Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbScS2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 47 13 2443 877 139 Max 93 48 14 2446 897 142 Sum 3339 1693 495 87991 31943 5057 bravais-lattice index = 14 lattice parameter (alat) = 14.8704 a.u. unit-cell volume = 647.3870 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.870364 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.881560 celldm(5)= 0.881560 celldm(6)= 0.881560 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.881560 0.472072 0.000000 ) a(3) = ( 0.881560 0.221178 0.417052 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.867425 -1.123423 ) b(2) = ( 0.000000 2.118319 -1.123423 ) b(3) = ( 0.000000 0.000000 2.397781 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sc 11.00 44.95590 Sc( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0104167 -0.0194523 -0.0117023), wk = 0.0031949 k( 3) = ( 0.0208333 -0.0389047 -0.0234046), wk = 0.0031949 k( 4) = ( 0.0312500 -0.0583570 -0.0351070), wk = 0.0031949 k( 5) = ( 0.0416667 -0.0778094 -0.0468093), wk = 0.0031949 k( 6) = ( 0.0520833 -0.0972617 -0.0585116), wk = 0.0031949 k( 7) = ( 0.0625000 -0.1167140 -0.0702139), wk = 0.0031949 k( 8) = ( 0.0729167 -0.1361664 -0.0819163), wk = 0.0031949 k( 9) = ( 0.0833333 -0.1556187 -0.0936186), wk = 0.0031949 k( 10) = ( 0.0937500 -0.1750711 -0.1053209), wk = 0.0031949 k( 11) = ( 0.1041667 -0.1945234 -0.1170232), wk = 0.0031949 k( 12) = ( 0.1145833 -0.2139757 -0.1287255), wk = 0.0031949 k( 13) = ( 0.1250000 -0.2334281 -0.1404279), wk = 0.0031949 k( 14) = ( 0.1354167 -0.2528804 -0.1521302), wk = 0.0031949 k( 15) = ( 0.1458333 -0.2723328 -0.1638325), wk = 0.0031949 k( 16) = ( 0.1562500 -0.2917851 -0.1755348), wk = 0.0031949 k( 17) = ( 0.1666667 -0.3112374 -0.1872371), wk = 0.0031949 k( 18) = ( 0.1770833 -0.3306898 -0.1989395), wk = 0.0031949 k( 19) = ( 0.1875000 -0.3501421 -0.2106418), wk = 0.0031949 k( 20) = ( 0.1979167 -0.3695945 -0.2223441), wk = 0.0031949 k( 21) = ( 0.2083333 -0.3890468 -0.2340464), wk = 0.0031949 k( 22) = ( 0.2187500 -0.4084991 -0.2457487), wk = 0.0031949 k( 23) = ( 0.2291667 -0.4279515 -0.2574511), wk = 0.0031949 k( 24) = ( 0.2395833 -0.4474038 -0.2691534), wk = 0.0031949 k( 25) = ( 0.2500000 -0.4668562 -0.2808557), wk = 0.0031949 k( 26) = ( 0.2604167 -0.4863085 -0.2925580), wk = 0.0031949 k( 27) = ( 0.2708333 -0.5057608 -0.3042603), wk = 0.0031949 k( 28) = ( 0.2812500 -0.5252132 -0.3159627), wk = 0.0031949 k( 29) = ( 0.2916667 -0.5446655 -0.3276650), wk = 0.0031949 k( 30) = ( 0.3020833 -0.5641179 -0.3393673), wk = 0.0031949 k( 31) = ( 0.3125000 -0.5835702 -0.3510696), wk = 0.0031949 k( 32) = ( 0.3229167 -0.6030225 -0.3627720), wk = 0.0031949 k( 33) = ( 0.3333333 -0.6224749 -0.3744743), wk = 0.0031949 k( 34) = ( 0.3437500 -0.6419272 -0.3861766), wk = 0.0031949 k( 35) = ( 0.3541667 -0.6613796 -0.3978789), wk = 0.0031949 k( 36) = ( 0.3645833 -0.6808319 -0.4095812), wk = 0.0031949 k( 37) = ( 0.3750000 -0.7002842 -0.4212836), wk = 0.0031949 k( 38) = ( 0.3854167 -0.7197366 -0.4329859), wk = 0.0031949 k( 39) = ( 0.3958333 -0.7391889 -0.4446882), wk = 0.0031949 k( 40) = ( 0.4062500 -0.7586413 -0.4563905), wk = 0.0031949 k( 41) = ( 0.4166667 -0.7780936 -0.4680929), wk = 0.0031949 k( 42) = ( 0.4270833 -0.7975459 -0.4797952), wk = 0.0031949 k( 43) = ( 0.4375000 -0.8169983 -0.4914975), wk = 0.0031949 k( 44) = ( 0.4479167 -0.8364506 -0.5031998), wk = 0.0031949 k( 45) = ( 0.4583333 -0.8559030 -0.5149021), wk = 0.0031949 k( 46) = ( 0.4687500 -0.8753553 -0.5266045), wk = 0.0031949 k( 47) = ( 0.4791667 -0.8948076 -0.5383068), wk = 0.0031949 k( 48) = ( 0.4895833 -0.9142600 -0.5500091), wk = 0.0031949 k( 49) = ( 0.5000000 -0.9337123 -0.5617114), wk = 0.0031949 k( 50) = ( 0.5000000 -0.9337123 -0.5617114), wk = 0.0031949 k( 51) = ( 0.5000000 -0.9209350 -0.5829507), wk = 0.0031949 k( 52) = ( 0.5000000 -0.9081576 -0.6041900), wk = 0.0031949 k( 53) = ( 0.5000000 -0.8953803 -0.6254293), wk = 0.0031949 k( 54) = ( 0.5000000 -0.8826030 -0.6466686), wk = 0.0031949 k( 55) = ( 0.5000000 -0.8698256 -0.6679079), wk = 0.0031949 k( 56) = ( 0.5000000 -0.8570483 -0.6891472), wk = 0.0031949 k( 57) = ( 0.5000000 -0.8442709 -0.7103865), wk = 0.0031949 k( 58) = ( 0.5000000 -0.8314936 -0.7316258), wk = 0.0031949 k( 59) = ( 0.5000000 -0.8187163 -0.7528651), wk = 0.0031949 k( 60) = ( 0.5000000 -0.8059389 -0.7741044), wk = 0.0031949 k( 61) = ( 0.5000000 -0.7931616 -0.7953438), wk = 0.0031949 k( 62) = ( 0.5000000 -0.7803842 -0.8165831), wk = 0.0031949 k( 63) = ( 0.5000000 -0.7676069 -0.8378224), wk = 0.0031949 k( 64) = ( 0.5000000 -0.7548296 -0.8590617), wk = 0.0031949 k( 65) = ( 0.5000000 -0.7420522 -0.8803010), wk = 0.0031949 k( 66) = ( 0.5000000 -0.7292749 -0.9015403), wk = 0.0031949 k( 67) = ( 0.5000000 -0.7164976 -0.9227796), wk = 0.0031949 k( 68) = ( 0.5000000 -0.7037202 -0.9440189), wk = 0.0031949 k( 69) = ( 0.5000000 -0.6909429 -0.9652582), wk = 0.0031949 k( 70) = ( 0.5000000 -0.6781655 -0.9864975), wk = 0.0031949 k( 71) = ( 0.5000000 -0.6653882 -1.0077368), wk = 0.0031949 k( 72) = ( 0.5000000 -0.6526109 -1.0289761), wk = 0.0031949 k( 73) = ( 0.5000000 -0.6398335 -1.0502154), wk = 0.0031949 k( 74) = ( 0.5000000 -0.6270562 -1.0714547), wk = 0.0031949 k( 75) = ( 0.5000000 -0.6142788 -1.0926940), wk = 0.0031949 k( 76) = ( 0.5000000 -0.6015015 -1.1139333), wk = 0.0031949 k( 77) = ( 0.5000000 -0.5887242 -1.1351726), wk = 0.0031949 k( 78) = ( 0.5000000 -0.5759468 -1.1564119), wk = 0.0031949 k( 79) = ( 0.5000000 -0.5631695 -1.1776512), wk = 0.0031949 k( 80) = ( 0.5000000 -0.5503921 -1.1988905), wk = 0.0031949 k( 81) = ( 0.8190451 -0.4703456 -1.0479552), wk = 0.0031949 k( 82) = ( 0.8130254 -0.4591042 -1.0267586), wk = 0.0031949 k( 83) = ( 0.8070057 -0.4478628 -1.0055619), wk = 0.0031949 k( 84) = ( 0.8009859 -0.4366215 -0.9843652), wk = 0.0031949 k( 85) = ( 0.7949662 -0.4253801 -0.9631686), wk = 0.0031949 k( 86) = ( 0.7889465 -0.4141387 -0.9419719), wk = 0.0031949 k( 87) = ( 0.7829268 -0.4028973 -0.9207752), wk = 0.0031949 k( 88) = ( 0.7769071 -0.3916560 -0.8995786), wk = 0.0031949 k( 89) = ( 0.7708873 -0.3804146 -0.8783819), wk = 0.0031949 k( 90) = ( 0.7648676 -0.3691732 -0.8571853), wk = 0.0031949 k( 91) = ( 0.7588479 -0.3579319 -0.8359886), wk = 0.0031949 k( 92) = ( 0.7528282 -0.3466905 -0.8147920), wk = 0.0031949 k( 93) = ( 0.7468085 -0.3354491 -0.7935953), wk = 0.0031949 k( 94) = ( 0.7407888 -0.3242078 -0.7723987), wk = 0.0031949 k( 95) = ( 0.7347690 -0.3129664 -0.7512020), wk = 0.0031949 k( 96) = ( 0.7287493 -0.3017250 -0.7300053), wk = 0.0031949 k( 97) = ( 0.7227296 -0.2904836 -0.7088087), wk = 0.0031949 k( 98) = ( 0.7167099 -0.2792423 -0.6876120), wk = 0.0031949 k( 99) = ( 0.7106902 -0.2680009 -0.6664153), wk = 0.0031949 k( 100) = ( 0.7046704 -0.2567595 -0.6452187), wk = 0.0031949 k( 101) = ( 0.6986507 -0.2455182 -0.6240221), wk = 0.0031949 k( 102) = ( 0.6926310 -0.2342768 -0.6028254), wk = 0.0031949 k( 103) = ( 0.6866113 -0.2230354 -0.5816287), wk = 0.0031949 k( 104) = ( 0.6805916 -0.2117940 -0.5604321), wk = 0.0031949 k( 105) = ( 0.6745718 -0.2005527 -0.5392354), wk = 0.0031949 k( 106) = ( 0.6685521 -0.1893113 -0.5180388), wk = 0.0031949 k( 107) = ( 0.6625324 -0.1780699 -0.4968421), wk = 0.0031949 k( 108) = ( 0.6565127 -0.1668285 -0.4756454), wk = 0.0031949 k( 109) = ( 0.6504930 -0.1555872 -0.4544488), wk = 0.0031949 k( 110) = ( 0.6444732 -0.1443458 -0.4332521), wk = 0.0031949 k( 111) = ( 0.6384535 -0.1331044 -0.4120555), wk = 0.0031949 k( 112) = ( 0.6324338 -0.1218631 -0.3908588), wk = 0.0031949 k( 113) = ( 0.6264141 -0.1106217 -0.3696622), wk = 0.0031949 k( 114) = ( 0.6203944 -0.0993803 -0.3484655), wk = 0.0031949 k( 115) = ( 0.6143747 -0.0881389 -0.3272688), wk = 0.0031949 k( 116) = ( 0.6083549 -0.0768976 -0.3060722), wk = 0.0031949 k( 117) = ( 0.6023352 -0.0656562 -0.2848755), wk = 0.0031949 k( 118) = ( 0.5963155 -0.0544148 -0.2636789), wk = 0.0031949 k( 119) = ( 0.5902958 -0.0431735 -0.2424822), wk = 0.0031949 k( 120) = ( 0.5842761 -0.0319321 -0.2212856), wk = 0.0031949 k( 121) = ( 0.5782563 -0.0206907 -0.2000889), wk = 0.0031949 k( 122) = ( 0.5722366 -0.0094494 -0.1788922), wk = 0.0031949 k( 123) = ( 0.5662169 0.0017920 -0.1576956), wk = 0.0031949 k( 124) = ( 0.5601972 0.0130334 -0.1364989), wk = 0.0031949 k( 125) = ( 0.5541775 0.0242748 -0.1153023), wk = 0.0031949 k( 126) = ( 0.5481577 0.0355161 -0.0941056), wk = 0.0031949 k( 127) = ( 0.5421380 0.0467575 -0.0729089), wk = 0.0031949 k( 128) = ( 0.5361183 0.0579989 -0.0517123), wk = 0.0031949 k( 129) = ( 0.5300986 0.0692403 -0.0305156), wk = 0.0031949 k( 130) = ( 0.5240789 0.0804816 -0.0093190), wk = 0.0031949 k( 131) = ( 0.5180592 0.0917230 0.0118777), wk = 0.0031949 k( 132) = ( 0.5120394 0.1029644 0.0330743), wk = 0.0031949 k( 133) = ( 0.5060197 0.1142057 0.0542710), wk = 0.0031949 k( 134) = ( 0.5000000 0.1254471 0.0754676), wk = 0.0031949 k( 135) = ( 0.5000000 0.1254471 0.0754676), wk = 0.0031949 k( 136) = ( 0.4761905 0.1194734 0.0718740), wk = 0.0031949 k( 137) = ( 0.4523810 0.1134998 0.0682803), wk = 0.0031949 k( 138) = ( 0.4285714 0.1075261 0.0646866), wk = 0.0031949 k( 139) = ( 0.4047619 0.1015524 0.0610929), wk = 0.0031949 k( 140) = ( 0.3809524 0.0955787 0.0574992), wk = 0.0031949 k( 141) = ( 0.3571429 0.0896051 0.0539055), wk = 0.0031949 k( 142) = ( 0.3333333 0.0836314 0.0503118), wk = 0.0031949 k( 143) = ( 0.3095238 0.0776577 0.0467181), wk = 0.0031949 k( 144) = ( 0.2857143 0.0716841 0.0431244), wk = 0.0031949 k( 145) = ( 0.2619048 0.0657104 0.0395307), wk = 0.0031949 k( 146) = ( 0.2380952 0.0597367 0.0359370), wk = 0.0031949 k( 147) = ( 0.2142857 0.0537630 0.0323433), wk = 0.0031949 k( 148) = ( 0.1904762 0.0477894 0.0287496), wk = 0.0031949 k( 149) = ( 0.1666667 0.0418157 0.0251559), wk = 0.0031949 k( 150) = ( 0.1428571 0.0358420 0.0215622), wk = 0.0031949 k( 151) = ( 0.1190476 0.0298684 0.0179685), wk = 0.0031949 k( 152) = ( 0.0952381 0.0238947 0.0143748), wk = 0.0031949 k( 153) = ( 0.0714286 0.0179210 0.0107811), wk = 0.0031949 k( 154) = ( 0.0476191 0.0119473 0.0071874), wk = 0.0031949 k( 155) = ( 0.0238095 0.0059737 0.0035937), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0060799 -0.0113538 -0.0214087), wk = 0.0031949 k( 159) = ( 0.0121599 -0.0227077 -0.0428175), wk = 0.0031949 k( 160) = ( 0.0182399 -0.0340616 -0.0642263), wk = 0.0031949 k( 161) = ( 0.0243198 -0.0454154 -0.0856350), wk = 0.0031949 k( 162) = ( 0.0303998 -0.0567693 -0.1070438), wk = 0.0031949 k( 163) = ( 0.0364797 -0.0681231 -0.1284526), wk = 0.0031949 k( 164) = ( 0.0425597 -0.0794770 -0.1498613), wk = 0.0031949 k( 165) = ( 0.0486396 -0.0908309 -0.1712701), wk = 0.0031949 k( 166) = ( 0.0547196 -0.1021847 -0.1926788), wk = 0.0031949 k( 167) = ( 0.0607995 -0.1135386 -0.2140876), wk = 0.0031949 k( 168) = ( 0.0668795 -0.1248924 -0.2354964), wk = 0.0031949 k( 169) = ( 0.0729594 -0.1362463 -0.2569051), wk = 0.0031949 k( 170) = ( 0.0790394 -0.1476001 -0.2783139), wk = 0.0031949 k( 171) = ( 0.0851194 -0.1589540 -0.2997226), wk = 0.0031949 k( 172) = ( 0.0911993 -0.1703079 -0.3211314), wk = 0.0031949 k( 173) = ( 0.0972793 -0.1816617 -0.3425401), wk = 0.0031949 k( 174) = ( 0.1033592 -0.1930156 -0.3639489), wk = 0.0031949 k( 175) = ( 0.1094392 -0.2043694 -0.3853577), wk = 0.0031949 k( 176) = ( 0.1155191 -0.2157233 -0.4067664), wk = 0.0031949 k( 177) = ( 0.1215991 -0.2270771 -0.4281752), wk = 0.0031949 k( 178) = ( 0.1276790 -0.2384310 -0.4495839), wk = 0.0031949 k( 179) = ( 0.1337590 -0.2497849 -0.4709927), wk = 0.0031949 k( 180) = ( 0.1398389 -0.2611387 -0.4924014), wk = 0.0031949 k( 181) = ( 0.1459189 -0.2724926 -0.5138102), wk = 0.0031949 k( 182) = ( 0.1519989 -0.2838464 -0.5352190), wk = 0.0031949 k( 183) = ( 0.1580788 -0.2952003 -0.5566277), wk = 0.0031949 k( 184) = ( 0.1641588 -0.3065541 -0.5780365), wk = 0.0031949 k( 185) = ( 0.1702387 -0.3179080 -0.5994452), wk = 0.0031949 k( 186) = ( 0.1763187 -0.3292618 -0.6208540), wk = 0.0031949 k( 187) = ( 0.1823986 -0.3406157 -0.6422628), wk = 0.0031949 k( 188) = ( 0.1884786 -0.3519696 -0.6636715), wk = 0.0031949 k( 189) = ( 0.1945585 -0.3633234 -0.6850803), wk = 0.0031949 k( 190) = ( 0.2006385 -0.3746773 -0.7064891), wk = 0.0031949 k( 191) = ( 0.2067184 -0.3860311 -0.7278978), wk = 0.0031949 k( 192) = ( 0.2127984 -0.3973850 -0.7493065), wk = 0.0031949 k( 193) = ( 0.2188784 -0.4087388 -0.7707153), wk = 0.0031949 k( 194) = ( 0.2249583 -0.4200927 -0.7921241), wk = 0.0031949 k( 195) = ( 0.2310383 -0.4314466 -0.8135328), wk = 0.0031949 k( 196) = ( 0.2371182 -0.4428004 -0.8349416), wk = 0.0031949 k( 197) = ( 0.2431982 -0.4541543 -0.8563504), wk = 0.0031949 k( 198) = ( 0.2492781 -0.4655081 -0.8777591), wk = 0.0031949 k( 199) = ( 0.2553581 -0.4768620 -0.8991679), wk = 0.0031949 k( 200) = ( 0.2614380 -0.4882158 -0.9205766), wk = 0.0031949 k( 201) = ( 0.2675180 -0.4995697 -0.9419854), wk = 0.0031949 k( 202) = ( 0.2735979 -0.5109236 -0.9633941), wk = 0.0031949 k( 203) = ( 0.2796779 -0.5222774 -0.9848029), wk = 0.0031949 k( 204) = ( 0.2857579 -0.5336313 -1.0062117), wk = 0.0031949 k( 205) = ( 0.2918378 -0.5449851 -1.0276204), wk = 0.0031949 k( 206) = ( 0.2979178 -0.5563390 -1.0490292), wk = 0.0031949 k( 207) = ( 0.3039977 -0.5676928 -1.0704379), wk = 0.0031949 k( 208) = ( 0.3100777 -0.5790467 -1.0918467), wk = 0.0031949 k( 209) = ( 0.3161576 -0.5904005 -1.1132555), wk = 0.0031949 k( 210) = ( 0.3222376 -0.6017544 -1.1346642), wk = 0.0031949 k( 211) = ( 0.3283175 -0.6131083 -1.1560730), wk = 0.0031949 k( 212) = ( 0.3343975 -0.6244621 -1.1774817), wk = 0.0031949 k( 213) = ( 0.3404775 -0.6358160 -1.1988905), wk = 0.0031949 k( 214) = ( 0.6595226 -0.5103689 -1.1234228), wk = 0.0031949 k( 215) = ( 0.6536143 -0.4868201 -1.1234228), wk = 0.0031949 k( 216) = ( 0.6477061 -0.4632714 -1.1234228), wk = 0.0031949 k( 217) = ( 0.6417978 -0.4397226 -1.1234228), wk = 0.0031949 k( 218) = ( 0.6358896 -0.4161739 -1.1234228), wk = 0.0031949 k( 219) = ( 0.6299813 -0.3926252 -1.1234228), wk = 0.0031949 k( 220) = ( 0.6240731 -0.3690764 -1.1234228), wk = 0.0031949 k( 221) = ( 0.6181648 -0.3455277 -1.1234228), wk = 0.0031949 k( 222) = ( 0.6122566 -0.3219789 -1.1234228), wk = 0.0031949 k( 223) = ( 0.6063484 -0.2984302 -1.1234228), wk = 0.0031949 k( 224) = ( 0.6004401 -0.2748815 -1.1234228), wk = 0.0031949 k( 225) = ( 0.5945319 -0.2513327 -1.1234228), wk = 0.0031949 k( 226) = ( 0.5886236 -0.2277840 -1.1234228), wk = 0.0031949 k( 227) = ( 0.5827154 -0.2042353 -1.1234228), wk = 0.0031949 k( 228) = ( 0.5768072 -0.1806865 -1.1234228), wk = 0.0031949 k( 229) = ( 0.5708989 -0.1571378 -1.1234228), wk = 0.0031949 k( 230) = ( 0.5649907 -0.1335890 -1.1234228), wk = 0.0031949 k( 231) = ( 0.5590824 -0.1100403 -1.1234228), wk = 0.0031949 k( 232) = ( 0.5531742 -0.0864915 -1.1234228), wk = 0.0031949 k( 233) = ( 0.5472659 -0.0629428 -1.1234228), wk = 0.0031949 k( 234) = ( 0.5413577 -0.0393941 -1.1234228), wk = 0.0031949 k( 235) = ( 0.5354495 -0.0158453 -1.1234228), wk = 0.0031949 k( 236) = ( 0.5295412 0.0077034 -1.1234228), wk = 0.0031949 k( 237) = ( 0.5236330 0.0312522 -1.1234228), wk = 0.0031949 k( 238) = ( 0.5177247 0.0548009 -1.1234228), wk = 0.0031949 k( 239) = ( 0.5118165 0.0783496 -1.1234228), wk = 0.0031949 k( 240) = ( 0.5059082 0.1018984 -1.1234228), wk = 0.0031949 k( 241) = ( 0.5000000 0.1254471 -1.1234228), wk = 0.0031949 k( 242) = ( 0.5000000 0.1254471 -1.1234228), wk = 0.0031949 k( 243) = ( 0.5199403 0.1304500 -1.1139894), wk = 0.0031949 k( 244) = ( 0.5398806 0.1354529 -1.1045559), wk = 0.0031949 k( 245) = ( 0.5598210 0.1404558 -1.0951225), wk = 0.0031949 k( 246) = ( 0.5797613 0.1454588 -1.0856890), wk = 0.0031949 k( 247) = ( 0.5997016 0.1504617 -1.0762556), wk = 0.0031949 k( 248) = ( 0.6196419 0.1554646 -1.0668221), wk = 0.0031949 k( 249) = ( 0.6395822 0.1604675 -1.0573887), wk = 0.0031949 k( 250) = ( 0.6595226 0.1654704 -1.0479552), wk = 0.0031949 k( 251) = ( 0.6595226 0.1654704 -1.0479552), wk = 0.0031949 k( 252) = ( 0.6560547 0.1646003 -1.0235330), wk = 0.0031949 k( 253) = ( 0.6525868 0.1637303 -0.9991107), wk = 0.0031949 k( 254) = ( 0.6491189 0.1628602 -0.9746885), wk = 0.0031949 k( 255) = ( 0.6456510 0.1619901 -0.9502663), wk = 0.0031949 k( 256) = ( 0.6421831 0.1611200 -0.9258440), wk = 0.0031949 k( 257) = ( 0.6387153 0.1602500 -0.9014218), wk = 0.0031949 k( 258) = ( 0.6352474 0.1593799 -0.8769995), wk = 0.0031949 k( 259) = ( 0.6317795 0.1585098 -0.8525773), wk = 0.0031949 k( 260) = ( 0.6283116 0.1576398 -0.8281551), wk = 0.0031949 k( 261) = ( 0.6248437 0.1567697 -0.8037328), wk = 0.0031949 k( 262) = ( 0.6213758 0.1558996 -0.7793106), wk = 0.0031949 k( 263) = ( 0.6179080 0.1550295 -0.7548884), wk = 0.0031949 k( 264) = ( 0.6144401 0.1541595 -0.7304661), wk = 0.0031949 k( 265) = ( 0.6109722 0.1532894 -0.7060439), wk = 0.0031949 k( 266) = ( 0.6075043 0.1524193 -0.6816217), wk = 0.0031949 k( 267) = ( 0.6040364 0.1515493 -0.6571994), wk = 0.0031949 k( 268) = ( 0.6005686 0.1506792 -0.6327772), wk = 0.0031949 k( 269) = ( 0.5971007 0.1498091 -0.6083549), wk = 0.0031949 k( 270) = ( 0.5936328 0.1489390 -0.5839327), wk = 0.0031949 k( 271) = ( 0.5901649 0.1480690 -0.5595105), wk = 0.0031949 k( 272) = ( 0.5866970 0.1471989 -0.5350882), wk = 0.0031949 k( 273) = ( 0.5832292 0.1463288 -0.5106660), wk = 0.0031949 k( 274) = ( 0.5797613 0.1454588 -0.4862438), wk = 0.0031949 k( 275) = ( 0.5762934 0.1445887 -0.4618215), wk = 0.0031949 k( 276) = ( 0.5728255 0.1437186 -0.4373993), wk = 0.0031949 k( 277) = ( 0.5693576 0.1428485 -0.4129771), wk = 0.0031949 k( 278) = ( 0.5658897 0.1419785 -0.3885548), wk = 0.0031949 k( 279) = ( 0.5624219 0.1411084 -0.3641326), wk = 0.0031949 k( 280) = ( 0.5589540 0.1402383 -0.3397104), wk = 0.0031949 k( 281) = ( 0.5554861 0.1393683 -0.3152881), wk = 0.0031949 k( 282) = ( 0.5520182 0.1384982 -0.2908659), wk = 0.0031949 k( 283) = ( 0.5485503 0.1376281 -0.2664436), wk = 0.0031949 k( 284) = ( 0.5450825 0.1367580 -0.2420214), wk = 0.0031949 k( 285) = ( 0.5416146 0.1358880 -0.2175992), wk = 0.0031949 k( 286) = ( 0.5381467 0.1350179 -0.1931769), wk = 0.0031949 k( 287) = ( 0.5346788 0.1341478 -0.1687547), wk = 0.0031949 k( 288) = ( 0.5312109 0.1332778 -0.1443325), wk = 0.0031949 k( 289) = ( 0.5277430 0.1324077 -0.1199102), wk = 0.0031949 k( 290) = ( 0.5242752 0.1315376 -0.0954880), wk = 0.0031949 k( 291) = ( 0.5208073 0.1306675 -0.0710658), wk = 0.0031949 k( 292) = ( 0.5173394 0.1297975 -0.0466435), wk = 0.0031949 k( 293) = ( 0.5138715 0.1289274 -0.0222213), wk = 0.0031949 k( 294) = ( 0.5104036 0.1280573 0.0022010), wk = 0.0031949 k( 295) = ( 0.5069358 0.1271873 0.0266232), wk = 0.0031949 k( 296) = ( 0.5034679 0.1263172 0.0510454), wk = 0.0031949 k( 297) = ( 0.5000000 0.1254471 0.0754676), wk = 0.0031949 k( 298) = ( 0.5000000 -0.9337123 -0.5617114), wk = 0.0031949 k( 299) = ( 0.5212697 -0.9253492 -0.5566802), wk = 0.0031949 k( 300) = ( 0.5425393 -0.9169860 -0.5516491), wk = 0.0031949 k( 301) = ( 0.5638090 -0.9086229 -0.5466179), wk = 0.0031949 k( 302) = ( 0.5850787 -0.9002597 -0.5415867), wk = 0.0031949 k( 303) = ( 0.6063484 -0.8918966 -0.5365555), wk = 0.0031949 k( 304) = ( 0.6276180 -0.8835335 -0.5315244), wk = 0.0031949 k( 305) = ( 0.6488877 -0.8751703 -0.5264932), wk = 0.0031949 k( 306) = ( 0.6701574 -0.8668072 -0.5214620), wk = 0.0031949 k( 307) = ( 0.6914271 -0.8584440 -0.5164308), wk = 0.0031949 k( 308) = ( 0.7126967 -0.8500809 -0.5113997), wk = 0.0031949 k( 309) = ( 0.7339664 -0.8417178 -0.5063685), wk = 0.0031949 k( 310) = ( 0.7552361 -0.8333546 -0.5013373), wk = 0.0031949 k( 311) = ( 0.7765058 -0.8249915 -0.4963061), wk = 0.0031949 k( 312) = ( 0.7977754 -0.8166283 -0.4912749), wk = 0.0031949 k( 313) = ( 0.8190451 -0.8082652 -0.4862438), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0104167 0.0000000 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0031949 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0031949 k( 11) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0031949 k( 12) = ( 0.1145833 0.0000000 -0.0000000), wk = 0.0031949 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0031949 k( 14) = ( 0.1354167 0.0000000 -0.0000000), wk = 0.0031949 k( 15) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0031949 k( 17) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0031949 k( 18) = ( 0.1770833 0.0000000 0.0000000), wk = 0.0031949 k( 19) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0031949 k( 20) = ( 0.1979167 0.0000000 -0.0000000), wk = 0.0031949 k( 21) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0031949 k( 22) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0031949 k( 23) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0031949 k( 24) = ( 0.2395833 0.0000000 -0.0000000), wk = 0.0031949 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0031949 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0031949 k( 27) = ( 0.2708333 -0.0000000 -0.0000000), wk = 0.0031949 k( 28) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0031949 k( 29) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.3020833 -0.0000000 -0.0000000), wk = 0.0031949 k( 31) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0031949 k( 32) = ( 0.3229167 -0.0000000 -0.0000000), wk = 0.0031949 k( 33) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0031949 k( 34) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0031949 k( 35) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0031949 k( 36) = ( 0.3645833 0.0000000 -0.0000000), wk = 0.0031949 k( 37) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0031949 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0031949 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0031949 k( 41) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0031949 k( 42) = ( 0.4270833 0.0000000 0.0000000), wk = 0.0031949 k( 43) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0031949 k( 47) = ( 0.4791667 0.0000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.4895833 0.0000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.5000000 0.0060318 -0.0060318), wk = 0.0031949 k( 52) = ( 0.5000000 0.0120637 -0.0120637), wk = 0.0031949 k( 53) = ( 0.5000000 0.0180955 -0.0180955), wk = 0.0031949 k( 54) = ( 0.5000000 0.0241273 -0.0241273), wk = 0.0031949 k( 55) = ( 0.5000000 0.0301592 -0.0301591), wk = 0.0031949 k( 56) = ( 0.5000000 0.0361910 -0.0361910), wk = 0.0031949 k( 57) = ( 0.5000000 0.0422228 -0.0422228), wk = 0.0031949 k( 58) = ( 0.5000000 0.0482546 -0.0482546), wk = 0.0031949 k( 59) = ( 0.5000000 0.0542865 -0.0542865), wk = 0.0031949 k( 60) = ( 0.5000000 0.0603183 -0.0603183), wk = 0.0031949 k( 61) = ( 0.5000000 0.0663501 -0.0663501), wk = 0.0031949 k( 62) = ( 0.5000000 0.0723820 -0.0723820), wk = 0.0031949 k( 63) = ( 0.5000000 0.0784138 -0.0784138), wk = 0.0031949 k( 64) = ( 0.5000000 0.0844456 -0.0844456), wk = 0.0031949 k( 65) = ( 0.5000000 0.0904775 -0.0904775), wk = 0.0031949 k( 66) = ( 0.5000000 0.0965093 -0.0965093), wk = 0.0031949 k( 67) = ( 0.5000000 0.1025411 -0.1025411), wk = 0.0031949 k( 68) = ( 0.5000000 0.1085729 -0.1085729), wk = 0.0031949 k( 69) = ( 0.5000000 0.1146048 -0.1146048), wk = 0.0031949 k( 70) = ( 0.5000000 0.1206366 -0.1206366), wk = 0.0031949 k( 71) = ( 0.5000000 0.1266684 -0.1266684), wk = 0.0031949 k( 72) = ( 0.5000000 0.1327003 -0.1327003), wk = 0.0031949 k( 73) = ( 0.5000000 0.1387321 -0.1387321), wk = 0.0031949 k( 74) = ( 0.5000000 0.1447639 -0.1447639), wk = 0.0031949 k( 75) = ( 0.5000000 0.1507958 -0.1507957), wk = 0.0031949 k( 76) = ( 0.5000000 0.1568276 -0.1568276), wk = 0.0031949 k( 77) = ( 0.5000000 0.1628594 -0.1628594), wk = 0.0031949 k( 78) = ( 0.5000000 0.1688912 -0.1688912), wk = 0.0031949 k( 79) = ( 0.5000000 0.1749231 -0.1749231), wk = 0.0031949 k( 80) = ( 0.5000000 0.1809549 -0.1809549), wk = 0.0031949 k( 81) = ( 0.8190451 0.5000000 0.1809549), wk = 0.0031949 k( 82) = ( 0.8130254 0.5000000 0.1869746), wk = 0.0031949 k( 83) = ( 0.8070057 0.5000000 0.1929943), wk = 0.0031949 k( 84) = ( 0.8009859 0.5000000 0.1990140), wk = 0.0031949 k( 85) = ( 0.7949662 0.5000000 0.2050338), wk = 0.0031949 k( 86) = ( 0.7889465 0.5000000 0.2110535), wk = 0.0031949 k( 87) = ( 0.7829268 0.5000000 0.2170732), wk = 0.0031949 k( 88) = ( 0.7769071 0.5000000 0.2230929), wk = 0.0031949 k( 89) = ( 0.7708873 0.5000000 0.2291126), wk = 0.0031949 k( 90) = ( 0.7648676 0.5000000 0.2351324), wk = 0.0031949 k( 91) = ( 0.7588479 0.5000000 0.2411521), wk = 0.0031949 k( 92) = ( 0.7528282 0.5000000 0.2471718), wk = 0.0031949 k( 93) = ( 0.7468085 0.5000000 0.2531915), wk = 0.0031949 k( 94) = ( 0.7407888 0.5000000 0.2592112), wk = 0.0031949 k( 95) = ( 0.7347690 0.5000000 0.2652310), wk = 0.0031949 k( 96) = ( 0.7287493 0.5000000 0.2712507), wk = 0.0031949 k( 97) = ( 0.7227296 0.5000000 0.2772704), wk = 0.0031949 k( 98) = ( 0.7167099 0.5000000 0.2832901), wk = 0.0031949 k( 99) = ( 0.7106902 0.5000000 0.2893098), wk = 0.0031949 k( 100) = ( 0.7046704 0.5000000 0.2953296), wk = 0.0031949 k( 101) = ( 0.6986507 0.5000000 0.3013493), wk = 0.0031949 k( 102) = ( 0.6926310 0.5000000 0.3073690), wk = 0.0031949 k( 103) = ( 0.6866113 0.5000000 0.3133887), wk = 0.0031949 k( 104) = ( 0.6805916 0.5000000 0.3194084), wk = 0.0031949 k( 105) = ( 0.6745718 0.5000000 0.3254281), wk = 0.0031949 k( 106) = ( 0.6685521 0.5000000 0.3314479), wk = 0.0031949 k( 107) = ( 0.6625324 0.5000000 0.3374676), wk = 0.0031949 k( 108) = ( 0.6565127 0.5000000 0.3434873), wk = 0.0031949 k( 109) = ( 0.6504930 0.5000000 0.3495070), wk = 0.0031949 k( 110) = ( 0.6444732 0.5000000 0.3555267), wk = 0.0031949 k( 111) = ( 0.6384535 0.5000000 0.3615465), wk = 0.0031949 k( 112) = ( 0.6324338 0.5000000 0.3675662), wk = 0.0031949 k( 113) = ( 0.6264141 0.5000000 0.3735859), wk = 0.0031949 k( 114) = ( 0.6203944 0.5000000 0.3796056), wk = 0.0031949 k( 115) = ( 0.6143747 0.5000000 0.3856253), wk = 0.0031949 k( 116) = ( 0.6083549 0.5000000 0.3916451), wk = 0.0031949 k( 117) = ( 0.6023352 0.5000000 0.3976648), wk = 0.0031949 k( 118) = ( 0.5963155 0.5000000 0.4036845), wk = 0.0031949 k( 119) = ( 0.5902958 0.5000000 0.4097042), wk = 0.0031949 k( 120) = ( 0.5842761 0.5000000 0.4157239), wk = 0.0031949 k( 121) = ( 0.5782563 0.5000000 0.4217436), wk = 0.0031949 k( 122) = ( 0.5722366 0.5000000 0.4277634), wk = 0.0031949 k( 123) = ( 0.5662169 0.5000000 0.4337831), wk = 0.0031949 k( 124) = ( 0.5601972 0.5000000 0.4398028), wk = 0.0031949 k( 125) = ( 0.5541775 0.5000000 0.4458225), wk = 0.0031949 k( 126) = ( 0.5481577 0.5000000 0.4518422), wk = 0.0031949 k( 127) = ( 0.5421380 0.5000000 0.4578620), wk = 0.0031949 k( 128) = ( 0.5361183 0.5000000 0.4638817), wk = 0.0031949 k( 129) = ( 0.5300986 0.5000000 0.4699014), wk = 0.0031949 k( 130) = ( 0.5240789 0.5000000 0.4759211), wk = 0.0031949 k( 131) = ( 0.5180592 0.5000000 0.4819408), wk = 0.0031949 k( 132) = ( 0.5120394 0.5000000 0.4879606), wk = 0.0031949 k( 133) = ( 0.5060197 0.5000000 0.4939803), wk = 0.0031949 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 136) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031949 k( 137) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0031949 k( 138) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031949 k( 139) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031949 k( 140) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031949 k( 141) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031949 k( 142) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031949 k( 143) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031949 k( 144) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031949 k( 145) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031949 k( 146) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031949 k( 147) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031949 k( 148) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031949 k( 149) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031949 k( 150) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031949 k( 151) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031949 k( 152) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031949 k( 153) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031949 k( 154) = ( 0.0476191 0.0476190 0.0476191), wk = 0.0031949 k( 155) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031949 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 158) = ( 0.0060799 0.0000000 -0.0060799), wk = 0.0031949 k( 159) = ( 0.0121599 0.0000000 -0.0121599), wk = 0.0031949 k( 160) = ( 0.0182399 0.0000000 -0.0182399), wk = 0.0031949 k( 161) = ( 0.0243198 0.0000000 -0.0243198), wk = 0.0031949 k( 162) = ( 0.0303998 0.0000000 -0.0303998), wk = 0.0031949 k( 163) = ( 0.0364797 -0.0000000 -0.0364797), wk = 0.0031949 k( 164) = ( 0.0425597 -0.0000000 -0.0425597), wk = 0.0031949 k( 165) = ( 0.0486396 0.0000000 -0.0486396), wk = 0.0031949 k( 166) = ( 0.0547196 0.0000000 -0.0547196), wk = 0.0031949 k( 167) = ( 0.0607995 0.0000000 -0.0607995), wk = 0.0031949 k( 168) = ( 0.0668795 0.0000000 -0.0668795), wk = 0.0031949 k( 169) = ( 0.0729594 0.0000000 -0.0729594), wk = 0.0031949 k( 170) = ( 0.0790394 0.0000000 -0.0790394), wk = 0.0031949 k( 171) = ( 0.0851194 -0.0000000 -0.0851194), wk = 0.0031949 k( 172) = ( 0.0911993 0.0000000 -0.0911993), wk = 0.0031949 k( 173) = ( 0.0972793 0.0000000 -0.0972793), wk = 0.0031949 k( 174) = ( 0.1033592 0.0000000 -0.1033592), wk = 0.0031949 k( 175) = ( 0.1094392 0.0000000 -0.1094392), wk = 0.0031949 k( 176) = ( 0.1155191 0.0000000 -0.1155191), wk = 0.0031949 k( 177) = ( 0.1215991 0.0000000 -0.1215991), wk = 0.0031949 k( 178) = ( 0.1276790 0.0000000 -0.1276790), wk = 0.0031949 k( 179) = ( 0.1337590 0.0000000 -0.1337590), wk = 0.0031949 k( 180) = ( 0.1398389 0.0000000 -0.1398389), wk = 0.0031949 k( 181) = ( 0.1459189 -0.0000000 -0.1459189), wk = 0.0031949 k( 182) = ( 0.1519989 0.0000000 -0.1519989), wk = 0.0031949 k( 183) = ( 0.1580788 0.0000000 -0.1580788), wk = 0.0031949 k( 184) = ( 0.1641588 0.0000000 -0.1641588), wk = 0.0031949 k( 185) = ( 0.1702387 -0.0000000 -0.1702387), wk = 0.0031949 k( 186) = ( 0.1763187 0.0000000 -0.1763187), wk = 0.0031949 k( 187) = ( 0.1823986 -0.0000000 -0.1823986), wk = 0.0031949 k( 188) = ( 0.1884786 0.0000000 -0.1884786), wk = 0.0031949 k( 189) = ( 0.1945585 0.0000000 -0.1945585), wk = 0.0031949 k( 190) = ( 0.2006385 0.0000000 -0.2006385), wk = 0.0031949 k( 191) = ( 0.2067184 0.0000000 -0.2067184), wk = 0.0031949 k( 192) = ( 0.2127984 -0.0000000 -0.2127984), wk = 0.0031949 k( 193) = ( 0.2188784 0.0000000 -0.2188784), wk = 0.0031949 k( 194) = ( 0.2249583 0.0000000 -0.2249583), wk = 0.0031949 k( 195) = ( 0.2310383 0.0000000 -0.2310383), wk = 0.0031949 k( 196) = ( 0.2371182 0.0000000 -0.2371182), wk = 0.0031949 k( 197) = ( 0.2431982 0.0000000 -0.2431982), wk = 0.0031949 k( 198) = ( 0.2492781 0.0000000 -0.2492781), wk = 0.0031949 k( 199) = ( 0.2553581 0.0000000 -0.2553581), wk = 0.0031949 k( 200) = ( 0.2614380 0.0000000 -0.2614380), wk = 0.0031949 k( 201) = ( 0.2675180 0.0000000 -0.2675180), wk = 0.0031949 k( 202) = ( 0.2735979 0.0000000 -0.2735979), wk = 0.0031949 k( 203) = ( 0.2796779 0.0000000 -0.2796779), wk = 0.0031949 k( 204) = ( 0.2857579 0.0000000 -0.2857579), wk = 0.0031949 k( 205) = ( 0.2918378 0.0000000 -0.2918378), wk = 0.0031949 k( 206) = ( 0.2979178 0.0000000 -0.2979178), wk = 0.0031949 k( 207) = ( 0.3039977 0.0000000 -0.3039977), wk = 0.0031949 k( 208) = ( 0.3100777 0.0000000 -0.3100777), wk = 0.0031949 k( 209) = ( 0.3161576 0.0000000 -0.3161576), wk = 0.0031949 k( 210) = ( 0.3222376 -0.0000000 -0.3222376), wk = 0.0031949 k( 211) = ( 0.3283175 0.0000000 -0.3283175), wk = 0.0031949 k( 212) = ( 0.3343975 0.0000000 -0.3343975), wk = 0.0031949 k( 213) = ( 0.3404775 0.0000000 -0.3404774), wk = 0.0031949 k( 214) = ( 0.6595226 0.3404775 -0.0000000), wk = 0.0031949 k( 215) = ( 0.6536143 0.3463857 -0.0000000), wk = 0.0031949 k( 216) = ( 0.6477061 0.3522939 -0.0000000), wk = 0.0031949 k( 217) = ( 0.6417978 0.3582022 0.0000000), wk = 0.0031949 k( 218) = ( 0.6358896 0.3641104 0.0000000), wk = 0.0031949 k( 219) = ( 0.6299813 0.3700187 0.0000000), wk = 0.0031949 k( 220) = ( 0.6240731 0.3759269 -0.0000000), wk = 0.0031949 k( 221) = ( 0.6181648 0.3818352 -0.0000000), wk = 0.0031949 k( 222) = ( 0.6122566 0.3877434 -0.0000000), wk = 0.0031949 k( 223) = ( 0.6063484 0.3936516 0.0000000), wk = 0.0031949 k( 224) = ( 0.6004401 0.3995599 0.0000000), wk = 0.0031949 k( 225) = ( 0.5945319 0.4054681 -0.0000000), wk = 0.0031949 k( 226) = ( 0.5886236 0.4113764 -0.0000000), wk = 0.0031949 k( 227) = ( 0.5827154 0.4172846 -0.0000000), wk = 0.0031949 k( 228) = ( 0.5768072 0.4231929 -0.0000000), wk = 0.0031949 k( 229) = ( 0.5708989 0.4291011 -0.0000000), wk = 0.0031949 k( 230) = ( 0.5649907 0.4350093 -0.0000000), wk = 0.0031949 k( 231) = ( 0.5590824 0.4409176 0.0000000), wk = 0.0031949 k( 232) = ( 0.5531742 0.4468258 -0.0000000), wk = 0.0031949 k( 233) = ( 0.5472659 0.4527341 -0.0000000), wk = 0.0031949 k( 234) = ( 0.5413577 0.4586423 -0.0000000), wk = 0.0031949 k( 235) = ( 0.5354495 0.4645505 -0.0000000), wk = 0.0031949 k( 236) = ( 0.5295412 0.4704588 0.0000000), wk = 0.0031949 k( 237) = ( 0.5236330 0.4763670 -0.0000000), wk = 0.0031949 k( 238) = ( 0.5177247 0.4822753 -0.0000000), wk = 0.0031949 k( 239) = ( 0.5118165 0.4881835 -0.0000000), wk = 0.0031949 k( 240) = ( 0.5059082 0.4940918 -0.0000000), wk = 0.0031949 k( 241) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 242) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031949 k( 243) = ( 0.5199403 0.5199403 0.0226194), wk = 0.0031949 k( 244) = ( 0.5398806 0.5398806 0.0452387), wk = 0.0031949 k( 245) = ( 0.5598210 0.5598210 0.0678581), wk = 0.0031949 k( 246) = ( 0.5797613 0.5797613 0.0904775), wk = 0.0031949 k( 247) = ( 0.5997016 0.5997016 0.1130968), wk = 0.0031949 k( 248) = ( 0.6196419 0.6196419 0.1357162), wk = 0.0031949 k( 249) = ( 0.6395822 0.6395822 0.1583355), wk = 0.0031949 k( 250) = ( 0.6595226 0.6595226 0.1809549), wk = 0.0031949 k( 251) = ( 0.6595226 0.6595226 0.1809549), wk = 0.0031949 k( 252) = ( 0.6560547 0.6560547 0.1878907), wk = 0.0031949 k( 253) = ( 0.6525868 0.6525868 0.1948264), wk = 0.0031949 k( 254) = ( 0.6491189 0.6491189 0.2017622), wk = 0.0031949 k( 255) = ( 0.6456510 0.6456510 0.2086979), wk = 0.0031949 k( 256) = ( 0.6421831 0.6421831 0.2156337), wk = 0.0031949 k( 257) = ( 0.6387153 0.6387153 0.2225695), wk = 0.0031949 k( 258) = ( 0.6352474 0.6352474 0.2295052), wk = 0.0031949 k( 259) = ( 0.6317795 0.6317795 0.2364410), wk = 0.0031949 k( 260) = ( 0.6283116 0.6283116 0.2433768), wk = 0.0031949 k( 261) = ( 0.6248437 0.6248437 0.2503125), wk = 0.0031949 k( 262) = ( 0.6213758 0.6213758 0.2572483), wk = 0.0031949 k( 263) = ( 0.6179080 0.6179080 0.2641840), wk = 0.0031949 k( 264) = ( 0.6144401 0.6144401 0.2711198), wk = 0.0031949 k( 265) = ( 0.6109722 0.6109722 0.2780556), wk = 0.0031949 k( 266) = ( 0.6075043 0.6075043 0.2849913), wk = 0.0031949 k( 267) = ( 0.6040364 0.6040364 0.2919271), wk = 0.0031949 k( 268) = ( 0.6005686 0.6005686 0.2988629), wk = 0.0031949 k( 269) = ( 0.5971007 0.5971007 0.3057986), wk = 0.0031949 k( 270) = ( 0.5936328 0.5936328 0.3127344), wk = 0.0031949 k( 271) = ( 0.5901649 0.5901649 0.3196702), wk = 0.0031949 k( 272) = ( 0.5866970 0.5866970 0.3266059), wk = 0.0031949 k( 273) = ( 0.5832292 0.5832292 0.3335417), wk = 0.0031949 k( 274) = ( 0.5797613 0.5797613 0.3404774), wk = 0.0031949 k( 275) = ( 0.5762934 0.5762934 0.3474132), wk = 0.0031949 k( 276) = ( 0.5728255 0.5728255 0.3543490), wk = 0.0031949 k( 277) = ( 0.5693576 0.5693576 0.3612847), wk = 0.0031949 k( 278) = ( 0.5658897 0.5658897 0.3682205), wk = 0.0031949 k( 279) = ( 0.5624219 0.5624219 0.3751563), wk = 0.0031949 k( 280) = ( 0.5589540 0.5589540 0.3820920), wk = 0.0031949 k( 281) = ( 0.5554861 0.5554861 0.3890278), wk = 0.0031949 k( 282) = ( 0.5520182 0.5520182 0.3959635), wk = 0.0031949 k( 283) = ( 0.5485503 0.5485503 0.4028993), wk = 0.0031949 k( 284) = ( 0.5450825 0.5450825 0.4098351), wk = 0.0031949 k( 285) = ( 0.5416146 0.5416146 0.4167708), wk = 0.0031949 k( 286) = ( 0.5381467 0.5381467 0.4237066), wk = 0.0031949 k( 287) = ( 0.5346788 0.5346788 0.4306424), wk = 0.0031949 k( 288) = ( 0.5312109 0.5312109 0.4375781), wk = 0.0031949 k( 289) = ( 0.5277430 0.5277430 0.4445139), wk = 0.0031949 k( 290) = ( 0.5242752 0.5242752 0.4514497), wk = 0.0031949 k( 291) = ( 0.5208073 0.5208073 0.4583854), wk = 0.0031949 k( 292) = ( 0.5173394 0.5173394 0.4653212), wk = 0.0031949 k( 293) = ( 0.5138715 0.5138715 0.4722569), wk = 0.0031949 k( 294) = ( 0.5104036 0.5104036 0.4791927), wk = 0.0031949 k( 295) = ( 0.5069358 0.5069358 0.4861285), wk = 0.0031949 k( 296) = ( 0.5034679 0.5034679 0.4930642), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 298) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031949 k( 299) = ( 0.5212697 0.0226985 0.0226985), wk = 0.0031949 k( 300) = ( 0.5425393 0.0453970 0.0453970), wk = 0.0031949 k( 301) = ( 0.5638090 0.0680955 0.0680955), wk = 0.0031949 k( 302) = ( 0.5850787 0.0907940 0.0907940), wk = 0.0031949 k( 303) = ( 0.6063484 0.1134925 0.1134925), wk = 0.0031949 k( 304) = ( 0.6276180 0.1361910 0.1361910), wk = 0.0031949 k( 305) = ( 0.6488877 0.1588895 0.1588895), wk = 0.0031949 k( 306) = ( 0.6701574 0.1815880 0.1815880), wk = 0.0031949 k( 307) = ( 0.6914271 0.2042865 0.2042865), wk = 0.0031949 k( 308) = ( 0.7126967 0.2269850 0.2269850), wk = 0.0031949 k( 309) = ( 0.7339664 0.2496835 0.2496835), wk = 0.0031949 k( 310) = ( 0.7552361 0.2723820 0.2723820), wk = 0.0031949 k( 311) = ( 0.7765058 0.2950804 0.2950804), wk = 0.0031949 k( 312) = ( 0.7977754 0.3177790 0.3177789), wk = 0.0031949 k( 313) = ( 0.8190451 0.3404775 0.3404774), wk = 0.0031949 Dense grid: 87991 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 31943 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 230, 40) NL pseudopotentials 0.24 Mb ( 115, 136) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.02 Mb ( 2444) G-vector shells 0.02 Mb ( 2068) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 230, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./RbScS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.8 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.6 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.8 secs Computing kpt #: 14 total cpu time spent up to now is 14.4 secs Computing kpt #: 15 total cpu time spent up to now is 15.0 secs Computing kpt #: 16 total cpu time spent up to now is 15.6 secs Computing kpt #: 17 total cpu time spent up to now is 16.2 secs Computing kpt #: 18 total cpu time spent up to now is 16.8 secs Computing kpt #: 19 total cpu time spent up to now is 17.3 secs Computing kpt #: 20 total cpu time spent up to now is 17.9 secs Computing kpt #: 21 total cpu time spent up to now is 18.5 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.3 secs Computing kpt #: 25 total cpu time spent up to now is 20.9 secs Computing kpt #: 26 total cpu time spent up to now is 21.4 secs Computing kpt #: 27 total cpu time spent up to now is 22.0 secs Computing kpt #: 28 total cpu time spent up to now is 22.6 secs Computing kpt #: 29 total cpu time spent up to now is 23.2 secs Computing kpt #: 30 total cpu time spent up to now is 23.8 secs Computing kpt #: 31 total cpu time spent up to now is 24.4 secs Computing kpt #: 32 total cpu time spent up to now is 25.0 secs Computing kpt #: 33 total cpu time spent up to now is 25.6 secs Computing kpt #: 34 total cpu time spent up to now is 26.2 secs Computing kpt #: 35 total cpu time spent up to now is 26.8 secs Computing kpt #: 36 total cpu time spent up to now is 27.4 secs Computing kpt #: 37 total cpu time spent up to now is 28.1 secs Computing kpt #: 38 total cpu time spent up to now is 28.8 secs Computing kpt #: 39 total cpu time spent up to now is 29.7 secs Computing kpt #: 40 total cpu time spent up to now is 30.5 secs Computing kpt #: 41 total cpu time spent up to now is 31.2 secs Computing kpt #: 42 total cpu time spent up to now is 31.9 secs Computing kpt #: 43 total cpu time spent up to now is 32.6 secs Computing kpt #: 44 total cpu time spent up to now is 33.3 secs Computing kpt #: 45 total cpu time spent up to now is 33.9 secs Computing kpt #: 46 total cpu time spent up to now is 34.6 secs Computing kpt #: 47 total cpu time spent up to now is 35.2 secs Computing kpt #: 48 total cpu time spent up to now is 35.8 secs Computing kpt #: 49 total cpu time spent up to now is 36.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.1 secs Computing kpt #: 51 total cpu time spent up to now is 37.8 secs Computing kpt #: 52 total cpu time spent up to now is 38.5 secs Computing kpt #: 53 total cpu time spent up to now is 39.2 secs Computing kpt #: 54 total cpu time spent up to now is 40.0 secs Computing kpt #: 55 total cpu time spent up to now is 40.7 secs Computing kpt #: 56 total cpu time spent up to now is 41.4 secs Computing kpt #: 57 total cpu time spent up to now is 42.0 secs Computing kpt #: 58 total cpu time spent up to now is 42.6 secs Computing kpt #: 59 total cpu time spent up to now is 43.2 secs Computing kpt #: 60 total cpu time spent up to now is 43.8 secs Computing kpt #: 61 total cpu time spent up to now is 44.4 secs Computing kpt #: 62 total cpu time spent up to now is 45.0 secs Computing kpt #: 63 total cpu time spent up to now is 45.6 secs Computing kpt #: 64 total cpu time spent up to now is 46.2 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.4 secs Computing kpt #: 67 total cpu time spent up to now is 48.0 secs Computing kpt #: 68 total cpu time spent up to now is 48.6 secs Computing kpt #: 69 total cpu time spent up to now is 49.2 secs Computing kpt #: 70 total cpu time spent up to now is 49.8 secs Computing kpt #: 71 total cpu time spent up to now is 50.4 secs Computing kpt #: 72 total cpu time spent up to now is 51.0 secs Computing kpt #: 73 total cpu time spent up to now is 51.6 secs Computing kpt #: 74 total cpu time spent up to now is 52.2 secs Computing kpt #: 75 total cpu time spent up to now is 52.8 secs Computing kpt #: 76 total cpu time spent up to now is 53.4 secs Computing kpt #: 77 total cpu time spent up to now is 54.0 secs Computing kpt #: 78 total cpu time spent up to now is 54.6 secs Computing kpt #: 79 total cpu time spent up to now is 55.2 secs Computing kpt #: 80 total cpu time spent up to now is 55.8 secs Computing kpt #: 81 total cpu time spent up to now is 56.5 secs Computing kpt #: 82 total cpu time spent up to now is 57.1 secs Computing kpt #: 83 total cpu time spent up to now is 57.7 secs Computing kpt #: 84 total cpu time spent up to now is 58.3 secs Computing kpt #: 85 total cpu time spent up to now is 59.0 secs Computing kpt #: 86 total cpu time spent up to now is 59.6 secs Computing kpt #: 87 total cpu time spent up to now is 60.4 secs Computing kpt #: 88 total cpu time spent up to now is 61.2 secs Computing kpt #: 89 total cpu time spent up to now is 61.9 secs Computing kpt #: 90 total cpu time spent up to now is 62.5 secs Computing kpt #: 91 total cpu time spent up to now is 63.1 secs Computing kpt #: 92 total cpu time spent up to now is 63.7 secs Computing kpt #: 93 total cpu time spent up to now is 64.3 secs Computing kpt #: 94 total cpu time spent up to now is 64.9 secs Computing kpt #: 95 total cpu time spent up to now is 65.5 secs Computing kpt #: 96 total cpu time spent up to now is 66.1 secs Computing kpt #: 97 total cpu time spent up to now is 66.7 secs Computing kpt #: 98 total cpu time spent up to now is 67.3 secs Computing kpt #: 99 total cpu time spent up to now is 68.0 secs Computing kpt #: 100 total cpu time spent up to now is 68.6 secs Computing kpt #: 101 total cpu time spent up to now is 69.3 secs Computing kpt #: 102 total cpu time spent up to now is 70.0 secs Computing kpt #: 103 total cpu time spent up to now is 70.7 secs Computing kpt #: 104 total cpu time spent up to now is 71.3 secs Computing kpt #: 105 total cpu time spent up to now is 71.9 secs Computing kpt #: 106 total cpu time spent up to now is 72.5 secs Computing kpt #: 107 total cpu time spent up to now is 73.1 secs Computing kpt #: 108 total cpu time spent up to now is 73.7 secs Computing kpt #: 109 total cpu time spent up to now is 74.3 secs Computing kpt #: 110 total cpu time spent up to now is 74.9 secs Computing kpt #: 111 total cpu time spent up to now is 75.4 secs Computing kpt #: 112 total cpu time spent up to now is 76.0 secs Computing kpt #: 113 total cpu time spent up to now is 76.6 secs Computing kpt #: 114 total cpu time spent up to now is 77.2 secs Computing kpt #: 115 total cpu time spent up to now is 77.8 secs Computing kpt #: 116 total cpu time spent up to now is 78.4 secs Computing kpt #: 117 total cpu time spent up to now is 79.0 secs Computing kpt #: 118 total cpu time spent up to now is 79.6 secs Computing kpt #: 119 total cpu time spent up to now is 80.2 secs Computing kpt #: 120 total cpu time spent up to now is 80.7 secs Computing kpt #: 121 total cpu time spent up to now is 81.3 secs Computing kpt #: 122 total cpu time spent up to now is 82.3 secs Computing kpt #: 123 total cpu time spent up to now is 82.9 secs Computing kpt #: 124 total cpu time spent up to now is 83.5 secs Computing kpt #: 125 total cpu time spent up to now is 84.1 secs Computing kpt #: 126 total cpu time spent up to now is 84.7 secs Computing kpt #: 127 total cpu time spent up to now is 85.3 secs Computing kpt #: 128 total cpu time spent up to now is 85.9 secs Computing kpt #: 129 total cpu time spent up to now is 86.6 secs Computing kpt #: 130 total cpu time spent up to now is 87.2 secs Computing kpt #: 131 total cpu time spent up to now is 87.8 secs Computing kpt #: 132 total cpu time spent up to now is 88.4 secs Computing kpt #: 133 total cpu time spent up to now is 89.1 secs Computing kpt #: 134 total cpu time spent up to now is 89.8 secs Computing kpt #: 135 total cpu time spent up to now is 90.5 secs Computing kpt #: 136 total cpu time spent up to now is 91.2 secs Computing kpt #: 137 total cpu time spent up to now is 91.9 secs Computing kpt #: 138 total cpu time spent up to now is 92.6 secs Computing kpt #: 139 total cpu time spent up to now is 93.3 secs Computing kpt #: 140 total cpu time spent up to now is 94.0 secs Computing kpt #: 141 total cpu time spent up to now is 94.6 secs Computing kpt #: 142 total cpu time spent up to now is 95.3 secs Computing kpt #: 143 total cpu time spent up to now is 95.8 secs Computing kpt #: 144 total cpu time spent up to now is 96.4 secs Computing kpt #: 145 total cpu time spent up to now is 97.0 secs Computing kpt #: 146 total cpu time spent up to now is 97.6 secs Computing kpt #: 147 total cpu time spent up to now is 98.2 secs Computing kpt #: 148 total cpu time spent up to now is 98.7 secs Computing kpt #: 149 total cpu time spent up to now is 99.3 secs Computing kpt #: 150 total cpu time spent up to now is 99.9 secs Computing kpt #: 151 total cpu time spent up to now is 100.4 secs Computing kpt #: 152 total cpu time spent up to now is 101.0 secs Computing kpt #: 153 total cpu time spent up to now is 101.6 secs Computing kpt #: 154 total cpu time spent up to now is 102.1 secs Computing kpt #: 155 total cpu time spent up to now is 102.7 secs Computing kpt #: 156 total cpu time spent up to now is 103.2 secs Computing kpt #: 157 total cpu time spent up to now is 103.8 secs Computing kpt #: 158 total cpu time spent up to now is 104.3 secs Computing kpt #: 159 total cpu time spent up to now is 104.9 secs Computing kpt #: 160 total cpu time spent up to now is 105.4 secs Computing kpt #: 161 total cpu time spent up to now is 106.0 secs Computing kpt #: 162 total cpu time spent up to now is 106.5 secs Computing kpt #: 163 total cpu time spent up to now is 107.1 secs Computing kpt #: 164 total cpu time spent up to now is 107.7 secs Computing kpt #: 165 total cpu time spent up to now is 108.3 secs Computing kpt #: 166 total cpu time spent up to now is 108.9 secs Computing kpt #: 167 total cpu time spent up to now is 109.5 secs Computing kpt #: 168 total cpu time spent up to now is 110.1 secs Computing kpt #: 169 total cpu time spent up to now is 110.7 secs Computing kpt #: 170 total cpu time spent up to now is 111.3 secs Computing kpt #: 171 total cpu time spent up to now is 111.9 secs Computing kpt #: 172 total cpu time spent up to now is 112.5 secs Computing kpt #: 173 total cpu time spent up to now is 113.1 secs Computing kpt #: 174 total cpu time spent up to now is 113.8 secs Computing kpt #: 175 total cpu time spent up to now is 114.4 secs Computing kpt #: 176 total cpu time spent up to now is 115.0 secs Computing kpt #: 177 total cpu time spent up to now is 115.6 secs Computing kpt #: 178 total cpu time spent up to now is 116.2 secs Computing kpt #: 179 total cpu time spent up to now is 116.8 secs Computing kpt #: 180 total cpu time spent up to now is 117.4 secs Computing kpt #: 181 total cpu time spent up to now is 118.0 secs Computing kpt #: 182 total cpu time spent up to now is 118.6 secs Computing kpt #: 183 total cpu time spent up to now is 119.1 secs Computing kpt #: 184 total cpu time spent up to now is 119.7 secs Computing kpt #: 185 total cpu time spent up to now is 120.3 secs Computing kpt #: 186 total cpu time spent up to now is 120.9 secs Computing kpt #: 187 total cpu time spent up to now is 121.5 secs Computing kpt #: 188 total cpu time spent up to now is 122.1 secs Computing kpt #: 189 total cpu time spent up to now is 122.6 secs Computing kpt #: 190 total cpu time spent up to now is 123.2 secs Computing kpt #: 191 total cpu time spent up to now is 123.8 secs Computing kpt #: 192 total cpu time spent up to now is 124.3 secs Computing kpt #: 193 total cpu time spent up to now is 124.9 secs Computing kpt #: 194 total cpu time spent up to now is 125.5 secs Computing kpt #: 195 total cpu time spent up to now is 126.1 secs Computing kpt #: 196 total cpu time spent up to now is 126.6 secs Computing kpt #: 197 total cpu time spent up to now is 127.2 secs Computing kpt #: 198 total cpu time spent up to now is 127.8 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 129.0 secs Computing kpt #: 201 total cpu time spent up to now is 129.6 secs Computing kpt #: 202 total cpu time spent up to now is 130.1 secs Computing kpt #: 203 total cpu time spent up to now is 130.7 secs Computing kpt #: 204 total cpu time spent up to now is 131.3 secs Computing kpt #: 205 total cpu time spent up to now is 131.9 secs Computing kpt #: 206 total cpu time spent up to now is 132.5 secs Computing kpt #: 207 total cpu time spent up to now is 133.1 secs Computing kpt #: 208 total cpu time spent up to now is 133.7 secs Computing kpt #: 209 total cpu time spent up to now is 134.3 secs Computing kpt #: 210 total cpu time spent up to now is 134.9 secs Computing kpt #: 211 total cpu time spent up to now is 135.5 secs Computing kpt #: 212 total cpu time spent up to now is 136.1 secs Computing kpt #: 213 total cpu time spent up to now is 136.7 secs Computing kpt #: 214 total cpu time spent up to now is 137.3 secs Computing kpt #: 215 total cpu time spent up to now is 137.9 secs Computing kpt #: 216 total cpu time spent up to now is 138.6 secs Computing kpt #: 217 total cpu time spent up to now is 139.3 secs Computing kpt #: 218 total cpu time spent up to now is 140.0 secs Computing kpt #: 219 total cpu time spent up to now is 140.6 secs Computing kpt #: 220 total cpu time spent up to now is 141.2 secs Computing kpt #: 221 total cpu time spent up to now is 141.8 secs Computing kpt #: 222 total cpu time spent up to now is 142.4 secs Computing kpt #: 223 total cpu time spent up to now is 143.0 secs Computing kpt #: 224 total cpu time spent up to now is 143.6 secs Computing kpt #: 225 total cpu time spent up to now is 144.2 secs Computing kpt #: 226 total cpu time spent up to now is 144.8 secs Computing kpt #: 227 total cpu time spent up to now is 145.4 secs Computing kpt #: 228 total cpu time spent up to now is 146.0 secs Computing kpt #: 229 total cpu time spent up to now is 146.5 secs Computing kpt #: 230 total cpu time spent up to now is 147.1 secs Computing kpt #: 231 total cpu time spent up to now is 147.7 secs Computing kpt #: 232 total cpu time spent up to now is 148.3 secs Computing kpt #: 233 total cpu time spent up to now is 148.9 secs Computing kpt #: 234 total cpu time spent up to now is 149.5 secs Computing kpt #: 235 total cpu time spent up to now is 150.1 secs Computing kpt #: 236 total cpu time spent up to now is 150.7 secs Computing kpt #: 237 total cpu time spent up to now is 151.3 secs Computing kpt #: 238 total cpu time spent up to now is 151.9 secs Computing kpt #: 239 total cpu time spent up to now is 152.6 secs Computing kpt #: 240 total cpu time spent up to now is 153.3 secs Computing kpt #: 241 total cpu time spent up to now is 154.0 secs Computing kpt #: 242 total cpu time spent up to now is 154.7 secs Computing kpt #: 243 total cpu time spent up to now is 155.4 secs Computing kpt #: 244 total cpu time spent up to now is 156.1 secs Computing kpt #: 245 total cpu time spent up to now is 156.8 secs Computing kpt #: 246 total cpu time spent up to now is 157.5 secs Computing kpt #: 247 total cpu time spent up to now is 158.2 secs Computing kpt #: 248 total cpu time spent up to now is 158.9 secs Computing kpt #: 249 total cpu time spent up to now is 159.6 secs Computing kpt #: 250 total cpu time spent up to now is 160.2 secs Computing kpt #: 251 total cpu time spent up to now is 160.9 secs Computing kpt #: 252 total cpu time spent up to now is 161.5 secs Computing kpt #: 253 total cpu time spent up to now is 162.2 secs Computing kpt #: 254 total cpu time spent up to now is 162.9 secs Computing kpt #: 255 total cpu time spent up to now is 163.6 secs Computing kpt #: 256 total cpu time spent up to now is 164.3 secs Computing kpt #: 257 total cpu time spent up to now is 165.0 secs Computing kpt #: 258 total cpu time spent up to now is 165.7 secs Computing kpt #: 259 total cpu time spent up to now is 166.4 secs Computing kpt #: 260 total cpu time spent up to now is 167.1 secs Computing kpt #: 261 total cpu time spent up to now is 167.8 secs Computing kpt #: 262 total cpu time spent up to now is 168.5 secs Computing kpt #: 263 total cpu time spent up to now is 169.1 secs Computing kpt #: 264 total cpu time spent up to now is 169.7 secs Computing kpt #: 265 total cpu time spent up to now is 170.3 secs Computing kpt #: 266 total cpu time spent up to now is 170.8 secs Computing kpt #: 267 total cpu time spent up to now is 171.4 secs Computing kpt #: 268 total cpu time spent up to now is 172.0 secs Computing kpt #: 269 total cpu time spent up to now is 172.6 secs Computing kpt #: 270 total cpu time spent up to now is 173.2 secs Computing kpt #: 271 total cpu time spent up to now is 173.7 secs Computing kpt #: 272 total cpu time spent up to now is 174.3 secs Computing kpt #: 273 total cpu time spent up to now is 174.9 secs Computing kpt #: 274 total cpu time spent up to now is 175.5 secs Computing kpt #: 275 total cpu time spent up to now is 176.0 secs Computing kpt #: 276 total cpu time spent up to now is 176.6 secs Computing kpt #: 277 total cpu time spent up to now is 177.2 secs Computing kpt #: 278 total cpu time spent up to now is 177.8 secs Computing kpt #: 279 total cpu time spent up to now is 178.4 secs Computing kpt #: 280 total cpu time spent up to now is 179.0 secs Computing kpt #: 281 total cpu time spent up to now is 179.5 secs Computing kpt #: 282 total cpu time spent up to now is 180.1 secs Computing kpt #: 283 total cpu time spent up to now is 180.7 secs Computing kpt #: 284 total cpu time spent up to now is 181.3 secs Computing kpt #: 285 total cpu time spent up to now is 181.9 secs Computing kpt #: 286 total cpu time spent up to now is 182.5 secs Computing kpt #: 287 total cpu time spent up to now is 183.1 secs Computing kpt #: 288 total cpu time spent up to now is 183.7 secs Computing kpt #: 289 total cpu time spent up to now is 184.3 secs Computing kpt #: 290 total cpu time spent up to now is 184.9 secs Computing kpt #: 291 total cpu time spent up to now is 185.5 secs Computing kpt #: 292 total cpu time spent up to now is 186.1 secs Computing kpt #: 293 total cpu time spent up to now is 186.7 secs Computing kpt #: 294 total cpu time spent up to now is 187.3 secs Computing kpt #: 295 total cpu time spent up to now is 187.9 secs Computing kpt #: 296 total cpu time spent up to now is 188.6 secs Computing kpt #: 297 total cpu time spent up to now is 189.3 secs Computing kpt #: 298 total cpu time spent up to now is 189.9 secs Computing kpt #: 299 total cpu time spent up to now is 190.5 secs Computing kpt #: 300 total cpu time spent up to now is 191.3 secs Computing kpt #: 301 total cpu time spent up to now is 191.9 secs Computing kpt #: 302 total cpu time spent up to now is 192.5 secs Computing kpt #: 303 total cpu time spent up to now is 193.1 secs Computing kpt #: 304 total cpu time spent up to now is 193.7 secs Computing kpt #: 305 total cpu time spent up to now is 194.3 secs Computing kpt #: 306 total cpu time spent up to now is 194.9 secs Computing kpt #: 307 total cpu time spent up to now is 195.5 secs Computing kpt #: 308 total cpu time spent up to now is 196.2 secs Computing kpt #: 309 total cpu time spent up to now is 196.8 secs Computing kpt #: 310 total cpu time spent up to now is 197.5 secs Computing kpt #: 311 total cpu time spent up to now is 198.1 secs Computing kpt #: 312 total cpu time spent up to now is 198.8 secs Computing kpt #: 313 total cpu time spent up to now is 199.4 secs ethr = 3.13E-08, avg # of iterations = 18.6 total cpu time spent up to now is 199.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3987 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9020 -20.9020 -19.8055 -19.8055 -5.4379 -5.4379 -5.1747 -5.1747 -4.0198 -4.0198 -3.3068 -3.3068 -3.0313 -3.0313 3.1413 3.1413 4.7388 4.7388 4.7756 4.7756 6.1448 6.1448 6.4687 6.4687 6.5287 6.5287 8.9838 8.9838 8.9854 8.9854 9.0778 9.0778 10.0958 10.0958 k = 0.0104-0.0195-0.0117 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9020 -20.9020 -19.8054 -19.8054 -5.4374 -5.4374 -5.1742 -5.1742 -4.0202 -4.0202 -3.3074 -3.3074 -3.0317 -3.0317 3.1427 3.1427 4.7379 4.7379 4.7748 4.7748 6.1451 6.1451 6.4645 6.4645 6.5245 6.5245 8.9850 8.9850 8.9871 8.9871 9.0794 9.0794 10.0992 10.0992 k = 0.0208-0.0389-0.0234 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9458 -20.9458 -20.9022 -20.9022 -19.8051 -19.8051 -5.4358 -5.4358 -5.1724 -5.1724 -4.0216 -4.0216 -3.3093 -3.3093 -3.0330 -3.0330 3.1469 3.1469 4.7349 4.7349 4.7727 4.7727 6.1457 6.1457 6.4511 6.4511 6.5130 6.5130 8.9871 8.9871 8.9934 8.9934 9.0844 9.0844 10.1095 10.1095 k = 0.0312-0.0584-0.0351 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4371 -21.4371 -20.9458 -20.9458 -20.9024 -20.9024 -19.8046 -19.8046 -5.4332 -5.4332 -5.1695 -5.1695 -4.0240 -4.0240 -3.3122 -3.3122 -3.0352 -3.0352 3.1540 3.1540 4.7288 4.7288 4.7705 4.7705 6.1467 6.1467 6.4265 6.4265 6.4968 6.4968 8.9896 8.9896 9.0041 9.0041 9.0929 9.0929 10.1262 10.1262 k = 0.0417-0.0778-0.0468 ( 3979 PWs) bands (ev): -42.5175 -42.5175 -21.4372 -21.4372 -20.9459 -20.9459 -20.9028 -20.9028 -19.8039 -19.8039 -5.4296 -5.4296 -5.1655 -5.1655 -4.0272 -4.0272 -3.3164 -3.3164 -3.0382 -3.0382 3.1638 3.1638 4.7185 4.7185 4.7693 4.7693 6.1476 6.1476 6.3895 6.3895 6.4783 6.4783 8.9920 8.9920 9.0189 9.0189 9.1054 9.1054 10.1490 10.1490 k = 0.0521-0.0973-0.0585 ( 3978 PWs) bands (ev): -42.5175 -42.5175 -21.4374 -21.4374 -20.9460 -20.9460 -20.9033 -20.9033 -19.8031 -19.8031 -5.4249 -5.4249 -5.1604 -5.1604 -4.0313 -4.0313 -3.3217 -3.3217 -3.0420 -3.0420 3.1762 3.1762 4.7038 4.7038 4.7695 4.7695 6.1477 6.1477 6.3411 6.3411 6.4582 6.4582 8.9936 8.9936 9.0375 9.0375 9.1220 9.1220 10.1770 10.1770 k = 0.0625-0.1167-0.0702 ( 3980 PWs) bands (ev): -42.5174 -42.5174 -21.4377 -21.4377 -20.9461 -20.9461 -20.9038 -20.9038 -19.8020 -19.8020 -5.4193 -5.4193 -5.1542 -5.1542 -4.0363 -4.0363 -3.3281 -3.3281 -3.0466 -3.0466 3.1913 3.1913 4.6851 4.6851 4.7710 4.7710 6.1455 6.1455 6.2843 6.2843 6.4361 6.4361 8.9939 8.9939 9.0596 9.0596 9.1426 9.1426 10.2094 10.2094 k = 0.0729-0.1362-0.0819 ( 3986 PWs) bands (ev): -42.5173 -42.5173 -21.4380 -21.4380 -20.9463 -20.9463 -20.9045 -20.9045 -19.8007 -19.8007 -5.4125 -5.4125 -5.1471 -5.1471 -4.0421 -4.0421 -3.3355 -3.3355 -3.0519 -3.0519 3.2089 3.2089 4.6628 4.6628 4.7735 4.7735 6.1348 6.1348 6.2267 6.2267 6.4120 6.4120 8.9926 8.9926 9.0850 9.0850 9.1670 9.1670 10.2451 10.2451 k = 0.0833-0.1556-0.0936 ( 3991 PWs) bands (ev): -42.5173 -42.5173 -21.4384 -21.4384 -20.9464 -20.9464 -20.9053 -20.9053 -19.7993 -19.7993 -5.4048 -5.4048 -5.1390 -5.1390 -4.0488 -4.0488 -3.3439 -3.3439 -3.0579 -3.0579 3.2288 3.2288 4.6376 4.6376 4.7769 4.7769 6.0962 6.0962 6.1889 6.1889 6.3857 6.3857 8.9897 8.9897 9.1131 9.1131 9.1949 9.1949 10.2825 10.2825 k = 0.0938-0.1751-0.1053 ( 3986 PWs) bands (ev): -42.5172 -42.5172 -21.4387 -21.4387 -20.9466 -20.9466 -20.9061 -20.9061 -19.7977 -19.7977 -5.3961 -5.3961 -5.1301 -5.1301 -4.0562 -4.0562 -3.3532 -3.3532 -3.0646 -3.0646 3.2510 3.2510 4.6097 4.6097 4.7809 4.7809 6.0256 6.0256 6.1760 6.1760 6.3575 6.3575 8.9851 8.9851 9.1436 9.1436 9.2257 9.2257 10.3197 10.3197 k = 0.1042-0.1945-0.1170 ( 3986 PWs) bands (ev): -42.5171 -42.5171 -21.4392 -21.4392 -20.9468 -20.9468 -20.9070 -20.9070 -19.7959 -19.7959 -5.3863 -5.3863 -5.1204 -5.1204 -4.0643 -4.0643 -3.3633 -3.3633 -3.0719 -3.0719 3.2752 3.2752 4.5797 4.5797 4.7855 4.7855 5.9413 5.9413 6.1707 6.1707 6.3276 6.3276 8.9790 8.9790 9.1762 9.1762 9.2591 9.2591 10.3544 10.3544 k = 0.1146-0.2140-0.1287 ( 3983 PWs) bands (ev): -42.5169 -42.5169 -21.4396 -21.4396 -20.9470 -20.9470 -20.9080 -20.9080 -19.7940 -19.7940 -5.3756 -5.3756 -5.1100 -5.1100 -4.0731 -4.0731 -3.3741 -3.3741 -3.0798 -3.0798 3.3013 3.3013 4.5476 4.5476 4.7906 4.7906 5.8506 5.8506 6.1663 6.1663 6.2965 6.2965 8.9714 8.9714 9.2105 9.2105 9.2946 9.2946 10.3836 10.3836 k = 0.1250-0.2334-0.1404 ( 3977 PWs) bands (ev): -42.5168 -42.5168 -21.4401 -21.4401 -20.9473 -20.9473 -20.9091 -20.9091 -19.7919 -19.7919 -5.3639 -5.3639 -5.0990 -5.0990 -4.0825 -4.0825 -3.3857 -3.3857 -3.0882 -3.0882 3.3292 3.3292 4.5141 4.5141 4.7962 4.7962 5.7559 5.7559 6.1607 6.1607 6.2647 6.2647 8.9623 8.9623 9.2459 9.2459 9.3319 9.3319 10.4046 10.4046 k = 0.1354-0.2529-0.1521 ( 3980 PWs) bands (ev): -42.5167 -42.5167 -21.4407 -21.4407 -20.9476 -20.9476 -20.9102 -20.9102 -19.7897 -19.7897 -5.3513 -5.3513 -5.0875 -5.0875 -4.0924 -4.0924 -3.3978 -3.3978 -3.0971 -3.0971 3.3584 3.3584 4.4791 4.4791 4.8021 4.8021 5.6588 5.6588 6.1526 6.1526 6.2332 6.2332 8.9520 8.9520 9.2822 9.2822 9.3705 9.3705 10.4163 10.4163 k = 0.1458-0.2723-0.1638 ( 3980 PWs) bands (ev): -42.5166 -42.5166 -21.4413 -21.4413 -20.9479 -20.9479 -20.9113 -20.9113 -19.7873 -19.7873 -5.3378 -5.3378 -5.0755 -5.0755 -4.1027 -4.1027 -3.4103 -3.4103 -3.1065 -3.1065 3.3889 3.3889 4.4431 4.4431 4.8085 4.8085 5.5602 5.5602 6.1399 6.1399 6.2036 6.2036 8.9404 8.9404 9.3190 9.3190 9.4102 9.4102 10.4200 10.4200 k = 0.1562-0.2918-0.1755 ( 3982 PWs) bands (ev): -42.5164 -42.5164 -21.4419 -21.4419 -20.9483 -20.9483 -20.9125 -20.9125 -19.7848 -19.7848 -5.3235 -5.3235 -5.0633 -5.0633 -4.1134 -4.1134 -3.4232 -3.4232 -3.1163 -3.1163 3.4204 3.4204 4.4063 4.4063 4.8151 4.8151 5.4611 5.4611 6.1204 6.1204 6.1785 6.1785 8.9278 8.9278 9.3559 9.3559 9.4506 9.4506 10.4179 10.4179 k = 0.1667-0.3112-0.1872 ( 3984 PWs) bands (ev): -42.5163 -42.5163 -21.4425 -21.4425 -20.9487 -20.9487 -20.9137 -20.9137 -19.7822 -19.7822 -5.3085 -5.3085 -5.0507 -5.0507 -4.1243 -4.1243 -3.4365 -3.4365 -3.1264 -3.1264 3.4525 3.4525 4.3689 4.3689 4.8220 4.8220 5.3621 5.3621 6.0932 6.0932 6.1585 6.1585 8.9142 8.9142 9.3927 9.3927 9.4914 9.4914 10.4124 10.4124 k = 0.1771-0.3307-0.1989 ( 3982 PWs) bands (ev): -42.5161 -42.5161 -21.4432 -21.4432 -20.9491 -20.9491 -20.9150 -20.9150 -19.7795 -19.7795 -5.2927 -5.2927 -5.0380 -5.0380 -4.1353 -4.1353 -3.4499 -3.4499 -3.1370 -3.1370 3.4848 3.4848 4.3312 4.3312 4.8292 4.8292 5.2642 5.2642 6.0610 6.0610 6.1410 6.1410 8.8998 8.8998 9.4289 9.4289 9.5324 9.5324 10.4054 10.4054 k = 0.1875-0.3501-0.2106 ( 3982 PWs) bands (ev): -42.5159 -42.5159 -21.4439 -21.4439 -20.9496 -20.9496 -20.9162 -20.9162 -19.7767 -19.7767 -5.2764 -5.2764 -5.0252 -5.0252 -4.1463 -4.1463 -3.4634 -3.4634 -3.1478 -3.1478 3.5171 3.5171 4.2933 4.2933 4.8366 4.8366 5.1680 5.1680 6.0263 6.0263 6.1238 6.1238 8.8846 8.8846 9.4643 9.4643 9.5732 9.5732 10.3980 10.3980 k = 0.1979-0.3696-0.2223 ( 3984 PWs) bands (ev): -42.5158 -42.5158 -21.4446 -21.4446 -20.9501 -20.9501 -20.9174 -20.9174 -19.7738 -19.7738 -5.2597 -5.2597 -5.0123 -5.0123 -4.1573 -4.1573 -3.4769 -3.4769 -3.1590 -3.1590 3.5487 3.5487 4.2554 4.2554 4.8442 4.8442 5.0743 5.0743 5.9905 5.9905 6.1054 6.1054 8.8688 8.8688 9.4987 9.4987 9.6136 9.6136 10.3911 10.3911 k = 0.2083-0.3890-0.2340 ( 3972 PWs) bands (ev): -42.5156 -42.5156 -21.4454 -21.4454 -20.9507 -20.9507 -20.9186 -20.9186 -19.7709 -19.7709 -5.2426 -5.2426 -4.9993 -4.9993 -4.1680 -4.1680 -3.4904 -3.4904 -3.1704 -3.1704 3.5791 3.5791 4.2178 4.2178 4.8519 4.8519 4.9840 4.9840 5.9543 5.9543 6.0853 6.0853 8.8526 8.8526 9.5319 9.5319 9.6534 9.6534 10.3852 10.3852 k = 0.2188-0.4085-0.2457 ( 3969 PWs) bands (ev): -42.5154 -42.5154 -21.4461 -21.4461 -20.9513 -20.9513 -20.9198 -20.9198 -19.7679 -19.7679 -5.2255 -5.2255 -4.9863 -4.9863 -4.1784 -4.1784 -3.5038 -3.5038 -3.1820 -3.1820 3.6076 3.6076 4.1805 4.1805 4.8593 4.8593 4.8982 4.8982 5.9181 5.9181 6.0632 6.0632 8.8360 8.8360 9.5636 9.5636 9.6921 9.6921 10.3809 10.3809 k = 0.2292-0.4280-0.2575 ( 3965 PWs) bands (ev): -42.5152 -42.5152 -21.4469 -21.4469 -20.9520 -20.9520 -20.9210 -20.9210 -19.7649 -19.7649 -5.2084 -5.2084 -4.9731 -4.9731 -4.1884 -4.1884 -3.5170 -3.5170 -3.1939 -3.1939 3.6333 3.6333 4.1437 4.1437 4.8159 4.8159 4.8684 4.8684 5.8821 5.8821 6.0391 6.0391 8.8191 8.8191 9.5939 9.5939 9.7295 9.7295 10.3787 10.3787 k = 0.2396-0.4474-0.2692 ( 3969 PWs) bands (ev): -42.5151 -42.5151 -21.4477 -21.4477 -20.9527 -20.9527 -20.9221 -20.9221 -19.7618 -19.7618 -5.1918 -5.1918 -4.9597 -4.9597 -4.1978 -4.1978 -3.5300 -3.5300 -3.2059 -3.2059 3.6553 3.6553 4.1076 4.1076 4.7415 4.7415 4.8761 4.8761 5.8466 5.8466 6.0128 6.0128 8.8022 8.8022 9.6226 9.6226 9.7650 9.7650 10.3789 10.3789 k = 0.2500-0.4669-0.2809 ( 3967 PWs) bands (ev): -42.5149 -42.5149 -21.4485 -21.4485 -20.9534 -20.9534 -20.9232 -20.9232 -19.7587 -19.7587 -5.1758 -5.1758 -4.9458 -4.9458 -4.2066 -4.2066 -3.5426 -3.5426 -3.2181 -3.2181 3.6723 3.6723 4.0722 4.0722 4.6743 4.6743 4.8840 4.8840 5.8117 5.8117 5.9844 5.9844 8.7853 8.7853 9.6496 9.6496 9.7981 9.7981 10.3823 10.3823 k = 0.2604-0.4863-0.2926 ( 3964 PWs) bands (ev): -42.5147 -42.5147 -21.4493 -21.4493 -20.9542 -20.9542 -20.9242 -20.9242 -19.7556 -19.7556 -5.1608 -5.1608 -4.9314 -4.9314 -4.2147 -4.2147 -3.5550 -3.5550 -3.2304 -3.2304 3.6831 3.6831 4.0378 4.0378 4.6162 4.6162 4.8919 4.8919 5.7775 5.7775 5.9541 5.9541 8.7685 8.7685 9.6749 9.6749 9.8284 9.8284 10.3892 10.3892 k = 0.2708-0.5058-0.3043 ( 3968 PWs) bands (ev): -42.5145 -42.5145 -21.4501 -21.4501 -20.9551 -20.9551 -20.9251 -20.9251 -19.7525 -19.7525 -5.1471 -5.1471 -4.9162 -4.9162 -4.2220 -4.2220 -3.5669 -3.5669 -3.2428 -3.2428 3.6863 3.6863 4.0044 4.0044 4.5683 4.5683 4.8997 4.8997 5.7441 5.7441 5.9218 5.9218 8.7520 8.7520 9.6985 9.6985 9.8552 9.8552 10.4001 10.4001 k = 0.2812-0.5252-0.3160 ( 3964 PWs) bands (ev): -42.5144 -42.5144 -21.4509 -21.4509 -20.9560 -20.9560 -20.9260 -20.9260 -19.7495 -19.7495 -5.1349 -5.1349 -4.8999 -4.8999 -4.2287 -4.2287 -3.5785 -3.5785 -3.2553 -3.2553 3.6812 3.6812 3.9721 3.9721 4.5317 4.5317 4.9075 4.9075 5.7116 5.7116 5.8877 5.8877 8.7358 8.7358 9.7206 9.7206 9.8783 9.8783 10.4153 10.4153 k = 0.2917-0.5447-0.3277 ( 3968 PWs) bands (ev): -42.5142 -42.5142 -21.4518 -21.4518 -20.9569 -20.9569 -20.9269 -20.9269 -19.7465 -19.7465 -5.1246 -5.1246 -4.8825 -4.8825 -4.2346 -4.2346 -3.5897 -3.5897 -3.2678 -3.2678 3.6674 3.6674 3.9409 3.9409 4.5069 4.5069 4.9152 4.9152 5.6801 5.6801 5.8520 5.8520 8.7201 8.7201 9.7411 9.7411 9.8973 9.8973 10.4349 10.4349 k = 0.3021-0.5641-0.3394 ( 3970 PWs) bands (ev): -42.5140 -42.5140 -21.4526 -21.4526 -20.9579 -20.9579 -20.9276 -20.9276 -19.7435 -19.7435 -5.1163 -5.1163 -4.8638 -4.8638 -4.2398 -4.2398 -3.6004 -3.6004 -3.2803 -3.2803 3.6453 3.6453 3.9107 3.9107 4.4935 4.4935 4.9227 4.9227 5.6496 5.6496 5.8148 5.8148 8.7049 8.7049 9.7601 9.7601 9.9125 9.9125 10.4583 10.4583 k = 0.3125-0.5836-0.3511 ( 3974 PWs) bands (ev): -42.5138 -42.5138 -21.4534 -21.4534 -20.9589 -20.9589 -20.9283 -20.9283 -19.7406 -19.7406 -5.1099 -5.1099 -4.8437 -4.8437 -4.2443 -4.2443 -3.6106 -3.6106 -3.2928 -3.2928 3.6161 3.6161 3.8816 3.8816 4.4906 4.4906 4.9300 4.9300 5.6203 5.6203 5.7763 5.7763 8.6903 8.6903 9.7778 9.7778 9.9241 9.9241 10.4847 10.4847 k = 0.3229-0.6030-0.3628 ( 3976 PWs) bands (ev): -42.5137 -42.5137 -21.4541 -21.4541 -20.9599 -20.9599 -20.9290 -20.9290 -19.7377 -19.7377 -5.1055 -5.1055 -4.8225 -4.8225 -4.2483 -4.2483 -3.6204 -3.6204 -3.3052 -3.3052 3.5815 3.5815 3.8536 3.8536 4.4965 4.4965 4.9372 4.9372 5.5921 5.5921 5.7367 5.7367 8.6764 8.6764 9.7941 9.7941 9.9327 9.9327 10.5129 10.5129 k = 0.3333-0.6225-0.3745 ( 3973 PWs) bands (ev): -42.5135 -42.5135 -21.4549 -21.4549 -20.9608 -20.9608 -20.9296 -20.9296 -19.7350 -19.7350 -5.1028 -5.1028 -4.8001 -4.8001 -4.2519 -4.2519 -3.6298 -3.6298 -3.3174 -3.3174 3.5432 3.5432 3.8269 3.8269 4.5096 4.5096 4.9441 4.9441 5.5650 5.5650 5.6962 5.6962 8.6631 8.6631 9.8093 9.8093 9.9389 9.9389 10.5413 10.5413 k = 0.3438-0.6419-0.3862 ( 3977 PWs) bands (ev): -42.5134 -42.5134 -21.4556 -21.4556 -20.9618 -20.9618 -20.9301 -20.9301 -19.7324 -19.7324 -5.1017 -5.1017 -4.7769 -4.7769 -4.2551 -4.2551 -3.6386 -3.6386 -3.3294 -3.3294 3.5026 3.5026 3.8014 3.8014 4.5283 4.5283 4.9509 4.9509 5.5391 5.5391 5.6551 5.6551 8.6505 8.6505 9.8233 9.8233 9.9433 9.9433 10.5680 10.5680 k = 0.3542-0.6614-0.3979 ( 3983 PWs) bands (ev): -42.5132 -42.5132 -21.4563 -21.4563 -20.9628 -20.9628 -20.9306 -20.9306 -19.7298 -19.7298 -5.1020 -5.1020 -4.7530 -4.7530 -4.2581 -4.2581 -3.6470 -3.6470 -3.3412 -3.3412 3.4612 3.4612 3.7774 3.7774 4.5513 4.5513 4.9573 4.9573 5.5142 5.5142 5.6137 5.6137 8.6387 8.6387 9.8362 9.8362 9.9465 9.9465 10.5912 10.5912 k = 0.3646-0.6808-0.4096 ( 3985 PWs) bands (ev): -42.5131 -42.5131 -21.4570 -21.4570 -20.9637 -20.9637 -20.9310 -20.9310 -19.7274 -19.7274 -5.1033 -5.1033 -4.7286 -4.7286 -4.2610 -4.2610 -3.6549 -3.6549 -3.3527 -3.3527 3.4200 3.4200 3.7548 3.7548 4.5776 4.5776 4.9634 4.9634 5.4902 5.4902 5.5724 5.5724 8.6276 8.6276 9.8482 9.8482 9.9491 9.9491 10.6090 10.6090 k = 0.3750-0.7003-0.4213 ( 3987 PWs) bands (ev): -42.5129 -42.5129 -21.4577 -21.4577 -20.9646 -20.9646 -20.9314 -20.9314 -19.7251 -19.7251 -5.1055 -5.1055 -4.7040 -4.7040 -4.2640 -4.2640 -3.6623 -3.6623 -3.3638 -3.3638 3.3799 3.3799 3.7337 3.7337 4.6062 4.6062 4.9693 4.9693 5.4666 5.4666 5.5319 5.5319 8.6173 8.6173 9.8592 9.8592 9.9513 9.9513 10.6205 10.6205 k = 0.3854-0.7197-0.4330 ( 3989 PWs) bands (ev): -42.5128 -42.5128 -21.4583 -21.4583 -20.9655 -20.9655 -20.9317 -20.9317 -19.7230 -19.7230 -5.1084 -5.1084 -4.6795 -4.6795 -4.2670 -4.2670 -3.6692 -3.6692 -3.3744 -3.3744 3.3416 3.3416 3.7142 3.7142 4.6366 4.6366 4.9748 4.9748 5.4421 5.4421 5.4936 5.4936 8.6078 8.6078 9.8692 9.8692 9.9536 9.9536 10.6254 10.6254 k = 0.3958-0.7392-0.4447 ( 3997 PWs) bands (ev): -42.5127 -42.5127 -21.4588 -21.4588 -20.9663 -20.9663 -20.9320 -20.9320 -19.7210 -19.7210 -5.1117 -5.1117 -4.6552 -4.6552 -4.2704 -4.2704 -3.6756 -3.6756 -3.3845 -3.3845 3.3055 3.3055 3.6962 3.6962 4.6683 4.6683 4.9800 4.9800 5.4141 5.4141 5.4605 5.4605 8.5991 8.5991 9.8784 9.8784 9.9559 9.9559 10.6246 10.6246 k = 0.4062-0.7586-0.4564 ( 3994 PWs) bands (ev): -42.5126 -42.5126 -21.4594 -21.4594 -20.9670 -20.9670 -20.9323 -20.9323 -19.7192 -19.7192 -5.1152 -5.1152 -4.6314 -4.6314 -4.2740 -4.2740 -3.6815 -3.6815 -3.3940 -3.3940 3.2721 3.2721 3.6799 3.6799 4.7011 4.7011 4.9848 4.9848 5.3803 5.3803 5.4349 5.4349 8.5912 8.5912 9.8868 9.8868 9.9585 9.9585 10.6192 10.6192 k = 0.4167-0.7781-0.4681 ( 3991 PWs) bands (ev): -42.5125 -42.5125 -21.4598 -21.4598 -20.9677 -20.9677 -20.9325 -20.9325 -19.7175 -19.7175 -5.1188 -5.1188 -4.6085 -4.6085 -4.2780 -4.2780 -3.6869 -3.6869 -3.4027 -3.4027 3.2416 3.2416 3.6653 3.6653 4.7346 4.7346 4.9892 4.9892 5.3423 5.3423 5.4154 5.4154 8.5840 8.5840 9.8943 9.8943 9.9613 9.9613 10.6108 10.6108 k = 0.4271-0.7975-0.4798 ( 3993 PWs) bands (ev): -42.5124 -42.5124 -21.4602 -21.4602 -20.9683 -20.9683 -20.9327 -20.9327 -19.7161 -19.7161 -5.1223 -5.1223 -4.5866 -4.5866 -4.2824 -4.2824 -3.6917 -3.6917 -3.4107 -3.4107 3.2144 3.2144 3.6523 3.6523 4.7686 4.7686 4.9932 4.9932 5.3026 5.3026 5.3997 5.3997 8.5777 8.5777 9.9009 9.9009 9.9643 9.9643 10.6008 10.6008 k = 0.4375-0.8170-0.4915 ( 3993 PWs) bands (ev): -42.5124 -42.5124 -21.4606 -21.4606 -20.9689 -20.9689 -20.9329 -20.9329 -19.7148 -19.7148 -5.1256 -5.1256 -4.5662 -4.5662 -4.2871 -4.2871 -3.6960 -3.6960 -3.4178 -3.4178 3.1905 3.1905 3.6411 3.6411 4.8031 4.8031 4.9968 4.9968 5.2625 5.2625 5.3867 5.3867 8.5722 8.5722 9.9067 9.9067 9.9674 9.9674 10.5901 10.5901 k = 0.4479-0.8365-0.5032 ( 4002 PWs) bands (ev): -42.5123 -42.5123 -21.4610 -21.4610 -20.9694 -20.9694 -20.9330 -20.9330 -19.7137 -19.7137 -5.1286 -5.1286 -4.5476 -4.5476 -4.2919 -4.2919 -3.6996 -3.6996 -3.4239 -3.4239 3.1700 3.1700 3.6315 3.6315 4.8379 4.8379 4.9998 4.9998 5.2225 5.2225 5.3759 5.3759 8.5675 8.5675 9.9117 9.9117 9.9704 9.9704 10.5799 10.5799 k = 0.4583-0.8559-0.5149 ( 3999 PWs) bands (ev): -42.5122 -42.5122 -21.4612 -21.4612 -20.9698 -20.9698 -20.9331 -20.9331 -19.7128 -19.7128 -5.1312 -5.1312 -4.5312 -4.5312 -4.2967 -4.2967 -3.7027 -3.7027 -3.4290 -3.4290 3.1532 3.1532 3.6236 3.6236 4.8730 4.8730 5.0023 5.0023 5.1831 5.1831 5.3672 5.3672 8.5636 8.5636 9.9157 9.9157 9.9732 9.9732 10.5706 10.5706 k = 0.4688-0.8754-0.5266 ( 3998 PWs) bands (ev): -42.5122 -42.5122 -21.4614 -21.4614 -20.9701 -20.9701 -20.9332 -20.9332 -19.7120 -19.7120 -5.1332 -5.1332 -4.5175 -4.5175 -4.3012 -4.3012 -3.7051 -3.7051 -3.4331 -3.4331 3.1401 3.1401 3.6175 3.6175 4.9081 4.9081 5.0042 5.0042 5.1446 5.1446 5.3604 5.3604 8.5606 8.5606 9.9189 9.9189 9.9755 9.9755 10.5629 10.5629 k = 0.4792-0.8948-0.5383 ( 4000 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9703 -20.9703 -20.9333 -20.9333 -19.7115 -19.7115 -5.1347 -5.1347 -4.5071 -4.5071 -4.3048 -4.3048 -3.7069 -3.7069 -3.4360 -3.4360 3.1307 3.1307 3.6132 3.6132 4.9427 4.9427 5.0054 5.0054 5.1077 5.1077 5.3556 5.3556 8.5585 8.5585 9.9212 9.9212 9.9774 9.9774 10.5572 10.5572 k = 0.4896-0.9143-0.5500 ( 3998 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1357 -5.1357 -4.5006 -4.5006 -4.3073 -4.3073 -3.7079 -3.7079 -3.4378 -3.4378 3.1250 3.1250 3.6106 3.6106 4.9752 4.9752 5.0051 5.0051 5.0748 5.0748 5.3527 5.3527 8.5572 8.5572 9.9226 9.9226 9.9785 9.9785 10.5536 10.5536 k = 0.5000-0.9337-0.5617 ( 4004 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9705 -20.9705 -20.9333 -20.9333 -19.7111 -19.7111 -5.1360 -5.1360 -4.4984 -4.4984 -4.3081 -4.3081 -3.7083 -3.7083 -3.4384 -3.4384 3.1231 3.1231 3.6097 3.6097 4.9975 4.9975 4.9995 4.9995 5.0579 5.0579 5.3518 5.3518 8.5568 8.5568 9.9230 9.9230 9.9789 9.9789 10.5524 10.5524 k = 0.5000-0.9337-0.5617 ( 4004 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9705 -20.9705 -20.9333 -20.9333 -19.7111 -19.7111 -5.1360 -5.1360 -4.4984 -4.4984 -4.3081 -4.3081 -3.7083 -3.7083 -3.4384 -3.4384 3.1231 3.1231 3.6097 3.6097 4.9975 4.9975 4.9995 4.9995 5.0579 5.0579 5.3518 5.3518 8.5568 8.5568 9.9230 9.9230 9.9789 9.9789 10.5524 10.5524 k = 0.5000-0.9209-0.5830 ( 3996 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9704 -20.9704 -20.9333 -20.9333 -19.7111 -19.7111 -5.1355 -5.1355 -4.4989 -4.4989 -4.3078 -4.3078 -3.7084 -3.7084 -3.4387 -3.4387 3.1240 3.1240 3.6100 3.6100 4.9814 4.9814 5.0146 5.0146 5.0574 5.0574 5.3486 5.3486 8.5601 8.5601 9.9224 9.9224 9.9782 9.9782 10.5557 10.5557 k = 0.5000-0.9082-0.6042 ( 3994 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9704 -20.9704 -20.9335 -20.9335 -19.7110 -19.7110 -5.1341 -5.1341 -4.5004 -4.5004 -4.3067 -4.3067 -3.7087 -3.7087 -3.4396 -3.4396 3.1267 3.1267 3.6110 3.6110 4.9638 4.9638 5.0288 5.0288 5.0563 5.0563 5.3394 5.3394 8.5701 8.5701 9.9204 9.9204 9.9760 9.9760 10.5656 10.5656 k = 0.5000-0.8954-0.6254 ( 4004 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9703 -20.9703 -20.9337 -20.9337 -19.7108 -19.7108 -5.1317 -5.1317 -4.5030 -4.5030 -4.3050 -4.3050 -3.7092 -3.7092 -3.4411 -3.4411 3.1312 3.1312 3.6126 3.6126 4.9458 4.9458 5.0375 5.0375 5.0578 5.0578 5.3247 5.3247 8.5865 8.5865 9.9172 9.9172 9.9725 9.9725 10.5818 10.5818 k = 0.5000-0.8826-0.6467 ( 4002 PWs) bands (ev): -42.5121 -42.5121 -21.4618 -21.4618 -20.9701 -20.9701 -20.9340 -20.9340 -19.7106 -19.7106 -5.1284 -5.1284 -4.5065 -4.5065 -4.3026 -4.3026 -3.7099 -3.7099 -3.4431 -3.4431 3.1375 3.1375 3.6148 3.6148 4.9276 4.9276 5.0351 5.0351 5.0665 5.0665 5.3057 5.3057 8.6088 8.6088 9.9130 9.9130 9.9676 9.9676 10.6041 10.6041 k = 0.5000-0.8698-0.6679 ( 4004 PWs) bands (ev): -42.5121 -42.5121 -21.4618 -21.4618 -20.9699 -20.9699 -20.9344 -20.9344 -19.7103 -19.7103 -5.1242 -5.1242 -4.5108 -4.5108 -4.2996 -4.2996 -3.7107 -3.7107 -3.4457 -3.4457 3.1456 3.1456 3.6177 3.6177 4.9093 4.9093 5.0249 5.0249 5.0780 5.0780 5.2838 5.2838 8.6363 8.6363 9.9080 9.9080 9.9615 9.9615 10.6317 10.6317 k = 0.5000-0.8570-0.6891 ( 4006 PWs) bands (ev): -42.5121 -42.5121 -21.4619 -21.4619 -20.9697 -20.9697 -20.9350 -20.9350 -19.7099 -19.7099 -5.1191 -5.1191 -4.5161 -4.5161 -4.2962 -4.2962 -3.7117 -3.7117 -3.4489 -3.4489 3.1555 3.1555 3.6211 3.6211 4.8911 4.8911 5.0086 5.0086 5.0891 5.0891 5.2610 5.2610 8.6684 8.6684 9.9023 9.9023 9.9542 9.9542 10.6640 10.6640 k = 0.5000-0.8443-0.7104 ( 4008 PWs) bands (ev): -42.5121 -42.5121 -21.4619 -21.4619 -20.9694 -20.9694 -20.9355 -20.9355 -19.7095 -19.7095 -5.1132 -5.1132 -4.5222 -4.5222 -4.2922 -4.2922 -3.7127 -3.7127 -3.4525 -3.4525 3.1671 3.1671 3.6250 3.6250 4.8731 4.8731 4.9855 4.9855 5.0993 5.0993 5.2395 5.2395 8.7043 8.7043 9.8961 9.8961 9.9458 9.9458 10.6995 10.6995 k = 0.5000-0.8315-0.7316 ( 4008 PWs) bands (ev): -42.5120 -42.5120 -21.4620 -21.4620 -20.9691 -20.9691 -20.9362 -20.9362 -19.7091 -19.7091 -5.1064 -5.1064 -4.5290 -4.5290 -4.2879 -4.2879 -3.7139 -3.7139 -3.4567 -3.4567 3.1804 3.1804 3.6294 3.6294 4.8553 4.8553 4.9548 4.9548 5.1081 5.1081 5.2209 5.2209 8.7432 8.7432 9.8899 9.8899 9.9364 9.9364 10.7358 10.7358 k = 0.5000-0.8187-0.7529 ( 4006 PWs) bands (ev): -42.5120 -42.5120 -21.4621 -21.4621 -20.9687 -20.9687 -20.9369 -20.9369 -19.7086 -19.7086 -5.0988 -5.0988 -4.5365 -4.5365 -4.2832 -4.2832 -3.7151 -3.7151 -3.4612 -3.4612 3.1953 3.1953 3.6341 3.6341 4.8376 4.8376 4.9167 4.9167 5.1154 5.1154 5.2060 5.2060 8.7843 8.7843 9.8837 9.8837 9.9263 9.9263 10.7688 10.7688 k = 0.5000-0.8059-0.7741 ( 4000 PWs) bands (ev): -42.5120 -42.5120 -21.4621 -21.4621 -20.9683 -20.9683 -20.9377 -20.9377 -19.7080 -19.7080 -5.0906 -5.0906 -4.5447 -4.5447 -4.2783 -4.2783 -3.7162 -3.7162 -3.4662 -3.4662 3.2120 3.2120 3.6393 3.6393 4.8192 4.8192 4.8732 4.8732 5.1212 5.1212 5.1949 5.1949 8.8267 8.8267 9.8777 9.8777 9.9156 9.9156 10.7929 10.7929 k = 0.5000-0.7932-0.7953 ( 3992 PWs) bands (ev): -42.5119 -42.5119 -21.4622 -21.4622 -20.9679 -20.9679 -20.9385 -20.9385 -19.7074 -19.7074 -5.0816 -5.0816 -4.5534 -4.5534 -4.2732 -4.2732 -3.7173 -3.7173 -3.4715 -3.4715 3.2302 3.2302 3.6447 3.6447 4.7946 4.7946 4.8309 4.8309 5.1254 5.1254 5.1867 5.1867 8.8696 8.8696 9.8721 9.8721 9.9046 9.9046 10.8034 10.8034 k = 0.5000-0.7804-0.8166 ( 3990 PWs) bands (ev): -42.5119 -42.5119 -21.4623 -21.4623 -20.9674 -20.9674 -20.9394 -20.9394 -19.7068 -19.7068 -5.0721 -5.0721 -4.5626 -4.5626 -4.2679 -4.2679 -3.7184 -3.7184 -3.4772 -3.4772 3.2499 3.2499 3.6503 3.6503 4.7508 4.7508 4.8045 4.8045 5.1281 5.1281 5.1807 5.1807 8.9124 8.9124 9.8668 9.8668 9.8936 9.8936 10.8008 10.8008 k = 0.5000-0.7676-0.8378 ( 3994 PWs) bands (ev): -42.5119 -42.5119 -21.4624 -21.4624 -20.9669 -20.9669 -20.9404 -20.9404 -19.7061 -19.7061 -5.0621 -5.0621 -4.5723 -4.5723 -4.2625 -4.2625 -3.7193 -3.7193 -3.4831 -3.4831 3.2712 3.2712 3.6560 3.6560 4.6945 4.6945 4.7886 4.7886 5.1294 5.1294 5.1760 5.1760 8.9543 8.9543 9.8616 9.8616 9.8832 9.8832 10.7900 10.7900 k = 0.5000-0.7548-0.8591 ( 3998 PWs) bands (ev): -42.5118 -42.5118 -21.4625 -21.4625 -20.9663 -20.9663 -20.9414 -20.9414 -19.7055 -19.7055 -5.0516 -5.0516 -4.5823 -4.5823 -4.2572 -4.2572 -3.7201 -3.7201 -3.4892 -3.4892 3.2939 3.2939 3.6617 3.6617 4.6340 4.6340 4.7763 4.7763 5.1295 5.1295 5.1721 5.1721 8.9948 8.9948 9.8558 9.8558 9.8743 9.8743 10.7753 10.7753 k = 0.5000-0.7421-0.8803 ( 3994 PWs) bands (ev): -42.5118 -42.5118 -21.4626 -21.4626 -20.9658 -20.9658 -20.9424 -20.9424 -19.7048 -19.7048 -5.0408 -5.0408 -4.5925 -4.5925 -4.2518 -4.2518 -3.7206 -3.7206 -3.4956 -3.4956 3.3180 3.3180 3.6673 3.6673 4.5715 4.5715 4.7661 4.7661 5.1284 5.1284 5.1684 5.1684 9.0331 9.0331 9.8486 9.8486 9.8681 9.8681 10.7600 10.7600 k = 0.5000-0.7293-0.9015 ( 3990 PWs) bands (ev): -42.5117 -42.5117 -21.4627 -21.4627 -20.9651 -20.9651 -20.9435 -20.9435 -19.7042 -19.7042 -5.0298 -5.0298 -4.6029 -4.6029 -4.2466 -4.2466 -3.7210 -3.7210 -3.5020 -3.5020 3.3434 3.3434 3.6728 3.6728 4.5082 4.5082 4.7578 4.7578 5.1264 5.1264 5.1646 5.1646 9.0690 9.0690 9.8402 9.8402 9.8644 9.8644 10.7458 10.7458 k = 0.5000-0.7165-0.9228 ( 3992 PWs) bands (ev): -42.5117 -42.5117 -21.4629 -21.4629 -20.9645 -20.9645 -20.9445 -20.9445 -19.7035 -19.7035 -5.0187 -5.0187 -4.6133 -4.6133 -4.2415 -4.2415 -3.7212 -3.7212 -3.5085 -3.5085 3.3700 3.3700 3.6780 3.6780 4.4449 4.4449 4.7514 4.7514 5.1233 5.1233 5.1607 5.1607 9.1018 9.1018 9.8316 9.8316 9.8624 9.8624 10.7339 10.7339 k = 0.5000-0.7037-0.9440 ( 3990 PWs) bands (ev): -42.5117 -42.5117 -21.4630 -21.4630 -20.9639 -20.9639 -20.9456 -20.9456 -19.7029 -19.7029 -5.0078 -5.0078 -4.6235 -4.6235 -4.2366 -4.2366 -3.7212 -3.7212 -3.5149 -3.5149 3.3977 3.3977 3.6829 3.6829 4.3822 4.3822 4.7470 4.7470 5.1192 5.1192 5.1565 5.1565 9.1314 9.1314 9.8236 9.8236 9.8612 9.8612 10.7252 10.7252 k = 0.5000-0.6909-0.9653 ( 3986 PWs) bands (ev): -42.5116 -42.5116 -21.4631 -21.4631 -20.9632 -20.9632 -20.9467 -20.9467 -19.7023 -19.7023 -4.9970 -4.9970 -4.6334 -4.6334 -4.2320 -4.2320 -3.7211 -3.7211 -3.5212 -3.5212 3.4264 3.4264 3.6873 3.6873 4.3206 4.3206 4.7446 4.7446 5.1143 5.1143 5.1520 5.1520 9.1573 9.1573 9.8168 9.8168 9.8603 9.8603 10.7200 10.7200 k = 0.5000-0.6782-0.9865 ( 3984 PWs) bands (ev): -42.5116 -42.5116 -21.4632 -21.4632 -20.9625 -20.9625 -20.9478 -20.9478 -19.7017 -19.7017 -4.9867 -4.9867 -4.6428 -4.6428 -4.2278 -4.2278 -3.7208 -3.7208 -3.5273 -3.5273 3.4559 3.4559 3.6913 3.6913 4.2606 4.2606 4.7442 4.7442 5.1087 5.1087 5.1471 5.1471 9.1795 9.1795 9.8113 9.8113 9.8594 9.8594 10.7190 10.7190 k = 0.5000-0.6654-1.0077 ( 3974 PWs) bands (ev): -42.5116 -42.5116 -21.4633 -21.4633 -20.9618 -20.9618 -20.9488 -20.9488 -19.7011 -19.7011 -4.9771 -4.9771 -4.6514 -4.6514 -4.2239 -4.2239 -3.7204 -3.7204 -3.5330 -3.5330 3.4862 3.4862 3.6947 3.6947 4.2027 4.2027 4.7458 4.7458 5.1026 5.1026 5.1418 5.1418 9.1979 9.1979 9.8073 9.8073 9.8580 9.8580 10.7224 10.7224 k = 0.5000-0.6526-1.0290 ( 3974 PWs) bands (ev): -42.5115 -42.5115 -21.4633 -21.4633 -20.9610 -20.9610 -20.9499 -20.9499 -19.7006 -19.7006 -4.9683 -4.9683 -4.6592 -4.6592 -4.2205 -4.2205 -3.7200 -3.7200 -3.5382 -3.5382 3.5168 3.5168 3.6975 3.6975 4.1473 4.1473 4.7494 4.7494 5.0962 5.0962 5.1361 5.1361 9.2126 9.2126 9.8050 9.8050 9.8559 9.8559 10.7303 10.7303 k = 0.5000-0.6398-1.0502 ( 3972 PWs) bands (ev): -42.5115 -42.5115 -21.4634 -21.4634 -20.9603 -20.9603 -20.9509 -20.9509 -19.7002 -19.7002 -4.9606 -4.9606 -4.6659 -4.6659 -4.2176 -4.2176 -3.7196 -3.7196 -3.5428 -3.5428 3.5476 3.5476 3.6997 3.6997 4.0949 4.0949 4.7548 4.7548 5.0899 5.0899 5.1300 5.1300 9.2235 9.2235 9.8042 9.8042 9.8528 9.8528 10.7429 10.7429 k = 0.5000-0.6271-1.0715 ( 3978 PWs) bands (ev): -42.5115 -42.5115 -21.4635 -21.4635 -20.9596 -20.9596 -20.9518 -20.9518 -19.6999 -19.6999 -4.9543 -4.9543 -4.6713 -4.6713 -4.2153 -4.2153 -3.7193 -3.7193 -3.5465 -3.5465 3.5780 3.5780 3.7012 3.7012 4.0461 4.0461 4.7619 4.7619 5.0841 5.0841 5.1233 5.1233 9.2311 9.2311 9.8049 9.8049 9.8486 9.8486 10.7602 10.7602 k = 0.5000-0.6143-1.0927 ( 3978 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9590 -20.9590 -20.9526 -20.9526 -19.6996 -19.6996 -4.9493 -4.9493 -4.6753 -4.6753 -4.2136 -4.2136 -3.7193 -3.7193 -3.5493 -3.5493 3.6072 3.6072 3.7020 3.7020 4.0019 4.0019 4.7705 4.7705 5.0791 5.0791 5.1162 5.1162 9.2355 9.2355 9.8067 9.8067 9.8433 9.8433 10.7819 10.7819 k = 0.5000-0.6015-1.1139 ( 3988 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9585 -20.9585 -20.9533 -20.9533 -19.6994 -19.6994 -4.9460 -4.9460 -4.6779 -4.6779 -4.2126 -4.2126 -3.7194 -3.7194 -3.5511 -3.5511 3.6340 3.6340 3.7022 3.7022 3.9636 3.9636 4.7805 4.7805 5.0753 5.0753 5.1086 5.1086 9.2371 9.2371 9.8089 9.8089 9.8374 9.8374 10.8078 10.8078 k = 0.5000-0.5887-1.1352 ( 3984 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9581 -20.9581 -20.9537 -20.9537 -19.6993 -19.6993 -4.9442 -4.9442 -4.6791 -4.6791 -4.2122 -4.2122 -3.7199 -3.7199 -3.5517 -3.5517 3.6564 3.6564 3.7019 3.7019 3.9332 3.9332 4.7914 4.7914 5.0728 5.0728 5.1011 5.1011 9.2364 9.2364 9.8095 9.8095 9.8327 9.8327 10.8375 10.8375 k = 0.5000-0.5759-1.1564 ( 3984 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9581 -20.9581 -20.9538 -20.9538 -19.6992 -19.6992 -4.9439 -4.9439 -4.6792 -4.6792 -4.2124 -4.2124 -3.7205 -3.7205 -3.5510 -3.5510 3.6714 3.6714 3.7011 3.7011 3.9137 3.9137 4.8029 4.8029 5.0711 5.0711 5.0946 5.0946 9.2335 9.2335 9.8050 9.8050 9.8325 9.8325 10.8704 10.8704 k = 0.5000-0.5632-1.1777 ( 3992 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9583 -20.9583 -20.9535 -20.9535 -19.6993 -19.6993 -4.9448 -4.9448 -4.6784 -4.6784 -4.2133 -4.2133 -3.7213 -3.7213 -3.5492 -3.5492 3.6763 3.6763 3.6996 3.6996 3.9078 3.9078 4.8147 4.8147 5.0678 5.0678 5.0920 5.0920 9.2289 9.2289 9.7953 9.7953 9.8367 9.8367 10.9061 10.9061 k = 0.5000-0.5504-1.1989 ( 3992 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9588 -20.9588 -20.9530 -20.9530 -19.6995 -19.6995 -4.9469 -4.9469 -4.6770 -4.6770 -4.2147 -4.2147 -3.7221 -3.7221 -3.5462 -3.5462 3.6714 3.6714 3.6971 3.6971 3.9160 3.9160 4.8266 4.8266 5.0607 5.0607 5.0961 5.0961 9.2229 9.2229 9.7825 9.7825 9.8432 9.8432 10.9437 10.9437 k = 0.8190-0.4703-1.0480 ( 3992 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9588 -20.9588 -20.9530 -20.9530 -19.6995 -19.6995 -4.9469 -4.9469 -4.6770 -4.6770 -4.2147 -4.2147 -3.7221 -3.7221 -3.5462 -3.5462 3.6714 3.6714 3.6971 3.6971 3.9160 3.9160 4.8266 4.8266 5.0607 5.0607 5.0961 5.0961 9.2229 9.2229 9.7825 9.7825 9.8432 9.8432 10.9437 10.9437 k = 0.8130-0.4591-1.0268 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4635 -21.4635 -20.9592 -20.9592 -20.9523 -20.9523 -19.6999 -19.6999 -4.9498 -4.9498 -4.6755 -4.6755 -4.2166 -4.2166 -3.7228 -3.7228 -3.5420 -3.5420 3.6593 3.6593 3.6940 3.6940 3.9351 3.9351 4.8382 4.8382 5.0510 5.0510 5.1060 5.1060 9.2158 9.2158 9.7677 9.7677 9.8509 9.8509 10.9824 10.9824 k = 0.8070-0.4479-1.0056 ( 3988 PWs) bands (ev): -42.5115 -42.5115 -21.4634 -21.4634 -20.9598 -20.9598 -20.9515 -20.9515 -19.7003 -19.7003 -4.9532 -4.9532 -4.6744 -4.6744 -4.2188 -4.2188 -3.7233 -3.7233 -3.5369 -3.5369 3.6434 3.6434 3.6907 3.6907 3.9614 3.9614 4.8496 4.8496 5.0398 5.0398 5.1207 5.1207 9.2079 9.2079 9.7514 9.7514 9.8592 9.8592 11.0210 11.0210 k = 0.8010-0.4366-0.9844 ( 3986 PWs) bands (ev): -42.5116 -42.5116 -21.4633 -21.4633 -20.9602 -20.9602 -20.9507 -20.9507 -19.7009 -19.7009 -4.9569 -4.9569 -4.6740 -4.6740 -4.2212 -4.2212 -3.7235 -3.7235 -3.5309 -3.5309 3.6265 3.6265 3.6871 3.6871 3.9920 3.9920 4.8608 4.8608 5.0278 5.0278 5.1396 5.1396 9.1993 9.1993 9.7336 9.7336 9.8679 9.8679 11.0341 11.0341 k = 0.7950-0.4254-0.9632 ( 3988 PWs) bands (ev): -42.5116 -42.5116 -21.4631 -21.4631 -20.9607 -20.9607 -20.9498 -20.9498 -19.7016 -19.7016 -4.9608 -4.9608 -4.6747 -4.6747 -4.2236 -4.2236 -3.7232 -3.7232 -3.5241 -3.5241 3.6103 3.6103 3.6834 3.6834 4.0252 4.0252 4.8721 4.8721 5.0152 5.0152 5.1623 5.1623 9.1902 9.1902 9.7145 9.7145 9.8769 9.8769 11.0215 11.0215 k = 0.7889-0.4141-0.9420 ( 3988 PWs) bands (ev): -42.5116 -42.5116 -21.4629 -21.4629 -20.9610 -20.9610 -20.9489 -20.9489 -19.7024 -19.7024 -4.9646 -4.9646 -4.6770 -4.6770 -4.2258 -4.2258 -3.7223 -3.7223 -3.5167 -3.5167 3.5958 3.5958 3.6797 3.6797 4.0599 4.0599 4.8838 4.8838 5.0022 5.0022 5.1885 5.1885 9.1810 9.1810 9.6943 9.6943 9.8860 9.8860 11.0085 11.0085 k = 0.7829-0.4029-0.9208 ( 3988 PWs) bands (ev): -42.5117 -42.5117 -21.4627 -21.4627 -20.9613 -20.9613 -20.9480 -20.9480 -19.7034 -19.7034 -4.9681 -4.9681 -4.6811 -4.6811 -4.2276 -4.2276 -3.7207 -3.7207 -3.5087 -3.5087 3.5835 3.5835 3.6760 3.6760 4.0955 4.0955 4.8963 4.8963 4.9890 4.9890 5.2176 5.2176 9.1716 9.1716 9.6729 9.6729 9.8951 9.8951 10.9957 10.9957 k = 0.7769-0.3917-0.8996 ( 3986 PWs) bands (ev): -42.5118 -42.5118 -21.4624 -21.4624 -20.9615 -20.9615 -20.9471 -20.9471 -19.7045 -19.7045 -4.9714 -4.9714 -4.6873 -4.6873 -4.2288 -4.2288 -3.7185 -3.7185 -3.5002 -3.5002 3.5738 3.5738 3.6724 3.6724 4.1316 4.1316 4.9097 4.9097 4.9757 4.9757 5.2493 5.2493 9.1624 9.1624 9.6506 9.6506 9.9040 9.9040 10.9829 10.9829 k = 0.7709-0.3804-0.8784 ( 3978 PWs) bands (ev): -42.5118 -42.5118 -21.4621 -21.4621 -20.9617 -20.9617 -20.9462 -20.9462 -19.7058 -19.7058 -4.9742 -4.9742 -4.6957 -4.6957 -4.2293 -4.2293 -3.7154 -3.7154 -3.4915 -3.4915 3.5668 3.5668 3.6691 3.6691 4.1678 4.1678 4.9244 4.9244 4.9626 4.9626 5.2832 5.2832 9.1534 9.1534 9.6274 9.6274 9.9126 9.9126 10.9701 10.9701 k = 0.7649-0.3692-0.8572 ( 3980 PWs) bands (ev): -42.5119 -42.5119 -21.4618 -21.4618 -20.9618 -20.9618 -20.9453 -20.9453 -19.7072 -19.7072 -4.9767 -4.9767 -4.7063 -4.7063 -4.2291 -4.2291 -3.7116 -3.7116 -3.4825 -3.4825 3.5624 3.5624 3.6662 3.6662 4.2039 4.2039 4.9388 4.9388 4.9514 4.9514 5.3190 5.3190 9.1447 9.1447 9.6033 9.6033 9.9209 9.9209 10.9574 10.9574 k = 0.7588-0.3579-0.8360 ( 3984 PWs) bands (ev): -42.5120 -42.5120 -21.4614 -21.4614 -20.9618 -20.9618 -20.9444 -20.9444 -19.7087 -19.7087 -4.9788 -4.9788 -4.7190 -4.7190 -4.2281 -4.2281 -3.7070 -3.7070 -3.4733 -3.4733 3.5608 3.5608 3.6638 3.6638 4.2399 4.2399 4.9346 4.9346 4.9609 4.9609 5.3563 5.3563 9.1365 9.1365 9.5785 9.5785 9.9288 9.9288 10.9446 10.9446 k = 0.7528-0.3467-0.8148 ( 3988 PWs) bands (ev): -42.5121 -42.5121 -21.4610 -21.4610 -20.9618 -20.9618 -20.9435 -20.9435 -19.7104 -19.7104 -4.9807 -4.9807 -4.7335 -4.7335 -4.2263 -4.2263 -3.7016 -3.7016 -3.4640 -3.4640 3.5617 3.5617 3.6620 3.6620 4.2755 4.2755 4.9226 4.9226 4.9805 4.9805 5.3948 5.3948 9.1289 9.1289 9.5530 9.5530 9.9361 9.9361 10.9318 10.9318 k = 0.7468-0.3354-0.7936 ( 3982 PWs) bands (ev): -42.5122 -42.5122 -21.4605 -21.4605 -20.9616 -20.9616 -20.9425 -20.9425 -19.7122 -19.7122 -4.9825 -4.9825 -4.7496 -4.7496 -4.2239 -4.2239 -3.6955 -3.6955 -3.4547 -3.4547 3.5651 3.5651 3.6610 3.6610 4.3108 4.3108 4.9108 4.9108 5.0024 5.0024 5.4343 5.4343 9.1219 9.1219 9.5270 9.5270 9.9429 9.9429 10.9190 10.9190 k = 0.7408-0.3242-0.7724 ( 3978 PWs) bands (ev): -42.5123 -42.5123 -21.4600 -21.4600 -20.9614 -20.9614 -20.9416 -20.9416 -19.7141 -19.7141 -4.9845 -4.9845 -4.7668 -4.7668 -4.2208 -4.2208 -3.6887 -3.6887 -3.4455 -3.4455 3.5709 3.5709 3.6610 3.6610 4.3457 4.3457 4.8995 4.8995 5.0265 5.0265 5.4744 5.4744 9.1156 9.1156 9.5005 9.5005 9.9491 9.9491 10.9063 10.9063 k = 0.7348-0.3130-0.7512 ( 3970 PWs) bands (ev): -42.5124 -42.5124 -21.4595 -21.4595 -20.9611 -20.9611 -20.9406 -20.9406 -19.7162 -19.7162 -4.9872 -4.9872 -4.7843 -4.7843 -4.2173 -4.2173 -3.6811 -3.6811 -3.4363 -3.4363 3.5788 3.5788 3.6619 3.6619 4.3801 4.3801 4.8890 4.8890 5.0526 5.0526 5.5148 5.5148 9.1102 9.1102 9.4738 9.4738 9.9546 9.9546 10.8935 10.8935 k = 0.7287-0.3017-0.7300 ( 3972 PWs) bands (ev): -42.5126 -42.5126 -21.4589 -21.4589 -20.9608 -20.9608 -20.9396 -20.9396 -19.7184 -19.7184 -4.9914 -4.9914 -4.8012 -4.8012 -4.2134 -4.2134 -3.6730 -3.6730 -3.4273 -3.4273 3.5885 3.5885 3.6639 3.6639 4.4142 4.4142 4.8795 4.8795 5.0808 5.0808 5.5554 5.5554 9.1056 9.1056 9.4470 9.4470 9.9595 9.9595 10.8808 10.8808 k = 0.7227-0.2905-0.7088 ( 3978 PWs) bands (ev): -42.5127 -42.5127 -21.4583 -21.4583 -20.9604 -20.9604 -20.9387 -20.9387 -19.7207 -19.7207 -4.9978 -4.9978 -4.8165 -4.8165 -4.2092 -4.2092 -3.6642 -3.6642 -3.4185 -3.4185 3.5998 3.5998 3.6672 3.6672 4.4481 4.4481 4.8709 4.8709 5.1110 5.1110 5.5957 5.5957 9.1019 9.1019 9.4201 9.4201 9.9636 9.9636 10.8682 10.8682 k = 0.7167-0.2792-0.6876 ( 3984 PWs) bands (ev): -42.5128 -42.5128 -21.4577 -21.4577 -20.9600 -20.9600 -20.9377 -20.9377 -19.7232 -19.7232 -5.0074 -5.0074 -4.8289 -4.8289 -4.2049 -4.2049 -3.6549 -3.6549 -3.4099 -3.4099 3.6125 3.6125 3.6719 3.6719 4.4819 4.4819 4.8634 4.8634 5.1430 5.1430 5.6356 5.6356 9.0990 9.0990 9.3934 9.3934 9.9672 9.9672 10.8559 10.8559 k = 0.7107-0.2680-0.6664 ( 3988 PWs) bands (ev): -42.5130 -42.5130 -21.4570 -21.4570 -20.9595 -20.9595 -20.9367 -20.9367 -19.7257 -19.7257 -5.0210 -5.0210 -4.8377 -4.8377 -4.2006 -4.2006 -3.6451 -3.6451 -3.4016 -3.4016 3.6261 3.6261 3.6780 3.6780 4.5157 4.5157 4.8571 4.8571 5.1770 5.1770 5.6746 5.6746 9.0971 9.0971 9.3670 9.3670 9.9701 9.9701 10.8438 10.8438 k = 0.7047-0.2568-0.6452 ( 3988 PWs) bands (ev): -42.5131 -42.5131 -21.4564 -21.4564 -20.9590 -20.9590 -20.9357 -20.9357 -19.7284 -19.7284 -5.0388 -5.0388 -4.8423 -4.8423 -4.1963 -4.1963 -3.6348 -3.6348 -3.3935 -3.3935 3.6403 3.6403 3.6857 3.6857 4.5499 4.5499 4.8519 4.8519 5.2127 5.2127 5.7127 5.7127 9.0960 9.0960 9.3412 9.3412 9.9722 9.9722 10.8321 10.8321 k = 0.6987-0.2455-0.6240 ( 3988 PWs) bands (ev): -42.5133 -42.5133 -21.4556 -21.4556 -20.9585 -20.9585 -20.9346 -20.9346 -19.7311 -19.7311 -5.0604 -5.0604 -4.8430 -4.8430 -4.1921 -4.1921 -3.6242 -3.6242 -3.3857 -3.3857 3.6548 3.6548 3.6950 3.6950 4.5848 4.5848 4.8479 4.8479 5.2502 5.2502 5.7493 5.7493 9.0958 9.0958 9.3161 9.3161 9.9737 9.9737 10.8204 10.8204 k = 0.6926-0.2343-0.6028 ( 3986 PWs) bands (ev): -42.5135 -42.5135 -21.4549 -21.4549 -20.9579 -20.9579 -20.9336 -20.9336 -19.7339 -19.7339 -5.0851 -5.0851 -4.8403 -4.8403 -4.1881 -4.1881 -3.6131 -3.6131 -3.3783 -3.3783 3.6691 3.6691 3.7060 3.7060 4.6207 4.6207 4.8451 4.8451 5.2892 5.2892 5.7842 5.7842 9.0964 9.0964 9.2919 9.2919 9.9744 9.9744 10.8010 10.8010 k = 0.6866-0.2230-0.5816 ( 3982 PWs) bands (ev): -42.5136 -42.5136 -21.4541 -21.4541 -20.9572 -20.9572 -20.9325 -20.9325 -19.7368 -19.7368 -5.1122 -5.1122 -4.8350 -4.8350 -4.1843 -4.1843 -3.6017 -3.6017 -3.3712 -3.3712 3.6831 3.6831 3.7187 3.7187 4.6579 4.6579 4.8433 4.8433 5.3297 5.3297 5.8171 5.8171 9.0978 9.0978 9.2688 9.2688 9.9743 9.9743 10.7491 10.7491 k = 0.6806-0.2118-0.5604 ( 3986 PWs) bands (ev): -42.5138 -42.5138 -21.4534 -21.4534 -20.9566 -20.9566 -20.9314 -20.9314 -19.7398 -19.7398 -5.1410 -5.1410 -4.8275 -4.8275 -4.1806 -4.1806 -3.5900 -3.5900 -3.3645 -3.3645 3.6962 3.6962 3.7332 3.7332 4.6967 4.6967 4.8425 4.8425 5.3715 5.3715 5.8477 5.8477 9.0998 9.0998 9.2469 9.2469 9.9733 9.9733 10.6914 10.6914 k = 0.6746-0.2006-0.5392 ( 3990 PWs) bands (ev): -42.5140 -42.5140 -21.4526 -21.4526 -20.9560 -20.9560 -20.9303 -20.9303 -19.7428 -19.7428 -5.1710 -5.1710 -4.8184 -4.8184 -4.1772 -4.1772 -3.5780 -3.5780 -3.3581 -3.3581 3.7083 3.7083 3.7495 3.7495 4.7372 4.7372 4.8429 4.8429 5.4146 5.4146 5.8755 5.8755 9.1024 9.1024 9.2264 9.2264 9.9713 9.9713 10.6341 10.6341 k = 0.6686-0.1893-0.5180 ( 3990 PWs) bands (ev): -42.5141 -42.5141 -21.4518 -21.4518 -20.9553 -20.9553 -20.9291 -20.9291 -19.7459 -19.7459 -5.2017 -5.2017 -4.8080 -4.8080 -4.1741 -4.1741 -3.5659 -3.5659 -3.3521 -3.3521 3.7190 3.7190 3.7677 3.7677 4.7786 4.7786 4.8455 4.8455 5.4586 5.4586 5.9004 5.9004 9.1056 9.1056 9.2073 9.2073 9.9681 9.9681 10.5783 10.5783 k = 0.6625-0.1781-0.4968 ( 3990 PWs) bands (ev): -42.5143 -42.5143 -21.4510 -21.4510 -20.9547 -20.9547 -20.9279 -20.9279 -19.7490 -19.7490 -5.2328 -5.2328 -4.7965 -4.7965 -4.1712 -4.1712 -3.5536 -3.5536 -3.3465 -3.3465 3.7283 3.7283 3.7879 3.7879 4.8151 4.8151 4.8560 4.8560 5.5035 5.5035 5.9219 5.9219 9.1091 9.1091 9.1899 9.1899 9.9636 9.9636 10.5248 10.5248 k = 0.6565-0.1668-0.4756 ( 3990 PWs) bands (ev): -42.5145 -42.5145 -21.4502 -21.4502 -20.9540 -20.9540 -20.9267 -20.9267 -19.7521 -19.7521 -5.2641 -5.2641 -4.7842 -4.7842 -4.1685 -4.1685 -3.5411 -3.5411 -3.3412 -3.3412 3.7359 3.7359 3.8099 3.8099 4.8311 4.8311 4.8903 4.8903 5.5492 5.5492 5.9398 5.9398 9.1129 9.1129 9.1740 9.1740 9.9575 9.9575 10.4743 10.4743 k = 0.6505-0.1556-0.4544 ( 3984 PWs) bands (ev): -42.5147 -42.5147 -21.4494 -21.4494 -20.9534 -20.9534 -20.9255 -20.9255 -19.7552 -19.7552 -5.2954 -5.2954 -4.7713 -4.7713 -4.1661 -4.1661 -3.5285 -3.5285 -3.3363 -3.3363 3.7419 3.7419 3.8340 3.8340 4.8352 4.8352 4.9397 4.9397 5.5953 5.5953 5.9540 5.9540 9.1168 9.1168 9.1597 9.1597 9.9498 9.9498 10.4276 10.4276 k = 0.6445-0.1443-0.4333 ( 3980 PWs) bands (ev): -42.5149 -42.5149 -21.4485 -21.4485 -20.9527 -20.9527 -20.9242 -20.9242 -19.7584 -19.7584 -5.3264 -5.3264 -4.7579 -4.7579 -4.1639 -4.1639 -3.5159 -3.5159 -3.3317 -3.3317 3.7462 3.7462 3.8600 3.8600 4.8368 4.8368 4.9946 4.9946 5.6416 5.6416 5.9642 5.9642 9.1206 9.1206 9.1470 9.1470 9.9403 9.9403 10.3854 10.3854 k = 0.6385-0.1331-0.4121 ( 3986 PWs) bands (ev): -42.5151 -42.5151 -21.4477 -21.4477 -20.9522 -20.9522 -20.9229 -20.9229 -19.7615 -19.7615 -5.3570 -5.3570 -4.7442 -4.7442 -4.1620 -4.1620 -3.5032 -3.5032 -3.3274 -3.3274 3.7489 3.7489 3.8879 3.8879 4.8375 4.8375 5.0533 5.0533 5.6878 5.6878 5.9703 5.9703 9.1233 9.1233 9.1365 9.1365 9.9288 9.9288 10.3485 10.3485 k = 0.6324-0.1219-0.3909 ( 3984 PWs) bands (ev): -42.5152 -42.5152 -21.4469 -21.4469 -20.9516 -20.9516 -20.9216 -20.9216 -19.7646 -19.7646 -5.3871 -5.3871 -4.7304 -4.7304 -4.1602 -4.1602 -3.4905 -3.4905 -3.3235 -3.3235 3.7501 3.7501 3.9178 3.9178 4.8376 4.8376 5.1154 5.1154 5.7336 5.7336 5.9724 5.9724 9.1206 9.1206 9.1323 9.1323 9.9151 9.9151 10.3174 10.3174 k = 0.6264-0.1106-0.3697 ( 3986 PWs) bands (ev): -42.5154 -42.5154 -21.4462 -21.4462 -20.9510 -20.9510 -20.9203 -20.9203 -19.7676 -19.7676 -5.4166 -5.4166 -4.7165 -4.7165 -4.1586 -4.1586 -3.4779 -3.4779 -3.3199 -3.3199 3.7500 3.7500 3.9496 3.9496 4.8372 4.8372 5.1805 5.1805 5.7781 5.7781 5.9711 5.9711 9.1123 9.1123 9.1342 9.1342 9.8993 9.8993 10.2927 10.2927 k = 0.6204-0.0994-0.3485 ( 3988 PWs) bands (ev): -42.5156 -42.5156 -21.4454 -21.4454 -20.9505 -20.9505 -20.9190 -20.9190 -19.7707 -19.7707 -5.4453 -5.4453 -4.7026 -4.7026 -4.1572 -4.1572 -3.4653 -3.4653 -3.3166 -3.3166 3.7487 3.7487 3.9832 3.9832 4.8364 4.8364 5.2482 5.2482 5.8200 5.8200 5.9675 5.9675 9.1034 9.1034 9.1369 9.1369 9.8813 9.8813 10.2751 10.2751 k = 0.6144-0.0881-0.3273 ( 3982 PWs) bands (ev): -42.5158 -42.5158 -21.4447 -21.4447 -20.9500 -20.9500 -20.9177 -20.9177 -19.7736 -19.7736 -5.4731 -5.4731 -4.6889 -4.6889 -4.1559 -4.1559 -3.4529 -3.4529 -3.3136 -3.3136 3.7463 3.7463 4.0187 4.0187 4.8351 4.8351 5.3183 5.3183 5.8553 5.8553 5.9653 5.9653 9.0946 9.0946 9.1391 9.1391 9.8611 9.8611 10.2647 10.2647 k = 0.6084-0.0769-0.3061 ( 3978 PWs) bands (ev): -42.5159 -42.5159 -21.4439 -21.4439 -20.9495 -20.9495 -20.9164 -20.9164 -19.7765 -19.7765 -5.5000 -5.5000 -4.6754 -4.6754 -4.1548 -4.1548 -3.4406 -3.4406 -3.3108 -3.3108 3.7431 3.7431 4.0559 4.0559 4.8334 4.8334 5.3904 5.3904 5.8750 5.8750 5.9735 5.9735 9.0858 9.0858 9.1408 9.1408 9.8387 9.8387 10.2619 10.2619 k = 0.6023-0.0657-0.2849 ( 3974 PWs) bands (ev): -42.5161 -42.5161 -21.4432 -21.4432 -20.9491 -20.9491 -20.9151 -20.9151 -19.7793 -19.7793 -5.5258 -5.5258 -4.6623 -4.6623 -4.1538 -4.1538 -3.4285 -3.4285 -3.3083 -3.3083 3.7393 3.7393 4.0949 4.0949 4.8313 4.8313 5.4641 5.4641 5.8724 5.8724 5.9987 5.9987 9.0771 9.0771 9.1416 9.1416 9.8143 9.8143 10.2667 10.2667 k = 0.5963-0.0544-0.2637 ( 3970 PWs) bands (ev): -42.5163 -42.5163 -21.4425 -21.4425 -20.9487 -20.9487 -20.9138 -20.9138 -19.7820 -19.7820 -5.5506 -5.5506 -4.6496 -4.6496 -4.1529 -4.1529 -3.4166 -3.4166 -3.3060 -3.3060 3.7348 3.7348 4.1355 4.1355 4.8289 4.8289 5.5389 5.5389 5.8547 5.8547 6.0338 6.0338 9.0683 9.0683 9.1414 9.1414 9.7882 9.7882 10.2787 10.2787 k = 0.5903-0.0432-0.2425 ( 3976 PWs) bands (ev): -42.5164 -42.5164 -21.4419 -21.4419 -20.9483 -20.9483 -20.9126 -20.9126 -19.7846 -19.7846 -5.5742 -5.5742 -4.6374 -4.6374 -4.1521 -4.1521 -3.4051 -3.4051 -3.3040 -3.3040 3.7300 3.7300 4.1777 4.1777 4.8262 4.8262 5.6142 5.6142 5.8290 5.8290 6.0719 6.0719 9.0596 9.0596 9.1400 9.1400 9.7605 9.7605 10.2974 10.2974 k = 0.5843-0.0319-0.2213 ( 3974 PWs) bands (ev): -42.5166 -42.5166 -21.4413 -21.4413 -20.9480 -20.9480 -20.9114 -20.9114 -19.7871 -19.7871 -5.5965 -5.5965 -4.6258 -4.6258 -4.1514 -4.1514 -3.3939 -3.3939 -3.3021 -3.3021 3.7249 3.7249 4.2213 4.2213 4.8233 4.8233 5.6888 5.6888 5.7988 5.7988 6.1103 6.1103 9.0510 9.0510 9.1374 9.1374 9.7316 9.7316 10.3217 10.3217 k = 0.5783-0.0207-0.2001 ( 3972 PWs) bands (ev): -42.5167 -42.5167 -21.4407 -21.4407 -20.9477 -20.9477 -20.9102 -20.9102 -19.7894 -19.7894 -5.6175 -5.6175 -4.6148 -4.6148 -4.1507 -4.1507 -3.3831 -3.3831 -3.3005 -3.3005 3.7197 3.7197 4.2662 4.2662 4.8202 4.8202 5.7453 5.7453 5.7823 5.7823 6.1478 6.1478 9.0428 9.0428 9.1332 9.1332 9.7020 9.7020 10.3502 10.3502 k = 0.5722-0.0094-0.1789 ( 3972 PWs) bands (ev): -42.5168 -42.5168 -21.4402 -21.4402 -20.9474 -20.9474 -20.9091 -20.9091 -19.7917 -19.7917 -5.6372 -5.6372 -4.6045 -4.6045 -4.1501 -4.1501 -3.3727 -3.3727 -3.2990 -3.2990 3.7144 3.7144 4.3123 4.3123 4.8171 4.8171 5.7181 5.7181 5.8452 5.8452 6.1838 6.1838 9.0351 9.0351 9.1275 9.1275 9.6722 9.6722 10.3804 10.3804 k = 0.5662 0.0018-0.1577 ( 3970 PWs) bands (ev): -42.5169 -42.5169 -21.4396 -21.4396 -20.9471 -20.9471 -20.9080 -20.9080 -19.7937 -19.7937 -5.6555 -5.6555 -4.5949 -4.5949 -4.1496 -4.1496 -3.3630 -3.3630 -3.2977 -3.2977 3.7092 3.7092 4.3595 4.3595 4.8139 4.8139 5.6772 5.6772 5.9173 5.9173 6.2180 6.2180 9.0281 9.0281 9.1200 9.1200 9.6427 9.6427 10.4087 10.4087 k = 0.5602 0.0130-0.1365 ( 3972 PWs) bands (ev): -42.5171 -42.5171 -21.4392 -21.4392 -20.9469 -20.9469 -20.9070 -20.9070 -19.7957 -19.7957 -5.6723 -5.6723 -4.5860 -4.5860 -4.1491 -4.1491 -3.3538 -3.3538 -3.2965 -3.2965 3.7042 3.7042 4.4074 4.4074 4.8107 4.8107 5.6333 5.6333 5.9880 5.9880 6.2501 6.2501 9.0219 9.0219 9.1108 9.1108 9.6141 9.6141 10.4298 10.4298 k = 0.5542 0.0243-0.1153 ( 3978 PWs) bands (ev): -42.5172 -42.5172 -21.4388 -21.4388 -20.9467 -20.9467 -20.9061 -20.9061 -19.7975 -19.7975 -5.6877 -5.6877 -4.5779 -4.5779 -4.1486 -4.1486 -3.3452 -3.3452 -3.2954 -3.2954 3.6995 3.6995 4.4559 4.4559 4.8077 4.8077 5.5874 5.5874 6.0558 6.0558 6.2799 6.2799 9.0166 9.0166 9.0998 9.0998 9.5871 9.5871 10.4386 10.4386 k = 0.5482 0.0355-0.0941 ( 3974 PWs) bands (ev): -42.5173 -42.5173 -21.4384 -21.4384 -20.9465 -20.9465 -20.9053 -20.9053 -19.7991 -19.7991 -5.7015 -5.7015 -4.5707 -4.5707 -4.1482 -4.1482 -3.3374 -3.3374 -3.2945 -3.2945 3.6950 3.6950 4.5046 4.5046 4.8049 4.8049 5.5402 5.5402 6.1197 6.1197 6.3073 6.3073 9.0123 9.0123 9.0872 9.0872 9.5623 9.5623 10.4332 10.4332 k = 0.5421 0.0468-0.0729 ( 3982 PWs) bands (ev): -42.5173 -42.5173 -21.4380 -21.4380 -20.9463 -20.9463 -20.9045 -20.9045 -19.8005 -19.8005 -5.7138 -5.7138 -4.5643 -4.5643 -4.1479 -4.1479 -3.3304 -3.3304 -3.2937 -3.2937 3.6910 3.6910 4.5531 4.5531 4.8024 4.8024 5.4925 5.4925 6.1788 6.1788 6.3323 6.3323 9.0090 9.0090 9.0734 9.0734 9.5399 9.5399 10.4169 10.4169 k = 0.5361 0.0580-0.0517 ( 3986 PWs) bands (ev): -42.5174 -42.5174 -21.4378 -21.4378 -20.9462 -20.9462 -20.9039 -20.9039 -19.8018 -19.8018 -5.7245 -5.7245 -4.5587 -4.5587 -4.1476 -4.1476 -3.3243 -3.3243 -3.2929 -3.2929 3.6873 3.6873 4.6008 4.6008 4.8002 4.8002 5.4449 5.4449 6.2318 6.2318 6.3550 6.3550 9.0065 9.0065 9.0590 9.0590 9.5205 9.5205 10.3948 10.3948 k = 0.5301 0.0692-0.0305 ( 3988 PWs) bands (ev): -42.5175 -42.5175 -21.4375 -21.4375 -20.9461 -20.9461 -20.9033 -20.9033 -19.8028 -19.8028 -5.7336 -5.7336 -4.5539 -4.5539 -4.1473 -4.1473 -3.3190 -3.3190 -3.2923 -3.2923 3.6842 3.6842 4.6466 4.6466 4.7985 4.7985 5.3986 5.3986 6.2775 6.2775 6.3755 6.3755 9.0048 9.0048 9.0446 9.0446 9.5042 9.5042 10.3714 10.3714 k = 0.5241 0.0805-0.0093 ( 3984 PWs) bands (ev): -42.5175 -42.5175 -21.4373 -21.4373 -20.9460 -20.9460 -20.9028 -20.9028 -19.8037 -19.8037 -5.7411 -5.7411 -4.5500 -4.5500 -4.1471 -4.1471 -3.3146 -3.3146 -3.2917 -3.2917 3.6816 3.6816 4.6893 4.6893 4.7976 4.7976 5.3548 5.3548 6.3148 6.3148 6.3942 6.3942 9.0037 9.0037 9.0311 9.0311 9.4909 9.4909 10.3495 10.3495 k = 0.5181 0.0917 0.0119 ( 3990 PWs) bands (ev): -42.5176 -42.5176 -21.4371 -21.4371 -20.9459 -20.9459 -20.9025 -20.9025 -19.8044 -19.8044 -5.7469 -5.7469 -4.5470 -4.5470 -4.1469 -4.1469 -3.3113 -3.3113 -3.2912 -3.2912 3.6795 3.6795 4.7264 4.7264 4.7981 4.7981 5.3156 5.3156 6.3426 6.3426 6.4109 6.4109 9.0031 9.0031 9.0194 9.0194 9.4808 9.4808 10.3310 10.3310 k = 0.5120 0.1030 0.0331 ( 3990 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9022 -20.9022 -19.8049 -19.8049 -5.7511 -5.7511 -4.5449 -4.5449 -4.1468 -4.1468 -3.3089 -3.3089 -3.2909 -3.2909 3.6780 3.6780 4.7542 4.7542 4.8010 4.8010 5.2835 5.2835 6.3612 6.3612 6.4248 6.4248 9.0028 9.0028 9.0104 9.0104 9.4737 9.4737 10.3172 10.3172 k = 0.5060 0.1142 0.0543 ( 3992 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8052 -19.8052 -5.7536 -5.7536 -4.5436 -4.5436 -4.1467 -4.1467 -3.3074 -3.3074 -3.2906 -3.2906 3.6771 3.6771 4.7690 4.7690 4.8068 4.8068 5.2621 5.2621 6.3715 6.3715 6.4342 6.4342 9.0025 9.0025 9.0048 9.0048 9.4694 9.4694 10.3086 10.3086 k = 0.5000 0.1254 0.0755 ( 3986 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7544 -5.7544 -4.5431 -4.5431 -4.1467 -4.1467 -3.3070 -3.3070 -3.2905 -3.2905 3.6768 3.6768 4.7729 4.7729 4.8103 4.8103 5.2544 5.2544 6.3748 6.3748 6.4375 6.4375 9.0020 9.0020 9.0032 9.0032 9.4680 9.4680 10.3057 10.3057 k = 0.5000 0.1254 0.0755 ( 3986 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7544 -5.7544 -4.5431 -4.5431 -4.1467 -4.1467 -3.3070 -3.3070 -3.2905 -3.2905 3.6768 3.6768 4.7729 4.7729 4.8103 4.8103 5.2544 5.2544 6.3748 6.3748 6.4375 6.4375 9.0020 9.0020 9.0032 9.0032 9.4680 9.4680 10.3057 10.3057 k = 0.4762 0.1195 0.0719 ( 3992 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7534 -5.7534 -4.5472 -4.5472 -4.1448 -4.1448 -3.3070 -3.3070 -3.2890 -3.2890 3.6726 3.6726 4.7727 4.7727 4.8101 4.8101 5.2602 5.2602 6.3753 6.3753 6.4380 6.4380 9.0019 9.0019 9.0031 9.0031 9.4665 9.4665 10.3050 10.3050 k = 0.4524 0.1135 0.0683 ( 3986 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7504 -5.7504 -4.5591 -4.5591 -4.1395 -4.1395 -3.3070 -3.3070 -3.2842 -3.2842 3.6603 3.6603 4.7721 4.7721 4.8095 4.8095 5.2774 5.2774 6.3768 6.3768 6.4395 6.4395 9.0016 9.0016 9.0029 9.0029 9.4619 9.4619 10.3029 10.3029 k = 0.4286 0.1075 0.0647 ( 3992 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7454 -5.7454 -4.5779 -4.5779 -4.1314 -4.1314 -3.3070 -3.3070 -3.2765 -3.2765 3.6405 3.6405 4.7711 4.7711 4.8085 4.8085 5.3051 5.3051 6.3792 6.3792 6.4420 6.4420 9.0011 9.0011 9.0023 9.0023 9.4543 9.4543 10.2992 10.2992 k = 0.4048 0.1016 0.0611 ( 4004 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8053 -19.8053 -5.7385 -5.7385 -4.6027 -4.6027 -4.1215 -4.1215 -3.3070 -3.3070 -3.2661 -3.2661 3.6142 3.6142 4.7698 4.7698 4.8071 4.8071 5.3423 5.3423 6.3826 6.3826 6.4454 6.4454 9.0005 9.0005 9.0017 9.0017 9.4437 9.4437 10.2939 10.2939 k = 0.3810 0.0956 0.0575 ( 4013 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8053 -19.8053 -5.7296 -5.7296 -4.6321 -4.6321 -4.1107 -4.1107 -3.3070 -3.3070 -3.2531 -3.2531 3.5827 3.5827 4.7681 4.7681 4.8055 4.8055 5.3875 5.3875 6.3867 6.3867 6.4497 6.4497 8.9996 8.9996 9.0008 9.0008 9.4301 9.4301 10.2868 10.2868 k = 0.3571 0.0896 0.0539 ( 4013 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8053 -19.8053 -5.7188 -5.7188 -4.6653 -4.6653 -4.0996 -4.0996 -3.3070 -3.3070 -3.2380 -3.2380 3.5474 3.5474 4.7662 4.7662 4.8035 4.8035 5.4395 5.4395 6.3917 6.3917 6.4546 6.4546 8.9987 8.9987 8.9998 8.9998 9.4136 9.4136 10.2777 10.2777 k = 0.3333 0.0836 0.0503 ( 4016 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8054 -19.8054 -5.7061 -5.7061 -4.7014 -4.7014 -4.0887 -4.0887 -3.3069 -3.3069 -3.2212 -3.2212 3.5094 3.5094 4.7640 4.7640 4.8013 4.8013 5.4966 5.4966 6.3972 6.3972 6.4602 6.4602 8.9976 8.9976 8.9987 8.9987 9.3944 9.3944 10.2667 10.2667 k = 0.3095 0.0777 0.0467 ( 4007 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9020 -20.9020 -19.8054 -19.8054 -5.6915 -5.6915 -4.7396 -4.7396 -4.0785 -4.0785 -3.3069 -3.3069 -3.2031 -3.2031 3.4699 3.4699 4.7616 4.7616 4.7989 4.7989 5.5576 5.5576 6.4033 6.4033 6.4664 6.4664 8.9964 8.9964 8.9975 8.9975 9.3725 9.3725 10.2538 10.2538 k = 0.2857 0.0717 0.0431 ( 4001 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8054 -19.8054 -5.6752 -5.6752 -4.7793 -4.7793 -4.0690 -4.0690 -3.3069 -3.3069 -3.1842 -3.1842 3.4299 3.4299 4.7592 4.7592 4.7964 4.7964 5.6210 5.6210 6.4097 6.4097 6.4729 6.4729 8.9951 8.9951 8.9962 8.9962 9.3481 9.3481 10.2393 10.2393 k = 0.2619 0.0657 0.0395 ( 3986 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8054 -19.8054 -5.6572 -5.6572 -4.8200 -4.8200 -4.0604 -4.0604 -3.3069 -3.3069 -3.1648 -3.1648 3.3903 3.3903 4.7567 4.7567 4.7939 4.7939 5.6856 5.6856 6.4165 6.4165 6.4796 6.4796 8.9938 8.9938 8.9949 8.9949 9.3217 9.3217 10.2233 10.2233 k = 0.2381 0.0597 0.0359 ( 3977 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8054 -19.8054 -5.6376 -5.6376 -4.8612 -4.8612 -4.0527 -4.0527 -3.3069 -3.3069 -3.1455 -3.1455 3.3519 3.3519 4.7541 4.7541 4.7913 4.7913 5.7501 5.7501 6.4233 6.4233 6.4864 6.4864 8.9925 8.9925 8.9936 8.9936 9.2934 9.2934 10.2065 10.2065 k = 0.2143 0.0538 0.0323 ( 3966 PWs) bands (ev): -42.5176 -42.5176 -21.4368 -21.4368 -20.9457 -20.9457 -20.9019 -20.9019 -19.8054 -19.8054 -5.6165 -5.6165 -4.9026 -4.9026 -4.0460 -4.0460 -3.3069 -3.3069 -3.1267 -3.1267 3.3153 3.3153 4.7517 4.7517 4.7888 4.7888 5.8134 5.8134 6.4302 6.4302 6.4932 6.4932 8.9911 8.9911 8.9923 8.9923 9.2639 9.2639 10.1894 10.1894 k = 0.1905 0.0478 0.0287 ( 3960 PWs) bands (ev): -42.5176 -42.5176 -21.4368 -21.4368 -20.9457 -20.9457 -20.9019 -20.9019 -19.8054 -19.8054 -5.5941 -5.5941 -4.9438 -4.9438 -4.0401 -4.0401 -3.3069 -3.3069 -3.1087 -3.1087 3.2812 3.2812 4.7493 4.7493 4.7864 4.7864 5.8742 5.8742 6.4369 6.4369 6.4997 6.4997 8.9899 8.9899 8.9910 8.9910 9.2337 9.2337 10.1724 10.1724 k = 0.1667 0.0418 0.0252 ( 3966 PWs) bands (ev): -42.5176 -42.5176 -21.4368 -21.4368 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.5706 -5.5706 -4.9842 -4.9842 -4.0351 -4.0351 -3.3069 -3.3069 -3.0920 -3.0920 3.2500 3.2500 4.7471 4.7471 4.7841 4.7841 5.9314 5.9314 6.4433 6.4433 6.5059 6.5059 8.9887 8.9887 8.9898 8.9898 9.2038 9.2038 10.1562 10.1562 k = 0.1429 0.0358 0.0216 ( 3972 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.5463 -5.5463 -5.0234 -5.0234 -4.0309 -4.0309 -3.3069 -3.3069 -3.0768 -3.0768 3.2222 3.2222 4.7450 4.7450 4.7820 4.7820 5.9839 5.9839 6.4493 6.4493 6.5115 6.5115 8.9875 8.9875 8.9887 8.9887 9.1749 9.1749 10.1412 10.1412 k = 0.1190 0.0299 0.0180 ( 3972 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.5218 -5.5218 -5.0609 -5.0609 -4.0274 -4.0274 -3.3069 -3.3069 -3.0634 -3.0634 3.1980 3.1980 4.7432 4.7432 4.7801 4.7801 6.0306 6.0306 6.4547 6.4547 6.5165 6.5165 8.9865 8.9865 8.9877 8.9877 9.1481 9.1481 10.1279 10.1279 k = 0.0952 0.0239 0.0144 ( 3978 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.4977 -5.4977 -5.0957 -5.0957 -4.0246 -4.0246 -3.3069 -3.3069 -3.0521 -3.0521 3.1779 3.1779 4.7416 4.7416 4.7785 4.7785 6.0703 6.0703 6.4594 6.4594 6.5208 6.5208 8.9856 8.9856 8.9869 8.9869 9.1244 9.1244 10.1167 10.1167 k = 0.0714 0.0179 0.0108 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.4752 -5.4752 -5.1266 -5.1266 -4.0225 -4.0225 -3.3068 -3.3068 -3.0431 -3.0431 3.1620 3.1620 4.7404 4.7404 4.7773 4.7773 6.1023 6.1023 6.4633 6.4633 6.5242 6.5242 8.9848 8.9848 8.9862 8.9862 9.1047 9.1047 10.1077 10.1077 k = 0.0476 0.0119 0.0072 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.4560 -5.4560 -5.1518 -5.1518 -4.0210 -4.0210 -3.3068 -3.3068 -3.0366 -3.0366 3.1505 3.1505 4.7395 4.7395 4.7763 4.7763 6.1257 6.1257 6.4662 6.4662 6.5267 6.5267 8.9843 8.9843 8.9858 8.9858 9.0900 9.0900 10.1011 10.1011 k = 0.0238 0.0060 0.0036 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9019 -20.9019 -19.8055 -19.8055 -5.4427 -5.4427 -5.1687 -5.1687 -4.0201 -4.0201 -3.3068 -3.3068 -3.0326 -3.0326 3.1436 3.1436 4.7390 4.7390 4.7758 4.7758 6.1400 6.1400 6.4681 6.4681 6.5282 6.5282 8.9839 8.9839 8.9855 8.9855 9.0809 9.0809 10.0971 10.0971 k = 0.0000 0.0000 0.0000 ( 3987 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9020 -20.9020 -19.8055 -19.8055 -5.4379 -5.4379 -5.1747 -5.1747 -4.0198 -4.0198 -3.3068 -3.3068 -3.0313 -3.0313 3.1413 3.1413 4.7388 4.7388 4.7756 4.7756 6.1448 6.1448 6.4687 6.4687 6.5287 6.5287 8.9838 8.9838 8.9854 8.9854 9.0778 9.0778 10.0958 10.0958 k = 0.0000 0.0000 0.0000 ( 3987 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9020 -20.9020 -19.8055 -19.8055 -5.4379 -5.4379 -5.1747 -5.1747 -4.0198 -4.0198 -3.3068 -3.3068 -3.0313 -3.0313 3.1413 3.1413 4.7388 4.7388 4.7756 4.7756 6.1448 6.1448 6.4687 6.4687 6.5287 6.5287 8.9838 8.9838 8.9854 8.9854 9.0778 9.0778 10.0958 10.0958 k = 0.0061-0.0114-0.0214 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9457 -20.9457 -20.9020 -20.9020 -19.8054 -19.8054 -5.4372 -5.4372 -5.1743 -5.1743 -4.0202 -4.0202 -3.3075 -3.3075 -3.0317 -3.0317 3.1427 3.1427 4.7379 4.7379 4.7747 4.7747 6.1452 6.1452 6.4644 6.4644 6.5244 6.5244 8.9850 8.9850 8.9871 8.9871 9.0794 9.0794 10.0993 10.0993 k = 0.0122-0.0227-0.0428 ( 3981 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9458 -20.9458 -20.9022 -20.9022 -19.8051 -19.8051 -5.4353 -5.4353 -5.1729 -5.1729 -4.0217 -4.0217 -3.3093 -3.3093 -3.0330 -3.0330 3.1468 3.1468 4.7348 4.7348 4.7726 4.7726 6.1462 6.1462 6.4508 6.4508 6.5126 6.5126 8.9875 8.9875 8.9933 8.9933 9.0842 9.0842 10.1097 10.1097 k = 0.0182-0.0341-0.0642 ( 3979 PWs) bands (ev): -42.5176 -42.5176 -21.4371 -21.4371 -20.9458 -20.9458 -20.9024 -20.9024 -19.8046 -19.8046 -5.4322 -5.4322 -5.1706 -5.1706 -4.0240 -4.0240 -3.3124 -3.3124 -3.0350 -3.0350 3.1538 3.1538 4.7284 4.7284 4.7705 4.7705 6.1476 6.1476 6.4259 6.4259 6.4959 6.4959 8.9913 8.9913 9.0031 9.0031 9.0925 9.0925 10.1268 10.1268 k = 0.0243-0.0454-0.0856 ( 3979 PWs) bands (ev): -42.5175 -42.5175 -21.4372 -21.4372 -20.9459 -20.9459 -20.9028 -20.9028 -19.8039 -19.8039 -5.4278 -5.4278 -5.1673 -5.1673 -4.0272 -4.0272 -3.3166 -3.3166 -3.0379 -3.0379 3.1635 3.1635 4.7177 4.7177 4.7694 4.7694 6.1492 6.1492 6.3885 6.3885 6.4765 6.4765 8.9965 8.9965 9.0154 9.0154 9.1047 9.1047 10.1502 10.1502 k = 0.0304-0.0568-0.1070 ( 3983 PWs) bands (ev): -42.5175 -42.5175 -21.4375 -21.4375 -20.9460 -20.9460 -20.9033 -20.9033 -19.8030 -19.8030 -5.4222 -5.4222 -5.1632 -5.1632 -4.0314 -4.0314 -3.3220 -3.3220 -3.0416 -3.0416 3.1759 3.1759 4.7027 4.7027 4.7698 4.7698 6.1503 6.1503 6.3396 6.3396 6.4551 6.4551 9.0032 9.0032 9.0290 9.0290 9.1213 9.1213 10.1792 10.1792 k = 0.0365-0.0681-0.1285 ( 3987 PWs) bands (ev): -42.5174 -42.5174 -21.4377 -21.4377 -20.9461 -20.9461 -20.9039 -20.9039 -19.8019 -19.8019 -5.4154 -5.4154 -5.1581 -5.1581 -4.0365 -4.0365 -3.3285 -3.3285 -3.0460 -3.0460 3.1909 3.1909 4.6836 4.6836 4.7715 4.7715 6.1494 6.1494 6.2818 6.2818 6.4312 6.4312 9.0113 9.0113 9.0428 9.0428 9.1427 9.1427 10.2133 10.2133 k = 0.0426-0.0795-0.1499 ( 3987 PWs) bands (ev): -42.5173 -42.5173 -21.4380 -21.4380 -20.9463 -20.9463 -20.9046 -20.9046 -19.8006 -19.8006 -5.4074 -5.4074 -5.1521 -5.1521 -4.0424 -4.0424 -3.3361 -3.3361 -3.0512 -3.0512 3.2085 3.2085 4.6613 4.6613 4.7741 4.7741 6.1414 6.1414 6.2217 6.2217 6.4047 6.4047 9.0209 9.0209 9.0559 9.0559 9.1689 9.1689 10.2515 10.2515 k = 0.0486-0.0908-0.1713 ( 3985 PWs) bands (ev): -42.5173 -42.5173 -21.4384 -21.4384 -20.9464 -20.9464 -20.9054 -20.9054 -19.7992 -19.7992 -5.3984 -5.3984 -5.1453 -5.1453 -4.0491 -4.0491 -3.3447 -3.3447 -3.0571 -3.0571 3.2285 3.2285 4.6362 4.6362 4.7774 4.7774 6.1046 6.1046 6.1822 6.1822 6.3755 6.3755 9.0320 9.0320 9.0682 9.0682 9.1993 9.1993 10.2930 10.2930 k = 0.0547-0.1022-0.1927 ( 3987 PWs) bands (ev): -42.5172 -42.5172 -21.4388 -21.4388 -20.9466 -20.9466 -20.9062 -20.9062 -19.7975 -19.7975 -5.3883 -5.3883 -5.1375 -5.1375 -4.0566 -4.0566 -3.3541 -3.3541 -3.0638 -3.0638 3.2509 3.2509 4.6088 4.6088 4.7811 4.7811 6.0331 6.0331 6.1699 6.1699 6.3439 6.3439 9.0443 9.0443 9.0796 9.0796 9.2334 9.2334 10.3365 10.3365 k = 0.0608-0.1135-0.2141 ( 3989 PWs) bands (ev): -42.5170 -42.5170 -21.4392 -21.4392 -20.9468 -20.9468 -20.9072 -20.9072 -19.7957 -19.7957 -5.3773 -5.3773 -5.1289 -5.1289 -4.0648 -4.0648 -3.3645 -3.3645 -3.0710 -3.0710 3.2756 3.2756 4.5795 4.5795 4.7851 4.7851 5.9489 5.9489 6.1632 6.1632 6.3103 6.3103 9.0580 9.0580 9.0902 9.0902 9.2707 9.2707 10.3811 10.3811 k = 0.0669-0.1249-0.2355 ( 3985 PWs) bands (ev): -42.5169 -42.5169 -21.4397 -21.4397 -20.9471 -20.9471 -20.9082 -20.9082 -19.7937 -19.7937 -5.3654 -5.3654 -5.1195 -5.1195 -4.0737 -4.0737 -3.3756 -3.3756 -3.0789 -3.0789 3.3023 3.3023 4.5488 4.5488 4.7894 4.7894 5.8592 5.8592 6.1550 6.1550 6.2760 6.2760 9.0728 9.0728 9.1001 9.1001 9.3105 9.3105 10.4252 10.4252 k = 0.0730-0.1362-0.2569 ( 3985 PWs) bands (ev): -42.5168 -42.5168 -21.4402 -21.4402 -20.9473 -20.9473 -20.9092 -20.9092 -19.7916 -19.7916 -5.3526 -5.3526 -5.1092 -5.1092 -4.0832 -4.0832 -3.3875 -3.3875 -3.0874 -3.0874 3.3311 3.3311 4.5169 4.5169 4.7936 4.7936 5.7660 5.7660 6.1422 6.1422 6.2427 6.2427 9.0887 9.0887 9.1095 9.1095 9.3524 9.3524 10.4675 10.4675 k = 0.0790-0.1476-0.2783 ( 3983 PWs) bands (ev): -42.5167 -42.5167 -21.4408 -21.4408 -20.9476 -20.9476 -20.9104 -20.9104 -19.7893 -19.7893 -5.3392 -5.3392 -5.0981 -5.0981 -4.0932 -4.0932 -3.4000 -3.4000 -3.0965 -3.0965 3.3616 3.3616 4.4842 4.4842 4.7977 4.7977 5.6707 5.6707 6.1215 6.1215 6.2134 6.2134 9.1052 9.1052 9.1185 9.1185 9.3961 9.3961 10.5061 10.5061 k = 0.0851-0.1590-0.2997 ( 3975 PWs) bands (ev): -42.5165 -42.5165 -21.4413 -21.4413 -20.9479 -20.9479 -20.9115 -20.9115 -19.7869 -19.7869 -5.3250 -5.3250 -5.0862 -5.0862 -4.1037 -4.1037 -3.4130 -3.4130 -3.1061 -3.1061 3.3939 3.3939 4.4511 4.4511 4.8014 4.8014 5.5743 5.5743 6.0909 6.0909 6.1902 6.1902 9.1207 9.1207 9.1289 9.1289 9.4412 9.4412 10.5391 10.5391 k = 0.0912-0.1703-0.3211 ( 3977 PWs) bands (ev): -42.5164 -42.5164 -21.4420 -21.4420 -20.9483 -20.9483 -20.9128 -20.9128 -19.7844 -19.7844 -5.3104 -5.3104 -5.0735 -5.0735 -4.1145 -4.1145 -3.4265 -3.4265 -3.1163 -3.1163 3.4275 3.4275 4.4176 4.4176 4.8046 4.8046 5.4776 5.4776 6.0518 6.0518 6.1716 6.1716 9.1308 9.1308 9.1449 9.1449 9.4873 9.4873 10.5644 10.5644 k = 0.0973-0.1817-0.3425 ( 3977 PWs) bands (ev): -42.5162 -42.5162 -21.4426 -21.4426 -20.9487 -20.9487 -20.9140 -20.9140 -19.7817 -19.7817 -5.2953 -5.2953 -5.0600 -5.0600 -4.1256 -4.1256 -3.4404 -3.4404 -3.1269 -3.1269 3.4624 3.4624 4.3841 4.3841 4.8068 4.8068 5.3816 5.3816 6.0072 6.0072 6.1548 6.1548 9.1380 9.1380 9.1638 9.1638 9.5339 9.5339 10.5808 10.5808 k = 0.1034-0.1930-0.3639 ( 3979 PWs) bands (ev): -42.5161 -42.5161 -21.4433 -21.4433 -20.9491 -20.9491 -20.9153 -20.9153 -19.7790 -19.7790 -5.2799 -5.2799 -5.0459 -5.0459 -4.1369 -4.1369 -3.4547 -3.4547 -3.1379 -3.1379 3.4982 3.4982 4.3508 4.3508 4.8077 4.8077 5.2872 5.2872 5.9592 5.9592 6.1381 6.1381 9.1442 9.1442 9.1836 9.1836 9.5809 9.5809 10.5882 10.5882 k = 0.1094-0.2044-0.3854 ( 3979 PWs) bands (ev): -42.5159 -42.5159 -21.4440 -21.4440 -20.9495 -20.9495 -20.9166 -20.9166 -19.7761 -19.7761 -5.2644 -5.2644 -5.0310 -5.0310 -4.1482 -4.1482 -3.4691 -3.4691 -3.1494 -3.1494 3.5347 3.5347 4.3180 4.3180 4.8066 4.8066 5.1955 5.1955 5.9089 5.9089 6.1205 6.1205 9.1496 9.1496 9.2041 9.2041 9.6277 9.6277 10.5877 10.5877 k = 0.1155-0.2157-0.4068 ( 3976 PWs) bands (ev): -42.5157 -42.5157 -21.4448 -21.4448 -20.9500 -20.9500 -20.9179 -20.9179 -19.7732 -19.7732 -5.2487 -5.2487 -5.0155 -5.0155 -4.1593 -4.1593 -3.4838 -3.4838 -3.1613 -3.1613 3.5715 3.5715 4.2857 4.2857 4.8023 4.8023 5.1083 5.1083 5.8572 5.8572 6.1015 6.1015 9.1545 9.1545 9.2249 9.2249 9.6739 9.6739 10.5808 10.5808 k = 0.1216-0.2271-0.4282 ( 3976 PWs) bands (ev): -42.5156 -42.5156 -21.4455 -21.4455 -20.9505 -20.9505 -20.9193 -20.9193 -19.7702 -19.7702 -5.2331 -5.2331 -4.9993 -4.9993 -4.1704 -4.1704 -3.4986 -3.4986 -3.1735 -3.1735 3.6081 3.6081 4.2541 4.2541 4.7925 4.7925 5.0284 5.0284 5.8045 5.8045 6.0809 6.0809 9.1588 9.1588 9.2461 9.2461 9.7192 9.7192 10.5693 10.5693 k = 0.1277-0.2384-0.4496 ( 3974 PWs) bands (ev): -42.5154 -42.5154 -21.4463 -21.4463 -20.9510 -20.9510 -20.9206 -20.9206 -19.7671 -19.7671 -5.2177 -5.2177 -4.9826 -4.9826 -4.1810 -4.1810 -3.5134 -3.5134 -3.1860 -3.1860 3.6441 3.6441 4.2234 4.2234 4.7729 4.7729 4.9607 4.9607 5.7512 5.7512 6.0588 6.0588 9.1627 9.1627 9.2674 9.2674 9.7630 9.7630 10.5545 10.5545 k = 0.1338-0.2498-0.4710 ( 3968 PWs) bands (ev): -42.5152 -42.5152 -21.4471 -21.4471 -20.9516 -20.9516 -20.9219 -20.9219 -19.7640 -19.7640 -5.2026 -5.2026 -4.9653 -4.9653 -4.1913 -4.1913 -3.5282 -3.5282 -3.1988 -3.1988 3.6786 3.6786 4.1937 4.1937 4.7379 4.7379 4.9114 4.9114 5.6977 5.6977 6.0351 6.0351 9.1662 9.1662 9.2888 9.2888 9.8048 9.8048 10.5377 10.5377 k = 0.1398-0.2611-0.4924 ( 3966 PWs) bands (ev): -42.5150 -42.5150 -21.4479 -21.4479 -20.9522 -20.9522 -20.9232 -20.9232 -19.7609 -19.7609 -5.1879 -5.1879 -4.9476 -4.9476 -4.2010 -4.2010 -3.5429 -3.5429 -3.2119 -3.2119 3.7107 3.7107 4.1651 4.1651 4.6882 4.6882 4.8809 4.8809 5.6441 5.6441 6.0099 6.0099 9.1693 9.1693 9.3102 9.3102 9.8442 9.8442 10.5200 10.5200 k = 0.1459-0.2725-0.5138 ( 3968 PWs) bands (ev): -42.5148 -42.5148 -21.4487 -21.4487 -20.9528 -20.9528 -20.9245 -20.9245 -19.7577 -19.7577 -5.1737 -5.1737 -4.9294 -4.9294 -4.2101 -4.2101 -3.5575 -3.5575 -3.2253 -3.2253 3.7394 3.7394 4.1377 4.1377 4.6322 4.6322 4.8617 4.8617 5.5908 5.5908 5.9833 5.9833 9.1722 9.1722 9.3317 9.3317 9.8803 9.8803 10.5023 10.5023 k = 0.1520-0.2838-0.5352 ( 3966 PWs) bands (ev): -42.5146 -42.5146 -21.4495 -21.4495 -20.9534 -20.9534 -20.9258 -20.9258 -19.7545 -19.7545 -5.1600 -5.1600 -4.9109 -4.9109 -4.2185 -4.2185 -3.5719 -3.5719 -3.2388 -3.2388 3.7631 3.7631 4.1116 4.1116 4.5779 4.5779 4.8474 4.8474 5.5379 5.5379 5.9555 5.9555 9.1750 9.1750 9.3530 9.3530 9.9127 9.9127 10.4856 10.4856 k = 0.1581-0.2952-0.5566 ( 3962 PWs) bands (ev): -42.5145 -42.5145 -21.4503 -21.4503 -20.9541 -20.9541 -20.9270 -20.9270 -19.7513 -19.7513 -5.1470 -5.1470 -4.8922 -4.8922 -4.2261 -4.2261 -3.5860 -3.5860 -3.2525 -3.2525 3.7800 3.7800 4.0869 4.0869 4.5304 4.5304 4.8345 4.8345 5.4858 5.4858 5.9264 5.9264 9.1776 9.1776 9.3742 9.3742 9.9405 9.9405 10.4709 10.4709 k = 0.1642-0.3066-0.5780 ( 3958 PWs) bands (ev): -42.5143 -42.5143 -21.4511 -21.4511 -20.9547 -20.9547 -20.9282 -20.9282 -19.7482 -19.7482 -5.1347 -5.1347 -4.8733 -4.8733 -4.2328 -4.2328 -3.5997 -3.5997 -3.2663 -3.2663 3.7885 3.7885 4.0635 4.0635 4.4931 4.4931 4.8215 4.8215 5.4345 5.4345 5.8964 5.8964 9.1802 9.1802 9.3953 9.3953 9.9631 9.9631 10.4591 10.4591 k = 0.1702-0.3179-0.5994 ( 3958 PWs) bands (ev): -42.5141 -42.5141 -21.4519 -21.4519 -20.9554 -20.9554 -20.9294 -20.9294 -19.7451 -19.7451 -5.1231 -5.1231 -4.8545 -4.8545 -4.2387 -4.2387 -3.6131 -3.6131 -3.2803 -3.2803 3.7871 3.7871 4.0416 4.0416 4.4681 4.4681 4.8073 4.8073 5.3843 5.3843 5.8654 5.8654 9.1829 9.1829 9.4161 9.4161 9.9800 9.9800 10.4511 10.4511 k = 0.1763-0.3293-0.6209 ( 3958 PWs) bands (ev): -42.5139 -42.5139 -21.4527 -21.4527 -20.9560 -20.9560 -20.9305 -20.9305 -19.7420 -19.7420 -5.1123 -5.1123 -4.8357 -4.8357 -4.2438 -4.2438 -3.6259 -3.6259 -3.2943 -3.2943 3.7754 3.7754 4.0213 4.0213 4.4561 4.4561 4.7915 4.7915 5.3353 5.3353 5.8337 5.8337 9.1857 9.1857 9.4367 9.4367 9.9907 9.9907 10.4474 10.4474 k = 0.1824-0.3406-0.6423 ( 3962 PWs) bands (ev): -42.5137 -42.5137 -21.4535 -21.4535 -20.9567 -20.9567 -20.9317 -20.9317 -19.7389 -19.7389 -5.1021 -5.1021 -4.8171 -4.8171 -4.2479 -4.2479 -3.6382 -3.6382 -3.3084 -3.3084 3.7545 3.7545 4.0024 4.0024 4.4565 4.4565 4.7739 4.7739 5.2876 5.2876 5.8013 5.8013 9.1886 9.1886 9.4569 9.4569 9.9954 9.9954 10.4482 10.4482 k = 0.1885-0.3520-0.6637 ( 3964 PWs) bands (ev): -42.5136 -42.5136 -21.4543 -21.4543 -20.9573 -20.9573 -20.9328 -20.9328 -19.7359 -19.7359 -5.0926 -5.0926 -4.7989 -4.7989 -4.2513 -4.2513 -3.6498 -3.6498 -3.3224 -3.3224 3.7263 3.7263 3.9850 3.9850 4.4674 4.4674 4.7542 4.7542 5.2415 5.2415 5.7685 5.7685 9.1917 9.1917 9.4769 9.4769 9.9947 9.9947 10.4531 10.4531 k = 0.1946-0.3633-0.6851 ( 3964 PWs) bands (ev): -42.5134 -42.5134 -21.4551 -21.4551 -20.9580 -20.9580 -20.9339 -20.9339 -19.7330 -19.7330 -5.0838 -5.0838 -4.7811 -4.7811 -4.2538 -4.2538 -3.6607 -3.6607 -3.3365 -3.3365 3.6931 3.6931 3.9692 3.9692 4.4866 4.4866 4.7324 4.7324 5.1970 5.1970 5.7353 5.7353 9.1949 9.1949 9.4965 9.4965 9.9896 9.9896 10.4615 10.4615 k = 0.2006-0.3747-0.7065 ( 3974 PWs) bands (ev): -42.5132 -42.5132 -21.4558 -21.4558 -20.9586 -20.9586 -20.9350 -20.9350 -19.7302 -19.7302 -5.0756 -5.0756 -4.7640 -4.7640 -4.2556 -4.2556 -3.6709 -3.6709 -3.3506 -3.3506 3.6571 3.6571 3.9549 3.9549 4.5118 4.5118 4.7084 4.7084 5.1542 5.1542 5.7018 5.7018 9.1982 9.1982 9.5157 9.5157 9.9812 9.9812 10.4727 10.4727 k = 0.2067-0.3860-0.7279 ( 3974 PWs) bands (ev): -42.5131 -42.5131 -21.4566 -21.4566 -20.9592 -20.9592 -20.9360 -20.9360 -19.7275 -19.7275 -5.0678 -5.0678 -4.7476 -4.7476 -4.2567 -4.2567 -3.6802 -3.6802 -3.3645 -3.3645 3.6202 3.6202 3.9421 3.9421 4.5409 4.5409 4.6824 4.6824 5.1134 5.1134 5.6682 5.6682 9.2016 9.2016 9.5345 9.5345 9.9706 9.9706 10.4856 10.4856 k = 0.2128-0.3974-0.7493 ( 3976 PWs) bands (ev): -42.5129 -42.5129 -21.4573 -21.4573 -20.9597 -20.9597 -20.9370 -20.9370 -19.7248 -19.7248 -5.0605 -5.0605 -4.7322 -4.7322 -4.2571 -4.2571 -3.6886 -3.6886 -3.3783 -3.3783 3.5838 3.5838 3.9308 3.9308 4.5716 4.5716 4.6553 4.6553 5.0746 5.0746 5.6346 5.6346 9.2049 9.2049 9.5529 9.5529 9.9590 9.9590 10.4996 10.4996 k = 0.2189-0.4087-0.7707 ( 3976 PWs) bands (ev): -42.5128 -42.5128 -21.4579 -21.4579 -20.9602 -20.9602 -20.9380 -20.9380 -19.7223 -19.7223 -5.0535 -5.0535 -4.7178 -4.7178 -4.2570 -4.2570 -3.6961 -3.6961 -3.3920 -3.3920 3.5491 3.5491 3.9210 3.9210 4.5950 4.5950 4.6347 4.6347 5.0379 5.0379 5.6011 5.6011 9.2081 9.2081 9.5708 9.5708 9.9473 9.9473 10.5142 10.5142 k = 0.2250-0.4201-0.7921 ( 3974 PWs) bands (ev): -42.5126 -42.5126 -21.4585 -21.4585 -20.9606 -20.9606 -20.9390 -20.9390 -19.7199 -19.7199 -5.0468 -5.0468 -4.7047 -4.7047 -4.2564 -4.2564 -3.7026 -3.7026 -3.4055 -3.4055 3.5168 3.5168 3.9125 3.9125 4.5794 4.5794 4.6517 4.6517 5.0034 5.0034 5.5678 5.5678 9.2110 9.2110 9.5882 9.5882 9.9362 9.9362 10.5288 10.5288 k = 0.2310-0.4314-0.8135 ( 3976 PWs) bands (ev): -42.5125 -42.5125 -21.4591 -21.4591 -20.9610 -20.9610 -20.9400 -20.9400 -19.7176 -19.7176 -5.0402 -5.0402 -4.6929 -4.6929 -4.2553 -4.2553 -3.7082 -3.7082 -3.4187 -3.4187 3.4876 3.4876 3.9054 3.9054 4.5461 4.5461 4.6843 4.6843 4.9712 4.9712 5.5349 5.5349 9.2136 9.2136 9.6052 9.6052 9.9262 9.9262 10.5432 10.5432 k = 0.2371-0.4428-0.8349 ( 3978 PWs) bands (ev): -42.5124 -42.5124 -21.4597 -21.4597 -20.9613 -20.9613 -20.9410 -20.9410 -19.7154 -19.7154 -5.0337 -5.0337 -4.6826 -4.6826 -4.2537 -4.2537 -3.7128 -3.7128 -3.4317 -3.4317 3.4620 3.4620 3.8996 3.8996 4.5087 4.5087 4.7184 4.7184 4.9414 4.9414 5.5023 5.5023 9.2158 9.2158 9.6217 9.6217 9.9177 9.9177 10.5573 10.5573 k = 0.2432-0.4542-0.8564 ( 3972 PWs) bands (ev): -42.5123 -42.5123 -21.4602 -21.4602 -20.9615 -20.9615 -20.9419 -20.9419 -19.7133 -19.7133 -5.0272 -5.0272 -4.6739 -4.6739 -4.2517 -4.2517 -3.7165 -3.7165 -3.4444 -3.4444 3.4402 3.4402 3.8951 3.8951 4.4688 4.4688 4.7521 4.7521 4.9141 4.9141 5.4703 5.4703 9.2175 9.2175 9.6377 9.6377 9.9108 9.9108 10.5710 10.5710 k = 0.2493-0.4655-0.8778 ( 3968 PWs) bands (ev): -42.5122 -42.5122 -21.4607 -21.4607 -20.9617 -20.9617 -20.9429 -20.9429 -19.7114 -19.7114 -5.0206 -5.0206 -4.6669 -4.6669 -4.2492 -4.2492 -3.7194 -3.7194 -3.4567 -3.4567 3.4226 3.4226 3.8916 3.8916 4.4267 4.4267 4.7848 4.7848 4.8895 4.8895 5.4388 5.4388 9.2189 9.2189 9.6533 9.6533 9.9056 9.9056 10.5843 10.5843 k = 0.2554-0.4769-0.8992 ( 3974 PWs) bands (ev): -42.5121 -42.5121 -21.4611 -21.4611 -20.9618 -20.9618 -20.9438 -20.9438 -19.7096 -19.7096 -5.0140 -5.0140 -4.6615 -4.6615 -4.2464 -4.2464 -3.7214 -3.7214 -3.4686 -3.4686 3.4094 3.4094 3.8893 3.8893 4.3827 4.3827 4.8159 4.8159 4.8677 4.8677 5.4081 5.4081 9.2199 9.2199 9.6683 9.6683 9.9019 9.9019 10.5975 10.5975 k = 0.2614-0.4882-0.9206 ( 3974 PWs) bands (ev): -42.5120 -42.5120 -21.4615 -21.4615 -20.9618 -20.9618 -20.9448 -20.9448 -19.7080 -19.7080 -5.0072 -5.0072 -4.6579 -4.6579 -4.2432 -4.2432 -3.7228 -3.7228 -3.4800 -3.4800 3.4008 3.4008 3.8879 3.8879 4.3369 4.3369 4.8405 4.8405 4.8533 4.8533 5.3781 5.3781 9.2208 9.2208 9.6830 9.6830 9.8994 9.8994 10.6106 10.6106 k = 0.2675-0.4996-0.9420 ( 3978 PWs) bands (ev): -42.5119 -42.5119 -21.4619 -21.4619 -20.9618 -20.9618 -20.9457 -20.9457 -19.7065 -19.7065 -5.0004 -5.0004 -4.6558 -4.6558 -4.2397 -4.2397 -3.7235 -3.7235 -3.4909 -3.4909 3.3968 3.3968 3.8873 3.8873 4.2896 4.2896 4.8295 4.8295 4.8754 4.8754 5.3491 5.3491 9.2215 9.2215 9.6971 9.6971 9.8977 9.8977 10.6241 10.6241 k = 0.2736-0.5109-0.9634 ( 3984 PWs) bands (ev): -42.5118 -42.5118 -21.4623 -21.4623 -20.9616 -20.9616 -20.9466 -20.9466 -19.7052 -19.7052 -4.9934 -4.9934 -4.6553 -4.6553 -4.2360 -4.2360 -3.7237 -3.7237 -3.5011 -3.5011 3.3975 3.3975 3.8875 3.8875 4.2409 4.2409 4.8158 4.8158 4.9009 4.9009 5.3210 5.3210 9.2224 9.2224 9.7108 9.7108 9.8962 9.8962 10.6382 10.6382 k = 0.2797-0.5223-0.9848 ( 3982 PWs) bands (ev): -42.5117 -42.5117 -21.4625 -21.4625 -20.9614 -20.9614 -20.9475 -20.9475 -19.7040 -19.7040 -4.9864 -4.9864 -4.6561 -4.6561 -4.2322 -4.2322 -3.7234 -3.7234 -3.5107 -3.5107 3.4030 3.4030 3.8883 3.8883 4.1911 4.1911 4.8046 4.8046 4.9244 4.9244 5.2940 5.2940 9.2234 9.2234 9.7241 9.7241 9.8945 9.8945 10.6531 10.6531 k = 0.2858-0.5336-1.0062 ( 3982 PWs) bands (ev): -42.5117 -42.5117 -21.4628 -21.4628 -20.9612 -20.9612 -20.9484 -20.9484 -19.7029 -19.7029 -4.9795 -4.9795 -4.6580 -4.6580 -4.2285 -4.2285 -3.7229 -3.7229 -3.5195 -3.5195 3.4133 3.4133 3.8896 3.8896 4.1402 4.1402 4.7960 4.7960 4.9458 4.9458 5.2682 5.2682 9.2248 9.2248 9.7369 9.7369 9.8919 9.8919 10.6694 10.6694 k = 0.2918-0.5450-1.0276 ( 3984 PWs) bands (ev): -42.5116 -42.5116 -21.4630 -21.4630 -20.9609 -20.9609 -20.9493 -20.9493 -19.7020 -19.7020 -4.9727 -4.9727 -4.6608 -4.6608 -4.2249 -4.2249 -3.7222 -3.7222 -3.5274 -3.5274 3.4284 3.4284 3.8913 3.8913 4.0886 4.0886 4.7901 4.7901 4.9648 4.9648 5.2438 5.2438 9.2266 9.2266 9.7493 9.7493 9.8881 9.8881 10.6872 10.6872 k = 0.2979-0.5563-1.0490 ( 3986 PWs) bands (ev): -42.5116 -42.5116 -21.4632 -21.4632 -20.9605 -20.9605 -20.9502 -20.9502 -19.7012 -19.7012 -4.9661 -4.9661 -4.6642 -4.6642 -4.2215 -4.2215 -3.7214 -3.7214 -3.5343 -3.5343 3.4482 3.4482 3.8933 3.8933 4.0363 4.0363 4.7868 4.7868 4.9815 4.9815 5.2208 5.2208 9.2287 9.2287 9.7612 9.7612 9.8826 9.8826 10.7068 10.7068 k = 0.3040-0.5677-1.0704 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4634 -21.4634 -20.9600 -20.9600 -20.9511 -20.9511 -19.7006 -19.7006 -4.9600 -4.9600 -4.6679 -4.6679 -4.2185 -4.2185 -3.7207 -3.7207 -3.5402 -3.5402 3.4726 3.4726 3.8952 3.8952 3.9838 3.9838 4.7859 4.7859 4.9959 4.9959 5.1993 5.1993 9.2311 9.2311 9.7726 9.7726 9.8753 9.8753 10.7283 10.7283 k = 0.3101-0.5790-1.0918 ( 3988 PWs) bands (ev): -42.5115 -42.5115 -21.4635 -21.4635 -20.9595 -20.9595 -20.9519 -20.9519 -19.7001 -19.7001 -4.9546 -4.9546 -4.6715 -4.6715 -4.2160 -4.2160 -3.7201 -3.7201 -3.5450 -3.5450 3.5015 3.5015 3.8957 3.8957 3.9326 3.9326 4.7874 4.7874 5.0079 5.0079 5.1796 5.1796 9.2335 9.2335 9.7835 9.7835 9.8662 9.8662 10.7517 10.7517 k = 0.3162-0.5904-1.1133 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9590 -20.9590 -20.9526 -20.9526 -19.6997 -19.6997 -4.9500 -4.9500 -4.6748 -4.6748 -4.2141 -4.2141 -3.7197 -3.7197 -3.5485 -3.5485 3.5349 3.5349 3.8721 3.8721 3.9054 3.9054 4.7911 4.7911 5.0177 5.0177 5.1619 5.1619 9.2355 9.2355 9.7936 9.7936 9.8556 9.8556 10.7771 10.7771 k = 0.3222-0.6018-1.1347 ( 3998 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9585 -20.9585 -20.9533 -20.9533 -19.6994 -19.6994 -4.9466 -4.9466 -4.6774 -4.6774 -4.2128 -4.2128 -3.7196 -3.7196 -3.5507 -3.5507 3.5724 3.5724 3.8212 3.8212 3.9055 3.9055 4.7966 4.7966 5.0253 5.0253 5.1463 5.1463 9.2367 9.2367 9.8026 9.8026 9.8442 9.8442 10.8043 10.8043 k = 0.3283-0.6131-1.1561 ( 3996 PWs) bands (ev): -42.5115 -42.5115 -21.4637 -21.4637 -20.9582 -20.9582 -20.9537 -20.9537 -19.6993 -19.6993 -4.9445 -4.9445 -4.6789 -4.6789 -4.2122 -4.2122 -3.7198 -3.7198 -3.5516 -3.5516 3.6138 3.6138 3.7688 3.7688 3.9076 3.9076 4.8036 4.8036 5.0310 5.0310 5.1331 5.1331 9.2366 9.2366 9.8086 9.8086 9.8343 9.8343 10.8330 10.8330 k = 0.3344-0.6245-1.1775 ( 3992 PWs) bands (ev): -42.5115 -42.5115 -21.4637 -21.4637 -20.9581 -20.9581 -20.9538 -20.9538 -19.6992 -19.6992 -4.9438 -4.9438 -4.6793 -4.6793 -4.2123 -4.2123 -3.7203 -3.7203 -3.5512 -3.5512 3.6578 3.6578 3.7177 3.7177 3.9098 3.9098 4.8117 4.8117 5.0348 5.0348 5.1227 5.1227 9.2342 9.2342 9.8063 9.8063 9.8322 9.8322 10.8629 10.8629 k = 0.3405-0.6358-1.1989 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9583 -20.9583 -20.9536 -20.9536 -19.6993 -19.6993 -4.9448 -4.9448 -4.6782 -4.6782 -4.2132 -4.2132 -3.7212 -3.7212 -3.5496 -3.5496 3.6595 3.6595 3.7130 3.7130 3.9121 3.9121 4.8205 4.8205 5.0370 5.0370 5.1152 5.1152 9.2287 9.2287 9.7968 9.7968 9.8373 9.8373 10.8938 10.8938 k = 0.6595-0.5104-1.1234 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9583 -20.9583 -20.9536 -20.9536 -19.6993 -19.6993 -4.9448 -4.9448 -4.6782 -4.6782 -4.2132 -4.2132 -3.7212 -3.7212 -3.5496 -3.5496 3.6595 3.6595 3.7130 3.7130 3.9121 3.9121 4.8205 4.8205 5.0370 5.0370 5.1152 5.1152 9.2287 9.2287 9.7968 9.7968 9.8373 9.8373 10.8938 10.8938 k = 0.6536-0.4868-1.1234 ( 3984 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9587 -20.9587 -20.9530 -20.9530 -19.6995 -19.6995 -4.9472 -4.9472 -4.6758 -4.6758 -4.2146 -4.2146 -3.7223 -3.7223 -3.5469 -3.5469 3.6112 3.6112 3.7622 3.7622 3.9142 3.9142 4.8292 4.8292 5.0379 5.0379 5.1111 5.1111 9.2197 9.2197 9.7870 9.7870 9.8440 9.8440 10.9243 10.9243 k = 0.6477-0.4633-1.1234 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4636 -21.4636 -20.9593 -20.9593 -20.9523 -20.9523 -19.6997 -19.6997 -4.9511 -4.9511 -4.6722 -4.6722 -4.2167 -4.2167 -3.7235 -3.7235 -3.5432 -3.5432 3.5619 3.5619 3.8159 3.8159 3.9161 3.9161 4.8375 4.8375 5.0377 5.0377 5.1105 5.1105 9.2062 9.2062 9.7788 9.7788 9.8507 9.8507 10.9551 10.9551 k = 0.6418-0.4397-1.1234 ( 3984 PWs) bands (ev): -42.5115 -42.5115 -21.4635 -21.4635 -20.9600 -20.9600 -20.9514 -20.9514 -19.7000 -19.7000 -4.9564 -4.9564 -4.6674 -4.6674 -4.2194 -4.2194 -3.7247 -3.7247 -3.5386 -3.5386 3.5132 3.5132 3.8722 3.8722 3.9182 3.9182 4.8451 4.8451 5.0367 5.0367 5.1134 5.1134 9.1876 9.1876 9.7734 9.7734 9.8572 9.8572 10.9858 10.9858 k = 0.6359-0.4162-1.1234 ( 3986 PWs) bands (ev): -42.5115 -42.5115 -21.4634 -21.4634 -20.9607 -20.9607 -20.9504 -20.9504 -19.7004 -19.7004 -4.9627 -4.9627 -4.6616 -4.6616 -4.2225 -4.2225 -3.7260 -3.7260 -3.5332 -3.5332 3.4654 3.4654 3.9169 3.9169 3.9341 3.9341 4.8517 4.8517 5.0351 5.0351 5.1201 5.1201 9.1636 9.1636 9.7711 9.7711 9.8631 9.8631 11.0159 11.0159 k = 0.6300-0.3926-1.1234 ( 3986 PWs) bands (ev): -42.5116 -42.5116 -21.4633 -21.4633 -20.9614 -20.9614 -20.9494 -20.9494 -19.7009 -19.7009 -4.9701 -4.9701 -4.6550 -4.6550 -4.2262 -4.2262 -3.7271 -3.7271 -3.5271 -3.5271 3.4187 3.4187 3.9199 3.9199 3.9934 3.9934 4.8572 4.8572 5.0332 5.0332 5.1305 5.1305 9.1342 9.1342 9.7723 9.7723 9.8685 9.8685 11.0306 11.0306 k = 0.6241-0.3691-1.1234 ( 3986 PWs) bands (ev): -42.5116 -42.5116 -21.4632 -21.4632 -20.9621 -20.9621 -20.9484 -20.9484 -19.7014 -19.7014 -4.9781 -4.9781 -4.6479 -4.6479 -4.2302 -4.2302 -3.7281 -3.7281 -3.5206 -3.5206 3.3731 3.3731 3.9212 3.9212 4.0557 4.0557 4.8616 4.8616 5.0313 5.0313 5.1441 5.1441 9.0997 9.0997 9.7766 9.7766 9.8734 9.8734 11.0190 11.0190 k = 0.6182-0.3455-1.1234 ( 3988 PWs) bands (ev): -42.5116 -42.5116 -21.4631 -21.4631 -20.9628 -20.9628 -20.9474 -20.9474 -19.7019 -19.7019 -4.9867 -4.9867 -4.6404 -4.6404 -4.2345 -4.2345 -3.7288 -3.7288 -3.5136 -3.5136 3.3288 3.3288 3.9222 3.9222 4.1190 4.1190 4.8652 4.8652 5.0298 5.0298 5.1607 5.1607 9.0604 9.0604 9.7838 9.7838 9.8778 9.8778 11.0080 11.0080 k = 0.6123-0.3220-1.1234 ( 3992 PWs) bands (ev): -42.5116 -42.5116 -21.4630 -21.4630 -20.9634 -20.9634 -20.9463 -20.9463 -19.7025 -19.7025 -4.9957 -4.9957 -4.6328 -4.6328 -4.2391 -4.2391 -3.7292 -3.7292 -3.5063 -3.5063 3.2860 3.2860 3.9230 3.9230 4.1826 4.1826 4.8682 4.8682 5.0292 5.0292 5.1797 5.1797 9.0170 9.0170 9.7933 9.7933 9.8816 9.8816 10.9981 10.9981 k = 0.6063-0.2984-1.1234 ( 3982 PWs) bands (ev): -42.5117 -42.5117 -21.4629 -21.4629 -20.9641 -20.9641 -20.9452 -20.9452 -19.7031 -19.7031 -5.0050 -5.0050 -4.6252 -4.6252 -4.2438 -4.2438 -3.7293 -3.7293 -3.4988 -3.4988 3.2447 3.2447 3.9235 3.9235 4.2458 4.2458 4.8708 4.8708 5.0300 5.0300 5.2006 5.2006 8.9701 8.9701 9.8046 9.8046 9.8850 9.8850 10.9896 10.9896 k = 0.6004-0.2749-1.1234 ( 3982 PWs) bands (ev): -42.5117 -42.5117 -21.4628 -21.4628 -20.9647 -20.9647 -20.9442 -20.9442 -19.7038 -19.7038 -5.0142 -5.0142 -4.6178 -4.6178 -4.2485 -4.2485 -3.7291 -3.7291 -3.4911 -3.4911 3.2050 3.2050 3.9239 3.9239 4.3076 4.3076 4.8733 4.8733 5.0328 5.0328 5.2228 5.2228 8.9203 8.9203 9.8173 9.8173 9.8880 9.8880 10.9826 10.9826 k = 0.5945-0.2513-1.1234 ( 3988 PWs) bands (ev): -42.5118 -42.5118 -21.4627 -21.4627 -20.9653 -20.9653 -20.9431 -20.9431 -19.7044 -19.7044 -5.0235 -5.0235 -4.6107 -4.6107 -4.2533 -4.2533 -3.7285 -3.7285 -3.4835 -3.4835 3.1670 3.1670 3.9241 3.9241 4.3670 4.3670 4.8759 4.8759 5.0384 5.0384 5.2459 5.2459 8.8683 8.8683 9.8307 9.8307 9.8907 9.8907 10.9773 10.9773 k = 0.5886-0.2278-1.1234 ( 3984 PWs) bands (ev): -42.5118 -42.5118 -21.4626 -21.4626 -20.9659 -20.9659 -20.9421 -20.9421 -19.7051 -19.7051 -5.0326 -5.0326 -4.6040 -4.6040 -4.2580 -4.2580 -3.7276 -3.7276 -3.4758 -3.4758 3.1308 3.1308 3.9242 3.9242 4.4229 4.4229 4.8787 4.8787 5.0477 5.0477 5.2694 5.2694 8.8146 8.8146 9.8446 9.8446 9.8932 9.8932 10.9739 10.9739 k = 0.5827-0.2042-1.1234 ( 3986 PWs) bands (ev): -42.5118 -42.5118 -21.4625 -21.4625 -20.9665 -20.9665 -20.9411 -20.9411 -19.7057 -19.7057 -5.0414 -5.0414 -4.5977 -4.5977 -4.2626 -4.2626 -3.7263 -3.7263 -3.4683 -3.4683 3.0965 3.0965 3.9240 3.9240 4.4741 4.4741 4.8816 4.8816 5.0615 5.0615 5.2930 5.2930 8.7600 8.7600 9.8583 9.8583 9.8957 9.8957 10.9723 10.9723 k = 0.5768-0.1807-1.1234 ( 3990 PWs) bands (ev): -42.5119 -42.5119 -21.4624 -21.4624 -20.9670 -20.9670 -20.9401 -20.9401 -19.7064 -19.7064 -5.0499 -5.0499 -4.5920 -4.5920 -4.2670 -4.2670 -3.7248 -3.7248 -3.4610 -3.4610 3.0642 3.0642 3.9238 3.9238 4.5194 4.5194 4.8848 4.8848 5.0806 5.0806 5.3163 5.3163 8.7049 8.7049 9.8715 9.8715 9.8984 9.8984 10.9725 10.9725 k = 0.5709-0.1571-1.1234 ( 3980 PWs) bands (ev): -42.5119 -42.5119 -21.4623 -21.4623 -20.9675 -20.9675 -20.9392 -20.9392 -19.7070 -19.7070 -5.0580 -5.0580 -4.5869 -4.5869 -4.2712 -4.2712 -3.7231 -3.7231 -3.4539 -3.4539 3.0340 3.0340 3.9235 3.9235 4.5580 4.5580 4.8883 4.8883 5.1053 5.1053 5.3391 5.3391 8.6500 8.6500 9.8831 9.8831 9.9021 9.9021 10.9746 10.9746 k = 0.5650-0.1336-1.1234 ( 3982 PWs) bands (ev): -42.5119 -42.5119 -21.4622 -21.4622 -20.9679 -20.9679 -20.9383 -20.9383 -19.7076 -19.7076 -5.0656 -5.0656 -4.5823 -4.5823 -4.2752 -4.2752 -3.7211 -3.7211 -3.4471 -3.4471 3.0059 3.0059 3.9231 3.9231 4.5896 4.5896 4.8919 4.8919 5.1356 5.1356 5.3611 5.3611 8.5959 8.5959 9.8917 9.8917 9.9082 9.9082 10.9783 10.9783 k = 0.5591-0.1100-1.1234 ( 3986 PWs) bands (ev): -42.5120 -42.5120 -21.4621 -21.4621 -20.9683 -20.9683 -20.9375 -20.9375 -19.7081 -19.7081 -5.0727 -5.0727 -4.5783 -4.5783 -4.2788 -4.2788 -3.7191 -3.7191 -3.4407 -3.4407 2.9800 2.9800 3.9226 3.9226 4.6144 4.6144 4.8955 4.8955 5.1705 5.1705 5.3821 5.3821 8.5431 8.5431 9.8966 9.8966 9.9171 9.9171 10.9836 10.9836 k = 0.5532-0.0865-1.1234 ( 3986 PWs) bands (ev): -42.5120 -42.5120 -21.4620 -21.4620 -20.9687 -20.9687 -20.9367 -20.9367 -19.7087 -19.7087 -5.0793 -5.0793 -4.5748 -4.5748 -4.2821 -4.2821 -3.7170 -3.7170 -3.4347 -3.4347 2.9563 2.9563 3.9220 3.9220 4.6332 4.6332 4.8991 4.8991 5.2087 5.2087 5.4019 5.4019 8.4923 8.4923 9.8997 9.8997 9.9268 9.9268 10.9903 10.9903 k = 0.5473-0.0629-1.1234 ( 3980 PWs) bands (ev): -42.5120 -42.5120 -21.4619 -21.4619 -20.9691 -20.9691 -20.9360 -20.9360 -19.7092 -19.7092 -5.0853 -5.0853 -4.5719 -4.5719 -4.2851 -4.2851 -3.7149 -3.7149 -3.4292 -3.4292 2.9350 2.9350 3.9215 3.9215 4.6471 4.6471 4.9026 4.9026 5.2483 5.2483 5.4205 5.4205 8.4443 8.4443 9.9020 9.9020 9.9363 9.9363 10.9981 10.9981 k = 0.5414-0.0394-1.1234 ( 3976 PWs) bands (ev): -42.5121 -42.5121 -21.4618 -21.4618 -20.9694 -20.9694 -20.9354 -20.9354 -19.7096 -19.7096 -5.0906 -5.0906 -4.5694 -4.5694 -4.2878 -4.2878 -3.7129 -3.7129 -3.4242 -3.4242 2.9161 2.9161 3.9210 3.9210 4.6571 4.6571 4.9060 4.9060 5.2876 5.2876 5.4377 5.4377 8.3995 8.3995 9.9041 9.9041 9.9449 9.9449 11.0066 11.0066 k = 0.5354-0.0158-1.1234 ( 3978 PWs) bands (ev): -42.5121 -42.5121 -21.4618 -21.4618 -20.9696 -20.9696 -20.9348 -20.9348 -19.7100 -19.7100 -5.0953 -5.0953 -4.5674 -4.5674 -4.2901 -4.2901 -3.7110 -3.7110 -3.4198 -3.4198 2.8995 2.8995 3.9204 3.9204 4.6641 4.6641 4.9091 4.9091 5.3247 5.3247 5.4535 5.4535 8.3588 8.3588 9.9059 9.9059 9.9524 9.9524 11.0154 11.0154 k = 0.5295 0.0077-1.1234 ( 3978 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9699 -20.9699 -20.9343 -20.9343 -19.7104 -19.7104 -5.0993 -5.0993 -4.5658 -4.5658 -4.2920 -4.2920 -3.7093 -3.7093 -3.4159 -3.4159 2.8855 2.8855 3.9200 3.9200 4.6690 4.6690 4.9119 4.9119 5.3579 5.3579 5.4680 5.4680 8.3228 8.3228 9.9075 9.9075 9.9588 9.9588 11.0241 11.0241 k = 0.5236 0.0313-1.1234 ( 3978 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9701 -20.9701 -20.9340 -20.9340 -19.7106 -19.7106 -5.1026 -5.1026 -4.5645 -4.5645 -4.2936 -4.2936 -3.7078 -3.7078 -3.4128 -3.4128 2.8739 2.8739 3.9196 3.9196 4.6722 4.6722 4.9142 4.9142 5.3859 5.3859 5.4812 5.4812 8.2922 8.2922 9.9090 9.9090 9.9641 9.9641 11.0322 11.0322 k = 0.5177 0.0548-1.1234 ( 3978 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9702 -20.9702 -20.9336 -20.9336 -19.7109 -19.7109 -5.1052 -5.1052 -4.5635 -4.5635 -4.2948 -4.2948 -3.7067 -3.7067 -3.4103 -3.4103 2.8649 2.8649 3.9192 3.9192 4.6744 4.6744 4.9162 4.9162 5.4076 5.4076 5.4927 5.4927 8.2676 8.2676 9.9101 9.9101 9.9682 9.9682 11.0392 11.0392 k = 0.5118 0.0783-1.1234 ( 3982 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9703 -20.9703 -20.9334 -20.9334 -19.7110 -19.7110 -5.1071 -5.1071 -4.5629 -4.5629 -4.2957 -4.2957 -3.7058 -3.7058 -3.4085 -3.4085 2.8585 2.8585 3.9190 3.9190 4.6756 4.6756 4.9176 4.9176 5.4229 5.4229 5.5019 5.5019 8.2497 8.2497 9.9110 9.9110 9.9712 9.9712 11.0349 11.0349 k = 0.5059 0.1019-1.1234 ( 3982 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7111 -19.7111 -5.1082 -5.1082 -4.5625 -4.5625 -4.2962 -4.2962 -3.7053 -3.7053 -3.4074 -3.4074 2.8546 2.8546 3.9188 3.9188 4.6763 4.6763 4.9184 4.9184 5.4317 5.4317 5.5081 5.5081 8.2387 8.2387 9.9115 9.9115 9.9729 9.9729 11.0275 11.0275 k = 0.5000 0.1254-1.1234 ( 3986 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1085 -5.1085 -4.5624 -4.5624 -4.2964 -4.2964 -3.7051 -3.7051 -3.4070 -3.4070 2.8533 2.8533 3.9188 3.9188 4.6766 4.6766 4.9187 4.9187 5.4346 5.4346 5.5102 5.5102 8.2350 8.2350 9.9117 9.9117 9.9735 9.9735 11.0250 11.0250 k = 0.5000 0.1254-1.1234 ( 3986 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1085 -5.1085 -4.5624 -4.5624 -4.2964 -4.2964 -3.7051 -3.7051 -3.4070 -3.4070 2.8533 2.8533 3.9188 3.9188 4.6766 4.6766 4.9187 4.9187 5.4346 5.4346 5.5102 5.5102 8.2350 8.2350 9.9117 9.9117 9.9735 9.9735 11.0250 11.0250 k = 0.5199 0.1305-1.1140 ( 3986 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1085 -5.1085 -4.5626 -4.5626 -4.2963 -4.2963 -3.7050 -3.7050 -3.4070 -3.4070 2.8543 2.8543 3.9170 3.9170 4.6779 4.6779 4.9189 4.9189 5.4342 5.4342 5.5096 5.5096 8.2361 8.2361 9.9117 9.9117 9.9736 9.9736 11.0232 11.0232 k = 0.5399 0.1355-1.1046 ( 3982 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1085 -5.1085 -4.5633 -4.5633 -4.2958 -4.2958 -3.7048 -3.7048 -3.4071 -3.4071 2.8572 2.8572 3.9116 3.9116 4.6818 4.6818 4.9195 4.9195 5.4330 5.4330 5.5076 5.5076 8.2394 8.2394 9.9117 9.9117 9.9738 9.9738 11.0180 11.0180 k = 0.5598 0.1405-1.0951 ( 3984 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1084 -5.1084 -4.5644 -4.5644 -4.2950 -4.2950 -3.7045 -3.7045 -3.4073 -3.4073 2.8621 2.8621 3.9028 3.9028 4.6881 4.6881 4.9205 4.9205 5.4309 5.4309 5.5045 5.5045 8.2449 8.2449 9.9116 9.9116 9.9741 9.9741 11.0093 11.0093 k = 0.5798 0.1455-1.0857 ( 3984 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9332 -20.9332 -19.7113 -19.7113 -5.1083 -5.1083 -4.5659 -4.5659 -4.2940 -4.2940 -3.7040 -3.7040 -3.4075 -3.4075 2.8689 2.8689 3.8909 3.8909 4.6964 4.6964 4.9219 4.9219 5.4279 5.4279 5.5004 5.5004 8.2523 8.2523 9.9116 9.9116 9.9745 9.9745 10.9973 10.9973 k = 0.5997 0.1505-1.0763 ( 3984 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9703 -20.9703 -20.9332 -20.9332 -19.7113 -19.7113 -5.1082 -5.1082 -4.5677 -4.5677 -4.2928 -4.2928 -3.7034 -3.7034 -3.4077 -3.4077 2.8776 2.8776 3.8765 3.8765 4.7062 4.7062 4.9237 4.9237 5.4241 5.4241 5.4954 5.4954 8.2618 8.2618 9.9115 9.9115 9.9751 9.9751 10.9823 10.9823 k = 0.6196 0.1555-1.0668 ( 3986 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9703 -20.9703 -20.9332 -20.9332 -19.7114 -19.7114 -5.1082 -5.1082 -4.5698 -4.5698 -4.2913 -4.2913 -3.7027 -3.7027 -3.4080 -3.4080 2.8881 2.8881 3.8598 3.8598 4.7172 4.7172 4.9257 4.9257 5.4194 5.4194 5.4897 5.4897 8.2731 8.2731 9.9114 9.9114 9.9756 9.9756 10.9644 10.9644 k = 0.6396 0.1605-1.0574 ( 3986 PWs) bands (ev): -42.5122 -42.5122 -21.4615 -21.4615 -20.9703 -20.9703 -20.9332 -20.9332 -19.7115 -19.7115 -5.1081 -5.1081 -4.5720 -4.5720 -4.2898 -4.2898 -3.7020 -3.7020 -3.4084 -3.4084 2.9003 2.9003 3.8415 3.8415 4.7288 4.7288 4.9282 4.9282 5.4138 5.4138 5.4835 5.4835 8.2861 8.2861 9.9113 9.9113 9.9762 9.9762 10.9440 10.9440 k = 0.6595 0.1655-1.0480 ( 3986 PWs) bands (ev): -42.5122 -42.5122 -21.4615 -21.4615 -20.9702 -20.9702 -20.9332 -20.9332 -19.7116 -19.7116 -5.1080 -5.1080 -4.5743 -4.5743 -4.2882 -4.2882 -3.7012 -3.7012 -3.4087 -3.4087 2.9141 2.9141 3.8219 3.8219 4.7405 4.7405 4.9310 4.9310 5.4075 5.4075 5.4771 5.4771 8.3007 8.3007 9.9111 9.9111 9.9767 9.9767 10.9214 10.9214 k = 0.6595 0.1655-1.0480 ( 3986 PWs) bands (ev): -42.5122 -42.5122 -21.4615 -21.4615 -20.9702 -20.9702 -20.9332 -20.9332 -19.7116 -19.7116 -5.1080 -5.1080 -4.5743 -4.5743 -4.2882 -4.2882 -3.7012 -3.7012 -3.4087 -3.4087 2.9141 2.9141 3.8219 3.8219 4.7405 4.7405 4.9310 4.9310 5.4075 5.4075 5.4771 5.4771 8.3007 8.3007 9.9111 9.9111 9.9767 9.9767 10.9214 10.9214 k = 0.6561 0.1646-1.0235 ( 3990 PWs) bands (ev): -42.5122 -42.5122 -21.4614 -21.4614 -20.9700 -20.9700 -20.9332 -20.9332 -19.7121 -19.7121 -5.1035 -5.1035 -4.5925 -4.5925 -4.2811 -4.2811 -3.6979 -3.6979 -3.4052 -3.4052 2.9232 2.9232 3.8162 3.8162 4.7298 4.7298 4.9282 4.9282 5.4247 5.4247 5.4937 5.4937 8.2972 8.2972 9.9084 9.9084 9.9775 9.9775 10.9227 10.9227 k = 0.6526 0.1637-0.9991 ( 3982 PWs) bands (ev): -42.5122 -42.5122 -21.4612 -21.4612 -20.9697 -20.9697 -20.9331 -20.9331 -19.7128 -19.7128 -5.0985 -5.0985 -4.6131 -4.6131 -4.2733 -4.2733 -3.6941 -3.6941 -3.4013 -3.4013 2.9368 2.9368 3.8107 3.8107 4.7196 4.7196 4.9256 4.9256 5.4400 5.4400 5.5137 5.5137 8.2956 8.2956 9.9050 9.9050 9.9779 9.9779 10.9231 10.9231 k = 0.6491 0.1629-0.9747 ( 3987 PWs) bands (ev): -42.5123 -42.5123 -21.4609 -21.4609 -20.9693 -20.9693 -20.9330 -20.9330 -19.7137 -19.7137 -5.0931 -5.0931 -4.6357 -4.6357 -4.2649 -4.2649 -3.6896 -3.6896 -3.3973 -3.3973 2.9546 2.9546 3.8056 3.8056 4.7101 4.7101 4.9232 4.9232 5.4538 5.4538 5.5365 5.5365 8.2960 8.2960 9.9010 9.9010 9.9779 9.9779 10.9219 10.9219 k = 0.6457 0.1620-0.9503 ( 3981 PWs) bands (ev): -42.5124 -42.5124 -21.4606 -21.4606 -20.9688 -20.9688 -20.9328 -20.9328 -19.7148 -19.7148 -5.0873 -5.0873 -4.6597 -4.6597 -4.2563 -4.2563 -3.6846 -3.6846 -3.3931 -3.3931 2.9766 2.9766 3.8008 3.8008 4.7013 4.7013 4.9211 4.9211 5.4668 5.4668 5.5612 5.5612 8.2985 8.2985 9.8964 9.8964 9.9773 9.9773 10.9184 10.9184 k = 0.6422 0.1611-0.9258 ( 3981 PWs) bands (ev): -42.5124 -42.5124 -21.4602 -21.4602 -20.9683 -20.9683 -20.9327 -20.9327 -19.7161 -19.7161 -5.0815 -5.0815 -4.6849 -4.6849 -4.2478 -4.2478 -3.6789 -3.6789 -3.3888 -3.3888 3.0024 3.0024 3.7964 3.7964 4.6936 4.6936 4.9191 4.9191 5.4797 5.4797 5.5872 5.5872 8.3030 8.3030 9.8912 9.8912 9.9759 9.9759 10.9119 10.9119 k = 0.6387 0.1602-0.9014 ( 3972 PWs) bands (ev): -42.5125 -42.5125 -21.4598 -21.4598 -20.9676 -20.9676 -20.9325 -20.9325 -19.7176 -19.7176 -5.0757 -5.0757 -4.7106 -4.7106 -4.2394 -4.2394 -3.6727 -3.6727 -3.3844 -3.3844 3.0320 3.0320 3.7925 3.7925 4.6871 4.6871 4.9173 4.9173 5.4929 5.4929 5.6140 5.6140 8.3095 8.3095 9.8853 9.8853 9.9738 9.9738 10.9017 10.9017 k = 0.6352 0.1594-0.8770 ( 3975 PWs) bands (ev): -42.5126 -42.5126 -21.4593 -21.4593 -20.9669 -20.9669 -20.9322 -20.9322 -19.7193 -19.7193 -5.0704 -5.0704 -4.7362 -4.7362 -4.2313 -4.2313 -3.6660 -3.6660 -3.3800 -3.3800 3.0649 3.0649 3.7891 3.7891 4.6819 4.6819 4.9156 4.9156 5.5066 5.5066 5.6413 5.6413 8.3180 8.3180 9.8789 9.8789 9.9706 9.9706 10.8872 10.8872 k = 0.6318 0.1585-0.8526 ( 3975 PWs) bands (ev): -42.5127 -42.5127 -21.4588 -21.4588 -20.9662 -20.9662 -20.9320 -20.9320 -19.7211 -19.7211 -5.0659 -5.0659 -4.7613 -4.7613 -4.2236 -4.2236 -3.6587 -3.6587 -3.3756 -3.3756 3.1010 3.1010 3.7863 3.7863 4.6781 4.6781 4.9140 4.9140 5.5210 5.5210 5.6689 5.6689 8.3283 8.3283 9.8717 9.8717 9.9665 9.9665 10.8681 10.8681 k = 0.6283 0.1576-0.8282 ( 3979 PWs) bands (ev): -42.5128 -42.5128 -21.4582 -21.4582 -20.9654 -20.9654 -20.9317 -20.9317 -19.7231 -19.7231 -5.0631 -5.0631 -4.7849 -4.7849 -4.2163 -4.2163 -3.6509 -3.6509 -3.3712 -3.3712 3.1399 3.1399 3.7842 3.7842 4.6760 4.6760 4.9124 4.9124 5.5362 5.5362 5.6966 5.6966 8.3406 8.3406 9.8637 9.8637 9.9614 9.9614 10.8443 10.8443 k = 0.6248 0.1568-0.8037 ( 3981 PWs) bands (ev): -42.5130 -42.5130 -21.4576 -21.4576 -20.9646 -20.9646 -20.9314 -20.9314 -19.7252 -19.7252 -5.0627 -5.0627 -4.8060 -4.8060 -4.2095 -4.2095 -3.6427 -3.6427 -3.3668 -3.3668 3.1813 3.1813 3.7828 3.7828 4.6759 4.6759 4.9108 4.9108 5.5522 5.5522 5.7242 5.7242 8.3546 8.3546 9.8550 9.8550 9.9552 9.9552 10.8159 10.8159 k = 0.6214 0.1559-0.7793 ( 3985 PWs) bands (ev): -42.5131 -42.5131 -21.4570 -21.4570 -20.9637 -20.9637 -20.9310 -20.9310 -19.7275 -19.7275 -5.0659 -5.0659 -4.8234 -4.8234 -4.2032 -4.2032 -3.6340 -3.6340 -3.3625 -3.3625 3.2248 3.2248 3.7820 3.7820 4.6780 4.6780 4.9092 4.9092 5.5693 5.5693 5.7516 5.7516 8.3704 8.3704 9.8453 9.8453 9.9480 9.9480 10.7833 10.7833 k = 0.6179 0.1550-0.7549 ( 3994 PWs) bands (ev): -42.5132 -42.5132 -21.4563 -21.4563 -20.9628 -20.9628 -20.9306 -20.9306 -19.7299 -19.7299 -5.0735 -5.0735 -4.8362 -4.8362 -4.1973 -4.1973 -3.6248 -3.6248 -3.3583 -3.3583 3.2700 3.2700 3.7820 3.7820 4.6826 4.6826 4.9074 4.9074 5.5874 5.5874 5.7786 5.7786 8.3879 8.3879 9.8347 9.8347 9.9399 9.9399 10.7472 10.7472 k = 0.6144 0.1542-0.7305 ( 3993 PWs) bands (ev): -42.5134 -42.5134 -21.4556 -21.4556 -20.9618 -20.9618 -20.9301 -20.9301 -19.7325 -19.7325 -5.0863 -5.0863 -4.8437 -4.8437 -4.1920 -4.1920 -3.6153 -3.6153 -3.3541 -3.3541 3.3165 3.3165 3.7828 3.7828 4.6902 4.6902 4.9054 4.9054 5.6065 5.6065 5.8049 5.8049 8.4069 8.4069 9.8229 9.8229 9.9309 9.9309 10.7082 10.7082 k = 0.6110 0.1533-0.7060 ( 3993 PWs) bands (ev): -42.5135 -42.5135 -21.4549 -21.4549 -20.9608 -20.9608 -20.9296 -20.9296 -19.7351 -19.7351 -5.1039 -5.1039 -4.8459 -4.8459 -4.1871 -4.1871 -3.6053 -3.6053 -3.3501 -3.3501 3.3638 3.3638 3.7842 3.7842 4.7010 4.7010 4.9033 4.9033 5.6268 5.6268 5.8303 5.8303 8.4275 8.4275 9.8100 9.8100 9.9211 9.9211 10.6671 10.6671 k = 0.6075 0.1524-0.6816 ( 3993 PWs) bands (ev): -42.5137 -42.5137 -21.4541 -21.4541 -20.9599 -20.9599 -20.9290 -20.9290 -19.7378 -19.7378 -5.1258 -5.1258 -4.8435 -4.8435 -4.1827 -4.1827 -3.5950 -3.5950 -3.3461 -3.3461 3.4114 3.4114 3.7864 3.7864 4.7155 4.7155 4.9011 4.9011 5.6481 5.6481 5.8545 5.8545 8.4494 8.4494 9.7957 9.7957 9.9106 9.9106 10.6248 10.6248 k = 0.6040 0.1515-0.6572 ( 3993 PWs) bands (ev): -42.5138 -42.5138 -21.4534 -21.4534 -20.9589 -20.9589 -20.9283 -20.9283 -19.7407 -19.7407 -5.1509 -5.1509 -4.8375 -4.8375 -4.1787 -4.1787 -3.5843 -3.5843 -3.3423 -3.3423 3.4588 3.4588 3.7892 3.7892 4.7342 4.7342 4.8986 4.8986 5.6705 5.6705 5.8773 5.8773 8.4726 8.4726 9.7800 9.7800 9.8996 9.8996 10.5820 10.5820 k = 0.6006 0.1507-0.6328 ( 3998 PWs) bands (ev): -42.5140 -42.5140 -21.4526 -21.4526 -20.9579 -20.9579 -20.9276 -20.9276 -19.7436 -19.7436 -5.1783 -5.1783 -4.8287 -4.8287 -4.1751 -4.1751 -3.5734 -3.5734 -3.3386 -3.3386 3.5055 3.5055 3.7927 3.7927 4.7574 4.7574 4.8959 4.8959 5.6940 5.6940 5.8983 5.8983 8.4969 8.4969 9.7627 9.7627 9.8882 9.8882 10.5395 10.5395 k = 0.5971 0.1498-0.6084 ( 4000 PWs) bands (ev): -42.5142 -42.5142 -21.4518 -21.4518 -20.9570 -20.9570 -20.9269 -20.9269 -19.7465 -19.7465 -5.2073 -5.2073 -4.8179 -4.8179 -4.1719 -4.1719 -3.5621 -3.5621 -3.3351 -3.3351 3.5509 3.5509 3.7971 3.7971 4.7855 4.7855 4.8931 4.8931 5.7185 5.7185 5.9171 5.9171 8.5222 8.5222 9.7437 9.7437 9.8766 9.8766 10.4978 10.4978 k = 0.5936 0.1489-0.5839 ( 3997 PWs) bands (ev): -42.5144 -42.5144 -21.4510 -21.4510 -20.9561 -20.9561 -20.9260 -20.9260 -19.7495 -19.7495 -5.2372 -5.2372 -4.8057 -4.8057 -4.1690 -4.1690 -3.5506 -3.5506 -3.3317 -3.3317 3.5942 3.5942 3.8026 3.8026 4.8183 4.8183 4.8906 4.8906 5.7441 5.7441 5.9335 5.9335 8.5485 8.5485 9.7229 9.7229 9.8649 9.8649 10.4577 10.4577 k = 0.5902 0.1481-0.5595 ( 4000 PWs) bands (ev): -42.5145 -42.5145 -21.4502 -21.4502 -20.9552 -20.9552 -20.9251 -20.9251 -19.7526 -19.7526 -5.2677 -5.2677 -4.7924 -4.7924 -4.1665 -4.1665 -3.5388 -3.5388 -3.3284 -3.3284 3.6344 3.6344 3.8101 3.8101 4.8544 4.8544 4.8900 4.8900 5.7706 5.7706 5.9471 5.9471 8.5756 8.5756 9.7003 9.7003 9.8534 9.8534 10.4197 10.4197 k = 0.5867 0.1472-0.5351 ( 3992 PWs) bands (ev): -42.5147 -42.5147 -21.4494 -21.4494 -20.9543 -20.9543 -20.9242 -20.9242 -19.7556 -19.7556 -5.2983 -5.2983 -4.7784 -4.7784 -4.1642 -4.1642 -3.5269 -3.5269 -3.3253 -3.3253 3.6700 3.6700 3.8209 3.8209 4.8751 4.8751 4.9100 4.9100 5.7978 5.7978 5.9577 5.9577 8.6033 8.6033 9.6759 9.6759 9.8421 9.8421 10.3844 10.3844 k = 0.5832 0.1463-0.5107 ( 3984 PWs) bands (ev): -42.5149 -42.5149 -21.4485 -21.4485 -20.9535 -20.9535 -20.9231 -20.9231 -19.7587 -19.7587 -5.3288 -5.3288 -4.7639 -4.7639 -4.1622 -4.1622 -3.5147 -3.5147 -3.3223 -3.3223 3.6989 3.6989 3.8369 3.8369 4.8746 4.8746 4.9566 4.9566 5.8258 5.8258 5.9650 5.9650 8.6314 8.6314 9.6497 9.6497 9.8312 9.8312 10.3521 10.3521 k = 0.5798 0.1455-0.4862 ( 3989 PWs) bands (ev): -42.5151 -42.5151 -21.4477 -21.4477 -20.9528 -20.9528 -20.9221 -20.9221 -19.7618 -19.7618 -5.3591 -5.3591 -4.7492 -4.7492 -4.1605 -4.1605 -3.5025 -3.5025 -3.3195 -3.3195 3.7195 3.7195 3.8597 3.8597 4.8711 4.8711 5.0110 5.0110 5.8541 5.8541 5.9691 5.9691 8.6598 8.6598 9.6216 9.6216 9.8207 9.8207 10.3235 10.3235 k = 0.5763 0.1446-0.4618 ( 3985 PWs) bands (ev): -42.5152 -42.5152 -21.4469 -21.4469 -20.9521 -20.9521 -20.9209 -20.9209 -19.7648 -19.7648 -5.3890 -5.3890 -4.7344 -4.7344 -4.1589 -4.1589 -3.4901 -3.4901 -3.3169 -3.3169 3.7323 3.7323 3.8891 3.8891 4.8670 4.8670 5.0708 5.0708 5.8822 5.8822 5.9702 5.9702 8.6883 8.6883 9.5919 9.5919 9.8105 9.8105 10.2990 10.2990 k = 0.5728 0.1437-0.4374 ( 3987 PWs) bands (ev): -42.5154 -42.5154 -21.4462 -21.4462 -20.9514 -20.9514 -20.9198 -20.9198 -19.7679 -19.7679 -5.4182 -5.4182 -4.7196 -4.7196 -4.1575 -4.1575 -3.4777 -3.4777 -3.3144 -3.3144 3.7390 3.7390 3.9234 3.9234 4.8625 4.8625 5.1353 5.1353 5.9080 5.9080 5.9700 5.9700 8.7167 8.7167 9.5606 9.5606 9.8004 9.8004 10.2793 10.2793 k = 0.5694 0.1428-0.4130 ( 3983 PWs) bands (ev): -42.5156 -42.5156 -21.4454 -21.4454 -20.9508 -20.9508 -20.9186 -20.9186 -19.7708 -19.7708 -5.4467 -5.4467 -4.7050 -4.7050 -4.1563 -4.1563 -3.4654 -3.4654 -3.3120 -3.3120 3.7418 3.7418 3.9609 3.9609 4.8579 4.8579 5.2039 5.2039 5.9247 5.9247 5.9752 5.9752 8.7447 8.7447 9.5278 9.5278 9.7900 9.7900 10.2650 10.2650 k = 0.5659 0.1420-0.3886 ( 3976 PWs) bands (ev): -42.5158 -42.5158 -21.4446 -21.4446 -20.9502 -20.9502 -20.9174 -20.9174 -19.7738 -19.7738 -5.4744 -5.4744 -4.6906 -4.6906 -4.1552 -4.1552 -3.4530 -3.4530 -3.3099 -3.3099 3.7419 3.7419 4.0005 4.0005 4.8531 4.8531 5.2758 5.2758 5.9236 5.9236 5.9944 5.9944 8.7721 8.7721 9.4939 9.4939 9.7788 9.7788 10.2568 10.2568 k = 0.5624 0.1411-0.3641 ( 3984 PWs) bands (ev): -42.5159 -42.5159 -21.4439 -21.4439 -20.9497 -20.9497 -20.9161 -20.9161 -19.7766 -19.7766 -5.5011 -5.5011 -4.6767 -4.6767 -4.1542 -4.1542 -3.4408 -3.4408 -3.3078 -3.3078 3.7402 3.7402 4.0415 4.0415 4.8483 4.8483 5.3506 5.3506 5.9102 5.9102 6.0219 6.0219 8.7987 8.7987 9.4590 9.4590 9.7662 9.7662 10.2552 10.2552 k = 0.5590 0.1402-0.3397 ( 3980 PWs) bands (ev): -42.5161 -42.5161 -21.4432 -21.4432 -20.9492 -20.9492 -20.9149 -20.9149 -19.7794 -19.7794 -5.5268 -5.5268 -4.6632 -4.6632 -4.1533 -4.1533 -3.4287 -3.4287 -3.3059 -3.3059 3.7373 3.7373 4.0839 4.0839 4.8434 4.8434 5.4274 5.4274 5.8903 5.8903 6.0520 6.0520 8.8243 8.8243 9.4233 9.4233 9.7520 9.7520 10.2606 10.2606 k = 0.5555 0.1394-0.3153 ( 3981 PWs) bands (ev): -42.5163 -42.5163 -21.4425 -21.4425 -20.9488 -20.9488 -20.9137 -20.9137 -19.7821 -19.7821 -5.5515 -5.5515 -4.6501 -4.6501 -4.1526 -4.1526 -3.4168 -3.4168 -3.3042 -3.3042 3.7335 3.7335 4.1273 4.1273 4.8386 4.8386 5.5054 5.5054 5.8658 5.8658 6.0829 6.0829 8.8487 8.8487 9.3872 9.3872 9.7356 9.7356 10.2731 10.2731 k = 0.5520 0.1385-0.2909 ( 3978 PWs) bands (ev): -42.5164 -42.5164 -21.4419 -21.4419 -20.9484 -20.9484 -20.9125 -20.9125 -19.7847 -19.7847 -5.5749 -5.5749 -4.6377 -4.6377 -4.1518 -4.1518 -3.4052 -3.4052 -3.3026 -3.3026 3.7291 3.7291 4.1717 4.1717 4.8338 4.8338 5.5837 5.5837 5.8378 5.8378 6.1140 6.1140 8.8717 8.8717 9.3510 9.3510 9.7172 9.7172 10.2922 10.2922 k = 0.5486 0.1376-0.2664 ( 3978 PWs) bands (ev): -42.5166 -42.5166 -21.4413 -21.4413 -20.9480 -20.9480 -20.9113 -20.9113 -19.7872 -19.7872 -5.5972 -5.5972 -4.6259 -4.6259 -4.1512 -4.1512 -3.3940 -3.3940 -3.3011 -3.3011 3.7243 3.7243 4.2171 4.2171 4.8292 4.8292 5.6595 5.6595 5.8086 5.8086 6.1450 6.1450 8.8932 8.8932 9.3149 9.3149 9.6968 9.6968 10.3172 10.3172 k = 0.5451 0.1368-0.2420 ( 3970 PWs) bands (ev): -42.5167 -42.5167 -21.4407 -21.4407 -20.9477 -20.9477 -20.9101 -20.9101 -19.7895 -19.7895 -5.6181 -5.6181 -4.6148 -4.6148 -4.1506 -4.1506 -3.3832 -3.3832 -3.2997 -3.2997 3.7192 3.7192 4.2635 4.2635 4.8247 4.8247 5.7182 5.7182 5.7929 5.7929 6.1755 6.1755 8.9129 8.9129 9.2793 9.2793 9.6748 9.6748 10.3464 10.3464 k = 0.5416 0.1359-0.2176 ( 3973 PWs) bands (ev): -42.5168 -42.5168 -21.4401 -21.4401 -20.9474 -20.9474 -20.9090 -20.9090 -19.7917 -19.7917 -5.6377 -5.6377 -4.6044 -4.6044 -4.1500 -4.1500 -3.3728 -3.3728 -3.2984 -3.2984 3.7141 3.7141 4.3106 4.3106 4.8203 4.8203 5.7106 5.7106 5.8392 5.8392 6.2052 6.2052 8.9308 8.9308 9.2444 9.2444 9.6515 9.6515 10.3774 10.3774 k = 0.5381 0.1350-0.1932 ( 3976 PWs) bands (ev): -42.5169 -42.5169 -21.4396 -21.4396 -20.9471 -20.9471 -20.9080 -20.9080 -19.7938 -19.7938 -5.6559 -5.6559 -4.5948 -4.5948 -4.1495 -4.1495 -3.3630 -3.3630 -3.2973 -3.2973 3.7090 3.7090 4.3586 4.3586 4.8162 4.8162 5.6739 5.6739 5.9101 5.9101 6.2340 6.2340 8.9468 8.9468 9.2107 9.2107 9.6277 9.6277 10.4065 10.4065 k = 0.5347 0.1341-0.1688 ( 3977 PWs) bands (ev): -42.5171 -42.5171 -21.4392 -21.4392 -20.9469 -20.9469 -20.9070 -20.9070 -19.7957 -19.7957 -5.6727 -5.6727 -4.5859 -4.5859 -4.1490 -4.1490 -3.3537 -3.3537 -3.2962 -3.2962 3.7041 3.7041 4.4071 4.4071 4.8123 4.8123 5.6312 5.6312 5.9822 5.9822 6.2616 6.2616 8.9608 8.9608 9.1785 9.1785 9.6038 9.6038 10.4283 10.4283 k = 0.5312 0.1333-0.1443 ( 3975 PWs) bands (ev): -42.5172 -42.5172 -21.4388 -21.4388 -20.9467 -20.9467 -20.9061 -20.9061 -19.7975 -19.7975 -5.6880 -5.6880 -4.5778 -4.5778 -4.1486 -4.1486 -3.3452 -3.3452 -3.2953 -3.2953 3.6993 3.6993 4.4560 4.4560 4.8088 4.8088 5.5860 5.5860 6.0517 6.0517 6.2878 6.2878 8.9726 8.9726 9.1480 9.1480 9.5804 9.5804 10.4376 10.4376 k = 0.5277 0.1324-0.1199 ( 3977 PWs) bands (ev): -42.5173 -42.5173 -21.4384 -21.4384 -20.9465 -20.9465 -20.9053 -20.9053 -19.7991 -19.7991 -5.7017 -5.7017 -4.5706 -4.5706 -4.1482 -4.1482 -3.3374 -3.3374 -3.2944 -3.2944 3.6949 3.6949 4.5049 4.5049 4.8056 4.8056 5.5391 5.5391 6.1171 6.1171 6.3125 6.3125 8.9823 8.9823 9.1196 9.1196 9.5582 9.5582 10.4326 10.4326 k = 0.5243 0.1315-0.0955 ( 3987 PWs) bands (ev): -42.5173 -42.5173 -21.4381 -21.4381 -20.9464 -20.9464 -20.9045 -20.9045 -19.8005 -19.8005 -5.7140 -5.7140 -4.5642 -4.5642 -4.1479 -4.1479 -3.3304 -3.3304 -3.2936 -3.2936 3.6909 3.6909 4.5535 4.5535 4.8027 4.8027 5.4916 5.4916 6.1773 6.1773 6.3355 6.3355 8.9899 8.9899 9.0937 9.0937 9.5377 9.5377 10.4164 10.4164 k = 0.5208 0.1307-0.0711 ( 3987 PWs) bands (ev): -42.5174 -42.5174 -21.4378 -21.4378 -20.9462 -20.9462 -20.9039 -20.9039 -19.8018 -19.8018 -5.7246 -5.7246 -4.5586 -4.5586 -4.1476 -4.1476 -3.3242 -3.3242 -3.2929 -3.2929 3.6873 3.6873 4.6012 4.6012 4.8004 4.8004 5.4442 5.4442 6.2311 6.2311 6.3568 6.3568 8.9954 8.9954 9.0705 9.0705 9.5194 9.5194 10.3944 10.3944 k = 0.5173 0.1298-0.0466 ( 3990 PWs) bands (ev): -42.5175 -42.5175 -21.4375 -21.4375 -20.9461 -20.9461 -20.9033 -20.9033 -19.8028 -19.8028 -5.7337 -5.7337 -4.5539 -4.5539 -4.1473 -4.1473 -3.3189 -3.3189 -3.2923 -3.2923 3.6842 3.6842 4.6470 4.6470 4.7986 4.7986 5.3980 5.3980 6.2774 6.2774 6.3764 6.3764 8.9991 8.9991 9.0504 9.0504 9.5037 9.5037 10.3711 10.3711 k = 0.5139 0.1289-0.0222 ( 3986 PWs) bands (ev): -42.5175 -42.5175 -21.4373 -21.4373 -20.9460 -20.9460 -20.9028 -20.9028 -19.8037 -19.8037 -5.7411 -5.7411 -4.5500 -4.5500 -4.1471 -4.1471 -3.3146 -3.3146 -3.2917 -3.2917 3.6816 3.6816 4.6896 4.6896 4.7977 4.7977 5.3544 5.3544 6.3148 6.3148 6.3946 6.3946 9.0012 9.0012 9.0335 9.0335 9.4907 9.4907 10.3493 10.3493 k = 0.5104 0.1281 0.0022 ( 3992 PWs) bands (ev): -42.5176 -42.5176 -21.4371 -21.4371 -20.9459 -20.9459 -20.9025 -20.9025 -19.8044 -19.8044 -5.7469 -5.7469 -4.5470 -4.5470 -4.1469 -4.1469 -3.3112 -3.3112 -3.2912 -3.2912 3.6795 3.6795 4.7266 4.7266 4.7981 4.7981 5.3153 5.3153 6.3427 6.3427 6.4111 6.4111 9.0023 9.0023 9.0202 9.0202 9.4807 9.4807 10.3309 10.3309 k = 0.5069 0.1272 0.0266 ( 3990 PWs) bands (ev): -42.5176 -42.5176 -21.4370 -21.4370 -20.9459 -20.9459 -20.9022 -20.9022 -19.8049 -19.8049 -5.7511 -5.7511 -4.5448 -4.5448 -4.1468 -4.1468 -3.3089 -3.3089 -3.2909 -3.2909 3.6780 3.6780 4.7543 4.7543 4.8010 4.8010 5.2834 5.2834 6.3612 6.3612 6.4249 6.4249 9.0026 9.0026 9.0105 9.0105 9.4736 9.4736 10.3171 10.3171 k = 0.5035 0.1263 0.0510 ( 3990 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9459 -20.9459 -20.9020 -20.9020 -19.8052 -19.8052 -5.7536 -5.7536 -4.5436 -4.5436 -4.1467 -4.1467 -3.3074 -3.3074 -3.2906 -3.2906 3.6771 3.6771 4.7690 4.7690 4.8068 4.8068 5.2620 5.2620 6.3715 6.3715 6.4342 6.4342 9.0025 9.0025 9.0048 9.0048 9.4694 9.4694 10.3086 10.3086 k = 0.5000 0.1254 0.0755 ( 3986 PWs) bands (ev): -42.5176 -42.5176 -21.4369 -21.4369 -20.9458 -20.9458 -20.9020 -20.9020 -19.8053 -19.8053 -5.7544 -5.7544 -4.5431 -4.5431 -4.1467 -4.1467 -3.3070 -3.3070 -3.2905 -3.2905 3.6768 3.6768 4.7729 4.7729 4.8103 4.8103 5.2544 5.2544 6.3748 6.3748 6.4375 6.4375 9.0020 9.0020 9.0032 9.0032 9.4680 9.4680 10.3057 10.3057 k = 0.5000-0.9337-0.5617 ( 4004 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9705 -20.9705 -20.9333 -20.9333 -19.7111 -19.7111 -5.1360 -5.1360 -4.4984 -4.4984 -4.3081 -4.3081 -3.7083 -3.7083 -3.4384 -3.4384 3.1231 3.1231 3.6097 3.6097 4.9975 4.9975 4.9995 4.9995 5.0579 5.0579 5.3518 5.3518 8.5568 8.5568 9.9230 9.9230 9.9789 9.9789 10.5524 10.5524 k = 0.5213-0.9253-0.5567 ( 3998 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9704 -20.9704 -20.9333 -20.9333 -19.7111 -19.7111 -5.1358 -5.1358 -4.4990 -4.4990 -4.3079 -4.3079 -3.7082 -3.7082 -3.4381 -3.4381 3.1213 3.1213 3.6111 3.6111 4.9874 4.9874 5.0039 5.0039 5.0639 5.0639 5.3526 5.3526 8.5549 8.5549 9.9230 9.9230 9.9789 9.9789 10.5551 10.5551 k = 0.5425-0.9170-0.5516 ( 3999 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9705 -20.9705 -20.9333 -20.9333 -19.7111 -19.7111 -5.1352 -5.1352 -4.5009 -4.5009 -4.3073 -4.3073 -3.7080 -3.7080 -3.4375 -3.4375 3.1160 3.1160 3.6154 3.6154 4.9729 4.9729 5.0043 5.0043 5.0792 5.0792 5.3552 5.3552 8.5495 8.5495 9.9227 9.9227 9.9788 9.9788 10.5629 10.5629 k = 0.5638-0.9086-0.5466 ( 3997 PWs) bands (ev): -42.5121 -42.5121 -21.4617 -21.4617 -20.9704 -20.9704 -20.9333 -20.9333 -19.7111 -19.7111 -5.1342 -5.1342 -4.5038 -4.5038 -4.3064 -4.3064 -3.7077 -3.7077 -3.4364 -3.4364 3.1075 3.1075 3.6224 3.6224 4.9568 4.9568 5.0021 5.0021 5.0995 5.0995 5.3594 5.3594 8.5406 8.5406 9.9223 9.9223 9.9788 9.9788 10.5758 10.5758 k = 0.5851-0.9003-0.5416 ( 3989 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7111 -19.7111 -5.1329 -5.1329 -4.5078 -4.5078 -4.3051 -4.3051 -3.7073 -3.7073 -3.4350 -3.4350 3.0961 3.0961 3.6318 3.6318 4.9401 4.9401 4.9981 4.9981 5.1229 5.1229 5.3651 5.3651 8.5284 8.5284 9.9218 9.9218 9.9787 9.9787 10.5933 10.5933 k = 0.6063-0.8919-0.5366 ( 3989 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1313 -5.1313 -4.5127 -4.5127 -4.3036 -4.3036 -3.7068 -3.7068 -3.4332 -3.4332 3.0823 3.0823 3.6434 3.6434 4.9229 4.9229 4.9930 4.9930 5.1484 5.1484 5.3720 5.3720 8.5134 8.5134 9.9211 9.9211 9.9786 9.9786 10.6150 10.6151 k = 0.6276-0.8835-0.5315 ( 3992 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1294 -5.1294 -4.5184 -4.5184 -4.3019 -4.3019 -3.7062 -3.7062 -3.4311 -3.4311 3.0666 3.0666 3.6569 3.6569 4.9055 4.9055 4.9870 4.9870 5.1756 5.1756 5.3799 5.3799 8.4958 8.4958 9.9203 9.9203 9.9785 9.9785 10.6405 10.6405 k = 0.6489-0.8752-0.5265 ( 3997 PWs) bands (ev): -42.5121 -42.5121 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7112 -19.7112 -5.1272 -5.1272 -4.5246 -4.5246 -4.3002 -4.3002 -3.7055 -3.7055 -3.4287 -3.4287 3.0495 3.0495 3.6720 3.6720 4.8876 4.8876 4.9805 4.9805 5.2041 5.2041 5.3887 5.3887 8.4761 8.4761 9.9194 9.9194 9.9783 9.9783 10.6691 10.6691 k = 0.6702-0.8668-0.5215 ( 4001 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7113 -19.7113 -5.1248 -5.1248 -4.5312 -4.5312 -4.2984 -4.2984 -3.7049 -3.7049 -3.4262 -3.4262 3.0315 3.0315 3.6884 3.6884 4.8695 4.8695 4.9737 4.9737 5.2333 5.2333 5.3981 5.3981 8.4548 8.4548 9.9184 9.9184 9.9781 9.9781 10.7001 10.7001 k = 0.6914-0.8584-0.5164 ( 4003 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7113 -19.7113 -5.1223 -5.1223 -4.5380 -4.5380 -4.2966 -4.2966 -3.7042 -3.7042 -3.4235 -3.4235 3.0131 3.0131 3.7060 3.7060 4.8510 4.8510 4.9668 4.9668 5.2627 5.2627 5.4080 5.4080 8.4323 8.4323 9.9173 9.9173 9.9779 9.9779 10.7327 10.7327 k = 0.7127-0.8501-0.5114 ( 3999 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7113 -19.7113 -5.1197 -5.1197 -4.5449 -4.5449 -4.2949 -4.2949 -3.7036 -3.7036 -3.4208 -3.4208 2.9946 2.9946 3.7245 3.7245 4.8323 4.8323 4.9599 4.9599 5.2919 5.2919 5.4183 5.4183 8.4092 8.4092 9.9162 9.9162 9.9778 9.9778 10.7663 10.7663 k = 0.7340-0.8417-0.5064 ( 4003 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9704 -20.9704 -20.9333 -20.9333 -19.7114 -19.7114 -5.1171 -5.1171 -4.5516 -4.5516 -4.2933 -4.2933 -3.7030 -3.7030 -3.4181 -3.4181 2.9765 2.9765 3.7436 3.7436 4.8134 4.8134 4.9532 4.9532 5.3200 5.3200 5.4290 5.4290 8.3859 8.3859 9.9151 9.9151 9.9775 9.9775 10.7999 10.7999 k = 0.7552-0.8334-0.5013 ( 3995 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9703 -20.9703 -20.9333 -20.9333 -19.7114 -19.7114 -5.1146 -5.1146 -4.5581 -4.5581 -4.2918 -4.2918 -3.7024 -3.7024 -3.4155 -3.4155 2.9591 2.9591 3.7632 3.7632 4.7946 4.7946 4.9469 4.9469 5.3464 5.3464 5.4401 5.4401 8.3629 8.3629 9.9140 9.9140 9.9773 9.9773 10.8329 10.8329 k = 0.7765-0.8250-0.4963 ( 3994 PWs) bands (ev): -42.5122 -42.5122 -21.4616 -21.4616 -20.9703 -20.9703 -20.9332 -20.9332 -19.7115 -19.7115 -5.1122 -5.1122 -4.5641 -4.5641 -4.2904 -4.2904 -3.7019 -3.7019 -3.4130 -3.4130 2.9427 2.9427 3.7829 3.7829 4.7759 4.7759 4.9410 4.9410 5.3703 5.3703 5.4518 5.4518 8.3407 8.3407 9.9130 9.9130 9.9771 9.9771 10.8646 10.8646 k = 0.7978-0.8166-0.4913 ( 3990 PWs) bands (ev): -42.5122 -42.5122 -21.4615 -21.4615 -20.9703 -20.9703 -20.9332 -20.9332 -19.7115 -19.7115 -5.1100 -5.1100 -4.5696 -4.5696 -4.2892 -4.2892 -3.7015 -3.7015 -3.4107 -3.4107 2.9276 2.9276 3.8026 3.8026 4.7578 4.7578 4.9357 4.9357 5.3908 5.3908 5.4642 5.4642 8.3199 8.3199 9.9120 9.9120 9.9769 9.9769 10.8942 10.8942 k = 0.8190-0.8083-0.4862 ( 3986 PWs) bands (ev): -42.5122 -42.5122 -21.4615 -21.4615 -20.9702 -20.9702 -20.9332 -20.9332 -19.7116 -19.7116 -5.1080 -5.1080 -4.5743 -4.5743 -4.2882 -4.2882 -3.7012 -3.7012 -3.4087 -3.4087 2.9141 2.9141 3.8219 3.8219 4.7405 4.7405 4.9310 4.9310 5.4075 5.4075 5.4771 5.4771 8.3007 8.3007 9.9111 9.9111 9.9767 9.9767 10.9214 10.9214 Writing output data file RbScS2.save init_run : 0.73s CPU 1.28s WALL ( 1 calls) electrons : 190.04s CPU 193.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.06s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 190.03s CPU 193.23s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 313 calls) cegterg : 170.80s CPU 172.29s WALL ( 366 calls) Called by sum_band: Called by *egterg: h_psi : 137.81s CPU 139.05s WALL ( 6501 calls) s_psi : 3.81s CPU 3.78s WALL ( 6501 calls) g_psi : 0.15s CPU 0.16s WALL ( 5822 calls) cdiaghg : 35.17s CPU 35.41s WALL ( 6135 calls) cegterg:over : 3.67s CPU 3.70s WALL ( 5822 calls) cegterg:upda : 3.49s CPU 3.73s WALL ( 5822 calls) cegterg:last : 1.56s CPU 1.57s WALL ( 1075 calls) cdiaghg:chol : 2.03s CPU 2.06s WALL ( 6135 calls) cdiaghg:inve : 1.18s CPU 1.18s WALL ( 6135 calls) cdiaghg:para : 1.92s CPU 2.05s WALL ( 12270 calls) Called by h_psi: h_psi:vloc : 128.99s CPU 130.30s WALL ( 6501 calls) h_psi:vnl : 8.67s CPU 8.61s WALL ( 6501 calls) add_vuspsi : 4.52s CPU 4.44s WALL ( 6501 calls) General routines calbec : 4.14s CPU 4.15s WALL ( 6501 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 116.17s CPU 117.11s WALL ( 565300 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 0.16s WALL ( 626 calls) Parallel routines fft_scatter : 26.38s CPU 26.42s WALL ( 565323 calls) PWSCF : 3m24.31s CPU 3m51.16s WALL This run was terminated on: 21:23: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=