4646 4.4646 4.4844 4.4844 5.4798 5.4798 5.4944 5.4944 k = 0.5000 0.5104 0.4331 ( 8110 PWs) bands (ev): -9.1028 -9.1028 -9.1026 -9.1026 -2.6849 -2.6849 -2.6837 -2.6837 -2.3600 -2.3600 -2.3580 -2.3580 -2.0331 -2.0331 -2.0191 -2.0191 -1.9527 -1.9527 -1.9376 -1.9376 -1.6122 -1.6122 -1.5908 -1.5908 -1.4546 -1.4546 -1.4491 -1.4491 -1.1669 -1.1669 -1.1645 -1.1645 -1.0377 -1.0377 -1.0233 -1.0233 -0.8107 -0.8107 -0.7917 -0.7917 -0.7605 -0.7605 -0.7600 -0.7600 -0.2245 -0.2245 -0.2078 -0.2078 0.8476 0.8476 0.8492 0.8492 1.2307 1.2307 1.2366 1.2366 3.4933 3.4933 3.5010 3.5010 4.4215 4.4215 4.4405 4.4405 5.5793 5.5793 5.5931 5.5931 k = 0.5000 0.4892 0.4331 ( 8104 PWs) bands (ev): -9.1068 -9.1068 -9.1065 -9.1065 -2.6850 -2.6850 -2.6837 -2.6837 -2.3604 -2.3604 -2.3584 -2.3584 -2.0321 -2.0321 -2.0177 -2.0177 -1.9530 -1.9530 -1.9376 -1.9376 -1.6115 -1.6115 -1.5898 -1.5898 -1.4522 -1.4522 -1.4466 -1.4466 -1.1662 -1.1662 -1.1636 -1.1636 -1.0389 -1.0389 -1.0236 -1.0236 -0.8154 -0.8154 -0.7954 -0.7954 -0.7622 -0.7622 -0.7615 -0.7615 -0.2610 -0.2610 -0.2430 -0.2430 0.8530 0.8530 0.8547 0.8547 1.2574 1.2574 1.2632 1.2632 3.4777 3.4777 3.4853 3.4853 4.3752 4.3752 4.3933 4.3933 5.6862 5.6862 5.6989 5.6989 k = 0.5000 0.4679 0.4331 ( 8110 PWs) bands (ev): -9.1108 -9.1108 -9.1106 -9.1106 -2.6850 -2.6850 -2.6837 -2.6837 -2.3608 -2.3608 -2.3588 -2.3588 -2.0311 -2.0311 -2.0163 -2.0163 -1.9532 -1.9532 -1.9376 -1.9376 -1.6108 -1.6108 -1.5890 -1.5890 -1.4498 -1.4498 -1.4441 -1.4441 -1.1655 -1.1655 -1.1627 -1.1627 -1.0402 -1.0402 -1.0240 -1.0240 -0.8203 -0.8203 -0.7995 -0.7995 -0.7637 -0.7637 -0.7627 -0.7627 -0.2971 -0.2971 -0.2779 -0.2779 0.8575 0.8575 0.8594 0.8594 1.2859 1.2859 1.2916 1.2916 3.4629 3.4629 3.4704 3.4704 4.3270 4.3270 4.3442 4.3442 5.7977 5.7977 5.8094 5.8094 k = 0.5000 0.4466 0.4331 ( 8110 PWs) bands (ev): -9.1149 -9.1149 -9.1147 -9.1147 -2.6850 -2.6850 -2.6837 -2.6837 -2.3612 -2.3612 -2.3592 -2.3592 -2.0300 -2.0300 -2.0151 -2.0151 -1.9535 -1.9535 -1.9377 -1.9377 -1.6102 -1.6102 -1.5883 -1.5883 -1.4473 -1.4473 -1.4415 -1.4415 -1.1649 -1.1649 -1.1619 -1.1619 -1.0415 -1.0415 -1.0244 -1.0244 -0.8254 -0.8254 -0.8039 -0.8039 -0.7650 -0.7650 -0.7637 -0.7637 -0.3326 -0.3326 -0.3120 -0.3120 0.8612 0.8612 0.8632 0.8632 1.3160 1.3160 1.3215 1.3215 3.4489 3.4489 3.4562 3.4562 4.2780 4.2780 4.2944 4.2944 5.9115 5.9115 5.9220 5.9220 k = 0.5000 0.4254 0.4331 ( 8112 PWs) bands (ev): -9.1191 -9.1191 -9.1188 -9.1188 -2.6851 -2.6851 -2.6837 -2.6837 -2.3617 -2.3617 -2.3596 -2.3596 -2.0289 -2.0289 -2.0139 -2.0139 -1.9538 -1.9538 -1.9379 -1.9379 -1.6097 -1.6097 -1.5878 -1.5878 -1.4447 -1.4447 -1.4389 -1.4389 -1.1643 -1.1643 -1.1611 -1.1611 -1.0427 -1.0427 -1.0249 -1.0249 -0.8305 -0.8305 -0.8084 -0.8084 -0.7662 -0.7662 -0.7644 -0.7644 -0.3673 -0.3673 -0.3454 -0.3454 0.8641 0.8641 0.8663 0.8663 1.3476 1.3476 1.3529 1.3529 3.4356 3.4356 3.4428 3.4428 4.2290 4.2290 4.2445 4.2445 6.0242 6.0242 6.0333 6.0333 k = 0.5000 0.4041 0.4331 ( 8112 PWs) bands (ev): -9.1232 -9.1232 -9.1230 -9.1230 -2.6851 -2.6851 -2.6837 -2.6837 -2.3621 -2.3621 -2.3601 -2.3601 -2.0277 -2.0277 -2.0129 -2.0129 -1.9540 -1.9540 -1.9382 -1.9382 -1.6092 -1.6092 -1.5875 -1.5875 -1.4420 -1.4420 -1.4363 -1.4363 -1.1637 -1.1637 -1.1603 -1.1603 -1.0440 -1.0440 -1.0255 -1.0255 -0.8356 -0.8356 -0.8130 -0.8130 -0.7673 -0.7673 -0.7650 -0.7650 -0.4010 -0.4010 -0.3777 -0.3777 0.8662 0.8662 0.8685 0.8685 1.3806 1.3806 1.3856 1.3856 3.4231 3.4231 3.4301 3.4301 4.1803 4.1803 4.1951 4.1951 6.1308 6.1308 6.1383 6.1383 k = 0.5000 0.3828 0.4331 ( 8112 PWs) bands (ev): -9.1274 -9.1274 -9.1271 -9.1271 -2.6851 -2.6851 -2.6837 -2.6837 -2.3625 -2.3625 -2.3605 -2.3605 -2.0266 -2.0266 -2.0119 -2.0119 -1.9543 -1.9543 -1.9385 -1.9385 -1.6088 -1.6088 -1.5874 -1.5874 -1.4393 -1.4393 -1.4337 -1.4337 -1.1631 -1.1631 -1.1596 -1.1596 -1.0452 -1.0452 -1.0261 -1.0261 -0.8406 -0.8406 -0.8176 -0.8176 -0.7683 -0.7683 -0.7656 -0.7656 -0.4335 -0.4335 -0.4089 -0.4089 0.8677 0.8677 0.8700 0.8700 1.4146 1.4146 1.4195 1.4195 3.4113 3.4113 3.4181 3.4181 4.1325 4.1325 4.1464 4.1464 6.2232 6.2232 6.2289 6.2289 k = 0.5000 0.3616 0.4331 ( 8112 PWs) bands (ev): -9.1315 -9.1315 -9.1312 -9.1312 -2.6851 -2.6851 -2.6838 -2.6838 -2.3629 -2.3629 -2.3610 -2.3610 -2.0254 -2.0254 -2.0110 -2.0110 -1.9545 -1.9545 -1.9389 -1.9389 -1.6084 -1.6084 -1.5875 -1.5875 -1.4367 -1.4367 -1.4312 -1.4312 -1.1626 -1.1626 -1.1590 -1.1590 -1.0464 -1.0464 -1.0269 -1.0269 -0.8454 -0.8454 -0.8221 -0.8221 -0.7692 -0.7692 -0.7661 -0.7661 -0.4646 -0.4646 -0.4388 -0.4388 0.8685 0.8685 0.8708 0.8708 1.4497 1.4497 1.4542 1.4542 3.4002 3.4002 3.4067 3.4067 4.0857 4.0857 4.0989 4.0989 6.2915 6.2915 6.2956 6.2956 k = 0.5000 0.3403 0.4331 ( 8118 PWs) bands (ev): -9.1355 -9.1355 -9.1353 -9.1353 -2.6852 -2.6852 -2.6838 -2.6838 -2.3633 -2.3633 -2.3615 -2.3615 -2.0243 -2.0243 -2.0102 -2.0102 -1.9548 -1.9548 -1.9394 -1.9394 -1.6082 -1.6082 -1.5878 -1.5878 -1.4340 -1.4340 -1.4287 -1.4287 -1.1622 -1.1622 -1.1584 -1.1584 -1.0475 -1.0475 -1.0277 -1.0277 -0.8500 -0.8500 -0.8265 -0.8265 -0.7702 -0.7702 -0.7665 -0.7665 -0.4943 -0.4943 -0.4673 -0.4673 0.8688 0.8688 0.8711 0.8711 1.4853 1.4853 1.4895 1.4895 3.3897 3.3897 3.3961 3.3961 4.0403 4.0403 4.0527 4.0527 6.3305 6.3305 6.3336 6.3336 k = 0.5000 0.3190 0.4331 ( 8124 PWs) bands (ev): -9.1394 -9.1394 -9.1392 -9.1392 -2.6852 -2.6852 -2.6839 -2.6839 -2.3637 -2.3637 -2.3620 -2.3620 -2.0231 -2.0231 -2.0095 -2.0095 -1.9550 -1.9550 -1.9400 -1.9400 -1.6081 -1.6081 -1.5884 -1.5884 -1.4315 -1.4315 -1.4264 -1.4264 -1.1617 -1.1617 -1.1580 -1.1580 -1.0486 -1.0486 -1.0286 -1.0286 -0.8543 -0.8543 -0.8306 -0.8306 -0.7711 -0.7711 -0.7669 -0.7669 -0.5224 -0.5224 -0.4943 -0.4943 0.8686 0.8686 0.8709 0.8709 1.5213 1.5213 1.5252 1.5252 3.3800 3.3800 3.3861 3.3861 3.9964 3.9964 4.0081 4.0081 6.3448 6.3448 6.3475 6.3475 k = 0.5000 0.2977 0.4331 ( 8118 PWs) bands (ev): -9.1432 -9.1432 -9.1430 -9.1430 -2.6852 -2.6852 -2.6839 -2.6839 -2.3641 -2.3641 -2.3624 -2.3624 -2.0220 -2.0220 -2.0089 -2.0089 -1.9552 -1.9552 -1.9406 -1.9406 -1.6080 -1.6080 -1.5891 -1.5891 -1.4289 -1.4289 -1.4241 -1.4241 -1.1613 -1.1613 -1.1577 -1.1577 -1.0495 -1.0495 -1.0296 -1.0296 -0.8581 -0.8581 -0.8345 -0.8345 -0.7720 -0.7720 -0.7674 -0.7674 -0.5489 -0.5489 -0.5198 -0.5198 0.8680 0.8680 0.8702 0.8702 1.5575 1.5575 1.5610 1.5610 3.3709 3.3709 3.3767 3.3767 3.9542 3.9542 3.9651 3.9651 6.3434 6.3434 6.3459 6.3459 k = 0.5000 0.2765 0.4331 ( 8102 PWs) bands (ev): -9.1469 -9.1469 -9.1467 -9.1467 -2.6853 -2.6853 -2.6840 -2.6840 -2.3645 -2.3645 -2.3629 -2.3629 -2.0209 -2.0209 -2.0084 -2.0084 -1.9553 -1.9553 -1.9413 -1.9413 -1.6080 -1.6080 -1.5899 -1.5899 -1.4265 -1.4265 -1.4219 -1.4219 -1.1609 -1.1609 -1.1574 -1.1574 -1.0503 -1.0503 -1.0307 -1.0307 -0.8616 -0.8616 -0.8380 -0.8380 -0.7729 -0.7729 -0.7679 -0.7679 -0.5735 -0.5735 -0.5437 -0.5437 0.8671 0.8671 0.8693 0.8693 1.5934 1.5934 1.5966 1.5966 3.3624 3.3624 3.3680 3.3680 3.9138 3.9138 3.9241 3.9241 6.3332 6.3332 6.3356 6.3356 k = 0.5000 0.2552 0.4331 ( 8114 PWs) bands (ev): -9.1504 -9.1504 -9.1502 -9.1502 -2.6853 -2.6853 -2.6841 -2.6841 -2.3649 -2.3649 -2.3634 -2.3634 -2.0198 -2.0198 -2.0081 -2.0081 -1.9555 -1.9555 -1.9421 -1.9421 -1.6081 -1.6081 -1.5910 -1.5910 -1.4242 -1.4242 -1.4198 -1.4198 -1.1606 -1.1606 -1.1572 -1.1572 -1.0510 -1.0510 -1.0318 -1.0318 -0.8646 -0.8646 -0.8412 -0.8412 -0.7739 -0.7739 -0.7685 -0.7685 -0.5964 -0.5964 -0.5660 -0.5660 0.8659 0.8659 0.8681 0.8681 1.6287 1.6287 1.6316 1.6316 3.3546 3.3546 3.3599 3.3599 3.8755 3.8755 3.8850 3.8850 6.3185 6.3185 6.3208 6.3208 k = 0.5000 0.2339 0.4331 ( 8122 PWs) bands (ev): -9.1537 -9.1537 -9.1535 -9.1535 -2.6853 -2.6853 -2.6841 -2.6841 -2.3652 -2.3652 -2.3638 -2.3638 -2.0188 -2.0188 -2.0078 -2.0078 -1.9556 -1.9556 -1.9430 -1.9430 -1.6082 -1.6082 -1.5922 -1.5922 -1.4221 -1.4221 -1.4180 -1.4180 -1.1603 -1.1603 -1.1571 -1.1571 -1.0515 -1.0515 -1.0331 -1.0331 -0.8670 -0.8670 -0.8440 -0.8440 -0.7749 -0.7749 -0.7693 -0.7693 -0.6173 -0.6173 -0.5867 -0.5867 0.8646 0.8646 0.8667 0.8667 1.6632 1.6632 1.6658 1.6658 3.3475 3.3475 3.3524 3.3524 3.8393 3.8393 3.8480 3.8480 6.3017 6.3017 6.3038 6.3038 k = 0.5000 0.2127 0.4331 ( 8122 PWs) bands (ev): -9.1568 -9.1568 -9.1566 -9.1566 -2.6854 -2.6854 -2.6842 -2.6842 -2.3655 -2.3655 -2.3642 -2.3642 -2.0178 -2.0178 -2.0076 -2.0076 -1.9557 -1.9557 -1.9439 -1.9439 -1.6084 -1.6084 -1.5936 -1.5936 -1.4200 -1.4200 -1.4162 -1.4162 -1.1600 -1.1600 -1.1571 -1.1571 -1.0519 -1.0519 -1.0343 -1.0343 -0.8690 -0.8690 -0.8464 -0.8464 -0.7761 -0.7761 -0.7702 -0.7702 -0.6362 -0.6362 -0.6057 -0.6057 0.8632 0.8632 0.8651 0.8651 1.6964 1.6964 1.6987 1.6987 3.3410 3.3410 3.3456 3.3456 3.8055 3.8055 3.8134 3.8134 6.2843 6.2843 6.2862 6.2862 k = 0.5000 0.1914 0.4331 ( 8122 PWs) bands (ev): -9.1596 -9.1596 -9.1594 -9.1594 -2.6853 -2.6853 -2.6843 -2.6843 -2.3658 -2.3658 -2.3646 -2.3646 -2.0168 -2.0168 -2.0075 -2.0075 -1.9557 -1.9557 -1.9448 -1.9448 -1.6086 -1.6086 -1.5950 -1.5950 -1.4182 -1.4182 -1.4147 -1.4147 -1.1598 -1.1598 -1.1572 -1.1572 -1.0521 -1.0521 -1.0357 -1.0357 -0.8703 -0.8703 -0.8485 -0.8485 -0.7773 -0.7773 -0.7715 -0.7715 -0.6530 -0.6530 -0.6231 -0.6231 0.8618 0.8618 0.8636 0.8636 1.7281 1.7281 1.7300 1.7300 3.3351 3.3351 3.3394 3.3394 3.7741 3.7741 3.7813 3.7813 6.2671 6.2671 6.2688 6.2688 k = 0.5000 0.1701 0.4331 ( 8122 PWs) bands (ev): -9.1622 -9.1622 -9.1621 -9.1621 -2.6854 -2.6854 -2.6844 -2.6844 -2.3660 -2.3660 -2.3650 -2.3650 -2.0159 -2.0159 -2.0075 -2.0075 -1.9557 -1.9557 -1.9457 -1.9457 -1.6088 -1.6088 -1.5965 -1.5965 -1.4164 -1.4164 -1.4133 -1.4133 -1.1596 -1.1596 -1.1573 -1.1573 -1.0522 -1.0522 -1.0370 -1.0370 -0.8711 -0.8711 -0.8502 -0.8502 -0.7786 -0.7786 -0.7730 -0.7730 -0.6676 -0.6676 -0.6388 -0.6388 0.8604 0.8604 0.8620 0.8620 1.7577 1.7577 1.7593 1.7593 3.3299 3.3299 3.3338 3.3338 3.7453 3.7453 3.7518 3.7518 6.2507 6.2507 6.2522 6.2522 k = 0.5000 0.1489 0.4331 ( 8122 PWs) bands (ev): -9.1645 -9.1645 -9.1644 -9.1644 -2.6854 -2.6854 -2.6845 -2.6845 -2.3663 -2.3663 -2.3653 -2.3653 -2.0150 -2.0150 -2.0076 -2.0076 -1.9556 -1.9556 -1.9467 -1.9467 -1.6089 -1.6089 -1.5981 -1.5981 -1.4149 -1.4149 -1.4120 -1.4120 -1.1595 -1.1595 -1.1574 -1.1574 -1.0521 -1.0521 -1.0384 -1.0384 -0.8714 -0.8714 -0.8517 -0.8517 -0.7799 -0.7799 -0.7749 -0.7749 -0.6800 -0.6800 -0.6528 -0.6528 0.8590 0.8590 0.8605 0.8605 1.7850 1.7850 1.7863 1.7863 3.3254 3.3254 3.3288 3.3288 3.7194 3.7194 3.7251 3.7251 6.2356 6.2356 6.2370 6.2370 k = 0.5000 0.1276 0.4331 ( 8120 PWs) bands (ev): -9.1666 -9.1666 -9.1665 -9.1665 -2.6853 -2.6853 -2.6846 -2.6846 -2.3664 -2.3664 -2.3657 -2.3657 -2.0141 -2.0141 -2.0077 -2.0077 -1.9555 -1.9555 -1.9477 -1.9477 -1.6090 -1.6090 -1.5996 -1.5996 -1.4135 -1.4135 -1.4110 -1.4110 -1.1593 -1.1593 -1.1576 -1.1576 -1.0518 -1.0518 -1.0397 -1.0397 -0.8711 -0.8711 -0.8529 -0.8529 -0.7814 -0.7814 -0.7771 -0.7771 -0.6900 -0.6900 -0.6652 -0.6652 0.8578 0.8578 0.8590 0.8590 1.8096 1.8096 1.8106 1.8106 3.3215 3.3215 3.3245 3.3245 3.6965 3.6965 3.7014 3.7014 6.2221 6.2221 6.2232 6.2232 k = 0.5000 0.1063 0.4331 ( 8122 PWs) bands (ev): -9.1683 -9.1683 -9.1682 -9.1682 -2.6853 -2.6853 -2.6847 -2.6847 -2.3666 -2.3666 -2.3659 -2.3659 -2.0133 -2.0133 -2.0079 -2.0079 -1.9552 -1.9552 -1.9486 -1.9486 -1.6090 -1.6090 -1.6011 -1.6011 -1.4123 -1.4123 -1.4102 -1.4102 -1.1592 -1.1592 -1.1577 -1.1577 -1.0513 -1.0513 -1.0411 -1.0411 -0.8703 -0.8703 -0.8541 -0.8541 -0.7829 -0.7829 -0.7795 -0.7795 -0.6977 -0.6977 -0.6760 -0.6760 0.8567 0.8567 0.8578 0.8578 1.8311 1.8311 1.8319 1.8319 3.3182 3.3182 3.3208 3.3208 3.6768 3.6768 3.6808 3.6808 6.2104 6.2104 6.2113 6.2113 k = 0.5000 0.0851 0.4331 ( 8116 PWs) bands (ev): -9.1698 -9.1698 -9.1697 -9.1697 -2.6853 -2.6853 -2.6848 -2.6848 -2.3667 -2.3667 -2.3662 -2.3662 -2.0125 -2.0125 -2.0082 -2.0082 -1.9549 -1.9549 -1.9496 -1.9496 -1.6088 -1.6088 -1.6025 -1.6025 -1.4113 -1.4113 -1.4095 -1.4095 -1.1590 -1.1590 -1.1579 -1.1579 -1.0507 -1.0507 -1.0424 -1.0424 -0.8691 -0.8691 -0.8553 -0.8553 -0.7844 -0.7844 -0.7820 -0.7820 -0.7031 -0.7031 -0.6852 -0.6852 0.8558 0.8558 0.8566 0.8566 1.8492 1.8492 1.8498 1.8498 3.3156 3.3156 3.3177 3.3177 3.6604 3.6604 3.6637 3.6637 6.2006 6.2006 6.2014 6.2014 k = 0.5000 0.0638 0.4331 ( 8122 PWs) bands (ev): -9.1709 -9.1709 -9.1709 -9.1709 -2.6853 -2.6853 -2.6849 -2.6849 -2.3668 -2.3668 -2.3664 -2.3664 -2.0118 -2.0118 -2.0085 -2.0085 -1.9545 -1.9545 -1.9505 -1.9505 -1.6086 -1.6086 -1.6038 -1.6038 -1.4104 -1.4104 -1.4091 -1.4091 -1.1589 -1.1589 -1.1580 -1.1580 -1.0500 -1.0500 -1.0437 -1.0437 -0.8675 -0.8675 -0.8566 -0.8566 -0.7858 -0.7858 -0.7843 -0.7843 -0.7066 -0.7066 -0.6928 -0.6928 0.8551 0.8551 0.8557 0.8557 1.8636 1.8636 1.8641 1.8641 3.3136 3.3136 3.3152 3.3152 3.6476 3.6476 3.6500 3.6500 6.1929 6.1929 6.1935 6.1935 k = 0.5000 0.0425 0.4331 ( 8126 PWs) bands (ev): -9.1717 -9.1717 -9.1717 -9.1717 -2.6853 -2.6853 -2.6850 -2.6850 -2.3668 -2.3668 -2.3666 -2.3666 -2.0111 -2.0111 -2.0089 -2.0089 -1.9540 -1.9540 -1.9513 -1.9513 -1.6082 -1.6082 -1.6050 -1.6050 -1.4097 -1.4097 -1.4088 -1.4088 -1.1588 -1.1588 -1.1582 -1.1582 -1.0492 -1.0492 -1.0450 -1.0450 -0.8657 -0.8657 -0.8581 -0.8581 -0.7870 -0.7870 -0.7862 -0.7862 -0.7082 -0.7082 -0.6989 -0.6989 0.8546 0.8546 0.8550 0.8550 1.8741 1.8741 1.8744 1.8744 3.3123 3.3123 3.3134 3.3134 3.6384 3.6384 3.6401 3.6401 6.1874 6.1874 6.1877 6.1877 k = 0.5000 0.0213 0.4331 ( 8128 PWs) bands (ev): -9.1722 -9.1722 -9.1722 -9.1722 -2.6852 -2.6852 -2.6851 -2.6851 -2.3668 -2.3668 -2.3667 -2.3667 -2.0105 -2.0105 -2.0094 -2.0094 -1.9535 -1.9535 -1.9521 -1.9521 -1.6076 -1.6076 -1.6060 -1.6060 -1.4092 -1.4092 -1.4088 -1.4088 -1.1587 -1.1587 -1.1584 -1.1584 -1.0483 -1.0483 -1.0462 -1.0462 -0.8637 -0.8637 -0.8598 -0.8598 -0.7877 -0.7877 -0.7874 -0.7874 -0.7081 -0.7081 -0.7034 -0.7034 0.8543 0.8543 0.8545 0.8545 1.8805 1.8805 1.8807 1.8807 3.3116 3.3116 3.3122 3.3122 3.6331 3.6331 3.6339 3.6339 6.1841 6.1841 6.1843 6.1843 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6852 -2.6852 -2.6852 -2.6852 -2.3668 -2.3668 -2.3668 -2.3668 -2.0099 -2.0099 -2.0099 -2.0099 -1.9528 -1.9528 -1.9528 -1.9528 -1.6069 -1.6069 -1.6069 -1.6069 -1.4089 -1.4089 -1.4089 -1.4089 -1.1585 -1.1585 -1.1585 -1.1585 -1.0473 -1.0473 -1.0473 -1.0473 -0.8617 -0.8617 -0.8617 -0.8617 -0.7879 -0.7879 -0.7879 -0.7879 -0.7065 -0.7065 -0.7065 -0.7065 0.8543 0.8543 0.8543 0.8543 1.8827 1.8827 1.8827 1.8827 3.3116 3.3116 3.3116 3.3116 3.6315 3.6315 3.6315 3.6315 6.1830 6.1830 6.1830 6.1830 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6852 -2.6852 -2.6852 -2.6852 -2.3668 -2.3668 -2.3668 -2.3668 -2.0099 -2.0099 -2.0099 -2.0099 -1.9528 -1.9528 -1.9528 -1.9528 -1.6069 -1.6069 -1.6069 -1.6069 -1.4089 -1.4089 -1.4089 -1.4089 -1.1585 -1.1585 -1.1585 -1.1585 -1.0473 -1.0473 -1.0473 -1.0473 -0.8617 -0.8617 -0.8617 -0.8617 -0.7879 -0.7879 -0.7879 -0.7879 -0.7065 -0.7065 -0.7065 -0.7065 0.8543 0.8543 0.8543 0.8543 1.8827 1.8827 1.8827 1.8827 3.3116 3.3116 3.3116 3.3116 3.6315 3.6315 3.6315 3.6315 6.1830 6.1830 6.1830 6.1830 k = 0.5000-0.0000 0.4114 ( 8124 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6851 -2.6851 -2.6851 -2.6851 -2.3668 -2.3668 -2.3668 -2.3668 -2.0099 -2.0099 -2.0099 -2.0099 -1.9529 -1.9529 -1.9525 -1.9525 -1.6071 -1.6071 -1.6066 -1.6066 -1.4089 -1.4089 -1.4089 -1.4089 -1.1586 -1.1586 -1.1584 -1.1584 -1.0474 -1.0474 -1.0470 -1.0470 -0.8617 -0.8617 -0.8614 -0.8614 -0.7881 -0.7881 -0.7877 -0.7877 -0.7065 -0.7065 -0.7063 -0.7063 0.8527 0.8527 0.8527 0.8527 1.8826 1.8826 1.8828 1.8828 3.3054 3.3054 3.3058 3.3058 3.6400 3.6400 3.6411 3.6411 6.1808 6.1808 6.1816 6.1816 k = 0.5000-0.0000 0.3898 ( 8130 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6850 -2.6850 -2.6850 -2.6850 -2.3669 -2.3669 -2.3668 -2.3668 -2.0098 -2.0098 -2.0097 -2.0097 -1.9526 -1.9526 -1.9519 -1.9519 -1.6073 -1.6073 -1.6062 -1.6062 -1.4089 -1.4089 -1.4088 -1.4088 -1.1588 -1.1588 -1.1584 -1.1584 -1.0474 -1.0474 -1.0467 -1.0467 -0.8614 -0.8614 -0.8608 -0.8608 -0.7884 -0.7884 -0.7875 -0.7875 -0.7065 -0.7065 -0.7060 -0.7060 0.8480 0.8480 0.8480 0.8480 1.8825 1.8825 1.8828 1.8828 3.2890 3.2890 3.2897 3.2897 3.6648 3.6648 3.6669 3.6669 6.1750 6.1750 6.1765 6.1765 k = 0.5000-0.0000 0.3681 ( 8132 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6848 -2.6848 -2.6848 -2.6848 -2.3669 -2.3669 -2.3669 -2.3669 -2.0096 -2.0096 -2.0095 -2.0095 -1.9521 -1.9521 -1.9511 -1.9511 -1.6072 -1.6072 -1.6057 -1.6057 -1.4089 -1.4089 -1.4087 -1.4087 -1.1589 -1.1589 -1.1583 -1.1583 -1.0474 -1.0474 -1.0464 -1.0464 -0.8608 -0.8608 -0.8599 -0.8599 -0.7887 -0.7887 -0.7873 -0.7873 -0.7062 -0.7062 -0.7056 -0.7056 0.8402 0.8402 0.8403 0.8403 1.8824 1.8824 1.8828 1.8828 3.2663 3.2663 3.2670 3.2670 3.7022 3.7022 3.7049 3.7049 6.1654 6.1654 6.1676 6.1676 k = 0.5000-0.0000 0.3464 ( 8138 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6846 -2.6846 -2.6845 -2.6845 -2.3670 -2.3670 -2.3670 -2.3670 -2.0094 -2.0094 -2.0092 -2.0092 -1.9513 -1.9513 -1.9500 -1.9500 -1.6071 -1.6071 -1.6051 -1.6051 -1.4089 -1.4089 -1.4086 -1.4086 -1.1590 -1.1590 -1.1583 -1.1583 -1.0472 -1.0472 -1.0459 -1.0459 -0.8600 -0.8600 -0.8587 -0.8587 -0.7891 -0.7891 -0.7871 -0.7871 -0.7059 -0.7059 -0.7050 -0.7050 0.8297 0.8297 0.8297 0.8297 1.8823 1.8823 1.8828 1.8828 3.2403 3.2403 3.2411 3.2411 3.7485 3.7485 3.7518 3.7518 6.1519 6.1519 6.1548 6.1548 k = 0.5000-0.0000 0.3248 ( 8132 PWs) bands (ev): -9.1725 -9.1725 -9.1725 -9.1725 -2.6843 -2.6843 -2.6843 -2.6843 -2.3671 -2.3671 -2.3670 -2.3670 -2.0091 -2.0091 -2.0089 -2.0089 -1.9502 -1.9502 -1.9487 -1.9487 -1.6069 -1.6069 -1.6045 -1.6045 -1.4088 -1.4088 -1.4085 -1.4085 -1.1591 -1.1591 -1.1583 -1.1583 -1.0469 -1.0469 -1.0454 -1.0454 -0.8589 -0.8589 -0.8573 -0.8573 -0.7894 -0.7894 -0.7870 -0.7870 -0.7054 -0.7054 -0.7043 -0.7043 0.8166 0.8166 0.8167 0.8167 1.8822 1.8822 1.8828 1.8828 3.2134 3.2134 3.2141 3.2141 3.8012 3.8012 3.8051 3.8051 6.1344 6.1344 6.1380 6.1380 k = 0.5000-0.0000 0.3031 ( 8128 PWs) bands (ev): -9.1725 -9.1725 -9.1725 -9.1725 -2.6839 -2.6839 -2.6839 -2.6839 -2.3672 -2.3672 -2.3671 -2.3671 -2.0087 -2.0087 -2.0085 -2.0085 -1.9489 -1.9489 -1.9471 -1.9471 -1.6065 -1.6065 -1.6038 -1.6038 -1.4086 -1.4086 -1.4083 -1.4083 -1.1592 -1.1592 -1.1583 -1.1583 -1.0466 -1.0466 -1.0448 -1.0448 -0.8575 -0.8575 -0.8556 -0.8556 -0.7898 -0.7898 -0.7869 -0.7869 -0.7048 -0.7048 -0.7035 -0.7035 0.8015 0.8015 0.8016 0.8016 1.8821 1.8821 1.8828 1.8828 3.1869 3.1869 3.1874 3.1874 3.8589 3.8589 3.8632 3.8632 6.1128 6.1128 6.1171 6.1171 k = 0.5000-0.0000 0.2815 ( 8136 PWs) bands (ev): -9.1726 -9.1726 -9.1726 -9.1726 -2.6836 -2.6836 -2.6835 -2.6835 -2.3674 -2.3674 -2.3673 -2.3673 -2.0084 -2.0084 -2.0081 -2.0081 -1.9474 -1.9474 -1.9455 -1.9455 -1.6061 -1.6061 -1.6031 -1.6031 -1.4085 -1.4085 -1.4082 -1.4082 -1.1594 -1.1594 -1.1583 -1.1583 -1.0462 -1.0462 -1.0442 -1.0442 -0.8560 -0.8560 -0.8537 -0.8537 -0.7902 -0.7902 -0.7868 -0.7868 -0.7040 -0.7040 -0.7025 -0.7025 0.7845 0.7845 0.7846 0.7846 1.8820 1.8820 1.8827 1.8827 3.1613 3.1613 3.1617 3.1617 3.9202 3.9202 3.9250 3.9250 6.0870 6.0870 6.0919 6.0919 k = 0.5000-0.0000 0.2598 ( 8126 PWs) bands (ev): -9.1726 -9.1726 -9.1726 -9.1726 -2.6832 -2.6832 -2.6831 -2.6831 -2.3675 -2.3675 -2.3674 -2.3674 -2.0080 -2.0080 -2.0077 -2.0077 -1.9457 -1.9457 -1.9436 -1.9436 -1.6056 -1.6056 -1.6023 -1.6023 -1.4083 -1.4083 -1.4080 -1.4080 -1.1595 -1.1595 -1.1584 -1.1584 -1.0457 -1.0457 -1.0436 -1.0436 -0.8543 -0.8543 -0.8517 -0.8517 -0.7906 -0.7906 -0.7868 -0.7868 -0.7031 -0.7031 -0.7015 -0.7015 0.7663 0.7663 0.7664 0.7664 1.8819 1.8819 1.8826 1.8826 3.1372 3.1372 3.1375 3.1375 3.9844 3.9844 3.9895 3.9895 6.0570 6.0570 6.0625 6.0625 k = 0.5000-0.0000 0.2382 ( 8130 PWs) bands (ev): -9.1727 -9.1727 -9.1727 -9.1727 -2.6828 -2.6828 -2.6827 -2.6827 -2.3676 -2.3676 -2.3675 -2.3675 -2.0076 -2.0076 -2.0073 -2.0073 -1.9438 -1.9438 -1.9417 -1.9417 -1.6049 -1.6049 -1.6016 -1.6016 -1.4081 -1.4081 -1.4079 -1.4079 -1.1596 -1.1596 -1.1585 -1.1585 -1.0452 -1.0452 -1.0430 -1.0430 -0.8524 -0.8524 -0.8495 -0.8495 -0.7911 -0.7911 -0.7868 -0.7868 -0.7022 -0.7022 -0.7004 -0.7004 0.7472 0.7472 0.7473 0.7473 1.8817 1.8817 1.8825 1.8825 3.1148 3.1148 3.1150 3.1150 4.0507 4.0507 4.0560 4.0560 6.0230 6.0230 6.0290 6.0290 k = 0.5000-0.0000 0.2165 ( 8130 PWs) bands (ev): -9.1727 -9.1727 -9.1727 -9.1727 -2.6823 -2.6823 -2.6823 -2.6823 -2.3677 -2.3677 -2.3676 -2.3676 -2.0072 -2.0072 -2.0069 -2.0069 -1.9419 -1.9419 -1.9397 -1.9397 -1.6042 -1.6042 -1.6009 -1.6009 -1.4079 -1.4079 -1.4077 -1.4077 -1.1597 -1.1597 -1.1586 -1.1586 -1.0446 -1.0446 -1.0424 -1.0424 -0.8504 -0.8504 -0.8473 -0.8473 -0.7915 -0.7915 -0.7869 -0.7869 -0.7011 -0.7011 -0.6992 -0.6992 0.7277 0.7277 0.7279 0.7279 1.8816 1.8816 1.8824 1.8824 3.0941 3.0941 3.0943 3.0943 4.1182 4.1182 4.1238 4.1238 5.9853 5.9853 5.9917 5.9917 k = 0.5000-0.0000 0.1949 ( 8122 PWs) bands (ev): -9.1728 -9.1728 -9.1728 -9.1728 -2.6819 -2.6819 -2.6819 -2.6819 -2.3678 -2.3678 -2.3677 -2.3677 -2.0069 -2.0069 -2.0065 -2.0065 -1.9399 -1.9399 -1.9377 -1.9377 -1.6035 -1.6035 -1.6002 -1.6002 -1.4077 -1.4077 -1.4075 -1.4075 -1.1598 -1.1598 -1.1587 -1.1587 -1.0440 -1.0440 -1.0419 -1.0419 -0.8484 -0.8484 -0.8451 -0.8451 -0.7919 -0.7919 -0.7870 -0.7870 -0.6999 -0.6999 -0.6980 -0.6980 0.7083 0.7083 0.7085 0.7085 1.8815 1.8815 1.8823 1.8823 3.0754 3.0754 3.0755 3.0755 4.1863 4.1863 4.1921 4.1921 5.9443 5.9443 5.9510 5.9510 k = 0.5000-0.0000 0.1732 ( 8128 PWs) bands (ev): -9.1729 -9.1729 -9.1729 -9.1729 -2.6816 -2.6816 -2.6815 -2.6815 -2.3679 -2.3679 -2.3678 -2.3678 -2.0065 -2.0065 -2.0062 -2.0062 -1.9379 -1.9379 -1.9358 -1.9358 -1.6027 -1.6027 -1.5996 -1.5996 -1.4075 -1.4075 -1.4074 -1.4074 -1.1599 -1.1599 -1.1589 -1.1589 -1.0434 -1.0434 -1.0414 -1.0414 -0.8464 -0.8464 -0.8429 -0.8429 -0.7922 -0.7922 -0.7872 -0.7872 -0.6987 -0.6987 -0.6968 -0.6968 0.6895 0.6895 0.6897 0.6897 1.8814 1.8814 1.8822 1.8822 3.0586 3.0586 3.0586 3.0586 4.2541 4.2541 4.2599 4.2599 5.9008 5.9008 5.9076 5.9076 k = 0.5000-0.0000 0.1516 ( 8126 PWs) bands (ev): -9.1729 -9.1729 -9.1729 -9.1729 -2.6812 -2.6812 -2.6811 -2.6811 -2.3679 -2.3679 -2.3679 -2.3679 -2.0062 -2.0062 -2.0059 -2.0059 -1.9360 -1.9360 -1.9340 -1.9340 -1.6020 -1.6020 -1.5990 -1.5990 -1.4073 -1.4073 -1.4072 -1.4072 -1.1600 -1.1600 -1.1590 -1.1590 -1.0428 -1.0428 -1.0409 -1.0409 -0.8444 -0.8444 -0.8409 -0.8409 -0.7925 -0.7925 -0.7875 -0.7875 -0.6974 -0.6974 -0.6956 -0.6956 0.6717 0.6717 0.6719 0.6719 1.8814 1.8814 1.8820 1.8820 3.0437 3.0437 3.0438 3.0438 4.3205 4.3205 4.3263 4.3263 5.8556 5.8556 5.8624 5.8624 k = 0.5000-0.0000 0.1299 ( 8118 PWs) bands (ev): -9.1730 -9.1730 -9.1730 -9.1730 -2.6808 -2.6808 -2.6808 -2.6808 -2.3680 -2.3680 -2.3679 -2.3679 -2.0060 -2.0060 -2.0057 -2.0057 -1.9341 -1.9341 -1.9323 -1.9323 -1.6012 -1.6012 -1.5985 -1.5985 -1.4071 -1.4071 -1.4071 -1.4071 -1.1600 -1.1600 -1.1592 -1.1592 -1.0422 -1.0422 -1.0405 -1.0405 -0.8424 -0.8424 -0.8390 -0.8390 -0.7927 -0.7927 -0.7878 -0.7878 -0.6962 -0.6962 -0.6944 -0.6944 0.6553 0.6553 0.6555 0.6555 1.8813 1.8813 1.8819 1.8819 3.0308 3.0308 3.0309 3.0309 4.3844 4.3844 4.3901 4.3901 5.8101 5.8101 5.8167 5.8167 k = 0.5000-0.0000 0.1083 ( 8118 PWs) bands (ev): -9.1730 -9.1730 -9.1730 -9.1730 -2.6805 -2.6805 -2.6805 -2.6805 -2.3680 -2.3680 -2.3680 -2.3680 -2.0057 -2.0057 -2.0055 -2.0055 -1.9324 -1.9324 -1.9309 -1.9309 -1.6004 -1.6004 -1.5981 -1.5981 -1.4070 -1.4070 -1.4069 -1.4069 -1.1600 -1.1600 -1.1593 -1.1593 -1.0417 -1.0417 -1.0401 -1.0401 -0.8406 -0.8406 -0.8374 -0.8374 -0.7928 -0.7928 -0.7883 -0.7883 -0.6950 -0.6950 -0.6934 -0.6934 0.6408 0.6408 0.6409 0.6409 1.8812 1.8812 1.8817 1.8817 3.0199 3.0199 3.0200 3.0200 4.4443 4.4443 4.4496 4.4496 5.7658 5.7658 5.7720 5.7720 k = 0.5000-0.0000 0.0866 ( 8124 PWs) bands (ev): -9.1731 -9.1731 -9.1730 -9.1730 -2.6803 -2.6803 -2.6802 -2.6802 -2.3681 -2.3681 -2.3680 -2.3680 -2.0055 -2.0055 -2.0053 -2.0053 -1.9310 -1.9310 -1.9297 -1.9297 -1.5998 -1.5998 -1.5978 -1.5978 -1.4068 -1.4068 -1.4068 -1.4068 -1.1600 -1.1600 -1.1595 -1.1595 -1.0412 -1.0412 -1.0399 -1.0399 -0.8390 -0.8390 -0.8361 -0.8361 -0.7927 -0.7927 -0.7888 -0.7888 -0.6939 -0.6939 -0.6926 -0.6926 0.6284 0.6284 0.6285 0.6285 1.8812 1.8812 1.8816 1.8816 3.0109 3.0109 3.0110 3.0110 4.4983 4.4983 4.5031 4.5031 5.7246 5.7246 5.7301 5.7301 k = 0.5000-0.0000 0.0650 ( 8126 PWs) bands (ev): -9.1731 -9.1731 -9.1731 -9.1731 -2.6801 -2.6801 -2.6800 -2.6800 -2.3681 -2.3681 -2.3681 -2.3681 -2.0054 -2.0054 -2.0052 -2.0052 -1.9297 -1.9297 -1.9287 -1.9287 -1.5991 -1.5991 -1.5976 -1.5976 -1.4067 -1.4067 -1.4067 -1.4067 -1.1600 -1.1600 -1.1596 -1.1596 -1.0408 -1.0408 -1.0398 -1.0398 -0.8375 -0.8375 -0.8352 -0.8352 -0.7925 -0.7925 -0.7894 -0.7894 -0.6930 -0.6930 -0.6919 -0.6919 0.6184 0.6184 0.6185 0.6185 1.8812 1.8812 1.8815 1.8815 3.0040 3.0040 3.0040 3.0040 4.5444 4.5444 4.5483 4.5483 5.6888 5.6888 5.6933 5.6933 k = 0.5000-0.0000 0.0433 ( 8138 PWs) bands (ev): -9.1731 -9.1731 -9.1731 -9.1731 -2.6799 -2.6799 -2.6799 -2.6799 -2.3681 -2.3681 -2.3681 -2.3681 -2.0053 -2.0053 -2.0052 -2.0052 -1.9288 -1.9288 -1.9281 -1.9281 -1.5986 -1.5986 -1.5976 -1.5976 -1.4067 -1.4067 -1.4066 -1.4066 -1.1600 -1.1600 -1.1597 -1.1597 -1.0404 -1.0404 -1.0397 -1.0397 -0.8363 -0.8363 -0.8347 -0.8347 -0.7922 -0.7922 -0.7900 -0.7900 -0.6922 -0.6922 -0.6915 -0.6915 0.6112 0.6112 0.6112 0.6112 1.8812 1.8812 1.8814 1.8814 2.9990 2.9990 2.9990 2.9990 4.5801 4.5801 4.5830 4.5830 5.6609 5.6609 5.6641 5.6641 k = 0.5000-0.0000 0.0217 ( 8154 PWs) bands (ev): -9.1731 -9.1731 -9.1731 -9.1731 -2.6799 -2.6799 -2.6799 -2.6799 -2.3681 -2.3681 -2.3681 -2.3681 -2.0052 -2.0052 -2.0052 -2.0052 -1.9282 -1.9282 -1.9278 -1.9278 -1.5982 -1.5982 -1.5977 -1.5977 -1.4066 -1.4066 -1.4066 -1.4066 -1.1600 -1.1600 -1.1598 -1.1598 -1.0401 -1.0401 -1.0398 -1.0398 -0.8354 -0.8354 -0.8346 -0.8346 -0.7918 -0.7918 -0.7906 -0.7906 -0.6917 -0.6917 -0.6913 -0.6913 0.6067 0.6067 0.6067 0.6067 1.8812 1.8812 1.8813 1.8813 2.9960 2.9960 2.9960 2.9960 4.6031 4.6031 4.6046 4.6046 5.6433 5.6433 5.6450 5.6450 k = 0.5000-0.0000-0.0000 ( 8152 PWs) bands (ev): -9.1731 -9.1731 -9.1731 -9.1731 -2.6798 -2.6798 -2.6798 -2.6798 -2.3681 -2.3681 -2.3681 -2.3681 -2.0052 -2.0052 -2.0052 -2.0052 -1.9278 -1.9278 -1.9278 -1.9278 -1.5979 -1.5979 -1.5979 -1.5979 -1.4066 -1.4066 -1.4066 -1.4066 -1.1599 -1.1599 -1.1599 -1.1599 -1.0399 -1.0399 -1.0399 -1.0399 -0.8348 -0.8348 -0.8348 -0.8348 -0.7912 -0.7912 -0.7912 -0.7912 -0.6914 -0.6914 -0.6914 -0.6914 0.6052 0.6052 0.6052 0.6052 1.8812 1.8812 1.8812 1.8812 2.9950 2.9950 2.9950 2.9950 4.6115 4.6115 4.6115 4.6115 5.6378 5.6378 5.6378 5.6378 k = 0.0000 0.0000 0.4331 ( 8100 PWs) bands (ev): -9.2520 -9.2520 -9.1100 -9.1100 -2.8118 -2.8118 -2.7035 -2.7035 -2.4857 -2.4857 -2.1159 -2.1159 -2.0873 -2.0873 -1.9240 -1.9240 -1.8589 -1.8589 -1.8522 -1.8522 -1.7497 -1.7497 -1.4983 -1.4983 -1.3403 -1.3403 -1.2549 -1.2549 -1.2490 -1.2490 -1.1368 -1.1368 -1.0928 -1.0928 -1.0592 -1.0592 -0.9564 -0.9564 -0.8378 -0.8378 -0.7164 -0.7164 -0.6569 -0.6569 -0.5094 -0.5094 0.0521 0.0521 0.1514 0.1514 0.6167 0.6167 1.3784 1.3784 1.7383 1.7383 1.9818 1.9818 2.7644 2.7644 4.7253 4.7253 4.7895 4.7895 5.2098 5.2098 7.1478 7.1478 k = 0.0217-0.0000 0.4331 ( 8106 PWs) bands (ev): -9.2518 -9.2518 -9.1101 -9.1101 -2.8112 -2.8112 -2.7034 -2.7034 -2.4855 -2.4855 -2.1158 -2.1158 -2.0888 -2.0888 -1.9245 -1.9245 -1.8626 -1.8626 -1.8487 -1.8487 -1.7490 -1.7490 -1.4984 -1.4984 -1.3412 -1.3412 -1.2554 -1.2554 -1.2483 -1.2483 -1.1371 -1.1371 -1.0926 -1.0926 -1.0586 -1.0586 -0.9567 -0.9567 -0.8378 -0.8378 -0.7176 -0.7176 -0.6576 -0.6576 -0.5118 -0.5118 0.0495 0.0495 0.1557 0.1557 0.6147 0.6147 1.3882 1.3882 1.7390 1.7390 1.9816 1.9816 2.7661 2.7661 4.7082 4.7082 4.7863 4.7863 5.2281 5.2281 7.1446 7.1446 k = 0.0435-0.0000 0.4331 ( 8100 PWs) bands (ev): -9.2512 -9.2512 -9.1105 -9.1105 -2.8094 -2.8094 -2.7032 -2.7032 -2.4848 -2.4848 -2.1158 -2.1158 -2.0927 -2.0927 -1.9260 -1.9260 -1.8682 -1.8682 -1.8436 -1.8436 -1.7468 -1.7468 -1.4988 -1.4988 -1.3438 -1.3438 -1.2568 -1.2568 -1.2464 -1.2464 -1.1381 -1.1381 -1.0920 -1.0920 -1.0570 -1.0570 -0.9576 -0.9576 -0.8376 -0.8376 -0.7213 -0.7213 -0.6597 -0.6597 -0.5187 -0.5187 0.0413 0.0413 0.1686 0.1686 0.6095 0.6095 1.4167 1.4167 1.7412 1.7412 1.9811 1.9811 2.7713 2.7713 4.6631 4.6631 4.7766 4.7766 5.2766 5.2766 7.1352 7.1352 k = 0.0652-0.0000 0.4331 ( 8108 PWs) bands (ev): -9.2502 -9.2502 -9.1111 -9.1111 -2.8064 -2.8064 -2.7028 -2.7028 -2.4838 -2.4838 -2.1166 -2.1166 -2.0983 -2.0983 -1.9285 -1.9285 -1.8738 -1.8738 -1.8391 -1.8391 -1.7432 -1.7432 -1.4994 -1.4994 -1.3480 -1.3480 -1.2590 -1.2590 -1.2434 -1.2434 -1.1395 -1.1395 -1.0910 -1.0910 -1.0543 -1.0543 -0.9590 -0.9590 -0.8373 -0.8373 -0.7272 -0.7272 -0.6629 -0.6629 -0.5298 -0.5298 0.0269 0.0269 0.1893 0.1893 0.6036 0.6036 1.4611 1.4611 1.7452 1.7452 1.9803 1.9803 2.7800 2.7800 4.6014 4.6014 4.7605 4.7605 5.3438 5.3438 7.1192 7.1192 k = 0.0870-0.0000 0.4331 ( 8114 PWs) bands (ev): -9.2488 -9.2488 -9.1120 -9.1120 -2.8023 -2.8023 -2.7023 -2.7023 -2.4823 -2.4823 -2.1205 -2.1205 -2.1028 -2.1028 -1.9320 -1.9320 -1.8791 -1.8791 -1.8357 -1.8357 -1.7383 -1.7383 -1.5001 -1.5001 -1.3535 -1.3535 -1.2621 -1.2621 -1.2396 -1.2396 -1.1414 -1.1414 -1.0898 -1.0898 -1.0505 -1.0505 -0.9609 -0.9609 -0.8370 -0.8370 -0.7351 -0.7351 -0.6666 -0.6666 -0.5441 -0.5441 0.0058 0.0058 0.2170 0.2170 0.5996 0.5996 1.5182 1.5182 1.7516 1.7516 1.9792 1.9792 2.7920 2.7920 4.5314 4.5314 4.7385 4.7385 5.4211 5.4211 7.0964 7.0964 k = 0.1087-0.0000 0.4331 ( 8122 PWs) bands (ev): -9.2470 -9.2470 -9.1131 -9.1131 -2.7971 -2.7971 -2.7016 -2.7016 -2.4803 -2.4803 -2.1295 -2.1295 -2.1037 -2.1037 -1.9363 -1.9363 -1.8842 -1.8842 -1.8335 -1.8335 -1.7323 -1.7323 -1.5011 -1.5011 -1.3601 -1.3601 -1.2660 -1.2660 -1.2352 -1.2352 -1.1434 -1.1434 -1.0886 -1.0886 -1.0458 -1.0458 -0.9632 -0.9632 -0.8367 -0.8367 -0.7445 -0.7445 -0.6707 -0.6707 -0.5610 -0.5610 -0.0221 -0.0221 0.2505 0.2505 0.5997 0.5997 1.5833 1.5833 1.7621 1.7621 1.9777 1.9777 2.8074 2.8074 4.4578 4.4578 4.7107 4.7107 5.5033 5.5033 7.0665 7.0665 k = 0.1304-0.0000 0.4331 ( 8118 PWs) bands (ev): -9.2448 -9.2448 -9.1145 -9.1145 -2.7909 -2.7909 -2.7006 -2.7006 -2.4779 -2.4779 -2.1419 -2.1419 -2.1023 -2.1023 -1.9414 -1.9414 -1.8891 -1.8891 -1.8327 -1.8327 -1.7255 -1.7255 -1.5023 -1.5023 -1.3677 -1.3677 -1.2709 -1.2709 -1.2302 -1.2302 -1.1455 -1.1455 -1.0875 -1.0875 -1.0400 -1.0400 -0.9659 -0.9659 -0.8363 -0.8363 -0.7547 -0.7547 -0.6752 -0.6752 -0.5794 -0.5794 -0.0562 -0.0562 0.2885 0.2885 0.6049 0.6049 1.6489 1.6489 1.7819 1.7819 1.9759 1.9759 2.8259 2.8259 4.3832 4.3832 4.6777 4.6777 5.5875 5.5875 7.0294 7.0294 k = 0.1522-0.0000 0.4331 ( 8128 PWs) bands (ev): -9.2423 -9.2423 -9.1161 -9.1161 -2.7840 -2.7840 -2.6997 -2.6997 -2.4751 -2.4751 -2.1560 -2.1560 -2.0998 -2.0998 -1.9472 -1.9472 -1.8939 -1.8939 -1.8332 -1.8332 -1.7181 -1.7181 -1.5037 -1.5037 -1.3760 -1.3760 -1.2765 -1.2765 -1.2249 -1.2249 -1.1476 -1.1476 -1.0866 -1.0866 -1.0333 -1.0333 -0.9687 -0.9687 -0.8361 -0.8361 -0.7649 -0.7649 -0.6802 -0.6802 -0.5984 -0.5984 -0.0955 -0.0955 0.3297 0.3297 0.6153 0.6153 1.7001 1.7001 1.8241 1.8241 1.9737 1.9737 2.8475 2.8475 4.3092 4.3092 4.6398 4.6398 5.6712 5.6712 6.9851 6.9851 k = 0.1739-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.2394 -9.2394 -9.1179 -9.1179 -2.7764 -2.7764 -2.6985 -2.6985 -2.4718 -2.4718 -2.1712 -2.1712 -2.0966 -2.0966 -1.9536 -1.9536 -1.8987 -1.8987 -1.8348 -1.8348 -1.7105 -1.7105 -1.5053 -1.5053 -1.3848 -1.3848 -1.2830 -1.2830 -1.2193 -1.2193 -1.1494 -1.1494 -1.0860 -1.0860 -1.0257 -1.0257 -0.9716 -0.9716 -0.8362 -0.8362 -0.7746 -0.7746 -0.6860 -0.6860 -0.6171 -0.6171 -0.1389 -0.1389 0.3733 0.3733 0.6301 0.6301 1.7285 1.7285 1.8955 1.8955 1.9712 1.9712 2.8720 2.8720 4.2365 4.2365 4.5975 4.5975 5.7529 5.7529 6.9341 6.9341 k = 0.1957-0.0000 0.4331 ( 8130 PWs) bands (ev): -9.2363 -9.2363 -9.1200 -9.1200 -2.7682 -2.7682 -2.6971 -2.6971 -2.4680 -2.4680 -2.1868 -2.1868 -2.0929 -2.0929 -1.9603 -1.9603 -1.9037 -1.9037 -1.8376 -1.8376 -1.7028 -1.7028 -1.5071 -1.5071 -1.3938 -1.3938 -1.2902 -1.2902 -1.2135 -1.2135 -1.1508 -1.1508 -1.0858 -1.0858 -1.0175 -1.0175 -0.9743 -0.9743 -0.8367 -0.8367 -0.7833 -0.7833 -0.6930 -0.6930 -0.6345 -0.6345 -0.1849 -0.1849 0.4181 0.4181 0.6486 0.6486 1.7448 1.7448 1.9667 1.9667 1.9862 1.9862 2.8991 2.8991 4.1659 4.1659 4.5512 4.5512 5.8309 5.8309 6.8770 6.8770 k = 0.2174-0.0000 0.4331 ( 8118 PWs) bands (ev): -9.2328 -9.2328 -9.1224 -9.1224 -2.7597 -2.7597 -2.6957 -2.6957 -2.4638 -2.4638 -2.2026 -2.2026 -2.0886 -2.0886 -1.9672 -1.9672 -1.9087 -1.9087 -1.8413 -1.8413 -1.6953 -1.6953 -1.5094 -1.5094 -1.4028 -1.4028 -1.2980 -1.2980 -1.2077 -1.2077 -1.1517 -1.1517 -1.0861 -1.0861 -1.0089 -1.0089 -0.9765 -0.9765 -0.8377 -0.8377 -0.7906 -0.7906 -0.7016 -0.7016 -0.6496 -0.6496 -0.2326 -0.2326 0.4634 0.4634 0.6697 0.6697 1.7567 1.7567 1.9644 1.9644 2.0829 2.0829 2.9287 2.9287 4.0978 4.0978 4.5013 4.5013 5.9037 5.9037 6.8148 6.8148 k = 0.2391-0.0000 0.4331 ( 8124 PWs) bands (ev): -9.2290 -9.2290 -9.1249 -9.1249 -2.7511 -2.7511 -2.6941 -2.6941 -2.4590 -2.4590 -2.2184 -2.2184 -2.0840 -2.0840 -1.9740 -1.9740 -1.9141 -1.9141 -1.8460 -1.8460 -1.6880 -1.6880 -1.5122 -1.5122 -1.4115 -1.4115 -1.3063 -1.3063 -1.2021 -1.2021 -1.1521 -1.1521 -1.0868 -1.0868 -1.0010 -1.0010 -0.9771 -0.9771 -0.8394 -0.8394 -0.7966 -0.7966 -0.7117 -0.7117 -0.6620 -0.6620 -0.2809 -0.2809 0.5084 0.5084 0.6925 0.6925 1.7672 1.7672 1.9607 1.9607 2.1856 2.1856 2.9603 2.9603 4.0324 4.0324 4.4480 4.4480 5.9699 5.9699 6.7489 6.7489 k = 0.2609-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.2250 -9.2250 -9.1278 -9.1278 -2.7427 -2.7427 -2.6924 -2.6924 -2.4536 -2.4536 -2.2338 -2.2338 -2.0790 -2.0790 -1.9806 -1.9806 -1.9196 -1.9196 -1.8515 -1.8515 -1.6809 -1.6809 -1.5159 -1.5159 -1.4194 -1.4194 -1.3151 -1.3151 -1.1966 -1.1966 -1.1518 -1.1518 -1.0878 -1.0878 -0.9962 -0.9962 -0.9739 -0.9739 -0.8417 -0.8417 -0.8015 -0.8015 -0.7225 -0.7225 -0.6719 -0.6719 -0.3291 -0.3291 0.5526 0.5526 0.7161 0.7161 1.7772 1.7772 1.9565 1.9565 2.2916 2.2916 2.9937 2.9937 3.9700 3.9700 4.3917 4.3917 6.0282 6.0282 6.6806 6.6806 k = 0.2826-0.0000 0.4331 ( 8134 PWs) bands (ev): -9.2208 -9.2208 -9.1308 -9.1308 -2.7344 -2.7344 -2.6905 -2.6905 -2.4478 -2.4478 -2.2488 -2.2488 -2.0736 -2.0736 -1.9867 -1.9867 -1.9254 -1.9254 -1.8579 -1.8579 -1.6741 -1.6741 -1.5207 -1.5207 -1.4261 -1.4261 -1.3241 -1.3241 -1.1917 -1.1917 -1.1507 -1.1507 -1.0890 -1.0890 -0.9956 -0.9956 -0.9657 -0.9657 -0.8442 -0.8442 -0.8059 -0.8059 -0.7329 -0.7329 -0.6800 -0.6800 -0.3766 -0.3766 0.5952 0.5952 0.7397 0.7397 1.7870 1.7870 1.9519 1.9519 2.4000 2.4000 3.0284 3.0284 3.9109 3.9109 4.3325 4.3325 6.0775 6.0775 6.6116 6.6116 k = 0.3043-0.0000 0.4331 ( 8134 PWs) bands (ev): -9.2164 -9.2164 -9.1341 -9.1341 -2.7267 -2.7267 -2.6887 -2.6887 -2.4414 -2.4414 -2.2633 -2.2633 -2.0679 -2.0679 -1.9920 -1.9920 -1.9313 -1.9313 -1.8652 -1.8652 -1.6676 -1.6676 -1.5267 -1.5267 -1.4312 -1.4312 -1.3332 -1.3332 -1.1872 -1.1872 -1.1490 -1.1490 -1.0900 -1.0900 -0.9975 -0.9975 -0.9545 -0.9545 -0.8467 -0.8467 -0.8104 -0.8104 -0.7415 -0.7415 -0.6870 -0.6870 -0.4228 -0.4228 0.6359 0.6359 0.7626 0.7626 1.7967 1.7967 1.9468 1.9468 2.5097 2.5097 3.0640 3.0640 3.8550 3.8550 4.2704 4.2704 6.1170 6.1170 6.5435 6.5435 k = 0.3261-0.0000 0.4331 ( 8138 PWs) bands (ev): -9.2118 -9.2118 -9.1376 -9.1376 -2.7195 -2.7195 -2.6869 -2.6869 -2.4345 -2.4345 -2.2772 -2.2772 -2.0619 -2.0619 -1.9963 -1.9963 -1.9374 -1.9374 -1.8733 -1.8733 -1.6612 -1.6612 -1.5340 -1.5340 -1.4344 -1.4344 -1.3424 -1.3424 -1.1834 -1.1834 -1.1470 -1.1470 -1.0906 -1.0906 -1.0004 -1.0004 -0.9419 -0.9419 -0.8487 -0.8487 -0.8156 -0.8156 -0.7476 -0.7476 -0.6934 -0.6934 -0.4672 -0.4672 0.6741 0.6741 0.7841 0.7841 1.8065 1.8065 1.9414 1.9414 2.6200 2.6200 3.1002 3.1002 3.8026 3.8026 4.2055 4.2055 6.1466 6.1466 6.4779 6.4779 k = 0.3478-0.0000 0.4331 ( 8136 PWs) bands (ev): -9.2070 -9.2070 -9.1414 -9.1414 -2.7130 -2.7130 -2.6852 -2.6852 -2.4271 -2.4271 -2.2904 -2.2904 -2.0556 -2.0556 -1.9994 -1.9994 -1.9434 -1.9434 -1.8822 -1.8822 -1.6548 -1.6548 -1.5424 -1.5424 -1.4358 -1.4358 -1.3516 -1.3516 -1.1801 -1.1801 -1.1452 -1.1452 -1.0900 -1.0900 -1.0041 -1.0041 -0.9285 -0.9285 -0.8498 -0.8498 -0.8215 -0.8215 -0.7512 -0.7512 -0.6996 -0.6996 -0.5096 -0.5096 0.7095 0.7095 0.8038 0.8038 1.8164 1.8164 1.9354 1.9354 2.7300 2.7300 3.1363 3.1363 3.7539 3.7539 4.1377 4.1377 6.1666 6.1666 6.4164 6.4164 k = 0.3696-0.0000 0.4331 ( 8130 PWs) bands (ev): -9.2022 -9.2022 -9.1453 -9.1453 -2.7072 -2.7072 -2.6837 -2.6837 -2.4193 -2.4193 -2.3030 -2.3030 -2.0491 -2.0491 -2.0013 -2.0013 -1.9494 -1.9494 -1.8919 -1.8919 -1.6486 -1.6486 -1.5516 -1.5516 -1.4355 -1.4355 -1.3606 -1.3606 -1.1770 -1.1770 -1.1442 -1.1442 -1.0879 -1.0879 -1.0083 -1.0083 -0.9147 -0.9147 -0.8497 -0.8497 -0.8279 -0.8279 -0.7527 -0.7527 -0.7056 -0.7056 -0.5495 -0.5495 0.7416 0.7416 0.8211 0.8211 1.8262 1.8262 1.9291 1.9291 2.8389 2.8389 3.1720 3.1720 3.7091 3.7091 4.0672 4.0672 6.1781 6.1781 6.3605 6.3605 k = 0.3913-0.0000 0.4331 ( 8120 PWs) bands (ev): -9.1973 -9.1973 -9.1494 -9.1494 -2.7020 -2.7020 -2.6826 -2.6826 -2.4111 -2.4111 -2.3150 -2.3150 -2.0424 -2.0424 -2.0019 -2.0019 -1.9548 -1.9548 -1.9022 -1.9022 -1.6422 -1.6422 -1.5613 -1.5613 -1.4336 -1.4336 -1.3695 -1.3695 -1.1742 -1.1742 -1.1445 -1.1445 -1.0839 -1.0839 -1.0132 -1.0132 -0.9011 -0.9011 -0.8477 -0.8477 -0.8344 -0.8344 -0.7528 -0.7528 -0.7114 -0.7114 -0.5866 -0.5866 0.7703 0.7703 0.8356 0.8356 1.8360 1.8360 1.9223 1.9223 2.9453 2.9453 3.2066 3.2066 3.6686 3.6686 3.9939 3.9939 6.1829 6.1829 6.3112 6.3112 k = 0.4130-0.0000 0.4331 ( 8128 PWs) bands (ev): -9.1923 -9.1923 -9.1537 -9.1537 -2.6975 -2.6975 -2.6819 -2.6819 -2.4027 -2.4027 -2.3263 -2.3263 -2.0356 -2.0356 -2.0018 -2.0018 -1.9595 -1.9595 -1.9129 -1.9129 -1.6358 -1.6358 -1.5710 -1.5710 -1.4305 -1.4305 -1.3781 -1.3781 -1.1714 -1.1714 -1.1460 -1.1460 -1.0782 -1.0782 -1.0188 -1.0188 -0.8887 -0.8887 -0.8430 -0.8430 -0.8406 -0.8406 -0.7529 -0.7529 -0.7165 -0.7165 -0.6203 -0.6203 0.7953 0.7953 0.8469 0.8469 1.8457 1.8457 1.9151 1.9151 3.0475 3.0475 3.2395 3.2395 3.6335 3.6335 3.9181 3.9181 6.1830 6.1830 6.2696 6.2696 k = 0.4348-0.0000 0.4331 ( 8126 PWs) bands (ev): -9.1873 -9.1873 -9.1582 -9.1582 -2.6936 -2.6936 -2.6818 -2.6818 -2.3940 -2.3940 -2.3371 -2.3371 -2.0287 -2.0287 -2.0017 -2.0017 -1.9623 -1.9623 -1.9238 -1.9238 -1.6291 -1.6291 -1.5806 -1.5806 -1.4263 -1.4263 -1.3864 -1.3864 -1.1684 -1.1684 -1.1485 -1.1485 -1.0713 -1.0713 -1.0250 -1.0250 -0.8788 -0.8788 -0.8467 -0.8467 -0.8339 -0.8339 -0.7548 -0.7548 -0.7198 -0.7198 -0.6499 -0.6499 0.8163 0.8163 0.8546 0.8546 1.8552 1.8552 1.9076 1.9076 3.1424 3.1424 3.2696 3.2696 3.6059 3.6059 3.8408 3.8408 6.1807 6.1807 6.2360 6.2360 k = 0.4565-0.0000 0.4331 ( 8120 PWs) bands (ev): -9.1823 -9.1823 -9.1628 -9.1628 -2.6902 -2.6902 -2.6823 -2.6823 -2.3851 -2.3851 -2.3473 -2.3473 -2.0220 -2.0220 -2.0026 -2.0026 -1.9625 -1.9625 -1.9344 -1.9344 -1.6221 -1.6221 -1.5898 -1.5898 -1.4213 -1.4213 -1.3943 -1.3943 -1.1652 -1.1652 -1.1516 -1.1516 -1.0635 -1.0635 -1.0319 -1.0319 -0.8717 -0.8717 -0.8521 -0.8521 -0.8207 -0.8207 -0.7611 -0.7611 -0.7196 -0.7196 -0.6744 -0.6744 0.8332 0.8332 0.8586 0.8586 1.8646 1.8646 1.8996 1.8996 3.2244 3.2244 3.2950 3.2950 3.5907 3.5907 3.7638 3.7638 6.1785 6.1785 6.2107 6.2107 k = 0.4783-0.0000 0.4331 ( 8124 PWs) bands (ev): -9.1773 -9.1773 -9.1675 -9.1675 -2.6874 -2.6874 -2.6834 -2.6834 -2.3761 -2.3761 -2.3572 -2.3572 -2.0156 -2.0156 -2.0054 -2.0054 -1.9592 -1.9592 -1.9443 -1.9443 -1.6147 -1.6147 -1.5986 -1.5986 -1.4154 -1.4154 -1.4019 -1.4019 -1.1619 -1.1619 -1.1550 -1.1550 -1.0554 -1.0554 -1.0394 -1.0394 -0.8664 -0.8664 -0.8570 -0.8570 -0.8047 -0.8047 -0.7726 -0.7726 -0.7151 -0.7151 -0.6933 -0.6933 0.8459 0.8459 0.8585 0.8585 1.8738 1.8738 1.8913 1.8913 3.2837 3.2837 3.3116 3.3116 3.5965 3.5965 3.6912 3.6912 6.1786 6.1786 6.1933 6.1933 k = 0.5000-0.0000 0.4331 ( 8132 PWs) bands (ev): -9.1724 -9.1724 -9.1724 -9.1724 -2.6852 -2.6852 -2.6852 -2.6852 -2.3668 -2.3668 -2.3668 -2.3668 -2.0099 -2.0099 -2.0099 -2.0099 -1.9528 -1.9528 -1.9528 -1.9528 -1.6069 -1.6069 -1.6069 -1.6069 -1.4089 -1.4089 -1.4089 -1.4089 -1.1585 -1.1585 -1.1585 -1.1585 -1.0473 -1.0473 -1.0473 -1.0473 -0.8617 -0.8617 -0.8617 -0.8617 -0.7879 -0.7879 -0.7879 -0.7879 -0.7065 -0.7065 -0.7065 -0.7065 0.8543 0.8543 0.8543 0.8543 1.8827 1.8827 1.8827 1.8827 3.3116 3.3116 3.3116 3.3116 3.6315 3.6315 3.6315 3.6315 6.1830 6.1830 6.1830 6.1830 Writing output data file Ag2S.save init_run : 23.63s CPU 32.61s WALL ( 1 calls) electrons : 868.93s CPU 879.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 868.91s CPU 879.39s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.94s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.64s WALL ( 1 calls) newd : 0.76s CPU 0.87s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.13s WALL ( 236 calls) cegterg : 760.49s CPU 767.02s WALL ( 345 calls) Called by sum_band: Called by *egterg: h_psi : 410.20s CPU 415.63s WALL ( 5748 calls) s_psi : 45.24s CPU 45.43s WALL ( 5748 calls) g_psi : 0.90s CPU 0.97s WALL ( 5167 calls) cdiaghg : 212.97s CPU 211.90s WALL ( 5403 calls) cegterg:over : 68.80s CPU 67.75s WALL ( 5167 calls) cegterg:upda : 22.70s CPU 24.16s WALL ( 5167 calls) cegterg:last : 18.72s CPU 19.12s WALL ( 1053 calls) Called by h_psi: h_psi:vloc : 326.61s CPU 329.98s WALL ( 5748 calls) h_psi:vnl : 83.18s CPU 84.72s WALL ( 5748 calls) add_vuspsi : 34.18s CPU 36.08s WALL ( 5748 calls) General routines calbec : 48.96s CPU 48.56s WALL ( 5748 calls) fft : 0.52s CPU 1.52s WALL ( 15 calls) fftw : 316.20s CPU 318.29s WALL ( 927432 calls) davcio : 0.05s CPU 4.33s WALL ( 472 calls) Parallel routines fft_scatter : 215.07s CPU 213.44s WALL ( 927447 calls) PWSCF : 16m24.49s CPU 21m13.15s WALL This run was terminated on: 13:57:44 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=