Program PWSCF v.5.1.1 starts on 24Jun2015 at 7:46: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./In2Se3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 37 11 1029 669 109 Max 50 38 12 1033 684 111 Sum 2397 1817 537 49519 32593 5273 bravais-lattice index = 14 lattice parameter (alat) = 18.6534 a.u. unit-cell volume = 919.2969 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.653386 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.915829 celldm(5)= 0.915829 celldm(6)= 0.915829 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.915829 0.401568 0.000000 ) a(3) = ( 0.915829 0.191963 0.352714 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.280630 -1.355297 ) b(2) = ( 0.000000 2.490236 -1.355297 ) b(3) = ( 0.000000 0.000000 2.835155 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0108696 -0.0247895 -0.0147315), wk = 0.0034247 k( 3) = ( 0.0217391 -0.0495789 -0.0294630), wk = 0.0034247 k( 4) = ( 0.0326087 -0.0743684 -0.0441945), wk = 0.0034247 k( 5) = ( 0.0434783 -0.0991578 -0.0589259), wk = 0.0034247 k( 6) = ( 0.0543478 -0.1239473 -0.0736574), wk = 0.0034247 k( 7) = ( 0.0652174 -0.1487367 -0.0883889), wk = 0.0034247 k( 8) = ( 0.0760870 -0.1735262 -0.1031204), wk = 0.0034247 k( 9) = ( 0.0869565 -0.1983156 -0.1178519), wk = 0.0034247 k( 10) = ( 0.0978261 -0.2231051 -0.1325834), wk = 0.0034247 k( 11) = ( 0.1086957 -0.2478946 -0.1473149), wk = 0.0034247 k( 12) = ( 0.1195652 -0.2726840 -0.1620464), wk = 0.0034247 k( 13) = ( 0.1304348 -0.2974735 -0.1767778), wk = 0.0034247 k( 14) = ( 0.1413043 -0.3222629 -0.1915093), wk = 0.0034247 k( 15) = ( 0.1521739 -0.3470524 -0.2062408), wk = 0.0034247 k( 16) = ( 0.1630435 -0.3718419 -0.2209723), wk = 0.0034247 k( 17) = ( 0.1739130 -0.3966313 -0.2357038), wk = 0.0034247 k( 18) = ( 0.1847826 -0.4214208 -0.2504353), wk = 0.0034247 k( 19) = ( 0.1956522 -0.4462102 -0.2651668), wk = 0.0034247 k( 20) = ( 0.2065217 -0.4709997 -0.2798983), wk = 0.0034247 k( 21) = ( 0.2173913 -0.4957891 -0.2946297), wk = 0.0034247 k( 22) = ( 0.2282609 -0.5205786 -0.3093612), wk = 0.0034247 k( 23) = ( 0.2391304 -0.5453680 -0.3240927), wk = 0.0034247 k( 24) = ( 0.2500000 -0.5701575 -0.3388242), wk = 0.0034247 k( 25) = ( 0.2608696 -0.5949470 -0.3535557), wk = 0.0034247 k( 26) = ( 0.2717391 -0.6197364 -0.3682872), wk = 0.0034247 k( 27) = ( 0.2826087 -0.6445259 -0.3830187), wk = 0.0034247 k( 28) = ( 0.2934783 -0.6693153 -0.3977502), wk = 0.0034247 k( 29) = ( 0.3043478 -0.6941048 -0.4124817), wk = 0.0034247 k( 30) = ( 0.3152174 -0.7188942 -0.4272131), wk = 0.0034247 k( 31) = ( 0.3260870 -0.7436837 -0.4419446), wk = 0.0034247 k( 32) = ( 0.3369565 -0.7684731 -0.4566761), wk = 0.0034247 k( 33) = ( 0.3478261 -0.7932626 -0.4714076), wk = 0.0034247 k( 34) = ( 0.3586956 -0.8180521 -0.4861391), wk = 0.0034247 k( 35) = ( 0.3695652 -0.8428415 -0.5008706), wk = 0.0034247 k( 36) = ( 0.3804348 -0.8676310 -0.5156021), wk = 0.0034247 k( 37) = ( 0.3913044 -0.8924204 -0.5303336), wk = 0.0034247 k( 38) = ( 0.4021739 -0.9172099 -0.5450650), wk = 0.0034247 k( 39) = ( 0.4130435 -0.9419994 -0.5597965), wk = 0.0034247 k( 40) = ( 0.4239130 -0.9667888 -0.5745280), wk = 0.0034247 k( 41) = ( 0.4347826 -0.9915783 -0.5892595), wk = 0.0034247 k( 42) = ( 0.4456522 -1.0163677 -0.6039910), wk = 0.0034247 k( 43) = ( 0.4565217 -1.0411572 -0.6187225), wk = 0.0034247 k( 44) = ( 0.4673913 -1.0659466 -0.6334540), wk = 0.0034247 k( 45) = ( 0.4782609 -1.0907361 -0.6481855), wk = 0.0034247 k( 46) = ( 0.4891304 -1.1155255 -0.6629169), wk = 0.0034247 k( 47) = ( 0.5000000 -1.1403150 -0.6776484), wk = 0.0034247 k( 48) = ( 0.5000000 -1.1403150 -0.6776484), wk = 0.0034247 k( 49) = ( 0.5000000 -1.1246110 -0.7040745), wk = 0.0034247 k( 50) = ( 0.5000000 -1.1089069 -0.7305005), wk = 0.0034247 k( 51) = ( 0.5000000 -1.0932029 -0.7569265), wk = 0.0034247 k( 52) = ( 0.5000000 -1.0774988 -0.7833526), wk = 0.0034247 k( 53) = ( 0.5000000 -1.0617948 -0.8097786), wk = 0.0034247 k( 54) = ( 0.5000000 -1.0460907 -0.8362046), wk = 0.0034247 k( 55) = ( 0.5000000 -1.0303867 -0.8626307), wk = 0.0034247 k( 56) = ( 0.5000000 -1.0146826 -0.8890567), wk = 0.0034247 k( 57) = ( 0.5000000 -0.9989786 -0.9154828), wk = 0.0034247 k( 58) = ( 0.5000000 -0.9832745 -0.9419088), wk = 0.0034247 k( 59) = ( 0.5000000 -0.9675705 -0.9683348), wk = 0.0034247 k( 60) = ( 0.5000000 -0.9518664 -0.9947609), wk = 0.0034247 k( 61) = ( 0.5000000 -0.9361624 -1.0211869), wk = 0.0034247 k( 62) = ( 0.5000000 -0.9204583 -1.0476129), wk = 0.0034247 k( 63) = ( 0.5000000 -0.9047543 -1.0740390), wk = 0.0034247 k( 64) = ( 0.5000000 -0.8890502 -1.1004650), wk = 0.0034247 k( 65) = ( 0.5000000 -0.8733462 -1.1268910), wk = 0.0034247 k( 66) = ( 0.5000000 -0.8576421 -1.1533171), wk = 0.0034247 k( 67) = ( 0.5000000 -0.8419381 -1.1797431), wk = 0.0034247 k( 68) = ( 0.5000000 -0.8262340 -1.2061691), wk = 0.0034247 k( 69) = ( 0.5000000 -0.8105300 -1.2325952), wk = 0.0034247 k( 70) = ( 0.5000000 -0.7948260 -1.2590212), wk = 0.0034247 k( 71) = ( 0.5000000 -0.7791219 -1.2854472), wk = 0.0034247 k( 72) = ( 0.5000000 -0.7634179 -1.3118732), wk = 0.0034247 k( 73) = ( 0.5000000 -0.7477138 -1.3382993), wk = 0.0034247 k( 74) = ( 0.5000000 -0.7320098 -1.3647253), wk = 0.0034247 k( 75) = ( 0.5000000 -0.7163057 -1.3911514), wk = 0.0034247 k( 76) = ( 0.5000000 -0.7006017 -1.4175774), wk = 0.0034247 k( 77) = ( 0.8234250 -0.6328100 -1.2930163), wk = 0.0034247 k( 78) = ( 0.8170833 -0.6183470 -1.2664419), wk = 0.0034247 k( 79) = ( 0.8107417 -0.6038840 -1.2398674), wk = 0.0034247 k( 80) = ( 0.8044000 -0.5894210 -1.2132930), wk = 0.0034247 k( 81) = ( 0.7980583 -0.5749580 -1.1867185), wk = 0.0034247 k( 82) = ( 0.7917167 -0.5604950 -1.1601441), wk = 0.0034247 k( 83) = ( 0.7853750 -0.5460320 -1.1335696), wk = 0.0034247 k( 84) = ( 0.7790333 -0.5315690 -1.1069952), wk = 0.0034247 k( 85) = ( 0.7726917 -0.5171060 -1.0804207), wk = 0.0034247 k( 86) = ( 0.7663500 -0.5026430 -1.0538463), wk = 0.0034247 k( 87) = ( 0.7600083 -0.4881800 -1.0272718), wk = 0.0034247 k( 88) = ( 0.7536667 -0.4737170 -1.0006974), wk = 0.0034247 k( 89) = ( 0.7473250 -0.4592540 -0.9741229), wk = 0.0034247 k( 90) = ( 0.7409833 -0.4447911 -0.9475485), wk = 0.0034247 k( 91) = ( 0.7346417 -0.4303280 -0.9209740), wk = 0.0034247 k( 92) = ( 0.7283000 -0.4158650 -0.8943996), wk = 0.0034247 k( 93) = ( 0.7219583 -0.4014021 -0.8678251), wk = 0.0034247 k( 94) = ( 0.7156167 -0.3869391 -0.8412507), wk = 0.0034247 k( 95) = ( 0.7092750 -0.3724761 -0.8146762), wk = 0.0034247 k( 96) = ( 0.7029333 -0.3580131 -0.7881018), wk = 0.0034247 k( 97) = ( 0.6965917 -0.3435501 -0.7615273), wk = 0.0034247 k( 98) = ( 0.6902500 -0.3290871 -0.7349529), wk = 0.0034247 k( 99) = ( 0.6839083 -0.3146241 -0.7083785), wk = 0.0034247 k( 100) = ( 0.6775667 -0.3001611 -0.6818040), wk = 0.0034247 k( 101) = ( 0.6712250 -0.2856981 -0.6552295), wk = 0.0034247 k( 102) = ( 0.6648833 -0.2712351 -0.6286551), wk = 0.0034247 k( 103) = ( 0.6585417 -0.2567721 -0.6020807), wk = 0.0034247 k( 104) = ( 0.6522000 -0.2423091 -0.5755062), wk = 0.0034247 k( 105) = ( 0.6458583 -0.2278461 -0.5489318), wk = 0.0034247 k( 106) = ( 0.6395167 -0.2133831 -0.5223573), wk = 0.0034247 k( 107) = ( 0.6331750 -0.1989201 -0.4957829), wk = 0.0034247 k( 108) = ( 0.6268333 -0.1844571 -0.4692084), wk = 0.0034247 k( 109) = ( 0.6204917 -0.1699941 -0.4426340), wk = 0.0034247 k( 110) = ( 0.6141500 -0.1555311 -0.4160595), wk = 0.0034247 k( 111) = ( 0.6078083 -0.1410681 -0.3894851), wk = 0.0034247 k( 112) = ( 0.6014667 -0.1266051 -0.3629106), wk = 0.0034247 k( 113) = ( 0.5951250 -0.1121421 -0.3363362), wk = 0.0034247 k( 114) = ( 0.5887833 -0.0976792 -0.3097617), wk = 0.0034247 k( 115) = ( 0.5824417 -0.0832162 -0.2831873), wk = 0.0034247 k( 116) = ( 0.5761000 -0.0687532 -0.2566128), wk = 0.0034247 k( 117) = ( 0.5697583 -0.0542902 -0.2300384), wk = 0.0034247 k( 118) = ( 0.5634167 -0.0398272 -0.2034639), wk = 0.0034247 k( 119) = ( 0.5570750 -0.0253642 -0.1768895), wk = 0.0034247 k( 120) = ( 0.5507333 -0.0109012 -0.1503150), wk = 0.0034247 k( 121) = ( 0.5443917 0.0035618 -0.1237406), wk = 0.0034247 k( 122) = ( 0.5380500 0.0180248 -0.0971661), wk = 0.0034247 k( 123) = ( 0.5317083 0.0324878 -0.0705917), wk = 0.0034247 k( 124) = ( 0.5253667 0.0469508 -0.0440173), wk = 0.0034247 k( 125) = ( 0.5190250 0.0614138 -0.0174428), wk = 0.0034247 k( 126) = ( 0.5126833 0.0758768 0.0091317), wk = 0.0034247 k( 127) = ( 0.5063417 0.0903398 0.0357061), wk = 0.0034247 k( 128) = ( 0.5000000 0.1048028 0.0622805), wk = 0.0034247 k( 129) = ( 0.5000000 0.1048028 0.0622805), wk = 0.0034247 k( 130) = ( 0.4705882 0.0986379 0.0586170), wk = 0.0034247 k( 131) = ( 0.4411765 0.0924730 0.0549534), wk = 0.0034247 k( 132) = ( 0.4117647 0.0863082 0.0512899), wk = 0.0034247 k( 133) = ( 0.3823529 0.0801433 0.0476263), wk = 0.0034247 k( 134) = ( 0.3529412 0.0739784 0.0439627), wk = 0.0034247 k( 135) = ( 0.3235294 0.0678136 0.0402992), wk = 0.0034247 k( 136) = ( 0.2941177 0.0616487 0.0366356), wk = 0.0034247 k( 137) = ( 0.2647059 0.0554838 0.0329721), wk = 0.0034247 k( 138) = ( 0.2352941 0.0493190 0.0293085), wk = 0.0034247 k( 139) = ( 0.2058823 0.0431541 0.0256449), wk = 0.0034247 k( 140) = ( 0.1764706 0.0369892 0.0219814), wk = 0.0034247 k( 141) = ( 0.1470588 0.0308243 0.0183178), wk = 0.0034247 k( 142) = ( 0.1176471 0.0246595 0.0146542), wk = 0.0034247 k( 143) = ( 0.0882353 0.0184946 0.0109907), wk = 0.0034247 k( 144) = ( 0.0588235 0.0123297 0.0073271), wk = 0.0034247 k( 145) = ( 0.0294118 0.0061649 0.0036636), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 148) = ( 0.0063828 -0.0145568 -0.0267467), wk = 0.0034247 k( 149) = ( 0.0127656 -0.0291135 -0.0534935), wk = 0.0034247 k( 150) = ( 0.0191484 -0.0436703 -0.0802402), wk = 0.0034247 k( 151) = ( 0.0255311 -0.0582271 -0.1069870), wk = 0.0034247 k( 152) = ( 0.0319139 -0.0727838 -0.1337337), wk = 0.0034247 k( 153) = ( 0.0382967 -0.0873406 -0.1604805), wk = 0.0034247 k( 154) = ( 0.0446795 -0.1018974 -0.1872272), wk = 0.0034247 k( 155) = ( 0.0510623 -0.1164541 -0.2139739), wk = 0.0034247 k( 156) = ( 0.0574450 -0.1310109 -0.2407207), wk = 0.0034247 k( 157) = ( 0.0638278 -0.1455677 -0.2674674), wk = 0.0034247 k( 158) = ( 0.0702106 -0.1601244 -0.2942142), wk = 0.0034247 k( 159) = ( 0.0765934 -0.1746812 -0.3209609), wk = 0.0034247 k( 160) = ( 0.0829762 -0.1892380 -0.3477077), wk = 0.0034247 k( 161) = ( 0.0893590 -0.2037947 -0.3744544), wk = 0.0034247 k( 162) = ( 0.0957417 -0.2183515 -0.4012011), wk = 0.0034247 k( 163) = ( 0.1021245 -0.2329083 -0.4279479), wk = 0.0034247 k( 164) = ( 0.1085073 -0.2474650 -0.4546946), wk = 0.0034247 k( 165) = ( 0.1148901 -0.2620218 -0.4814414), wk = 0.0034247 k( 166) = ( 0.1212729 -0.2765786 -0.5081881), wk = 0.0034247 k( 167) = ( 0.1276557 -0.2911353 -0.5349349), wk = 0.0034247 k( 168) = ( 0.1340384 -0.3056921 -0.5616816), wk = 0.0034247 k( 169) = ( 0.1404212 -0.3202489 -0.5884284), wk = 0.0034247 k( 170) = ( 0.1468040 -0.3348056 -0.6151751), wk = 0.0034247 k( 171) = ( 0.1531868 -0.3493624 -0.6419218), wk = 0.0034247 k( 172) = ( 0.1595696 -0.3639191 -0.6686686), wk = 0.0034247 k( 173) = ( 0.1659524 -0.3784759 -0.6954153), wk = 0.0034247 k( 174) = ( 0.1723351 -0.3930327 -0.7221621), wk = 0.0034247 k( 175) = ( 0.1787179 -0.4075895 -0.7489088), wk = 0.0034247 k( 176) = ( 0.1851007 -0.4221462 -0.7756556), wk = 0.0034247 k( 177) = ( 0.1914835 -0.4367030 -0.8024023), wk = 0.0034247 k( 178) = ( 0.1978663 -0.4512598 -0.8291490), wk = 0.0034247 k( 179) = ( 0.2042490 -0.4658165 -0.8558958), wk = 0.0034247 k( 180) = ( 0.2106318 -0.4803733 -0.8826425), wk = 0.0034247 k( 181) = ( 0.2170146 -0.4949301 -0.9093893), wk = 0.0034247 k( 182) = ( 0.2233974 -0.5094868 -0.9361360), wk = 0.0034247 k( 183) = ( 0.2297802 -0.5240436 -0.9628828), wk = 0.0034247 k( 184) = ( 0.2361630 -0.5386004 -0.9896295), wk = 0.0034247 k( 185) = ( 0.2425458 -0.5531571 -1.0163762), wk = 0.0034247 k( 186) = ( 0.2489285 -0.5677139 -1.0431230), wk = 0.0034247 k( 187) = ( 0.2553113 -0.5822707 -1.0698697), wk = 0.0034247 k( 188) = ( 0.2616941 -0.5968274 -1.0966165), wk = 0.0034247 k( 189) = ( 0.2680769 -0.6113842 -1.1233632), wk = 0.0034247 k( 190) = ( 0.2744597 -0.6259410 -1.1501100), wk = 0.0034247 k( 191) = ( 0.2808425 -0.6404977 -1.1768567), wk = 0.0034247 k( 192) = ( 0.2872252 -0.6550545 -1.2036034), wk = 0.0034247 k( 193) = ( 0.2936080 -0.6696113 -1.2303502), wk = 0.0034247 k( 194) = ( 0.2999908 -0.6841680 -1.2570969), wk = 0.0034247 k( 195) = ( 0.3063736 -0.6987248 -1.2838437), wk = 0.0034247 k( 196) = ( 0.3127564 -0.7132815 -1.3105904), wk = 0.0034247 k( 197) = ( 0.3191391 -0.7278383 -1.3373372), wk = 0.0034247 k( 198) = ( 0.3255219 -0.7423951 -1.3640839), wk = 0.0034247 k( 199) = ( 0.3319047 -0.7569518 -1.3908306), wk = 0.0034247 k( 200) = ( 0.3382875 -0.7715086 -1.4175774), wk = 0.0034247 k( 201) = ( 0.6617125 -0.6667058 -1.3552969), wk = 0.0034247 k( 202) = ( 0.6554928 -0.6370324 -1.3552969), wk = 0.0034247 k( 203) = ( 0.6492731 -0.6073590 -1.3552969), wk = 0.0034247 k( 204) = ( 0.6430534 -0.5776856 -1.3552969), wk = 0.0034247 k( 205) = ( 0.6368337 -0.5480122 -1.3552969), wk = 0.0034247 k( 206) = ( 0.6306139 -0.5183388 -1.3552969), wk = 0.0034247 k( 207) = ( 0.6243942 -0.4886654 -1.3552969), wk = 0.0034247 k( 208) = ( 0.6181745 -0.4589920 -1.3552969), wk = 0.0034247 k( 209) = ( 0.6119548 -0.4293186 -1.3552969), wk = 0.0034247 k( 210) = ( 0.6057351 -0.3996452 -1.3552969), wk = 0.0034247 k( 211) = ( 0.5995154 -0.3699718 -1.3552969), wk = 0.0034247 k( 212) = ( 0.5932957 -0.3402983 -1.3552969), wk = 0.0034247 k( 213) = ( 0.5870760 -0.3106249 -1.3552969), wk = 0.0034247 k( 214) = ( 0.5808562 -0.2809515 -1.3552969), wk = 0.0034247 k( 215) = ( 0.5746365 -0.2512781 -1.3552969), wk = 0.0034247 k( 216) = ( 0.5684168 -0.2216047 -1.3552969), wk = 0.0034247 k( 217) = ( 0.5621971 -0.1919313 -1.3552969), wk = 0.0034247 k( 218) = ( 0.5559774 -0.1622579 -1.3552969), wk = 0.0034247 k( 219) = ( 0.5497577 -0.1325845 -1.3552969), wk = 0.0034247 k( 220) = ( 0.5435380 -0.1029111 -1.3552969), wk = 0.0034247 k( 221) = ( 0.5373183 -0.0732377 -1.3552969), wk = 0.0034247 k( 222) = ( 0.5310986 -0.0435643 -1.3552969), wk = 0.0034247 k( 223) = ( 0.5248789 -0.0138909 -1.3552969), wk = 0.0034247 k( 224) = ( 0.5186591 0.0157826 -1.3552969), wk = 0.0034247 k( 225) = ( 0.5124394 0.0454560 -1.3552969), wk = 0.0034247 k( 226) = ( 0.5062197 0.0751294 -1.3552969), wk = 0.0034247 k( 227) = ( 0.5000000 0.1048028 -1.3552969), wk = 0.0034247 k( 228) = ( 0.5000000 0.1048028 -1.3552969), wk = 0.0034247 k( 229) = ( 0.5269521 0.1104521 -1.3449167), wk = 0.0034247 k( 230) = ( 0.5539042 0.1161014 -1.3345367), wk = 0.0034247 k( 231) = ( 0.5808562 0.1217507 -1.3241566), wk = 0.0034247 k( 232) = ( 0.6078083 0.1274000 -1.3137765), wk = 0.0034247 k( 233) = ( 0.6347604 0.1330493 -1.3033964), wk = 0.0034247 k( 234) = ( 0.6617125 0.1386986 -1.2930163), wk = 0.0034247 k( 235) = ( 0.6617125 0.1386986 -1.2930163), wk = 0.0034247 k( 236) = ( 0.6580372 0.1379283 -1.2622141), wk = 0.0034247 k( 237) = ( 0.6543619 0.1371579 -1.2314119), wk = 0.0034247 k( 238) = ( 0.6506867 0.1363875 -1.2006097), wk = 0.0034247 k( 239) = ( 0.6470114 0.1356172 -1.1698075), wk = 0.0034247 k( 240) = ( 0.6433361 0.1348468 -1.1390053), wk = 0.0034247 k( 241) = ( 0.6396608 0.1340765 -1.1082031), wk = 0.0034247 k( 242) = ( 0.6359855 0.1333061 -1.0774009), wk = 0.0034247 k( 243) = ( 0.6323102 0.1325357 -1.0465987), wk = 0.0034247 k( 244) = ( 0.6286350 0.1317654 -1.0157965), wk = 0.0034247 k( 245) = ( 0.6249597 0.1309950 -0.9849943), wk = 0.0034247 k( 246) = ( 0.6212844 0.1302247 -0.9541921), wk = 0.0034247 k( 247) = ( 0.6176091 0.1294543 -0.9233899), wk = 0.0034247 k( 248) = ( 0.6139338 0.1286839 -0.8925877), wk = 0.0034247 k( 249) = ( 0.6102585 0.1279136 -0.8617855), wk = 0.0034247 k( 250) = ( 0.6065832 0.1271432 -0.8309833), wk = 0.0034247 k( 251) = ( 0.6029080 0.1263729 -0.8001811), wk = 0.0034247 k( 252) = ( 0.5992327 0.1256025 -0.7693789), wk = 0.0034247 k( 253) = ( 0.5955574 0.1248321 -0.7385767), wk = 0.0034247 k( 254) = ( 0.5918821 0.1240618 -0.7077745), wk = 0.0034247 k( 255) = ( 0.5882068 0.1232914 -0.6769723), wk = 0.0034247 k( 256) = ( 0.5845315 0.1225211 -0.6461701), wk = 0.0034247 k( 257) = ( 0.5808562 0.1217507 -0.6153679), wk = 0.0034247 k( 258) = ( 0.5771810 0.1209803 -0.5845657), wk = 0.0034247 k( 259) = ( 0.5735057 0.1202100 -0.5537635), wk = 0.0034247 k( 260) = ( 0.5698304 0.1194396 -0.5229613), wk = 0.0034247 k( 261) = ( 0.5661551 0.1186693 -0.4921591), wk = 0.0034247 k( 262) = ( 0.5624798 0.1178989 -0.4613569), wk = 0.0034247 k( 263) = ( 0.5588045 0.1171285 -0.4305547), wk = 0.0034247 k( 264) = ( 0.5551293 0.1163582 -0.3997525), wk = 0.0034247 k( 265) = ( 0.5514540 0.1155878 -0.3689503), wk = 0.0034247 k( 266) = ( 0.5477787 0.1148175 -0.3381481), wk = 0.0034247 k( 267) = ( 0.5441034 0.1140471 -0.3073459), wk = 0.0034247 k( 268) = ( 0.5404281 0.1132767 -0.2765437), wk = 0.0034247 k( 269) = ( 0.5367528 0.1125064 -0.2457415), wk = 0.0034247 k( 270) = ( 0.5330776 0.1117360 -0.2149393), wk = 0.0034247 k( 271) = ( 0.5294023 0.1109657 -0.1841371), wk = 0.0034247 k( 272) = ( 0.5257270 0.1101953 -0.1533349), wk = 0.0034247 k( 273) = ( 0.5220517 0.1094249 -0.1225326), wk = 0.0034247 k( 274) = ( 0.5183764 0.1086546 -0.0917305), wk = 0.0034247 k( 275) = ( 0.5147011 0.1078842 -0.0609283), wk = 0.0034247 k( 276) = ( 0.5110259 0.1071139 -0.0301260), wk = 0.0034247 k( 277) = ( 0.5073506 0.1063435 0.0006761), wk = 0.0034247 k( 278) = ( 0.5036753 0.1055731 0.0314784), wk = 0.0034247 k( 279) = ( 0.5000000 0.1048028 0.0622805), wk = 0.0034247 k( 280) = ( 0.5000000 -1.1403150 -0.6776484), wk = 0.0034247 k( 281) = ( 0.5269521 -1.1315814 -0.6724584), wk = 0.0034247 k( 282) = ( 0.5539042 -1.1228479 -0.6672683), wk = 0.0034247 k( 283) = ( 0.5808562 -1.1141143 -0.6620783), wk = 0.0034247 k( 284) = ( 0.6078083 -1.1053807 -0.6568883), wk = 0.0034247 k( 285) = ( 0.6347604 -1.0966472 -0.6516982), wk = 0.0034247 k( 286) = ( 0.6617125 -1.0879136 -0.6465081), wk = 0.0034247 k( 287) = ( 0.6886646 -1.0791801 -0.6413181), wk = 0.0034247 k( 288) = ( 0.7156167 -1.0704465 -0.6361281), wk = 0.0034247 k( 289) = ( 0.7425687 -1.0617129 -0.6309380), wk = 0.0034247 k( 290) = ( 0.7695208 -1.0529793 -0.6257480), wk = 0.0034247 k( 291) = ( 0.7964729 -1.0442458 -0.6205579), wk = 0.0034247 k( 292) = ( 0.8234250 -1.0355122 -0.6153679), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0034247 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0034247 k( 4) = ( 0.0326087 0.0000000 0.0000000), wk = 0.0034247 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0034247 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0034247 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0034247 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0034247 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0034247 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0034247 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0034247 k( 12) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0034247 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0034247 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0034247 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0034247 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0034247 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0034247 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0034247 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0034247 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0034247 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0034247 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0034247 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0034247 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034247 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0034247 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0034247 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0034247 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0034247 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0034247 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0034247 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0034247 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0034247 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0034247 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0034247 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0034247 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0034247 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0034247 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0034247 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0034247 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0034247 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0034247 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0034247 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0034247 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0034247 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0034247 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0034247 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 49) = ( 0.5000000 0.0063063 -0.0063062), wk = 0.0034247 k( 50) = ( 0.5000000 0.0126125 -0.0126125), wk = 0.0034247 k( 51) = ( 0.5000000 0.0189188 -0.0189187), wk = 0.0034247 k( 52) = ( 0.5000000 0.0252250 -0.0252250), wk = 0.0034247 k( 53) = ( 0.5000000 0.0315313 -0.0315312), wk = 0.0034247 k( 54) = ( 0.5000000 0.0378375 -0.0378375), wk = 0.0034247 k( 55) = ( 0.5000000 0.0441438 -0.0441437), wk = 0.0034247 k( 56) = ( 0.5000000 0.0504500 -0.0504500), wk = 0.0034247 k( 57) = ( 0.5000000 0.0567563 -0.0567562), wk = 0.0034247 k( 58) = ( 0.5000000 0.0630625 -0.0630625), wk = 0.0034247 k( 59) = ( 0.5000000 0.0693688 -0.0693687), wk = 0.0034247 k( 60) = ( 0.5000000 0.0756750 -0.0756750), wk = 0.0034247 k( 61) = ( 0.5000000 0.0819813 -0.0819812), wk = 0.0034247 k( 62) = ( 0.5000000 0.0882875 -0.0882875), wk = 0.0034247 k( 63) = ( 0.5000000 0.0945938 -0.0945938), wk = 0.0034247 k( 64) = ( 0.5000000 0.1009000 -0.1009000), wk = 0.0034247 k( 65) = ( 0.5000000 0.1072063 -0.1072063), wk = 0.0034247 k( 66) = ( 0.5000000 0.1135125 -0.1135125), wk = 0.0034247 k( 67) = ( 0.5000000 0.1198188 -0.1198187), wk = 0.0034247 k( 68) = ( 0.5000000 0.1261250 -0.1261250), wk = 0.0034247 k( 69) = ( 0.5000000 0.1324313 -0.1324312), wk = 0.0034247 k( 70) = ( 0.5000000 0.1387375 -0.1387375), wk = 0.0034247 k( 71) = ( 0.5000000 0.1450437 -0.1450437), wk = 0.0034247 k( 72) = ( 0.5000000 0.1513500 -0.1513500), wk = 0.0034247 k( 73) = ( 0.5000000 0.1576562 -0.1576562), wk = 0.0034247 k( 74) = ( 0.5000000 0.1639625 -0.1639625), wk = 0.0034247 k( 75) = ( 0.5000000 0.1702687 -0.1702687), wk = 0.0034247 k( 76) = ( 0.5000000 0.1765750 -0.1765750), wk = 0.0034247 k( 77) = ( 0.8234250 0.5000000 0.1765750), wk = 0.0034247 k( 78) = ( 0.8170833 0.5000000 0.1829167), wk = 0.0034247 k( 79) = ( 0.8107417 0.5000000 0.1892583), wk = 0.0034247 k( 80) = ( 0.8044000 0.5000000 0.1956000), wk = 0.0034247 k( 81) = ( 0.7980583 0.5000000 0.2019417), wk = 0.0034247 k( 82) = ( 0.7917167 0.5000000 0.2082833), wk = 0.0034247 k( 83) = ( 0.7853750 0.5000000 0.2146250), wk = 0.0034247 k( 84) = ( 0.7790333 0.5000000 0.2209667), wk = 0.0034247 k( 85) = ( 0.7726917 0.5000000 0.2273083), wk = 0.0034247 k( 86) = ( 0.7663500 0.5000000 0.2336500), wk = 0.0034247 k( 87) = ( 0.7600083 0.5000000 0.2399917), wk = 0.0034247 k( 88) = ( 0.7536667 0.5000000 0.2463333), wk = 0.0034247 k( 89) = ( 0.7473250 0.5000000 0.2526750), wk = 0.0034247 k( 90) = ( 0.7409833 0.5000000 0.2590167), wk = 0.0034247 k( 91) = ( 0.7346417 0.5000000 0.2653583), wk = 0.0034247 k( 92) = ( 0.7283000 0.5000000 0.2717000), wk = 0.0034247 k( 93) = ( 0.7219583 0.5000000 0.2780417), wk = 0.0034247 k( 94) = ( 0.7156167 0.5000000 0.2843833), wk = 0.0034247 k( 95) = ( 0.7092750 0.5000000 0.2907250), wk = 0.0034247 k( 96) = ( 0.7029333 0.5000000 0.2970667), wk = 0.0034247 k( 97) = ( 0.6965917 0.5000000 0.3034083), wk = 0.0034247 k( 98) = ( 0.6902500 0.5000000 0.3097500), wk = 0.0034247 k( 99) = ( 0.6839083 0.5000000 0.3160917), wk = 0.0034247 k( 100) = ( 0.6775667 0.5000000 0.3224333), wk = 0.0034247 k( 101) = ( 0.6712250 0.5000000 0.3287750), wk = 0.0034247 k( 102) = ( 0.6648833 0.5000000 0.3351167), wk = 0.0034247 k( 103) = ( 0.6585417 0.5000000 0.3414583), wk = 0.0034247 k( 104) = ( 0.6522000 0.5000000 0.3478000), wk = 0.0034247 k( 105) = ( 0.6458583 0.5000000 0.3541417), wk = 0.0034247 k( 106) = ( 0.6395167 0.5000000 0.3604833), wk = 0.0034247 k( 107) = ( 0.6331750 0.5000000 0.3668250), wk = 0.0034247 k( 108) = ( 0.6268333 0.5000000 0.3731667), wk = 0.0034247 k( 109) = ( 0.6204917 0.5000000 0.3795083), wk = 0.0034247 k( 110) = ( 0.6141500 0.5000000 0.3858500), wk = 0.0034247 k( 111) = ( 0.6078083 0.5000000 0.3921917), wk = 0.0034247 k( 112) = ( 0.6014667 0.5000000 0.3985333), wk = 0.0034247 k( 113) = ( 0.5951250 0.5000000 0.4048750), wk = 0.0034247 k( 114) = ( 0.5887833 0.5000000 0.4112167), wk = 0.0034247 k( 115) = ( 0.5824417 0.5000000 0.4175583), wk = 0.0034247 k( 116) = ( 0.5761000 0.5000000 0.4239000), wk = 0.0034247 k( 117) = ( 0.5697583 0.5000000 0.4302417), wk = 0.0034247 k( 118) = ( 0.5634167 0.5000000 0.4365833), wk = 0.0034247 k( 119) = ( 0.5570750 0.5000000 0.4429250), wk = 0.0034247 k( 120) = ( 0.5507333 0.5000000 0.4492667), wk = 0.0034247 k( 121) = ( 0.5443917 0.5000000 0.4556083), wk = 0.0034247 k( 122) = ( 0.5380500 0.5000000 0.4619500), wk = 0.0034247 k( 123) = ( 0.5317083 0.5000000 0.4682917), wk = 0.0034247 k( 124) = ( 0.5253667 0.5000000 0.4746333), wk = 0.0034247 k( 125) = ( 0.5190250 0.5000000 0.4809750), wk = 0.0034247 k( 126) = ( 0.5126833 0.5000000 0.4873167), wk = 0.0034247 k( 127) = ( 0.5063417 0.5000000 0.4936583), wk = 0.0034247 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 130) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0034247 k( 131) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0034247 k( 132) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0034247 k( 133) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0034247 k( 134) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0034247 k( 135) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0034247 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0034247 k( 137) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0034247 k( 138) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0034247 k( 139) = ( 0.2058823 0.2058824 0.2058824), wk = 0.0034247 k( 140) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0034247 k( 141) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0034247 k( 142) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0034247 k( 143) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0034247 k( 144) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0034247 k( 145) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0034247 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 148) = ( 0.0063828 0.0000000 -0.0063828), wk = 0.0034247 k( 149) = ( 0.0127656 0.0000000 -0.0127656), wk = 0.0034247 k( 150) = ( 0.0191484 0.0000000 -0.0191483), wk = 0.0034247 k( 151) = ( 0.0255311 0.0000000 -0.0255311), wk = 0.0034247 k( 152) = ( 0.0319139 0.0000000 -0.0319139), wk = 0.0034247 k( 153) = ( 0.0382967 0.0000000 -0.0382967), wk = 0.0034247 k( 154) = ( 0.0446795 0.0000000 -0.0446795), wk = 0.0034247 k( 155) = ( 0.0510623 0.0000000 -0.0510623), wk = 0.0034247 k( 156) = ( 0.0574450 0.0000000 -0.0574450), wk = 0.0034247 k( 157) = ( 0.0638278 0.0000000 -0.0638278), wk = 0.0034247 k( 158) = ( 0.0702106 0.0000000 -0.0702106), wk = 0.0034247 k( 159) = ( 0.0765934 0.0000000 -0.0765934), wk = 0.0034247 k( 160) = ( 0.0829762 0.0000000 -0.0829762), wk = 0.0034247 k( 161) = ( 0.0893590 0.0000000 -0.0893590), wk = 0.0034247 k( 162) = ( 0.0957417 0.0000000 -0.0957417), wk = 0.0034247 k( 163) = ( 0.1021245 0.0000000 -0.1021245), wk = 0.0034247 k( 164) = ( 0.1085073 0.0000000 -0.1085073), wk = 0.0034247 k( 165) = ( 0.1148901 0.0000000 -0.1148901), wk = 0.0034247 k( 166) = ( 0.1212729 0.0000000 -0.1212729), wk = 0.0034247 k( 167) = ( 0.1276557 0.0000000 -0.1276557), wk = 0.0034247 k( 168) = ( 0.1340384 0.0000000 -0.1340384), wk = 0.0034247 k( 169) = ( 0.1404212 0.0000000 -0.1404212), wk = 0.0034247 k( 170) = ( 0.1468040 0.0000000 -0.1468040), wk = 0.0034247 k( 171) = ( 0.1531868 0.0000000 -0.1531868), wk = 0.0034247 k( 172) = ( 0.1595696 0.0000000 -0.1595696), wk = 0.0034247 k( 173) = ( 0.1659524 0.0000000 -0.1659524), wk = 0.0034247 k( 174) = ( 0.1723351 0.0000000 -0.1723351), wk = 0.0034247 k( 175) = ( 0.1787179 0.0000000 -0.1787179), wk = 0.0034247 k( 176) = ( 0.1851007 0.0000000 -0.1851007), wk = 0.0034247 k( 177) = ( 0.1914835 0.0000000 -0.1914835), wk = 0.0034247 k( 178) = ( 0.1978663 0.0000000 -0.1978663), wk = 0.0034247 k( 179) = ( 0.2042490 0.0000000 -0.2042491), wk = 0.0034247 k( 180) = ( 0.2106318 -0.0000000 -0.2106318), wk = 0.0034247 k( 181) = ( 0.2170146 0.0000000 -0.2170146), wk = 0.0034247 k( 182) = ( 0.2233974 0.0000000 -0.2233974), wk = 0.0034247 k( 183) = ( 0.2297802 0.0000000 -0.2297802), wk = 0.0034247 k( 184) = ( 0.2361630 0.0000000 -0.2361630), wk = 0.0034247 k( 185) = ( 0.2425458 -0.0000000 -0.2425457), wk = 0.0034247 k( 186) = ( 0.2489285 0.0000000 -0.2489285), wk = 0.0034247 k( 187) = ( 0.2553113 0.0000000 -0.2553113), wk = 0.0034247 k( 188) = ( 0.2616941 0.0000000 -0.2616941), wk = 0.0034247 k( 189) = ( 0.2680769 0.0000000 -0.2680769), wk = 0.0034247 k( 190) = ( 0.2744597 0.0000000 -0.2744597), wk = 0.0034247 k( 191) = ( 0.2808425 0.0000000 -0.2808424), wk = 0.0034247 k( 192) = ( 0.2872252 0.0000000 -0.2872252), wk = 0.0034247 k( 193) = ( 0.2936080 0.0000000 -0.2936080), wk = 0.0034247 k( 194) = ( 0.2999908 0.0000000 -0.2999908), wk = 0.0034247 k( 195) = ( 0.3063736 0.0000000 -0.3063736), wk = 0.0034247 k( 196) = ( 0.3127564 0.0000000 -0.3127564), wk = 0.0034247 k( 197) = ( 0.3191391 0.0000000 -0.3191391), wk = 0.0034247 k( 198) = ( 0.3255219 0.0000000 -0.3255219), wk = 0.0034247 k( 199) = ( 0.3319047 0.0000000 -0.3319047), wk = 0.0034247 k( 200) = ( 0.3382875 0.0000000 -0.3382875), wk = 0.0034247 k( 201) = ( 0.6617125 0.3382875 0.0000000), wk = 0.0034247 k( 202) = ( 0.6554928 0.3445072 0.0000000), wk = 0.0034247 k( 203) = ( 0.6492731 0.3507269 0.0000000), wk = 0.0034247 k( 204) = ( 0.6430534 0.3569466 0.0000000), wk = 0.0034247 k( 205) = ( 0.6368337 0.3631663 0.0000000), wk = 0.0034247 k( 206) = ( 0.6306139 0.3693861 0.0000000), wk = 0.0034247 k( 207) = ( 0.6243942 0.3756058 0.0000000), wk = 0.0034247 k( 208) = ( 0.6181745 0.3818255 0.0000000), wk = 0.0034247 k( 209) = ( 0.6119548 0.3880452 0.0000000), wk = 0.0034247 k( 210) = ( 0.6057351 0.3942649 0.0000000), wk = 0.0034247 k( 211) = ( 0.5995154 0.4004846 0.0000000), wk = 0.0034247 k( 212) = ( 0.5932957 0.4067043 0.0000000), wk = 0.0034247 k( 213) = ( 0.5870760 0.4129240 0.0000000), wk = 0.0034247 k( 214) = ( 0.5808562 0.4191438 0.0000000), wk = 0.0034247 k( 215) = ( 0.5746365 0.4253635 0.0000000), wk = 0.0034247 k( 216) = ( 0.5684168 0.4315832 0.0000000), wk = 0.0034247 k( 217) = ( 0.5621971 0.4378029 0.0000000), wk = 0.0034247 k( 218) = ( 0.5559774 0.4440226 0.0000000), wk = 0.0034247 k( 219) = ( 0.5497577 0.4502423 0.0000000), wk = 0.0034247 k( 220) = ( 0.5435380 0.4564620 0.0000000), wk = 0.0034247 k( 221) = ( 0.5373183 0.4626817 0.0000000), wk = 0.0034247 k( 222) = ( 0.5310986 0.4689014 0.0000000), wk = 0.0034247 k( 223) = ( 0.5248789 0.4751212 0.0000000), wk = 0.0034247 k( 224) = ( 0.5186591 0.4813409 0.0000000), wk = 0.0034247 k( 225) = ( 0.5124394 0.4875606 0.0000000), wk = 0.0034247 k( 226) = ( 0.5062197 0.4937803 0.0000000), wk = 0.0034247 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 229) = ( 0.5269521 0.5269521 0.0294292), wk = 0.0034247 k( 230) = ( 0.5539042 0.5539042 0.0588583), wk = 0.0034247 k( 231) = ( 0.5808562 0.5808563 0.0882875), wk = 0.0034247 k( 232) = ( 0.6078083 0.6078083 0.1177167), wk = 0.0034247 k( 233) = ( 0.6347604 0.6347604 0.1471458), wk = 0.0034247 k( 234) = ( 0.6617125 0.6617125 0.1765750), wk = 0.0034247 k( 235) = ( 0.6617125 0.6617125 0.1765750), wk = 0.0034247 k( 236) = ( 0.6580372 0.6580372 0.1839256), wk = 0.0034247 k( 237) = ( 0.6543619 0.6543619 0.1912761), wk = 0.0034247 k( 238) = ( 0.6506867 0.6506867 0.1986267), wk = 0.0034247 k( 239) = ( 0.6470114 0.6470114 0.2059773), wk = 0.0034247 k( 240) = ( 0.6433361 0.6433361 0.2133278), wk = 0.0034247 k( 241) = ( 0.6396608 0.6396608 0.2206784), wk = 0.0034247 k( 242) = ( 0.6359855 0.6359855 0.2280290), wk = 0.0034247 k( 243) = ( 0.6323102 0.6323102 0.2353795), wk = 0.0034247 k( 244) = ( 0.6286350 0.6286350 0.2427301), wk = 0.0034247 k( 245) = ( 0.6249597 0.6249597 0.2500807), wk = 0.0034247 k( 246) = ( 0.6212844 0.6212844 0.2574313), wk = 0.0034247 k( 247) = ( 0.6176091 0.6176091 0.2647818), wk = 0.0034247 k( 248) = ( 0.6139338 0.6139338 0.2721324), wk = 0.0034247 k( 249) = ( 0.6102585 0.6102585 0.2794830), wk = 0.0034247 k( 250) = ( 0.6065832 0.6065832 0.2868335), wk = 0.0034247 k( 251) = ( 0.6029080 0.6029080 0.2941841), wk = 0.0034247 k( 252) = ( 0.5992327 0.5992327 0.3015347), wk = 0.0034247 k( 253) = ( 0.5955574 0.5955574 0.3088852), wk = 0.0034247 k( 254) = ( 0.5918821 0.5918821 0.3162358), wk = 0.0034247 k( 255) = ( 0.5882068 0.5882068 0.3235864), wk = 0.0034247 k( 256) = ( 0.5845315 0.5845315 0.3309369), wk = 0.0034247 k( 257) = ( 0.5808562 0.5808563 0.3382875), wk = 0.0034247 k( 258) = ( 0.5771810 0.5771810 0.3456381), wk = 0.0034247 k( 259) = ( 0.5735057 0.5735057 0.3529886), wk = 0.0034247 k( 260) = ( 0.5698304 0.5698304 0.3603392), wk = 0.0034247 k( 261) = ( 0.5661551 0.5661551 0.3676898), wk = 0.0034247 k( 262) = ( 0.5624798 0.5624798 0.3750403), wk = 0.0034247 k( 263) = ( 0.5588045 0.5588046 0.3823909), wk = 0.0034247 k( 264) = ( 0.5551293 0.5551293 0.3897415), wk = 0.0034247 k( 265) = ( 0.5514540 0.5514540 0.3970920), wk = 0.0034247 k( 266) = ( 0.5477787 0.5477787 0.4044426), wk = 0.0034247 k( 267) = ( 0.5441034 0.5441034 0.4117932), wk = 0.0034247 k( 268) = ( 0.5404281 0.5404281 0.4191438), wk = 0.0034247 k( 269) = ( 0.5367528 0.5367528 0.4264943), wk = 0.0034247 k( 270) = ( 0.5330776 0.5330776 0.4338449), wk = 0.0034247 k( 271) = ( 0.5294023 0.5294023 0.4411955), wk = 0.0034247 k( 272) = ( 0.5257270 0.5257270 0.4485460), wk = 0.0034247 k( 273) = ( 0.5220517 0.5220517 0.4558966), wk = 0.0034247 k( 274) = ( 0.5183764 0.5183764 0.4632472), wk = 0.0034247 k( 275) = ( 0.5147011 0.5147011 0.4705977), wk = 0.0034247 k( 276) = ( 0.5110259 0.5110259 0.4779483), wk = 0.0034247 k( 277) = ( 0.5073506 0.5073506 0.4852989), wk = 0.0034247 k( 278) = ( 0.5036753 0.5036753 0.4926494), wk = 0.0034247 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 281) = ( 0.5269521 0.0281906 0.0281906), wk = 0.0034247 k( 282) = ( 0.5539042 0.0563812 0.0563812), wk = 0.0034247 k( 283) = ( 0.5808562 0.0845719 0.0845719), wk = 0.0034247 k( 284) = ( 0.6078083 0.1127625 0.1127625), wk = 0.0034247 k( 285) = ( 0.6347604 0.1409531 0.1409531), wk = 0.0034247 k( 286) = ( 0.6617125 0.1691437 0.1691438), wk = 0.0034247 k( 287) = ( 0.6886646 0.1973344 0.1973344), wk = 0.0034247 k( 288) = ( 0.7156167 0.2255250 0.2255250), wk = 0.0034247 k( 289) = ( 0.7425687 0.2537156 0.2537156), wk = 0.0034247 k( 290) = ( 0.7695208 0.2819063 0.2819063), wk = 0.0034247 k( 291) = ( 0.7964729 0.3100969 0.3100969), wk = 0.0034247 k( 292) = ( 0.8234250 0.3382875 0.3382875), wk = 0.0034247 Dense grid: 49519 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 32593 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 182, 52) NL pseudopotentials 0.15 Mb ( 91, 110) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.01 Mb ( 1032) G-vector shells 0.01 Mb ( 883) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 182, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./In2Se3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.7 secs Computing kpt #: 2 total cpu time spent up to now is 46.6 secs Computing kpt #: 3 total cpu time spent up to now is 49.4 secs Computing kpt #: 4 total cpu time spent up to now is 52.3 secs Computing kpt #: 5 total cpu time spent up to now is 55.6 secs Computing kpt #: 6 total cpu time spent up to now is 58.7 secs Computing kpt #: 7 total cpu time spent up to now is 61.5 secs Computing kpt #: 8 total cpu time spent up to now is 64.4 secs Computing kpt #: 9 total cpu time spent up to now is 67.7 secs Computing kpt #: 10 total cpu time spent up to now is 70.7 secs Computing kpt #: 11 total cpu time spent up to now is 73.9 secs Computing kpt #: 12 total cpu time spent up to now is 76.7 secs Computing kpt #: 13 total cpu time spent up to now is 79.5 secs Computing kpt #: 14 total cpu time spent up to now is 82.4 secs Computing kpt #: 15 total cpu time spent up to now is 85.5 secs Computing kpt #: 16 total cpu time spent up to now is 88.4 secs Computing kpt #: 17 total cpu time spent up to now is 91.5 secs Computing kpt #: 18 total cpu time spent up to now is 94.2 secs Computing kpt #: 19 total cpu time spent up to now is 97.0 secs Computing kpt #: 20 total cpu time spent up to now is 99.9 secs Computing kpt #: 21 total cpu time spent up to now is 102.7 secs Computing kpt #: 22 total cpu time spent up to now is 105.6 secs Computing kpt #: 23 total cpu time spent up to now is 109.0 secs Computing kpt #: 24 total cpu time spent up to now is 111.8 secs Computing kpt #: 25 total cpu time spent up to now is 114.6 secs Computing kpt #: 26 total cpu time spent up to now is 117.6 secs Computing kpt #: 27 total cpu time spent up to now is 120.6 secs Computing kpt #: 28 total cpu time spent up to now is 124.2 secs Computing kpt #: 29 total cpu time spent up to now is 127.4 secs Computing kpt #: 30 total cpu time spent up to now is 131.4 secs Computing kpt #: 31 total cpu time spent up to now is 134.4 secs Computing kpt #: 32 total cpu time spent up to now is 137.2 secs Computing kpt #: 33 total cpu time spent up to now is 140.3 secs Computing kpt #: 34 total cpu time spent up to now is 143.1 secs Computing kpt #: 35 total cpu time spent up to now is 146.0 secs Computing kpt #: 36 total cpu time spent up to now is 149.2 secs Computing kpt #: 37 total cpu time spent up to now is 152.1 secs Computing kpt #: 38 total cpu time spent up to now is 154.9 secs Computing kpt #: 39 total cpu time spent up to now is 157.7 secs Computing kpt #: 40 total cpu time spent up to now is 160.7 secs Computing kpt #: 41 total cpu time spent up to now is 163.8 secs Computing kpt #: 42 total cpu time spent up to now is 166.9 secs Computing kpt #: 43 total cpu time spent up to now is 169.8 secs Computing kpt #: 44 total cpu time spent up to now is 172.7 secs Computing kpt #: 45 total cpu time spent up to now is 175.5 secs Computing kpt #: 46 total cpu time spent up to now is 178.6 secs Computing kpt #: 47 total cpu time spent up to now is 181.5 secs Computing kpt #: 48 total cpu time spent up to now is 184.9 secs Computing kpt #: 49 total cpu time spent up to now is 187.9 secs Computing kpt #: 50 total cpu time spent up to now is 190.7 secs Computing kpt #: 51 total cpu time spent up to now is 193.6 secs Computing kpt #: 52 total cpu time spent up to now is 196.6 secs Computing kpt #: 53 total cpu time spent up to now is 199.7 secs Computing kpt #: 54 total cpu time spent up to now is 202.9 secs Computing kpt #: 55 total cpu time spent up to now is 205.8 secs Computing kpt #: 56 total cpu time spent up to now is 208.6 secs Computing kpt #: 57 total cpu time spent up to now is 211.9 secs Computing kpt #: 58 total cpu time spent up to now is 214.9 secs Computing kpt #: 59 total cpu time spent up to now is 218.2 secs Computing kpt #: 60 total cpu time spent up to now is 221.1 secs Computing kpt #: 61 total cpu time spent up to now is 223.9 secs Computing kpt #: 62 total cpu time spent up to now is 227.1 secs Computing kpt #: 63 total cpu time spent up to now is 230.0 secs Computing kpt #: 64 total cpu time spent up to now is 232.9 secs Computing kpt #: 65 total cpu time spent up to now is 235.7 secs Computing kpt #: 66 total cpu time spent up to now is 238.5 secs Computing kpt #: 67 total cpu time spent up to now is 241.4 secs Computing kpt #: 68 total cpu time spent up to now is 244.3 secs Computing kpt #: 69 total cpu time spent up to now is 247.2 secs Computing kpt #: 70 total cpu time spent up to now is 250.0 secs Computing kpt #: 71 total cpu time spent up to now is 252.8 secs Computing kpt #: 72 total cpu time spent up to now is 255.5 secs Computing kpt #: 73 total cpu time spent up to now is 258.4 secs Computing kpt #: 74 total cpu time spent up to now is 261.3 secs Computing kpt #: 75 total cpu time spent up to now is 263.7 secs Computing kpt #: 76 total cpu time spent up to now is 266.1 secs Computing kpt #: 77 total cpu time spent up to now is 268.6 secs Computing kpt #: 78 total cpu time spent up to now is 271.0 secs Computing kpt #: 79 total cpu time spent up to now is 273.5 secs Computing kpt #: 80 total cpu time spent up to now is 276.1 secs Computing kpt #: 81 total cpu time spent up to now is 278.4 secs Computing kpt #: 82 total cpu time spent up to now is 280.8 secs Computing kpt #: 83 total cpu time spent up to now is 283.6 secs Computing kpt #: 84 total cpu time spent up to now is 286.2 secs Computing kpt #: 85 total cpu time spent up to now is 289.3 secs Computing kpt #: 86 total cpu time spent up to now is 291.9 secs Computing kpt #: 87 total cpu time spent up to now is 294.4 secs Computing kpt #: 88 total cpu time spent up to now is 296.8 secs Computing kpt #: 89 total cpu time spent up to now is 299.2 secs Computing kpt #: 90 total cpu time spent up to now is 302.1 secs Computing kpt #: 91 total cpu time spent up to now is 305.0 secs Computing kpt #: 92 total cpu time spent up to now is 307.7 secs Computing kpt #: 93 total cpu time spent up to now is 310.4 secs Computing kpt #: 94 total cpu time spent up to now is 313.6 secs Computing kpt #: 95 total cpu time spent up to now is 316.8 secs Computing kpt #: 96 total cpu time spent up to now is 319.8 secs Computing kpt #: 97 total cpu time spent up to now is 322.7 secs Computing kpt #: 98 total cpu time spent up to now is 325.4 secs Computing kpt #: 99 total cpu time spent up to now is 328.5 secs Computing kpt #: 100 total cpu time spent up to now is 331.3 secs Computing kpt #: 101 total cpu time spent up to now is 334.3 secs Computing kpt #: 102 total cpu time spent up to now is 337.2 secs Computing kpt #: 103 total cpu time spent up to now is 340.0 secs Computing kpt #: 104 total cpu time spent up to now is 343.0 secs Computing kpt #: 105 total cpu time spent up to now is 346.0 secs Computing kpt #: 106 total cpu time spent up to now is 349.2 secs Computing kpt #: 107 total cpu time spent up to now is 352.0 secs Computing kpt #: 108 total cpu time spent up to now is 354.8 secs Computing kpt #: 109 total cpu time spent up to now is 357.8 secs Computing kpt #: 110 total cpu time spent up to now is 360.9 secs Computing kpt #: 111 total cpu time spent up to now is 363.7 secs Computing kpt #: 112 total cpu time spent up to now is 366.8 secs Computing kpt #: 113 total cpu time spent up to now is 369.6 secs Computing kpt #: 114 total cpu time spent up to now is 373.1 secs Computing kpt #: 115 total cpu time spent up to now is 376.0 secs Computing kpt #: 116 total cpu time spent up to now is 378.9 secs Computing kpt #: 117 total cpu time spent up to now is 382.0 secs Computing kpt #: 118 total cpu time spent up to now is 385.7 secs Computing kpt #: 119 total cpu time spent up to now is 389.2 secs Computing kpt #: 120 total cpu time spent up to now is 392.1 secs Computing kpt #: 121 total cpu time spent up to now is 395.1 secs Computing kpt #: 122 total cpu time spent up to now is 398.1 secs Computing kpt #: 123 total cpu time spent up to now is 401.3 secs Computing kpt #: 124 total cpu time spent up to now is 404.2 secs Computing kpt #: 125 total cpu time spent up to now is 407.6 secs Computing kpt #: 126 total cpu time spent up to now is 410.9 secs Computing kpt #: 127 total cpu time spent up to now is 413.8 secs Computing kpt #: 128 total cpu time spent up to now is 416.5 secs Computing kpt #: 129 total cpu time spent up to now is 419.3 secs Computing kpt #: 130 total cpu time spent up to now is 422.3 secs Computing kpt #: 131 total cpu time spent up to now is 425.9 secs Computing kpt #: 132 total cpu time spent up to now is 428.8 secs Computing kpt #: 133 total cpu time spent up to now is 431.6 secs Computing kpt #: 134 total cpu time spent up to now is 434.3 secs Computing kpt #: 135 total cpu time spent up to now is 437.1 secs Computing kpt #: 136 total cpu time spent up to now is 439.8 secs Computing kpt #: 137 total cpu time spent up to now is 442.9 secs Computing kpt #: 138 total cpu time spent up to now is 445.7 secs Computing kpt #: 139 total cpu time spent up to now is 448.9 secs Computing kpt #: 140 total cpu time spent up to now is 451.7 secs Computing kpt #: 141 total cpu time spent up to now is 454.5 secs Computing kpt #: 142 total cpu time spent up to now is 457.7 secs Computing kpt #: 143 total cpu time spent up to now is 460.5 secs Computing kpt #: 144 total cpu time spent up to now is 463.3 secs Computing kpt #: 145 total cpu time spent up to now is 467.2 secs Computing kpt #: 146 total cpu time spent up to now is 470.0 secs Computing kpt #: 147 total cpu time spent up to now is 473.2 secs Computing kpt #: 148 total cpu time spent up to now is 476.5 secs Computing kpt #: 149 total cpu time spent up to now is 480.0 secs Computing kpt #: 150 total cpu time spent up to now is 482.8 secs Computing kpt #: 151 total cpu time spent up to now is 485.6 secs Computing kpt #: 152 total cpu time spent up to now is 488.4 secs Computing kpt #: 153 total cpu time spent up to now is 491.2 secs Computing kpt #: 154 total cpu time spent up to now is 494.2 secs Computing kpt #: 155 total cpu time spent up to now is 497.1 secs Computing kpt #: 156 total cpu time spent up to now is 500.0 secs Computing kpt #: 157 total cpu time spent up to now is 502.8 secs Computing kpt #: 158 total cpu time spent up to now is 505.6 secs Computing kpt #: 159 total cpu time spent up to now is 508.4 secs Computing kpt #: 160 total cpu time spent up to now is 511.4 secs Computing kpt #: 161 total cpu time spent up to now is 514.3 secs Computing kpt #: 162 total cpu time spent up to now is 517.4 secs Computing kpt #: 163 total cpu time spent up to now is 520.2 secs Computing kpt #: 164 total cpu time spent up to now is 523.1 secs Computing kpt #: 165 total cpu time spent up to now is 526.3 secs Computing kpt #: 166 total cpu time spent up to now is 529.3 secs Computing kpt #: 167 total cpu time spent up to now is 532.3 secs Computing kpt #: 168 total cpu time spent up to now is 535.4 secs Computing kpt #: 169 total cpu time spent up to now is 539.5 secs Computing kpt #: 170 total cpu time spent up to now is 543.4 secs Computing kpt #: 171 total cpu time spent up to now is 546.5 secs Computing kpt #: 172 total cpu time spent up to now is 549.5 secs Computing kpt #: 173 total cpu time spent up to now is 552.8 secs Computing kpt #: 174 total cpu time spent up to now is 556.9 secs Computing kpt #: 175 total cpu time spent up to now is 559.9 secs Computing kpt #: 176 total cpu time spent up to now is 563.0 secs Computing kpt #: 177 total cpu time spent up to now is 566.1 secs Computing kpt #: 178 total cpu time spent up to now is 569.0 secs Computing kpt #: 179 total cpu time spent up to now is 571.8 secs Computing kpt #: 180 total cpu time spent up to now is 574.7 secs Computing kpt #: 181 total cpu time spent up to now is 578.1 secs Computing kpt #: 182 total cpu time spent up to now is 581.0 secs Computing kpt #: 183 total cpu time spent up to now is 583.9 secs Computing kpt #: 184 total cpu time spent up to now is 586.7 secs Computing kpt #: 185 total cpu time spent up to now is 589.8 secs Computing kpt #: 186 total cpu time spent up to now is 592.5 secs Computing kpt #: 187 total cpu time spent up to now is 595.4 secs Computing kpt #: 188 total cpu time spent up to now is 598.3 secs Computing kpt #: 189 total cpu time spent up to now is 601.2 secs Computing kpt #: 190 total cpu time spent up to now is 604.2 secs Computing kpt #: 191 total cpu time spent up to now is 607.1 secs Computing kpt #: 192 total cpu time spent up to now is 609.8 secs Computing kpt #: 193 total cpu time spent up to now is 612.6 secs Computing kpt #: 194 total cpu time spent up to now is 615.4 secs Computing kpt #: 195 total cpu time spent up to now is 618.1 secs Computing kpt #: 196 total cpu time spent up to now is 621.0 secs Computing kpt #: 197 total cpu time spent up to now is 624.2 secs Computing kpt #: 198 total cpu time spent up to now is 626.9 secs Computing kpt #: 199 total cpu time spent up to now is 630.3 secs Computing kpt #: 200 total cpu time spent up to now is 632.7 secs Computing kpt #: 201 total cpu time spent up to now is 635.7 secs Computing kpt #: 202 total cpu time spent up to now is 638.3 secs Computing kpt #: 203 total cpu time spent up to now is 640.7 secs Computing kpt #: 204 total cpu time spent up to now is 643.1 secs Computing kpt #: 205 total cpu time spent up to now is 645.7 secs Computing kpt #: 206 total cpu time spent up to now is 648.6 secs Computing kpt #: 207 total cpu time spent up to now is 651.2 secs Computing kpt #: 208 total cpu time spent up to now is 653.6 secs Computing kpt #: 209 total cpu time spent up to now is 656.4 secs Computing kpt #: 210 total cpu time spent up to now is 659.1 secs Computing kpt #: 211 total cpu time spent up to now is 662.4 secs Computing kpt #: 212 total cpu time spent up to now is 665.2 secs Computing kpt #: 213 total cpu time spent up to now is 668.0 secs Computing kpt #: 214 total cpu time spent up to now is 670.7 secs Computing kpt #: 215 total cpu time spent up to now is 673.7 secs Computing kpt #: 216 total cpu time spent up to now is 676.8 secs Computing kpt #: 217 total cpu time spent up to now is 679.8 secs Computing kpt #: 218 total cpu time spent up to now is 682.7 secs Computing kpt #: 219 total cpu time spent up to now is 685.5 secs Computing kpt #: 220 total cpu time spent up to now is 688.3 secs Computing kpt #: 221 total cpu time spent up to now is 691.2 secs Computing kpt #: 222 total cpu time spent up to now is 694.3 secs Computing kpt #: 223 total cpu time spent up to now is 697.1 secs Computing kpt #: 224 total cpu time spent up to now is 699.9 secs Computing kpt #: 225 total cpu time spent up to now is 703.2 secs Computing kpt #: 226 total cpu time spent up to now is 706.0 secs Computing kpt #: 227 total cpu time spent up to now is 709.6 secs Computing kpt #: 228 total cpu time spent up to now is 712.3 secs Computing kpt #: 229 total cpu time spent up to now is 715.2 secs Computing kpt #: 230 total cpu time spent up to now is 718.0 secs Computing kpt #: 231 total cpu time spent up to now is 720.8 secs Computing kpt #: 232 total cpu time spent up to now is 723.9 secs Computing kpt #: 233 total cpu time spent up to now is 726.7 secs Computing kpt #: 234 total cpu time spent up to now is 729.7 secs Computing kpt #: 235 total cpu time spent up to now is 732.7 secs Computing kpt #: 236 total cpu time spent up to now is 735.5 secs Computing kpt #: 237 total cpu time spent up to now is 738.3 secs Computing kpt #: 238 total cpu time spent up to now is 741.4 secs Computing kpt #: 239 total cpu time spent up to now is 744.2 secs Computing kpt #: 240 total cpu time spent up to now is 747.0 secs Computing kpt #: 241 total cpu time spent up to now is 749.9 secs Computing kpt #: 242 total cpu time spent up to now is 752.8 secs Computing kpt #: 243 total cpu time spent up to now is 756.2 secs Computing kpt #: 244 total cpu time spent up to now is 759.0 secs Computing kpt #: 245 total cpu time spent up to now is 762.2 secs Computing kpt #: 246 total cpu time spent up to now is 765.5 secs Computing kpt #: 247 total cpu time spent up to now is 768.3 secs Computing kpt #: 248 total cpu time spent up to now is 771.1 secs Computing kpt #: 249 total cpu time spent up to now is 773.9 secs Computing kpt #: 250 total cpu time spent up to now is 777.3 secs Computing kpt #: 251 total cpu time spent up to now is 780.1 secs Computing kpt #: 252 total cpu time spent up to now is 782.9 secs Computing kpt #: 253 total cpu time spent up to now is 786.1 secs Computing kpt #: 254 total cpu time spent up to now is 788.9 secs Computing kpt #: 255 total cpu time spent up to now is 791.8 secs Computing kpt #: 256 total cpu time spent up to now is 794.6 secs Computing kpt #: 257 total cpu time spent up to now is 797.4 secs Computing kpt #: 258 total cpu time spent up to now is 800.4 secs Computing kpt #: 259 total cpu time spent up to now is 804.0 secs Computing kpt #: 260 total cpu time spent up to now is 806.9 secs Computing kpt #: 261 total cpu time spent up to now is 809.9 secs Computing kpt #: 262 total cpu time spent up to now is 812.9 secs Computing kpt #: 263 total cpu time spent up to now is 815.8 secs Computing kpt #: 264 total cpu time spent up to now is 819.1 secs Computing kpt #: 265 total cpu time spent up to now is 822.2 secs Computing kpt #: 266 total cpu time spent up to now is 825.1 secs Computing kpt #: 267 total cpu time spent up to now is 828.1 secs Computing kpt #: 268 total cpu time spent up to now is 831.3 secs Computing kpt #: 269 total cpu time spent up to now is 834.3 secs Computing kpt #: 270 total cpu time spent up to now is 837.2 secs Computing kpt #: 271 total cpu time spent up to now is 840.3 secs Computing kpt #: 272 total cpu time spent up to now is 843.2 secs Computing kpt #: 273 total cpu time spent up to now is 846.0 secs Computing kpt #: 274 total cpu time spent up to now is 849.1 secs Computing kpt #: 275 total cpu time spent up to now is 851.9 secs Computing kpt #: 276 total cpu time spent up to now is 854.7 secs Computing kpt #: 277 total cpu time spent up to now is 857.6 secs Computing kpt #: 278 total cpu time spent up to now is 860.4 secs Computing kpt #: 279 total cpu time spent up to now is 863.2 secs Computing kpt #: 280 total cpu time spent up to now is 866.3 secs Computing kpt #: 281 total cpu time spent up to now is 869.5 secs Computing kpt #: 282 total cpu time spent up to now is 872.4 secs Computing kpt #: 283 total cpu time spent up to now is 875.2 secs Computing kpt #: 284 total cpu time spent up to now is 878.6 secs Computing kpt #: 285 total cpu time spent up to now is 881.4 secs Computing kpt #: 286 total cpu time spent up to now is 884.3 secs Computing kpt #: 287 total cpu time spent up to now is 887.2 secs Computing kpt #: 288 total cpu time spent up to now is 890.1 secs Computing kpt #: 289 total cpu time spent up to now is 892.9 secs Computing kpt #: 290 total cpu time spent up to now is 897.2 secs Computing kpt #: 291 total cpu time spent up to now is 900.0 secs Computing kpt #: 292 total cpu time spent up to now is 903.4 secs ethr = 2.27E-11, avg # of iterations = 24.0 total cpu time spent up to now is 903.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.8115 -8.8115 -8.1244 -8.1244 -8.0852 -8.0852 -7.9472 -7.9472 -7.9296 -7.9296 -7.2944 -7.2944 -7.2447 -7.2447 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3847 -6.3847 -4.3107 -4.3107 1.1990 1.1990 2.0356 2.0356 3.1233 3.1233 3.3846 3.3846 4.2576 4.2576 5.4552 5.4552 5.7376 5.7376 6.2935 6.2935 6.4293 6.4293 6.5859 6.5859 8.3328 8.3328 9.3489 9.3489 11.1108 11.1108 k = 0.0109-0.0248-0.0147 ( 4065 PWs) bands (ev): -8.8107 -8.8107 -8.1245 -8.1245 -8.0861 -8.0843 -7.9476 -7.9466 -7.9296 -7.9296 -7.2958 -7.2933 -7.2453 -7.2441 -7.2325 -7.2325 -7.1204 -7.1178 -7.0823 -7.0823 -7.0670 -7.0663 -6.3845 -6.3826 -4.3114 -4.3112 1.1966 1.1983 2.0294 2.0396 3.1116 3.1297 3.3800 3.3802 4.2606 4.2721 5.4460 5.4541 5.7307 5.7308 6.2559 6.3071 6.4090 6.4578 6.5979 6.5996 8.3255 8.3454 9.3463 9.3615 11.0806 11.1323 k = 0.0217-0.0496-0.0295 ( 4061 PWs) bands (ev): -8.8083 -8.8082 -8.1246 -8.1246 -8.0871 -8.0836 -7.9479 -7.9460 -7.9294 -7.9293 -7.2975 -7.2926 -7.2461 -7.2437 -7.2326 -7.2326 -7.1216 -7.1164 -7.0823 -7.0822 -7.0673 -7.0659 -6.3821 -6.3784 -4.3130 -4.3128 1.1910 1.1946 2.0211 2.0414 3.0948 3.1307 3.3668 3.3679 4.2808 4.3030 5.4258 5.4427 5.7113 5.7122 6.2092 6.2802 6.4177 6.4782 6.6303 6.6397 8.3234 8.3624 9.3541 9.3839 11.0427 11.1436 k = 0.0326-0.0744-0.0442 ( 4059 PWs) bands (ev): -8.8042 -8.8041 -8.1248 -8.1248 -8.0881 -8.0829 -7.9480 -7.9454 -7.9291 -7.9288 -7.2995 -7.2921 -7.2470 -7.2435 -7.2328 -7.2328 -7.1226 -7.1150 -7.0822 -7.0821 -7.0674 -7.0653 -6.3775 -6.3719 -4.3158 -4.3155 1.1822 1.1876 2.0110 2.0408 3.0739 3.1269 3.3461 3.3493 4.3159 4.3476 5.3934 5.4198 5.6831 5.6857 6.1572 6.2312 6.4400 6.4935 6.6784 6.6976 8.3257 8.3819 9.3727 9.4159 10.9978 11.1426 k = 0.0435-0.0992-0.0589 ( 4061 PWs) bands (ev): -8.7985 -8.7984 -8.1252 -8.1250 -8.0890 -8.0823 -7.9480 -7.9447 -7.9287 -7.9280 -7.3020 -7.2918 -7.2479 -7.2435 -7.2331 -7.2330 -7.1236 -7.1136 -7.0822 -7.0818 -7.0675 -7.0647 -6.3706 -6.3634 -4.3198 -4.3193 1.1701 1.1776 1.9991 2.0377 3.0500 3.1188 3.3198 3.3261 4.3629 4.4030 5.3480 5.3845 5.6507 5.6558 6.1007 6.1738 6.4653 6.5095 6.7375 6.7649 8.3310 8.4018 9.4026 9.4571 10.9464 11.1274 k = 0.0543-0.1239-0.0737 ( 4057 PWs) bands (ev): -8.7911 -8.7910 -8.1257 -8.1253 -8.0900 -8.0818 -7.9477 -7.9441 -7.9282 -7.9269 -7.3048 -7.2918 -7.2487 -7.2438 -7.2334 -7.2332 -7.1244 -7.1122 -7.0821 -7.0815 -7.0675 -7.0640 -6.3616 -6.3529 -4.3249 -4.3242 1.1547 1.1643 1.9858 2.0322 3.0246 3.1076 3.2900 3.2999 4.4182 4.4660 5.2897 5.3365 5.6183 5.6258 6.0404 6.1116 6.4924 6.5288 6.8035 6.8371 8.3375 8.4197 9.4439 9.5073 10.8886 11.0968 k = 0.0652-0.1487-0.0884 ( 4063 PWs) bands (ev): -8.7822 -8.7821 -8.1263 -8.1257 -8.0910 -8.0815 -7.9473 -7.9435 -7.9276 -7.9254 -7.3080 -7.2921 -7.2495 -7.2444 -7.2337 -7.2334 -7.1250 -7.1108 -7.0820 -7.0810 -7.0673 -7.0631 -6.3505 -6.3404 -4.3312 -4.3304 1.1359 1.1478 1.9711 2.0244 2.9990 3.0941 3.2579 3.2714 4.4780 4.5336 5.2201 5.2775 5.5878 5.5970 5.9772 6.0460 6.5219 6.5522 6.8735 6.9115 8.3431 8.4334 9.4962 9.5659 10.8250 11.0508 k = 0.0761-0.1735-0.1031 ( 4064 PWs) bands (ev): -8.7718 -8.7716 -8.1270 -8.1261 -8.0919 -8.0813 -7.9467 -7.9431 -7.9269 -7.9234 -7.3115 -7.2926 -7.2502 -7.2453 -7.2339 -7.2337 -7.1255 -7.1095 -7.0819 -7.0803 -7.0671 -7.0623 -6.3373 -6.3260 -4.3388 -4.3379 1.1137 1.1280 1.9555 2.0144 2.9745 3.0791 3.2247 3.2413 4.5383 4.6029 5.1417 5.2110 5.5591 5.5695 5.9126 5.9789 6.5542 6.5796 6.9453 6.9868 8.3463 8.4413 9.5588 9.6318 10.7561 10.9906 k = 0.0870-0.1983-0.1179 ( 4069 PWs) bands (ev): -8.7598 -8.7597 -8.1279 -8.1266 -8.0927 -8.0812 -7.9459 -7.9427 -7.9262 -7.9210 -7.3153 -7.2934 -7.2509 -7.2464 -7.2341 -7.2339 -7.1259 -7.1082 -7.0819 -7.0795 -7.0668 -7.0613 -6.3222 -6.3099 -4.3477 -4.3467 1.0881 1.1050 1.9393 2.0025 2.9516 3.0631 3.1914 3.2102 4.5942 4.6709 5.0568 5.1416 5.5316 5.5429 5.8488 5.9121 6.5892 6.6108 7.0177 7.0621 8.3456 8.4424 9.6302 9.7037 10.6825 10.9183 k = 0.0978-0.2231-0.1326 ( 4072 PWs) bands (ev): -8.7464 -8.7463 -8.1290 -8.1271 -8.0934 -8.0813 -7.9449 -7.9425 -7.9252 -7.9182 -7.3194 -7.2945 -7.2514 -7.2477 -7.2342 -7.2341 -7.1260 -7.1071 -7.0818 -7.0784 -7.0662 -7.0602 -6.3051 -6.2921 -4.3581 -4.3569 1.0593 1.0788 1.9228 1.9891 2.9308 3.0461 3.1590 3.1785 4.6388 4.7342 4.9678 5.0757 5.5044 5.5169 5.7884 5.8481 6.6267 6.6453 7.0898 7.1366 8.3398 8.4359 9.7083 9.7797 10.6055 10.8368 k = 0.1087-0.2479-0.1473 ( 4068 PWs) bands (ev): -8.7315 -8.7315 -8.1302 -8.1278 -8.0941 -8.0815 -7.9437 -7.9423 -7.9242 -7.9148 -7.3237 -7.2959 -7.2519 -7.2490 -7.2342 -7.2342 -7.1260 -7.1061 -7.0817 -7.0772 -7.0655 -7.0590 -6.2863 -6.2727 -4.3699 -4.3686 1.0275 1.0496 1.9063 1.9747 2.9117 3.0270 3.1291 3.1468 4.6620 4.7881 4.8770 5.0216 5.4771 5.4913 5.7350 5.7899 6.6665 6.6824 7.1611 7.2101 8.3283 8.4218 9.7905 9.8575 10.5267 10.7490 k = 0.1196-0.2727-0.1620 ( 4069 PWs) bands (ev): -8.7153 -8.7153 -8.1316 -8.1284 -8.0947 -8.0818 -7.9423 -7.9421 -7.9229 -7.9110 -7.3281 -7.2977 -7.2523 -7.2504 -7.2343 -7.2342 -7.1258 -7.1052 -7.0816 -7.0758 -7.0645 -7.0578 -6.2659 -6.2518 -4.3834 -4.3819 0.9930 1.0175 1.8903 1.9598 2.8937 3.0042 3.1035 3.1159 4.6533 4.7787 4.8353 4.9876 5.4494 5.4660 5.6928 5.7413 6.7080 6.7216 7.2311 7.2821 8.3103 8.4000 9.8741 9.9340 10.4482 10.6584 k = 0.1304-0.2975-0.1768 ( 4068 PWs) bands (ev): -8.6979 -8.6978 -8.1331 -8.1292 -8.0952 -8.0822 -7.9421 -7.9408 -7.9213 -7.9066 -7.3326 -7.2998 -7.2526 -7.2517 -7.2343 -7.2342 -7.1254 -7.1044 -7.0814 -7.0744 -7.0632 -7.0564 -6.2439 -6.2296 -4.3985 -4.3968 0.9561 0.9831 1.8747 1.9448 2.8756 2.9762 3.0837 3.0865 4.6119 4.6872 4.8582 4.9710 5.4214 5.4404 5.6662 5.7060 6.7509 6.7625 7.2997 7.3525 8.2857 8.3706 9.9554 10.0043 10.3739 10.5684 k = 0.1413-0.3223-0.1915 ( 4070 PWs) bands (ev): -8.6793 -8.6792 -8.1347 -8.1300 -8.0956 -8.0827 -7.9420 -7.9393 -7.9193 -7.9017 -7.3372 -7.3023 -7.2529 -7.2529 -7.2343 -7.2341 -7.1249 -7.1037 -7.0812 -7.0729 -7.0615 -7.0550 -6.2204 -6.2061 -4.4153 -4.4134 0.9173 0.9465 1.8599 1.9300 2.8562 2.9433 3.0597 3.0693 4.5487 4.5945 4.8629 4.9584 5.3934 5.4138 5.6588 5.6873 6.7947 6.8045 7.3664 7.4209 8.2541 8.3340 10.0297 10.0592 10.3122 10.4835 k = 0.1522-0.3471-0.2062 ( 4066 PWs) bands (ev): -8.6597 -8.6594 -8.1365 -8.1310 -8.0959 -8.0833 -7.9420 -7.9377 -7.9168 -7.8962 -7.3417 -7.3050 -7.2540 -7.2532 -7.2342 -7.2341 -7.1241 -7.1032 -7.0809 -7.0715 -7.0592 -7.0534 -6.1956 -6.1814 -4.4341 -4.4319 0.8771 0.9083 1.8459 1.9157 2.8342 2.9067 3.0361 3.0587 4.4746 4.5031 4.8483 4.9383 5.3653 5.3857 5.6708 5.6865 6.8389 6.8470 7.4312 7.4872 8.2159 8.2906 10.0789 10.0891 10.2817 10.4108 k = 0.1630-0.3718-0.2210 ( 4068 PWs) bands (ev): -8.6390 -8.6386 -8.1383 -8.1320 -8.0962 -8.0840 -7.9419 -7.9362 -7.9137 -7.8900 -7.3463 -7.3081 -7.2548 -7.2534 -7.2341 -7.2340 -7.1232 -7.1028 -7.0805 -7.0702 -7.0563 -7.0518 -6.1695 -6.1556 -4.4547 -4.4523 0.8360 0.8691 1.8326 1.9021 2.8087 2.8678 3.0159 3.0502 4.3961 4.4137 4.8175 4.9070 5.3369 5.3560 5.6988 5.7019 6.8831 6.8897 7.4937 7.5510 8.1712 8.2411 10.0522 10.1189 10.2932 10.3642 k = 0.1739-0.3966-0.2357 ( 4064 PWs) bands (ev): -8.6175 -8.6169 -8.1403 -8.1331 -8.0964 -8.0848 -7.9419 -7.9349 -7.9098 -7.8832 -7.3507 -7.3114 -7.2556 -7.2537 -7.2339 -7.2339 -7.1222 -7.1025 -7.0800 -7.0690 -7.0528 -7.0500 -6.1424 -6.1288 -4.4774 -4.4747 0.7947 0.8293 1.8198 1.8891 2.7796 2.8274 2.9988 3.0424 4.3165 4.3268 4.7753 4.8657 5.3079 5.3254 5.7297 5.7377 6.9269 6.9320 7.5533 7.6115 8.1206 8.1864 10.0027 10.1058 10.3227 10.3565 k = 0.1848-0.4214-0.2504 ( 4064 PWs) bands (ev): -8.5953 -8.5945 -8.1423 -8.1343 -8.0965 -8.0856 -7.9419 -7.9337 -7.9051 -7.8756 -7.3549 -7.3150 -7.2561 -7.2539 -7.2338 -7.2337 -7.1211 -7.1022 -7.0794 -7.0679 -7.0488 -7.0480 -6.1143 -6.1011 -4.5022 -4.4992 0.7537 0.7895 1.8076 1.8766 2.7474 2.7862 2.9837 3.0342 4.2377 4.2429 4.7262 4.8177 5.2784 5.2942 5.7657 5.7830 6.9697 6.9736 7.6092 7.6676 8.0654 8.1281 9.9503 10.0634 10.3513 10.3738 k = 0.1957-0.4462-0.2652 ( 4054 PWs) bands (ev): -8.5725 -8.5714 -8.1444 -8.1356 -8.0967 -8.0864 -7.9419 -7.9326 -7.8995 -7.8673 -7.3591 -7.3187 -7.2565 -7.2542 -7.2336 -7.2334 -7.1198 -7.1021 -7.0785 -7.0668 -7.0459 -7.0442 -6.0853 -6.0727 -4.5291 -4.5259 0.7134 0.7503 1.7955 1.8645 2.7128 2.7446 2.9694 3.0249 4.1608 4.1623 4.6740 4.7663 5.2485 5.2627 5.8059 5.8310 7.0113 7.0140 7.6596 7.7168 8.0074 8.0690 9.9022 10.0135 10.3730 10.3950 k = 0.2065-0.4710-0.2799 ( 4053 PWs) bands (ev): -8.5492 -8.5479 -8.1465 -8.1370 -8.0967 -8.0872 -7.9418 -7.9318 -7.8929 -7.8580 -7.3630 -7.3225 -7.2569 -7.2545 -7.2335 -7.2331 -7.1185 -7.1020 -7.0774 -7.0657 -7.0436 -7.0391 -6.0555 -6.0436 -4.5583 -4.5547 0.6743 0.7120 1.7834 1.8525 2.6765 2.7030 2.9547 3.0136 4.0850 4.0865 4.6215 4.7144 5.2182 5.2311 5.8475 5.8791 7.0513 7.0528 7.7005 7.7535 7.9508 8.0150 9.8617 9.9666 10.3866 10.4109 k = 0.2174-0.4958-0.2946 ( 4052 PWs) bands (ev): -8.5257 -8.5242 -8.1486 -8.1385 -8.0968 -8.0881 -7.9418 -7.9310 -7.8852 -7.8479 -7.3668 -7.3264 -7.2571 -7.2548 -7.2333 -7.2327 -7.1171 -7.1019 -7.0760 -7.0646 -7.0411 -7.0333 -6.0252 -6.0140 -4.5897 -4.5857 0.6370 0.6752 1.7710 1.8403 2.6392 2.6615 2.9387 3.0001 4.0111 4.0149 4.5710 4.6638 5.1877 5.1995 5.8887 5.9257 7.0893 7.0898 7.7221 7.7656 7.9059 7.9786 9.8304 9.9268 10.3926 10.4193 k = 0.2283-0.5206-0.3094 ( 4055 PWs) bands (ev): -8.5022 -8.5003 -8.1508 -8.1401 -8.0969 -8.0889 -7.9417 -7.9304 -7.8764 -7.8367 -7.3703 -7.3303 -7.2572 -7.2551 -7.2331 -7.2323 -7.1158 -7.1019 -7.0743 -7.0635 -7.0383 -7.0270 -5.9943 -5.9838 -4.6234 -4.6190 0.6016 0.6402 1.7579 1.8275 2.6014 2.6205 2.9210 2.9841 3.9402 3.9463 4.5239 4.6161 5.1573 5.1682 5.9281 5.9695 7.1246 7.1251 7.7071 7.7411 7.8904 7.9722 9.8089 9.8958 10.3921 10.4201 k = 0.2391-0.5454-0.3241 ( 4054 PWs) bands (ev): -8.4788 -8.4766 -8.1529 -8.1418 -8.0969 -8.0897 -7.9416 -7.9299 -7.8664 -7.8244 -7.3737 -7.3342 -7.2573 -7.2554 -7.2329 -7.2318 -7.1145 -7.1019 -7.0724 -7.0623 -7.0351 -7.0200 -5.9630 -5.9534 -4.6594 -4.6545 0.5686 0.6074 1.7439 1.8139 2.5635 2.5800 2.9014 2.9656 3.8723 3.8805 4.4813 4.5723 5.1270 5.1371 5.9650 6.0100 7.1568 7.1581 7.6584 7.6890 7.9020 7.9876 9.7974 9.8739 10.3864 10.4146 k = 0.2500-0.5702-0.3388 ( 4059 PWs) bands (ev): -8.4556 -8.4532 -8.1551 -8.1436 -8.0970 -8.0905 -7.9415 -7.9295 -7.8551 -7.8110 -7.3768 -7.3382 -7.2573 -7.2558 -7.2327 -7.2314 -7.1134 -7.1019 -7.0701 -7.0612 -7.0314 -7.0123 -5.9315 -5.9227 -4.6976 -4.6923 0.5383 0.5769 1.7288 1.7990 2.5259 2.5402 2.8800 2.9448 3.8070 3.8174 4.4438 4.5329 5.0971 5.1065 5.9990 6.0465 7.1859 7.1880 7.5956 7.6256 7.9221 8.0092 9.7950 9.8605 10.3768 10.4043 k = 0.2609-0.5949-0.3536 ( 4057 PWs) bands (ev): -8.4330 -8.4303 -8.1571 -8.1454 -8.0970 -8.0913 -7.9414 -7.9292 -7.8426 -7.7965 -7.3797 -7.3420 -7.2573 -7.2561 -7.2324 -7.2309 -7.1123 -7.1019 -7.0675 -7.0600 -7.0270 -7.0039 -5.8998 -5.8919 -4.7381 -4.7322 0.5106 0.5491 1.7123 1.7826 2.4887 2.5013 2.8570 2.9220 3.7441 3.7570 4.4115 4.4979 5.0676 5.0764 6.0300 6.0791 7.2113 7.2139 7.5297 7.5598 7.9412 8.0296 9.8001 9.8536 10.3650 10.3915 k = 0.2717-0.6197-0.3683 ( 4060 PWs) bands (ev): -8.4111 -8.4081 -8.1592 -8.1474 -8.0971 -8.0920 -7.9413 -7.9290 -7.8287 -7.7808 -7.3824 -7.3458 -7.2573 -7.2565 -7.2321 -7.2304 -7.1113 -7.1020 -7.0648 -7.0588 -7.0219 -6.9947 -5.8682 -5.8611 -4.7807 -4.7742 0.4860 0.5241 1.6942 1.7645 2.4523 2.4633 2.8329 2.8976 3.6838 3.6992 4.3842 4.4671 5.0388 5.0469 6.0581 6.1075 7.2315 7.2339 7.4669 7.4972 7.9562 8.0458 9.8096 9.8499 10.3532 10.3788 k = 0.2826-0.6445-0.3830 ( 4056 PWs) bands (ev): -8.3901 -8.3869 -8.1612 -8.1493 -8.0971 -8.0927 -7.9411 -7.9288 -7.8135 -7.7640 -7.3848 -7.3495 -7.2573 -7.2569 -7.2318 -7.2299 -7.1105 -7.1021 -7.0620 -7.0575 -7.0157 -6.9845 -5.8367 -5.8304 -4.8254 -4.8183 0.4642 0.5019 1.6745 1.7444 2.4167 2.4265 2.8080 2.8721 3.6260 3.6442 4.3612 4.4399 5.0106 5.0181 6.0834 6.1319 7.2437 7.2439 7.4138 7.4427 7.9662 8.0569 9.8191 9.8447 10.3444 10.3700 k = 0.2935-0.6693-0.3978 ( 4056 PWs) bands (ev): -8.3701 -8.3667 -8.1631 -8.1513 -8.0972 -8.0933 -7.9409 -7.9286 -7.7970 -7.7460 -7.3871 -7.3531 -7.2573 -7.2573 -7.2315 -7.2294 -7.1098 -7.1021 -7.0592 -7.0563 -7.0083 -6.9734 -5.8054 -5.8001 -4.8720 -4.8643 0.4455 0.4825 1.6533 1.7225 2.3822 2.3908 2.7827 2.8455 3.5714 3.5924 4.3416 4.4155 4.9833 4.9902 6.1061 6.1522 7.2347 7.2430 7.3807 7.4036 7.9712 8.0628 9.8232 9.8324 10.3421 10.3688 k = 0.3043-0.6941-0.4125 ( 4058 PWs) bands (ev): -8.3512 -8.3477 -8.1650 -8.1533 -8.0972 -8.0939 -7.9407 -7.9286 -7.7792 -7.7272 -7.3891 -7.3565 -7.2577 -7.2573 -7.2311 -7.2290 -7.1092 -7.1022 -7.0565 -7.0550 -6.9995 -6.9612 -5.7746 -5.7701 -4.9205 -4.9120 0.4297 0.4659 1.6306 1.6987 2.3489 2.3565 2.7571 2.8182 3.5206 3.5445 4.3244 4.3929 4.9569 4.9631 6.1264 6.1687 7.2042 7.2249 7.3718 7.3854 7.9715 8.0639 9.8082 9.8162 10.3496 10.3780 k = 0.3152-0.7189-0.4272 ( 4057 PWs) bands (ev): -8.3335 -8.3301 -8.1667 -8.1553 -8.0973 -8.0944 -7.9405 -7.9285 -7.7603 -7.7076 -7.3909 -7.3599 -7.2581 -7.2574 -7.2308 -7.2285 -7.1087 -7.1023 -7.0540 -7.0537 -6.9890 -6.9478 -5.7443 -5.7406 -4.9705 -4.9613 0.4168 0.4520 1.6067 1.6733 2.3168 2.3235 2.7310 2.7899 3.4742 3.5009 4.3086 4.3712 4.9315 4.9370 6.1444 6.1812 7.1639 7.1955 7.3768 7.3834 7.9678 8.0610 9.7696 9.7942 10.3680 10.3977 k = 0.3261-0.7437-0.4419 ( 4060 PWs) bands (ev): -8.3172 -8.3138 -8.1683 -8.1573 -8.0974 -8.0949 -7.9402 -7.9285 -7.7406 -7.6874 -7.3925 -7.3631 -7.2585 -7.2574 -7.2304 -7.2281 -7.1082 -7.1024 -7.0525 -7.0517 -6.9768 -6.9331 -5.7147 -5.7119 -5.0220 -5.0120 0.4066 0.4407 1.5819 1.6467 2.2861 2.2919 2.7042 2.7605 3.4331 3.4626 4.2931 4.3495 4.9072 4.9120 6.1600 6.1901 7.1241 7.1647 7.3866 7.3890 7.9607 8.0548 9.7164 9.7563 10.3956 10.4254 k = 0.3370-0.7685-0.4567 ( 4062 PWs) bands (ev): -8.3022 -8.2990 -8.1699 -8.1593 -8.0975 -8.0954 -7.9399 -7.9286 -7.7201 -7.6669 -7.3938 -7.3662 -7.2590 -7.2575 -7.2300 -7.2277 -7.1078 -7.1024 -7.0512 -7.0496 -6.9628 -6.9171 -5.6859 -5.6840 -5.0746 -5.0638 0.3989 0.4317 1.5568 1.6194 2.2568 2.2618 2.6764 2.7298 3.3981 3.4302 4.2771 4.3269 4.8840 4.8881 6.1732 6.1954 7.0900 7.1386 7.3972 7.3975 7.9510 8.0459 9.6504 9.7037 10.4282 10.4568 k = 0.3478-0.7933-0.4714 ( 4066 PWs) bands (ev): -8.2886 -8.2855 -8.1713 -8.1611 -8.0976 -8.0958 -7.9396 -7.9287 -7.6991 -7.6464 -7.3950 -7.3691 -7.2594 -7.2576 -7.2296 -7.2273 -7.1075 -7.1025 -7.0500 -7.0478 -6.9468 -6.8998 -5.6581 -5.6571 -5.1281 -5.1164 0.3934 0.4249 1.5317 1.5918 2.2291 2.2333 2.6472 2.6975 3.3700 3.4042 4.2597 4.3028 4.8620 4.8654 6.1837 6.1973 7.0639 7.1200 7.4058 7.4082 7.9392 8.0351 9.5740 9.6390 10.4612 10.4876 k = 0.3587-0.8181-0.4861 ( 4068 PWs) bands (ev): -8.2763 -8.2735 -8.1725 -8.1629 -8.0977 -8.0962 -7.9393 -7.9289 -7.6780 -7.6263 -7.3960 -7.3719 -7.2598 -7.2578 -7.2292 -7.2269 -7.1072 -7.1026 -7.0488 -7.0461 -6.9288 -6.8810 -5.6315 -5.6313 -5.1822 -5.1696 0.3900 0.4200 1.5072 1.5645 2.2028 2.2064 2.6163 2.6635 3.3491 3.3851 4.2404 4.2768 4.8413 4.8440 6.1912 6.1961 7.0475 7.1104 7.4138 7.4182 7.9258 8.0230 9.4894 9.5645 10.4906 10.5143 k = 0.3696-0.8428-0.5009 ( 4065 PWs) bands (ev): -8.2653 -8.2628 -8.1736 -8.1646 -8.0979 -8.0966 -7.9389 -7.9291 -7.6570 -7.6068 -7.3968 -7.3745 -7.2602 -7.2580 -7.2288 -7.2266 -7.1069 -7.1027 -7.0476 -7.0447 -6.9087 -6.8608 -5.6069 -5.6061 -5.2365 -5.2229 0.3883 0.4167 1.4838 1.5381 2.1782 2.1811 2.5838 2.6280 3.3357 3.3729 4.2187 4.2486 4.8218 4.8238 6.1924 6.1956 7.0417 7.1102 7.4211 7.4273 7.9113 8.0100 9.3988 9.4826 10.5138 10.5348 k = 0.3804-0.8676-0.5156 ( 4065 PWs) bands (ev): -8.2556 -8.2534 -8.1745 -8.1662 -8.0980 -8.0970 -7.9385 -7.9293 -7.6365 -7.5883 -7.3974 -7.3770 -7.2605 -7.2582 -7.2284 -7.2263 -7.1067 -7.1028 -7.0465 -7.0434 -6.8867 -6.8394 -5.5841 -5.5822 -5.2905 -5.2758 0.3881 0.4146 1.4620 1.5131 2.1552 2.1575 2.5501 2.5912 3.3294 3.3673 4.1946 4.2181 4.8036 4.8050 6.1865 6.1967 7.0469 7.1194 7.4275 7.4356 7.8959 7.9964 9.3041 9.3951 10.5300 10.5484 k = 0.3913-0.8924-0.5303 ( 4068 PWs) bands (ev): -8.2470 -8.2452 -8.1752 -8.1677 -8.0981 -8.0973 -7.9381 -7.9296 -7.6167 -7.5710 -7.3979 -7.3794 -7.2609 -7.2584 -7.2280 -7.2260 -7.1064 -7.1028 -7.0454 -7.0422 -6.8630 -6.8167 -5.5633 -5.5599 -5.3438 -5.3277 0.3890 0.4136 1.4421 1.4899 2.1338 2.1356 2.5155 2.5537 3.3300 3.3679 4.1679 4.1855 4.7868 4.7877 6.1792 6.1948 7.0628 7.1374 7.4330 7.4432 7.8799 7.9825 9.2070 9.3040 10.5394 10.5556 k = 0.4022-0.9172-0.5451 ( 4074 PWs) bands (ev): -8.2396 -8.2381 -8.1758 -8.1690 -8.0983 -8.0976 -7.9377 -7.9299 -7.5979 -7.5553 -7.3982 -7.3816 -7.2612 -7.2587 -7.2276 -7.2258 -7.1062 -7.1029 -7.0443 -7.0413 -6.8377 -6.7932 -5.5450 -5.5396 -5.3957 -5.3775 0.3907 0.4133 1.4247 1.4688 2.1141 2.1154 2.4809 2.5161 3.3367 3.3741 4.1389 4.1510 4.7714 4.7719 6.1711 6.1903 7.0887 7.1633 7.4377 7.4503 7.8634 7.9682 9.1094 9.2110 10.5432 10.5576 k = 0.4130-0.9420-0.5598 ( 4074 PWs) bands (ev): -8.2333 -8.2321 -8.1762 -8.1702 -8.0984 -8.0978 -7.9373 -7.9302 -7.5804 -7.5413 -7.3983 -7.3836 -7.2615 -7.2590 -7.2272 -7.2256 -7.1059 -7.1030 -7.0434 -7.0404 -6.8112 -6.7692 -5.5311 -5.5218 -5.4450 -5.4232 0.3930 0.4134 1.4098 1.4501 2.0961 2.0970 2.4471 2.4794 3.3487 3.3850 4.1080 4.1151 4.7574 4.7575 6.1626 6.1839 7.1235 7.1961 7.4417 7.4572 7.8463 7.9535 9.0132 9.1177 10.5431 10.5557 k = 0.4239-0.9668-0.5745 ( 4079 PWs) bands (ev): -8.2279 -8.2270 -8.1763 -8.1711 -8.0985 -8.0981 -7.9369 -7.9306 -7.5642 -7.5292 -7.3983 -7.3855 -7.2617 -7.2593 -7.2269 -7.2254 -7.1057 -7.1032 -7.0424 -7.0397 -6.7842 -6.7453 -5.5277 -5.5133 -5.4844 -5.4579 0.3956 0.4137 1.3977 1.4339 2.0799 2.0805 2.4150 2.4442 3.3651 3.3997 4.0758 4.0785 4.7448 4.7449 6.1545 6.1761 7.1654 7.2344 7.4454 7.4644 7.8288 7.9378 8.9203 9.0258 10.5402 10.5514 k = 0.4348-0.9916-0.5893 ( 4067 PWs) bands (ev): -8.2235 -8.2229 -8.1764 -8.1720 -8.0986 -8.0983 -7.9364 -7.9309 -7.5496 -7.5190 -7.3981 -7.3872 -7.2618 -7.2597 -7.2266 -7.2253 -7.1055 -7.1033 -7.0416 -7.0392 -6.7572 -6.7220 -5.5468 -5.5439 -5.4834 -5.4690 0.3983 0.4140 1.3883 1.4202 2.0654 2.0658 2.3855 2.4114 3.3848 3.4172 4.0421 4.0429 4.7337 4.7340 6.1470 6.1677 7.2124 7.2764 7.4490 7.4725 7.8107 7.9206 8.8331 8.9370 10.5360 10.5456 k = 0.4457-1.0164-0.6040 ( 4059 PWs) bands (ev): -8.2199 -8.2195 -8.1762 -8.1726 -8.0987 -8.0985 -7.9359 -7.9313 -7.5367 -7.5108 -7.3978 -7.3888 -7.2619 -7.2600 -7.2263 -7.2252 -7.1053 -7.1034 -7.0408 -7.0387 -6.7310 -6.7003 -5.5826 -5.5795 -5.4721 -5.4647 0.4010 0.4142 1.3815 1.4088 2.0528 2.0530 2.3594 2.3817 3.4067 3.4362 4.0068 4.0103 4.7243 4.7246 6.1406 6.1593 7.2616 7.3197 7.4537 7.4825 7.7920 7.9010 8.7544 8.8532 10.5312 10.5393 k = 0.4565-1.0412-0.6187 ( 4053 PWs) bands (ev): -8.2171 -8.2169 -8.1760 -8.1732 -8.0988 -8.0986 -7.9355 -7.9317 -7.5256 -7.5046 -7.3974 -7.3903 -7.2620 -7.2604 -7.2260 -7.2252 -7.1050 -7.1035 -7.0402 -7.0384 -6.7068 -6.6812 -5.6170 -5.6123 -5.4618 -5.4574 0.4036 0.4142 1.3772 1.3995 2.0422 2.0423 2.3375 2.3558 3.4296 3.4553 3.9740 3.9793 4.7165 4.7169 6.1355 6.1513 7.3089 7.3601 7.4615 7.4963 7.7729 7.8778 8.6871 8.7765 10.5267 10.5332 k = 0.4674-1.0659-0.6335 ( 4053 PWs) bands (ev): -8.2151 -8.2150 -8.1757 -8.1736 -8.0989 -8.0987 -7.9350 -7.9322 -7.5163 -7.5004 -7.3969 -7.3916 -7.2620 -7.2607 -7.2258 -7.2252 -7.1048 -7.1037 -7.0396 -7.0383 -6.6854 -6.6655 -5.6453 -5.6406 -5.4535 -5.4508 0.4059 0.4139 1.3750 1.3921 2.0337 2.0338 2.3204 2.3345 3.4517 3.4727 3.9455 3.9513 4.7105 4.7108 6.1319 6.1442 7.3495 7.3909 7.4770 7.5152 7.7547 7.8500 8.6346 8.7092 10.5229 10.5279 k = 0.4783-1.0907-0.6482 ( 4053 PWs) bands (ev): -8.2137 -8.2136 -8.1753 -8.1740 -8.0989 -8.0988 -7.9345 -7.9326 -7.5089 -7.4982 -7.3963 -7.3928 -7.2619 -7.2610 -7.2256 -7.2252 -7.1046 -7.1039 -7.0391 -7.0382 -6.6681 -6.6545 -5.6661 -5.6625 -5.4474 -5.4458 0.4080 0.4133 1.3745 1.3861 2.0275 2.0276 2.3085 2.3181 3.4712 3.4863 3.9233 3.9284 4.7062 4.7065 6.1298 6.1383 7.3791 7.4067 7.5029 7.5376 7.7407 7.8179 8.5997 8.6539 10.5202 10.5235 k = 0.4891-1.1155-0.6629 ( 4056 PWs) bands (ev): -8.2129 -8.2129 -8.1750 -8.1743 -8.0989 -8.0989 -7.9340 -7.9331 -7.5033 -7.4980 -7.3956 -7.3938 -7.2617 -7.2613 -7.2255 -7.2252 -7.1044 -7.1040 -7.0387 -7.0383 -6.6558 -6.6489 -5.6786 -5.6767 -5.4436 -5.4429 0.4098 0.4125 1.3756 1.3815 2.0237 2.0237 2.3023 2.3071 3.4859 3.4938 3.9096 3.9125 4.7037 4.7038 6.1295 6.1338 7.3976 7.4108 7.5315 7.5538 7.7380 7.7836 8.5845 8.6130 10.5188 10.5205 k = 0.5000-1.1403-0.6776 ( 4054 PWs) bands (ev): -8.2126 -8.2126 -8.1746 -8.1746 -8.0989 -8.0989 -7.9336 -7.9336 -7.4997 -7.4997 -7.3947 -7.3947 -7.2615 -7.2615 -7.2253 -7.2253 -7.1042 -7.1042 -7.0384 -7.0384 -6.6493 -6.6493 -5.6821 -5.6821 -5.4421 -5.4421 0.4113 0.4113 1.3780 1.3780 2.0225 2.0225 2.3018 2.3018 3.4938 3.4938 3.9059 3.9059 4.7029 4.7029 6.1308 6.1308 7.4075 7.4075 7.5517 7.5517 7.7536 7.7536 8.5892 8.5892 10.5189 10.5189 k = 0.5000-1.1403-0.6776 ( 4054 PWs) bands (ev): -8.2126 -8.2126 -8.1746 -8.1746 -8.0989 -8.0989 -7.9336 -7.9336 -7.4997 -7.4997 -7.3947 -7.3947 -7.2615 -7.2615 -7.2253 -7.2253 -7.1042 -7.1042 -7.0384 -7.0384 -6.6493 -6.6493 -5.6821 -5.6821 -5.4421 -5.4421 0.4113 0.4113 1.3780 1.3780 2.0225 2.0225 2.3018 2.3018 3.4938 3.4938 3.9059 3.9059 4.7029 4.7029 6.1308 6.1308 7.4075 7.4075 7.5517 7.5517 7.7536 7.7536 8.5892 8.5892 10.5189 10.5189 k = 0.5000-1.1246-0.7041 ( 4056 PWs) bands (ev): -8.2130 -8.2119 -8.1759 -8.1734 -8.0992 -8.0986 -7.9354 -7.9317 -7.5010 -7.4980 -7.3964 -7.3932 -7.2619 -7.2611 -7.2259 -7.2249 -7.1058 -7.1027 -7.0393 -7.0376 -6.6504 -6.6470 -5.6832 -5.6821 -5.4420 -5.4415 0.4085 0.4127 1.3744 1.3787 1.9985 2.0328 2.2839 2.3313 3.4903 3.5054 3.9046 3.9069 4.6968 4.6989 6.1324 6.1408 7.3734 7.3939 7.5325 7.5649 7.7481 7.8032 8.5875 8.6013 10.5185 10.5267 k = 0.5000-1.1089-0.7305 ( 4058 PWs) bands (ev): -8.2132 -8.2108 -8.1771 -8.1721 -8.0995 -8.0983 -7.9373 -7.9298 -7.5019 -7.4958 -7.3980 -7.3918 -7.2622 -7.2607 -7.2265 -7.2246 -7.1073 -7.1013 -7.0402 -7.0369 -6.6504 -6.6437 -5.6853 -5.6832 -5.4411 -5.4402 0.4043 0.4127 1.3680 1.3766 1.9672 2.0252 2.2826 2.3659 3.4946 3.5244 3.9029 3.9079 4.6811 4.6855 6.1454 6.1621 7.3018 7.3371 7.5299 7.5615 7.7890 7.8678 8.5961 8.6231 10.5252 10.5421 k = 0.5000-1.0932-0.7569 ( 4058 PWs) bands (ev): -8.2130 -8.2095 -8.1783 -8.1708 -8.0997 -8.0980 -7.9391 -7.9280 -7.5023 -7.4933 -7.3998 -7.3905 -7.2625 -7.2603 -7.2272 -7.2243 -7.1089 -7.1000 -7.0410 -7.0361 -6.6491 -6.6391 -5.6885 -5.6854 -5.4395 -5.4381 0.3986 0.4112 1.3586 1.3715 1.9337 2.0025 2.2960 2.4013 3.5060 3.5497 3.9002 3.9087 4.6574 4.6645 6.1687 6.1935 7.2109 7.2519 7.5380 7.5605 7.8461 7.9326 8.6144 8.6536 10.5383 10.5647 k = 0.5000-1.0775-0.7834 ( 4064 PWs) bands (ev): -8.2126 -8.2078 -8.1793 -8.1695 -8.0999 -8.0977 -7.9409 -7.9261 -7.5022 -7.4905 -7.4015 -7.3893 -7.2627 -7.2599 -7.2281 -7.2242 -7.1105 -7.0988 -7.0419 -7.0355 -6.6467 -6.6335 -5.6929 -5.6887 -5.4372 -5.4353 0.3912 0.4080 1.3458 1.3630 1.9014 1.9724 2.3179 2.4350 3.5226 3.5794 3.8962 3.9096 4.6279 4.6387 6.2005 6.2337 7.1118 7.1514 7.5511 7.5667 7.9035 7.9922 8.6412 8.6910 10.5566 10.5939 k = 0.5000-1.0618-0.8098 ( 4068 PWs) bands (ev): -8.2120 -8.2060 -8.1803 -8.1683 -8.1000 -8.0974 -7.9427 -7.9242 -7.5017 -7.4873 -7.4033 -7.3882 -7.2629 -7.2594 -7.2290 -7.2242 -7.1120 -7.0978 -7.0427 -7.0349 -6.6430 -6.6267 -5.6983 -5.6931 -5.4342 -5.4319 0.3819 0.4030 1.3298 1.3509 1.8728 1.9412 2.3436 2.4659 3.5422 3.6112 3.8903 3.9102 4.5957 4.6114 6.2383 6.2809 7.0106 7.0429 7.5672 7.5791 7.9561 8.0446 8.6745 8.7330 10.5782 10.6287 k = 0.5000-1.0461-0.8362 ( 4068 PWs) bands (ev): -8.2111 -8.2039 -8.1810 -8.1671 -8.1001 -8.0972 -7.9445 -7.9224 -7.5006 -7.4839 -7.4050 -7.3873 -7.2630 -7.2590 -7.2300 -7.2242 -7.1135 -7.0969 -7.0435 -7.0344 -6.6381 -6.6188 -5.7050 -5.6987 -5.4306 -5.4278 0.3703 0.3957 1.3107 1.3353 1.8494 1.9132 2.3701 2.4936 3.5615 3.6419 3.8825 3.9106 4.5643 4.5861 6.2785 6.3336 6.9121 6.9305 7.5852 7.5967 8.0026 8.0897 8.7120 8.7768 10.6004 10.6665 k = 0.5000-1.0304-0.8626 ( 4070 PWs) bands (ev): -8.2102 -8.2016 -8.1816 -8.1660 -8.1002 -8.0969 -7.9462 -7.9206 -7.4991 -7.4802 -7.4067 -7.3865 -7.2631 -7.2586 -7.2310 -7.2244 -7.1149 -7.0962 -7.0441 -7.0340 -6.6319 -6.6096 -5.7129 -5.7056 -5.4263 -5.4232 0.3563 0.3859 1.2890 1.3165 1.8323 1.8907 2.3963 2.5182 3.5769 3.6672 3.8737 3.9107 4.5374 4.5664 6.3150 6.3901 6.8153 6.8242 7.6053 7.6180 8.0426 8.1278 8.7511 8.8198 10.6193 10.7002 k = 0.5000-1.0147-0.8891 ( 4072 PWs) bands (ev): -8.2091 -8.1993 -8.1818 -8.1649 -8.1002 -8.0967 -7.9479 -7.9188 -7.4972 -7.4764 -7.4083 -7.3859 -7.2632 -7.2581 -7.2321 -7.2247 -7.1163 -7.0956 -7.0447 -7.0337 -6.6243 -6.5994 -5.7221 -5.7138 -5.4214 -5.4180 0.3395 0.3733 1.2659 1.2956 1.8216 1.8747 2.4214 2.5399 3.5846 3.6810 3.8672 3.9108 4.5186 4.5548 6.3364 6.4488 6.7026 6.7556 7.6273 7.6421 8.0762 8.1596 8.7895 8.8596 10.6301 10.7066 k = 0.5000-0.9990-0.9155 ( 4070 PWs) bands (ev): -8.2081 -8.1969 -8.1817 -8.1639 -8.1001 -8.0965 -7.9495 -7.9171 -7.4947 -7.4725 -7.4099 -7.3854 -7.2633 -7.2577 -7.2332 -7.2250 -7.1176 -7.0953 -7.0451 -7.0334 -6.6153 -6.5878 -5.7327 -5.7234 -5.4161 -5.4122 0.3198 0.3576 1.2426 1.2736 1.8172 1.8653 2.4452 2.5591 3.5812 3.6772 3.8673 3.9114 4.5104 4.5528 6.3266 6.5040 6.5963 6.7244 7.6513 7.6681 8.1033 8.1853 8.8257 8.8949 10.6308 10.6893 k = 0.5000-0.9833-0.9419 ( 4064 PWs) bands (ev): -8.2071 -8.1945 -8.1812 -8.1629 -8.1001 -8.0963 -7.9511 -7.9154 -7.4918 -7.4685 -7.4113 -7.3850 -7.2634 -7.2572 -7.2343 -7.2254 -7.1188 -7.0952 -7.0454 -7.0332 -6.6048 -6.5751 -5.7447 -5.7344 -5.4102 -5.4061 0.2972 0.3386 1.2204 1.2520 1.8184 1.8623 2.4676 2.5759 3.5646 3.6542 3.8747 3.9134 4.5140 4.5605 6.2799 6.4659 6.5878 6.7353 7.6769 7.6957 8.1237 8.2049 8.8591 8.9252 10.6247 10.6761 k = 0.5000-0.9676-0.9683 ( 4072 PWs) bands (ev): -8.2063 -8.1922 -8.1801 -8.1620 -8.0999 -8.0962 -7.9527 -7.9138 -7.4885 -7.4645 -7.4125 -7.3848 -7.2635 -7.2568 -7.2353 -7.2259 -7.1199 -7.0953 -7.0456 -7.0331 -6.5929 -6.5611 -5.7582 -5.7468 -5.4040 -5.3996 0.2718 0.3163 1.2003 1.2320 1.8247 1.8650 2.4883 2.5906 3.5349 3.6161 3.8856 3.9180 4.5284 4.5764 6.2092 6.3625 6.6493 6.7753 7.7038 7.7245 8.1372 8.2183 8.8902 8.9514 10.6177 10.6713 k = 0.5000-0.9519-0.9948 ( 4074 PWs) bands (ev): -8.2058 -8.1900 -8.1785 -8.1611 -8.0998 -8.0961 -7.9542 -7.9123 -7.4847 -7.4607 -7.4135 -7.3846 -7.2638 -7.2562 -7.2364 -7.2264 -7.1209 -7.0956 -7.0457 -7.0330 -6.5794 -6.5457 -5.7733 -5.7609 -5.3974 -5.3928 0.2439 0.2911 1.1832 1.2148 1.8353 1.8726 2.5075 2.6034 3.4937 3.5680 3.8957 3.9258 4.5517 4.5982 6.1290 6.2599 6.7149 6.8300 7.7316 7.7541 8.1435 8.2252 8.9202 8.9753 10.6119 10.6735 k = 0.5000-0.9362-1.0212 ( 4074 PWs) bands (ev): -8.2054 -8.1880 -8.1765 -8.1602 -8.0996 -8.0960 -7.9557 -7.9108 -7.4806 -7.4571 -7.4142 -7.3846 -7.2641 -7.2557 -7.2374 -7.2270 -7.1218 -7.0960 -7.0456 -7.0330 -6.5644 -6.5290 -5.7900 -5.7765 -5.3906 -5.3857 0.2140 0.2633 1.1695 1.2008 1.8496 1.8844 2.5248 2.6142 3.4438 3.5138 3.9033 3.9364 4.5807 4.6230 6.0481 6.1624 6.7806 6.8910 7.7599 7.7841 8.1431 8.2257 8.9506 8.9994 10.6043 10.6793 k = 0.5000-0.9205-1.0476 ( 4078 PWs) bands (ev): -8.2053 -8.1861 -8.1741 -8.1593 -8.0994 -8.0960 -7.9570 -7.9094 -7.4761 -7.4538 -7.4146 -7.3847 -7.2645 -7.2551 -7.2383 -7.2276 -7.1227 -7.0965 -7.0455 -7.0330 -6.5477 -6.5109 -5.8084 -5.7939 -5.3836 -5.3786 0.1825 0.2334 1.1594 1.1904 1.8671 1.8999 2.5401 2.6230 3.3883 3.4564 3.9090 3.9482 4.6122 4.6481 5.9715 6.0715 6.8449 6.9536 7.7877 7.8137 8.1368 8.2208 8.9831 9.0260 10.5889 10.6834 k = 0.5000-0.9048-1.0740 ( 4072 PWs) bands (ev): -8.2053 -8.1844 -8.1715 -8.1584 -8.0992 -8.0959 -7.9583 -7.9081 -7.4713 -7.4509 -7.4147 -7.3848 -7.2651 -7.2544 -7.2392 -7.2282 -7.1234 -7.0971 -7.0452 -7.0330 -6.5293 -6.4913 -5.8285 -5.8129 -5.3766 -5.3714 0.1503 0.2023 1.1527 1.1835 1.8873 1.9185 2.5532 2.6295 3.3298 3.3977 3.9138 3.9599 4.6426 4.6710 5.9024 5.9888 6.9063 7.0150 7.8141 7.8417 8.1271 8.2121 9.0189 9.0570 10.5610 10.6771 k = 0.5000-0.8891-1.1005 ( 4078 PWs) bands (ev): -8.2055 -8.1828 -8.1689 -8.1574 -8.0991 -8.0959 -7.9596 -7.9070 -7.4663 -7.4485 -7.4144 -7.3849 -7.2658 -7.2537 -7.2399 -7.2289 -7.1241 -7.0978 -7.0449 -7.0331 -6.5092 -6.4703 -5.8505 -5.8338 -5.3696 -5.3643 0.1181 0.1707 1.1491 1.1800 1.9098 1.9396 2.5637 2.6337 3.2705 3.3397 3.9181 3.9709 4.6680 4.6903 5.8434 5.9159 6.9634 7.0727 7.8375 7.8662 8.1174 8.2024 9.0586 9.0937 10.5202 10.6517 k = 0.5000-0.8733-1.1269 ( 4076 PWs) bands (ev): -8.2057 -8.1813 -8.1662 -8.1564 -8.0990 -8.0958 -7.9607 -7.9059 -7.4611 -7.4466 -7.4138 -7.3851 -7.2666 -7.2530 -7.2406 -7.2295 -7.1247 -7.0986 -7.0446 -7.0332 -6.4873 -6.4477 -5.8743 -5.8564 -5.3627 -5.3573 0.0865 0.1395 1.1481 1.1793 1.9342 1.9630 2.5712 2.6352 3.2125 3.2836 3.9222 3.9812 4.6831 4.7064 5.7963 5.8544 7.0151 7.1250 7.8559 7.8843 8.1124 8.1953 9.1024 9.1360 10.4691 10.6056 k = 0.5000-0.8576-1.1533 ( 4080 PWs) bands (ev): -8.2060 -8.1800 -8.1636 -8.1554 -8.0989 -8.0957 -7.9618 -7.9049 -7.4558 -7.4452 -7.4129 -7.3853 -7.2675 -7.2523 -7.2412 -7.2302 -7.1253 -7.0993 -7.0442 -7.0333 -6.4636 -6.4236 -5.8999 -5.8809 -5.3560 -5.3505 0.0563 0.1093 1.1492 1.1810 1.9603 1.9881 2.5752 2.6337 3.1571 3.2308 3.9263 3.9908 4.6856 4.7184 5.7621 5.8059 7.0601 7.1704 7.8675 7.8939 8.1163 8.1942 9.1500 9.1836 10.4111 10.5439 k = 0.5000-0.8419-1.1797 ( 4084 PWs) bands (ev): -8.2064 -8.1789 -8.1612 -8.1543 -8.0990 -8.0956 -7.9628 -7.9040 -7.4506 -7.4441 -7.4118 -7.3854 -7.2685 -7.2516 -7.2416 -7.2309 -7.1257 -7.1000 -7.0438 -7.0333 -6.4381 -6.3978 -5.9274 -5.9071 -5.3497 -5.3442 0.0281 0.0808 1.1519 1.1845 1.9878 2.0146 2.5753 2.6290 3.1059 3.1823 3.9308 3.9999 4.6770 4.7228 5.7408 5.7718 7.0974 7.2074 7.8718 7.8955 8.1304 8.2011 9.2008 9.2349 10.3494 10.4726 k = 0.5000-0.8262-1.2062 ( 4086 PWs) bands (ev): -8.2067 -8.1780 -8.1590 -8.1531 -8.0991 -8.0954 -7.9636 -7.9033 -7.4463 -7.4425 -7.4108 -7.3856 -7.2694 -7.2509 -7.2420 -7.2315 -7.1262 -7.1006 -7.0435 -7.0334 -6.4107 -6.3705 -5.9568 -5.9352 -5.3439 -5.3382 0.0023 0.0547 1.1556 1.1893 2.0163 2.0420 2.5711 2.6209 3.0599 3.1392 3.9356 4.0087 4.6589 4.7179 5.7308 5.7529 7.1265 7.2353 7.8701 7.8928 8.1519 8.2159 9.2538 9.2884 10.2864 10.3957 k = 0.5000-0.8105-1.2326 ( 4078 PWs) bands (ev): -8.2070 -8.1774 -8.1570 -8.1519 -8.0993 -8.0952 -7.9644 -7.9026 -7.4446 -7.4387 -7.4098 -7.3857 -7.2703 -7.2504 -7.2422 -7.2321 -7.1265 -7.1012 -7.0432 -7.0334 -6.3815 -6.3414 -5.9879 -5.9650 -5.3386 -5.3329 -0.0206 0.0314 1.1597 1.1947 2.0456 2.0700 2.5623 2.6092 3.0201 3.1021 3.9412 4.0172 4.6333 4.7035 5.7298 5.7495 7.1471 7.2539 7.8658 7.8896 8.1766 8.2368 9.3075 9.3419 10.2240 10.3161 k = 0.5000-0.7948-1.2590 ( 4088 PWs) bands (ev): -8.2073 -8.1769 -8.1554 -8.1508 -8.0995 -8.0951 -7.9650 -7.9021 -7.4444 -7.4339 -7.4092 -7.3858 -7.2712 -7.2500 -7.2423 -7.2326 -7.1268 -7.1016 -7.0429 -7.0335 -6.3505 -6.3107 -6.0207 -5.9965 -5.3339 -5.3282 -0.0401 0.0115 1.1639 1.2002 2.0755 2.0982 2.5488 2.5940 2.9873 3.0719 3.9477 4.0256 4.6022 4.6810 5.7370 5.7590 7.1597 7.2636 7.8624 7.8886 8.2011 8.2610 9.3602 9.3931 10.1635 10.2355 k = 0.5000-0.7791-1.2854 ( 4092 PWs) bands (ev): -8.2076 -8.1766 -8.1540 -8.1498 -8.0997 -8.0949 -7.9655 -7.9017 -7.4445 -7.4293 -7.4087 -7.3858 -7.2720 -7.2497 -7.2423 -7.2330 -7.1271 -7.1020 -7.0427 -7.0335 -6.3178 -6.2784 -6.0551 -6.0296 -5.3300 -5.3244 -0.0560 -0.0049 1.1677 1.2054 2.1055 2.1261 2.5307 2.5753 2.9623 3.0488 3.9550 4.0339 4.5676 4.6519 5.7522 5.7774 7.1650 7.2654 7.8618 7.8911 8.2227 8.2858 9.4099 9.4398 10.1061 10.1555 k = 0.5000-0.7634-1.3119 ( 4088 PWs) bands (ev): -8.2077 -8.1765 -8.1529 -8.1489 -8.0998 -8.0948 -7.9659 -7.9014 -7.4448 -7.4252 -7.4086 -7.3858 -7.2727 -7.2495 -7.2422 -7.2334 -7.1273 -7.1023 -7.0425 -7.0335 -6.2835 -6.2445 -6.0908 -6.0642 -5.3271 -5.3214 -0.0681 -0.0174 1.1708 1.2097 2.1354 2.1531 2.5085 2.5536 2.9454 3.0333 3.9631 4.0418 4.5317 4.6186 5.7746 5.8018 7.1643 7.2610 7.8651 7.8977 8.2398 8.3087 9.4549 9.4802 10.0517 10.0770 k = 0.5000-0.7477-1.3383 ( 4090 PWs) bands (ev): -8.2079 -8.1765 -8.1520 -8.1482 -8.1000 -8.0948 -7.9662 -7.9012 -7.4453 -7.4220 -7.4085 -7.3858 -7.2732 -7.2494 -7.2421 -7.2337 -7.1275 -7.1025 -7.0424 -7.0334 -6.2483 -6.2092 -6.1271 -6.0999 -5.3251 -5.3193 -0.0763 -0.0258 1.1731 1.2130 2.1645 2.1787 2.4832 2.5295 2.9369 3.0255 3.9715 4.0488 4.4962 4.5834 5.8025 5.8302 7.1591 7.2521 7.8721 7.9086 8.2512 8.3276 9.4936 9.5131 9.9977 10.0031 k = 0.5000-0.7320-1.3647 ( 4088 PWs) bands (ev): -8.2079 -8.1767 -8.1515 -8.1479 -8.1001 -8.0947 -7.9664 -7.9012 -7.4460 -7.4200 -7.4082 -7.3858 -7.2736 -7.2494 -7.2419 -7.2338 -7.1276 -7.1026 -7.0423 -7.0334 -6.2164 -6.1747 -6.1596 -6.1346 -5.3241 -5.3184 -0.0803 -0.0300 1.1743 1.2148 2.1917 2.2018 2.4563 2.5042 2.9368 3.0254 3.9795 4.0538 4.4632 4.5486 5.8343 5.8612 7.1506 7.2404 7.8827 7.9234 8.2561 8.3411 9.5249 9.5389 9.9259 9.9513 k = 0.5000-0.7163-1.3912 ( 4090 PWs) bands (ev): -8.2079 -8.1770 -8.1512 -8.1479 -8.1001 -8.0947 -7.9664 -7.9012 -7.4469 -7.4197 -7.4074 -7.3857 -7.2738 -7.2495 -7.2418 -7.2338 -7.1276 -7.1026 -7.0423 -7.0334 -6.2205 -6.1809 -6.1560 -6.1278 -5.3244 -5.3187 -0.0803 -0.0300 1.1745 1.2152 2.2148 2.2208 2.4306 2.4797 2.9450 3.0328 3.9858 4.0552 4.4348 4.5167 5.8687 5.8936 7.1402 7.2272 7.8965 7.9417 8.2540 8.3480 9.5485 9.5588 9.8551 9.9019 k = 0.5000-0.7006-1.4176 ( 4080 PWs) bands (ev): -8.2078 -8.1774 -8.1511 -8.1483 -8.1001 -8.0948 -7.9663 -7.9013 -7.4481 -7.4211 -7.4063 -7.3855 -7.2739 -7.2496 -7.2417 -7.2337 -7.1276 -7.1025 -7.0424 -7.0334 -6.2569 -6.2187 -6.1192 -6.0889 -5.3259 -5.3202 -0.0762 -0.0257 1.1737 1.2142 2.2293 2.2327 2.4114 2.4596 2.9611 3.0476 3.9886 4.0512 4.4131 4.4906 5.9045 5.9266 7.1286 7.2136 7.9133 7.9632 8.2448 8.3476 9.5651 9.5736 9.7883 9.8514 k = 0.8234-0.6328-1.2930 ( 4080 PWs) bands (ev): -8.2078 -8.1774 -8.1511 -8.1483 -8.1001 -8.0948 -7.9663 -7.9013 -7.4481 -7.4211 -7.4063 -7.3855 -7.2739 -7.2496 -7.2417 -7.2337 -7.1276 -7.1025 -7.0424 -7.0334 -6.2569 -6.2187 -6.1192 -6.0889 -5.3259 -5.3202 -0.0762 -0.0257 1.1737 1.2142 2.2293 2.2327 2.4114 2.4596 2.9611 3.0476 3.9886 4.0512 4.4131 4.4906 5.9045 5.9266 7.1286 7.2136 7.9133 7.9632 8.2448 8.3476 9.5651 9.5736 9.7883 9.8514 k = 0.8171-0.6183-1.2664 ( 4086 PWs) bands (ev): -8.2076 -8.1780 -8.1514 -8.1490 -8.0999 -8.0949 -7.9662 -7.9016 -7.4496 -7.4238 -7.4053 -7.3852 -7.2737 -7.2497 -7.2417 -7.2335 -7.1275 -7.1023 -7.0425 -7.0334 -6.2982 -6.2591 -6.0766 -6.0467 -5.3287 -5.3231 -0.0680 -0.0171 1.1721 1.2119 2.2288 2.2333 2.4060 2.4484 2.9849 3.0693 3.9861 4.0399 4.3998 4.4730 5.9410 5.9596 7.1165 7.2001 7.9330 7.9879 8.2288 8.3395 9.5771 9.5806 9.7291 9.7987 k = 0.8107-0.6039-1.2399 ( 4086 PWs) bands (ev): -8.2074 -8.1787 -8.1520 -8.1500 -8.0998 -8.0950 -7.9659 -7.9019 -7.4518 -7.4274 -7.4048 -7.3849 -7.2733 -7.2498 -7.2417 -7.2332 -7.1274 -7.1021 -7.0426 -7.0335 -6.3411 -6.3003 -6.0317 -6.0028 -5.3330 -5.3274 -0.0558 -0.0044 1.1701 1.2086 2.2102 2.2203 2.4176 2.4498 3.0154 3.0976 3.9764 4.0205 4.3963 4.4661 5.9771 5.9920 7.1044 7.1871 7.9555 8.0152 8.2067 8.3241 9.5670 9.5894 9.6877 9.7444 k = 0.8044-0.5894-1.2133 ( 4088 PWs) bands (ev): -8.2070 -8.1797 -8.1532 -8.1511 -8.0995 -8.0952 -7.9655 -7.9023 -7.4547 -7.4316 -7.4047 -7.3844 -7.2728 -7.2499 -7.2417 -7.2329 -7.1272 -7.1018 -7.0428 -7.0336 -6.3847 -6.3421 -5.9850 -5.9573 -5.3387 -5.3331 -0.0399 0.0123 1.1678 1.2047 2.1789 2.1951 2.4415 2.4631 3.0522 3.1318 3.9588 3.9937 4.4027 4.4704 6.0117 6.0233 7.0924 7.1748 7.9809 8.0450 8.1795 8.3017 9.5272 9.6004 9.6656 9.6972 k = 0.7981-0.5750-1.1867 ( 4086 PWs) bands (ev): -8.2065 -8.1809 -8.1552 -8.1520 -8.0993 -8.0953 -7.9650 -7.9027 -7.4589 -7.4363 -7.4052 -7.3839 -7.2721 -7.2500 -7.2417 -7.2326 -7.1269 -7.1015 -7.0430 -7.0338 -6.4287 -6.3840 -5.9367 -5.9105 -5.3460 -5.3404 -0.0204 0.0329 1.1656 1.2004 2.1411 2.1616 2.4725 2.4848 3.0943 3.1714 3.9343 3.9611 4.4181 4.4849 6.0436 6.0535 7.0807 7.1631 8.0092 8.0758 8.1494 8.2736 9.4718 9.6059 9.6246 9.6913 k = 0.7917-0.5605-1.1601 ( 4088 PWs) bands (ev): -8.2059 -8.1824 -8.1578 -8.1528 -8.0990 -8.0955 -7.9645 -7.9033 -7.4646 -7.4412 -7.4062 -7.3834 -7.2712 -7.2500 -7.2417 -7.2322 -7.1266 -7.1011 -7.0432 -7.0341 -6.4727 -6.4259 -5.8872 -5.8624 -5.3547 -5.3492 0.0025 0.0571 1.1640 1.1964 2.1004 2.1236 2.5072 2.5117 3.1410 3.2157 3.9045 3.9247 4.4415 4.5078 6.0716 6.0825 7.0695 7.1521 8.0403 8.0956 8.1287 8.2413 9.4122 9.5550 9.6295 9.7037 k = 0.7854-0.5460-1.1336 ( 4092 PWs) bands (ev): -8.2052 -8.1844 -8.1610 -8.1536 -8.0987 -8.0957 -7.9638 -7.9039 -7.4720 -7.4464 -7.4076 -7.3827 -7.2702 -7.2500 -7.2417 -7.2319 -7.1262 -7.1008 -7.0435 -7.0344 -6.5164 -6.4675 -5.8364 -5.8132 -5.3649 -5.3596 0.0284 0.0845 1.1632 1.1930 2.0587 2.0837 2.5417 2.5441 3.1915 3.2642 3.8717 3.8866 4.4712 4.5369 6.0951 6.1094 7.0591 7.1418 8.0697 8.0744 8.1489 8.2097 9.3530 9.4944 9.6444 9.7212 k = 0.7790-0.5316-1.1070 ( 4084 PWs) bands (ev): -8.2044 -8.1868 -8.1647 -8.1542 -8.0984 -8.0958 -7.9631 -7.9045 -7.4812 -7.4522 -7.4092 -7.3820 -7.2691 -7.2500 -7.2416 -7.2317 -7.1258 -7.1004 -7.0438 -7.0349 -6.5596 -6.5086 -5.7846 -5.7631 -5.3766 -5.3714 0.0570 0.1150 1.1635 1.1907 2.0174 2.0435 2.5734 2.5819 3.2451 3.3162 3.8379 3.8489 4.5059 4.5708 6.1141 6.1330 7.0498 7.1321 8.0339 8.1096 8.1482 8.2076 9.2970 9.4343 9.6609 9.7411 k = 0.7727-0.5171-1.0804 ( 4076 PWs) bands (ev): -8.2035 -8.1898 -8.1689 -8.1548 -8.0982 -8.0959 -7.9624 -7.9052 -7.4921 -7.4590 -7.4107 -7.3811 -7.2679 -7.2500 -7.2414 -7.2314 -7.1254 -7.0999 -7.0441 -7.0354 -6.6019 -6.5488 -5.7320 -5.7124 -5.3897 -5.3845 0.0880 0.1480 1.1654 1.1900 1.9774 2.0044 2.6055 2.6199 3.3007 3.3711 3.8051 3.8141 4.5444 4.6080 6.1282 6.1522 7.0420 7.1232 7.9971 8.1104 8.1498 8.2390 9.2463 9.3768 9.6783 9.7624 k = 0.7664-0.5026-1.0538 ( 4070 PWs) bands (ev): -8.2025 -8.1935 -8.1738 -8.1552 -8.0981 -8.0958 -7.9616 -7.9060 -7.5046 -7.4672 -7.4121 -7.3802 -7.2667 -7.2499 -7.2413 -7.2313 -7.1249 -7.0995 -7.0444 -7.0360 -6.6431 -6.5879 -5.6789 -5.6615 -5.4039 -5.3987 0.1208 0.1831 1.1690 1.1913 1.9393 1.9672 2.6372 2.6571 3.3572 3.4278 3.7750 3.7847 4.5857 4.6476 6.1370 6.1662 7.0361 7.1151 7.9611 8.0703 8.1876 8.2738 9.2032 9.3236 9.6961 9.7845 k = 0.7600-0.4882-1.0273 ( 4078 PWs) bands (ev): -8.2013 -8.1978 -8.1792 -8.1554 -8.0982 -8.0956 -7.9608 -7.9068 -7.5185 -7.4770 -7.4131 -7.3790 -7.2655 -7.2498 -7.2411 -7.2311 -7.1243 -7.0991 -7.0448 -7.0367 -6.6829 -6.6257 -5.6259 -5.6114 -5.4189 -5.4130 0.1551 0.2198 1.1746 1.1953 1.9037 1.9325 2.6674 2.6927 3.4126 3.4850 3.7505 3.7635 4.6288 4.6886 6.1400 6.1743 7.0325 7.1080 7.9267 8.0289 8.2254 8.3059 9.1704 9.2769 9.7140 9.8066 k = 0.7537-0.4737-1.0007 ( 4074 PWs) bands (ev): -8.2030 -8.2000 -8.1853 -8.1554 -8.0983 -8.0954 -7.9599 -7.9076 -7.5338 -7.4886 -7.4138 -7.3778 -7.2644 -7.2497 -7.2408 -7.2311 -7.1238 -7.0987 -7.0452 -7.0375 -6.7209 -6.6621 -5.5747 -5.5642 -5.4336 -5.4249 0.1904 0.2576 1.1825 1.2023 1.8709 1.9009 2.6954 2.7261 3.4639 3.5399 3.7356 3.7542 4.6730 4.7305 6.1368 6.1759 7.0315 7.1019 7.8945 7.9883 8.2606 8.3324 9.1506 9.2389 9.7316 9.8285 k = 0.7473-0.4593-0.9741 ( 4084 PWs) bands (ev): -8.2089 -8.1987 -8.1921 -8.1552 -8.0984 -8.0951 -7.9590 -7.9084 -7.5505 -7.5020 -7.4141 -7.3764 -7.2633 -7.2496 -7.2405 -7.2310 -7.1232 -7.0983 -7.0457 -7.0384 -6.7570 -6.6967 -5.5334 -5.5248 -5.4432 -5.4263 0.2261 0.2957 1.1931 1.2128 1.8414 1.8727 2.7205 2.7563 3.5072 3.5869 3.7366 3.7619 4.7177 4.7726 6.1273 6.1710 7.0333 7.0970 7.8646 7.9494 8.2907 8.3517 9.1463 9.2126 9.7487 9.8497 k = 0.7410-0.4448-0.9475 ( 4078 PWs) bands (ev): -8.2156 -8.2002 -8.1967 -8.1548 -8.0986 -8.0948 -7.9582 -7.9093 -7.5684 -7.5171 -7.4141 -7.3748 -7.2623 -7.2495 -7.2402 -7.2310 -7.1227 -7.0979 -7.0462 -7.0393 -6.7910 -6.7295 -5.5211 -5.5076 -5.4279 -5.4038 0.2616 0.3336 1.2069 1.2271 1.8152 1.8480 2.7423 2.7829 3.5396 3.6188 3.7614 3.7903 4.7622 4.8144 6.1116 6.1596 7.0376 7.0932 7.8367 7.9128 8.3128 8.3637 9.1582 9.2010 9.7652 9.8701 k = 0.7346-0.4303-0.9210 ( 4074 PWs) bands (ev): -8.2233 -8.2084 -8.1953 -8.1542 -8.0988 -8.0945 -7.9573 -7.9102 -7.5873 -7.5340 -7.4137 -7.3732 -7.2614 -7.2494 -7.2399 -7.2311 -7.1221 -7.0976 -7.0467 -7.0404 -6.8228 -6.7603 -5.5312 -5.5190 -5.3839 -5.3615 0.2966 0.3707 1.2242 1.2453 1.7926 1.8268 2.7605 2.8056 3.5634 3.6373 3.8088 3.8374 4.8059 4.8553 6.0899 6.1420 7.0441 7.0905 7.8100 7.8790 8.3239 8.3705 9.1828 9.2097 9.7809 9.8894 k = 0.7283-0.4159-0.8944 ( 4074 PWs) bands (ev): -8.2320 -8.2178 -8.1936 -8.1535 -8.0990 -8.0942 -7.9564 -7.9111 -7.6072 -7.5523 -7.4131 -7.3713 -7.2606 -7.2493 -7.2395 -7.2312 -7.1215 -7.0973 -7.0473 -7.0415 -6.8521 -6.7891 -5.5502 -5.5398 -5.3316 -5.3118 0.3305 0.4064 1.2457 1.2673 1.7736 1.8091 2.7756 2.8245 3.5843 3.6526 3.8694 3.8969 4.8482 4.8951 6.0627 6.1188 7.0524 7.0888 7.7835 7.8483 8.3237 8.3744 9.2117 9.2465 9.7958 9.9078 k = 0.7220-0.4014-0.8678 ( 4080 PWs) bands (ev): -8.2417 -8.2281 -8.1917 -8.1527 -8.0992 -8.0938 -7.9555 -7.9121 -7.6277 -7.5720 -7.4122 -7.3694 -7.2600 -7.2492 -7.2391 -7.2313 -7.1209 -7.0970 -7.0479 -7.0427 -6.8790 -6.8158 -5.5732 -5.5640 -5.2774 -5.2596 0.3632 0.4401 1.2715 1.2930 1.7586 1.7947 2.7883 2.8404 3.6069 3.6706 3.9369 3.9634 4.8884 4.9331 6.0307 6.0905 7.0617 7.0882 7.7560 7.8205 8.3158 8.3756 9.2495 9.3038 9.8100 9.9252 k = 0.7156-0.3869-0.8413 ( 4082 PWs) bands (ev): -8.2524 -8.2396 -8.1898 -8.1517 -8.0994 -8.0935 -7.9546 -7.9130 -7.6488 -7.5927 -7.4110 -7.3673 -7.2594 -7.2491 -7.2388 -7.2315 -7.1204 -7.0968 -7.0485 -7.0440 -6.9036 -6.8404 -5.5985 -5.5902 -5.2227 -5.2065 0.3943 0.4718 1.3015 1.3217 1.7477 1.7835 2.7997 2.8542 3.6335 3.6934 4.0084 4.0338 4.9260 4.9694 5.9944 6.0581 7.0711 7.0890 7.7266 7.7947 8.3051 8.3746 9.3003 9.3737 9.8237 9.9418 k = 0.7093-0.3725-0.8147 ( 4074 PWs) bands (ev): -8.2643 -8.2522 -8.1877 -8.1506 -8.0995 -8.0932 -7.9538 -7.9139 -7.6701 -7.6141 -7.4096 -7.3650 -7.2590 -7.2491 -7.2384 -7.2317 -7.1198 -7.0966 -7.0492 -7.0454 -6.9257 -6.8631 -5.6254 -5.6178 -5.1682 -5.1533 0.4238 0.5014 1.3352 1.3524 1.7416 1.7757 2.8111 2.8673 3.6645 3.7214 4.0823 4.1067 4.9604 5.0034 5.9548 6.0221 7.0791 7.0926 7.6950 7.7693 8.2949 8.3733 9.3630 9.4526 9.8370 9.9577 k = 0.7029-0.3580-0.7881 ( 4070 PWs) bands (ev): -8.2774 -8.2660 -8.1855 -8.1494 -8.0996 -8.0929 -7.9529 -7.9149 -7.6915 -7.6360 -7.4080 -7.3627 -7.2586 -7.2490 -7.2380 -7.2319 -7.1193 -7.0964 -7.0499 -7.0468 -6.9457 -6.8838 -5.6536 -5.6467 -5.1142 -5.1005 0.4520 0.5289 1.3711 1.3834 1.7412 1.7721 2.8240 2.8812 3.6999 3.7540 4.1577 4.1809 4.9910 5.0350 5.9126 5.9836 7.0838 7.1001 7.6612 7.7429 8.2876 8.3733 9.4357 9.5384 9.8502 9.9732 k = 0.6966-0.3436-0.7615 ( 4070 PWs) bands (ev): -8.2917 -8.2811 -8.1832 -8.1482 -8.0997 -8.0926 -7.9521 -7.9158 -7.7125 -7.6581 -7.4062 -7.3601 -7.2584 -7.2491 -7.2377 -7.2321 -7.1188 -7.0963 -7.0507 -7.0482 -6.9635 -6.9027 -5.6829 -5.6764 -5.0609 -5.0483 0.4791 0.5549 1.4064 1.4128 1.7481 1.7741 2.8397 2.8972 3.7388 3.7906 4.2339 4.2558 5.0175 5.0640 5.8685 5.9431 7.0869 7.1099 7.6252 7.7145 8.2844 8.3762 9.5164 9.6292 9.8636 9.9885 k = 0.6903-0.3291-0.7350 ( 4066 PWs) bands (ev): -8.3073 -8.2975 -8.1808 -8.1469 -8.0997 -8.0923 -7.9513 -7.9168 -7.7330 -7.6799 -7.4041 -7.3575 -7.2582 -7.2491 -7.2373 -7.2323 -7.1183 -7.0963 -7.0516 -7.0496 -6.9793 -6.9199 -5.7130 -5.7070 -5.0086 -4.9970 0.5056 0.5800 1.4335 1.4423 1.7639 1.7846 2.8593 2.9164 3.7805 3.8305 4.3103 4.3310 5.0396 5.0897 5.8235 5.9015 7.0894 7.1201 7.5874 7.6835 8.2859 8.3826 9.6036 9.7230 9.8781 10.0038 k = 0.6839-0.3146-0.7084 ( 4068 PWs) bands (ev): -8.3242 -8.3152 -8.1783 -8.1456 -8.0997 -8.0920 -7.9506 -7.9177 -7.7528 -7.7013 -7.4019 -7.3547 -7.2581 -7.2492 -7.2370 -7.2325 -7.1179 -7.0963 -7.0526 -7.0509 -6.9933 -6.9355 -5.7438 -5.7383 -4.9575 -4.9467 0.5318 0.6046 1.4497 1.4680 1.7890 1.8077 2.8836 2.9396 3.8243 3.8730 4.3866 4.4060 5.0574 5.1119 5.7783 5.8596 7.0916 7.1298 7.5484 7.6501 8.2917 8.3926 9.6957 9.8156 9.8969 10.0194 k = 0.6776-0.3002-0.6818 ( 4076 PWs) bands (ev): -8.3423 -8.3341 -8.1758 -8.1442 -8.0997 -8.0917 -7.9498 -7.9187 -7.7716 -7.7219 -7.3994 -7.3518 -7.2581 -7.2493 -7.2367 -7.2327 -7.1175 -7.0964 -7.0537 -7.0521 -7.0057 -6.9496 -5.7752 -5.7700 -4.9077 -4.8977 0.5584 0.6294 1.4570 1.4841 1.8243 1.8452 2.9132 2.9676 3.8695 3.9173 4.4623 4.4805 5.0706 5.1300 5.7340 5.8181 7.0931 7.1381 7.5090 7.6150 8.3013 8.4056 9.7912 9.8822 9.9436 10.0360 k = 0.6712-0.2857-0.6552 ( 4070 PWs) bands (ev): -8.3616 -8.3543 -8.1731 -8.1428 -8.0997 -8.0914 -7.9491 -7.9197 -7.7894 -7.7417 -7.3967 -7.3488 -7.2581 -7.2495 -7.2364 -7.2329 -7.1171 -7.0966 -7.0551 -7.0532 -7.0166 -6.9624 -5.8070 -5.8021 -4.8594 -4.8501 0.5857 0.6551 1.4566 1.4893 1.8705 1.8949 2.9482 3.0005 3.9155 3.9628 4.5370 4.5540 5.0795 5.1434 5.6917 5.7779 7.0931 7.1438 7.4706 7.5790 8.3138 8.4207 9.8851 9.9118 10.0269 10.0591 k = 0.6649-0.2712-0.6287 ( 4066 PWs) bands (ev): -8.3820 -8.3755 -8.1705 -8.1415 -8.0996 -8.0910 -7.9484 -7.9206 -7.8059 -7.7603 -7.3939 -7.3456 -7.2581 -7.2497 -7.2362 -7.2331 -7.1168 -7.0968 -7.0566 -7.0542 -7.0261 -6.9739 -5.8392 -5.8344 -4.8127 -4.8041 0.6142 0.6822 1.4501 1.4853 1.9268 1.9535 2.9885 3.0385 3.9617 4.0092 4.6104 4.6262 5.0839 5.1515 5.6524 5.7398 7.0907 7.1452 7.4346 7.5429 8.3281 8.4370 9.9204 9.9931 10.0642 10.1374 k = 0.6585-0.2568-0.6021 ( 4062 PWs) bands (ev): -8.4034 -8.3978 -8.1677 -8.1401 -8.0994 -8.0907 -7.9478 -7.9216 -7.8212 -7.7778 -7.3908 -7.3424 -7.2582 -7.2499 -7.2359 -7.2333 -7.1166 -7.0971 -7.0582 -7.0551 -7.0344 -6.9844 -5.8716 -5.8668 -4.7677 -4.7598 0.6443 0.7111 1.4392 1.4744 1.9907 2.0186 3.0338 3.0813 4.0078 4.0559 4.6819 4.6965 5.0840 5.1539 5.6176 5.7050 7.0850 7.1403 7.4027 7.5078 8.3434 8.4536 9.9373 10.0734 10.1031 10.2339 k = 0.6522-0.2423-0.5755 ( 4062 PWs) bands (ev): -8.4257 -8.4208 -8.1650 -8.1389 -8.0993 -8.0902 -7.9472 -7.9226 -7.8353 -7.7941 -7.3875 -7.3390 -7.2582 -7.2502 -7.2357 -7.2334 -7.1165 -7.0974 -7.0597 -7.0561 -7.0415 -6.9938 -5.9041 -5.8992 -4.7246 -4.7174 0.6761 0.7421 1.4256 1.4590 2.0601 2.0882 3.0837 3.1286 4.0534 4.1026 4.7512 4.7646 5.0798 5.1505 5.5883 5.6745 7.0748 7.1274 7.3762 7.4744 8.3588 8.4697 9.9537 10.0962 10.1992 10.3288 k = 0.6459-0.2278-0.5489 ( 4062 PWs) bands (ev): -8.4486 -8.4445 -8.1622 -8.1376 -8.0991 -8.0898 -7.9466 -7.9235 -7.8480 -7.8090 -7.3839 -7.3356 -7.2583 -7.2505 -7.2356 -7.2336 -7.1164 -7.0979 -7.0613 -7.0571 -7.0476 -7.0024 -5.9366 -5.9314 -4.6835 -4.6768 0.7098 0.7752 1.4104 1.4408 2.1332 2.1610 3.1374 3.1798 4.0982 4.1488 4.8175 4.8294 5.0715 5.1417 5.5655 5.6495 7.0594 7.1058 7.3547 7.4429 8.3737 8.4849 9.9706 10.1148 10.2981 10.4199 k = 0.6395-0.2134-0.5224 ( 4060 PWs) bands (ev): -8.4721 -8.4686 -8.1594 -8.1364 -8.0989 -8.0893 -7.9461 -7.9245 -7.8596 -7.8228 -7.3802 -7.3321 -7.2583 -7.2507 -7.2354 -7.2338 -7.1165 -7.0983 -7.0629 -7.0583 -7.0526 -7.0101 -5.9690 -5.9634 -4.6445 -4.6383 0.7452 0.8105 1.3949 1.4216 2.2084 2.2356 3.1941 3.2343 4.1420 4.1942 4.8792 4.8897 5.0598 5.1297 5.5496 5.6313 7.0383 7.0767 7.3362 7.4133 8.3877 8.4988 9.9881 10.1333 10.3931 10.5061 k = 0.6332-0.1989-0.4958 ( 4056 PWs) bands (ev): -8.4958 -8.4930 -8.1566 -8.1353 -8.0987 -8.0888 -7.9456 -7.9256 -7.8699 -7.8353 -7.3763 -7.3285 -7.2582 -7.2510 -7.2353 -7.2339 -7.1167 -7.0988 -7.0646 -7.0600 -7.0562 -7.0171 -6.0010 -5.9950 -4.6075 -4.6018 0.7819 0.8476 1.3803 1.4026 2.2847 2.3113 3.2528 3.2913 4.1845 4.2384 4.9321 4.9423 5.0481 5.1197 5.5405 5.6207 7.0111 7.0425 7.3177 7.3848 8.4006 8.5110 10.0063 10.1520 10.4798 10.5878 k = 0.6268-0.1845-0.4692 ( 4054 PWs) bands (ev): -8.5197 -8.5174 -8.1538 -8.1342 -8.0984 -8.0882 -7.9451 -7.9266 -7.8792 -7.8468 -7.3721 -7.3250 -7.2581 -7.2513 -7.2352 -7.2341 -7.1169 -7.0993 -7.0663 -7.0625 -7.0583 -7.0234 -6.0327 -6.0261 -4.5727 -4.5674 0.8193 0.8856 1.3680 1.3856 2.3612 2.3871 3.3125 3.3497 4.2258 4.2811 4.9661 4.9731 5.0523 5.1216 5.5381 5.6183 6.9782 7.0056 7.2964 7.3560 8.4122 8.5216 10.0252 10.1710 10.5531 10.6661 k = 0.6205-0.1700-0.4426 ( 4060 PWs) bands (ev): -8.5436 -8.5417 -8.1511 -8.1332 -8.0982 -8.0876 -7.9447 -7.9277 -7.8873 -7.8571 -7.3678 -7.3214 -7.2579 -7.2515 -7.2351 -7.2342 -7.1173 -7.0998 -7.0680 -7.0650 -7.0596 -7.0291 -6.0638 -6.0567 -4.5400 -4.5352 0.8561 0.9234 1.3597 1.3725 2.4371 2.4624 3.3718 3.4085 4.2657 4.3216 4.9655 4.9740 5.0896 5.1445 5.5422 5.6241 6.9405 6.9674 7.2702 7.3253 8.4224 8.5304 10.0446 10.1899 10.6099 10.7383 k = 0.6141-0.1555-0.4161 ( 4068 PWs) bands (ev): -8.5672 -8.5657 -8.1484 -8.1323 -8.0979 -8.0870 -7.9443 -7.9289 -7.8945 -7.8665 -7.3633 -7.3179 -7.2576 -7.2517 -7.2350 -7.2344 -7.1178 -7.1003 -7.0698 -7.0672 -7.0606 -7.0342 -6.0943 -6.0866 -4.5095 -4.5050 0.8908 0.9587 1.3574 1.3656 2.5117 2.5364 3.4292 3.4662 4.3044 4.3593 4.9430 4.9626 5.1386 5.1827 5.5529 5.6378 6.8993 6.9286 7.2383 7.2909 8.4309 8.5370 10.0642 10.2086 10.6510 10.7947 k = 0.6078-0.1411-0.3895 ( 4074 PWs) bands (ev): -8.5904 -8.5891 -8.1458 -8.1315 -8.0976 -8.0863 -7.9439 -7.9302 -7.9008 -7.8750 -7.3587 -7.3145 -7.2571 -7.2519 -7.2349 -7.2345 -7.1183 -7.1009 -7.0717 -7.0691 -7.0615 -7.0388 -6.1240 -6.1158 -4.4812 -4.4771 0.9212 0.9890 1.3634 1.3683 2.5844 2.6086 3.4831 3.5215 4.3421 4.3933 4.9188 4.9434 5.1883 5.2262 5.5703 5.6589 6.8563 6.8893 7.2004 7.2516 8.4372 8.5410 10.0836 10.2265 10.6795 10.8254 k = 0.6015-0.1266-0.3629 ( 4074 PWs) bands (ev): -8.6130 -8.6119 -8.1433 -8.1307 -8.0973 -8.0857 -7.9436 -7.9315 -7.9061 -7.8827 -7.3539 -7.3112 -7.2564 -7.2521 -7.2348 -7.2347 -7.1189 -7.1014 -7.0733 -7.0707 -7.0623 -7.0428 -6.1528 -6.1441 -4.4549 -4.4512 0.9453 1.0111 1.3798 1.3838 2.6547 2.6784 3.5317 3.5726 4.3787 4.4227 4.8982 4.9229 5.2363 5.2702 5.5945 5.6870 6.8124 6.8496 7.1565 7.2066 8.4406 8.5418 10.1022 10.2429 10.6986 10.8345 k = 0.5951-0.1121-0.3363 ( 4074 PWs) bands (ev): -8.6349 -8.6340 -8.1408 -8.1300 -8.0969 -8.0850 -7.9433 -7.9330 -7.9106 -7.8896 -7.3491 -7.3082 -7.2556 -7.2522 -7.2348 -7.2347 -7.1195 -7.1019 -7.0748 -7.0722 -7.0631 -7.0464 -6.1806 -6.1715 -4.4308 -4.4274 0.9616 1.0234 1.4084 1.4136 2.7219 2.7452 3.5731 3.6174 4.4136 4.4466 4.8843 4.9055 5.2821 5.3127 5.6254 5.7216 6.7682 6.8099 7.1073 7.1559 8.4401 8.5385 10.1192 10.2571 10.7116 10.8329 k = 0.5888-0.0977-0.3098 ( 4074 PWs) bands (ev): -8.6559 -8.6551 -8.1385 -8.1293 -8.0965 -8.0844 -7.9431 -7.9346 -7.9143 -7.8958 -7.3441 -7.3053 -7.2546 -7.2521 -7.2349 -7.2347 -7.1201 -7.1025 -7.0760 -7.0736 -7.0639 -7.0495 -6.2073 -6.1978 -4.4087 -4.4056 0.9703 1.0265 1.4492 1.4570 2.7856 2.8086 3.6054 3.6539 4.4435 4.4670 4.8769 4.8980 5.3251 5.3530 5.6628 5.7624 6.7241 6.7708 7.0533 7.1000 8.4347 8.5301 10.1339 10.2682 10.7213 10.8263 k = 0.5824-0.0832-0.2832 ( 4076 PWs) bands (ev): -8.6759 -8.6751 -8.1364 -8.1287 -8.0960 -8.0839 -7.9429 -7.9363 -7.9174 -7.9013 -7.3391 -7.3027 -7.2536 -7.2519 -7.2350 -7.2346 -7.1207 -7.1032 -7.0771 -7.0749 -7.0646 -7.0522 -6.2327 -6.2230 -4.3886 -4.3858 0.9724 1.0225 1.5008 1.5120 2.8454 2.8680 3.6272 3.6801 4.4598 4.4915 4.8736 4.9077 5.3652 5.3906 5.7062 5.8090 6.6802 6.7325 6.9956 7.0396 8.4235 8.5157 10.1451 10.2751 10.7294 10.8164 k = 0.5761-0.0688-0.2566 ( 4082 PWs) bands (ev): -8.6949 -8.6941 -8.1344 -8.1281 -8.0955 -8.0834 -7.9428 -7.9381 -7.9198 -7.9063 -7.3342 -7.3003 -7.2528 -7.2513 -7.2351 -7.2345 -7.1212 -7.1040 -7.0780 -7.0762 -7.0652 -7.0545 -6.2568 -6.2469 -4.3704 -4.3678 0.9696 1.0138 1.5614 1.5758 2.9008 2.9232 3.6375 3.6943 4.4650 4.5175 4.8790 4.9333 5.4022 5.4257 5.7551 5.8607 6.6366 6.6956 6.9353 6.9756 8.4057 8.4944 10.1519 10.2765 10.7368 10.8048 k = 0.5698-0.0543-0.2300 ( 4084 PWs) bands (ev): -8.7126 -8.7118 -8.1326 -8.1276 -8.0949 -8.0829 -7.9428 -7.9397 -7.9218 -7.9107 -7.3293 -7.2983 -7.2523 -7.2500 -7.2352 -7.2344 -7.1216 -7.1048 -7.0788 -7.0773 -7.0657 -7.0565 -6.2794 -6.2696 -4.3540 -4.3517 0.9637 1.0024 1.6290 1.6463 2.9515 2.9738 3.6363 3.6953 4.4660 4.5381 4.8977 4.9718 5.4359 5.4583 5.8085 5.9168 6.5931 6.6603 6.8738 6.9094 8.3807 8.4659 10.1536 10.2711 10.7433 10.7947 k = 0.5634-0.0398-0.2035 ( 4090 PWs) bands (ev): -8.7290 -8.7283 -8.1310 -8.1271 -8.0942 -8.0826 -7.9430 -7.9412 -7.9234 -7.9146 -7.3245 -7.2966 -7.2519 -7.2485 -7.2352 -7.2342 -7.1219 -7.1058 -7.0795 -7.0783 -7.0662 -7.0582 -6.3004 -6.2907 -4.3394 -4.3373 0.9560 0.9898 1.7017 1.7216 2.9969 3.0195 3.6241 3.6832 4.4662 4.5512 4.9310 5.0204 5.4665 5.4885 5.8655 5.9760 6.5494 6.6269 6.8124 6.8422 8.3488 8.4301 10.1496 10.2580 10.7479 10.7906 k = 0.5571-0.0254-0.1769 ( 4084 PWs) bands (ev): -8.7441 -8.7434 -8.1295 -8.1267 -8.0934 -8.0823 -7.9436 -7.9422 -7.9247 -7.9180 -7.3199 -7.2952 -7.2514 -7.2470 -7.2352 -7.2341 -7.1221 -7.1069 -7.0801 -7.0792 -7.0666 -7.0597 -6.3197 -6.3104 -4.3264 -4.3246 0.9474 0.9767 1.7783 1.8001 3.0368 3.0598 3.6021 3.6588 4.4673 4.5573 4.9775 5.0766 5.4941 5.5166 5.9243 6.0369 6.5052 6.5956 6.7529 6.7761 8.3104 8.3875 10.1401 10.2374 10.7515 10.7933 k = 0.5507-0.0109-0.1503 ( 4090 PWs) bands (ev): -8.7578 -8.7571 -8.1283 -8.1263 -8.0926 -8.0822 -7.9446 -7.9426 -7.9258 -7.9209 -7.3156 -7.2940 -7.2508 -7.2456 -7.2350 -7.2339 -7.1222 -7.1081 -7.0806 -7.0800 -7.0669 -7.0609 -6.3372 -6.3284 -4.3151 -4.3134 0.9387 0.9639 1.8571 1.8806 3.0705 3.0945 3.5725 3.6244 4.4699 4.5582 5.0340 5.1381 5.5192 5.5427 5.9828 6.0971 6.4601 6.5658 6.6963 6.7148 8.2666 8.3390 10.1259 10.2109 10.7565 10.7996 k = 0.5444 0.0036-0.1237 ( 4094 PWs) bands (ev): -8.7699 -8.7693 -8.1273 -8.1259 -8.0917 -8.0821 -7.9455 -7.9430 -7.9267 -7.9233 -7.3116 -7.2932 -7.2501 -7.2444 -7.2348 -7.2337 -7.1222 -7.1093 -7.0810 -7.0806 -7.0672 -7.0620 -6.3529 -6.3446 -4.3052 -4.3038 0.9303 0.9518 1.9369 1.9616 3.0973 3.1231 3.5377 3.5825 4.4739 4.5558 5.0971 5.2024 5.5425 5.5674 6.0378 6.1526 6.4151 6.5356 6.6442 6.6636 8.2189 8.2860 10.1083 10.1806 10.7636 10.8066 k = 0.5381 0.0180-0.0972 ( 4092 PWs) bands (ev): -8.7805 -8.7800 -8.1264 -8.1255 -8.0907 -8.0822 -7.9464 -7.9435 -7.9274 -7.9253 -7.3079 -7.2926 -7.2493 -7.2435 -7.2344 -7.2335 -7.1220 -7.1106 -7.0814 -7.0811 -7.0673 -7.0630 -6.3665 -6.3591 -4.2969 -4.2956 0.9227 0.9407 2.0162 2.0414 3.1163 3.1446 3.5007 3.5367 4.4790 4.5516 5.1631 5.2668 5.5653 5.5912 6.0849 6.1951 6.3752 6.5013 6.6036 6.6253 8.1693 8.2303 10.0890 10.1488 10.7723 10.8126 k = 0.5317 0.0325-0.0706 ( 4092 PWs) bands (ev): -8.7895 -8.7891 -8.1257 -8.1252 -8.0898 -8.0824 -7.9470 -7.9441 -7.9281 -7.9268 -7.3046 -7.2922 -7.2484 -7.2429 -7.2340 -7.2333 -7.1217 -7.1120 -7.0817 -7.0815 -7.0674 -7.0638 -6.3781 -6.3716 -4.2899 -4.2888 0.9162 0.9309 2.0930 2.1181 3.1267 3.1579 3.4651 3.4910 4.4848 4.5463 5.2290 5.3276 5.5893 5.6149 6.1182 6.2072 6.3549 6.4627 6.5815 6.6000 8.1204 8.1743 10.0697 10.1178 10.7815 10.8170 k = 0.5254 0.0470-0.0440 ( 4092 PWs) bands (ev): -8.7970 -8.7966 -8.1252 -8.1250 -8.0888 -8.0827 -7.9474 -7.9447 -7.9286 -7.9280 -7.3018 -7.2921 -7.2474 -7.2426 -7.2335 -7.2331 -7.1213 -7.1133 -7.0819 -7.0818 -7.0673 -7.0645 -6.3875 -6.3821 -4.2842 -4.2834 0.9108 0.9224 2.1652 2.1889 3.1282 3.1614 3.4344 3.4501 4.4909 4.5406 5.2914 5.3799 5.6171 5.6396 6.1312 6.1803 6.3604 6.4276 6.5763 6.5882 8.0750 8.1206 10.0523 10.0895 10.7901 10.8197 k = 0.5190 0.0614-0.0174 ( 4096 PWs) bands (ev): -8.8027 -8.8025 -8.1249 -8.1247 -8.0878 -8.0832 -7.9476 -7.9453 -7.9290 -7.9288 -7.2993 -7.2923 -7.2464 -7.2426 -7.2330 -7.2328 -7.1207 -7.1146 -7.0821 -7.0821 -7.0672 -7.0651 -6.3948 -6.3906 -4.2798 -4.2792 0.9068 0.9154 2.2297 2.2505 3.1224 3.1545 3.4111 3.4184 4.4972 4.5346 5.3469 5.4190 5.6501 5.6659 6.1211 6.1354 6.3720 6.4036 6.5828 6.5886 8.0363 8.0724 10.0380 10.0651 10.7979 10.8206 k = 0.5127 0.0759 0.0091 ( 4102 PWs) bands (ev): -8.8069 -8.8067 -8.1246 -8.1246 -8.0868 -8.0837 -7.9476 -7.9460 -7.9294 -7.9293 -7.2973 -7.2927 -7.2455 -7.2429 -7.2327 -7.2326 -7.1200 -7.1159 -7.0822 -7.0822 -7.0671 -7.0657 -6.3997 -6.3969 -4.2767 -4.2763 0.9043 0.9100 2.2825 2.2985 3.1135 3.1393 3.3958 3.3980 4.5035 4.5284 5.3920 5.4423 5.6860 5.6932 6.0902 6.0946 6.3789 6.3909 6.5943 6.5962 8.0076 8.0327 10.0282 10.0458 10.8045 10.8199 k = 0.5063 0.0903 0.0357 ( 4102 PWs) bands (ev): -8.8093 -8.8093 -8.1245 -8.1245 -8.0859 -8.0844 -7.9474 -7.9466 -7.9296 -7.9295 -7.2956 -7.2933 -7.2446 -7.2433 -7.2325 -7.2325 -7.1191 -7.1171 -7.0823 -7.0823 -7.0668 -7.0661 -6.4024 -6.4010 -4.2748 -4.2746 0.9033 0.9061 2.3192 2.3279 3.1077 3.1222 3.3873 3.3876 4.5098 4.5223 5.4247 5.4502 5.7155 5.7168 6.0578 6.0649 6.3816 6.3852 6.6043 6.6045 7.9918 8.0047 10.0236 10.0323 10.8100 10.8178 k = 0.5000 0.1048 0.0623 ( 4098 PWs) bands (ev): -8.8101 -8.8101 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1181 -7.1181 -7.0823 -7.0823 -7.0665 -7.0665 -6.4028 -6.4028 -4.2741 -4.2741 0.9039 0.9039 2.3351 2.3351 3.1103 3.1103 3.3846 3.3846 4.5161 4.5161 5.4441 5.4441 5.7271 5.7271 6.0487 6.0487 6.3829 6.3829 6.6080 6.6080 7.9907 7.9907 10.0249 10.0249 10.8145 10.8145 k = 0.5000 0.1048 0.0623 ( 4098 PWs) bands (ev): -8.8101 -8.8101 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1181 -7.1181 -7.0823 -7.0823 -7.0665 -7.0665 -6.4028 -6.4028 -4.2741 -4.2741 0.9039 0.9039 2.3351 2.3351 3.1103 3.1103 3.3846 3.3846 4.5161 4.5161 5.4441 5.4441 5.7271 5.7271 6.0487 6.0487 6.3829 6.3829 6.6080 6.6080 7.9907 7.9907 10.0249 10.0249 10.8145 10.8145 k = 0.4706 0.0986 0.0586 ( 4104 PWs) bands (ev): -8.8101 -8.8101 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1181 -7.1181 -7.0823 -7.0823 -7.0665 -7.0665 -6.4027 -6.4027 -4.2744 -4.2744 0.9059 0.9059 2.3331 2.3331 3.1104 3.1104 3.3846 3.3846 4.5133 4.5133 5.4442 5.4442 5.7271 5.7272 6.0518 6.0518 6.3829 6.3829 6.6078 6.6078 7.9926 7.9926 10.0187 10.0187 10.8179 10.8179 k = 0.4412 0.0925 0.0550 ( 4102 PWs) bands (ev): -8.8102 -8.8102 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1182 -7.1182 -7.0823 -7.0823 -7.0665 -7.0665 -6.4022 -6.4022 -4.2753 -4.2753 0.9118 0.9118 2.3272 2.3272 3.1108 3.1108 3.3846 3.3846 4.5052 4.5052 5.4445 5.4445 5.7274 5.7274 6.0610 6.0610 6.3827 6.3827 6.6073 6.6073 7.9984 7.9984 10.0007 10.0007 10.8279 10.8279 k = 0.4118 0.0863 0.0513 ( 4090 PWs) bands (ev): -8.8102 -8.8102 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1182 -7.1182 -7.0823 -7.0823 -7.0665 -7.0665 -6.4015 -6.4015 -4.2768 -4.2768 0.9215 0.9215 2.3175 2.3175 3.1113 3.1113 3.3846 3.3846 4.4922 4.4922 5.4450 5.4450 5.7278 5.7279 6.0757 6.0757 6.3826 6.3826 6.6063 6.6064 8.0081 8.0081 9.9720 9.9720 10.8435 10.8435 k = 0.3824 0.0801 0.0476 ( 4087 PWs) bands (ev): -8.8103 -8.8103 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2440 -7.2440 -7.2324 -7.2324 -7.1183 -7.1183 -7.0823 -7.0823 -7.0665 -7.0665 -6.4005 -6.4005 -4.2789 -4.2789 0.9349 0.9349 2.3040 2.3040 3.1121 3.1121 3.3846 3.3846 4.4751 4.4751 5.4456 5.4456 5.7284 5.7284 6.0950 6.0950 6.3825 6.3825 6.6051 6.6052 8.0215 8.0215 9.9341 9.9341 10.8636 10.8636 k = 0.3529 0.0740 0.0440 ( 4093 PWs) bands (ev): -8.8104 -8.8104 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2440 -7.2440 -7.2324 -7.2324 -7.1183 -7.1183 -7.0823 -7.0823 -7.0666 -7.0666 -6.3993 -6.3993 -4.2814 -4.2814 0.9517 0.9517 2.2871 2.2871 3.1131 3.1131 3.3846 3.3846 4.4548 4.4548 5.4464 5.4464 5.7291 5.7292 6.1177 6.1177 6.3826 6.3826 6.6036 6.6037 8.0387 8.0387 9.8888 9.8888 10.8867 10.8867 k = 0.3235 0.0678 0.0403 ( 4093 PWs) bands (ev): -8.8105 -8.8105 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2441 -7.2441 -7.2324 -7.2324 -7.1184 -7.1184 -7.0823 -7.0823 -7.0666 -7.0666 -6.3978 -6.3978 -4.2842 -4.2842 0.9716 0.9716 2.2671 2.2671 3.1141 3.1141 3.3846 3.3846 4.4323 4.4323 5.4473 5.4473 5.7299 5.7300 6.1426 6.1426 6.3830 6.3830 6.6019 6.6020 8.0595 8.0595 9.8378 9.8378 10.9120 10.9120 k = 0.2941 0.0616 0.0366 ( 4090 PWs) bands (ev): -8.8106 -8.8106 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2442 -7.2442 -7.2324 -7.2324 -7.1185 -7.1185 -7.0823 -7.0823 -7.0666 -7.0666 -6.3963 -6.3963 -4.2874 -4.2874 0.9941 0.9941 2.2443 2.2443 3.1153 3.1153 3.3846 3.3846 4.4086 4.4086 5.4482 5.4482 5.7308 5.7309 6.1683 6.1683 6.3840 6.3840 6.6000 6.6001 8.0837 8.0837 9.7825 9.7825 10.9382 10.9382 k = 0.2647 0.0555 0.0330 ( 4096 PWs) bands (ev): -8.8108 -8.8108 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2442 -7.2442 -7.2324 -7.2324 -7.1186 -7.1186 -7.0823 -7.0823 -7.0666 -7.0666 -6.3946 -6.3946 -4.2907 -4.2907 1.0189 1.0189 2.2192 2.2192 3.1165 3.1165 3.3846 3.3846 4.3846 4.3846 5.4492 5.4492 5.7317 5.7318 6.1936 6.1936 6.3858 6.3858 6.5980 6.5981 8.1109 8.1109 9.7246 9.7246 10.9648 10.9648 k = 0.2353 0.0493 0.0293 ( 4087 PWs) bands (ev): -8.8109 -8.8109 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2443 -7.2443 -7.2324 -7.2324 -7.1187 -7.1187 -7.0823 -7.0823 -7.0666 -7.0666 -6.3930 -6.3930 -4.2941 -4.2941 1.0452 1.0452 2.1925 2.1925 3.1177 3.1177 3.3846 3.3846 4.3611 4.3611 5.4502 5.4502 5.7327 5.7328 6.2173 6.2173 6.3886 6.3886 6.5959 6.5960 8.1406 8.1406 9.6655 9.6655 10.9908 10.9908 k = 0.2059 0.0432 0.0256 ( 4078 PWs) bands (ev): -8.8110 -8.8110 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2444 -7.2444 -7.2324 -7.2324 -7.1188 -7.1188 -7.0823 -7.0823 -7.0667 -7.0667 -6.3913 -6.3913 -4.2974 -4.2974 1.0723 1.0723 2.1649 2.1649 3.1189 3.1189 3.3846 3.3846 4.3389 4.3389 5.4512 5.4512 5.7337 5.7338 6.2382 6.2382 6.3928 6.3928 6.5939 6.5940 8.1721 8.1721 9.6066 9.6066 11.0157 11.0157 k = 0.1765 0.0370 0.0220 ( 4066 PWs) bands (ev): -8.8111 -8.8111 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2444 -7.2444 -7.2324 -7.2324 -7.1189 -7.1189 -7.0823 -7.0823 -7.0667 -7.0667 -6.3898 -6.3898 -4.3006 -4.3006 1.0994 1.0994 2.1373 2.1373 3.1199 3.1199 3.3846 3.3846 4.3186 4.3186 5.4522 5.4522 5.7346 5.7347 6.2556 6.2556 6.3984 6.3984 6.5920 6.5921 8.2045 8.2045 9.5495 9.5495 11.0389 11.0389 k = 0.1471 0.0308 0.0183 ( 4060 PWs) bands (ev): -8.8113 -8.8113 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2445 -7.2445 -7.2324 -7.2324 -7.1189 -7.1189 -7.0823 -7.0823 -7.0667 -7.0667 -6.3883 -6.3883 -4.3035 -4.3035 1.1255 1.1255 2.1107 2.1107 3.1209 3.1209 3.3846 3.3846 4.3007 4.3007 5.4530 5.4530 5.7354 5.7355 6.2692 6.2692 6.4050 6.4050 6.5903 6.5904 8.2367 8.2367 9.4959 9.4959 11.0596 11.0596 k = 0.1176 0.0247 0.0147 ( 4066 PWs) bands (ev): -8.8113 -8.8113 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2445 -7.2445 -7.2324 -7.2324 -7.1190 -7.1190 -7.0823 -7.0823 -7.0667 -7.0667 -6.3871 -6.3871 -4.3060 -4.3060 1.1494 1.1494 2.0863 2.0863 3.1218 3.1218 3.3846 3.3846 4.2855 4.2855 5.4538 5.4538 5.7362 5.7362 6.2791 6.2791 6.4122 6.4122 6.5888 6.5888 8.2670 8.2670 9.4476 9.4476 11.0773 11.0773 k = 0.0882 0.0185 0.0110 ( 4072 PWs) bands (ev): -8.8114 -8.8114 -8.1244 -8.1244 -8.0852 -8.0852 -7.9471 -7.9471 -7.9296 -7.9296 -7.2944 -7.2944 -7.2446 -7.2446 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3861 -6.3861 -4.3080 -4.3080 1.1698 1.1698 2.0654 2.0654 3.1224 3.1224 3.3846 3.3846 4.2734 4.2734 5.4544 5.4544 5.7368 5.7368 6.2860 6.2860 6.4190 6.4190 6.5875 6.5876 8.2936 8.2936 9.4067 9.4067 11.0917 11.0917 k = 0.0588 0.0123 0.0073 ( 4072 PWs) bands (ev): -8.8115 -8.8115 -8.1244 -8.1244 -8.0852 -8.0852 -7.9472 -7.9472 -7.9296 -7.9296 -7.2944 -7.2944 -7.2446 -7.2446 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3853 -6.3853 -4.3095 -4.3095 1.1856 1.1856 2.0493 2.0493 3.1229 3.1229 3.3846 3.3846 4.2647 4.2647 5.4548 5.4548 5.7372 5.7372 6.2903 6.2903 6.4245 6.4245 6.5866 6.5867 8.3146 8.3146 9.3754 9.3754 11.1022 11.1022 k = 0.0294 0.0062 0.0037 ( 4078 PWs) bands (ev): -8.8115 -8.8115 -8.1244 -8.1244 -8.0852 -8.0852 -7.9472 -7.9472 -7.9296 -7.9296 -7.2944 -7.2944 -7.2446 -7.2446 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3848 -6.3848 -4.3104 -4.3104 1.1956 1.1956 2.0391 2.0391 3.1232 3.1232 3.3846 3.3846 4.2593 4.2593 5.4551 5.4551 5.7375 5.7375 6.2927 6.2927 6.4281 6.4281 6.5861 6.5861 8.3281 8.3281 9.3557 9.3557 11.1086 11.1086 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.8115 -8.8115 -8.1244 -8.1244 -8.0852 -8.0852 -7.9472 -7.9472 -7.9296 -7.9296 -7.2944 -7.2944 -7.2447 -7.2447 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3847 -6.3847 -4.3107 -4.3107 1.1990 1.1990 2.0356 2.0356 3.1233 3.1233 3.3846 3.3846 4.2576 4.2576 5.4552 5.4552 5.7376 5.7376 6.2935 6.2935 6.4293 6.4293 6.5859 6.5859 8.3328 8.3328 9.3489 9.3489 11.1108 11.1108 k = 0.0000 0.0000 0.0000 ( 4075 PWs) bands (ev): -8.8115 -8.8115 -8.1244 -8.1244 -8.0852 -8.0852 -7.9472 -7.9472 -7.9296 -7.9296 -7.2944 -7.2944 -7.2447 -7.2447 -7.2324 -7.2324 -7.1191 -7.1191 -7.0823 -7.0823 -7.0667 -7.0667 -6.3847 -6.3847 -4.3107 -4.3107 1.1990 1.1990 2.0356 2.0356 3.1233 3.1233 3.3846 3.3846 4.2576 4.2576 5.4552 5.4552 5.7376 5.7376 6.2935 6.2935 6.4293 6.4293 6.5859 6.5859 8.3328 8.3328 9.3489 9.3489 11.1108 11.1108 k = 0.0064-0.0146-0.0267 ( 4063 PWs) bands (ev): -8.8107 -8.8107 -8.1245 -8.1245 -8.0861 -8.0843 -7.9476 -7.9466 -7.9296 -7.9295 -7.2958 -7.2933 -7.2454 -7.2441 -7.2325 -7.2325 -7.1204 -7.1178 -7.0823 -7.0823 -7.0671 -7.0663 -6.3845 -6.3826 -4.3114 -4.3112 1.1966 1.1984 2.0292 2.0396 3.1113 3.1298 3.3799 3.3801 4.2608 4.2725 5.4457 5.4540 5.7304 5.7307 6.2552 6.3070 6.4088 6.4583 6.5982 6.6001 8.3255 8.3458 9.3462 9.3617 11.0800 11.1326 k = 0.0128-0.0291-0.0535 ( 4059 PWs) bands (ev): -8.8082 -8.8081 -8.1246 -8.1246 -8.0871 -8.0835 -7.9479 -7.9460 -7.9294 -7.9293 -7.2975 -7.2925 -7.2462 -7.2437 -7.2326 -7.2326 -7.1216 -7.1164 -7.0823 -7.0822 -7.0673 -7.0658 -6.3820 -6.3782 -4.3131 -4.3129 1.1909 1.1946 2.0206 2.0412 3.0941 3.1307 3.3661 3.3673 4.2816 4.3042 5.4249 5.4421 5.7099 5.7119 6.2073 6.2792 6.4179 6.4792 6.6313 6.6417 8.3237 8.3633 9.3541 9.3845 11.0414 11.1438 k = 0.0191-0.0437-0.0802 ( 4061 PWs) bands (ev): -8.8039 -8.8038 -8.1249 -8.1248 -8.0881 -8.0828 -7.9480 -7.9453 -7.9290 -7.9288 -7.2996 -7.2920 -7.2470 -7.2435 -7.2328 -7.2328 -7.1227 -7.1150 -7.0822 -7.0821 -7.0674 -7.0653 -6.3772 -6.3715 -4.3161 -4.3157 1.1820 1.1876 2.0101 2.0404 3.0726 3.1265 3.3447 3.3480 4.3179 4.3501 5.3916 5.4184 5.6796 5.6857 6.1537 6.2300 6.4398 6.4958 6.6805 6.7013 8.3265 8.3836 9.3731 9.4171 10.9955 11.1421 k = 0.0255-0.0582-0.1070 ( 4061 PWs) bands (ev): -8.7980 -8.7979 -8.1253 -8.1250 -8.0891 -8.0823 -7.9479 -7.9447 -7.9286 -7.9280 -7.3021 -7.2918 -7.2479 -7.2436 -7.2331 -7.2330 -7.1237 -7.1135 -7.0820 -7.0819 -7.0675 -7.0646 -6.3701 -6.3627 -4.3202 -4.3197 1.1698 1.1773 1.9980 2.0373 3.0479 3.1179 3.3175 3.3240 4.3664 4.4072 5.3451 5.3820 5.6443 5.6565 6.0951 6.1729 6.4642 6.5136 6.7411 6.7702 8.3322 8.4041 9.4037 9.4594 10.9428 11.1255 k = 0.0319-0.0728-0.1337 ( 4063 PWs) bands (ev): -8.7904 -8.7903 -8.1258 -8.1253 -8.0901 -8.0818 -7.9477 -7.9440 -7.9281 -7.9268 -7.3050 -7.2918 -7.2488 -7.2439 -7.2334 -7.2332 -7.1245 -7.1121 -7.0819 -7.0817 -7.0675 -7.0639 -6.3607 -6.3518 -4.3255 -4.3249 1.1540 1.1637 1.9845 2.0320 3.0215 3.1057 3.2863 3.2964 4.4236 4.4724 5.2858 5.3327 5.6076 5.6271 6.0322 6.1115 6.4908 6.5349 6.8087 6.8437 8.3390 8.4225 9.4462 9.5112 10.8836 11.0929 k = 0.0383-0.0873-0.1605 ( 4063 PWs) bands (ev): -8.7812 -8.7811 -8.1265 -8.1256 -8.0911 -8.0815 -7.9473 -7.9435 -7.9275 -7.9253 -7.3083 -7.2921 -7.2495 -7.2446 -7.2337 -7.2335 -7.1251 -7.1107 -7.0817 -7.0813 -7.0674 -7.0630 -6.3491 -6.3389 -4.3321 -4.3313 1.1346 1.1466 1.9702 2.0248 2.9948 3.0909 3.2526 3.2659 4.4861 4.5431 5.2157 5.2726 5.5711 5.5984 5.9660 6.0474 6.5206 6.5603 6.8803 6.9192 8.3448 8.4364 9.5006 9.5722 10.8184 11.0448 k = 0.0447-0.1019-0.1872 ( 4063 PWs) bands (ev): -8.7704 -8.7703 -8.1274 -8.1259 -8.0920 -8.0813 -7.9467 -7.9430 -7.9267 -7.9233 -7.3120 -7.2926 -7.2502 -7.2455 -7.2340 -7.2337 -7.1256 -7.1093 -7.0814 -7.0808 -7.0672 -7.0620 -6.3355 -6.3240 -4.3400 -4.3391 1.1116 1.1260 1.9555 2.0160 2.9688 3.0741 3.2175 3.2333 4.5502 4.6170 5.1375 5.2052 5.5342 5.5697 5.8975 5.9820 6.5544 6.5899 6.9537 6.9953 8.3479 8.4442 9.5661 9.6416 10.7479 10.9831 k = 0.0511-0.1165-0.2140 ( 4063 PWs) bands (ev): -8.7581 -8.7579 -8.1284 -8.1263 -8.0928 -8.0812 -7.9458 -7.9427 -7.9259 -7.9208 -7.3160 -7.2934 -7.2508 -7.2467 -7.2342 -7.2338 -7.1260 -7.1081 -7.0811 -7.0802 -7.0669 -7.0609 -6.3198 -6.3073 -4.3493 -4.3483 1.0850 1.1019 1.9407 2.0061 2.9440 3.0550 3.1821 3.1988 4.6119 4.6924 5.0538 5.1354 5.4958 5.5400 5.8284 5.9169 6.5922 6.6234 7.0275 7.0710 8.3472 8.4452 9.6416 9.7186 10.6728 10.9103 k = 0.0574-0.1310-0.2407 ( 4069 PWs) bands (ev): -8.7442 -8.7441 -8.1296 -8.1267 -8.0936 -8.0813 -7.9449 -7.9424 -7.9249 -7.9179 -7.3202 -7.2944 -7.2513 -7.2481 -7.2344 -7.2339 -7.1262 -7.1069 -7.0807 -7.0794 -7.0666 -7.0596 -6.3022 -6.2889 -4.3601 -4.3590 1.0550 1.0745 1.9263 1.9954 2.9202 3.0325 3.1485 3.1636 4.6649 4.7670 4.9671 5.0701 5.4549 5.5080 5.7603 5.8536 6.6336 6.6608 7.1007 7.1455 8.3416 8.4389 9.7255 9.8018 10.5942 10.8291 k = 0.0638-0.1456-0.2675 ( 4063 PWs) bands (ev): -8.7289 -8.7287 -8.1311 -8.1272 -8.0942 -8.0815 -7.9439 -7.9420 -7.9237 -7.9144 -7.3247 -7.2958 -7.2517 -7.2496 -7.2346 -7.2340 -7.1262 -7.1058 -7.0802 -7.0784 -7.0661 -7.0581 -6.2827 -6.2689 -4.3725 -4.3712 1.0220 1.0440 1.9124 1.9843 2.8966 3.0038 3.1186 3.1299 4.6978 4.8320 4.8867 5.0211 5.4110 5.4725 5.6947 5.7935 6.6780 6.7016 7.1729 7.2185 8.3309 8.4255 9.8159 9.8900 10.5132 10.7423 k = 0.0702-0.1601-0.2942 ( 4067 PWs) bands (ev): -8.7123 -8.7120 -8.1327 -8.1277 -8.0948 -8.0818 -7.9432 -7.9411 -7.9223 -7.9105 -7.3293 -7.2974 -7.2521 -7.2509 -7.2348 -7.2339 -7.1260 -7.1049 -7.0797 -7.0774 -7.0656 -7.0564 -6.2616 -6.2473 -4.3865 -4.3850 0.9862 1.0107 1.8991 1.9730 2.8712 2.9668 3.0896 3.1049 4.6946 4.7803 4.9187 5.0050 5.3645 5.4328 5.6332 5.7372 6.7245 6.7453 7.2434 7.2896 8.3147 8.4055 9.9110 9.9816 10.4310 10.6524 k = 0.0766-0.1747-0.3210 ( 4073 PWs) bands (ev): -8.6943 -8.6939 -8.1344 -8.1282 -8.0954 -8.0823 -7.9430 -7.9397 -7.9206 -7.9059 -7.3341 -7.2993 -7.2530 -7.2516 -7.2350 -7.2339 -7.1257 -7.1041 -7.0791 -7.0762 -7.0650 -7.0544 -6.2388 -6.2242 -4.4022 -4.4005 0.9483 0.9753 1.8865 1.9616 2.8416 2.9213 3.0616 3.0914 4.6534 4.6921 4.9790 5.0262 5.3170 5.3893 5.5767 5.6853 6.7717 6.7915 7.3120 7.3587 8.2934 8.3794 10.0087 10.0753 10.3489 10.5621 k = 0.0830-0.1892-0.3477 ( 4071 PWs) bands (ev): -8.6752 -8.6746 -8.1363 -8.1287 -8.0958 -8.0828 -7.9430 -7.9380 -7.9186 -7.9008 -7.3389 -7.3016 -7.2542 -7.2517 -7.2352 -7.2338 -7.1252 -7.1033 -7.0783 -7.0749 -7.0644 -7.0520 -6.2145 -6.1999 -4.4197 -4.4179 0.9089 0.9382 1.8742 1.9501 2.8050 2.8691 3.0396 3.0852 4.5900 4.6038 5.0211 5.0749 5.2712 5.3447 5.5253 5.6377 6.8181 6.8396 7.3786 7.4255 8.2672 8.3481 10.1068 10.1692 10.2682 10.4744 k = 0.0894-0.2038-0.3745 ( 4065 PWs) bands (ev): -8.6550 -8.6542 -8.1384 -8.1293 -8.0962 -8.0834 -7.9432 -7.9363 -7.9160 -7.8951 -7.3438 -7.3042 -7.2554 -7.2518 -7.2354 -7.2337 -7.1246 -7.1027 -7.0775 -7.0735 -7.0637 -7.0493 -6.1889 -6.1743 -4.4392 -4.4371 0.8686 0.9001 1.8621 1.9383 2.7603 2.8116 3.0256 3.0844 4.5164 4.5179 5.0398 5.1319 5.2300 5.3081 5.4780 5.5945 6.8626 6.8885 7.4428 7.4899 8.2368 8.3123 10.1893 10.2003 10.2610 10.3966 k = 0.0957-0.2184-0.4012 ( 4067 PWs) bands (ev): -8.6337 -8.6327 -8.1406 -8.1300 -8.0966 -8.0841 -7.9433 -7.9345 -7.9128 -7.8887 -7.3486 -7.3070 -7.2564 -7.2517 -7.2355 -7.2337 -7.1238 -7.1022 -7.0764 -7.0720 -7.0629 -7.0461 -6.1620 -6.1476 -4.4606 -4.4583 0.8281 0.8617 1.8498 1.9259 2.7078 2.7501 3.0193 3.0876 4.4324 4.4419 5.0303 5.1665 5.2076 5.2956 5.4338 5.5564 6.9039 6.9364 7.5044 7.5519 8.2029 8.2730 10.1154 10.2478 10.3383 10.3799 k = 0.1021-0.2329-0.4279 ( 4070 PWs) bands (ev): -8.6116 -8.6103 -8.1429 -8.1307 -8.0969 -8.0848 -7.9436 -7.9327 -7.9089 -7.8816 -7.3533 -7.3100 -7.2572 -7.2515 -7.2357 -7.2336 -7.1230 -7.1017 -7.0752 -7.0705 -7.0621 -7.0425 -6.1340 -6.1199 -4.4840 -4.4815 0.7880 0.8235 1.8367 1.9125 2.6490 2.6853 3.0195 3.0943 4.3510 4.3666 4.9966 5.1254 5.2461 5.3102 5.3922 5.5254 6.9412 6.9816 7.5631 7.6112 8.1665 8.2315 10.0461 10.1978 10.4206 10.4568 k = 0.1085-0.2475-0.4547 ( 4068 PWs) bands (ev): -8.5888 -8.5872 -8.1453 -8.1315 -8.0972 -8.0856 -7.9438 -7.9311 -7.9042 -7.8737 -7.3580 -7.3133 -7.2579 -7.2514 -7.2358 -7.2335 -7.1220 -7.1012 -7.0738 -7.0690 -7.0612 -7.0383 -6.1049 -6.0913 -4.5095 -4.5067 0.7489 0.7863 1.8224 1.8975 2.5854 2.6180 3.0250 3.1039 4.2729 4.2929 4.9502 5.0704 5.2772 5.3320 5.3627 5.5062 6.9732 7.0224 7.6183 7.6674 8.1291 8.1891 9.9826 10.1316 10.5103 10.5423 k = 0.1149-0.2620-0.4814 ( 4074 PWs) bands (ev): -8.5654 -8.5634 -8.1477 -8.1323 -8.0975 -8.0863 -7.9442 -7.9296 -7.8985 -7.8649 -7.3625 -7.3167 -7.2584 -7.2511 -7.2360 -7.2334 -7.1211 -7.1008 -7.0721 -7.0674 -7.0603 -7.0336 -6.0750 -6.0618 -4.5372 -4.5341 0.7112 0.7505 1.8064 1.8803 2.5185 2.5489 3.0348 3.1161 4.1984 4.2218 4.8984 5.0130 5.2821 5.3074 5.3930 5.5043 6.9987 7.0572 7.6688 7.7199 8.0925 8.1476 9.9258 10.0693 10.5961 10.6259 k = 0.1213-0.2766-0.5082 ( 4064 PWs) bands (ev): -8.5416 -8.5391 -8.1502 -8.1332 -8.0978 -8.0870 -7.9445 -7.9282 -7.8918 -7.8552 -7.3669 -7.3202 -7.2588 -7.2509 -7.2361 -7.2333 -7.1201 -7.1003 -7.0701 -7.0657 -7.0594 -7.0283 -6.0443 -6.0316 -4.5671 -4.5637 0.6756 0.7166 1.7881 1.8603 2.4495 2.4787 3.0479 3.1307 4.1278 4.1540 4.8447 4.9551 5.2556 5.2818 5.4374 5.5197 7.0167 7.0845 7.7128 7.7672 8.0597 8.1096 9.8762 10.0139 10.6729 10.7070 k = 0.1277-0.2911-0.5349 ( 4062 PWs) bands (ev): -8.5175 -8.5146 -8.1528 -8.1342 -8.0981 -8.0877 -7.9449 -7.9269 -7.8840 -7.8445 -7.3711 -7.3238 -7.2590 -7.2507 -7.2362 -7.2333 -7.1192 -7.0998 -7.0678 -7.0638 -7.0583 -7.0224 -6.0129 -6.0008 -4.5991 -4.5954 0.6422 0.6851 1.7670 1.8370 2.3797 2.4081 3.0641 3.1474 4.0612 4.0895 4.7905 4.8973 5.2174 5.2547 5.4816 5.5459 7.0265 7.1030 7.7469 7.8059 8.0354 8.0787 9.8339 9.9664 10.7330 10.7848 k = 0.1340-0.3057-0.5617 ( 4060 PWs) bands (ev): -8.4934 -8.4900 -8.1553 -8.1353 -8.0984 -8.0884 -7.9453 -7.9257 -7.8751 -7.8327 -7.3752 -7.3274 -7.2591 -7.2504 -7.2363 -7.2332 -7.1184 -7.0993 -7.0655 -7.0617 -7.0569 -7.0159 -5.9810 -5.9695 -4.6334 -4.6293 0.6113 0.6561 1.7427 1.8096 2.3102 2.3380 3.0827 3.1660 3.9984 4.0286 4.7363 4.8398 5.1783 5.2231 5.5236 5.5766 7.0278 7.1118 7.7666 7.8303 8.0263 8.0608 9.7988 9.9268 10.7611 10.8568 k = 0.1404-0.3202-0.5884 ( 4060 PWs) bands (ev): -8.4694 -8.4655 -8.1579 -8.1364 -8.0987 -8.0890 -7.9458 -7.9246 -7.8650 -7.8197 -7.3791 -7.3310 -7.2592 -7.2501 -7.2365 -7.2331 -7.1177 -7.0988 -7.0633 -7.0595 -7.0548 -7.0086 -5.9487 -5.9378 -4.6699 -4.6654 0.5832 0.6300 1.7147 1.7776 2.2420 2.2693 3.1034 3.1862 3.9394 3.9711 4.6824 4.7823 5.1402 5.1895 5.5626 5.6081 7.0207 7.1107 7.7687 7.8349 8.0368 8.0616 9.7703 9.8947 10.7518 10.8865 k = 0.1468-0.3348-0.6152 ( 4064 PWs) bands (ev): -8.4458 -8.4413 -8.1605 -8.1376 -8.0990 -8.0895 -7.9463 -7.9234 -7.8537 -7.8055 -7.3828 -7.3345 -7.2592 -7.2499 -7.2366 -7.2331 -7.1172 -7.0983 -7.0613 -7.0576 -7.0512 -7.0005 -5.9161 -5.9059 -4.7085 -4.7035 0.5578 0.6067 1.6828 1.7407 2.1762 2.2026 3.1261 3.2078 3.8838 3.9171 4.6286 4.7247 5.1038 5.1558 5.5984 5.6385 7.0056 7.0997 7.7560 7.8223 8.0626 8.0815 9.7477 9.8692 10.7257 10.8562 k = 0.1532-0.3494-0.6419 ( 4062 PWs) bands (ev): -8.4227 -8.4176 -8.1631 -8.1389 -8.0992 -8.0900 -7.9468 -7.9224 -7.8410 -7.7901 -7.3863 -7.3380 -7.2591 -7.2496 -7.2368 -7.2330 -7.1168 -7.0978 -7.0596 -7.0563 -7.0460 -6.9916 -5.8833 -5.8737 -4.7492 -4.7438 0.5352 0.5864 1.6468 1.6987 2.1136 2.1390 3.1502 3.2305 3.8314 3.8662 4.5749 4.6667 5.0700 5.1235 5.6304 5.6665 6.9836 7.0797 7.7345 7.8000 8.0962 8.1152 9.7298 9.8491 10.6952 10.8234 k = 0.1596-0.3639-0.6687 ( 4070 PWs) bands (ev): -8.4003 -8.3946 -8.1656 -8.1403 -8.0995 -8.0905 -7.9474 -7.9213 -7.8269 -7.7734 -7.3897 -7.3414 -7.2591 -7.2494 -7.2369 -7.2329 -7.1165 -7.0974 -7.0579 -7.0552 -7.0393 -6.9817 -5.8504 -5.8415 -4.7919 -4.7860 0.5152 0.5688 1.6069 1.6518 2.0550 2.0790 3.1755 3.2539 3.7817 3.8182 4.5210 4.6082 5.0392 5.0935 5.6586 5.6913 6.9561 7.0522 7.7095 7.7737 8.1341 8.1558 9.7155 9.8329 10.6639 10.7914 k = 0.1660-0.3785-0.6954 ( 4064 PWs) bands (ev): -8.3788 -8.3725 -8.1681 -8.1417 -8.0997 -8.0909 -7.9479 -7.9203 -7.8115 -7.7554 -7.3928 -7.3448 -7.2590 -7.2492 -7.2371 -7.2328 -7.1164 -7.0970 -7.0562 -7.0542 -7.0313 -6.9708 -5.8177 -5.8093 -4.8365 -4.8301 0.4975 0.5539 1.5635 1.6008 2.0006 2.0231 3.2013 3.2774 3.7344 3.7732 4.4667 4.5490 5.0121 5.0665 5.6824 5.7124 6.9247 7.0188 7.6839 7.7468 8.1744 8.1994 9.7034 9.8193 10.6331 10.7609 k = 0.1723-0.3930-0.7222 ( 4066 PWs) bands (ev): -8.3583 -8.3515 -8.1705 -8.1431 -8.0999 -8.0912 -7.9486 -7.9192 -7.7947 -7.7363 -7.3958 -7.3480 -7.2589 -7.2490 -7.2373 -7.2327 -7.1164 -7.0967 -7.0547 -7.0533 -7.0219 -6.9588 -5.7851 -5.7773 -4.8830 -4.8760 0.4818 0.5411 1.5174 1.5468 1.9505 1.9715 3.2270 3.3002 3.6894 3.7312 4.4118 4.4890 4.9888 5.0430 5.7017 5.7291 6.8911 6.9816 7.6591 7.7207 8.2160 8.2441 9.6925 9.8068 10.6028 10.7317 k = 0.1787-0.4076-0.7489 ( 4070 PWs) bands (ev): -8.3390 -8.3317 -8.1729 -8.1446 -8.1000 -8.0916 -7.9492 -7.9182 -7.7766 -7.7162 -7.3986 -7.3511 -7.2589 -7.2489 -7.2375 -7.2326 -7.1165 -7.0965 -7.0533 -7.0522 -7.0110 -6.9455 -5.7529 -5.7455 -4.9311 -4.9235 0.4676 0.5299 1.4696 1.4912 1.9047 1.9243 3.2514 3.3209 3.6467 3.6927 4.3562 4.4284 4.9696 5.0232 5.7161 5.7410 6.8571 6.9427 7.6360 7.6964 8.2580 8.2888 9.6821 9.7946 10.5728 10.7033 k = 0.1851-0.4221-0.7757 ( 4070 PWs) bands (ev): -8.3209 -8.3132 -8.1752 -8.1460 -8.1001 -8.0919 -7.9499 -7.9172 -7.7573 -7.6952 -7.4013 -7.3541 -7.2589 -7.2488 -7.2377 -7.2324 -7.1167 -7.0963 -7.0521 -7.0510 -6.9985 -6.9309 -5.7211 -5.7142 -4.9808 -4.9725 0.4543 0.5198 1.4212 1.4357 1.8632 1.8813 3.2729 3.3376 3.6071 3.6591 4.3002 4.3676 4.9544 5.0073 5.7253 5.7476 6.8244 6.9038 7.6152 7.6746 8.2996 8.3328 9.6715 9.7819 10.5430 10.6750 k = 0.1915-0.4367-0.8024 ( 4072 PWs) bands (ev): -8.3040 -8.2960 -8.1774 -8.1475 -8.1001 -8.0922 -7.9507 -7.9162 -7.7371 -7.6735 -7.4037 -7.3570 -7.2589 -7.2487 -7.2380 -7.2323 -7.1169 -7.0962 -7.0512 -7.0496 -6.9841 -6.9148 -5.6899 -5.6834 -5.0319 -5.0229 0.4411 0.5098 1.3736 1.3821 1.8259 1.8425 3.2888 3.3475 3.5722 3.6320 4.2439 4.3069 4.9429 4.9951 5.7292 5.7487 6.7945 6.8669 7.5971 7.6555 8.3404 8.3756 9.6606 9.7684 10.5127 10.6462 k = 0.1979-0.4513-0.8291 ( 4074 PWs) bands (ev): -8.2885 -8.2801 -8.1795 -8.1489 -8.1001 -8.0925 -7.9514 -7.9152 -7.7160 -7.6514 -7.4060 -7.3597 -7.2590 -7.2487 -7.2383 -7.2322 -7.1173 -7.0962 -7.0504 -7.0481 -6.9678 -6.8970 -5.6594 -5.6532 -5.0843 -5.0745 0.4272 0.4991 1.3273 1.3328 1.7929 1.8079 3.2956 3.3471 3.5449 3.6136 4.1881 4.2469 4.9346 4.9863 5.7280 5.7444 6.7689 6.8335 7.5819 7.6395 8.3796 8.4165 9.6496 9.7544 10.4816 10.6164 k = 0.2042-0.4658-0.8559 ( 4074 PWs) bands (ev): -8.2743 -8.2655 -8.1815 -8.1502 -8.1000 -8.0928 -7.9522 -7.9142 -7.6944 -7.6292 -7.4081 -7.3624 -7.2592 -7.2487 -7.2386 -7.2320 -7.1177 -7.0963 -7.0496 -7.0467 -6.9494 -6.8775 -5.6297 -5.6238 -5.1377 -5.1272 0.4119 0.4865 1.2829 1.2900 1.7643 1.7775 3.2899 3.3337 3.5282 3.6043 4.1338 4.1887 4.9288 4.9803 5.7219 5.7348 6.7484 6.8049 7.5698 7.6268 8.4167 8.4548 9.6392 9.7402 10.4494 10.5850 k = 0.2106-0.4804-0.8826 ( 4076 PWs) bands (ev): -8.2615 -8.2522 -8.1834 -8.1515 -8.0998 -8.0931 -7.9530 -7.9132 -7.6724 -7.6073 -7.4101 -7.3648 -7.2594 -7.2487 -7.2390 -7.2318 -7.1182 -7.0964 -7.0489 -7.0453 -6.9287 -6.8562 -5.6009 -5.5953 -5.1920 -5.1806 0.3943 0.4710 1.2433 1.2531 1.7404 1.7517 3.2712 3.3074 3.5221 3.6019 4.0822 4.1333 4.9247 4.9766 5.7114 5.7208 6.7337 6.7821 7.5608 7.6175 8.4509 8.4899 9.6300 9.7268 10.4159 10.5515 k = 0.2170-0.4949-0.9094 ( 4078 PWs) bands (ev): -8.2499 -8.2401 -8.1851 -8.1527 -8.0997 -8.0934 -7.9539 -7.9123 -7.6504 -7.5858 -7.4119 -7.3672 -7.2597 -7.2488 -7.2393 -7.2317 -7.1187 -7.0966 -7.0483 -7.0440 -6.9057 -6.8329 -5.5731 -5.5678 -5.2470 -5.2348 0.3739 0.4519 1.2104 1.2220 1.7214 1.7307 3.2416 3.2713 3.5218 3.6016 4.0356 4.0823 4.9211 4.9744 5.6970 5.7035 6.7253 6.7661 7.5550 7.6115 8.4816 8.5210 9.6230 9.7148 10.3809 10.5158 k = 0.2234-0.5095-0.9361 ( 4082 PWs) bands (ev): -8.2397 -8.2292 -8.1866 -8.1538 -8.0995 -8.0937 -7.9547 -7.9113 -7.6287 -7.5652 -7.4135 -7.3694 -7.2600 -7.2489 -7.2397 -7.2316 -7.1193 -7.0968 -7.0477 -7.0427 -6.8802 -6.8076 -5.5465 -5.5415 -5.3025 -5.2894 0.3503 0.4285 1.1848 1.1968 1.7076 1.7152 3.2045 3.2289 3.5212 3.5984 3.9963 4.0377 4.9169 4.9729 5.6789 5.6856 6.7230 6.7574 7.5521 7.6086 8.5080 8.5474 9.6191 9.7054 10.3445 10.4780 k = 0.2298-0.5240-0.9629 ( 4082 PWs) bands (ev): -8.2307 -8.2192 -8.1878 -8.1547 -8.0992 -8.0940 -7.9556 -7.9104 -7.6075 -7.5457 -7.4150 -7.3715 -7.2605 -7.2490 -7.2401 -7.2315 -7.1199 -7.0971 -7.0471 -7.0415 -6.8522 -6.7802 -5.5211 -5.5165 -5.3584 -5.3442 0.3233 0.4008 1.1664 1.1775 1.6992 1.7056 3.1625 3.1827 3.5149 3.5876 3.9670 4.0017 4.9112 4.9709 5.6583 5.6687 6.7266 6.7568 7.5518 7.6086 8.5295 8.5685 9.6190 9.6991 10.3068 10.4381 k = 0.2362-0.5386-0.9896 ( 4084 PWs) bands (ev): -8.2230 -8.2102 -8.1886 -8.1555 -8.0990 -8.0944 -7.9565 -7.9095 -7.5869 -7.5276 -7.4162 -7.3734 -7.2610 -7.2491 -7.2404 -7.2314 -7.1206 -7.0974 -7.0466 -7.0404 -6.8217 -6.7507 -5.4971 -5.4935 -5.4142 -5.3988 0.2934 0.3692 1.1543 1.1638 1.6964 1.7028 3.1172 3.1342 3.4995 3.5666 3.9488 3.9760 4.9029 4.9674 5.6377 5.6535 6.7353 6.7647 7.5539 7.6111 8.5456 8.5839 9.6233 9.6967 10.2682 10.3965 k = 0.2425-0.5532-1.0164 ( 4092 PWs) bands (ev): -8.2167 -8.2021 -8.1889 -8.1561 -8.0987 -8.0947 -7.9574 -7.9086 -7.5673 -7.5110 -7.4173 -7.3752 -7.2616 -7.2493 -7.2408 -7.2313 -7.1212 -7.0978 -7.0460 -7.0394 -6.7888 -6.7192 -5.4805 -5.4744 -5.4660 -5.4487 0.2610 0.3345 1.1473 1.1553 1.6995 1.7070 3.0699 3.0846 3.4735 3.5355 3.9406 3.9612 4.8913 4.9611 5.6194 5.6408 6.7491 6.7809 7.5579 7.6157 8.5562 8.5935 9.6320 9.6980 10.2290 10.3536 k = 0.2489-0.5677-1.0431 ( 4090 PWs) bands (ev): -8.2120 -8.1950 -8.1883 -8.1566 -8.0985 -8.0950 -7.9583 -7.9077 -7.5487 -7.4962 -7.4180 -7.3769 -7.2624 -7.2494 -7.2412 -7.2313 -7.1219 -7.0981 -7.0456 -7.0384 -6.7536 -6.6858 -5.5281 -5.5120 -5.4532 -5.4451 0.2268 0.2977 1.1434 1.1519 1.7090 1.7181 3.0212 3.0345 3.4377 3.4963 3.9390 3.9567 4.8758 4.9510 5.6052 5.6320 6.7681 6.8049 7.5635 7.6218 8.5611 8.5975 9.6445 9.7029 10.1898 10.3100 k = 0.2553-0.5823-1.0699 ( 4086 PWs) bands (ev): -8.2088 -8.1897 -8.1859 -8.1568 -8.0982 -8.0953 -7.9592 -7.9069 -7.5313 -7.4831 -7.4185 -7.3784 -7.2632 -7.2495 -7.2415 -7.2313 -7.1225 -7.0985 -7.0451 -7.0375 -6.7162 -6.6506 -5.5834 -5.5658 -5.4335 -5.4267 0.1917 0.2597 1.1417 1.1526 1.7250 1.7360 2.9718 2.9844 3.3944 3.4514 3.9412 3.9600 4.8561 4.9362 5.5963 5.6277 6.7923 6.8357 7.5702 7.6290 8.5607 8.5965 9.6597 9.7104 10.1513 10.2662 k = 0.2617-0.5968-1.0966 ( 4088 PWs) bands (ev): -8.2070 -8.1868 -8.1810 -8.1567 -8.0981 -8.0956 -7.9601 -7.9061 -7.5151 -7.4721 -7.4186 -7.3798 -7.2641 -7.2496 -7.2417 -7.2314 -7.1232 -7.0990 -7.0447 -7.0368 -6.6770 -6.6136 -5.6386 -5.6197 -5.4155 -5.4091 0.1565 0.2216 1.1416 1.1561 1.7476 1.7604 2.9221 2.9350 3.3461 3.4031 3.9453 3.9679 4.8323 4.9164 5.5937 5.6287 6.8218 6.8724 7.5777 7.6368 8.5555 8.5912 9.6760 9.7189 10.1144 10.2229 k = 0.2681-0.6114-1.1234 ( 4088 PWs) bands (ev): -8.2062 -8.1845 -8.1759 -8.1564 -8.0980 -8.0957 -7.9609 -7.9053 -7.5002 -7.4630 -7.4181 -7.3810 -7.2651 -7.2496 -7.2420 -7.2315 -7.1238 -7.0994 -7.0444 -7.0361 -6.6361 -6.5752 -5.6932 -5.6731 -5.3990 -5.3929 0.1218 0.1843 1.1429 1.1613 1.7765 1.7906 2.8724 2.8864 3.2951 3.3533 3.9503 3.9777 4.8048 4.8916 5.5976 5.6349 6.8561 6.9144 7.5858 7.6450 8.5460 8.5824 9.6911 9.7268 10.0800 10.1808 k = 0.2745-0.6259-1.1501 ( 4092 PWs) bands (ev): -8.2060 -8.1825 -8.1712 -8.1559 -8.0980 -8.0958 -7.9618 -7.9046 -7.4866 -7.4560 -7.4172 -7.3821 -7.2661 -7.2497 -7.2422 -7.2317 -7.1244 -7.0998 -7.0440 -7.0355 -6.5938 -6.5355 -5.7471 -5.7258 -5.3843 -5.3783 0.0883 0.1484 1.1452 1.1675 1.8110 1.8262 2.8232 2.8391 3.2431 3.3034 3.9552 3.9878 4.7739 4.8624 5.6078 5.6463 6.8945 6.9606 7.5944 7.6532 8.5328 8.5710 9.7025 9.7317 10.0494 10.1404 k = 0.2808-0.6405-1.1769 ( 4088 PWs) bands (ev): -8.2061 -8.1807 -8.1670 -8.1551 -8.0982 -8.0957 -7.9626 -7.9039 -7.4742 -7.4510 -7.4157 -7.3831 -7.2672 -7.2497 -7.2423 -7.2319 -7.1250 -7.1003 -7.0437 -7.0350 -6.5505 -6.4948 -5.8000 -5.7776 -5.3712 -5.3652 0.0567 0.1146 1.1484 1.1742 1.8504 1.8662 2.7749 2.7932 3.1916 3.2546 3.9594 3.9975 4.7404 4.8295 5.6238 5.6622 6.9360 7.0099 7.6037 7.6617 8.5167 8.5578 9.7078 9.7316 10.0235 10.1024 k = 0.2872-0.6551-1.2036 ( 4084 PWs) bands (ev): -8.2064 -8.1793 -8.1633 -8.1541 -8.0984 -8.0956 -7.9633 -7.9033 -7.4632 -7.4476 -7.4139 -7.3839 -7.2682 -7.2497 -7.2424 -7.2321 -7.1255 -7.1007 -7.0434 -7.0345 -6.5063 -6.4534 -5.8520 -5.8283 -5.3597 -5.3539 0.0275 0.0835 1.1521 1.1812 1.8938 1.9099 2.7276 2.7489 3.1418 3.2079 3.9628 4.0063 4.7050 4.7938 5.6445 5.6822 6.9794 7.0610 7.6141 7.6706 8.4981 8.5431 9.7052 9.7245 10.0028 10.0669 k = 0.2936-0.6696-1.2304 ( 4086 PWs) bands (ev): -8.2067 -8.1782 -8.1602 -8.1530 -8.0987 -8.0954 -7.9640 -7.9028 -7.4534 -7.4454 -7.4120 -7.3845 -7.2693 -7.2497 -7.2424 -7.2324 -7.1260 -7.1011 -7.0432 -7.0342 -6.4618 -6.4114 -5.9027 -5.8779 -5.3500 -5.3442 0.0011 0.0556 1.1562 1.1881 1.9402 1.9559 2.6817 2.7064 3.0947 3.1644 3.9652 4.0142 4.6684 4.7564 5.6690 5.7054 7.0231 7.1120 7.6264 7.6808 8.4774 8.5274 9.6941 9.7095 9.9870 10.0342 k = 0.3000-0.6842-1.2571 ( 4082 PWs) bands (ev): -8.2071 -8.1775 -8.1576 -8.1518 -8.0991 -8.0952 -7.9646 -7.9023 -7.4462 -7.4429 -7.4104 -7.3851 -7.2703 -7.2496 -7.2424 -7.2327 -7.1264 -7.1015 -7.0429 -7.0339 -6.4170 -6.3692 -5.9522 -5.9262 -5.3419 -5.3361 -0.0221 0.0311 1.1604 1.1948 1.9882 2.0033 2.6373 2.6659 3.0515 3.1249 3.9671 4.0211 4.6312 4.7180 5.6963 5.7309 7.0651 7.1604 7.6418 7.6937 8.4548 8.5109 9.6753 9.6871 9.9745 10.0043 k = 0.3064-0.6987-1.2838 ( 4076 PWs) bands (ev): -8.2074 -8.1769 -8.1555 -8.1507 -8.0994 -8.0951 -7.9652 -7.9019 -7.4447 -7.4365 -7.4093 -7.3855 -7.2712 -7.2496 -7.2424 -7.2330 -7.1268 -7.1018 -7.0427 -7.0337 -6.3724 -6.3270 -6.0002 -5.9732 -5.3354 -5.3296 -0.0418 0.0103 1.1644 1.2009 2.0366 2.0506 2.5946 2.6275 3.0133 3.0906 3.9689 4.0274 4.5941 4.6796 5.7253 5.7580 7.1031 7.2033 7.6620 7.7109 8.4303 8.4934 9.6503 9.6586 9.9634 9.9777 k = 0.3128-0.7133-1.3106 ( 4088 PWs) bands (ev): -8.2076 -8.1766 -8.1539 -8.1496 -8.0996 -8.0949 -7.9656 -7.9016 -7.4446 -7.4303 -7.4086 -7.3857 -7.2721 -7.2495 -7.2423 -7.2333 -7.1271 -7.1021 -7.0426 -7.0336 -6.3284 -6.2851 -6.0466 -6.0186 -5.3304 -5.3246 -0.0576 -0.0063 1.1681 1.2063 2.0838 2.0964 2.5539 2.5912 2.9816 3.0626 3.9708 4.0331 4.5579 4.6419 5.7550 5.7857 7.1347 7.2373 7.6884 7.7347 8.4040 8.4747 9.6207 9.6264 9.9499 9.9577 k = 0.3191-0.7278-1.3373 ( 4090 PWs) bands (ev): -8.2078 -8.1765 -8.1527 -8.1488 -8.0998 -8.0948 -7.9660 -7.9014 -7.4449 -7.4252 -7.4085 -7.3858 -7.2728 -7.2494 -7.2422 -7.2335 -7.1273 -7.1023 -7.0425 -7.0335 -6.2852 -6.2439 -6.0910 -6.0624 -5.3269 -5.3212 -0.0695 -0.0188 1.1712 1.2106 2.1279 2.1388 2.5155 2.5574 2.9578 3.0420 3.9734 4.0385 4.5232 4.6060 5.7844 5.8132 7.1576 7.2592 7.7225 7.7666 8.3757 8.4545 9.5876 9.5943 9.9309 9.9473 k = 0.3255-0.7424-1.3641 ( 4090 PWs) bands (ev): -8.2079 -8.1765 -8.1519 -8.1481 -8.1000 -8.0948 -7.9663 -7.9012 -7.4454 -7.4216 -7.4084 -7.3858 -7.2733 -7.2494 -7.2420 -7.2337 -7.1275 -7.1025 -7.0424 -7.0334 -6.2441 -6.2038 -6.1325 -6.1042 -5.3248 -5.3191 -0.0772 -0.0268 1.1733 1.2136 2.1663 2.1763 2.4801 2.5265 2.9435 3.0300 3.9768 4.0435 4.4910 4.5726 5.8126 5.8397 7.1703 7.2676 7.7641 7.8075 8.3454 8.4322 9.5538 9.5649 9.9142 9.9394 k = 0.3319-0.7570-1.3908 ( 4086 PWs) bands (ev): -8.2079 -8.1767 -8.1514 -8.1479 -8.1001 -8.0947 -7.9664 -7.9012 -7.4462 -7.4198 -7.4081 -7.3858 -7.2737 -7.2495 -7.2419 -7.2338 -7.1276 -7.1026 -7.0423 -7.0334 -6.2124 -6.1697 -6.1636 -6.1397 -5.3241 -5.3184 -0.0807 -0.0304 1.1744 1.2150 2.1961 2.2069 2.4489 2.4990 2.9400 3.0277 3.9809 4.0478 4.4623 4.5429 5.8389 5.8644 7.1721 7.2620 7.8120 7.8566 8.3129 8.4074 9.5233 9.5399 9.9009 9.9331 k = 0.3383-0.7715-1.4176 ( 4086 PWs) bands (ev): -8.2079 -8.1770 -8.1511 -8.1479 -8.1001 -8.0948 -7.9664 -7.9012 -7.4471 -7.4199 -7.4072 -7.3857 -7.2739 -7.2495 -7.2418 -7.2338 -7.1276 -7.1026 -7.0423 -7.0334 -6.2265 -6.1883 -6.1492 -6.1209 -5.3246 -5.3189 -0.0797 -0.0294 1.1742 1.2149 2.2150 2.2276 2.4240 2.4759 2.9482 3.0358 3.9853 4.0508 4.4385 4.5181 5.8627 5.8868 7.1629 7.2435 7.8641 7.9116 8.2786 8.3797 9.4995 9.5218 9.8911 9.9287 k = 0.6617-0.6667-1.3553 ( 4086 PWs) bands (ev): -8.2079 -8.1770 -8.1511 -8.1479 -8.1001 -8.0948 -7.9664 -7.9012 -7.4471 -7.4199 -7.4072 -7.3857 -7.2739 -7.2495 -7.2418 -7.2338 -7.1276 -7.1026 -7.0423 -7.0334 -6.2265 -6.1883 -6.1492 -6.1209 -5.3246 -5.3189 -0.0797 -0.0294 1.1742 1.2149 2.2150 2.2276 2.4240 2.4759 2.9482 3.0358 3.9853 4.0508 4.4385 4.5181 5.8627 5.8868 7.1629 7.2435 7.8641 7.9116 8.2786 8.3797 9.4995 9.5218 9.8911 9.9287 k = 0.6555-0.6370-1.3553 ( 4082 PWs) bands (ev): -8.2078 -8.1775 -8.1511 -8.1484 -8.1000 -8.0948 -7.9663 -7.9014 -7.4482 -7.4214 -7.4061 -7.3856 -7.2738 -7.2497 -7.2417 -7.2337 -7.1276 -7.1024 -7.0424 -7.0333 -6.2602 -6.2236 -6.1143 -6.0856 -5.3261 -5.3204 -0.0745 -0.0240 1.1727 1.2130 2.2218 2.2348 2.4083 2.4584 2.9678 3.0541 3.9892 4.0515 4.4213 4.5002 5.8829 5.9059 7.1437 7.2143 7.9163 7.9677 8.2444 8.3502 9.4853 9.5134 9.8846 9.9261 k = 0.6493-0.6074-1.3553 ( 4086 PWs) bands (ev): -8.2077 -8.1781 -8.1512 -8.1492 -8.1000 -8.0949 -7.9661 -7.9016 -7.4495 -7.4238 -7.4051 -7.3855 -7.2736 -7.2500 -7.2415 -7.2334 -7.1275 -7.1022 -7.0425 -7.0333 -6.2947 -6.2581 -6.0783 -6.0508 -5.3286 -5.3230 -0.0652 -0.0144 1.1698 1.2095 2.2177 2.2282 2.4015 2.4458 2.9983 3.0824 3.9914 4.0492 4.4116 4.4896 5.8998 5.9219 7.1150 7.1750 7.9656 8.0215 8.2125 8.3200 9.4822 9.5162 9.8806 9.9252 k = 0.6431-0.5777-1.3553 ( 4086 PWs) bands (ev): -8.2074 -8.1789 -8.1515 -8.1504 -8.0998 -8.0950 -7.9657 -7.9020 -7.4510 -7.4265 -7.4044 -7.3854 -7.2733 -7.2503 -7.2414 -7.2331 -7.1274 -7.1019 -7.0427 -7.0333 -6.3279 -6.2911 -6.0434 -6.0173 -5.3320 -5.3264 -0.0517 -0.0007 1.1656 1.2045 2.2048 2.2108 2.4006 2.4373 3.0387 3.1202 3.9906 4.0430 4.4107 4.4877 5.9133 5.9346 7.0774 7.1267 8.0027 8.0649 8.1922 8.2947 9.4914 9.5317 9.8788 9.9257 k = 0.6368-0.5480-1.3553 ( 4084 PWs) bands (ev): -8.2072 -8.1799 -8.1519 -8.1518 -8.0997 -8.0952 -7.9653 -7.9025 -7.4529 -7.4295 -7.4041 -7.3853 -7.2727 -7.2508 -7.2412 -7.2326 -7.1272 -7.1015 -7.0429 -7.0332 -6.3596 -6.3226 -6.0098 -5.9852 -5.3362 -5.3306 -0.0343 0.0171 1.1601 1.1980 2.1854 2.1874 2.4012 2.4317 3.0876 3.1666 3.9858 4.0326 4.4193 4.4948 5.9232 5.9439 7.0316 7.0705 8.0098 8.0856 8.1981 8.2876 9.5134 9.5608 9.8786 9.9272 k = 0.6306-0.5183-1.3553 ( 4084 PWs) bands (ev): -8.2068 -8.1811 -8.1536 -8.1524 -8.0995 -8.0953 -7.9647 -7.9031 -7.4551 -7.4325 -7.4042 -7.3853 -7.2720 -7.2513 -7.2409 -7.2321 -7.1270 -7.1010 -7.0432 -7.0332 -6.3896 -6.3525 -5.9779 -5.9548 -5.3410 -5.3355 -0.0130 0.0388 1.1536 1.1903 2.1605 2.1630 2.4006 2.4281 3.1437 3.2204 3.9765 4.0185 4.4369 4.5106 5.9298 5.9499 6.9783 7.0075 7.9835 8.0753 8.2292 8.3111 9.5479 9.6033 9.8794 9.9295 k = 0.6244-0.4887-1.3553 ( 4086 PWs) bands (ev): -8.2064 -8.1824 -8.1557 -8.1530 -8.0993 -8.0954 -7.9639 -7.9038 -7.4577 -7.4355 -7.4046 -7.3852 -7.2711 -7.2519 -7.2406 -7.2315 -7.1267 -7.1004 -7.0435 -7.0331 -6.4179 -6.3808 -5.9478 -5.9262 -5.3463 -5.3410 0.0118 0.0640 1.1463 1.1817 2.1330 2.1381 2.3976 2.4257 3.2054 3.2807 3.9629 4.0017 4.4626 4.5339 5.9330 5.9528 6.9183 6.9394 7.9397 8.0395 8.2738 8.3551 9.5940 9.6582 9.8807 9.9321 k = 0.6182-0.4590-1.3553 ( 4082 PWs) bands (ev): -8.2060 -8.1839 -8.1580 -8.1537 -8.0992 -8.0956 -7.9631 -7.9046 -7.4607 -7.4383 -7.4053 -7.3852 -7.2702 -7.2525 -7.2403 -7.2309 -7.1263 -7.0997 -7.0438 -7.0330 -6.4443 -6.4074 -5.9195 -5.8993 -5.3521 -5.3468 0.0400 0.0925 1.1383 1.1725 2.1057 2.1129 2.3923 2.4236 3.2718 3.3465 3.9457 3.9831 4.4946 4.5629 5.9333 5.9528 6.8522 6.8684 7.8883 7.9907 8.3231 8.4065 9.6503 9.7241 9.8818 9.9349 k = 0.6120-0.4293-1.3553 ( 4084 PWs) bands (ev): -8.2056 -8.1856 -8.1605 -8.1544 -8.0991 -8.0957 -7.9622 -7.9055 -7.4640 -7.4411 -7.4062 -7.3851 -7.2692 -7.2531 -7.2399 -7.2302 -7.1259 -7.0990 -7.0441 -7.0328 -6.4690 -6.4325 -5.8931 -5.8742 -5.3582 -5.3530 0.0712 0.1239 1.1301 1.1630 2.0791 2.0881 2.3850 2.4212 3.3415 3.4172 3.9260 3.9640 4.5307 4.5958 5.9309 5.9503 6.7805 6.7969 7.8332 7.9358 8.3726 8.4590 9.7146 9.7988 9.8825 9.9380 k = 0.6057-0.3996-1.3553 ( 4086 PWs) bands (ev): -8.2051 -8.1874 -8.1632 -8.1551 -8.0991 -8.0957 -7.9611 -7.9065 -7.4675 -7.4438 -7.4071 -7.3851 -7.2682 -7.2538 -7.2394 -7.2295 -7.1254 -7.0983 -7.0444 -7.0327 -6.4920 -6.4560 -5.8686 -5.8510 -5.3645 -5.3595 0.1049 0.1577 1.1219 1.1536 2.0539 2.0645 2.3761 2.4180 3.4132 3.4917 3.9049 3.9459 4.5684 4.6302 5.9264 5.9461 6.7055 6.7264 7.7765 7.8781 8.4201 8.5098 9.7834 9.8724 9.8884 9.9441 k = 0.5995-0.3700-1.3553 ( 4086 PWs) bands (ev): -8.2047 -8.1893 -8.1659 -8.1560 -8.0991 -8.0957 -7.9600 -7.9076 -7.4712 -7.4466 -7.4080 -7.3850 -7.2671 -7.2545 -7.2388 -7.2288 -7.1248 -7.0976 -7.0447 -7.0326 -6.5133 -6.4780 -5.8459 -5.8296 -5.3708 -5.3661 0.1407 0.1933 1.1141 1.1447 2.0305 2.0427 2.3661 2.4140 3.4848 3.5693 3.8834 3.9306 4.6053 4.6639 5.9202 5.9407 6.6301 6.6571 7.7192 7.8191 8.4642 8.5573 9.8483 9.8770 9.9418 9.9823 k = 0.5933-0.3403-1.3553 ( 4084 PWs) bands (ev): -8.2044 -8.1912 -8.1688 -8.1568 -8.0991 -8.0957 -7.9588 -7.9088 -7.4749 -7.4496 -7.4087 -7.3851 -7.2661 -7.2551 -7.2382 -7.2281 -7.1242 -7.0969 -7.0449 -7.0326 -6.5328 -6.4985 -5.8251 -5.8101 -5.3772 -5.3727 0.1780 0.2302 1.1070 1.1365 2.0091 2.0232 2.3550 2.4091 3.5532 3.6482 3.8632 3.9213 4.6389 4.6947 5.9130 5.9351 6.5570 6.5902 7.6625 7.7602 8.5040 8.6005 9.8718 9.8856 9.9858 10.0681 k = 0.5871-0.3106-1.3553 ( 4086 PWs) bands (ev): -8.2041 -8.1932 -8.1716 -8.1578 -8.0992 -8.0957 -7.9574 -7.9101 -7.4785 -7.4527 -7.4093 -7.3851 -7.2652 -7.2557 -7.2375 -7.2274 -7.1234 -7.0963 -7.0451 -7.0325 -6.5507 -6.5176 -5.8062 -5.7923 -5.3835 -5.3792 0.2163 0.2677 1.1009 1.1295 1.9901 2.0062 2.3431 2.4034 3.6130 3.7231 3.8496 3.9231 4.6666 4.7203 5.9057 5.9302 6.4879 6.5269 7.6070 7.7022 8.5387 8.6383 9.8638 9.8905 10.0555 10.1588 k = 0.5809-0.2810-1.3553 ( 4086 PWs) bands (ev): -8.2041 -8.1950 -8.1743 -8.1588 -8.0993 -8.0957 -7.9561 -7.9115 -7.4820 -7.4560 -7.4096 -7.3853 -7.2643 -7.2563 -7.2367 -7.2268 -7.1226 -7.0959 -7.0452 -7.0325 -6.5670 -6.5352 -5.7890 -5.7763 -5.3897 -5.3856 0.2549 0.3051 1.0960 1.1238 1.9737 1.9922 2.3306 2.3970 3.6565 3.7685 3.8677 3.9432 4.6866 4.7386 5.8994 5.9267 6.4244 6.4684 7.5536 7.6460 8.5676 8.6700 9.8525 9.8825 10.1329 10.2476 k = 0.5746-0.2513-1.3553 ( 4092 PWs) bands (ev): -8.2044 -8.1967 -8.1769 -8.1598 -8.0993 -8.0957 -7.9546 -7.9129 -7.4852 -7.4594 -7.4096 -7.3855 -7.2636 -7.2568 -7.2359 -7.2262 -7.1216 -7.0955 -7.0452 -7.0325 -6.5817 -6.5515 -5.7736 -5.7620 -5.3956 -5.3918 0.2930 0.3415 1.0928 1.1198 1.9601 1.9813 2.3176 2.3899 3.6790 3.7660 3.9357 3.9861 4.6973 4.7477 5.8949 5.9250 6.3672 6.4155 7.5034 7.5925 8.5904 8.6949 9.8380 9.8683 10.2093 10.3309 k = 0.5684-0.2216-1.3553 ( 4092 PWs) bands (ev): -8.2051 -8.1981 -8.1791 -8.1609 -8.0993 -8.0957 -7.9531 -7.9145 -7.4882 -7.4630 -7.4094 -7.3859 -7.2629 -7.2573 -7.2349 -7.2256 -7.1206 -7.0953 -7.0451 -7.0326 -6.5949 -6.5665 -5.7598 -5.7493 -5.4011 -5.3976 0.3299 0.3763 1.0912 1.1176 1.9496 1.9740 2.3043 2.3823 3.6840 3.7489 4.0195 4.0474 4.6985 4.7468 5.8929 5.9251 6.3169 6.3686 7.4573 7.5425 8.6069 8.7127 9.8205 9.8500 10.2813 10.4054 k = 0.5622-0.1919-1.3553 ( 4088 PWs) bands (ev): -8.2062 -8.1993 -8.1809 -8.1621 -8.0993 -8.0958 -7.9515 -7.9161 -7.4908 -7.4666 -7.4089 -7.3863 -7.2624 -7.2577 -7.2339 -7.2251 -7.1194 -7.0952 -7.0449 -7.0327 -6.6067 -6.5801 -5.7477 -5.7381 -5.4063 -5.4031 0.3651 0.4086 1.0916 1.1171 1.9423 1.9702 2.2910 2.3740 3.6785 3.7290 4.1062 4.1197 4.6909 4.7356 5.8934 5.9264 6.2735 6.3276 7.4165 7.4971 8.6170 8.7230 9.8005 9.8286 10.3463 10.4682 k = 0.5560-0.1623-1.3553 ( 4090 PWs) bands (ev): -8.2075 -8.2006 -8.1822 -8.1633 -8.0993 -8.0959 -7.9499 -7.9177 -7.4931 -7.4703 -7.4082 -7.3869 -7.2620 -7.2580 -7.2329 -7.2247 -7.1182 -7.0954 -7.0446 -7.0329 -6.6170 -6.5926 -5.7370 -5.7284 -5.4110 -5.4082 0.3977 0.4380 1.0937 1.1184 1.9383 1.9701 2.2778 2.3652 3.6676 3.7088 4.1903 4.1986 4.6763 4.7154 5.8957 5.9279 6.2365 6.2921 7.3820 7.4572 8.6212 8.7258 9.7787 9.8055 10.4026 10.5178 k = 0.5498-0.1326-1.3553 ( 4090 PWs) bands (ev): -8.2089 -8.2021 -8.1828 -8.1646 -8.0992 -8.0960 -7.9482 -7.9194 -7.4951 -7.4739 -7.4073 -7.3875 -7.2617 -7.2583 -7.2319 -7.2243 -7.1168 -7.0957 -7.0441 -7.0332 -6.6259 -6.6037 -5.7277 -5.7202 -5.4153 -5.4128 0.4274 0.4639 1.0976 1.1212 1.9377 1.9734 2.2651 2.3556 3.6544 3.6890 4.2669 4.2821 4.6577 4.6884 5.8983 5.9285 6.2056 6.2613 7.3548 7.4237 8.6199 8.7214 9.7560 9.7816 10.4495 10.5540 k = 0.5435-0.1029-1.3553 ( 4088 PWs) bands (ev): -8.2102 -8.2037 -8.1830 -8.1660 -8.0991 -8.0961 -7.9465 -7.9211 -7.4966 -7.4774 -7.4062 -7.3883 -7.2614 -7.2586 -7.2308 -7.2240 -7.1154 -7.0963 -7.0436 -7.0335 -6.6334 -6.6137 -5.7198 -5.7132 -5.4191 -5.4169 0.4538 0.4861 1.1029 1.1250 1.9402 1.9797 2.2532 2.3453 3.6405 3.6699 4.3358 4.3630 4.6392 4.6587 5.8999 5.9271 6.1800 6.2342 7.3354 7.3972 8.6141 8.7105 9.7337 9.7579 10.4869 10.5781 k = 0.5373-0.0732-1.3553 ( 4088 PWs) bands (ev): -8.2114 -8.2054 -8.1827 -8.1674 -8.0990 -8.0963 -7.9447 -7.9229 -7.4977 -7.4808 -7.4051 -7.3892 -7.2612 -7.2588 -7.2298 -7.2239 -7.1139 -7.0970 -7.0429 -7.0339 -6.6397 -6.6226 -5.7130 -5.7074 -5.4224 -5.4205 0.4766 0.5044 1.1092 1.1295 1.9458 1.9883 2.2426 2.3341 3.6268 3.6520 4.3918 4.4356 4.6222 4.6374 5.8991 5.9230 6.1594 6.2099 7.3238 7.3778 8.6050 8.6940 9.7128 9.7354 10.5154 10.5921 k = 0.5311-0.0436-1.3553 ( 4086 PWs) bands (ev): -8.2124 -8.2071 -8.1820 -8.1688 -8.0988 -8.0964 -7.9430 -7.9247 -7.4984 -7.4840 -7.4038 -7.3903 -7.2610 -7.2591 -7.2288 -7.2238 -7.1124 -7.0979 -7.0421 -7.0344 -6.6447 -6.6302 -5.7074 -5.7028 -5.4251 -5.4235 0.4958 0.5190 1.1161 1.1340 1.9540 1.9979 2.2341 2.3219 3.6142 3.6354 4.4267 4.4875 4.6109 4.6415 5.8956 5.9159 6.1433 6.1880 7.3195 7.3650 8.5943 8.6734 9.6943 9.7148 10.5363 10.5985 k = 0.5249-0.0139-1.3553 ( 4086 PWs) bands (ev): -8.2131 -8.2088 -8.1811 -8.1702 -8.0986 -8.0966 -7.9412 -7.9265 -7.4987 -7.4870 -7.4024 -7.3914 -7.2609 -7.2593 -7.2279 -7.2238 -7.1108 -7.0990 -7.0413 -7.0350 -6.6484 -6.6368 -5.7029 -5.6992 -5.4274 -5.4261 0.5116 0.5301 1.1230 1.1380 1.9642 2.0069 2.2287 2.3087 3.6033 3.6206 4.4389 4.4980 4.6329 4.6659 5.8895 5.9063 6.1313 6.1685 7.3209 7.3576 8.5836 8.6505 9.6791 9.6967 10.5512 10.5994 k = 0.5187 0.0158-1.3553 ( 4088 PWs) bands (ev): -8.2136 -8.2102 -8.1800 -8.1717 -8.0984 -8.0969 -7.9394 -7.9283 -7.4986 -7.4897 -7.4010 -7.3926 -7.2607 -7.2595 -7.2271 -7.2240 -7.1092 -7.1002 -7.0405 -7.0357 -6.6510 -6.6422 -5.6994 -5.6966 -5.4290 -5.4281 0.5241 0.5379 1.1294 1.1411 1.9757 2.0135 2.2273 2.2945 3.5946 3.6079 4.4381 4.4822 4.6747 4.6985 5.8823 5.8953 6.1232 6.1516 7.3262 7.3539 8.5749 8.6274 9.6675 9.6815 10.5619 10.5970 k = 0.5124 0.0455-1.3553 ( 4090 PWs) bands (ev): -8.2138 -8.2115 -8.1788 -8.1732 -8.0981 -8.0971 -7.9375 -7.9302 -7.4981 -7.4921 -7.3995 -7.3939 -7.2605 -7.2597 -7.2263 -7.2242 -7.1076 -7.1015 -7.0396 -7.0364 -6.6524 -6.6465 -5.6967 -5.6949 -5.4302 -5.4296 0.5334 0.5426 1.1349 1.1430 1.9876 2.0163 2.2307 2.2796 3.5887 3.5978 4.4342 4.4628 4.7130 4.7276 5.8757 5.8846 6.1188 6.1379 7.3333 7.3519 8.5699 8.6061 9.6599 9.6696 10.5698 10.5927 k = 0.5062 0.0751-1.3553 ( 4086 PWs) bands (ev): -8.2136 -8.2125 -8.1775 -8.1747 -8.0979 -8.0974 -7.9357 -7.9320 -7.4971 -7.4941 -7.3981 -7.3952 -7.2603 -7.2599 -7.2256 -7.2246 -7.1060 -7.1029 -7.0388 -7.0371 -6.6526 -6.6496 -5.6950 -5.6941 -5.4308 -5.4305 0.5398 0.5444 1.1392 1.1433 1.9989 2.0144 2.2388 2.2646 3.5860 3.5906 4.4329 4.4469 4.7393 4.7463 5.8716 5.8762 6.1181 6.1276 7.3403 7.3497 8.5701 8.5886 9.6564 9.6614 10.5762 10.5875 k = 0.5000 0.1048-1.3553 ( 4086 PWs) bands (ev): -8.2132 -8.2132 -8.1761 -8.1761 -8.0976 -8.0976 -7.9339 -7.9339 -7.4958 -7.4958 -7.3966 -7.3966 -7.2601 -7.2601 -7.2250 -7.2250 -7.1044 -7.1044 -7.0379 -7.0379 -6.6517 -6.6517 -5.6941 -5.6941 -5.4309 -5.4309 0.5435 0.5435 1.1421 1.1421 2.0082 2.0082 2.2506 2.2506 3.5866 3.5866 4.4369 4.4369 4.7507 4.7507 5.8716 5.8716 6.1210 6.1210 7.3460 7.3460 8.5763 8.5763 9.6569 9.6569 10.5820 10.5820 k = 0.5000 0.1048-1.3553 ( 4086 PWs) bands (ev): -8.2132 -8.2132 -8.1761 -8.1761 -8.0976 -8.0976 -7.9339 -7.9339 -7.4958 -7.4958 -7.3966 -7.3966 -7.2601 -7.2601 -7.2250 -7.2250 -7.1044 -7.1044 -7.0379 -7.0379 -6.6517 -6.6517 -5.6941 -5.6941 -5.4309 -5.4309 0.5435 0.5435 1.1421 1.1421 2.0082 2.0082 2.2506 2.2506 3.5866 3.5866 4.4369 4.4369 4.7507 4.7507 5.8716 5.8716 6.1210 6.1210 7.3460 7.3460 8.5763 8.5763 9.6569 9.6569 10.5820 10.5820 k = 0.5270 0.1105-1.3449 ( 4088 PWs) bands (ev): -8.2143 -8.2121 -8.1774 -8.1749 -8.0977 -8.0975 -7.9339 -7.9338 -7.4964 -7.4953 -7.3972 -7.3960 -7.2603 -7.2600 -7.2252 -7.2249 -7.1045 -7.1043 -7.0380 -7.0379 -6.6521 -6.6515 -5.6940 -5.6936 -5.4313 -5.4307 0.5416 0.5425 1.1442 1.1450 2.0078 2.0089 2.2503 2.2517 3.5809 3.5863 4.4323 4.4352 4.7501 4.7505 5.8708 5.8729 6.1304 6.1326 7.3465 7.3469 8.5703 8.5777 9.6408 9.6523 10.5704 10.5739 k = 0.5539 0.1161-1.3345 ( 4084 PWs) bands (ev): -8.2152 -8.2109 -8.1787 -8.1738 -8.0978 -8.0974 -7.9340 -7.9337 -7.4972 -7.4950 -7.3978 -7.3954 -7.2604 -7.2599 -7.2253 -7.2248 -7.1047 -7.1042 -7.0381 -7.0378 -6.6528 -6.6516 -5.6934 -5.6926 -5.4320 -5.4307 0.5370 0.5389 1.1514 1.1527 2.0078 2.0098 2.2508 2.2536 3.5697 3.5803 4.4216 4.4275 4.7487 4.7494 5.8714 5.8753 6.1597 6.1640 7.3484 7.3493 8.5598 8.5747 9.6042 9.6269 10.5442 10.5497 k = 0.5809 0.1218-1.3242 ( 4085 PWs) bands (ev): -8.2161 -8.2097 -8.1801 -8.1728 -8.0980 -8.0974 -7.9341 -7.9336 -7.4981 -7.4948 -7.3983 -7.3948 -7.2605 -7.2598 -7.2254 -7.2247 -7.1048 -7.1041 -7.0382 -7.0378 -6.6538 -6.6519 -5.6922 -5.6910 -5.4328 -5.4309 0.5300 0.5327 1.1631 1.1650 2.0080 2.0111 2.2521 2.2562 3.5533 3.5690 4.4053 4.4139 4.7467 4.7477 5.8748 5.8804 6.2064 6.2127 7.3516 7.3531 8.5447 8.5672 9.5477 9.5812 10.5124 10.5179 k = 0.6078 0.1274-1.3138 ( 4084 PWs) bands (ev): -8.2169 -8.2085 -8.1815 -8.1719 -8.0981 -8.0973 -7.9342 -7.9335 -7.4992 -7.4947 -7.3988 -7.3942 -7.2607 -7.2597 -7.2255 -7.2246 -7.1049 -7.1040 -7.0383 -7.0378 -6.6551 -6.6525 -5.6905 -5.6889 -5.4338 -5.4314 0.5211 0.5245 1.1789 1.1811 2.0086 2.0126 2.2542 2.2595 3.5326 3.5532 4.3841 4.3952 4.7442 4.7453 5.8823 5.8893 6.2677 6.2761 7.3562 7.3582 8.5252 8.5555 9.4729 9.5164 10.4821 10.4868 k = 0.6348 0.1330-1.3034 ( 4079 PWs) bands (ev): -8.2175 -8.2072 -8.1828 -8.1712 -8.0982 -8.0973 -7.9343 -7.9333 -7.5004 -7.4947 -7.3992 -7.3937 -7.2609 -7.2597 -7.2256 -7.2245 -7.1049 -7.1039 -7.0384 -7.0378 -6.6567 -6.6533 -5.6882 -5.6863 -5.4351 -5.4320 0.5106 0.5148 1.1981 1.2004 2.0095 2.0142 2.2570 2.2634 3.5089 3.5339 4.3587 4.3720 4.7413 4.7425 5.8941 5.9024 6.3412 6.3520 7.3618 7.3644 8.5012 8.5395 9.3823 9.4347 10.4574 10.4610 k = 0.6617 0.1387-1.2930 ( 4072 PWs) bands (ev): -8.2181 -8.2061 -8.1841 -8.1705 -8.0984 -8.0973 -7.9343 -7.9332 -7.5017 -7.4949 -7.3995 -7.3932 -7.2610 -7.2597 -7.2257 -7.2245 -7.1050 -7.1038 -7.0386 -7.0378 -6.6586 -6.6543 -5.6853 -5.6832 -5.4365 -5.4329 0.4992 0.5040 1.2198 1.2220 2.0107 2.0161 2.2604 2.2677 3.4831 3.5121 4.3301 4.3452 4.7383 4.7394 5.9099 5.9195 6.4250 6.4385 7.3684 7.3717 8.4726 8.5193 9.2795 9.3396 10.4395 10.4423 k = 0.6617 0.1387-1.2930 ( 4072 PWs) bands (ev): -8.2181 -8.2061 -8.1841 -8.1705 -8.0984 -8.0973 -7.9343 -7.9332 -7.5017 -7.4949 -7.3995 -7.3932 -7.2610 -7.2597 -7.2257 -7.2245 -7.1050 -7.1038 -7.0386 -7.0378 -6.6586 -6.6543 -5.6853 -5.6832 -5.4365 -5.4329 0.4992 0.5040 1.2198 1.2220 2.0107 2.0161 2.2604 2.2677 3.4831 3.5121 4.3301 4.3452 4.7383 4.7394 5.9099 5.9195 6.4250 6.4385 7.3684 7.3717 8.4726 8.5193 9.2795 9.3396 10.4395 10.4423 k = 0.6580 0.1379-1.2622 ( 4078 PWs) bands (ev): -8.2185 -8.2077 -8.1839 -8.1709 -8.0983 -8.0973 -7.9348 -7.9328 -7.5078 -7.4959 -7.4002 -7.3924 -7.2610 -7.2594 -7.2258 -7.2245 -7.1052 -7.1037 -7.0390 -7.0378 -6.6731 -6.6617 -5.6695 -5.6692 -5.4398 -5.4352 0.4951 0.5027 1.2353 1.2373 2.0145 2.0202 2.2650 2.2700 3.4446 3.4798 4.3556 4.3687 4.7429 4.7446 5.9062 5.9174 6.4677 6.4904 7.3675 7.3695 8.4880 8.5325 9.2168 9.2765 10.4242 10.4251 k = 0.6544 0.1372-1.2314 ( 4079 PWs) bands (ev): -8.2195 -8.2100 -8.1837 -8.1712 -8.0981 -8.0972 -7.9353 -7.9323 -7.5159 -7.4990 -7.4006 -7.3914 -7.2609 -7.2592 -7.2259 -7.2246 -7.1054 -7.1036 -7.0395 -7.0379 -6.6923 -6.6745 -5.6476 -5.6472 -5.4445 -5.4385 0.4904 0.5008 1.2510 1.2575 2.0210 2.0269 2.2742 2.2768 3.4062 3.4472 4.3807 4.3917 4.7493 4.7515 5.9057 5.9184 6.5157 6.5474 7.3664 7.3671 8.5025 8.5437 9.1562 9.2141 10.4115 10.4128 k = 0.6507 0.1364-1.2006 ( 4079 PWs) bands (ev): -8.2212 -8.2129 -8.1833 -8.1714 -8.0980 -8.0971 -7.9358 -7.9318 -7.5259 -7.5042 -7.4009 -7.3903 -7.2608 -7.2589 -7.2261 -7.2246 -7.1056 -7.1035 -7.0402 -7.0382 -6.7153 -6.6916 -5.6208 -5.6206 -5.4497 -5.4415 0.4854 0.4984 1.2686 1.2800 2.0302 2.0360 2.2877 2.2879 3.3690 3.4155 4.4055 4.4141 4.7573 4.7601 5.9084 5.9223 6.5683 6.6090 7.3645 7.3652 8.5151 8.5515 9.1004 9.1546 10.4013 10.4049 k = 0.6470 0.1356-1.1698 ( 4081 PWs) bands (ev): -8.2238 -8.2165 -8.1829 -8.1713 -8.0979 -8.0969 -7.9363 -7.9314 -7.5378 -7.5116 -7.4010 -7.3889 -7.2606 -7.2587 -7.2263 -7.2248 -7.1058 -7.1034 -7.0409 -7.0386 -6.7408 -6.7120 -5.5938 -5.5913 -5.4533 -5.4414 0.4805 0.4959 1.2879 1.3043 2.0420 2.0474 2.3027 2.3049 3.3343 3.3858 4.4296 4.4357 4.7669 4.7703 5.9140 5.9287 6.6248 6.6742 7.3617 7.3638 8.5242 8.5535 9.0524 9.1005 10.3942 10.4002 k = 0.6433 0.1348-1.1390 ( 4073 PWs) bands (ev): -8.2273 -8.2209 -8.1824 -8.1711 -8.0978 -8.0968 -7.9368 -7.9310 -7.5515 -7.5211 -7.4010 -7.3874 -7.2603 -7.2584 -7.2265 -7.2249 -7.1060 -7.1033 -7.0417 -7.0391 -6.7677 -6.7347 -5.5725 -5.5661 -5.4498 -5.4332 0.4758 0.4936 1.3084 1.3301 2.0561 2.0611 2.3206 2.3255 3.3032 3.3593 4.4531 4.4565 4.7780 4.7820 5.9223 5.9374 6.6842 6.7421 7.3585 7.3622 8.5278 8.5473 9.0157 9.0547 10.3898 10.3985 k = 0.6397 0.1341-1.1082 ( 4066 PWs) bands (ev): -8.2317 -8.2261 -8.1818 -8.1706 -8.0976 -8.0966 -7.9372 -7.9306 -7.5668 -7.5326 -7.4009 -7.3856 -7.2600 -7.2581 -7.2268 -7.2251 -7.1062 -7.1032 -7.0426 -7.0397 -6.7951 -6.7585 -5.5631 -5.5540 -5.4313 -5.4115 0.4718 0.4918 1.3297 1.3569 2.0725 2.0769 2.3412 2.3488 3.2771 3.3373 4.4757 4.4763 4.7906 4.7952 5.9329 5.9482 6.7456 6.8118 7.3549 7.3603 8.5238 8.5309 8.9932 9.0207 10.3878 10.3992 k = 0.6360 0.1333-1.0774 ( 4076 PWs) bands (ev): -8.2373 -8.2322 -8.1810 -8.1698 -8.0975 -8.0964 -7.9377 -7.9302 -7.5837 -7.5461 -7.4006 -7.3837 -7.2597 -7.2579 -7.2271 -7.2253 -7.1064 -7.1032 -7.0436 -7.0405 -6.8222 -6.7828 -5.5661 -5.5573 -5.3964 -5.3766 0.4687 0.4908 1.3514 1.3840 2.0910 2.0946 2.3636 2.3744 3.2573 3.3210 4.4950 4.4975 4.8046 4.8097 5.9454 5.9606 6.8078 6.8821 7.3508 7.3580 8.5042 8.5105 8.9858 9.0009 10.3877 10.4020 k = 0.6323 0.1325-1.0466 ( 4076 PWs) bands (ev): -8.2440 -8.2392 -8.1802 -8.1688 -8.0974 -8.0962 -7.9381 -7.9299 -7.6020 -7.5614 -7.4002 -7.3816 -7.2594 -7.2577 -7.2274 -7.2256 -7.1066 -7.1031 -7.0446 -7.0415 -6.8483 -6.8068 -5.5777 -5.5701 -5.3516 -5.3329 0.4668 0.4910 1.3730 1.4110 2.1115 2.1142 2.3872 2.4015 3.2451 3.3116 4.5128 4.5184 4.8200 4.8256 5.9596 5.9743 6.8696 6.9520 7.3462 7.3554 8.4693 8.4880 8.9926 8.9964 10.3890 10.4061 k = 0.6286 0.1318-1.0158 ( 4081 PWs) bands (ev): -8.2518 -8.2474 -8.1791 -8.1675 -8.0973 -8.0959 -7.9385 -7.9296 -7.6214 -7.5784 -7.3997 -7.3794 -7.2590 -7.2575 -7.2278 -7.2259 -7.1068 -7.1031 -7.0457 -7.0425 -6.8731 -6.8302 -5.5946 -5.5882 -5.3016 -5.2842 0.4665 0.4927 1.3937 1.4369 2.1339 2.1356 2.4117 2.4298 3.2417 3.3100 4.5295 4.5382 4.8366 4.8427 5.9747 5.9888 6.9299 7.0199 7.3410 7.3524 8.4297 8.4585 9.0063 9.0112 10.3911 10.4110 k = 0.6250 0.1310-0.9850 ( 4082 PWs) bands (ev): -8.2609 -8.2567 -8.1780 -8.1660 -8.0972 -8.0957 -7.9389 -7.9293 -7.6418 -7.5968 -7.3990 -7.3769 -7.2586 -7.2573 -7.2282 -7.2262 -7.1070 -7.1030 -7.0469 -7.0438 -6.8961 -6.8525 -5.6150 -5.6097 -5.2490 -5.2328 0.4680 0.4961 1.4130 1.4610 2.1582 2.1587 2.4368 2.4592 3.2479 3.3170 4.5451 4.5570 4.8544 4.8611 5.9903 6.0036 6.9870 7.0845 7.3354 7.3490 8.3887 8.4252 9.0287 9.0392 10.3934 10.4158 k = 0.6213 0.1302-0.9542 ( 4084 PWs) bands (ev): -8.2713 -8.2672 -8.1767 -8.1644 -8.0971 -8.0954 -7.9393 -7.9291 -7.6627 -7.6164 -7.3982 -7.3744 -7.2583 -7.2572 -7.2286 -7.2265 -7.1072 -7.1030 -7.0481 -7.0451 -6.9172 -6.8735 -5.6379 -5.6336 -5.1950 -5.1799 0.4717 0.5016 1.4301 1.4824 2.1836 2.1842 2.4630 2.4899 3.2639 3.3331 4.5596 4.5747 4.8734 4.8805 6.0057 6.0180 7.0396 7.1439 7.3297 7.3455 8.3491 8.3914 9.0614 9.0748 10.3952 10.4196 k = 0.6176 0.1295-0.9234 ( 4088 PWs) bands (ev): -8.2830 -8.2790 -8.1753 -8.1626 -8.0970 -8.0951 -7.9397 -7.9289 -7.6839 -7.6367 -7.3972 -7.3716 -7.2579 -7.2571 -7.2291 -7.2268 -7.1074 -7.1029 -7.0494 -7.0467 -6.9363 -6.8931 -5.6629 -5.6593 -5.1405 -5.1264 0.4779 0.5095 1.4442 1.5000 2.2101 2.2119 2.4909 2.5222 3.2899 3.3582 4.5731 4.5913 4.8935 4.9011 6.0199 6.0313 7.0859 7.1955 7.3251 7.3420 8.3134 8.3600 9.1028 9.1168 10.3958 10.4215 k = 0.6139 0.1287-0.8926 ( 4079 PWs) bands (ev): -8.2961 -8.2922 -8.1737 -8.1607 -8.0970 -8.0947 -7.9400 -7.9287 -7.7051 -7.6576 -7.3960 -7.3687 -7.2575 -7.2570 -7.2295 -7.2272 -7.1076 -7.1029 -7.0506 -7.0484 -6.9533 -6.9112 -5.6894 -5.6867 -5.0860 -5.0729 0.4867 0.5200 1.4549 1.5130 2.2383 2.2411 2.5216 2.5569 3.3252 3.3921 4.5856 4.6068 4.9148 4.9228 6.0323 6.0428 7.1242 7.2346 7.3248 7.3392 8.2831 8.3331 9.1518 9.1643 10.3947 10.4206 k = 0.6103 0.1279-0.8618 ( 4074 PWs) bands (ev): -8.3105 -8.3069 -8.1720 -8.1588 -8.0970 -8.0944 -7.9403 -7.9286 -7.7260 -7.6786 -7.3947 -7.3657 -7.2572 -7.2569 -7.2300 -7.2276 -7.1079 -7.1028 -7.0519 -7.0503 -6.9683 -6.9280 -5.7172 -5.7152 -5.0320 -5.0199 0.4985 0.5335 1.4616 1.5210 2.2680 2.2719 2.5561 2.5947 3.3690 3.4341 4.5971 4.6212 4.9371 4.9456 6.0418 6.0517 7.1528 7.2539 7.3351 7.3378 8.2593 8.3123 9.2077 9.2167 10.3915 10.4164 k = 0.6066 0.1271-0.8310 ( 4071 PWs) bands (ev): -8.3264 -8.3229 -8.1702 -8.1567 -8.0969 -8.0940 -7.9406 -7.9285 -7.7463 -7.6993 -7.3931 -7.3625 -7.2569 -7.2568 -7.2304 -7.2280 -7.1082 -7.1027 -7.0532 -7.0524 -6.9814 -6.9433 -5.7461 -5.7449 -4.9789 -4.9676 0.5134 0.5500 1.4642 1.5234 2.2993 2.3040 2.5955 2.6365 3.4203 3.4834 4.6078 4.6345 4.9605 4.9694 6.0477 6.0571 7.1705 7.2541 7.3381 7.3547 8.2428 8.2984 9.2698 9.2735 10.3863 10.4089 k = 0.6029 0.1264-0.8002 ( 4075 PWs) bands (ev): -8.3436 -8.3404 -8.1683 -8.1547 -8.0969 -8.0935 -7.9408 -7.9284 -7.7658 -7.7196 -7.3914 -7.3592 -7.2569 -7.2565 -7.2308 -7.2284 -7.1085 -7.1027 -7.0547 -7.0545 -6.9927 -6.9572 -5.7758 -5.7754 -4.9270 -4.9166 0.5315 0.5699 1.4625 1.5205 2.3320 2.3375 2.6402 2.6827 3.4781 3.5390 4.6176 4.6467 4.9849 4.9941 6.0492 6.0585 7.1772 7.2445 7.3400 7.3740 8.2335 8.2914 9.3340 9.3375 10.3796 10.3988 k = 0.5992 0.1256-0.7694 ( 4073 PWs) bands (ev): -8.3621 -8.3592 -8.1663 -8.1526 -8.0969 -8.0931 -7.9410 -7.9285 -7.7843 -7.7392 -7.3894 -7.3558 -7.2569 -7.2562 -7.2313 -7.2289 -7.1089 -7.1026 -7.0572 -7.0559 -7.0024 -6.9699 -5.8066 -5.8062 -4.8766 -4.8669 0.5531 0.5932 1.4568 1.5125 2.3661 2.3721 2.6904 2.7337 3.5412 3.6000 4.6268 4.6579 5.0103 5.0198 6.0455 6.0552 7.1744 7.2300 7.3421 7.3885 8.2310 8.2910 9.3976 9.4100 10.3727 10.3875 k = 0.5956 0.1248-0.7386 ( 4078 PWs) bands (ev): -8.3819 -8.3793 -8.1642 -8.1505 -8.0970 -8.0926 -7.9412 -7.9285 -7.8015 -7.7578 -7.3872 -7.3522 -7.2569 -7.2559 -7.2317 -7.2293 -7.1093 -7.1025 -7.0597 -7.0572 -7.0107 -6.9815 -5.8383 -5.8372 -4.8278 -4.8188 0.5781 0.6199 1.4476 1.5000 2.4015 2.4080 2.7462 2.7895 3.6087 3.6655 4.6355 4.6682 5.0365 5.0463 6.0362 6.0469 7.1641 7.2122 7.3428 7.3968 8.2345 8.2964 9.4633 9.4864 10.3673 10.3773 k = 0.5919 0.1241-0.7078 ( 4075 PWs) bands (ev): -8.4028 -8.4005 -8.1621 -8.1485 -8.0970 -8.0920 -7.9414 -7.9286 -7.8175 -7.7753 -7.3848 -7.3485 -7.2570 -7.2556 -7.2321 -7.2298 -7.1099 -7.1024 -7.0623 -7.0585 -7.0176 -6.9920 -5.8704 -5.8684 -4.7809 -4.7726 0.6066 0.6502 1.4355 1.4840 2.4381 2.4449 2.8069 2.8497 3.6796 3.7346 4.6439 4.6777 5.0636 5.0736 6.0213 6.0337 7.1479 7.1917 7.3406 7.3991 8.2433 8.3066 9.5299 9.5651 10.3657 10.3705 k = 0.5882 0.1233-0.6770 ( 4065 PWs) bands (ev): -8.4246 -8.4227 -8.1598 -8.1464 -8.0970 -8.0915 -7.9416 -7.9288 -7.8322 -7.7917 -7.3822 -7.3447 -7.2570 -7.2553 -7.2325 -7.2302 -7.1105 -7.1023 -7.0649 -7.0597 -7.0235 -7.0016 -5.9027 -5.8999 -4.7359 -4.7283 0.6384 0.6840 1.4213 1.4652 2.4758 2.4829 2.8720 2.9139 3.7530 3.8062 4.6521 4.6864 5.0913 5.1016 6.0009 6.0157 7.1271 7.1688 7.3347 7.3955 8.2563 8.3208 9.5959 9.6443 10.3696 10.3707 k = 0.5845 0.1225-0.6462 ( 4059 PWs) bands (ev): -8.4472 -8.4457 -8.1575 -8.1445 -8.0970 -8.0908 -7.9417 -7.9290 -7.8456 -7.8068 -7.3793 -7.3409 -7.2570 -7.2551 -7.2328 -7.2307 -7.1112 -7.1023 -7.0674 -7.0610 -7.0284 -7.0103 -5.9350 -5.9314 -4.6931 -4.6861 0.6734 0.7211 1.4057 1.4447 2.5145 2.5218 2.9406 2.9815 3.8281 3.8797 4.6604 4.6944 5.1196 5.1301 5.9756 5.9936 7.1025 7.1435 7.3242 7.3862 8.2728 8.3381 9.6595 9.7215 10.3770 10.3852 k = 0.5809 0.1218-0.6154 ( 4054 PWs) bands (ev): -8.4705 -8.4692 -8.1552 -8.1426 -8.0971 -8.0902 -7.9418 -7.9293 -7.8576 -7.8208 -7.3762 -7.3369 -7.2570 -7.2549 -7.2332 -7.2312 -7.1120 -7.1022 -7.0698 -7.0622 -7.0326 -7.0182 -5.9672 -5.9629 -4.6526 -4.6461 0.7111 0.7611 1.3898 1.4235 2.5541 2.5617 3.0118 3.0517 3.9039 3.9539 4.6691 4.7020 5.1484 5.1590 5.9461 5.9682 7.0747 7.1158 7.3088 7.3712 8.2919 8.3580 9.7190 9.7937 10.3946 10.4122 k = 0.5772 0.1210-0.5846 ( 4066 PWs) bands (ev): -8.4941 -8.4932 -8.1528 -8.1408 -8.0971 -8.0895 -7.9419 -7.9297 -7.8684 -7.8335 -7.3728 -7.3329 -7.2569 -7.2547 -7.2335 -7.2316 -7.1129 -7.1021 -7.0719 -7.0634 -7.0363 -7.0253 -5.9992 -5.9941 -4.6142 -4.6083 0.7509 0.8035 1.3747 1.4028 2.5944 2.6022 3.0846 3.1236 3.9796 4.0281 4.6785 4.7094 5.1775 5.1882 5.9137 5.9410 7.0440 7.0859 7.2881 7.3504 8.3129 8.3798 9.7732 9.8585 10.4232 10.4540 k = 0.5735 0.1202-0.5538 ( 4060 PWs) bands (ev): -8.5179 -8.5173 -8.1505 -8.1391 -8.0971 -8.0888 -7.9419 -7.9302 -7.8781 -7.8451 -7.3692 -7.3289 -7.2568 -7.2545 -7.2338 -7.2320 -7.1138 -7.1021 -7.0737 -7.0645 -7.0394 -7.0318 -6.0309 -6.0250 -4.5783 -4.5728 0.7921 0.8474 1.3616 1.3839 2.6353 2.6434 3.1580 3.1964 4.0542 4.1010 4.6889 4.7167 5.2068 5.2175 5.8798 5.9134 7.0106 7.0538 7.2618 7.3238 8.3348 8.4028 9.8215 9.9146 10.4624 10.5111 k = 0.5698 0.1194-0.5230 ( 4065 PWs) bands (ev): -8.5417 -8.5414 -8.1481 -8.1376 -8.0970 -8.0881 -7.9420 -7.9307 -7.8866 -7.8557 -7.3653 -7.3250 -7.2566 -7.2543 -7.2341 -7.2324 -7.1148 -7.1021 -7.0752 -7.0656 -7.0423 -7.0377 -6.0620 -6.0554 -4.5446 -4.5396 0.8332 0.8915 1.3522 1.3687 2.6766 2.6851 3.2307 3.2689 4.1267 4.1714 4.7006 4.7244 5.2362 5.2468 5.8463 5.8871 6.9749 7.0197 7.2300 7.2913 8.3568 8.4260 9.8644 9.9623 10.5101 10.5817 k = 0.5662 0.1187-0.4922 ( 4061 PWs) bands (ev): -8.5653 -8.5652 -8.1458 -8.1361 -8.0970 -8.0873 -7.9420 -7.9314 -7.8940 -7.8652 -7.3613 -7.3210 -7.2563 -7.2542 -7.2343 -7.2328 -7.1158 -7.1022 -7.0766 -7.0667 -7.0448 -7.0430 -6.0925 -6.0853 -4.5132 -4.5087 0.8725 0.9336 1.3486 1.3595 2.7182 2.7270 3.3013 3.3398 4.1961 4.2378 4.7138 4.7333 5.2655 5.2759 5.8152 5.8642 6.9371 6.9838 7.1929 7.2533 8.3775 8.4481 9.9031 10.0036 10.5632 10.6618 k = 0.5625 0.1179-0.4614 ( 4061 PWs) bands (ev): -8.5886 -8.5885 -8.1435 -8.1347 -8.0969 -8.0866 -7.9420 -7.9322 -7.9005 -7.8739 -7.3570 -7.3172 -7.2558 -7.2540 -7.2345 -7.2331 -7.1168 -7.1023 -7.0776 -7.0678 -7.0477 -7.0471 -6.1223 -6.1144 -4.4842 -4.4800 0.9076 0.9706 1.3533 1.3595 2.7598 2.7690 3.3684 3.4079 4.2615 4.2984 4.7286 4.7444 5.2947 5.3047 5.7887 5.8466 6.8974 6.9465 7.1508 7.2100 8.3956 8.4679 9.9389 10.0406 10.6174 10.7458 k = 0.5588 0.1171-0.4306 ( 4062 PWs) bands (ev): -8.6115 -8.6111 -8.1413 -8.1334 -8.0967 -8.0859 -7.9420 -7.9332 -7.9060 -7.8817 -7.3526 -7.3136 -7.2552 -7.2538 -7.2347 -7.2333 -7.1178 -7.1025 -7.0785 -7.0690 -7.0519 -7.0492 -6.1512 -6.1428 -4.4574 -4.4536 0.9360 0.9990 1.3689 1.3725 2.8011 2.8109 3.4302 3.4715 4.3221 4.3509 4.7452 4.7593 5.3236 5.3331 5.7692 5.8363 6.8560 6.9080 7.1044 7.1619 8.4097 8.4837 9.9729 10.0752 10.6686 10.8271 k = 0.5551 0.1164-0.3998 ( 4066 PWs) bands (ev): -8.6336 -8.6331 -8.1392 -8.1322 -8.0965 -8.0852 -7.9420 -7.9343 -7.9107 -7.8887 -7.3480 -7.3101 -7.2545 -7.2537 -7.2349 -7.2336 -7.1187 -7.1028 -7.0792 -7.0701 -7.0555 -7.0511 -6.1791 -6.1702 -4.4328 -4.4293 0.9559 1.0164 1.3971 1.4007 2.8420 2.8524 3.4850 3.5289 4.3773 4.3934 4.7634 4.7801 5.3521 5.3610 5.7589 5.8350 6.8132 6.8687 7.0543 7.1095 8.4184 8.4940 10.0058 10.1086 10.7127 10.8982 k = 0.5515 0.1156-0.3690 ( 4070 PWs) bands (ev): -8.6548 -8.6542 -8.1371 -8.1312 -8.0962 -8.0845 -7.9420 -7.9356 -7.9145 -7.8950 -7.3433 -7.3068 -7.2536 -7.2535 -7.2351 -7.2338 -7.1195 -7.1031 -7.0797 -7.0713 -7.0586 -7.0529 -6.2059 -6.1966 -4.4103 -4.4071 0.9671 1.0229 1.4382 1.4441 2.8821 2.8933 3.5309 3.5780 4.4244 4.4263 4.7837 4.8087 5.3800 5.3886 5.7595 5.8439 6.7692 6.8291 7.0012 7.0535 8.4204 8.4974 10.0373 10.1406 10.7468 10.9529 k = 0.5478 0.1148-0.3381 ( 4073 PWs) bands (ev): -8.6750 -8.6743 -8.1352 -8.1302 -8.0958 -8.0839 -7.9420 -7.9371 -7.9176 -7.9007 -7.3386 -7.3039 -7.2532 -7.2525 -7.2352 -7.2339 -7.1203 -7.1036 -7.0801 -7.0727 -7.0610 -7.0546 -6.2315 -6.2219 -4.3898 -4.3869 0.9708 1.0209 1.4908 1.5000 2.9211 2.9332 3.5663 3.6168 4.4445 4.4685 4.8071 4.8458 5.4071 5.4159 5.7720 5.8638 6.7243 6.7895 6.9461 6.9944 8.4148 8.4928 10.0664 10.1705 10.7694 10.9240 k = 0.5441 0.1140-0.3073 ( 4070 PWs) bands (ev): -8.6940 -8.6933 -8.1335 -8.1293 -8.0954 -8.0834 -7.9421 -7.9386 -7.9201 -7.9058 -7.3338 -7.3013 -7.2529 -7.2512 -7.2353 -7.2340 -7.1209 -7.1043 -7.0805 -7.0740 -7.0629 -7.0561 -6.2557 -6.2459 -4.3714 -4.3687 0.9690 1.0133 1.5526 1.5655 2.9585 2.9717 3.5897 3.6434 4.4558 4.5029 4.8356 4.8912 5.4333 5.4429 5.7966 5.8942 6.6784 6.7503 6.8898 6.9330 8.4011 8.4792 10.0916 10.1960 10.7816 10.8691 k = 0.5404 0.1133-0.2765 ( 4074 PWs) bands (ev): -8.7119 -8.7112 -8.1318 -8.1285 -8.0948 -8.0830 -7.9421 -7.9402 -7.9221 -7.9103 -7.3290 -7.2990 -7.2526 -7.2498 -7.2353 -7.2340 -7.1214 -7.1050 -7.0808 -7.0755 -7.0644 -7.0575 -6.2785 -6.2687 -4.3548 -4.3524 0.9636 1.0025 1.6216 1.6377 2.9941 3.0086 3.6006 3.6564 4.4614 4.5283 4.8712 4.9436 5.4583 5.4695 5.8321 5.9344 6.6315 6.7121 6.8335 6.8698 8.3789 8.4565 10.1107 10.2143 10.7866 10.8229 k = 0.5368 0.1125-0.2457 ( 4076 PWs) bands (ev): -8.7284 -8.7277 -8.1304 -8.1278 -8.0942 -8.0826 -7.9422 -7.9418 -7.9236 -7.9143 -7.3244 -7.2970 -7.2521 -7.2484 -7.2353 -7.2340 -7.1218 -7.1059 -7.0810 -7.0768 -7.0654 -7.0588 -6.2996 -6.2900 -4.3400 -4.3379 0.9561 0.9900 1.6957 1.7147 3.0272 3.0433 3.5989 3.6551 4.4643 4.5448 4.9157 5.0018 5.4820 5.4954 5.8767 5.9826 6.5835 6.6751 6.7787 6.8060 8.3487 8.4249 10.1218 10.2222 10.7889 10.7893 k = 0.5331 0.1117-0.2149 ( 4078 PWs) bands (ev): -8.7436 -8.7429 -8.1291 -8.1272 -8.0934 -8.0823 -7.9432 -7.9424 -7.9249 -7.9177 -7.3199 -7.2955 -7.2516 -7.2469 -7.2353 -7.2339 -7.1221 -7.1069 -7.0812 -7.0780 -7.0662 -7.0600 -6.3191 -6.3097 -4.3269 -4.3250 0.9476 0.9770 1.7735 1.7947 3.0572 3.0753 3.5857 3.6400 4.4668 4.5534 4.9688 5.0645 5.5044 5.5205 5.9278 6.0363 6.5340 6.6393 6.7269 6.7430 8.3113 8.3851 10.1240 10.2177 10.7700 10.7921 k = 0.5294 0.1110-0.1841 ( 4080 PWs) bands (ev): -8.7574 -8.7567 -8.1280 -8.1266 -8.0926 -8.0822 -7.9444 -7.9427 -7.9259 -7.9207 -7.3156 -7.2942 -7.2510 -7.2455 -7.2351 -7.2338 -7.1222 -7.1081 -7.0814 -7.0791 -7.0667 -7.0611 -6.3367 -6.3278 -4.3154 -4.3137 0.9389 0.9642 1.8534 1.8765 3.0833 3.1039 3.5628 3.6128 4.4699 4.5561 5.0290 5.1303 5.5257 5.5446 5.9821 6.0924 6.4834 6.6032 6.6802 6.6840 8.2679 8.3383 10.1177 10.2016 10.7633 10.7976 k = 0.5257 0.1102-0.1533 ( 4091 PWs) bands (ev): -8.7696 -8.7690 -8.1271 -8.1261 -8.0917 -8.0821 -7.9455 -7.9430 -7.9268 -7.9232 -7.3116 -7.2933 -7.2502 -7.2444 -7.2348 -7.2337 -7.1222 -7.1093 -7.0816 -7.0800 -7.0670 -7.0621 -6.3525 -6.3442 -4.3055 -4.3040 0.9305 0.9521 1.9340 1.9585 3.1047 3.1283 3.5327 3.5761 4.4740 4.5548 5.0939 5.1975 5.5464 5.5680 6.0354 6.1460 6.4328 6.5628 6.6354 6.6405 8.2202 8.2863 10.1047 10.1769 10.7657 10.8045 k = 0.5221 0.1094-0.1225 ( 4091 PWs) bands (ev): -8.7803 -8.7797 -8.1263 -8.1257 -8.0908 -8.0822 -7.9463 -7.9435 -7.9275 -7.9252 -7.3079 -7.2926 -7.2494 -7.2435 -7.2345 -7.2335 -7.1220 -7.1106 -7.0817 -7.0807 -7.0672 -7.0630 -6.3662 -6.3588 -4.2970 -4.2958 0.9229 0.9410 2.0140 2.0391 3.1201 3.1472 3.4988 3.5337 4.4790 4.5512 5.1611 5.2637 5.5673 5.5911 6.0825 6.1887 6.3877 6.5156 6.6035 6.6095 8.1705 8.2311 10.0878 10.1478 10.7727 10.8111 k = 0.5184 0.1087-0.0917 ( 4091 PWs) bands (ev): -8.7894 -8.7889 -8.1257 -8.1253 -8.0898 -8.0824 -7.9470 -7.9440 -7.9281 -7.9268 -7.3047 -7.2922 -7.2484 -7.2429 -7.2340 -7.2333 -7.1217 -7.1120 -7.0819 -7.0813 -7.0673 -7.0638 -6.3779 -6.3714 -4.2900 -4.2889 0.9163 0.9310 2.0914 2.1164 3.1284 3.1590 3.4648 3.4899 4.4847 4.5462 5.2276 5.3257 5.5901 5.6145 6.1168 6.2036 6.3615 6.4679 6.5867 6.5892 8.1214 8.1751 10.0696 10.1179 10.7814 10.8163 k = 0.5147 0.1079-0.0609 ( 4095 PWs) bands (ev): -8.7969 -8.7965 -8.1252 -8.1250 -8.0888 -8.0827 -7.9474 -7.9447 -7.9286 -7.9279 -7.3018 -7.2921 -7.2474 -7.2426 -7.2335 -7.2331 -7.1213 -7.1133 -7.0820 -7.0817 -7.0673 -7.0645 -6.3874 -6.3820 -4.2843 -4.2834 0.9109 0.9225 2.1641 2.1878 3.1289 3.1619 3.4347 3.4499 4.4909 4.5406 5.2905 5.3790 5.6171 5.6391 6.1309 6.1796 6.3625 6.4289 6.5811 6.5819 8.0757 8.1214 10.0524 10.0897 10.7900 10.8194 k = 0.5110 0.1071-0.0301 ( 4105 PWs) bands (ev): -8.8027 -8.8024 -8.1248 -8.1248 -8.0878 -8.0832 -7.9476 -7.9453 -7.9290 -7.9287 -7.2994 -7.2923 -7.2465 -7.2426 -7.2330 -7.2328 -7.1207 -7.1146 -7.0821 -7.0820 -7.0673 -7.0651 -6.3947 -6.3905 -4.2798 -4.2792 0.9068 0.9155 2.2290 2.2499 3.1226 3.1547 3.4114 3.4185 4.4972 4.5346 5.3463 5.4186 5.6499 5.6655 6.1215 6.1355 6.3725 6.4038 6.5846 6.5862 8.0367 8.0729 10.0381 10.0653 10.7978 10.8205 k = 0.5074 0.1063 0.0007 ( 4104 PWs) bands (ev): -8.8069 -8.8067 -8.1246 -8.1246 -8.0869 -8.0837 -7.9476 -7.9460 -7.9294 -7.9293 -7.2973 -7.2927 -7.2455 -7.2429 -7.2327 -7.2326 -7.1200 -7.1159 -7.0822 -7.0822 -7.0671 -7.0657 -6.3997 -6.3969 -4.2767 -4.2763 0.9043 0.9100 2.2822 2.2982 3.1135 3.1395 3.3959 3.3981 4.5035 4.5285 5.3917 5.4422 5.6857 5.6929 6.0906 6.0948 6.3790 6.3909 6.5947 6.5956 8.0078 8.0330 10.0282 10.0460 10.8045 10.8199 k = 0.5037 0.1056 0.0315 ( 4104 PWs) bands (ev): -8.8093 -8.8092 -8.1245 -8.1245 -8.0859 -8.0844 -7.9474 -7.9466 -7.9296 -7.9295 -7.2956 -7.2933 -7.2446 -7.2433 -7.2325 -7.2325 -7.1191 -7.1170 -7.0823 -7.0823 -7.0668 -7.0661 -6.4024 -6.4010 -4.2748 -4.2746 0.9033 0.9061 2.3191 2.3279 3.1077 3.1223 3.3873 3.3876 4.5098 4.5223 5.4246 5.4502 5.7155 5.7167 6.0579 6.0650 6.3816 6.3852 6.6043 6.6044 7.9918 8.0048 10.0236 10.0323 10.8100 10.8178 k = 0.5000 0.1048 0.0623 ( 4098 PWs) bands (ev): -8.8101 -8.8101 -8.1244 -8.1244 -8.0851 -8.0851 -7.9471 -7.9471 -7.9296 -7.9296 -7.2943 -7.2943 -7.2439 -7.2439 -7.2324 -7.2324 -7.1181 -7.1181 -7.0823 -7.0823 -7.0665 -7.0665 -6.4028 -6.4028 -4.2741 -4.2741 0.9039 0.9039 2.3351 2.3351 3.1103 3.1103 3.3846 3.3846 4.5161 4.5161 5.4441 5.4441 5.7271 5.7271 6.0487 6.0487 6.3829 6.3829 6.6080 6.6080 7.9907 7.9907 10.0249 10.0249 10.8145 10.8145 k = 0.5000-1.1403-0.6776 ( 4054 PWs) bands (ev): -8.2126 -8.2126 -8.1746 -8.1746 -8.0989 -8.0989 -7.9336 -7.9336 -7.4997 -7.4997 -7.3947 -7.3947 -7.2615 -7.2615 -7.2253 -7.2253 -7.1042 -7.1042 -7.0384 -7.0384 -6.6493 -6.6493 -5.6821 -5.6821 -5.4421 -5.4421 0.4113 0.4113 1.3780 1.3780 2.0225 2.0225 2.3018 2.3018 3.4938 3.4938 3.9059 3.9059 4.7029 4.7029 6.1308 6.1308 7.4075 7.4075 7.5517 7.5517 7.7536 7.7536 8.5892 8.5892 10.5189 10.5189 k = 0.5270-1.1316-0.6725 ( 4055 PWs) bands (ev): -8.2138 -8.2113 -8.1761 -8.1733 -8.0990 -8.0988 -7.9336 -7.9335 -7.4999 -7.4994 -7.3953 -7.3942 -7.2616 -7.2614 -7.2255 -7.2252 -7.1043 -7.1041 -7.0385 -7.0384 -6.6495 -6.6492 -5.6827 -5.6817 -5.4424 -5.4417 0.4119 0.4122 1.3759 1.3771 2.0218 2.0229 2.3003 2.3027 3.4879 3.4962 3.9085 3.9147 4.7032 4.7032 6.1278 6.1293 7.3887 7.4052 7.4937 7.5485 7.7661 7.8178 8.5870 8.6032 10.5165 10.5177 k = 0.5539-1.1228-0.6673 ( 4060 PWs) bands (ev): -8.2149 -8.2099 -8.1776 -8.1722 -8.0991 -8.0987 -7.9336 -7.9335 -7.5001 -7.4991 -7.3959 -7.3937 -7.2617 -7.2612 -7.2256 -7.2251 -7.1044 -7.1040 -7.0385 -7.0383 -6.6498 -6.6492 -5.6833 -5.6815 -5.4425 -5.4410 0.4141 0.4148 1.3710 1.3732 2.0210 2.0231 2.2982 2.3030 3.4793 3.4950 3.9224 3.9338 4.7041 4.7042 6.1204 6.1233 7.3428 7.3571 7.4506 7.5075 7.8377 7.9066 8.5966 8.6286 10.5109 10.5131 k = 0.5809-1.1141-0.6621 ( 4060 PWs) bands (ev): -8.2159 -8.2085 -8.1793 -8.1712 -8.0991 -8.0985 -7.9337 -7.9335 -7.5003 -7.4987 -7.3965 -7.3933 -7.2618 -7.2611 -7.2257 -7.2249 -7.1045 -7.1039 -7.0386 -7.0383 -6.6502 -6.6493 -5.6839 -5.6813 -5.4424 -5.4403 0.4178 0.4189 1.3633 1.3665 2.0201 2.0232 2.2956 2.3025 3.4696 3.4913 3.9462 3.9617 4.7056 4.7057 6.1088 6.1130 7.2672 7.2672 7.4390 7.4780 7.9216 7.9991 8.6186 8.6656 10.5023 10.5054 k = 0.6078-1.1054-0.6569 ( 4064 PWs) bands (ev): -8.2168 -8.2071 -8.1809 -8.1704 -8.0991 -8.0983 -7.9337 -7.9335 -7.5004 -7.4983 -7.3971 -7.3930 -7.2618 -7.2609 -7.2258 -7.2248 -7.1046 -7.1039 -7.0386 -7.0382 -6.6507 -6.6496 -5.6846 -5.6813 -5.4421 -5.4394 0.4230 0.4245 1.3531 1.3571 2.0190 2.0230 2.2925 2.3012 3.4603 3.4865 3.9782 3.9965 4.7077 4.7078 6.0933 6.0989 7.1676 7.1750 7.4326 7.4598 8.0048 8.0883 8.6536 8.7138 10.4916 10.4954 k = 0.6348-1.0966-0.6517 ( 4074 PWs) bands (ev): -8.2175 -8.2058 -8.1825 -8.1697 -8.0991 -8.0982 -7.9338 -7.9334 -7.5005 -7.4979 -7.3976 -7.3927 -7.2618 -7.2607 -7.2259 -7.2247 -7.1047 -7.1038 -7.0386 -7.0382 -6.6511 -6.6501 -5.6852 -5.6815 -5.4417 -5.4385 0.4296 0.4315 1.3406 1.3452 2.0179 2.0226 2.2890 2.2990 3.4527 3.4821 4.0164 4.0364 4.7103 4.7105 6.0746 6.0813 7.0661 7.0766 7.4260 7.4462 8.0836 8.1708 8.7021 8.7727 10.4796 10.4838 k = 0.6617-1.0879-0.6465 ( 4078 PWs) bands (ev): -8.2180 -8.2046 -8.1840 -8.1693 -8.0991 -8.0980 -7.9339 -7.9334 -7.5006 -7.4975 -7.3982 -7.3926 -7.2618 -7.2605 -7.2259 -7.2246 -7.1048 -7.1038 -7.0386 -7.0381 -6.6516 -6.6507 -5.6858 -5.6817 -5.4411 -5.4375 0.4374 0.4397 1.3262 1.3311 2.0167 2.0220 2.2850 2.2959 3.4478 3.4792 4.0591 4.0799 4.7134 4.7137 6.0531 6.0609 6.9651 6.9769 7.4187 7.4342 8.1566 8.2445 8.7638 8.8411 10.4672 10.4715 k = 0.6887-1.0792-0.6413 ( 4086 PWs) bands (ev): -8.2185 -8.2037 -8.1852 -8.1690 -8.0990 -8.0978 -7.9339 -7.9334 -7.5007 -7.4970 -7.3986 -7.3925 -7.2617 -7.2603 -7.2259 -7.2245 -7.1049 -7.1037 -7.0386 -7.0380 -6.6521 -6.6516 -5.6863 -5.6820 -5.4405 -5.4366 0.4463 0.4490 1.3101 1.3152 2.0155 2.0212 2.2808 2.2920 3.4460 3.4784 4.1046 4.1256 4.7169 4.7173 6.0295 6.0382 6.8659 6.8782 7.4106 7.4228 8.2236 8.3088 8.8373 8.9175 10.4554 10.4597 k = 0.7156-1.0704-0.6361 ( 4082 PWs) bands (ev): -8.2187 -8.2032 -8.1860 -8.1690 -8.0989 -8.0977 -7.9340 -7.9334 -7.5008 -7.4965 -7.3990 -7.3925 -7.2616 -7.2601 -7.2259 -7.2245 -7.1049 -7.1037 -7.0386 -7.0380 -6.6526 -6.6526 -5.6866 -5.6823 -5.4397 -5.4356 0.4561 0.4593 1.2928 1.2977 2.0143 2.0203 2.2764 2.2875 3.4475 3.4803 4.1517 4.1724 4.7208 4.7212 6.0047 6.0141 6.7692 6.7818 7.4020 7.4117 8.2845 8.3644 8.9199 8.9996 10.4452 10.4492 k = 0.7426-1.0617-0.6309 ( 4079 PWs) bands (ev): -8.2188 -8.2032 -8.1863 -8.1691 -8.0988 -8.0976 -7.9341 -7.9333 -7.5010 -7.4961 -7.3993 -7.3925 -7.2615 -7.2600 -7.2259 -7.2244 -7.1050 -7.1037 -7.0386 -7.0379 -6.6538 -6.6530 -5.6867 -5.6826 -5.4389 -5.4347 0.4666 0.4702 1.2747 1.2792 2.0132 2.0193 2.2719 2.2826 3.4523 3.4848 4.1990 4.2189 4.7250 4.7255 5.9794 5.9893 6.6761 6.6888 7.3932 7.4009 8.3397 8.4124 9.0085 9.0853 10.4375 10.4412 k = 0.7695-1.0530-0.6257 ( 4081 PWs) bands (ev): -8.2187 -8.2037 -8.1860 -8.1694 -8.0987 -8.0974 -7.9342 -7.9333 -7.5012 -7.4957 -7.3995 -7.3927 -7.2613 -7.2598 -7.2259 -7.2244 -7.1050 -7.1037 -7.0386 -7.0379 -6.6552 -6.6535 -5.6865 -5.6829 -5.4380 -5.4340 0.4775 0.4815 1.2562 1.2601 2.0122 2.0182 2.2676 2.2774 3.4602 3.4919 4.2453 4.2640 4.7293 4.7300 5.9545 5.9647 6.5871 6.6001 7.3845 7.3905 8.3894 8.4538 9.0999 9.1721 10.4334 10.4367 k = 0.7965-1.0442-0.6206 ( 4075 PWs) bands (ev): -8.2185 -8.2048 -8.1852 -8.1699 -8.0985 -8.0974 -7.9343 -7.9333 -7.5014 -7.4953 -7.3996 -7.3929 -7.2612 -7.2597 -7.2258 -7.2244 -7.1050 -7.1037 -7.0386 -7.0378 -6.6568 -6.6539 -5.6861 -5.6832 -5.4372 -5.4333 0.4885 0.4929 1.2377 1.2409 2.0113 2.0171 2.2637 2.2724 3.4706 3.5011 4.2895 4.3065 4.7338 4.7347 5.9310 5.9411 6.5031 6.5163 7.3762 7.3807 8.4337 8.4893 9.1911 9.2577 10.4338 10.4368 k = 0.8234-1.0355-0.6154 ( 4072 PWs) bands (ev): -8.2181 -8.2061 -8.1841 -8.1705 -8.0984 -8.0973 -7.9343 -7.9332 -7.5017 -7.4949 -7.3995 -7.3932 -7.2610 -7.2597 -7.2257 -7.2245 -7.1050 -7.1038 -7.0386 -7.0378 -6.6586 -6.6543 -5.6853 -5.6832 -5.4365 -5.4329 0.4992 0.5040 1.2198 1.2220 2.0107 2.0161 2.2604 2.2677 3.4831 3.5121 4.3301 4.3452 4.7383 4.7394 5.9099 5.9195 6.4250 6.4385 7.3684 7.3717 8.4726 8.5193 9.2795 9.3396 10.4395 10.4423 Writing output data file In2Se3.save init_run : 3.27s CPU 12.06s WALL ( 1 calls) electrons : 858.29s CPU 865.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 858.27s CPU 865.21s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.06s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.06s CPU 0.66s WALL ( 1 calls) newd : 0.24s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 292 calls) cegterg : 758.84s CPU 762.61s WALL ( 561 calls) Called by sum_band: Called by *egterg: h_psi : 578.19s CPU 584.30s WALL ( 7871 calls) s_psi : 15.87s CPU 16.10s WALL ( 7871 calls) g_psi : 0.49s CPU 0.51s WALL ( 7018 calls) cdiaghg : 140.16s CPU 138.72s WALL ( 7310 calls) cegterg:over : 37.36s CPU 35.49s WALL ( 7018 calls) cegterg:upda : 7.38s CPU 9.41s WALL ( 7018 calls) cegterg:last : 6.89s CPU 7.42s WALL ( 1437 calls) Called by h_psi: h_psi:vloc : 544.58s CPU 549.47s WALL ( 7871 calls) h_psi:vnl : 33.37s CPU 34.25s WALL ( 7871 calls) add_vuspsi : 10.02s CPU 12.52s WALL ( 7871 calls) General routines calbec : 23.31s CPU 21.62s WALL ( 7871 calls) fft : 0.40s CPU 1.17s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 506.39s CPU 507.53s WALL ( 907392 calls) interpolate : 0.04s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 2.64s WALL ( 584 calls) Parallel routines fft_scatter : 235.27s CPU 232.05s WALL ( 907415 calls) PWSCF : 15m15.40s CPU 17m16.20s WALL This run was terminated on: 8: 3:17 24Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=