Program PWSCF v.5.1.1 starts on 26Aug2015 at 7:23:10 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: ./InSb.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 17 5 606 332 55 Max 28 18 6 608 346 58 Sum 1261 847 253 29123 16361 2685 bravais-lattice index = 14 lattice parameter (alat) = 8.6535 a.u. unit-cell volume = 458.2021 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.653478 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Sb 5.00 121.76000 Sb( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 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 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 0.0000000 0.0816327), wk = 0.0030488 k( 10) = ( 0.0918367 0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 0.0000000 0.3061225), wk = 0.0030488 k( 32) = ( 0.3163265 0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441861), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 29123 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 90, 26) NL pseudopotentials 0.05 Mb ( 45, 68) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 607) G-vector shells 0.00 Mb ( 226) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 90, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./InSb.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.1 secs Computing kpt #: 3 total cpu time spent up to now is 41.4 secs Computing kpt #: 4 total cpu time spent up to now is 41.8 secs Computing kpt #: 5 total cpu time spent up to now is 42.1 secs Computing kpt #: 6 total cpu time spent up to now is 42.4 secs Computing kpt #: 7 total cpu time spent up to now is 42.6 secs Computing kpt #: 8 total cpu time spent up to now is 42.9 secs Computing kpt #: 9 total cpu time spent up to now is 43.2 secs Computing kpt #: 10 total cpu time spent up to now is 43.5 secs Computing kpt #: 11 total cpu time spent up to now is 43.8 secs Computing kpt #: 12 total cpu time spent up to now is 44.1 secs Computing kpt #: 13 total cpu time spent up to now is 44.4 secs Computing kpt #: 14 total cpu time spent up to now is 44.7 secs Computing kpt #: 15 total cpu time spent up to now is 45.0 secs Computing kpt #: 16 total cpu time spent up to now is 45.3 secs Computing kpt #: 17 total cpu time spent up to now is 45.6 secs Computing kpt #: 18 total cpu time spent up to now is 45.9 secs Computing kpt #: 19 total cpu time spent up to now is 46.3 secs Computing kpt #: 20 total cpu time spent up to now is 46.6 secs Computing kpt #: 21 total cpu time spent up to now is 46.9 secs Computing kpt #: 22 total cpu time spent up to now is 47.3 secs Computing kpt #: 23 total cpu time spent up to now is 47.6 secs Computing kpt #: 24 total cpu time spent up to now is 47.9 secs Computing kpt #: 25 total cpu time spent up to now is 48.3 secs Computing kpt #: 26 total cpu time spent up to now is 48.7 secs Computing kpt #: 27 total cpu time spent up to now is 49.0 secs Computing kpt #: 28 total cpu time spent up to now is 49.4 secs Computing kpt #: 29 total cpu time spent up to now is 49.8 secs Computing kpt #: 30 total cpu time spent up to now is 50.2 secs Computing kpt #: 31 total cpu time spent up to now is 50.5 secs Computing kpt #: 32 total cpu time spent up to now is 50.9 secs Computing kpt #: 33 total cpu time spent up to now is 51.3 secs Computing kpt #: 34 total cpu time spent up to now is 51.6 secs Computing kpt #: 35 total cpu time spent up to now is 52.0 secs Computing kpt #: 36 total cpu time spent up to now is 52.4 secs Computing kpt #: 37 total cpu time spent up to now is 52.7 secs Computing kpt #: 38 total cpu time spent up to now is 53.1 secs Computing kpt #: 39 total cpu time spent up to now is 53.5 secs Computing kpt #: 40 total cpu time spent up to now is 53.8 secs Computing kpt #: 41 total cpu time spent up to now is 54.2 secs Computing kpt #: 42 total cpu time spent up to now is 54.6 secs Computing kpt #: 43 total cpu time spent up to now is 55.0 secs Computing kpt #: 44 total cpu time spent up to now is 55.3 secs Computing kpt #: 45 total cpu time spent up to now is 55.7 secs Computing kpt #: 46 total cpu time spent up to now is 56.5 secs Computing kpt #: 47 total cpu time spent up to now is 56.9 secs Computing kpt #: 48 total cpu time spent up to now is 57.8 secs Computing kpt #: 49 total cpu time spent up to now is 58.2 secs Computing kpt #: 50 total cpu time spent up to now is 59.0 secs Computing kpt #: 51 total cpu time spent up to now is 59.4 secs Computing kpt #: 52 total cpu time spent up to now is 59.8 secs Computing kpt #: 53 total cpu time spent up to now is 60.6 secs Computing kpt #: 54 total cpu time spent up to now is 61.1 secs Computing kpt #: 55 total cpu time spent up to now is 61.6 secs Computing kpt #: 56 total cpu time spent up to now is 62.1 secs Computing kpt #: 57 total cpu time spent up to now is 62.7 secs Computing kpt #: 58 total cpu time spent up to now is 63.3 secs Computing kpt #: 59 total cpu time spent up to now is 63.7 secs Computing kpt #: 60 total cpu time spent up to now is 64.3 secs Computing kpt #: 61 total cpu time spent up to now is 64.8 secs Computing kpt #: 62 total cpu time spent up to now is 65.3 secs Computing kpt #: 63 total cpu time spent up to now is 65.7 secs Computing kpt #: 64 total cpu time spent up to now is 66.0 secs Computing kpt #: 65 total cpu time spent up to now is 66.4 secs Computing kpt #: 66 total cpu time spent up to now is 66.7 secs Computing kpt #: 67 total cpu time spent up to now is 67.0 secs Computing kpt #: 68 total cpu time spent up to now is 67.4 secs Computing kpt #: 69 total cpu time spent up to now is 67.7 secs Computing kpt #: 70 total cpu time spent up to now is 68.1 secs Computing kpt #: 71 total cpu time spent up to now is 68.6 secs Computing kpt #: 72 total cpu time spent up to now is 68.9 secs Computing kpt #: 73 total cpu time spent up to now is 69.5 secs Computing kpt #: 74 total cpu time spent up to now is 69.9 secs Computing kpt #: 75 total cpu time spent up to now is 70.2 secs Computing kpt #: 76 total cpu time spent up to now is 70.5 secs Computing kpt #: 77 total cpu time spent up to now is 70.9 secs Computing kpt #: 78 total cpu time spent up to now is 71.3 secs Computing kpt #: 79 total cpu time spent up to now is 71.7 secs Computing kpt #: 80 total cpu time spent up to now is 72.0 secs Computing kpt #: 81 total cpu time spent up to now is 72.4 secs Computing kpt #: 82 total cpu time spent up to now is 72.8 secs Computing kpt #: 83 total cpu time spent up to now is 73.2 secs Computing kpt #: 84 total cpu time spent up to now is 73.6 secs Computing kpt #: 85 total cpu time spent up to now is 74.2 secs Computing kpt #: 86 total cpu time spent up to now is 74.9 secs Computing kpt #: 87 total cpu time spent up to now is 75.4 secs Computing kpt #: 88 total cpu time spent up to now is 75.8 secs Computing kpt #: 89 total cpu time spent up to now is 76.1 secs Computing kpt #: 90 total cpu time spent up to now is 76.6 secs Computing kpt #: 91 total cpu time spent up to now is 77.0 secs Computing kpt #: 92 total cpu time spent up to now is 77.4 secs Computing kpt #: 93 total cpu time spent up to now is 77.8 secs Computing kpt #: 94 total cpu time spent up to now is 78.2 secs Computing kpt #: 95 total cpu time spent up to now is 78.6 secs Computing kpt #: 96 total cpu time spent up to now is 79.0 secs Computing kpt #: 97 total cpu time spent up to now is 79.5 secs Computing kpt #: 98 total cpu time spent up to now is 79.9 secs Computing kpt #: 99 total cpu time spent up to now is 80.5 secs Computing kpt #: 100 total cpu time spent up to now is 81.1 secs Computing kpt #: 101 total cpu time spent up to now is 81.7 secs Computing kpt #: 102 total cpu time spent up to now is 82.1 secs Computing kpt #: 103 total cpu time spent up to now is 83.1 secs Computing kpt #: 104 total cpu time spent up to now is 84.1 secs Computing kpt #: 105 total cpu time spent up to now is 84.4 secs Computing kpt #: 106 total cpu time spent up to now is 84.9 secs Computing kpt #: 107 total cpu time spent up to now is 85.3 secs Computing kpt #: 108 total cpu time spent up to now is 85.9 secs Computing kpt #: 109 total cpu time spent up to now is 86.2 secs Computing kpt #: 110 total cpu time spent up to now is 87.0 secs Computing kpt #: 111 total cpu time spent up to now is 87.4 secs Computing kpt #: 112 total cpu time spent up to now is 87.9 secs Computing kpt #: 113 total cpu time spent up to now is 88.7 secs Computing kpt #: 114 total cpu time spent up to now is 89.3 secs Computing kpt #: 115 total cpu time spent up to now is 90.0 secs Computing kpt #: 116 total cpu time spent up to now is 90.3 secs Computing kpt #: 117 total cpu time spent up to now is 90.6 secs Computing kpt #: 118 total cpu time spent up to now is 91.5 secs Computing kpt #: 119 total cpu time spent up to now is 91.8 secs Computing kpt #: 120 total cpu time spent up to now is 92.1 secs Computing kpt #: 121 total cpu time spent up to now is 93.1 secs Computing kpt #: 122 total cpu time spent up to now is 93.6 secs Computing kpt #: 123 total cpu time spent up to now is 94.2 secs Computing kpt #: 124 total cpu time spent up to now is 95.1 secs Computing kpt #: 125 total cpu time spent up to now is 95.5 secs Computing kpt #: 126 total cpu time spent up to now is 95.9 secs Computing kpt #: 127 total cpu time spent up to now is 96.4 secs Computing kpt #: 128 total cpu time spent up to now is 97.1 secs Computing kpt #: 129 total cpu time spent up to now is 97.5 secs Computing kpt #: 130 total cpu time spent up to now is 98.1 secs Computing kpt #: 131 total cpu time spent up to now is 98.6 secs Computing kpt #: 132 total cpu time spent up to now is 99.1 secs Computing kpt #: 133 total cpu time spent up to now is 99.7 secs Computing kpt #: 134 total cpu time spent up to now is 100.3 secs Computing kpt #: 135 total cpu time spent up to now is 100.9 secs Computing kpt #: 136 total cpu time spent up to now is 101.3 secs Computing kpt #: 137 total cpu time spent up to now is 101.9 secs Computing kpt #: 138 total cpu time spent up to now is 102.4 secs Computing kpt #: 139 total cpu time spent up to now is 102.8 secs Computing kpt #: 140 total cpu time spent up to now is 103.8 secs Computing kpt #: 141 total cpu time spent up to now is 104.7 secs Computing kpt #: 142 total cpu time spent up to now is 105.1 secs Computing kpt #: 143 total cpu time spent up to now is 105.4 secs Computing kpt #: 144 total cpu time spent up to now is 105.7 secs Computing kpt #: 145 total cpu time spent up to now is 106.0 secs Computing kpt #: 146 total cpu time spent up to now is 106.2 secs Computing kpt #: 147 total cpu time spent up to now is 106.5 secs Computing kpt #: 148 total cpu time spent up to now is 106.8 secs Computing kpt #: 149 total cpu time spent up to now is 107.1 secs Computing kpt #: 150 total cpu time spent up to now is 107.4 secs Computing kpt #: 151 total cpu time spent up to now is 107.8 secs Computing kpt #: 152 total cpu time spent up to now is 108.1 secs Computing kpt #: 153 total cpu time spent up to now is 108.6 secs Computing kpt #: 154 total cpu time spent up to now is 108.9 secs Computing kpt #: 155 total cpu time spent up to now is 109.3 secs Computing kpt #: 156 total cpu time spent up to now is 109.7 secs Computing kpt #: 157 total cpu time spent up to now is 110.1 secs Computing kpt #: 158 total cpu time spent up to now is 110.4 secs Computing kpt #: 159 total cpu time spent up to now is 110.9 secs Computing kpt #: 160 total cpu time spent up to now is 111.4 secs Computing kpt #: 161 total cpu time spent up to now is 111.8 secs Computing kpt #: 162 total cpu time spent up to now is 112.2 secs Computing kpt #: 163 total cpu time spent up to now is 112.7 secs Computing kpt #: 164 total cpu time spent up to now is 113.0 secs Computing kpt #: 165 total cpu time spent up to now is 113.4 secs Computing kpt #: 166 total cpu time spent up to now is 113.8 secs Computing kpt #: 167 total cpu time spent up to now is 114.2 secs Computing kpt #: 168 total cpu time spent up to now is 114.5 secs Computing kpt #: 169 total cpu time spent up to now is 114.9 secs Computing kpt #: 170 total cpu time spent up to now is 115.6 secs Computing kpt #: 171 total cpu time spent up to now is 116.0 secs Computing kpt #: 172 total cpu time spent up to now is 116.3 secs Computing kpt #: 173 total cpu time spent up to now is 116.6 secs Computing kpt #: 174 total cpu time spent up to now is 117.0 secs Computing kpt #: 175 total cpu time spent up to now is 117.3 secs Computing kpt #: 176 total cpu time spent up to now is 117.7 secs Computing kpt #: 177 total cpu time spent up to now is 118.0 secs Computing kpt #: 178 total cpu time spent up to now is 118.4 secs Computing kpt #: 179 total cpu time spent up to now is 118.8 secs Computing kpt #: 180 total cpu time spent up to now is 119.2 secs Computing kpt #: 181 total cpu time spent up to now is 119.6 secs Computing kpt #: 182 total cpu time spent up to now is 120.2 secs Computing kpt #: 183 total cpu time spent up to now is 120.6 secs Computing kpt #: 184 total cpu time spent up to now is 121.0 secs Computing kpt #: 185 total cpu time spent up to now is 121.6 secs Computing kpt #: 186 total cpu time spent up to now is 121.9 secs Computing kpt #: 187 total cpu time spent up to now is 122.5 secs Computing kpt #: 188 total cpu time spent up to now is 122.9 secs Computing kpt #: 189 total cpu time spent up to now is 123.3 secs Computing kpt #: 190 total cpu time spent up to now is 124.0 secs Computing kpt #: 191 total cpu time spent up to now is 124.5 secs Computing kpt #: 192 total cpu time spent up to now is 125.0 secs Computing kpt #: 193 total cpu time spent up to now is 125.4 secs Computing kpt #: 194 total cpu time spent up to now is 125.8 secs Computing kpt #: 195 total cpu time spent up to now is 126.6 secs Computing kpt #: 196 total cpu time spent up to now is 127.2 secs Computing kpt #: 197 total cpu time spent up to now is 127.7 secs Computing kpt #: 198 total cpu time spent up to now is 128.1 secs Computing kpt #: 199 total cpu time spent up to now is 128.4 secs Computing kpt #: 200 total cpu time spent up to now is 128.8 secs Computing kpt #: 201 total cpu time spent up to now is 129.2 secs Computing kpt #: 202 total cpu time spent up to now is 129.6 secs Computing kpt #: 203 total cpu time spent up to now is 130.0 secs Computing kpt #: 204 total cpu time spent up to now is 130.4 secs Computing kpt #: 205 total cpu time spent up to now is 130.7 secs Computing kpt #: 206 total cpu time spent up to now is 131.1 secs Computing kpt #: 207 total cpu time spent up to now is 131.5 secs Computing kpt #: 208 total cpu time spent up to now is 131.9 secs Computing kpt #: 209 total cpu time spent up to now is 132.4 secs Computing kpt #: 210 total cpu time spent up to now is 132.9 secs Computing kpt #: 211 total cpu time spent up to now is 133.4 secs Computing kpt #: 212 total cpu time spent up to now is 134.0 secs Computing kpt #: 213 total cpu time spent up to now is 134.6 secs Computing kpt #: 214 total cpu time spent up to now is 135.1 secs Computing kpt #: 215 total cpu time spent up to now is 136.1 secs Computing kpt #: 216 total cpu time spent up to now is 136.6 secs Computing kpt #: 217 total cpu time spent up to now is 137.0 secs Computing kpt #: 218 total cpu time spent up to now is 137.4 secs Computing kpt #: 219 total cpu time spent up to now is 137.8 secs Computing kpt #: 220 total cpu time spent up to now is 138.2 secs Computing kpt #: 221 total cpu time spent up to now is 138.6 secs Computing kpt #: 222 total cpu time spent up to now is 138.9 secs Computing kpt #: 223 total cpu time spent up to now is 139.5 secs Computing kpt #: 224 total cpu time spent up to now is 139.9 secs Computing kpt #: 225 total cpu time spent up to now is 140.6 secs Computing kpt #: 226 total cpu time spent up to now is 141.2 secs Computing kpt #: 227 total cpu time spent up to now is 141.8 secs Computing kpt #: 228 total cpu time spent up to now is 142.8 secs Computing kpt #: 229 total cpu time spent up to now is 143.7 secs Computing kpt #: 230 total cpu time spent up to now is 145.3 secs Computing kpt #: 231 total cpu time spent up to now is 146.0 secs Computing kpt #: 232 total cpu time spent up to now is 147.3 secs Computing kpt #: 233 total cpu time spent up to now is 147.7 secs Computing kpt #: 234 total cpu time spent up to now is 148.0 secs Computing kpt #: 235 total cpu time spent up to now is 148.3 secs Computing kpt #: 236 total cpu time spent up to now is 148.7 secs Computing kpt #: 237 total cpu time spent up to now is 149.0 secs Computing kpt #: 238 total cpu time spent up to now is 149.3 secs Computing kpt #: 239 total cpu time spent up to now is 149.7 secs Computing kpt #: 240 total cpu time spent up to now is 150.0 secs Computing kpt #: 241 total cpu time spent up to now is 151.0 secs Computing kpt #: 242 total cpu time spent up to now is 151.5 secs Computing kpt #: 243 total cpu time spent up to now is 152.5 secs Computing kpt #: 244 total cpu time spent up to now is 153.3 secs Computing kpt #: 245 total cpu time spent up to now is 153.8 secs Computing kpt #: 246 total cpu time spent up to now is 154.2 secs Computing kpt #: 247 total cpu time spent up to now is 154.9 secs Computing kpt #: 248 total cpu time spent up to now is 155.4 secs Computing kpt #: 249 total cpu time spent up to now is 155.7 secs Computing kpt #: 250 total cpu time spent up to now is 156.1 secs Computing kpt #: 251 total cpu time spent up to now is 156.5 secs Computing kpt #: 252 total cpu time spent up to now is 156.9 secs Computing kpt #: 253 total cpu time spent up to now is 157.3 secs Computing kpt #: 254 total cpu time spent up to now is 157.7 secs Computing kpt #: 255 total cpu time spent up to now is 158.1 secs Computing kpt #: 256 total cpu time spent up to now is 158.5 secs Computing kpt #: 257 total cpu time spent up to now is 158.8 secs Computing kpt #: 258 total cpu time spent up to now is 159.2 secs Computing kpt #: 259 total cpu time spent up to now is 159.6 secs Computing kpt #: 260 total cpu time spent up to now is 160.9 secs Computing kpt #: 261 total cpu time spent up to now is 161.3 secs Computing kpt #: 262 total cpu time spent up to now is 161.7 secs Computing kpt #: 263 total cpu time spent up to now is 162.2 secs Computing kpt #: 264 total cpu time spent up to now is 162.6 secs Computing kpt #: 265 total cpu time spent up to now is 163.3 secs Computing kpt #: 266 total cpu time spent up to now is 163.9 secs Computing kpt #: 267 total cpu time spent up to now is 165.0 secs Computing kpt #: 268 total cpu time spent up to now is 165.7 secs Computing kpt #: 269 total cpu time spent up to now is 166.1 secs Computing kpt #: 270 total cpu time spent up to now is 166.7 secs Computing kpt #: 271 total cpu time spent up to now is 167.1 secs Computing kpt #: 272 total cpu time spent up to now is 167.6 secs Computing kpt #: 273 total cpu time spent up to now is 168.4 secs Computing kpt #: 274 total cpu time spent up to now is 169.0 secs Computing kpt #: 275 total cpu time spent up to now is 169.4 secs Computing kpt #: 276 total cpu time spent up to now is 169.8 secs Computing kpt #: 277 total cpu time spent up to now is 170.2 secs Computing kpt #: 278 total cpu time spent up to now is 170.5 secs Computing kpt #: 279 total cpu time spent up to now is 171.2 secs Computing kpt #: 280 total cpu time spent up to now is 171.6 secs Computing kpt #: 281 total cpu time spent up to now is 172.5 secs Computing kpt #: 282 total cpu time spent up to now is 172.9 secs Computing kpt #: 283 total cpu time spent up to now is 173.4 secs Computing kpt #: 284 total cpu time spent up to now is 173.9 secs Computing kpt #: 285 total cpu time spent up to now is 174.3 secs Computing kpt #: 286 total cpu time spent up to now is 174.8 secs Computing kpt #: 287 total cpu time spent up to now is 175.2 secs Computing kpt #: 288 total cpu time spent up to now is 175.6 secs Computing kpt #: 289 total cpu time spent up to now is 176.0 secs Computing kpt #: 290 total cpu time spent up to now is 176.4 secs Computing kpt #: 291 total cpu time spent up to now is 176.7 secs Computing kpt #: 292 total cpu time spent up to now is 177.1 secs Computing kpt #: 293 total cpu time spent up to now is 177.5 secs Computing kpt #: 294 total cpu time spent up to now is 177.9 secs Computing kpt #: 295 total cpu time spent up to now is 178.2 secs Computing kpt #: 296 total cpu time spent up to now is 178.6 secs Computing kpt #: 297 total cpu time spent up to now is 179.0 secs Computing kpt #: 298 total cpu time spent up to now is 179.3 secs Computing kpt #: 299 total cpu time spent up to now is 179.7 secs Computing kpt #: 300 total cpu time spent up to now is 180.0 secs Computing kpt #: 301 total cpu time spent up to now is 180.4 secs Computing kpt #: 302 total cpu time spent up to now is 180.8 secs Computing kpt #: 303 total cpu time spent up to now is 181.2 secs Computing kpt #: 304 total cpu time spent up to now is 181.9 secs Computing kpt #: 305 total cpu time spent up to now is 182.8 secs Computing kpt #: 306 total cpu time spent up to now is 183.2 secs Computing kpt #: 307 total cpu time spent up to now is 184.5 secs Computing kpt #: 308 total cpu time spent up to now is 185.3 secs Computing kpt #: 309 total cpu time spent up to now is 185.8 secs Computing kpt #: 310 total cpu time spent up to now is 186.9 secs Computing kpt #: 311 total cpu time spent up to now is 187.3 secs Computing kpt #: 312 total cpu time spent up to now is 188.0 secs Computing kpt #: 313 total cpu time spent up to now is 188.4 secs Computing kpt #: 314 total cpu time spent up to now is 188.7 secs Computing kpt #: 315 total cpu time spent up to now is 189.1 secs Computing kpt #: 316 total cpu time spent up to now is 189.5 secs Computing kpt #: 317 total cpu time spent up to now is 189.9 secs Computing kpt #: 318 total cpu time spent up to now is 190.3 secs Computing kpt #: 319 total cpu time spent up to now is 190.7 secs Computing kpt #: 320 total cpu time spent up to now is 191.0 secs Computing kpt #: 321 total cpu time spent up to now is 191.6 secs Computing kpt #: 322 total cpu time spent up to now is 192.2 secs Computing kpt #: 323 total cpu time spent up to now is 193.6 secs Computing kpt #: 324 total cpu time spent up to now is 194.3 secs Computing kpt #: 325 total cpu time spent up to now is 194.6 secs Computing kpt #: 326 total cpu time spent up to now is 195.0 secs Computing kpt #: 327 total cpu time spent up to now is 195.4 secs Computing kpt #: 328 total cpu time spent up to now is 195.8 secs ethr = 5.56E-11, avg # of iterations = 20.1 total cpu time spent up to now is 195.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -9.0905 -9.0905 -9.0905 -9.0905 -8.2817 -8.2817 -8.2223 -8.2223 -8.2223 -8.2223 -4.7304 -4.7304 5.4826 5.4826 5.8222 5.8222 6.2323 6.2323 6.2323 6.2323 8.6545 8.6545 9.0829 9.0829 9.0829 9.0829 k = 0.0102-0.0059 0.0083 ( 2085 PWs) bands (ev): -9.0907 -9.0907 -9.0904 -9.0904 -8.2817 -8.2817 -8.2225 -8.2225 -8.2221 -8.2221 -4.7291 -4.7291 5.4596 5.4596 5.8065 5.8065 6.2263 6.2263 6.2663 6.2663 8.6584 8.6584 9.0816 9.0816 9.0887 9.0887 k = 0.0204-0.0118 0.0167 ( 2061 PWs) bands (ev): -9.0909 -9.0909 -9.0902 -9.0902 -8.2817 -8.2817 -8.2227 -8.2227 -8.2219 -8.2219 -4.7253 -4.7253 5.3945 5.3945 5.7726 5.7726 6.2085 6.2085 6.3513 6.3513 8.6691 8.6691 9.0787 9.0787 9.1060 9.1060 k = 0.0306-0.0177 0.0250 ( 2045 PWs) bands (ev): -9.0911 -9.0911 -9.0900 -9.0900 -8.2817 -8.2817 -8.2229 -8.2229 -8.2217 -8.2217 -4.7189 -4.7189 5.2979 5.2979 5.7350 5.7350 6.1797 6.1797 6.4624 6.4624 8.6832 8.6832 9.0775 9.0775 9.1345 9.1345 k = 0.0408-0.0236 0.0333 ( 2045 PWs) bands (ev): -9.0913 -9.0913 -9.0898 -9.0898 -8.2817 -8.2817 -8.2231 -8.2231 -8.2215 -8.2215 -4.7100 -4.7100 5.1815 5.1815 5.6959 5.6959 6.1407 6.1407 6.5860 6.5860 8.6950 8.6950 9.0835 9.0835 9.1738 9.1738 k = 0.0510-0.0295 0.0417 ( 2037 PWs) bands (ev): -9.0915 -9.0915 -9.0896 -9.0896 -8.2817 -8.2817 -8.2233 -8.2233 -8.2214 -8.2214 -4.6985 -4.6985 5.0535 5.0535 5.6539 5.6539 6.0928 6.0928 6.7154 6.7154 8.6978 8.6978 9.1036 9.1036 9.2232 9.2232 k = 0.0612-0.0353 0.0500 ( 2037 PWs) bands (ev): -9.0918 -9.0918 -9.0893 -9.0893 -8.2817 -8.2817 -8.2235 -8.2235 -8.2212 -8.2212 -4.6845 -4.6845 4.9188 4.9188 5.6081 5.6081 6.0372 6.0372 6.8472 6.8472 8.6869 8.6869 9.1424 9.1424 9.2821 9.2821 k = 0.0714-0.0412 0.0583 ( 2037 PWs) bands (ev): -9.0921 -9.0921 -9.0891 -9.0891 -8.2817 -8.2817 -8.2237 -8.2237 -8.2211 -8.2211 -4.6680 -4.6680 4.7801 4.7801 5.5582 5.5582 5.9752 5.9752 6.9792 6.9792 8.6620 8.6620 9.2001 9.2001 9.3499 9.3499 k = 0.0816-0.0471 0.0667 ( 2033 PWs) bands (ev): -9.0924 -9.0924 -9.0888 -9.0888 -8.2818 -8.2818 -8.2239 -8.2239 -8.2210 -8.2210 -4.6490 -4.6490 4.6389 4.6389 5.5042 5.5042 5.9080 5.9080 7.1099 7.1099 8.6262 8.6262 9.2741 9.2741 9.4256 9.4256 k = 0.0918-0.0530 0.0750 ( 2025 PWs) bands (ev): -9.0927 -9.0927 -9.0884 -9.0884 -8.2818 -8.2818 -8.2240 -8.2240 -8.2209 -8.2209 -4.6275 -4.6275 4.4961 4.4961 5.4467 5.4467 5.8366 5.8366 7.2376 7.2376 8.5831 8.5831 9.3610 9.3610 9.5087 9.5087 k = 0.1020-0.0589 0.0833 ( 2029 PWs) bands (ev): -9.0931 -9.0931 -9.0881 -9.0881 -8.2819 -8.2819 -8.2242 -8.2242 -8.2208 -8.2208 -4.6035 -4.6035 4.3525 4.3525 5.3860 5.3860 5.7620 5.7620 7.3610 7.3610 8.5361 8.5361 9.4579 9.4579 9.5983 9.5983 k = 0.1122-0.0648 0.0916 ( 2029 PWs) bands (ev): -9.0935 -9.0935 -9.0877 -9.0877 -8.2820 -8.2820 -8.2243 -8.2243 -8.2207 -8.2207 -4.5771 -4.5771 4.2083 4.2083 5.3227 5.3227 5.6851 5.6851 7.4781 7.4781 8.4883 8.4883 9.5627 9.5627 9.6940 9.6940 k = 0.1224-0.0707 0.1000 ( 2029 PWs) bands (ev): -9.0940 -9.0940 -9.0873 -9.0873 -8.2821 -8.2821 -8.2244 -8.2244 -8.2206 -8.2206 -4.5483 -4.5483 4.0639 4.0639 5.2573 5.2573 5.6065 5.6065 7.5863 7.5863 8.4426 8.4426 9.6740 9.6740 9.7949 9.7949 k = 0.1327-0.0766 0.1083 ( 2029 PWs) bands (ev): -9.0944 -9.0944 -9.0869 -9.0869 -8.2822 -8.2822 -8.2244 -8.2244 -8.2205 -8.2205 -4.5172 -4.5172 3.9196 3.9196 5.1903 5.1903 5.5268 5.5268 7.6819 7.6819 8.4030 8.4030 9.7906 9.7906 9.9006 9.9006 k = 0.1429-0.0825 0.1166 ( 2029 PWs) bands (ev): -9.0949 -9.0949 -9.0864 -9.0864 -8.2824 -8.2824 -8.2244 -8.2244 -8.2204 -8.2204 -4.4836 -4.4836 3.7754 3.7754 5.1222 5.1222 5.4467 5.4467 7.7600 7.7600 8.3742 8.3742 9.9115 9.9115 10.0106 10.0106 k = 0.1531-0.0884 0.1250 ( 2021 PWs) bands (ev): -9.0955 -9.0955 -9.0859 -9.0859 -8.2826 -8.2826 -8.2244 -8.2244 -8.2203 -8.2203 -4.4478 -4.4478 3.6315 3.6315 5.0533 5.0533 5.3664 5.3664 7.8143 7.8143 8.3617 8.3617 10.0361 10.0361 10.1245 10.1245 k = 0.1633-0.0943 0.1333 ( 2017 PWs) bands (ev): -9.0960 -9.0960 -9.0854 -9.0854 -8.2829 -8.2829 -8.2243 -8.2243 -8.2202 -8.2202 -4.4096 -4.4096 3.4881 3.4881 4.9840 4.9840 5.2864 5.2864 7.8405 7.8405 8.3693 8.3693 10.1636 10.1636 10.2417 10.2417 k = 0.1735-0.1002 0.1416 ( 2017 PWs) bands (ev): -9.0966 -9.0966 -9.0849 -9.0849 -8.2831 -8.2831 -8.2241 -8.2241 -8.2201 -8.2201 -4.3693 -4.3693 3.3453 3.3453 4.9147 4.9147 5.2070 5.2070 7.8401 7.8401 8.3945 8.3945 10.2936 10.2936 10.3621 10.3621 k = 0.1837-0.1060 0.1500 ( 2025 PWs) bands (ev): -9.0972 -9.0972 -9.0844 -9.0844 -8.2834 -8.2834 -8.2239 -8.2239 -8.2201 -8.2201 -4.3267 -4.3267 3.2030 3.2030 4.8456 4.8456 5.1285 5.1285 7.8198 7.8198 8.4297 8.4297 10.4255 10.4255 10.4853 10.4853 k = 0.1939-0.1119 0.1583 ( 2017 PWs) bands (ev): -9.0978 -9.0978 -9.0839 -9.0839 -8.2838 -8.2838 -8.2237 -8.2237 -8.2200 -8.2200 -4.2820 -4.2820 3.0615 3.0615 4.7771 4.7771 5.0511 5.0511 7.7871 7.7871 8.4664 8.4664 10.5586 10.5586 10.6114 10.6114 k = 0.2041-0.1178 0.1666 ( 2017 PWs) bands (ev): -9.0984 -9.0984 -9.0833 -9.0833 -8.2842 -8.2842 -8.2234 -8.2234 -8.2199 -8.2199 -4.2352 -4.2352 2.9208 2.9208 4.7093 4.7093 4.9750 4.9750 7.7475 7.7475 8.4986 8.4986 10.6922 10.6922 10.7403 10.7403 k = 0.2143-0.1237 0.1750 ( 2017 PWs) bands (ev): -9.0990 -9.0990 -9.0828 -9.0828 -8.2846 -8.2846 -8.2231 -8.2231 -8.2198 -8.2198 -4.1864 -4.1864 2.7810 2.7810 4.6424 4.6424 4.9005 4.9005 7.7043 7.7043 8.5224 8.5224 10.8255 10.8255 10.8722 10.8722 k = 0.2245-0.1296 0.1833 ( 2021 PWs) bands (ev): -9.0997 -9.0997 -9.0822 -9.0822 -8.2850 -8.2850 -8.2227 -8.2227 -8.2197 -8.2197 -4.1356 -4.1356 2.6421 2.6421 4.5768 4.5768 4.8276 4.8276 7.6598 7.6598 8.5356 8.5356 10.9582 10.9582 11.0072 11.0072 k = 0.2347-0.1355 0.1916 ( 2021 PWs) bands (ev): -9.1003 -9.1003 -9.0816 -9.0816 -8.2855 -8.2855 -8.2222 -8.2222 -8.2196 -8.2196 -4.0830 -4.0830 2.5044 2.5044 4.5125 4.5125 4.7566 4.7566 7.6152 7.6152 8.5375 8.5375 11.0899 11.0899 11.1449 11.1449 k = 0.2449-0.1414 0.2000 ( 2020 PWs) bands (ev): -9.1010 -9.1010 -9.0810 -9.0810 -8.2860 -8.2860 -8.2218 -8.2218 -8.2195 -8.2195 -4.0286 -4.0286 2.3678 2.3678 4.4496 4.4496 4.6875 4.6875 7.5714 7.5714 8.5279 8.5279 11.2211 11.2211 11.2849 11.2849 k = 0.2551-0.1473 0.2083 ( 2020 PWs) bands (ev): -9.1016 -9.1016 -9.0805 -9.0805 -8.2865 -8.2865 -8.2214 -8.2214 -8.2194 -8.2194 -3.9724 -3.9724 2.2326 2.2326 4.3884 4.3884 4.6204 4.6204 7.5290 7.5290 8.5078 8.5078 11.3519 11.3519 11.4264 11.4264 k = 0.2653-0.1532 0.2166 ( 2020 PWs) bands (ev): -9.1023 -9.1023 -9.0799 -9.0799 -8.2870 -8.2870 -8.2209 -8.2209 -8.2191 -8.2191 -3.9147 -3.9147 2.0988 2.0988 4.3290 4.3290 4.5555 4.5555 7.4883 7.4883 8.4780 8.4780 11.4827 11.4827 11.5692 11.5692 k = 0.2755-0.1591 0.2250 ( 2032 PWs) bands (ev): -9.1030 -9.1030 -9.0793 -9.0793 -8.2876 -8.2876 -8.2206 -8.2206 -8.2188 -8.2188 -3.8555 -3.8555 1.9665 1.9665 4.2714 4.2714 4.4929 4.4929 7.4497 7.4497 8.4399 8.4399 11.6138 11.6138 11.7129 11.7129 k = 0.2857-0.1650 0.2333 ( 2032 PWs) bands (ev): -9.1036 -9.1036 -9.0788 -9.0788 -8.2881 -8.2881 -8.2203 -8.2203 -8.2184 -8.2184 -3.7949 -3.7949 1.8360 1.8360 4.2158 4.2158 4.4326 4.4326 7.4133 7.4133 8.3949 8.3949 11.7453 11.7453 11.8571 11.8571 k = 0.2959-0.1708 0.2416 ( 2028 PWs) bands (ev): -9.1043 -9.1043 -9.0782 -9.0782 -8.2887 -8.2887 -8.2201 -8.2201 -8.2179 -8.2179 -3.7331 -3.7331 1.7073 1.7073 4.1623 4.1623 4.3747 4.3747 7.3794 7.3794 8.3444 8.3444 11.8775 11.8775 12.0017 12.0017 k = 0.3061-0.1767 0.2499 ( 2036 PWs) bands (ev): -9.1049 -9.1049 -9.0777 -9.0777 -8.2893 -8.2893 -8.2199 -8.2199 -8.2173 -8.2173 -3.6702 -3.6702 1.5806 1.5806 4.1109 4.1109 4.3193 4.3193 7.3482 7.3482 8.2896 8.2896 12.0104 12.0104 12.1465 12.1465 k = 0.3163-0.1826 0.2583 ( 2036 PWs) bands (ev): -9.1055 -9.1055 -9.0772 -9.0772 -8.2898 -8.2898 -8.2198 -8.2198 -8.2167 -8.2167 -3.6065 -3.6065 1.4562 1.4562 4.0618 4.0618 4.2664 4.2664 7.3196 7.3196 8.2317 8.2317 12.1439 12.1439 12.2911 12.2911 k = 0.3265-0.1885 0.2666 ( 2044 PWs) bands (ev): -9.1061 -9.1061 -9.0767 -9.0767 -8.2904 -8.2904 -8.2197 -8.2197 -8.2160 -8.2160 -3.5421 -3.5421 1.3343 1.3343 4.0149 4.0149 4.2161 4.2161 7.2938 7.2938 8.1717 8.1717 12.2780 12.2780 12.4354 12.4354 k = 0.3367-0.1944 0.2749 ( 2044 PWs) bands (ev): -9.1067 -9.1067 -9.0762 -9.0762 -8.2909 -8.2909 -8.2196 -8.2196 -8.2153 -8.2153 -3.4773 -3.4773 1.2151 1.2151 3.9705 3.9705 4.1684 4.1684 7.2708 7.2708 8.1104 8.1104 12.4125 12.4125 12.5791 12.5791 k = 0.3469-0.2003 0.2833 ( 2036 PWs) bands (ev): -9.1073 -9.1073 -9.0757 -9.0757 -8.2914 -8.2914 -8.2195 -8.2195 -8.2147 -8.2147 -3.4124 -3.4124 1.0990 1.0990 3.9284 3.9284 4.1234 4.1234 7.2508 7.2508 8.0487 8.0487 12.5472 12.5472 12.7219 12.7219 k = 0.3571-0.2062 0.2916 ( 2036 PWs) bands (ev): -9.1078 -9.1078 -9.0752 -9.0752 -8.2919 -8.2919 -8.2195 -8.2195 -8.2140 -8.2140 -3.3476 -3.3476 0.9862 0.9862 3.8889 3.8889 4.0811 4.0811 7.2338 7.2338 7.9870 7.9870 12.6817 12.6817 12.8635 12.8635 k = 0.3673-0.2121 0.2999 ( 2044 PWs) bands (ev): -9.1083 -9.1083 -9.0748 -9.0748 -8.2924 -8.2924 -8.2194 -8.2194 -8.2134 -8.2134 -3.2833 -3.2833 0.8770 0.8770 3.8519 3.8519 4.0416 4.0416 7.2197 7.2197 7.9260 7.9260 12.8157 12.8157 13.0033 13.0033 k = 0.3776-0.2180 0.3083 ( 2032 PWs) bands (ev): -9.1088 -9.1088 -9.0744 -9.0744 -8.2929 -8.2929 -8.2194 -8.2194 -8.2127 -8.2127 -3.2198 -3.2198 0.7721 0.7721 3.8174 3.8174 4.0049 4.0049 7.2088 7.2088 7.8661 7.8661 12.9488 12.9488 13.1409 13.1409 k = 0.3878-0.2239 0.3166 ( 2032 PWs) bands (ev): -9.1092 -9.1092 -9.0741 -9.0741 -8.2933 -8.2933 -8.2193 -8.2193 -8.2121 -8.2121 -3.1578 -3.1578 0.6717 0.6717 3.7856 3.7856 3.9711 3.9711 7.2009 7.2009 7.8076 7.8076 13.0802 13.0802 13.2756 13.2756 k = 0.3980-0.2298 0.3249 ( 2024 PWs) bands (ev): -9.1097 -9.1097 -9.0737 -9.0737 -8.2937 -8.2937 -8.2193 -8.2193 -8.2116 -8.2116 -3.0976 -3.0976 0.5765 0.5765 3.7564 3.7564 3.9400 3.9400 7.1961 7.1961 7.7510 7.7510 13.2094 13.2094 13.4067 13.4067 k = 0.4082-0.2357 0.3333 ( 2024 PWs) bands (ev): -9.1101 -9.1101 -9.0734 -9.0734 -8.2941 -8.2941 -8.2192 -8.2192 -8.2111 -8.2111 -3.0398 -3.0398 0.4869 0.4869 3.7299 3.7299 3.9119 3.9119 7.1944 7.1944 7.6963 7.6963 13.3356 13.3356 13.5330 13.5330 k = 0.4184-0.2415 0.3416 ( 2032 PWs) bands (ev): -9.1104 -9.1104 -9.0731 -9.0731 -8.2944 -8.2944 -8.2192 -8.2192 -8.2106 -8.2106 -2.9851 -2.9851 0.4038 0.4038 3.7061 3.7061 3.8866 3.8866 7.1959 7.1959 7.6440 7.6440 13.4577 13.4577 13.6534 13.6534 k = 0.4286-0.2474 0.3499 ( 2032 PWs) bands (ev): -9.1107 -9.1107 -9.0729 -9.0729 -8.2947 -8.2947 -8.2191 -8.2191 -8.2102 -8.2102 -2.9342 -2.9342 0.3277 0.3277 3.6851 3.6851 3.8643 3.8643 7.2006 7.2006 7.5940 7.5940 13.5744 13.5744 13.7663 13.7663 k = 0.4388-0.2533 0.3583 ( 2028 PWs) bands (ev): -9.1110 -9.1110 -9.0726 -9.0726 -8.2950 -8.2950 -8.2191 -8.2191 -8.2098 -8.2098 -2.8878 -2.8878 0.2595 0.2595 3.6668 3.6668 3.8450 3.8450 7.2084 7.2084 7.5467 7.5467 13.6843 13.6843 13.8700 13.8700 k = 0.4490-0.2592 0.3666 ( 2032 PWs) bands (ev): -9.1112 -9.1112 -9.0724 -9.0724 -8.2952 -8.2952 -8.2191 -8.2191 -8.2095 -8.2095 -2.8468 -2.8468 0.2000 0.2000 3.6513 3.6513 3.8285 3.8285 7.2193 7.2193 7.5020 7.5020 13.7852 13.7852 13.9623 13.9623 k = 0.4592-0.2651 0.3749 ( 2040 PWs) bands (ev): -9.1114 -9.1114 -9.0723 -9.0723 -8.2954 -8.2954 -8.2191 -8.2191 -8.2092 -8.2092 -2.8118 -2.8118 0.1499 0.1499 3.6386 3.6386 3.8151 3.8151 7.2335 7.2335 7.4602 7.4602 13.8747 13.8747 14.0411 14.0411 k = 0.4694-0.2710 0.3833 ( 2044 PWs) bands (ev): -9.1116 -9.1116 -9.0722 -9.0722 -8.2955 -8.2955 -8.2191 -8.2191 -8.2090 -8.2090 -2.7837 -2.7837 0.1100 0.1100 3.6287 3.6287 3.8046 3.8046 7.2508 7.2508 7.4214 7.4214 13.9501 13.9501 14.1042 14.1042 k = 0.4796-0.2769 0.3916 ( 2044 PWs) bands (ev): -9.1117 -9.1117 -9.0721 -9.0721 -8.2956 -8.2956 -8.2190 -8.2190 -8.2088 -8.2088 -2.7630 -2.7630 0.0809 0.0809 3.6216 3.6216 3.7971 3.7971 7.2711 7.2711 7.3856 7.3856 14.0078 14.0078 14.1499 14.1499 k = 0.4898-0.2828 0.3999 ( 2044 PWs) bands (ev): -9.1118 -9.1118 -9.0720 -9.0720 -8.2957 -8.2957 -8.2190 -8.2190 -8.2087 -8.2087 -2.7504 -2.7504 0.0633 0.0633 3.6174 3.6174 3.7926 3.7926 7.2942 7.2942 7.3531 7.3531 14.0445 14.0445 14.1774 14.1774 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -9.1118 -9.1118 -9.0720 -9.0720 -8.2957 -8.2957 -8.2190 -8.2190 -8.2087 -8.2087 -2.7462 -2.7462 0.0573 0.0573 3.6160 3.6160 3.7911 3.7911 7.3142 7.3142 7.3301 7.3301 14.0571 14.0571 14.1865 14.1865 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -9.1118 -9.1118 -9.0720 -9.0720 -8.2957 -8.2957 -8.2190 -8.2190 -8.2087 -8.2087 -2.7462 -2.7462 0.0573 0.0573 3.6160 3.6160 3.7911 3.7911 7.3142 7.3142 7.3301 7.3301 14.0571 14.0571 14.1865 14.1865 k = 0.5000-0.2771 0.4164 ( 2044 PWs) bands (ev): -9.1128 -9.1108 -9.0723 -9.0717 -8.2977 -8.2937 -8.2194 -8.2186 -8.2094 -8.2081 -2.7464 -2.7457 0.0545 0.0610 3.6037 3.6234 3.7834 3.7936 7.3119 7.3284 7.3316 7.3407 14.0092 14.0799 14.1592 14.1884 k = 0.5000-0.2656 0.4246 ( 2044 PWs) bands (ev): -9.1138 -9.1098 -9.0726 -9.0714 -8.2996 -8.2917 -8.2199 -8.2182 -8.2102 -8.2075 -2.7464 -2.7449 0.0524 0.0655 3.5866 3.6259 3.7705 3.7906 7.3217 7.3453 7.3545 7.3634 13.9415 14.0704 14.1053 14.1683 k = 0.5000-0.2540 0.4327 ( 2044 PWs) bands (ev): -9.1148 -9.1088 -9.0728 -9.0711 -8.3016 -8.2897 -8.2202 -8.2177 -8.2110 -8.2070 -2.7460 -2.7438 0.0511 0.0707 3.5651 3.6236 3.7528 3.7824 7.3434 7.3712 7.3920 7.3981 13.8568 14.0233 14.0260 14.1283 k = 0.5000-0.2425 0.4409 ( 2048 PWs) bands (ev): -9.1158 -9.1078 -9.0731 -9.0707 -8.3034 -8.2876 -8.2206 -8.2173 -8.2119 -8.2065 -2.7454 -2.7424 0.0506 0.0767 3.5393 3.6168 3.7309 3.7692 7.3766 7.4089 7.4399 7.4448 13.7571 13.9237 13.9422 14.0640 k = 0.5000-0.2309 0.4491 ( 2044 PWs) bands (ev): -9.1167 -9.1069 -9.0733 -9.0704 -8.3053 -8.2856 -8.2210 -8.2168 -8.2128 -8.2061 -2.7445 -2.7408 0.0508 0.0834 3.5099 3.6058 3.7051 3.7514 7.4209 7.4581 7.4973 7.5035 13.6437 13.8014 13.8342 13.9726 k = 0.5000-0.2194 0.4572 ( 2046 PWs) bands (ev): -9.1177 -9.1059 -9.0735 -9.0701 -8.3071 -8.2835 -8.2213 -8.2164 -8.2138 -8.2057 -2.7434 -2.7389 0.0517 0.0907 3.4772 3.5911 3.6763 3.7296 7.4758 7.5184 7.5642 7.5731 13.5178 13.6627 13.7050 13.8559 k = 0.5000-0.2078 0.4654 ( 2044 PWs) bands (ev): -9.1186 -9.1050 -9.0736 -9.0697 -8.3088 -8.2814 -8.2217 -8.2159 -8.2149 -8.2054 -2.7420 -2.7368 0.0532 0.0987 3.4418 3.5732 3.6449 3.7043 7.5407 7.5892 7.6406 7.6525 13.3804 13.5110 13.5591 13.7187 k = 0.5000-0.1963 0.4736 ( 2040 PWs) bands (ev): -9.1195 -9.1042 -9.0738 -9.0694 -8.3105 -8.2793 -8.2220 -8.2160 -8.2155 -8.2052 -2.7404 -2.7346 0.0554 0.1071 3.4043 3.5525 3.6117 3.6761 7.6149 7.6699 7.7261 7.7408 13.2322 13.3498 13.3998 13.5661 k = 0.5000-0.1848 0.4817 ( 2044 PWs) bands (ev): -9.1203 -9.1034 -9.0739 -9.0691 -8.3122 -8.2772 -8.2223 -8.2172 -8.2150 -8.2050 -2.7387 -2.7322 0.0581 0.1161 3.3653 3.5297 3.5773 3.6458 7.6977 7.7600 7.8201 7.8373 13.0739 13.1824 13.2301 13.4022 k = 0.5000-0.1732 0.4899 ( 2044 PWs) bands (ev): -9.1211 -9.1026 -9.0739 -9.0688 -8.3138 -8.2751 -8.2226 -8.2184 -8.2145 -8.2048 -2.7368 -2.7296 0.0612 0.1254 3.3254 3.5053 3.5422 3.6140 7.7885 7.8588 7.9223 7.9414 12.9060 13.0116 13.0522 13.2301 k = 0.5000-0.1617 0.4981 ( 2040 PWs) bands (ev): -9.1219 -9.1019 -9.0740 -9.0685 -8.3153 -8.2730 -8.2230 -8.2196 -8.2141 -8.2047 -2.7348 -2.7270 0.0648 0.1349 3.2850 3.4797 3.5071 3.5813 7.8865 7.9658 8.0319 8.0523 12.7295 12.8394 12.8680 13.0525 k = 0.5000-0.1501 0.5062 ( 2044 PWs) bands (ev): -9.1226 -9.1013 -9.0740 -9.0682 -8.3167 -8.2709 -8.2233 -8.2209 -8.2136 -8.2046 -2.7328 -2.7243 0.0686 0.1446 3.2449 3.4536 3.4725 3.5484 7.9909 8.0803 8.1486 8.1696 12.5461 12.6669 12.6792 12.8711 k = 0.5000-0.1386 0.5144 ( 2032 PWs) bands (ev): -9.1233 -9.1007 -9.0739 -9.0679 -8.3181 -8.2688 -8.2238 -8.2221 -8.2132 -8.2045 -2.7307 -2.7217 0.0727 0.1544 3.2055 3.4274 3.4387 3.5159 8.1010 8.2018 8.2717 8.2924 12.3576 12.4871 12.4947 12.6876 k = 0.5000-0.1270 0.5226 ( 2032 PWs) bands (ev): -9.1240 -9.1001 -9.0739 -9.0676 -8.3194 -8.2667 -8.2246 -8.2229 -8.2127 -8.2045 -2.7286 -2.7190 0.0769 0.1640 3.1672 3.4015 3.4063 3.4842 8.2159 8.3299 8.4009 8.4203 12.1657 12.2929 12.3230 12.5031 k = 0.5000-0.1155 0.5307 ( 2036 PWs) bands (ev): -9.1246 -9.0996 -9.0739 -9.0674 -8.3206 -8.2647 -8.2259 -8.2234 -8.2123 -8.2045 -2.7265 -2.7165 0.0812 0.1735 3.1306 3.3755 3.3763 3.4539 8.3347 8.4641 8.5354 8.5527 11.9718 12.0974 12.1526 12.3187 k = 0.5000-0.1039 0.5389 ( 2032 PWs) bands (ev): -9.1251 -9.0992 -9.0738 -9.0671 -8.3216 -8.2626 -8.2274 -8.2237 -8.2119 -8.2046 -2.7245 -2.7140 0.0854 0.1826 3.0962 3.3468 3.3522 3.4254 8.4563 8.6041 8.6743 8.6895 11.7769 11.9016 11.9844 12.1356 k = 0.5000-0.0924 0.5471 ( 2030 PWs) bands (ev): -9.1256 -9.0988 -9.0737 -9.0669 -8.3226 -8.2605 -8.2289 -8.2239 -8.2115 -8.2046 -2.7226 -2.7117 0.0895 0.1912 3.0642 3.3204 3.3297 3.3991 8.5795 8.7493 8.8155 8.8314 11.5818 11.7060 11.8195 11.9549 k = 0.5000-0.0808 0.5552 ( 2034 PWs) bands (ev): -9.1260 -9.0985 -9.0736 -9.0668 -8.3235 -8.2585 -8.2306 -8.2241 -8.2111 -8.2047 -2.7209 -2.7095 0.0933 0.1991 3.0350 3.2965 3.3088 3.3753 8.7026 8.8995 8.9565 8.9792 11.3872 11.5113 11.6595 11.7779 k = 0.5000-0.0693 0.5634 ( 2036 PWs) bands (ev): -9.1264 -9.0982 -9.0735 -9.0666 -8.3243 -8.2565 -8.2322 -8.2242 -8.2107 -8.2048 -2.7193 -2.7076 0.0968 0.2064 3.0091 3.2754 3.2901 3.3543 8.8238 9.0544 9.0958 9.1323 11.1935 11.3182 11.5064 11.6063 k = 0.5000-0.0577 0.5715 ( 2024 PWs) bands (ev): -9.1267 -9.0980 -9.0734 -9.0664 -8.3250 -8.2545 -8.2339 -8.2243 -8.2104 -8.2049 -2.7179 -2.7059 0.0999 0.2127 2.9867 3.2573 3.2737 3.3362 8.9403 9.2137 9.2317 9.2896 11.0013 11.1274 11.3629 11.4426 k = 0.5000-0.0462 0.5797 ( 2028 PWs) bands (ev): -9.1270 -9.0978 -9.0734 -9.0663 -8.3255 -8.2526 -8.2356 -8.2244 -8.2101 -8.2050 -2.7167 -2.7045 0.1026 0.2181 2.9679 3.2422 3.2600 3.3212 9.0484 9.3612 9.3771 9.4498 10.8108 10.9398 11.2326 11.2902 k = 0.5000-0.0346 0.5879 ( 2020 PWs) bands (ev): -9.1272 -9.0977 -9.0733 -9.0662 -8.3259 -8.2507 -8.2372 -8.2245 -8.2099 -8.2051 -2.7158 -2.7034 0.1047 0.2224 2.9532 3.2304 3.2490 3.3095 9.1434 9.4789 9.5443 9.6112 10.6225 10.7572 11.1204 11.1545 k = 0.5000-0.0231 0.5960 ( 2024 PWs) bands (ev): -9.1273 -9.0976 -9.0732 -9.0662 -8.3262 -8.2490 -8.2388 -8.2246 -8.2097 -8.2052 -2.7151 -2.7025 0.1063 0.2255 2.9425 3.2219 3.2411 3.3010 9.2190 9.5767 9.7148 9.7697 10.4369 10.5834 11.0325 11.0437 k = 0.5000-0.0115 0.6042 ( 2036 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3264 -8.2477 -8.2400 -8.2246 -8.2096 -8.2053 -2.7147 -2.7020 0.1072 0.2274 2.9360 3.2167 3.2362 3.2960 9.2683 9.6435 9.8872 9.9121 10.2554 10.4319 10.9692 10.9757 k = 0.5000 0.0000 0.6124 ( 2048 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3265 -8.2472 -8.2405 -8.2246 -8.2096 -8.2053 -2.7145 -2.7019 0.1075 0.2280 2.9339 3.2150 3.2346 3.2943 9.2855 9.6675 9.9839 10.0289 10.1107 10.3570 10.9426 10.9560 k = 0.5000 0.0000 0.6124 ( 2048 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3265 -8.2472 -8.2405 -8.2246 -8.2096 -8.2053 -2.7145 -2.7019 0.1075 0.2280 2.9339 3.2150 3.2346 3.2943 9.2855 9.6675 9.9839 10.0289 10.1107 10.3570 10.9426 10.9560 k = 0.4931 0.0120 0.6124 ( 2036 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3264 -8.2475 -8.2403 -8.2246 -8.2096 -8.2053 -2.7154 -2.7028 0.1082 0.2285 2.9323 3.1915 3.2608 3.3004 9.2715 9.6410 9.9338 9.9671 10.2021 10.3953 10.9557 10.9755 k = 0.4861 0.0241 0.6124 ( 2024 PWs) bands (ev): -9.1273 -9.0975 -9.0733 -9.0661 -8.3263 -8.2482 -8.2397 -8.2246 -8.2096 -8.2052 -2.7178 -2.7053 0.1098 0.2296 2.9271 3.1611 3.2986 3.3198 9.2249 9.5464 9.8557 9.9156 10.3269 10.4851 10.9956 11.0221 k = 0.4792 0.0361 0.6124 ( 2022 PWs) bands (ev): -9.1272 -9.0976 -9.0734 -9.0662 -8.3261 -8.2492 -8.2388 -8.2246 -8.2096 -8.2052 -2.7215 -2.7091 0.1122 0.2312 2.9182 3.1315 3.3371 3.3551 9.1426 9.3989 9.8004 9.8840 10.4559 10.5967 11.0568 11.0877 k = 0.4722 0.0481 0.6124 ( 2023 PWs) bands (ev): -9.1270 -9.0976 -9.0735 -9.0662 -8.3257 -8.2504 -8.2379 -8.2246 -8.2097 -8.2051 -2.7261 -2.7140 0.1150 0.2331 2.9064 3.1033 3.3777 3.4030 9.0295 9.2303 9.7603 9.8671 10.5876 10.7184 11.1333 11.1683 k = 0.4653 0.0601 0.6124 ( 2030 PWs) bands (ev): -9.1268 -9.0977 -9.0737 -9.0662 -8.3253 -8.2517 -8.2369 -8.2247 -8.2098 -8.2051 -2.7316 -2.7197 0.1180 0.2350 2.8926 3.0766 3.4244 3.4570 8.8956 9.0559 9.7324 9.8549 10.7214 10.8459 11.2206 11.2612 k = 0.4583 0.0722 0.6124 ( 2034 PWs) bands (ev): -9.1265 -9.0978 -9.0739 -9.0662 -8.3249 -8.2530 -8.2359 -8.2247 -8.2099 -8.2050 -2.7375 -2.7259 0.1212 0.2368 2.8776 3.0516 3.4773 3.5151 8.7507 8.8820 9.7126 9.8436 10.8571 10.9773 11.3156 11.3633 k = 0.4514 0.0842 0.6124 ( 2028 PWs) bands (ev): -9.1263 -9.0980 -9.0741 -9.0662 -8.3244 -8.2543 -8.2350 -8.2248 -8.2100 -8.2049 -2.7438 -2.7325 0.1242 0.2385 2.8623 3.0284 3.5351 3.5762 8.6018 8.7121 9.6975 9.8323 10.9945 11.1116 11.4160 11.4722 k = 0.4444 0.0962 0.6124 ( 2032 PWs) bands (ev): -9.1260 -9.0981 -9.0744 -9.0662 -8.3238 -8.2556 -8.2341 -8.2248 -8.2101 -8.2048 -2.7502 -2.7391 0.1271 0.2400 2.8472 3.0070 3.5965 3.6390 8.4540 8.5482 9.6852 9.8211 11.1333 11.2482 11.5200 11.5857 k = 0.4375 0.1083 0.6124 ( 2032 PWs) bands (ev): -9.1256 -9.0982 -9.0746 -9.0662 -8.3232 -8.2569 -8.2333 -8.2249 -8.2102 -8.2048 -2.7565 -2.7457 0.1297 0.2413 2.8327 2.9876 3.6599 3.7026 8.3106 8.3921 9.6746 9.8100 11.2730 11.3865 11.6256 11.7017 k = 0.4306 0.1203 0.6124 ( 2039 PWs) bands (ev): -9.1253 -9.0984 -9.0749 -9.0662 -8.3226 -8.2581 -8.2325 -8.2249 -8.2103 -8.2047 -2.7626 -2.7521 0.1320 0.2423 2.8192 2.9700 3.7239 3.7657 8.1743 8.2454 9.6653 9.7994 11.4133 11.5259 11.7309 11.8185 k = 0.4236 0.1323 0.6124 ( 2043 PWs) bands (ev): -9.1250 -9.0986 -9.0751 -9.0662 -8.3220 -8.2592 -8.2318 -8.2250 -8.2103 -8.2046 -2.7683 -2.7580 0.1341 0.2431 2.8069 2.9545 3.7868 3.8268 8.0476 8.1098 9.6570 9.7895 11.5532 11.6658 11.8340 11.9344 k = 0.4167 0.1443 0.6124 ( 2043 PWs) bands (ev): -9.1247 -9.0987 -9.0753 -9.0661 -8.3215 -8.2603 -8.2312 -8.2251 -8.2104 -8.2045 -2.7734 -2.7634 0.1358 0.2437 2.7960 2.9409 3.8471 3.8843 7.9325 7.9867 9.6497 9.7806 11.6914 11.8052 11.9325 12.0478 k = 0.4097 0.1564 0.6124 ( 2049 PWs) bands (ev): -9.1244 -9.0989 -9.0755 -9.0661 -8.3210 -8.2612 -8.2307 -8.2251 -8.2105 -8.2045 -2.7780 -2.7682 0.1372 0.2441 2.7865 2.9294 3.9028 3.9367 7.8310 7.8780 9.6434 9.7728 11.8260 11.9429 12.0239 12.1571 k = 0.4028 0.1684 0.6124 ( 2045 PWs) bands (ev): -9.1242 -9.0990 -9.0757 -9.0661 -8.3205 -8.2620 -8.2302 -8.2252 -8.2105 -8.2044 -2.7819 -2.7722 0.1384 0.2444 2.7787 2.9200 3.9522 3.9823 7.7451 7.7854 9.6381 9.7663 11.9531 12.0770 12.1051 12.2609 k = 0.3958 0.1804 0.6124 ( 2049 PWs) bands (ev): -9.1240 -9.0991 -9.0759 -9.0661 -8.3201 -8.2626 -8.2298 -8.2253 -8.2105 -8.2044 -2.7849 -2.7754 0.1392 0.2446 2.7725 2.9126 3.9933 4.0195 7.6765 7.7106 9.6340 9.7611 12.0666 12.1717 12.2065 12.3569 k = 0.3889 0.1925 0.6124 ( 2045 PWs) bands (ev): -9.1238 -9.0992 -9.0760 -9.0661 -8.3198 -8.2631 -8.2296 -8.2253 -8.2106 -8.2044 -2.7872 -2.7777 0.1399 0.2447 2.7680 2.9073 4.0245 4.0469 7.6266 7.6555 9.6310 9.7573 12.1581 12.2214 12.3260 12.4397 k = 0.3819 0.2045 0.6124 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0760 -9.0661 -8.3197 -8.2634 -8.2294 -8.2253 -8.2106 -8.2044 -2.7885 -2.7791 0.1402 0.2448 2.7654 2.9042 4.0440 4.0636 7.5963 7.6216 9.6292 9.7551 12.2201 12.2490 12.4274 12.4931 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.3678 0.2123 0.6006 ( 2045 PWs) bands (ev): -9.1238 -9.0990 -9.0763 -9.0659 -8.3199 -8.2621 -8.2310 -8.2257 -8.2102 -8.2044 -2.8036 -2.7944 0.1584 0.2664 2.7325 2.8741 4.0901 4.1076 7.6151 7.6410 9.8125 9.9584 12.1378 12.1754 12.3608 12.3728 k = 0.3606 0.2082 0.5888 ( 2047 PWs) bands (ev): -9.1238 -9.0988 -9.0765 -9.0659 -8.3201 -8.2607 -8.2326 -8.2260 -8.2098 -8.2045 -2.8211 -2.8121 0.1792 0.2901 2.7074 2.8515 4.1313 4.1479 7.6446 7.6726 9.9871 10.1581 12.0334 12.1120 12.2387 12.2535 k = 0.3534 0.2040 0.5770 ( 2041 PWs) bands (ev): -9.1236 -9.0986 -9.0767 -9.0658 -8.3201 -8.2594 -8.2342 -8.2263 -8.2094 -8.2045 -2.8414 -2.8327 0.2030 0.3162 2.6892 2.8357 4.1741 4.1900 7.6747 7.7049 10.1471 10.3490 11.9351 12.0542 12.1316 12.1389 k = 0.3462 0.1999 0.5653 ( 2043 PWs) bands (ev): -9.1235 -9.0984 -9.0769 -9.0659 -8.3201 -8.2581 -8.2359 -8.2266 -8.2091 -8.2046 -2.8647 -2.8566 0.2301 0.3450 2.6782 2.8265 4.2186 4.2337 7.7049 7.7376 10.2865 10.5244 11.8421 11.9636 12.0313 12.0811 k = 0.3389 0.1957 0.5535 ( 2031 PWs) bands (ev): -9.1232 -9.0983 -9.0771 -9.0660 -8.3198 -8.2569 -8.2375 -8.2269 -8.2088 -8.2047 -2.8912 -2.8836 0.2608 0.3769 2.6741 2.8241 4.2645 4.2790 7.7352 7.7705 10.3990 10.6751 11.7515 11.8492 11.9337 12.0766 k = 0.3317 0.1915 0.5417 ( 2023 PWs) bands (ev): -9.1228 -9.0982 -9.0773 -9.0662 -8.3195 -8.2557 -8.2392 -8.2272 -8.2085 -8.2048 -2.9209 -2.9139 0.2953 0.4120 2.6771 2.8283 4.3119 4.3258 7.7652 7.8034 10.4805 10.7904 11.6584 11.7316 11.8462 12.0781 k = 0.3245 0.1874 0.5299 ( 2027 PWs) bands (ev): -9.1224 -9.0981 -9.0775 -9.0665 -8.3190 -8.2546 -8.2409 -8.2275 -8.2084 -8.2050 -2.9537 -2.9475 0.3339 0.4507 2.6869 2.8390 4.3605 4.3740 7.7946 7.8359 10.5306 10.8627 11.5599 11.6147 11.7613 12.0391 k = 0.3173 0.1832 0.5182 ( 2035 PWs) bands (ev): -9.1219 -9.0980 -9.0778 -9.0668 -8.3184 -8.2535 -8.2426 -8.2277 -8.2082 -8.2051 -2.9896 -2.9841 0.3769 0.4932 2.7034 2.8561 4.4104 4.4235 7.8230 7.8677 10.5531 10.8928 11.4569 11.4994 11.6694 11.9501 k = 0.3101 0.1790 0.5064 ( 2035 PWs) bands (ev): -9.1213 -9.0980 -9.0780 -9.0672 -8.3177 -8.2525 -8.2443 -8.2280 -8.2081 -8.2052 -3.0285 -3.0238 0.4242 0.5397 2.7263 2.8794 4.4614 4.4741 7.8501 7.8985 10.5540 10.8899 11.3516 11.3859 11.5681 11.8385 k = 0.3029 0.1749 0.4946 ( 2039 PWs) bands (ev): -9.1207 -9.0979 -9.0782 -9.0677 -8.3169 -8.2515 -8.2459 -8.2282 -8.2081 -8.2054 -3.0703 -3.0664 0.4761 0.5904 2.7555 2.9086 4.5134 4.5257 7.8755 7.9279 10.5398 10.8656 11.2459 11.2745 11.4597 11.7196 k = 0.2957 0.1707 0.4828 ( 2039 PWs) bands (ev): -9.1200 -9.0979 -9.0784 -9.0682 -8.3160 -8.2505 -8.2476 -8.2285 -8.2082 -8.2055 -3.1147 -3.1117 0.5327 0.6454 2.7906 2.9436 4.5663 4.5783 7.8988 7.9555 10.5161 10.8294 11.1407 11.1654 11.3474 11.5993 k = 0.2885 0.1665 0.4711 ( 2041 PWs) bands (ev): -9.1192 -9.0978 -9.0787 -9.0688 -8.3151 -8.2497 -8.2491 -8.2287 -8.2082 -8.2057 -3.1616 -3.1594 0.5940 0.7048 2.8314 2.9841 4.6200 4.6317 7.9196 7.9809 10.4870 10.7880 11.0366 11.0586 11.2336 11.4801 k = 0.2812 0.1624 0.4593 ( 2033 PWs) bands (ev): -9.1184 -9.0978 -9.0789 -9.0694 -8.3140 -8.2508 -8.2486 -8.2289 -8.2084 -8.2059 -3.2108 -3.2093 0.6600 0.7688 2.8776 3.0299 4.6742 4.6858 7.9374 8.0036 10.4556 10.7454 10.9341 10.9542 11.1199 11.3630 k = 0.2740 0.1582 0.4475 ( 2033 PWs) bands (ev): -9.1175 -9.0977 -9.0791 -9.0701 -8.3128 -8.2524 -8.2477 -8.2290 -8.2086 -8.2061 -3.2619 -3.2611 0.7307 0.8373 2.9290 3.0807 4.7290 4.7404 7.9519 8.0233 10.4237 10.7043 10.8334 10.8523 11.0072 11.2492 k = 0.2668 0.1541 0.4357 ( 2029 PWs) bands (ev): -9.1165 -9.0977 -9.0794 -9.0709 -8.3116 -8.2540 -8.2468 -8.2292 -8.2089 -8.2063 -3.3148 -3.3146 0.8061 0.9103 2.9853 3.1363 4.7841 4.7955 7.9627 8.0394 10.3928 10.6664 10.7346 10.7530 10.8965 11.1392 k = 0.2596 0.1499 0.4240 ( 2025 PWs) bands (ev): -9.1155 -9.0977 -9.0796 -9.0717 -8.3104 -8.2555 -8.2459 -8.2293 -8.2092 -8.2065 -3.3695 -3.3691 0.8861 0.9878 3.0463 3.1965 4.8395 4.8508 7.9695 8.0518 10.3631 10.6322 10.6377 10.6563 10.7888 11.0340 k = 0.2524 0.1457 0.4122 ( 2025 PWs) bands (ev): -9.1145 -9.0976 -9.0799 -9.0725 -8.3091 -8.2571 -8.2450 -8.2294 -8.2096 -8.2067 -3.4255 -3.4246 0.9706 1.0698 3.1116 3.2611 4.8949 4.9062 7.9721 8.0599 10.3343 10.5427 10.5626 10.6000 10.6871 10.9348 k = 0.2452 0.1416 0.4004 ( 2021 PWs) bands (ev): -9.1135 -9.0976 -9.0801 -9.0733 -8.3077 -8.2585 -8.2442 -8.2295 -8.2100 -8.2070 -3.4824 -3.4810 1.0596 1.1562 3.1810 3.3298 4.9502 4.9616 7.9703 8.0637 10.3050 10.4496 10.4721 10.5512 10.6107 10.8432 k = 0.2380 0.1374 0.3886 ( 2021 PWs) bands (ev): -9.1124 -9.0975 -9.0804 -9.0742 -8.3063 -8.2600 -8.2433 -8.2296 -8.2105 -8.2072 -3.5398 -3.5381 1.1530 1.2470 3.2544 3.4023 5.0053 5.0169 7.9640 8.0630 10.2726 10.3583 10.3855 10.4643 10.5815 10.7614 k = 0.2308 0.1332 0.3768 ( 2031 PWs) bands (ev): -9.1113 -9.0974 -9.0806 -9.0751 -8.3049 -8.2614 -8.2425 -8.2296 -8.2110 -8.2075 -3.5976 -3.5956 1.2506 1.3420 3.3314 3.4785 5.0600 5.0718 7.9534 8.0576 10.2322 10.2686 10.3049 10.3704 10.5687 10.6922 k = 0.2236 0.1291 0.3651 ( 2031 PWs) bands (ev): -9.1101 -9.0974 -9.0809 -9.0760 -8.3035 -8.2628 -8.2417 -8.2297 -8.2115 -8.2078 -3.6555 -3.6532 1.3524 1.4413 3.4118 3.5582 5.1142 5.1263 7.9385 8.0477 10.1772 10.1803 10.2337 10.2784 10.5631 10.6381 k = 0.2163 0.1249 0.3533 ( 2017 PWs) bands (ev): -9.1090 -9.0973 -9.0812 -9.0769 -8.3021 -8.2642 -8.2408 -8.2296 -8.2121 -8.2081 -3.7132 -3.7108 1.4583 1.5446 3.4954 3.6411 5.1678 5.1801 7.9195 8.0334 10.0933 10.1083 10.1700 10.1900 10.5629 10.6003 k = 0.2091 0.1207 0.3415 ( 2017 PWs) bands (ev): -9.1078 -9.0972 -9.0814 -9.0778 -8.3007 -8.2655 -8.2400 -8.2296 -8.2127 -8.2085 -3.7706 -3.7681 1.5681 1.6519 3.5819 3.7270 5.2205 5.2333 7.8968 8.0149 10.0077 10.0343 10.1054 10.1056 10.5667 10.5772 k = 0.2019 0.1166 0.3297 ( 2021 PWs) bands (ev): -9.1067 -9.0970 -9.0817 -9.0788 -8.2993 -8.2667 -8.2392 -8.2295 -8.2133 -8.2088 -3.8275 -3.8249 1.6818 1.7630 3.6711 3.8157 5.2722 5.2855 7.8707 7.9924 9.9236 9.9602 10.0253 10.0374 10.5656 10.5734 k = 0.1947 0.1124 0.3180 ( 2027 PWs) bands (ev): -9.1055 -9.0969 -9.0820 -9.0797 -8.2979 -8.2680 -8.2384 -8.2294 -8.2140 -8.2092 -3.8837 -3.8811 1.7991 1.8780 3.7629 3.9069 5.3229 5.3368 7.8415 7.9663 9.8412 9.8875 9.9489 9.9668 10.5614 10.5815 k = 0.1875 0.1083 0.3062 ( 2023 PWs) bands (ev): -9.1044 -9.0968 -9.0823 -9.0806 -8.2965 -8.2691 -8.2375 -8.2293 -8.2146 -8.2096 -3.9390 -3.9364 1.9201 1.9966 3.8568 4.0003 5.3724 5.3869 7.8095 7.9369 9.7609 9.8167 9.8764 9.8955 10.5612 10.5894 k = 0.1803 0.1041 0.2944 ( 2025 PWs) bands (ev): -9.1033 -9.0966 -9.0826 -9.0814 -8.2952 -8.2703 -8.2367 -8.2291 -8.2153 -8.2100 -3.9932 -3.9907 2.0447 2.1187 3.9526 4.0958 5.4205 5.4359 7.7751 7.9045 9.6829 9.7480 9.8075 9.8248 10.5617 10.5954 k = 0.1731 0.0999 0.2826 ( 2023 PWs) bands (ev): -9.1022 -9.0964 -9.0829 -9.0823 -8.2939 -8.2713 -8.2359 -8.2289 -8.2160 -8.2105 -4.0463 -4.0438 2.1726 2.2443 4.0502 4.1930 5.4672 5.4835 7.7385 7.8695 9.6075 9.6814 9.7421 9.7558 10.5600 10.5973 k = 0.1659 0.0958 0.2709 ( 2027 PWs) bands (ev): -9.1011 -9.0962 -9.0832 -9.0831 -8.2927 -8.2724 -8.2351 -8.2287 -8.2166 -8.2109 -4.0980 -4.0956 2.3037 2.3732 4.1491 4.2916 5.5125 5.5297 7.7001 7.8319 9.5348 9.6169 9.6799 9.6892 10.5534 10.5932 k = 0.1587 0.0916 0.2591 ( 2027 PWs) bands (ev): -9.1001 -9.0961 -9.0839 -9.0835 -8.2915 -8.2734 -8.2343 -8.2285 -8.2173 -8.2114 -4.1482 -4.1460 2.4380 2.5052 4.2491 4.3913 5.5562 5.5744 7.6601 7.7922 9.4651 9.5542 9.6210 9.6255 10.5393 10.5808 k = 0.1514 0.0874 0.2473 ( 2023 PWs) bands (ev): -9.0991 -9.0958 -9.0847 -9.0839 -8.2904 -8.2743 -8.2335 -8.2282 -8.2179 -8.2119 -4.1969 -4.1949 2.5754 2.6404 4.3497 4.4917 5.5983 5.6177 7.6186 7.7504 9.3985 9.4934 9.5653 9.5653 10.5155 10.5580 k = 0.1442 0.0833 0.2355 ( 2023 PWs) bands (ev): -9.0982 -9.0956 -9.0854 -9.0842 -8.2893 -8.2751 -8.2327 -8.2279 -8.2185 -8.2124 -4.2439 -4.2420 2.7156 2.7784 4.4508 4.5925 5.6388 5.6595 7.5757 7.7066 9.3351 9.4345 9.5087 9.5126 10.4801 10.5231 k = 0.1370 0.0791 0.2238 ( 2027 PWs) bands (ev): -9.0973 -9.0954 -9.0861 -9.0845 -8.2884 -8.2760 -8.2319 -8.2275 -8.2191 -8.2129 -4.2891 -4.2874 2.8586 2.9193 4.5517 4.6931 5.6778 5.6998 7.5315 7.6608 9.2749 9.3774 9.4558 9.4630 10.4318 10.4749 k = 0.1298 0.0749 0.2120 ( 2027 PWs) bands (ev): -9.0964 -9.0951 -9.0867 -9.0849 -8.2874 -8.2767 -8.2311 -8.2272 -8.2196 -8.2135 -4.3325 -4.3310 3.0042 3.0627 4.6522 4.7930 5.7153 5.7386 7.4859 7.6130 9.2180 9.3223 9.4068 9.4165 10.3701 10.4130 k = 0.1226 0.0708 0.2002 ( 2027 PWs) bands (ev): -9.0956 -9.0949 -9.0873 -9.0852 -8.2866 -8.2774 -8.2304 -8.2268 -8.2202 -8.2140 -4.3740 -4.3726 3.1522 3.2087 4.7516 4.8917 5.7515 5.7761 7.4389 7.5630 9.1645 9.2693 9.3614 9.3731 10.2953 10.3378 k = 0.1154 0.0666 0.1884 ( 2025 PWs) bands (ev): -9.0949 -9.0946 -9.0879 -9.0855 -8.2858 -8.2781 -8.2296 -8.2264 -8.2206 -8.2146 -4.4134 -4.4122 3.3026 3.3568 4.8494 4.9886 5.7864 5.8123 7.3903 7.5107 9.1144 9.2184 9.3198 9.3327 10.2086 10.2505 k = 0.1082 0.0625 0.1766 ( 2025 PWs) bands (ev): -9.0944 -9.0942 -9.0884 -9.0859 -8.2851 -8.2786 -8.2289 -8.2260 -8.2211 -8.2151 -4.4507 -4.4497 3.4550 3.5071 4.9452 5.0829 5.8204 5.8473 7.3398 7.4557 9.0675 9.1696 9.2817 9.2954 10.1119 10.1532 k = 0.1010 0.0583 0.1649 ( 2023 PWs) bands (ev): -9.0941 -9.0936 -9.0889 -9.0862 -8.2845 -8.2792 -8.2282 -8.2256 -8.2215 -8.2157 -4.4859 -4.4851 3.6092 3.6592 5.0381 5.1737 5.8537 5.8813 7.2871 7.3976 9.0239 9.1227 9.2473 9.2612 10.0077 10.0483 k = 0.0938 0.0541 0.1531 ( 2019 PWs) bands (ev): -9.0938 -9.0930 -9.0893 -9.0866 -8.2840 -8.2796 -8.2275 -8.2252 -8.2219 -8.2163 -4.5189 -4.5182 3.7651 3.8128 5.1276 5.2602 5.8866 5.9146 7.2318 7.3360 8.9834 9.0777 9.2165 9.2301 9.8988 9.9385 k = 0.0865 0.0500 0.1413 ( 2027 PWs) bands (ev): -9.0935 -9.0925 -9.0896 -9.0869 -8.2835 -8.2801 -8.2269 -8.2248 -8.2222 -8.2168 -4.5497 -4.5491 3.9223 3.9678 5.2130 5.3413 5.9195 5.9472 7.1733 7.2703 8.9457 9.0342 9.1893 9.2023 9.7880 9.8267 k = 0.0793 0.0458 0.1295 ( 2027 PWs) bands (ev): -9.0932 -9.0920 -9.0899 -9.0873 -8.2831 -8.2804 -8.2262 -8.2244 -8.2225 -8.2174 -4.5781 -4.5777 4.0805 4.1235 5.2934 5.4161 5.9528 5.9793 7.1110 7.1999 8.9106 8.9919 9.1656 9.1776 9.6786 9.7157 k = 0.0721 0.0416 0.1178 ( 2027 PWs) bands (ev): -9.0930 -9.0917 -9.0902 -9.0876 -8.2827 -8.2807 -8.2256 -8.2240 -8.2227 -8.2179 -4.6043 -4.6039 4.2392 4.2798 5.3684 5.4837 5.9868 6.0111 7.0444 7.1243 8.8777 8.9505 9.1454 9.1561 9.5734 9.6083 k = 0.0649 0.0375 0.1060 ( 2025 PWs) bands (ev): -9.0927 -9.0913 -9.0904 -9.0879 -8.2825 -8.2810 -8.2251 -8.2236 -8.2228 -8.2185 -4.6280 -4.6277 4.3981 4.4358 5.4373 5.5433 6.0214 6.0425 6.9727 7.0431 8.8466 8.9094 9.1286 9.1378 9.4753 9.5070 k = 0.0577 0.0333 0.0942 ( 2045 PWs) bands (ev): -9.0924 -9.0911 -9.0906 -9.0883 -8.2822 -8.2812 -8.2246 -8.2233 -8.2230 -8.2190 -4.6493 -4.6491 4.5563 4.5910 5.4998 5.5947 6.0564 6.0736 6.8955 6.9557 8.8169 8.8685 9.1151 9.1226 9.3866 9.4142 k = 0.0505 0.0291 0.0824 ( 2049 PWs) bands (ev): -9.0922 -9.0908 -9.0907 -9.0886 -8.2820 -8.2813 -8.2241 -8.2231 -8.2230 -8.2195 -4.6682 -4.6681 4.7130 4.7444 5.5558 5.6380 6.0912 6.1038 6.8124 6.8622 8.7881 8.8280 9.1045 9.1104 9.3093 9.3317 k = 0.0433 0.0250 0.0707 ( 2049 PWs) bands (ev): -9.0919 -9.0907 -9.0907 -9.0889 -8.2819 -8.2815 -8.2237 -8.2231 -8.2228 -8.2200 -4.6846 -4.6846 4.8669 4.8944 5.6056 5.6740 6.1245 6.1328 6.7234 6.7628 8.7601 8.7886 9.0965 9.1010 9.2442 9.2611 k = 0.0361 0.0208 0.0589 ( 2049 PWs) bands (ev): -9.0916 -9.0908 -9.0905 -9.0892 -8.2818 -8.2815 -8.2233 -8.2231 -8.2226 -8.2205 -4.6986 -4.6985 5.0161 5.0391 5.6501 5.7039 6.1552 6.1597 6.6289 6.6583 8.7333 8.7515 9.0909 9.0940 9.1916 9.2030 k = 0.0288 0.0167 0.0471 ( 2053 PWs) bands (ev): -9.0914 -9.0908 -9.0905 -9.0895 -8.2817 -8.2816 -8.2231 -8.2229 -8.2224 -8.2209 -4.7100 -4.7100 5.1573 5.1750 5.6908 5.7295 6.1820 6.1836 6.5306 6.5505 8.7084 8.7184 9.0872 9.0892 9.1505 9.1574 k = 0.0216 0.0125 0.0353 ( 2057 PWs) bands (ev): -9.0912 -9.0907 -9.0904 -9.0898 -8.2817 -8.2816 -8.2229 -8.2227 -8.2223 -8.2213 -4.7189 -4.7189 5.2851 5.2966 5.7299 5.7536 6.2037 6.2038 6.4315 6.4430 8.6866 8.6911 9.0849 9.0861 9.1201 9.1237 k = 0.0144 0.0083 0.0236 ( 2065 PWs) bands (ev): -9.0910 -9.0907 -9.0904 -9.0901 -8.2817 -8.2817 -8.2227 -8.2225 -8.2222 -8.2217 -4.7253 -4.7253 5.3900 5.3951 5.7694 5.7797 6.2190 6.2198 6.3378 6.3426 8.6695 8.6709 9.0836 9.0843 9.0991 9.1007 k = 0.0072 0.0042 0.0118 ( 2085 PWs) bands (ev): -9.0908 -9.0906 -9.0905 -9.0903 -8.2817 -8.2817 -8.2225 -8.2224 -8.2222 -8.2220 -4.7291 -4.7291 5.4591 5.4599 5.8057 5.8075 6.2287 6.2293 6.2632 6.2639 8.6584 8.6586 9.0830 9.0833 9.0869 9.0874 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -9.0905 -9.0905 -9.0905 -9.0905 -8.2817 -8.2817 -8.2223 -8.2223 -8.2223 -8.2223 -4.7304 -4.7304 5.4826 5.4826 5.8222 5.8222 6.2323 6.2323 6.2323 6.2323 8.6545 8.6545 9.0829 9.0829 9.0829 9.0829 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -9.0905 -9.0905 -9.0905 -9.0905 -8.2817 -8.2817 -8.2223 -8.2223 -8.2223 -8.2223 -4.7304 -4.7304 5.4826 5.4826 5.8222 5.8222 6.2323 6.2323 6.2323 6.2323 8.6545 8.6545 9.0829 9.0829 9.0829 9.0829 k = 0.0116 0.0067 0.0047 ( 2085 PWs) bands (ev): -9.0908 -9.0905 -9.0905 -9.0903 -8.2817 -8.2817 -8.2225 -8.2223 -8.2223 -8.2220 -4.7291 -4.7291 5.4600 5.4600 5.8070 5.8070 6.2297 6.2305 6.2618 6.2618 8.6584 8.6584 9.0842 9.0842 9.0857 9.0863 k = 0.0233 0.0134 0.0095 ( 2067 PWs) bands (ev): -9.0910 -9.0906 -9.0906 -9.0900 -8.2817 -8.2817 -8.2227 -8.2224 -8.2224 -8.2216 -4.7254 -4.7254 5.3940 5.3940 5.7761 5.7761 6.2228 6.2243 6.3340 6.3340 8.6701 8.6701 9.0881 9.0881 9.0945 9.0956 k = 0.0349 0.0201 0.0142 ( 2055 PWs) bands (ev): -9.0912 -9.0906 -9.0906 -9.0898 -8.2817 -8.2817 -8.2229 -8.2225 -8.2225 -8.2212 -4.7192 -4.7192 5.2925 5.2925 5.7459 5.7459 6.2116 6.2138 6.4243 6.4243 8.6897 8.6897 9.0950 9.0950 9.1092 9.1108 k = 0.0465 0.0269 0.0190 ( 2049 PWs) bands (ev): -9.0914 -9.0906 -9.0906 -9.0895 -8.2817 -8.2817 -8.2230 -8.2228 -8.2228 -8.2208 -4.7105 -4.7105 5.1667 5.1667 5.7192 5.7192 6.1964 6.1993 6.5186 6.5186 8.7172 8.7172 9.1058 9.1058 9.1295 9.1316 k = 0.0581 0.0336 0.0237 ( 2049 PWs) bands (ev): -9.0915 -9.0907 -9.0907 -9.0893 -8.2817 -8.2817 -8.2230 -8.2230 -8.2230 -8.2203 -4.6994 -4.6994 5.0258 5.0258 5.6937 5.6937 6.1774 6.1810 6.6094 6.6094 8.7526 8.7526 9.1212 9.1212 9.1550 9.1576 k = 0.0698 0.0403 0.0285 ( 2049 PWs) bands (ev): -9.0917 -9.0908 -9.0908 -9.0890 -8.2817 -8.2817 -8.2233 -8.2233 -8.2230 -8.2198 -4.6858 -4.6858 4.8753 4.8753 5.6680 5.6680 6.1550 6.1591 6.6930 6.6930 8.7957 8.7957 9.1424 9.1424 9.1853 9.1883 k = 0.0814 0.0470 0.0332 ( 2049 PWs) bands (ev): -9.0918 -9.0909 -9.0909 -9.0887 -8.2817 -8.2817 -8.2237 -8.2237 -8.2230 -8.2193 -4.6697 -4.6697 4.7186 4.7186 5.6409 5.6409 6.1294 6.1341 6.7668 6.7668 8.8457 8.8457 9.1707 9.1707 9.2199 9.2233 k = 0.0930 0.0537 0.0380 ( 2031 PWs) bands (ev): -9.0919 -9.0910 -9.0910 -9.0884 -8.2817 -8.2817 -8.2241 -8.2241 -8.2229 -8.2187 -4.6513 -4.6513 4.5577 4.5577 5.6121 5.6121 6.1010 6.1062 6.8297 6.8297 8.9015 8.9015 9.2078 9.2078 9.2583 9.2620 k = 0.1047 0.0604 0.0427 ( 2031 PWs) bands (ev): -9.0920 -9.0911 -9.0911 -9.0881 -8.2817 -8.2817 -8.2246 -8.2246 -8.2228 -8.2181 -4.6305 -4.6305 4.3940 4.3940 5.5817 5.5817 6.0703 6.0759 6.8809 6.8809 8.9609 8.9609 9.2556 9.2556 9.2998 9.3038 k = 0.1163 0.0671 0.0475 ( 2028 PWs) bands (ev): -9.0921 -9.0912 -9.0912 -9.0879 -8.2817 -8.2817 -8.2251 -8.2251 -8.2226 -8.2175 -4.6074 -4.6074 4.2285 4.2285 5.5496 5.5496 6.0375 6.0435 6.9207 6.9207 9.0215 9.0215 9.3162 9.3162 9.3437 9.3480 k = 0.1279 0.0738 0.0522 ( 2028 PWs) bands (ev): -9.0922 -9.0913 -9.0913 -9.0876 -8.2817 -8.2817 -8.2257 -8.2257 -8.2223 -8.2169 -4.5819 -4.5819 4.0618 4.0618 5.5162 5.5162 6.0030 6.0093 6.9494 6.9494 9.0808 9.0808 9.3895 9.3912 9.3912 9.3940 k = 0.1395 0.0806 0.0570 ( 2028 PWs) bands (ev): -9.0922 -9.0915 -9.0915 -9.0873 -8.2817 -8.2817 -8.2263 -8.2263 -8.2220 -8.2162 -4.5542 -4.5542 3.8947 3.8947 5.4816 5.4816 5.9671 5.9738 6.9681 6.9681 9.1373 9.1373 9.4364 9.4411 9.4806 9.4806 k = 0.1512 0.0873 0.0617 ( 2022 PWs) bands (ev): -9.0923 -9.0917 -9.0917 -9.0871 -8.2817 -8.2817 -8.2270 -8.2270 -8.2217 -8.2155 -4.5243 -4.5243 3.7276 3.7276 5.4460 5.4460 5.9303 5.9372 6.9778 6.9778 9.1909 9.1909 9.4838 9.4886 9.5834 9.5834 k = 0.1628 0.0940 0.0665 ( 2022 PWs) bands (ev): -9.0923 -9.0918 -9.0918 -9.0868 -8.2816 -8.2816 -8.2276 -8.2276 -8.2213 -8.2148 -4.4922 -4.4922 3.5608 3.5608 5.4097 5.4097 5.8927 5.8998 6.9798 6.9798 9.2417 9.2417 9.5311 9.5359 9.6975 9.6975 k = 0.1744 0.1007 0.0712 ( 2022 PWs) bands (ev): -9.0923 -9.0920 -9.0920 -9.0866 -8.2816 -8.2816 -8.2283 -8.2283 -8.2208 -8.2141 -4.4580 -4.4580 3.3949 3.3949 5.3730 5.3730 5.8546 5.8619 6.9754 6.9754 9.2903 9.2903 9.5774 9.5823 9.8210 9.8210 k = 0.1860 0.1074 0.0760 ( 2022 PWs) bands (ev): -9.0922 -9.0922 -9.0922 -9.0864 -8.2816 -8.2816 -8.2290 -8.2290 -8.2204 -8.2134 -4.4217 -4.4217 3.2300 3.2300 5.3361 5.3361 5.8164 5.8237 6.9656 6.9656 9.3368 9.3368 9.6224 9.6273 9.9522 9.9522 k = 0.1977 0.1141 0.0807 ( 2025 PWs) bands (ev): -9.0924 -9.0924 -9.0922 -9.0862 -8.2816 -8.2816 -8.2298 -8.2298 -8.2199 -8.2127 -4.3836 -4.3836 3.0665 3.0665 5.2992 5.2992 5.7782 5.7856 6.9515 6.9515 9.3812 9.3812 9.6653 9.6701 10.0898 10.0898 k = 0.2093 0.1208 0.0854 ( 2027 PWs) bands (ev): -9.0926 -9.0926 -9.0921 -9.0860 -8.2816 -8.2816 -8.2305 -8.2305 -8.2193 -8.2120 -4.3435 -4.3435 2.9048 2.9048 5.2624 5.2624 5.7402 5.7476 6.9341 6.9341 9.4233 9.4233 9.7056 9.7104 10.2325 10.2325 k = 0.2209 0.1276 0.0902 ( 2018 PWs) bands (ev): -9.0928 -9.0928 -9.0920 -9.0858 -8.2816 -8.2816 -8.2313 -8.2313 -8.2187 -8.2113 -4.3017 -4.3017 2.7450 2.7450 5.2260 5.2260 5.7027 5.7101 6.9141 6.9141 9.4629 9.4629 9.7429 9.7477 10.3794 10.3794 k = 0.2326 0.1343 0.0949 ( 2021 PWs) bands (ev): -9.0930 -9.0930 -9.0919 -9.0856 -8.2815 -8.2815 -8.2321 -8.2321 -8.2181 -8.2106 -4.2582 -4.2582 2.5875 2.5875 5.1902 5.1902 5.6657 5.6731 6.8921 6.8921 9.4998 9.4998 9.7769 9.7816 10.5297 10.5297 k = 0.2442 0.1410 0.0997 ( 2033 PWs) bands (ev): -9.0933 -9.0933 -9.0918 -9.0854 -8.2815 -8.2815 -8.2328 -8.2328 -8.2175 -8.2100 -4.2132 -4.2132 2.4324 2.4324 5.1550 5.1550 5.6295 5.6368 6.8689 6.8689 9.5337 9.5337 9.8073 9.8119 10.6828 10.6828 k = 0.2558 0.1477 0.1044 ( 2027 PWs) bands (ev): -9.0935 -9.0935 -9.0916 -9.0853 -8.2815 -8.2815 -8.2336 -8.2336 -8.2168 -8.2093 -4.1667 -4.1667 2.2802 2.2802 5.1206 5.1206 5.5943 5.6014 6.8449 6.8449 9.5644 9.5644 9.8338 9.8383 10.8378 10.8378 k = 0.2674 0.1544 0.1092 ( 2021 PWs) bands (ev): -9.0937 -9.0937 -9.0915 -9.0852 -8.2814 -8.2814 -8.2344 -8.2344 -8.2162 -8.2087 -4.1190 -4.1190 2.1310 2.1310 5.0872 5.0872 5.5600 5.5670 6.8204 6.8204 9.5919 9.5919 9.8566 9.8610 10.9940 10.9940 k = 0.2791 0.1611 0.1139 ( 2015 PWs) bands (ev): -9.0940 -9.0940 -9.0913 -9.0851 -8.2814 -8.2814 -8.2351 -8.2351 -8.2155 -8.2080 -4.0702 -4.0702 1.9851 1.9851 5.0548 5.0548 5.5269 5.5337 6.7959 6.7959 9.6160 9.6160 9.8756 9.8798 11.1505 11.1505 k = 0.2907 0.1678 0.1187 ( 2012 PWs) bands (ev): -9.0942 -9.0942 -9.0911 -9.0850 -8.2814 -8.2814 -8.2358 -8.2358 -8.2148 -8.2075 -4.0206 -4.0206 1.8429 1.8429 5.0236 5.0236 5.4950 5.5016 6.7716 6.7716 9.6369 9.6369 9.8910 9.8951 11.3061 11.3061 k = 0.3023 0.1745 0.1234 ( 2018 PWs) bands (ev): -9.0944 -9.0944 -9.0909 -9.0849 -8.2813 -8.2813 -8.2366 -8.2366 -8.2140 -8.2069 -3.9702 -3.9702 1.7045 1.7045 4.9937 4.9937 5.4644 5.4708 6.7478 6.7478 9.6545 9.6545 9.9030 9.9069 11.4591 11.4591 k = 0.3140 0.1813 0.1282 ( 2024 PWs) bands (ev): -9.0947 -9.0947 -9.0907 -9.0849 -8.2813 -8.2813 -8.2373 -8.2373 -8.2133 -8.2064 -3.9195 -3.9195 1.5704 1.5704 4.9651 4.9651 5.4353 5.4414 6.7246 6.7246 9.6692 9.6692 9.9118 9.9156 11.6071 11.6071 k = 0.3256 0.1880 0.1329 ( 2030 PWs) bands (ev): -9.0949 -9.0949 -9.0905 -9.0849 -8.2813 -8.2813 -8.2379 -8.2379 -8.2126 -8.2059 -3.8685 -3.8685 1.4408 1.4408 4.9379 4.9379 5.4076 5.4135 6.7023 6.7023 9.6810 9.6810 9.9179 9.9214 11.7467 11.7467 k = 0.3372 0.1947 0.1377 ( 2030 PWs) bands (ev): -9.0951 -9.0951 -9.0903 -9.0849 -8.2812 -8.2812 -8.2386 -8.2386 -8.2119 -8.2055 -3.8177 -3.8177 1.3162 1.3162 4.9122 4.9122 5.3815 5.3870 6.6809 6.6809 9.6903 9.6903 9.9215 9.9249 11.8727 11.8727 k = 0.3488 0.2014 0.1424 ( 2030 PWs) bands (ev): -9.0953 -9.0953 -9.0901 -9.0849 -8.2812 -8.2812 -8.2392 -8.2392 -8.2112 -8.2050 -3.7674 -3.7674 1.1970 1.1970 4.8880 4.8880 5.3569 5.3622 6.6607 6.6607 9.6974 9.6974 9.9231 9.9263 11.9789 11.9789 k = 0.3605 0.2081 0.1472 ( 2024 PWs) bands (ev): -9.0955 -9.0955 -9.0898 -9.0849 -8.2811 -8.2811 -8.2397 -8.2397 -8.2105 -8.2047 -3.7179 -3.7179 1.0834 1.0834 4.8654 4.8654 5.3340 5.3390 6.6416 6.6416 9.7025 9.7025 9.9230 9.9259 12.0600 12.0600 k = 0.3721 0.2148 0.1519 ( 2024 PWs) bands (ev): -9.0957 -9.0957 -9.0896 -9.0850 -8.2811 -8.2811 -8.2403 -8.2403 -8.2098 -8.2044 -3.6696 -3.6696 0.9761 0.9761 4.8445 4.8445 5.3129 5.3174 6.6239 6.6239 9.7059 9.7059 9.9215 9.9242 12.1146 12.1146 k = 0.3837 0.2215 0.1567 ( 2030 PWs) bands (ev): -9.0959 -9.0959 -9.0893 -9.0851 -8.2811 -8.2811 -8.2408 -8.2408 -8.2091 -8.2041 -3.6231 -3.6231 0.8755 0.8755 4.8252 4.8252 5.2934 5.2976 6.6075 6.6075 9.7080 9.7080 9.9191 9.9216 12.1466 12.1466 k = 0.3953 0.2283 0.1614 ( 2033 PWs) bands (ev): -9.0961 -9.0961 -9.0890 -9.0852 -8.2810 -8.2810 -8.2412 -8.2412 -8.2085 -8.2039 -3.5786 -3.5786 0.7820 0.7820 4.8077 4.8077 5.2757 5.2796 6.5925 6.5925 9.7090 9.7090 9.9159 9.9182 12.1623 12.1623 k = 0.4070 0.2350 0.1661 ( 2039 PWs) bands (ev): -9.0962 -9.0962 -9.0888 -9.0853 -8.2810 -8.2810 -8.2416 -8.2416 -8.2079 -8.2037 -3.5369 -3.5369 0.6963 0.6963 4.7919 4.7919 5.2599 5.2633 6.5790 6.5790 9.7092 9.7092 9.9123 9.9144 12.1676 12.1676 k = 0.4186 0.2417 0.1709 ( 2033 PWs) bands (ev): -9.0964 -9.0964 -9.0885 -9.0854 -8.2810 -8.2810 -8.2420 -8.2420 -8.2073 -8.2036 -3.4983 -3.4983 0.6189 0.6189 4.7779 4.7779 5.2459 5.2489 6.5669 6.5669 9.7088 9.7088 9.9086 9.9104 12.1668 12.1668 k = 0.4302 0.2484 0.1756 ( 2033 PWs) bands (ev): -9.0965 -9.0965 -9.0883 -9.0856 -8.2809 -8.2809 -8.2423 -8.2423 -8.2067 -8.2035 -3.4634 -3.4634 0.5503 0.5503 4.7658 4.7658 5.2337 5.2363 6.5565 6.5565 9.7080 9.7080 9.9050 9.9065 12.1628 12.1628 k = 0.4419 0.2551 0.1804 ( 2033 PWs) bands (ev): -9.0966 -9.0966 -9.0880 -9.0857 -8.2809 -8.2809 -8.2426 -8.2426 -8.2062 -8.2035 -3.4328 -3.4328 0.4911 0.4911 4.7554 4.7554 5.2234 5.2256 6.5476 6.5476 9.7070 9.7070 9.9016 9.9029 12.1575 12.1575 k = 0.4535 0.2618 0.1851 ( 2033 PWs) bands (ev): -9.0967 -9.0967 -9.0877 -9.0859 -8.2809 -8.2809 -8.2428 -8.2428 -8.2057 -8.2036 -3.4069 -3.4069 0.4418 0.4418 4.7470 4.7470 5.2150 5.2168 6.5403 6.5403 9.7060 9.7060 9.8986 9.8997 12.1519 12.1519 k = 0.4651 0.2685 0.1899 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0875 -9.0861 -8.2809 -8.2809 -8.2430 -8.2430 -8.2053 -8.2037 -3.3862 -3.3862 0.4029 0.4029 4.7403 4.7403 5.2085 5.2098 6.5346 6.5346 9.7050 9.7050 9.8962 9.8970 12.1470 12.1470 k = 0.4767 0.2752 0.1946 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0872 -9.0863 -8.2809 -8.2809 -8.2431 -8.2431 -8.2049 -8.2038 -3.3711 -3.3711 0.3748 0.3748 4.7356 4.7356 5.2039 5.2048 6.5305 6.5305 9.7043 9.7043 9.8945 9.8950 12.1432 12.1432 k = 0.4884 0.2820 0.1994 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0870 -9.0865 -8.2809 -8.2809 -8.2432 -8.2432 -8.2046 -8.2040 -3.3620 -3.3620 0.3579 0.3579 4.7328 4.7328 5.2012 5.2017 6.5280 6.5280 9.7038 9.7038 9.8934 9.8937 12.1408 12.1408 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0868 -9.0868 -8.2809 -8.2809 -8.2432 -8.2432 -8.2043 -8.2043 -3.3589 -3.3589 0.3522 0.3522 4.7318 4.7318 5.2005 5.2005 6.5272 6.5272 9.7037 9.7037 9.8932 9.8932 12.1400 12.1400 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0868 -9.0868 -8.2809 -8.2809 -8.2432 -8.2432 -8.2043 -8.2043 -3.3589 -3.3589 0.3522 0.3522 4.7318 4.7318 5.2005 5.2005 6.5272 6.5272 9.7037 9.7037 9.8932 9.8932 12.1400 12.1400 k = 0.5042 0.2766 0.2109 ( 2036 PWs) bands (ev): -9.0980 -9.0958 -9.0867 -9.0867 -8.2830 -8.2788 -8.2439 -8.2426 -8.2043 -8.2043 -3.3579 -3.3579 0.3504 0.3547 4.7160 4.7317 5.1893 5.1896 6.5367 6.5519 9.7040 9.7043 9.8930 9.8930 12.1471 12.1484 k = 0.5083 0.2646 0.2177 ( 2033 PWs) bands (ev): -9.0993 -9.0951 -9.0865 -9.0863 -8.2851 -8.2767 -8.2444 -8.2419 -8.2043 -8.2043 -3.3548 -3.3548 0.3494 0.3580 4.6837 4.7153 5.1578 5.1603 6.5789 6.6075 9.7042 9.7048 9.8939 9.8940 12.1692 12.1718 k = 0.5125 0.2526 0.2245 ( 2027 PWs) bands (ev): -9.1006 -9.0945 -9.0862 -9.0858 -8.2873 -8.2746 -8.2450 -8.2412 -8.2043 -8.2043 -3.3497 -3.3496 0.3491 0.3620 4.6341 4.6817 5.1124 5.1195 6.6481 6.6880 9.7012 9.7020 9.9000 9.9003 12.2044 12.2088 k = 0.5167 0.2406 0.2313 ( 2027 PWs) bands (ev): -9.1020 -9.0942 -9.0858 -9.0850 -8.2894 -8.2726 -8.2455 -8.2405 -8.2044 -8.2044 -3.3425 -3.3425 0.3494 0.3667 4.5672 4.6298 5.0610 5.0738 6.7375 6.7864 9.6917 9.6926 9.9162 9.9168 12.2499 12.2565 k = 0.5208 0.2285 0.2381 ( 2028 PWs) bands (ev): -9.1034 -9.0941 -9.0854 -9.0840 -8.2915 -8.2706 -8.2460 -8.2397 -8.2045 -8.2044 -3.3334 -3.3334 0.3503 0.3720 4.4846 4.5598 5.0098 5.0276 6.8406 6.8967 9.6748 9.6759 9.9450 9.9460 12.3018 12.3114 k = 0.5250 0.2165 0.2449 ( 2022 PWs) bands (ev): -9.1049 -9.0942 -9.0850 -9.0828 -8.2936 -8.2686 -8.2464 -8.2389 -8.2046 -8.2045 -3.3223 -3.3222 0.3516 0.3779 4.3890 4.4738 4.9616 4.9827 6.9518 7.0137 9.6527 9.6543 9.9864 9.9878 12.3552 12.3687 k = 0.5292 0.2045 0.2518 ( 2030 PWs) bands (ev): -9.1063 -9.0943 -9.0845 -9.0816 -8.2956 -8.2668 -8.2468 -8.2382 -8.2047 -8.2046 -3.3093 -3.3091 0.3533 0.3842 4.2838 4.3756 4.9164 4.9392 7.0669 7.1333 9.6288 9.6313 10.0392 10.0409 12.4041 12.4224 k = 0.5333 0.1925 0.2586 ( 2030 PWs) bands (ev): -9.1076 -9.0945 -9.0840 -9.0804 -8.2976 -8.2650 -8.2471 -8.2374 -8.2049 -8.2047 -3.2944 -3.2942 0.3551 0.3908 4.1721 4.2692 4.8735 4.8967 7.1820 7.2521 9.6066 9.6108 10.1019 10.1038 12.4416 12.4654 k = 0.5375 0.1804 0.2654 ( 2028 PWs) bands (ev): -9.1090 -9.0947 -9.0835 -9.0792 -8.2996 -8.2633 -8.2474 -8.2366 -8.2050 -8.2048 -3.2777 -3.2773 0.3570 0.3975 4.0568 4.1580 4.8316 4.8544 7.2938 7.3668 9.5896 9.5962 10.1734 10.1754 12.4609 12.4899 k = 0.5417 0.1684 0.2722 ( 2026 PWs) bands (ev): -9.1103 -9.0950 -9.0830 -9.0779 -8.3015 -8.2617 -8.2476 -8.2358 -8.2052 -8.2048 -3.2594 -3.2588 0.3587 0.4041 3.9399 4.0447 4.7900 4.8122 7.3994 7.4742 9.5806 9.5910 10.2529 10.2550 12.4567 12.4891 k = 0.5458 0.1564 0.2790 ( 2028 PWs) bands (ev): -9.1116 -9.0952 -9.0826 -9.0767 -8.3033 -8.2602 -8.2476 -8.2350 -8.2054 -8.2049 -3.2393 -3.2385 0.3600 0.4105 3.8232 3.9313 4.7484 4.7697 7.4960 7.5715 9.5825 9.5982 10.3396 10.3416 12.4271 12.4593 k = 0.5500 0.1443 0.2858 ( 2021 PWs) bands (ev): -9.1128 -9.0955 -9.0821 -9.0756 -8.3051 -8.2590 -8.2475 -8.2342 -8.2056 -8.2050 -3.2177 -3.2167 0.3607 0.4164 3.7082 3.8194 4.7064 4.7268 7.5809 7.6560 9.5975 9.6204 10.4329 10.4347 12.3736 12.4014 k = 0.5542 0.1323 0.2926 ( 2023 PWs) bands (ev): -9.1140 -9.0958 -9.0816 -9.0745 -8.3068 -8.2580 -8.2472 -8.2335 -8.2059 -8.2051 -3.1947 -3.1933 0.3605 0.4214 3.5959 3.7104 4.6641 4.6837 7.6524 7.7257 9.6273 9.6597 10.5322 10.5336 12.3008 12.3201 k = 0.5583 0.1203 0.2994 ( 2019 PWs) bands (ev): -9.1151 -9.0960 -9.0811 -9.0734 -8.3084 -8.2572 -8.2467 -8.2327 -8.2061 -8.2051 -3.1704 -3.1686 0.3592 0.4254 3.4874 3.6052 4.6216 4.6404 7.7092 7.7797 9.6723 9.7169 10.6368 10.6377 12.2138 12.2216 k = 0.5625 0.1083 0.3062 ( 2017 PWs) bands (ev): -9.1162 -9.0963 -9.0806 -9.0724 -8.3099 -8.2567 -8.2460 -8.2320 -8.2064 -8.2051 -3.1448 -3.1427 0.3565 0.4280 3.3837 3.5048 4.5790 4.5971 7.7512 7.8179 9.7319 9.7912 10.7461 10.7463 12.1117 12.1182 k = 0.5667 0.0962 0.3130 ( 2021 PWs) bands (ev): -9.1172 -9.0965 -9.0802 -9.0715 -8.3113 -8.2564 -8.2451 -8.2313 -8.2067 -8.2052 -3.1183 -3.1157 0.3522 0.4290 3.2856 3.4100 4.5364 4.5540 7.7792 7.8415 9.8038 9.8809 10.8582 10.8600 11.9960 12.0187 k = 0.5708 0.0842 0.3198 ( 2031 PWs) bands (ev): -9.1181 -9.0968 -9.0797 -9.0706 -8.3127 -8.2564 -8.2441 -8.2306 -8.2069 -8.2052 -3.0909 -3.0879 0.3460 0.4279 3.1938 3.3215 4.4942 4.5113 7.7946 7.8524 9.8845 9.9826 10.9727 10.9772 11.8797 11.9204 k = 0.5750 0.0722 0.3266 ( 2031 PWs) bands (ev): -9.1190 -9.0970 -9.0793 -9.0698 -8.3139 -8.2565 -8.2430 -8.2300 -8.2072 -8.2052 -3.0629 -3.0593 0.3378 0.4247 3.1091 3.2400 4.4524 4.4692 7.7994 7.8527 9.9692 10.0916 11.0879 11.0972 11.7685 11.8283 k = 0.5792 0.0601 0.3334 ( 2031 PWs) bands (ev): -9.1198 -9.0972 -9.0789 -9.0691 -8.3150 -8.2567 -8.2418 -8.2294 -8.2075 -8.2051 -3.0345 -3.0303 0.3274 0.4189 3.0322 3.1661 4.4113 4.4278 7.7956 7.8448 10.0514 10.2017 11.2003 11.2191 11.6710 11.7483 k = 0.5833 0.0481 0.3402 ( 2025 PWs) bands (ev): -9.1205 -9.0974 -9.0785 -9.0684 -8.3160 -8.2571 -8.2405 -8.2288 -8.2078 -8.2051 -3.0059 -3.0012 0.3148 0.4106 2.9635 3.1001 4.3710 4.3873 7.7853 7.8306 10.1234 10.3039 11.3002 11.3413 11.6041 11.6880 k = 0.5875 0.0361 0.3470 ( 2034 PWs) bands (ev): -9.1212 -9.0977 -9.0782 -9.0679 -8.3169 -8.2575 -8.2393 -8.2283 -8.2081 -8.2050 -2.9775 -2.9721 0.3001 0.3996 2.9035 3.0425 4.3318 4.3480 7.7701 7.8119 10.1768 10.3855 11.3654 11.4607 11.6009 11.6571 k = 0.5917 0.0241 0.3538 ( 2032 PWs) bands (ev): -9.1218 -9.0979 -9.0778 -9.0674 -8.3177 -8.2579 -8.2381 -8.2278 -8.2084 -8.2050 -2.9495 -2.9435 0.2833 0.3860 2.8526 2.9935 4.2938 4.3100 7.7515 7.7903 10.2036 10.4314 11.3984 11.5654 11.6720 11.6731 k = 0.5958 0.0120 0.3606 ( 2031 PWs) bands (ev): -9.1223 -9.0980 -9.0775 -9.0670 -8.3183 -8.2585 -8.2369 -8.2274 -8.2087 -8.2049 -2.9223 -2.9157 0.2649 0.3702 2.8109 2.9532 4.2572 4.2734 7.7308 7.7668 10.1998 10.4310 11.4482 11.6383 11.7548 11.7767 k = 0.6000 0.0000 0.3674 ( 2041 PWs) bands (ev): -9.1227 -9.0982 -9.0772 -9.0666 -8.3189 -8.2591 -8.2357 -8.2270 -8.2089 -8.2048 -2.8963 -2.8891 0.2452 0.3524 2.7785 2.9217 4.2221 4.2384 7.7088 7.7424 10.1660 10.3865 11.5343 11.7109 11.8671 11.8907 k = 0.6042-0.0120 0.3742 ( 2043 PWs) bands (ev): -9.1231 -9.0984 -9.0770 -9.0664 -8.3193 -8.2597 -8.2345 -8.2266 -8.2092 -8.2047 -2.8718 -2.8641 0.2249 0.3332 2.7552 2.8988 4.1887 4.2052 7.6864 7.7179 10.1073 10.3099 11.6499 11.8007 11.9837 12.0058 k = 0.6083-0.0241 0.3810 ( 2042 PWs) bands (ev): -9.1233 -9.0986 -9.0767 -9.0662 -8.3196 -8.2604 -8.2334 -8.2263 -8.2095 -8.2046 -2.8494 -2.8411 0.2046 0.3134 2.7409 2.8843 4.1571 4.1738 7.6643 7.6938 10.0298 10.2132 11.7826 11.9034 12.0986 12.1182 k = 0.6125-0.0361 0.3878 ( 2046 PWs) bands (ev): -9.1236 -9.0988 -9.0765 -9.0661 -8.3198 -8.2611 -8.2323 -8.2260 -8.2098 -8.2045 -2.8294 -2.8207 0.1851 0.2937 2.7351 2.8779 4.1274 4.1444 7.6428 7.6707 9.9393 10.1050 11.9205 12.0094 12.2089 12.2257 k = 0.6167-0.0481 0.3946 ( 2048 PWs) bands (ev): -9.1237 -9.0990 -9.0763 -9.0660 -8.3198 -8.2619 -8.2313 -8.2258 -8.2101 -8.2044 -2.8124 -2.8034 0.1673 0.2751 2.7375 2.8792 4.0997 4.1171 7.6225 7.6489 9.8402 9.9904 12.0522 12.1086 12.3125 12.3261 k = 0.6208-0.0601 0.4014 ( 2042 PWs) bands (ev): -9.1237 -9.0991 -9.0762 -9.0660 -8.3198 -8.2627 -8.2303 -8.2255 -8.2103 -8.2044 -2.7988 -2.7895 0.1521 0.2585 2.7474 2.8877 4.0741 4.0920 7.6035 7.6286 9.7359 9.8729 12.1652 12.1915 12.4062 12.4169 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.6181-0.0682 0.4196 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0760 -9.0661 -8.3197 -8.2634 -8.2294 -8.2253 -8.2106 -8.2044 -2.7885 -2.7791 0.1402 0.2448 2.7654 2.9042 4.0440 4.0636 7.5963 7.6216 9.6292 9.7551 12.2201 12.2490 12.4274 12.4931 k = 0.6111-0.0642 0.4309 ( 2045 PWs) bands (ev): -9.1238 -9.0992 -9.0760 -9.0661 -8.3198 -8.2631 -8.2296 -8.2253 -8.2106 -8.2044 -2.7872 -2.7777 0.1399 0.2447 2.7680 2.9073 4.0245 4.0469 7.6266 7.6555 9.6310 9.7573 12.1581 12.2214 12.3260 12.4397 k = 0.6042-0.0601 0.4423 ( 2049 PWs) bands (ev): -9.1240 -9.0991 -9.0759 -9.0661 -8.3201 -8.2626 -8.2298 -8.2253 -8.2105 -8.2044 -2.7849 -2.7754 0.1392 0.2446 2.7725 2.9126 3.9933 4.0195 7.6765 7.7106 9.6340 9.7611 12.0666 12.1717 12.2065 12.3569 k = 0.5972-0.0561 0.4536 ( 2045 PWs) bands (ev): -9.1242 -9.0990 -9.0757 -9.0661 -8.3205 -8.2620 -8.2302 -8.2252 -8.2105 -8.2044 -2.7819 -2.7722 0.1384 0.2444 2.7787 2.9200 3.9522 3.9823 7.7451 7.7854 9.6381 9.7663 11.9531 12.0770 12.1051 12.2609 k = 0.5903-0.0521 0.4649 ( 2049 PWs) bands (ev): -9.1244 -9.0989 -9.0755 -9.0661 -8.3210 -8.2612 -8.2307 -8.2251 -8.2105 -8.2045 -2.7780 -2.7682 0.1372 0.2441 2.7865 2.9294 3.9028 3.9367 7.8310 7.8780 9.6434 9.7728 11.8260 11.9429 12.0239 12.1571 k = 0.5833-0.0481 0.4763 ( 2043 PWs) bands (ev): -9.1247 -9.0987 -9.0753 -9.0661 -8.3215 -8.2603 -8.2312 -8.2251 -8.2104 -8.2045 -2.7734 -2.7634 0.1358 0.2437 2.7960 2.9409 3.8471 3.8843 7.9325 7.9867 9.6497 9.7806 11.6914 11.8052 11.9325 12.0478 k = 0.5764-0.0441 0.4876 ( 2043 PWs) bands (ev): -9.1250 -9.0986 -9.0751 -9.0662 -8.3220 -8.2592 -8.2318 -8.2250 -8.2103 -8.2046 -2.7683 -2.7580 0.1341 0.2431 2.8069 2.9545 3.7868 3.8268 8.0476 8.1098 9.6570 9.7895 11.5532 11.6658 11.8340 11.9344 k = 0.5694-0.0401 0.4990 ( 2039 PWs) bands (ev): -9.1253 -9.0984 -9.0749 -9.0662 -8.3226 -8.2581 -8.2325 -8.2249 -8.2103 -8.2047 -2.7626 -2.7521 0.1320 0.2423 2.8192 2.9700 3.7239 3.7657 8.1743 8.2454 9.6653 9.7994 11.4133 11.5259 11.7309 11.8185 k = 0.5625-0.0361 0.5103 ( 2032 PWs) bands (ev): -9.1256 -9.0982 -9.0746 -9.0662 -8.3232 -8.2569 -8.2333 -8.2249 -8.2102 -8.2048 -2.7565 -2.7457 0.1297 0.2413 2.8327 2.9876 3.6599 3.7026 8.3106 8.3921 9.6746 9.8100 11.2730 11.3865 11.6256 11.7017 k = 0.5556-0.0321 0.5217 ( 2032 PWs) bands (ev): -9.1260 -9.0981 -9.0744 -9.0662 -8.3238 -8.2556 -8.2341 -8.2248 -8.2101 -8.2048 -2.7502 -2.7391 0.1271 0.2400 2.8472 3.0070 3.5965 3.6390 8.4540 8.5482 9.6852 9.8211 11.1333 11.2482 11.5200 11.5857 k = 0.5486-0.0281 0.5330 ( 2028 PWs) bands (ev): -9.1263 -9.0980 -9.0741 -9.0662 -8.3244 -8.2543 -8.2350 -8.2248 -8.2100 -8.2049 -2.7438 -2.7325 0.1242 0.2385 2.8623 3.0284 3.5351 3.5762 8.6018 8.7121 9.6975 9.8323 10.9945 11.1116 11.4160 11.4722 k = 0.5417-0.0241 0.5443 ( 2034 PWs) bands (ev): -9.1265 -9.0978 -9.0739 -9.0662 -8.3249 -8.2530 -8.2359 -8.2247 -8.2099 -8.2050 -2.7375 -2.7259 0.1212 0.2368 2.8776 3.0516 3.4773 3.5151 8.7507 8.8820 9.7126 9.8436 10.8571 10.9773 11.3156 11.3633 k = 0.5347-0.0200 0.5557 ( 2030 PWs) bands (ev): -9.1268 -9.0977 -9.0737 -9.0662 -8.3253 -8.2517 -8.2369 -8.2247 -8.2098 -8.2051 -2.7316 -2.7197 0.1180 0.2350 2.8926 3.0766 3.4244 3.4570 8.8956 9.0559 9.7324 9.8549 10.7214 10.8459 11.2206 11.2612 k = 0.5278-0.0160 0.5670 ( 2023 PWs) bands (ev): -9.1270 -9.0976 -9.0735 -9.0662 -8.3257 -8.2504 -8.2379 -8.2246 -8.2097 -8.2051 -2.7261 -2.7140 0.1150 0.2331 2.9064 3.1033 3.3777 3.4030 9.0295 9.2303 9.7603 9.8671 10.5876 10.7184 11.1333 11.1683 k = 0.5208-0.0120 0.5784 ( 2022 PWs) bands (ev): -9.1272 -9.0976 -9.0734 -9.0662 -8.3261 -8.2492 -8.2388 -8.2246 -8.2096 -8.2052 -2.7215 -2.7091 0.1122 0.2312 2.9182 3.1315 3.3371 3.3551 9.1426 9.3989 9.8004 9.8840 10.4559 10.5967 11.0568 11.0877 k = 0.5139-0.0080 0.5897 ( 2024 PWs) bands (ev): -9.1273 -9.0975 -9.0733 -9.0661 -8.3263 -8.2482 -8.2397 -8.2246 -8.2096 -8.2052 -2.7178 -2.7053 0.1098 0.2296 2.9271 3.1611 3.2986 3.3198 9.2249 9.5464 9.8557 9.9156 10.3269 10.4851 10.9956 11.0221 k = 0.5069-0.0040 0.6010 ( 2036 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3264 -8.2475 -8.2403 -8.2246 -8.2096 -8.2053 -2.7154 -2.7028 0.1082 0.2285 2.9323 3.1915 3.2608 3.3004 9.2715 9.6410 9.9338 9.9671 10.2021 10.3953 10.9557 10.9755 k = 0.5000 0.0000 0.6124 ( 2048 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3265 -8.2472 -8.2405 -8.2246 -8.2096 -8.2053 -2.7145 -2.7019 0.1075 0.2280 2.9339 3.2150 3.2346 3.2943 9.2855 9.6675 9.9839 10.0289 10.1107 10.3570 10.9426 10.9560 k = 0.5000 0.0000 0.6124 ( 2048 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3265 -8.2472 -8.2405 -8.2246 -8.2096 -8.2053 -2.7145 -2.7019 0.1075 0.2280 2.9339 3.2150 3.2346 3.2943 9.2855 9.6675 9.9839 10.0289 10.1107 10.3570 10.9426 10.9560 k = 0.5000 0.0082 0.6007 ( 2036 PWs) bands (ev): -9.1274 -9.0975 -9.0732 -9.0661 -8.3264 -8.2472 -8.2406 -8.2246 -8.2095 -8.2053 -2.7163 -2.7037 0.1093 0.2297 2.9289 3.1786 3.2728 3.3057 9.2765 9.6487 9.9804 10.0395 10.1169 10.3536 10.9468 10.9793 k = 0.5000 0.0165 0.5890 ( 2026 PWs) bands (ev): -9.1273 -9.0975 -9.0733 -9.0661 -8.3263 -8.2472 -8.2407 -8.2247 -8.2095 -8.2053 -2.7216 -2.7091 0.1145 0.2348 2.9155 3.1378 3.3154 3.3418 9.2507 9.6001 9.9697 10.0477 10.1480 10.3494 10.9734 11.0311 k = 0.5000 0.0247 0.5774 ( 2024 PWs) bands (ev): -9.1272 -9.0975 -9.0735 -9.0661 -8.3261 -8.2473 -8.2409 -8.2247 -8.2094 -8.2053 -2.7302 -2.7181 0.1231 0.2431 2.8976 3.1012 3.3581 3.3946 9.2113 9.5350 9.9450 10.0391 10.2029 10.3596 11.0224 11.1017 k = 0.5000 0.0330 0.5657 ( 2022 PWs) bands (ev): -9.1270 -9.0975 -9.0737 -9.0662 -8.3258 -8.2473 -8.2411 -8.2249 -8.2094 -8.2053 -2.7422 -2.7304 0.1346 0.2543 2.8786 3.0698 3.4072 3.4534 9.1619 9.4616 9.9062 10.0143 10.2661 10.3973 11.0889 11.1858 k = 0.5000 0.0412 0.5541 ( 2028 PWs) bands (ev): -9.1267 -9.0975 -9.0739 -9.0662 -8.3254 -8.2474 -8.2414 -8.2250 -8.2093 -8.2053 -2.7571 -2.7458 0.1487 0.2679 2.8614 3.0440 3.4624 3.5157 9.1055 9.3840 9.8591 9.9740 10.3331 10.4610 11.1683 11.2797 k = 0.5000 0.0495 0.5424 ( 2032 PWs) bands (ev): -9.1264 -9.0974 -9.0742 -9.0663 -8.3250 -8.2475 -8.2418 -8.2252 -8.2091 -8.2054 -2.7748 -2.7641 0.1650 0.2834 2.8479 3.0245 3.5223 3.5805 9.0443 9.3042 9.8082 9.9238 10.4046 10.5408 11.2570 11.3808 k = 0.5000 0.0577 0.5307 ( 2032 PWs) bands (ev): -9.1260 -9.0974 -9.0745 -9.0664 -8.3244 -8.2477 -8.2423 -8.2254 -8.2090 -8.2054 -2.7951 -2.7849 0.1829 0.3004 2.8394 3.0115 3.5858 3.6472 8.9798 9.2231 9.7564 9.8688 10.4806 10.6290 11.3524 11.4873 k = 0.5000 0.0660 0.5191 ( 2034 PWs) bands (ev): -9.1256 -9.0974 -9.0749 -9.0665 -8.3238 -8.2478 -8.2428 -8.2257 -8.2088 -8.2054 -2.8175 -2.8080 0.2019 0.3181 2.8370 3.0055 3.6521 3.7156 8.9128 9.1411 9.7057 9.8125 10.5598 10.7215 11.4524 11.5979 k = 0.5000 0.0742 0.5074 ( 2034 PWs) bands (ev): -9.1251 -9.0973 -9.0753 -9.0667 -8.3231 -8.2480 -8.2433 -8.2260 -8.2087 -8.2054 -2.8418 -2.8330 0.2214 0.3359 2.8416 3.0071 3.7204 3.7853 8.8441 9.0584 9.6574 9.7573 10.6406 10.8158 11.5551 11.7112 k = 0.5000 0.0825 0.4957 ( 2034 PWs) bands (ev): -9.1246 -9.0973 -9.0757 -9.0669 -8.3223 -8.2481 -8.2439 -8.2263 -8.2085 -8.2055 -2.8676 -2.8595 0.2409 0.3533 2.8538 3.0164 3.7902 3.8558 8.7737 8.9751 9.6124 9.7044 10.7209 10.9099 11.6584 11.8259 k = 0.5000 0.0907 0.4841 ( 2034 PWs) bands (ev): -9.1240 -9.0972 -9.0761 -9.0672 -8.3215 -8.2483 -8.2446 -8.2267 -8.2083 -8.2055 -2.8947 -2.8873 0.2598 0.3697 2.8740 3.0337 3.8611 3.9268 8.7019 8.8910 9.5712 9.6549 10.7987 11.0017 11.7595 11.9399 k = 0.5000 0.0990 0.4724 ( 2032 PWs) bands (ev): -9.1234 -9.0972 -9.0765 -9.0675 -8.3205 -8.2485 -8.2453 -8.2271 -8.2081 -8.2055 -2.9227 -2.9160 0.2777 0.3846 2.9026 3.0594 3.9326 3.9981 8.6285 8.8060 9.5345 9.6096 10.8712 11.0880 11.8542 12.0499 k = 0.5000 0.1072 0.4607 ( 2034 PWs) bands (ev): -9.1227 -9.0971 -9.0770 -9.0679 -8.3195 -8.2488 -8.2460 -8.2276 -8.2078 -8.2055 -2.9514 -2.9453 0.2942 0.3977 2.9397 3.0935 4.0043 4.0692 8.5534 8.7199 9.5025 9.5690 10.9348 11.1643 11.9361 12.1496 k = 0.5000 0.1155 0.4491 ( 2028 PWs) bands (ev): -9.1219 -9.0970 -9.0775 -9.0684 -8.3184 -8.2491 -8.2467 -8.2281 -8.2076 -8.2055 -2.9804 -2.9750 0.3090 0.4088 2.9856 3.1360 4.0758 4.1399 8.4763 8.6325 9.4755 9.5335 10.9849 11.2233 11.9971 12.2270 k = 0.5000 0.1237 0.4374 ( 2028 PWs) bands (ev): -9.1211 -9.0969 -9.0780 -9.0689 -8.3172 -8.2495 -8.2473 -8.2287 -8.2074 -8.2055 -3.0094 -3.0047 0.3220 0.4175 3.0400 3.1869 4.1467 4.2098 8.3969 8.5434 9.4539 9.5036 11.0156 11.2544 12.0342 12.2675 k = 0.5000 0.1320 0.4257 ( 2028 PWs) bands (ev): -9.1202 -9.0967 -9.0784 -9.0696 -8.3159 -8.2501 -8.2478 -8.2293 -8.2071 -8.2055 -3.0384 -3.0343 0.3330 0.4240 3.1027 3.2459 4.2168 4.2786 8.3150 8.4524 9.4376 9.4795 11.0209 11.2466 12.0594 12.2728 k = 0.5000 0.1402 0.4141 ( 2026 PWs) bands (ev): -9.1193 -9.0966 -9.0789 -9.0702 -8.3146 -8.2509 -8.2481 -8.2299 -8.2069 -8.2055 -3.0669 -3.0634 0.3420 0.4281 3.1736 3.3129 4.2856 4.3459 8.2301 8.3591 9.4269 9.4614 10.9968 11.1957 12.0926 12.2678 k = 0.5000 0.1485 0.4024 ( 2026 PWs) bands (ev): -9.1183 -9.0964 -9.0794 -9.0710 -8.3132 -8.2519 -8.2483 -8.2305 -8.2067 -8.2054 -3.0949 -3.0919 0.3491 0.4302 3.2520 3.3874 4.3529 4.4116 8.1419 8.2632 9.4217 9.4494 10.9437 11.1088 12.1422 12.2734 k = 0.5000 0.1567 0.3908 ( 2024 PWs) bands (ev): -9.1173 -9.0962 -9.0800 -9.0718 -8.3117 -8.2530 -8.2484 -8.2312 -8.2064 -8.2054 -3.1222 -3.1196 0.3543 0.4302 3.3375 3.4690 4.4185 4.4753 8.0501 8.1644 9.4220 9.4435 10.8666 10.9989 12.2051 12.2961 k = 0.5000 0.1650 0.3791 ( 2026 PWs) bands (ev): -9.1163 -9.0960 -9.0805 -9.0727 -8.3101 -8.2543 -8.2484 -8.2320 -8.2062 -8.2053 -3.1485 -3.1464 0.3579 0.4286 3.4296 3.5570 4.4820 4.5368 7.9545 8.0622 9.4277 9.4437 10.7730 10.8774 12.2738 12.3333 k = 0.5000 0.1732 0.3674 ( 2024 PWs) bands (ev): -9.1151 -9.0958 -9.0810 -9.0737 -8.3085 -8.2556 -8.2484 -8.2327 -8.2060 -8.2052 -3.1737 -3.1720 0.3601 0.4255 3.5274 3.6509 4.5433 4.5959 7.8548 7.9566 9.4386 9.4499 10.6702 10.7524 12.3405 12.3796 k = 0.5000 0.1815 0.3558 ( 2022 PWs) bands (ev): -9.1140 -9.0956 -9.0815 -9.0747 -8.3068 -8.2570 -8.2483 -8.2335 -8.2057 -8.2052 -3.1977 -3.1964 0.3610 0.4212 3.6303 3.7500 4.6022 4.6524 7.7510 7.8473 9.4545 9.4617 10.5641 10.6290 12.3981 12.4289 k = 0.5000 0.1897 0.3441 ( 2022 PWs) bands (ev): -9.1128 -9.0954 -9.0820 -9.0758 -8.3050 -8.2584 -8.2482 -8.2343 -8.2055 -8.2051 -3.2204 -3.2193 0.3609 0.4159 3.7374 3.8532 4.6586 4.7063 7.6431 7.7343 9.4748 9.4791 10.4591 10.5108 12.4422 12.4728 k = 0.5000 0.1979 0.3324 ( 2022 PWs) bands (ev): -9.1115 -9.0951 -9.0825 -9.0769 -8.3032 -8.2600 -8.2480 -8.2350 -8.2053 -8.2050 -3.2416 -3.2408 0.3600 0.4099 3.8477 3.9597 4.7125 4.7576 7.5315 7.6179 9.4984 9.5019 10.3586 10.3999 12.4706 12.5023 k = 0.5000 0.2062 0.3208 ( 2022 PWs) bands (ev): -9.1102 -9.0949 -9.0830 -9.0781 -8.3014 -8.2616 -8.2478 -8.2358 -8.2052 -8.2049 -3.2613 -3.2607 0.3586 0.4035 3.9600 4.0680 4.7642 4.8065 7.4167 7.4985 9.5249 9.5292 10.2646 10.2977 12.4809 12.5117 k = 0.5000 0.2144 0.3091 ( 2024 PWs) bands (ev): -9.1089 -9.0947 -9.0835 -9.0793 -8.2994 -8.2633 -8.2475 -8.2366 -8.2050 -8.2048 -3.2793 -3.2790 0.3569 0.3969 4.0730 4.1768 4.8139 4.8532 7.2994 7.3766 9.5540 9.5596 10.1790 10.2055 12.4718 12.4993 k = 0.5000 0.2227 0.2974 ( 2022 PWs) bands (ev): -9.1075 -9.0944 -9.0840 -9.0805 -8.2975 -8.2650 -8.2472 -8.2374 -8.2048 -8.2047 -3.2957 -3.2954 0.3550 0.3903 4.1849 4.2838 4.8622 4.8982 7.1808 7.2534 9.5849 9.5913 10.1027 10.1240 12.4445 12.4673 k = 0.5000 0.2309 0.2858 ( 2018 PWs) bands (ev): -9.1062 -9.0943 -9.0845 -9.0817 -8.2955 -8.2669 -8.2468 -8.2382 -8.2047 -8.2046 -3.3103 -3.3101 0.3532 0.3837 4.2935 4.3865 4.9102 4.9423 7.0625 7.1301 9.6161 9.6228 10.0370 10.0537 12.4030 12.4208 k = 0.5000 0.2392 0.2741 ( 2030 PWs) bands (ev): -9.1048 -9.0941 -9.0850 -9.0829 -8.2934 -8.2687 -8.2464 -8.2390 -8.2046 -8.2045 -3.3230 -3.3230 0.3515 0.3775 4.3961 4.4814 4.9589 4.9862 6.9465 7.0087 9.6457 9.6520 9.9828 9.9956 12.3527 12.3660 k = 0.5000 0.2474 0.2624 ( 2028 PWs) bands (ev): -9.1034 -9.0941 -9.0854 -9.0840 -8.2914 -8.2707 -8.2460 -8.2397 -8.2045 -8.2044 -3.3339 -3.3339 0.3502 0.3718 4.4895 4.5646 5.0094 5.0309 6.8356 6.8917 9.6712 9.6765 9.9413 9.9504 12.2992 12.3088 k = 0.5000 0.2557 0.2508 ( 2030 PWs) bands (ev): -9.1020 -9.0942 -9.0858 -9.0850 -8.2893 -8.2726 -8.2455 -8.2405 -8.2044 -8.2044 -3.3429 -3.3428 0.3494 0.3665 4.5704 4.6326 5.0618 5.0764 6.7337 6.7824 9.6900 9.6938 9.9135 9.9191 12.2479 12.2545 k = 0.5000 0.2639 0.2391 ( 2028 PWs) bands (ev): -9.1006 -9.0945 -9.0862 -9.0858 -8.2872 -8.2747 -8.2450 -8.2412 -8.2043 -8.2043 -3.3499 -3.3498 0.3491 0.3619 4.6358 4.6831 5.1134 5.1212 6.6457 6.6853 9.7006 9.7026 9.8987 9.9014 12.2031 12.2075 k = 0.5000 0.2722 0.2275 ( 2032 PWs) bands (ev): -9.0993 -9.0951 -9.0865 -9.0863 -8.2851 -8.2767 -8.2444 -8.2419 -8.2043 -8.2043 -3.3549 -3.3549 0.3494 0.3579 4.6845 4.7158 5.1584 5.1612 6.5777 6.6061 9.7041 9.7049 9.8935 9.8943 12.1686 12.1712 k = 0.5000 0.2804 0.2158 ( 2036 PWs) bands (ev): -9.0980 -9.0959 -9.0867 -9.0867 -8.2830 -8.2788 -8.2439 -8.2426 -8.2043 -8.2043 -3.3579 -3.3579 0.3504 0.3547 4.7162 4.7318 5.1895 5.1899 6.5365 6.5514 9.7040 9.7043 9.8929 9.8930 12.1470 12.1482 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0868 -9.0868 -8.2809 -8.2809 -8.2432 -8.2432 -8.2043 -8.2043 -3.3589 -3.3589 0.3522 0.3522 4.7318 4.7318 5.2005 5.2005 6.5272 6.5272 9.7037 9.7037 9.8932 9.8932 12.1400 12.1400 k = 0.5000 0.2887 0.2041 ( 2036 PWs) bands (ev): -9.0968 -9.0968 -9.0868 -9.0868 -8.2809 -8.2809 -8.2432 -8.2432 -8.2043 -8.2043 -3.3589 -3.3589 0.3522 0.3522 4.7318 4.7318 5.2005 5.2005 6.5272 6.5272 9.7037 9.7037 9.8932 9.8932 12.1400 12.1400 k = 0.4958 0.2863 0.2177 ( 2036 PWs) bands (ev): -9.0980 -9.0958 -9.0867 -9.0867 -8.2830 -8.2788 -8.2439 -8.2426 -8.2043 -8.2043 -3.3579 -3.3579 0.3504 0.3547 4.7160 4.7317 5.1893 5.1896 6.5367 6.5519 9.7040 9.7043 9.8930 9.8930 12.1471 12.1484 k = 0.4917 0.2839 0.2313 ( 2033 PWs) bands (ev): -9.0993 -9.0951 -9.0865 -9.0863 -8.2851 -8.2767 -8.2444 -8.2419 -8.2043 -8.2043 -3.3548 -3.3548 0.3494 0.3580 4.6837 4.7153 5.1578 5.1603 6.5789 6.6075 9.7042 9.7048 9.8939 9.8940 12.1692 12.1718 k = 0.4875 0.2815 0.2449 ( 2027 PWs) bands (ev): -9.1006 -9.0945 -9.0862 -9.0858 -8.2873 -8.2746 -8.2450 -8.2412 -8.2043 -8.2043 -3.3497 -3.3496 0.3491 0.3620 4.6341 4.6817 5.1124 5.1195 6.6481 6.6880 9.7012 9.7020 9.9000 9.9003 12.2044 12.2088 k = 0.4833 0.2791 0.2586 ( 2027 PWs) bands (ev): -9.1020 -9.0942 -9.0858 -9.0850 -8.2894 -8.2726 -8.2455 -8.2405 -8.2044 -8.2044 -3.3425 -3.3425 0.3494 0.3667 4.5672 4.6298 5.0610 5.0738 6.7375 6.7864 9.6917 9.6926 9.9162 9.9168 12.2499 12.2565 k = 0.4792 0.2766 0.2722 ( 2028 PWs) bands (ev): -9.1034 -9.0941 -9.0854 -9.0840 -8.2915 -8.2706 -8.2460 -8.2397 -8.2045 -8.2044 -3.3334 -3.3334 0.3503 0.3720 4.4846 4.5598 5.0098 5.0276 6.8406 6.8967 9.6748 9.6759 9.9450 9.9460 12.3018 12.3114 k = 0.4750 0.2742 0.2858 ( 2022 PWs) bands (ev): -9.1049 -9.0942 -9.0850 -9.0828 -8.2936 -8.2686 -8.2464 -8.2389 -8.2046 -8.2045 -3.3223 -3.3222 0.3516 0.3779 4.3890 4.4738 4.9616 4.9827 6.9518 7.0137 9.6527 9.6543 9.9864 9.9878 12.3552 12.3687 k = 0.4708 0.2718 0.2994 ( 2030 PWs) bands (ev): -9.1063 -9.0943 -9.0845 -9.0816 -8.2956 -8.2668 -8.2468 -8.2382 -8.2047 -8.2046 -3.3093 -3.3091 0.3533 0.3842 4.2838 4.3756 4.9164 4.9392 7.0669 7.1333 9.6288 9.6313 10.0392 10.0409 12.4041 12.4224 k = 0.4667 0.2694 0.3130 ( 2030 PWs) bands (ev): -9.1076 -9.0945 -9.0840 -9.0804 -8.2976 -8.2650 -8.2471 -8.2374 -8.2049 -8.2047 -3.2944 -3.2942 0.3551 0.3908 4.1721 4.2692 4.8735 4.8967 7.1820 7.2521 9.6066 9.6108 10.1019 10.1038 12.4416 12.4654 k = 0.4625 0.2670 0.3266 ( 2028 PWs) bands (ev): -9.1090 -9.0947 -9.0835 -9.0792 -8.2996 -8.2633 -8.2474 -8.2366 -8.2050 -8.2048 -3.2777 -3.2773 0.3570 0.3975 4.0568 4.1580 4.8316 4.8544 7.2938 7.3668 9.5896 9.5962 10.1734 10.1754 12.4609 12.4899 k = 0.4583 0.2646 0.3402 ( 2026 PWs) bands (ev): -9.1103 -9.0950 -9.0830 -9.0779 -8.3015 -8.2617 -8.2476 -8.2358 -8.2052 -8.2048 -3.2594 -3.2588 0.3587 0.4041 3.9399 4.0447 4.7900 4.8122 7.3994 7.4742 9.5806 9.5910 10.2529 10.2550 12.4567 12.4891 k = 0.4542 0.2622 0.3538 ( 2028 PWs) bands (ev): -9.1116 -9.0952 -9.0826 -9.0767 -8.3033 -8.2602 -8.2476 -8.2350 -8.2054 -8.2049 -3.2393 -3.2385 0.3600 0.4105 3.8232 3.9313 4.7484 4.7697 7.4960 7.5715 9.5825 9.5982 10.3396 10.3416 12.4271 12.4593 k = 0.4500 0.2598 0.3674 ( 2021 PWs) bands (ev): -9.1128 -9.0955 -9.0821 -9.0756 -8.3051 -8.2590 -8.2475 -8.2342 -8.2056 -8.2050 -3.2177 -3.2167 0.3607 0.4164 3.7082 3.8194 4.7064 4.7268 7.5809 7.6560 9.5975 9.6204 10.4329 10.4347 12.3736 12.4014 k = 0.4458 0.2574 0.3810 ( 2023 PWs) bands (ev): -9.1140 -9.0958 -9.0816 -9.0745 -8.3068 -8.2580 -8.2472 -8.2335 -8.2059 -8.2051 -3.1947 -3.1933 0.3605 0.4214 3.5959 3.7104 4.6641 4.6837 7.6524 7.7257 9.6273 9.6597 10.5322 10.5336 12.3008 12.3201 k = 0.4417 0.2550 0.3946 ( 2019 PWs) bands (ev): -9.1151 -9.0960 -9.0811 -9.0734 -8.3084 -8.2572 -8.2467 -8.2327 -8.2061 -8.2051 -3.1704 -3.1686 0.3592 0.4254 3.4874 3.6052 4.6216 4.6404 7.7092 7.7797 9.6723 9.7169 10.6368 10.6377 12.2138 12.2216 k = 0.4375 0.2526 0.4082 ( 2017 PWs) bands (ev): -9.1162 -9.0963 -9.0806 -9.0724 -8.3099 -8.2567 -8.2460 -8.2320 -8.2064 -8.2051 -3.1448 -3.1427 0.3565 0.4280 3.3837 3.5048 4.5790 4.5971 7.7512 7.8179 9.7319 9.7912 10.7461 10.7463 12.1117 12.1182 k = 0.4333 0.2502 0.4219 ( 2021 PWs) bands (ev): -9.1172 -9.0965 -9.0802 -9.0715 -8.3113 -8.2564 -8.2451 -8.2313 -8.2067 -8.2052 -3.1183 -3.1157 0.3522 0.4290 3.2856 3.4100 4.5364 4.5540 7.7792 7.8415 9.8038 9.8809 10.8582 10.8600 11.9960 12.0187 k = 0.4292 0.2478 0.4355 ( 2031 PWs) bands (ev): -9.1181 -9.0968 -9.0797 -9.0706 -8.3127 -8.2564 -8.2441 -8.2306 -8.2069 -8.2052 -3.0909 -3.0879 0.3460 0.4279 3.1938 3.3215 4.4942 4.5113 7.7946 7.8524 9.8845 9.9826 10.9727 10.9772 11.8797 11.9204 k = 0.4250 0.2454 0.4491 ( 2031 PWs) bands (ev): -9.1190 -9.0970 -9.0793 -9.0698 -8.3139 -8.2565 -8.2430 -8.2300 -8.2072 -8.2052 -3.0629 -3.0593 0.3378 0.4247 3.1091 3.2400 4.4524 4.4692 7.7994 7.8527 9.9692 10.0916 11.0879 11.0972 11.7685 11.8283 k = 0.4208 0.2430 0.4627 ( 2031 PWs) bands (ev): -9.1198 -9.0972 -9.0789 -9.0691 -8.3150 -8.2567 -8.2418 -8.2294 -8.2075 -8.2051 -3.0345 -3.0303 0.3274 0.4189 3.0322 3.1661 4.4113 4.4278 7.7956 7.8448 10.0514 10.2017 11.2003 11.2191 11.6710 11.7483 k = 0.4167 0.2406 0.4763 ( 2025 PWs) bands (ev): -9.1205 -9.0974 -9.0785 -9.0684 -8.3160 -8.2571 -8.2405 -8.2288 -8.2078 -8.2051 -3.0059 -3.0012 0.3148 0.4106 2.9635 3.1001 4.3710 4.3873 7.7853 7.8306 10.1234 10.3039 11.3002 11.3413 11.6041 11.6880 k = 0.4125 0.2382 0.4899 ( 2034 PWs) bands (ev): -9.1212 -9.0977 -9.0782 -9.0679 -8.3169 -8.2575 -8.2393 -8.2283 -8.2081 -8.2050 -2.9775 -2.9721 0.3001 0.3996 2.9035 3.0425 4.3318 4.3480 7.7701 7.8119 10.1768 10.3855 11.3654 11.4607 11.6009 11.6571 k = 0.4083 0.2358 0.5035 ( 2032 PWs) bands (ev): -9.1218 -9.0979 -9.0778 -9.0674 -8.3177 -8.2579 -8.2381 -8.2278 -8.2084 -8.2050 -2.9495 -2.9435 0.2833 0.3860 2.8526 2.9935 4.2938 4.3100 7.7515 7.7903 10.2036 10.4314 11.3984 11.5654 11.6720 11.6731 k = 0.4042 0.2333 0.5171 ( 2031 PWs) bands (ev): -9.1223 -9.0980 -9.0775 -9.0670 -8.3183 -8.2585 -8.2369 -8.2274 -8.2087 -8.2049 -2.9223 -2.9157 0.2649 0.3702 2.8109 2.9532 4.2572 4.2734 7.7308 7.7668 10.1998 10.4310 11.4482 11.6383 11.7548 11.7767 k = 0.4000 0.2309 0.5307 ( 2041 PWs) bands (ev): -9.1227 -9.0982 -9.0772 -9.0666 -8.3189 -8.2591 -8.2357 -8.2270 -8.2089 -8.2048 -2.8963 -2.8891 0.2452 0.3524 2.7785 2.9217 4.2221 4.2384 7.7088 7.7424 10.1660 10.3865 11.5343 11.7109 11.8671 11.8907 k = 0.3958 0.2285 0.5443 ( 2043 PWs) bands (ev): -9.1231 -9.0984 -9.0770 -9.0664 -8.3193 -8.2597 -8.2345 -8.2266 -8.2092 -8.2047 -2.8718 -2.8641 0.2249 0.3332 2.7552 2.8988 4.1887 4.2052 7.6864 7.7179 10.1073 10.3099 11.6499 11.8007 11.9837 12.0058 k = 0.3917 0.2261 0.5579 ( 2042 PWs) bands (ev): -9.1233 -9.0986 -9.0767 -9.0662 -8.3196 -8.2604 -8.2334 -8.2263 -8.2095 -8.2046 -2.8494 -2.8411 0.2046 0.3134 2.7409 2.8843 4.1571 4.1738 7.6643 7.6938 10.0298 10.2132 11.7826 11.9034 12.0986 12.1182 k = 0.3875 0.2237 0.5715 ( 2046 PWs) bands (ev): -9.1236 -9.0988 -9.0765 -9.0661 -8.3198 -8.2611 -8.2323 -8.2260 -8.2098 -8.2045 -2.8294 -2.8207 0.1851 0.2937 2.7351 2.8779 4.1274 4.1444 7.6428 7.6707 9.9393 10.1050 11.9205 12.0094 12.2089 12.2257 k = 0.3833 0.2213 0.5852 ( 2048 PWs) bands (ev): -9.1237 -9.0990 -9.0763 -9.0660 -8.3198 -8.2619 -8.2313 -8.2258 -8.2101 -8.2044 -2.8124 -2.8034 0.1673 0.2751 2.7375 2.8792 4.0997 4.1171 7.6225 7.6489 9.8402 9.9904 12.0522 12.1086 12.3125 12.3261 k = 0.3792 0.2189 0.5988 ( 2042 PWs) bands (ev): -9.1237 -9.0991 -9.0762 -9.0660 -8.3198 -8.2627 -8.2303 -8.2255 -8.2103 -8.2044 -2.7988 -2.7895 0.1521 0.2585 2.7474 2.8877 4.0741 4.0920 7.6035 7.6286 9.7359 9.8729 12.1652 12.1915 12.4062 12.4169 k = 0.3750 0.2165 0.6124 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.6250-0.0722 0.4082 ( 2045 PWs) bands (ev): -9.1237 -9.0993 -9.0761 -9.0661 -8.3196 -8.2635 -8.2294 -8.2253 -8.2106 -8.2043 -2.7890 -2.7796 0.1403 0.2448 2.7645 2.9031 4.0507 4.0692 7.5862 7.6102 9.6286 9.7543 12.2481 12.2515 12.4868 12.4952 k = 0.6181-0.0842 0.4082 ( 2045 PWs) bands (ev): -9.1236 -9.0996 -9.0759 -9.0662 -8.3192 -8.2649 -8.2278 -8.2250 -8.2110 -8.2043 -2.7773 -2.7679 0.1252 0.2258 2.8014 2.9371 4.0145 4.0340 7.5592 7.5815 9.4464 9.5565 12.3356 12.3592 12.6097 12.6150 k = 0.6111-0.0962 0.4082 ( 2047 PWs) bands (ev): -9.1234 -9.0999 -9.0757 -9.0665 -8.3186 -8.2664 -8.2263 -8.2247 -8.2115 -8.2043 -2.7677 -2.7584 0.1121 0.2084 2.8442 2.9765 3.9800 4.0007 7.5332 7.5538 9.2622 9.3595 12.4282 12.4744 12.7337 12.7361 k = 0.6042-0.1083 0.4082 ( 2047 PWs) bands (ev): -9.1231 -9.1003 -9.0755 -9.0667 -8.3179 -8.2679 -8.2249 -8.2244 -8.2120 -8.2043 -2.7601 -2.7510 0.1007 0.1923 2.8923 3.0212 3.9474 3.9694 7.5082 7.5274 9.0781 9.1648 12.5277 12.5932 12.8579 12.8581 k = 0.5972-0.1203 0.4082 ( 2043 PWs) bands (ev): -9.1227 -9.1008 -9.0753 -9.0670 -8.3171 -8.2695 -8.2241 -8.2235 -8.2124 -8.2044 -2.7542 -2.7454 0.0909 0.1774 2.9452 3.0705 3.9166 3.9401 7.4844 7.5022 8.8959 8.9736 12.6328 12.7149 12.9799 12.9826 k = 0.5903-0.1323 0.4082 ( 2046 PWs) bands (ev): -9.1223 -9.1012 -9.0751 -9.0674 -8.3162 -8.2711 -8.2237 -8.2221 -8.2129 -8.2044 -2.7499 -2.7414 0.0824 0.1636 3.0022 3.1240 3.8878 3.9130 7.4619 7.4784 8.7171 8.7872 12.7423 12.8391 13.1015 13.1066 k = 0.5833-0.1443 0.4082 ( 2042 PWs) bands (ev): -9.1218 -9.1018 -9.0749 -9.0677 -8.3151 -8.2728 -8.2234 -8.2207 -8.2134 -8.2045 -2.7468 -2.7388 0.0752 0.1507 3.0627 3.1807 3.8610 3.8880 7.4408 7.4560 8.5431 8.6064 12.8552 12.9651 13.2221 13.2297 k = 0.5764-0.1564 0.4082 ( 2048 PWs) bands (ev): -9.1212 -9.1024 -9.0747 -9.0681 -8.3140 -8.2746 -8.2231 -8.2195 -8.2139 -8.2046 -2.7448 -2.7373 0.0690 0.1387 3.1257 3.2400 3.8363 3.8655 7.4211 7.4352 8.3751 8.4324 12.9706 13.0925 13.3409 13.3511 k = 0.5694-0.1684 0.4082 ( 2048 PWs) bands (ev): -9.1206 -9.1030 -9.0744 -9.0685 -8.3127 -8.2764 -8.2227 -8.2182 -8.2144 -8.2048 -2.7437 -2.7368 0.0639 0.1275 3.1901 3.3008 3.8138 3.8454 7.4030 7.4160 8.2144 8.2662 13.0877 13.2204 13.4571 13.4702 k = 0.5625-0.1804 0.4082 ( 2052 PWs) bands (ev): -9.1199 -9.1037 -9.0742 -9.0689 -8.3114 -8.2782 -8.2224 -8.2170 -8.2149 -8.2050 -2.7433 -2.7369 0.0596 0.1171 3.2547 3.3617 3.7937 3.8280 7.3864 7.3985 8.0624 8.1088 13.2055 13.3482 13.5695 13.5858 k = 0.5556-0.1925 0.4082 ( 2040 PWs) bands (ev): -9.1191 -9.1045 -9.0740 -9.0692 -8.3099 -8.2801 -8.2220 -8.2160 -8.2152 -8.2052 -2.7433 -2.7376 0.0562 0.1074 3.3182 3.4214 3.7763 3.8135 7.3714 7.3826 7.9204 7.9616 13.3231 13.4748 13.6768 13.6969 k = 0.5486-0.2045 0.4082 ( 2046 PWs) bands (ev): -9.1183 -9.1053 -9.0738 -9.0696 -8.3083 -8.2820 -8.2217 -8.2160 -8.2146 -8.2055 -2.7437 -2.7387 0.0537 0.0985 3.3789 3.4781 3.7619 3.8020 7.3581 7.3686 7.7899 7.8259 13.4394 13.5990 13.7772 13.8021 k = 0.5417-0.2165 0.4082 ( 2046 PWs) bands (ev): -9.1175 -9.1061 -9.0736 -9.0700 -8.3067 -8.2839 -8.2213 -8.2164 -8.2137 -8.2058 -2.7443 -2.7400 0.0519 0.0904 3.4351 3.5293 3.7515 3.7940 7.3464 7.3563 7.6725 7.7031 13.5531 13.7190 13.8688 13.8996 k = 0.5347-0.2285 0.4082 ( 2044 PWs) bands (ev): -9.1166 -9.1070 -9.0733 -9.0704 -8.3050 -8.2858 -8.2210 -8.2169 -8.2127 -8.2061 -2.7450 -2.7413 0.0509 0.0830 3.4850 3.5720 3.7465 3.7895 7.3364 7.3459 7.5699 7.5947 13.6626 13.8326 13.9489 13.9874 k = 0.5278-0.2406 0.4082 ( 2048 PWs) bands (ev): -9.1157 -9.1079 -9.0731 -9.0707 -8.3033 -8.2878 -8.2206 -8.2173 -8.2118 -8.2065 -2.7456 -2.7427 0.0506 0.0763 3.5272 3.6028 3.7486 3.7884 7.3279 7.3374 7.4838 7.5022 13.7659 13.9364 14.0148 14.0629 k = 0.5208-0.2526 0.4082 ( 2044 PWs) bands (ev): -9.1147 -9.1088 -9.0728 -9.0711 -8.3014 -8.2898 -8.2202 -8.2178 -8.2109 -8.2070 -2.7461 -2.7439 0.0512 0.0704 3.5608 3.6199 3.7582 3.7900 7.3210 7.3309 7.4160 7.4273 13.8605 14.0243 14.0652 14.1236 k = 0.5139-0.2646 0.4082 ( 2044 PWs) bands (ev): -9.1138 -9.1098 -9.0726 -9.0714 -8.2996 -8.2918 -8.2198 -8.2182 -8.2101 -8.2075 -2.7464 -2.7449 0.0524 0.0653 3.5859 3.6254 3.7715 3.7926 7.3153 7.3265 7.3682 7.3713 13.9431 14.0752 14.1130 14.1663 k = 0.5069-0.2766 0.4082 ( 2044 PWs) bands (ev): -9.1128 -9.1108 -9.0723 -9.0717 -8.2977 -8.2938 -8.2194 -8.2186 -8.2094 -8.2081 -2.7464 -2.7457 0.0545 0.0609 3.6038 3.6233 3.7835 3.7937 7.3115 7.3234 7.3361 7.3408 14.0100 14.0804 14.1603 14.1881 k = 0.5000-0.2887 0.4082 ( 2044 PWs) bands (ev): -9.1118 -9.1118 -9.0720 -9.0720 -8.2957 -8.2957 -8.2190 -8.2190 -8.2087 -8.2087 -2.7462 -2.7462 0.0573 0.0573 3.6160 3.6160 3.7911 3.7911 7.3142 7.3142 7.3301 7.3301 14.0571 14.0571 14.1865 14.1865 Writing output data file InSb.save init_run : 2.54s CPU 13.07s WALL ( 1 calls) electrons : 152.15s CPU 158.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 152.01s CPU 157.94s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.85s WALL ( 1 calls) v_h : 0.07s CPU 0.18s WALL ( 1 calls) v_xc : 0.10s CPU 0.46s WALL ( 1 calls) newd : 0.26s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 328 calls) cegterg : 107.87s CPU 108.81s WALL ( 503 calls) Called by sum_band: Called by *egterg: h_psi : 59.36s CPU 63.14s WALL ( 7420 calls) s_psi : 4.91s CPU 5.53s WALL ( 7420 calls) g_psi : 0.07s CPU 0.18s WALL ( 6589 calls) cdiaghg : 30.17s CPU 29.22s WALL ( 6917 calls) cegterg:over : 9.41s CPU 7.58s WALL ( 6589 calls) cegterg:upda : 0.41s CPU 1.46s WALL ( 6589 calls) cegterg:last : 0.61s CPU 1.10s WALL ( 1487 calls) Called by h_psi: h_psi:vloc : 49.65s CPU 53.10s WALL ( 7420 calls) h_psi:vnl : 9.68s CPU 9.77s WALL ( 7420 calls) add_vuspsi : 2.00s CPU 3.82s WALL ( 7420 calls) General routines calbec : 7.66s CPU 5.84s WALL ( 7420 calls) fft : 0.17s CPU 1.03s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 47.49s CPU 50.65s WALL ( 489544 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.01s CPU 4.78s WALL ( 656 calls) Parallel routines fft_scatter : 33.45s CPU 35.13s WALL ( 489567 calls) PWSCF : 3m 3.61s CPU 4m21.49s WALL This run was terminated on: 7:27:31 26Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=