Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:36:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlCl3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 43 12 1873 1388 209 Max 54 44 13 1878 1403 214 Sum 1921 1577 443 67503 50209 7561 bravais-lattice index = 14 lattice parameter (alat) = 11.1682 a.u. unit-cell volume = 1192.3758 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.168191 celldm(2)= 1.000000 celldm(3)= 1.040279 celldm(4)= 0.156689 celldm(5)= 0.156689 celldm(6)= -0.499315 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.499315 0.866421 0.000000 ) a(3) = ( 0.163000 0.282067 0.987952 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.576296 -0.329525 ) b(2) = ( 0.000000 1.154174 -0.329525 ) b(3) = ( 0.000000 0.000000 1.012195 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0090131 0.0155970 -0.0044530), wk = 0.0033113 k( 3) = ( 0.0180263 0.0311939 -0.0089061), wk = 0.0033113 k( 4) = ( 0.0270394 0.0467908 -0.0133591), wk = 0.0033113 k( 5) = ( 0.0360525 0.0623878 -0.0178122), wk = 0.0033113 k( 6) = ( 0.0450656 0.0779847 -0.0222652), wk = 0.0033113 k( 7) = ( 0.0540788 0.0935817 -0.0267182), wk = 0.0033113 k( 8) = ( 0.0630919 0.1091786 -0.0311713), wk = 0.0033113 k( 9) = ( 0.0721050 0.1247756 -0.0356243), wk = 0.0033113 k( 10) = ( 0.0811181 0.1403725 -0.0400773), wk = 0.0033113 k( 11) = ( 0.0901313 0.1559694 -0.0445304), wk = 0.0033113 k( 12) = ( 0.0991444 0.1715664 -0.0489834), wk = 0.0033113 k( 13) = ( 0.1081575 0.1871633 -0.0534365), wk = 0.0033113 k( 14) = ( 0.1171706 0.2027603 -0.0578895), wk = 0.0033113 k( 15) = ( 0.1261838 0.2183572 -0.0623425), wk = 0.0033113 k( 16) = ( 0.1351969 0.2339542 -0.0667956), wk = 0.0033113 k( 17) = ( 0.1442100 0.2495511 -0.0712486), wk = 0.0033113 k( 18) = ( 0.1532231 0.2651481 -0.0757017), wk = 0.0033113 k( 19) = ( 0.1622363 0.2807450 -0.0801547), wk = 0.0033113 k( 20) = ( 0.1712494 0.2963419 -0.0846077), wk = 0.0033113 k( 21) = ( 0.1802625 0.3119389 -0.0890608), wk = 0.0033113 k( 22) = ( 0.1892756 0.3275358 -0.0935138), wk = 0.0033113 k( 23) = ( 0.1982888 0.3431328 -0.0979668), wk = 0.0033113 k( 24) = ( 0.2073019 0.3587297 -0.1024199), wk = 0.0033113 k( 25) = ( 0.2163150 0.3743267 -0.1068729), wk = 0.0033113 k( 26) = ( 0.2253281 0.3899236 -0.1113260), wk = 0.0033113 k( 27) = ( 0.2343413 0.4055206 -0.1157790), wk = 0.0033113 k( 28) = ( 0.2433544 0.4211175 -0.1202320), wk = 0.0033113 k( 29) = ( 0.2523675 0.4367144 -0.1246851), wk = 0.0033113 k( 30) = ( 0.2613806 0.4523114 -0.1291381), wk = 0.0033113 k( 31) = ( 0.2703938 0.4679083 -0.1335912), wk = 0.0033113 k( 32) = ( 0.2794069 0.4835053 -0.1380442), wk = 0.0033113 k( 33) = ( 0.2884200 0.4991022 -0.1424972), wk = 0.0033113 k( 34) = ( 0.2974331 0.5146992 -0.1469503), wk = 0.0033113 k( 35) = ( 0.3064463 0.5302961 -0.1514033), wk = 0.0033113 k( 36) = ( 0.3154594 0.5458931 -0.1558564), wk = 0.0033113 k( 37) = ( 0.3244725 0.5614900 -0.1603094), wk = 0.0033113 k( 38) = ( 0.3334857 0.5770869 -0.1647624), wk = 0.0033113 k( 39) = ( 0.3334857 0.5770869 -0.1647624), wk = 0.0033113 k( 40) = ( 0.3363015 0.5819596 -0.1476957), wk = 0.0033113 k( 41) = ( 0.3391173 0.5868323 -0.1306289), wk = 0.0033113 k( 42) = ( 0.3419331 0.5917050 -0.1135622), wk = 0.0033113 k( 43) = ( 0.3447489 0.5965777 -0.0964954), wk = 0.0033113 k( 44) = ( 0.3475647 0.6014503 -0.0794287), wk = 0.0033113 k( 45) = ( 0.3503805 0.6063230 -0.0623619), wk = 0.0033113 k( 46) = ( 0.3531963 0.6111957 -0.0452952), wk = 0.0033113 k( 47) = ( 0.3560121 0.6160684 -0.0282285), wk = 0.0033113 k( 48) = ( 0.3588280 0.6209410 -0.0111617), wk = 0.0033113 k( 49) = ( 0.3616438 0.6258137 0.0059050), wk = 0.0033113 k( 50) = ( 0.3644596 0.6306864 0.0229718), wk = 0.0033113 k( 51) = ( 0.3672754 0.6355591 0.0400385), wk = 0.0033113 k( 52) = ( 0.3700912 0.6404317 0.0571053), wk = 0.0033113 k( 53) = ( 0.3729070 0.6453044 0.0741720), wk = 0.0033113 k( 54) = ( 0.3757228 0.6501771 0.0912388), wk = 0.0033113 k( 55) = ( 0.3785386 0.6550498 0.1083055), wk = 0.0033113 k( 56) = ( 0.3813545 0.6599225 0.1253723), wk = 0.0033113 k( 57) = ( 0.3841703 0.6647951 0.1424390), wk = 0.0033113 k( 58) = ( 0.3869861 0.6696678 0.1595058), wk = 0.0033113 k( 59) = ( 0.3898019 0.6745405 0.1765725), wk = 0.0033113 k( 60) = ( 0.3898019 0.6745405 0.1765725), wk = 0.0033113 k( 61) = ( 0.3846822 0.6656811 0.1915509), wk = 0.0033113 k( 62) = ( 0.3795626 0.6568217 0.2065293), wk = 0.0033113 k( 63) = ( 0.3744429 0.6479622 0.2215077), wk = 0.0033113 k( 64) = ( 0.3693232 0.6391028 0.2364861), wk = 0.0033113 k( 65) = ( 0.3642036 0.6302434 0.2514645), wk = 0.0033113 k( 66) = ( 0.3590839 0.6213840 0.2664429), wk = 0.0033113 k( 67) = ( 0.3539643 0.6125246 0.2814213), wk = 0.0033113 k( 68) = ( 0.3488446 0.6036652 0.2963997), wk = 0.0033113 k( 69) = ( 0.3437250 0.5948058 0.3113781), wk = 0.0033113 k( 70) = ( 0.3386053 0.5859464 0.3263565), wk = 0.0033113 k( 71) = ( 0.3334857 0.5770869 0.3413350), wk = 0.0033113 k( 72) = ( 0.3283660 0.5682275 0.3563134), wk = 0.0033113 k( 73) = ( 0.3232463 0.5593681 0.3712918), wk = 0.0033113 k( 74) = ( 0.3181267 0.5505087 0.3862702), wk = 0.0033113 k( 75) = ( 0.3130070 0.5416493 0.4012486), wk = 0.0033113 k( 76) = ( 0.3078874 0.5327899 0.4162270), wk = 0.0033113 k( 77) = ( 0.3027677 0.5239304 0.4312054), wk = 0.0033113 k( 78) = ( 0.2976480 0.5150710 0.4461838), wk = 0.0033113 k( 79) = ( 0.2925284 0.5062116 0.4611622), wk = 0.0033113 k( 80) = ( 0.2874087 0.4973522 0.4761406), wk = 0.0033113 k( 81) = ( 0.2822891 0.4884928 0.4911190), wk = 0.0033113 k( 82) = ( 0.2771694 0.4796334 0.5060974), wk = 0.0033113 k( 83) = ( 0.2771694 0.4796334 0.5060974), wk = 0.0033113 k( 84) = ( 0.2679304 0.4636456 0.5060974), wk = 0.0033113 k( 85) = ( 0.2586914 0.4476578 0.5060974), wk = 0.0033113 k( 86) = ( 0.2494525 0.4316700 0.5060974), wk = 0.0033113 k( 87) = ( 0.2402135 0.4156823 0.5060974), wk = 0.0033113 k( 88) = ( 0.2309745 0.3996945 0.5060974), wk = 0.0033113 k( 89) = ( 0.2217355 0.3837067 0.5060974), wk = 0.0033113 k( 90) = ( 0.2124966 0.3677189 0.5060974), wk = 0.0033113 k( 91) = ( 0.2032576 0.3517311 0.5060974), wk = 0.0033113 k( 92) = ( 0.1940186 0.3357434 0.5060974), wk = 0.0033113 k( 93) = ( 0.1847796 0.3197556 0.5060974), wk = 0.0033113 k( 94) = ( 0.1755406 0.3037678 0.5060974), wk = 0.0033113 k( 95) = ( 0.1663016 0.2877800 0.5060974), wk = 0.0033113 k( 96) = ( 0.1570627 0.2717922 0.5060974), wk = 0.0033113 k( 97) = ( 0.1478237 0.2558045 0.5060974), wk = 0.0033113 k( 98) = ( 0.1385847 0.2398167 0.5060974), wk = 0.0033113 k( 99) = ( 0.1293457 0.2238289 0.5060974), wk = 0.0033113 k( 100) = ( 0.1201067 0.2078411 0.5060974), wk = 0.0033113 k( 101) = ( 0.1108678 0.1918533 0.5060974), wk = 0.0033113 k( 102) = ( 0.1016288 0.1758656 0.5060974), wk = 0.0033113 k( 103) = ( 0.0923898 0.1598778 0.5060974), wk = 0.0033113 k( 104) = ( 0.0831508 0.1438900 0.5060974), wk = 0.0033113 k( 105) = ( 0.0739118 0.1279022 0.5060974), wk = 0.0033113 k( 106) = ( 0.0646729 0.1119144 0.5060974), wk = 0.0033113 k( 107) = ( 0.0554339 0.0959267 0.5060974), wk = 0.0033113 k( 108) = ( 0.0461949 0.0799389 0.5060974), wk = 0.0033113 k( 109) = ( 0.0369559 0.0639511 0.5060974), wk = 0.0033113 k( 110) = ( 0.0277169 0.0479633 0.5060974), wk = 0.0033113 k( 111) = ( 0.0184780 0.0319756 0.5060974), wk = 0.0033113 k( 112) = ( 0.0092390 0.0159878 0.5060974), wk = 0.0033113 k( 113) = ( 0.0000000 0.0000000 0.5060974), wk = 0.0033113 k( 114) = ( 0.0000000 0.0000000 0.5060974), wk = 0.0033113 k( 115) = ( 0.0161290 -0.0093206 0.5060974), wk = 0.0033113 k( 116) = ( 0.0322581 -0.0186412 0.5060974), wk = 0.0033113 k( 117) = ( 0.0483871 -0.0279618 0.5060974), wk = 0.0033113 k( 118) = ( 0.0645161 -0.0372824 0.5060974), wk = 0.0033113 k( 119) = ( 0.0806452 -0.0466030 0.5060974), wk = 0.0033113 k( 120) = ( 0.0967742 -0.0559236 0.5060974), wk = 0.0033113 k( 121) = ( 0.1129032 -0.0652443 0.5060974), wk = 0.0033113 k( 122) = ( 0.1290323 -0.0745649 0.5060974), wk = 0.0033113 k( 123) = ( 0.1451613 -0.0838855 0.5060974), wk = 0.0033113 k( 124) = ( 0.1612903 -0.0932061 0.5060974), wk = 0.0033113 k( 125) = ( 0.1774194 -0.1025267 0.5060974), wk = 0.0033113 k( 126) = ( 0.1935484 -0.1118473 0.5060974), wk = 0.0033113 k( 127) = ( 0.2096774 -0.1211679 0.5060974), wk = 0.0033113 k( 128) = ( 0.2258064 -0.1304885 0.5060974), wk = 0.0033113 k( 129) = ( 0.2419355 -0.1398091 0.5060974), wk = 0.0033113 k( 130) = ( 0.2580645 -0.1491297 0.5060974), wk = 0.0033113 k( 131) = ( 0.2741936 -0.1584503 0.5060974), wk = 0.0033113 k( 132) = ( 0.2903226 -0.1677709 0.5060974), wk = 0.0033113 k( 133) = ( 0.3064516 -0.1770915 0.5060974), wk = 0.0033113 k( 134) = ( 0.3225807 -0.1864122 0.5060974), wk = 0.0033113 k( 135) = ( 0.3387097 -0.1957328 0.5060974), wk = 0.0033113 k( 136) = ( 0.3548387 -0.2050534 0.5060974), wk = 0.0033113 k( 137) = ( 0.3709677 -0.2143740 0.5060974), wk = 0.0033113 k( 138) = ( 0.3870968 -0.2236946 0.5060974), wk = 0.0033113 k( 139) = ( 0.4032258 -0.2330152 0.5060974), wk = 0.0033113 k( 140) = ( 0.4193548 -0.2423358 0.5060974), wk = 0.0033113 k( 141) = ( 0.4354839 -0.2516564 0.5060974), wk = 0.0033113 k( 142) = ( 0.4516129 -0.2609770 0.5060974), wk = 0.0033113 k( 143) = ( 0.4677419 -0.2702976 0.5060974), wk = 0.0033113 k( 144) = ( 0.4838710 -0.2796182 0.5060974), wk = 0.0033113 k( 145) = ( 0.5000000 -0.2889388 0.5060974), wk = 0.0033113 k( 146) = ( 0.5000000 -0.2889388 0.5060974), wk = 0.0033113 k( 147) = ( 0.5091832 -0.2730476 0.5060974), wk = 0.0033113 k( 148) = ( 0.5183663 -0.2571564 0.5060974), wk = 0.0033113 k( 149) = ( 0.5275495 -0.2412652 0.5060974), wk = 0.0033113 k( 150) = ( 0.5367327 -0.2253740 0.5060974), wk = 0.0033113 k( 151) = ( 0.5459159 -0.2094828 0.5060974), wk = 0.0033113 k( 152) = ( 0.5550991 -0.1935916 0.5060974), wk = 0.0033113 k( 153) = ( 0.5642822 -0.1777004 0.5060974), wk = 0.0033113 k( 154) = ( 0.5734654 -0.1618091 0.5060974), wk = 0.0033113 k( 155) = ( 0.5826486 -0.1459179 0.5060974), wk = 0.0033113 k( 156) = ( 0.5918318 -0.1300267 0.5060974), wk = 0.0033113 k( 157) = ( 0.6010149 -0.1141355 0.5060974), wk = 0.0033113 k( 158) = ( 0.6101981 -0.0982443 0.5060974), wk = 0.0033113 k( 159) = ( 0.7228306 0.0966628 0.1765725), wk = 0.0033113 k( 160) = ( 0.7200148 0.0917902 0.1595058), wk = 0.0033113 k( 161) = ( 0.7171990 0.0869175 0.1424390), wk = 0.0033113 k( 162) = ( 0.7143831 0.0820448 0.1253723), wk = 0.0033113 k( 163) = ( 0.7115673 0.0771721 0.1083055), wk = 0.0033113 k( 164) = ( 0.7087515 0.0722994 0.0912388), wk = 0.0033113 k( 165) = ( 0.7059357 0.0674268 0.0741720), wk = 0.0033113 k( 166) = ( 0.7031199 0.0625541 0.0571053), wk = 0.0033113 k( 167) = ( 0.7003041 0.0576814 0.0400385), wk = 0.0033113 k( 168) = ( 0.6974883 0.0528087 0.0229718), wk = 0.0033113 k( 169) = ( 0.6946725 0.0479361 0.0059050), wk = 0.0033113 k( 170) = ( 0.6918567 0.0430634 -0.0111617), wk = 0.0033113 k( 171) = ( 0.6890409 0.0381907 -0.0282285), wk = 0.0033113 k( 172) = ( 0.6862250 0.0333180 -0.0452952), wk = 0.0033113 k( 173) = ( 0.6834092 0.0284453 -0.0623619), wk = 0.0033113 k( 174) = ( 0.6805934 0.0235727 -0.0794287), wk = 0.0033113 k( 175) = ( 0.6777776 0.0187000 -0.0964954), wk = 0.0033113 k( 176) = ( 0.6749618 0.0138273 -0.1135622), wk = 0.0033113 k( 177) = ( 0.6721460 0.0089546 -0.1306289), wk = 0.0033113 k( 178) = ( 0.6693302 0.0040819 -0.1476957), wk = 0.0033113 k( 179) = ( 0.6665144 -0.0007907 -0.1647624), wk = 0.0033113 k( 180) = ( 0.6665144 -0.0007907 -0.1647624), wk = 0.0033113 k( 181) = ( 0.6581886 -0.0151981 -0.1565243), wk = 0.0033113 k( 182) = ( 0.6498629 -0.0296055 -0.1482862), wk = 0.0033113 k( 183) = ( 0.6415372 -0.0440129 -0.1400481), wk = 0.0033113 k( 184) = ( 0.6332115 -0.0584204 -0.1318099), wk = 0.0033113 k( 185) = ( 0.6248858 -0.0728278 -0.1235718), wk = 0.0033113 k( 186) = ( 0.6165601 -0.0872352 -0.1153337), wk = 0.0033113 k( 187) = ( 0.6082343 -0.1016426 -0.1070956), wk = 0.0033113 k( 188) = ( 0.5999086 -0.1160500 -0.0988575), wk = 0.0033113 k( 189) = ( 0.5915829 -0.1304574 -0.0906193), wk = 0.0033113 k( 190) = ( 0.5832572 -0.1448648 -0.0823812), wk = 0.0033113 k( 191) = ( 0.5749315 -0.1592722 -0.0741431), wk = 0.0033113 k( 192) = ( 0.5666057 -0.1736796 -0.0659050), wk = 0.0033113 k( 193) = ( 0.5582800 -0.1880870 -0.0576669), wk = 0.0033113 k( 194) = ( 0.5499543 -0.2024944 -0.0494287), wk = 0.0033113 k( 195) = ( 0.5416286 -0.2169018 -0.0411906), wk = 0.0033113 k( 196) = ( 0.5333029 -0.2313092 -0.0329525), wk = 0.0033113 k( 197) = ( 0.5249772 -0.2457166 -0.0247144), wk = 0.0033113 k( 198) = ( 0.5166514 -0.2601240 -0.0164762), wk = 0.0033113 k( 199) = ( 0.5083257 -0.2745314 -0.0082381), wk = 0.0033113 k( 200) = ( 0.5000000 -0.2889388 0.0000000), wk = 0.0033113 k( 201) = ( 0.5000000 -0.2889388 0.0000000), wk = 0.0033113 k( 202) = ( 0.4838710 -0.2796182 -0.0000000), wk = 0.0033113 k( 203) = ( 0.4677419 -0.2702976 0.0000000), wk = 0.0033113 k( 204) = ( 0.4516129 -0.2609770 -0.0000000), wk = 0.0033113 k( 205) = ( 0.4354839 -0.2516564 0.0000000), wk = 0.0033113 k( 206) = ( 0.4193548 -0.2423358 0.0000000), wk = 0.0033113 k( 207) = ( 0.4032258 -0.2330152 -0.0000000), wk = 0.0033113 k( 208) = ( 0.3870968 -0.2236946 0.0000000), wk = 0.0033113 k( 209) = ( 0.3709677 -0.2143740 -0.0000000), wk = 0.0033113 k( 210) = ( 0.3548387 -0.2050534 0.0000000), wk = 0.0033113 k( 211) = ( 0.3387097 -0.1957328 0.0000000), wk = 0.0033113 k( 212) = ( 0.3225807 -0.1864122 -0.0000000), wk = 0.0033113 k( 213) = ( 0.3064516 -0.1770915 0.0000000), wk = 0.0033113 k( 214) = ( 0.2903226 -0.1677709 -0.0000000), wk = 0.0033113 k( 215) = ( 0.2741936 -0.1584503 0.0000000), wk = 0.0033113 k( 216) = ( 0.2580645 -0.1491297 -0.0000000), wk = 0.0033113 k( 217) = ( 0.2419355 -0.1398091 -0.0000000), wk = 0.0033113 k( 218) = ( 0.2258064 -0.1304885 -0.0000000), wk = 0.0033113 k( 219) = ( 0.2096774 -0.1211679 0.0000000), wk = 0.0033113 k( 220) = ( 0.1935484 -0.1118473 0.0000000), wk = 0.0033113 k( 221) = ( 0.1774194 -0.1025267 -0.0000000), wk = 0.0033113 k( 222) = ( 0.1612903 -0.0932061 0.0000000), wk = 0.0033113 k( 223) = ( 0.1451613 -0.0838855 -0.0000000), wk = 0.0033113 k( 224) = ( 0.1290323 -0.0745649 -0.0000000), wk = 0.0033113 k( 225) = ( 0.1129032 -0.0652443 -0.0000000), wk = 0.0033113 k( 226) = ( 0.0967742 -0.0559236 -0.0000000), wk = 0.0033113 k( 227) = ( 0.0806452 -0.0466030 0.0000000), wk = 0.0033113 k( 228) = ( 0.0645161 -0.0372824 -0.0000000), wk = 0.0033113 k( 229) = ( 0.0483871 -0.0279618 -0.0000000), wk = 0.0033113 k( 230) = ( 0.0322581 -0.0186412 0.0000000), wk = 0.0033113 k( 231) = ( 0.0161290 -0.0093206 0.0000000), wk = 0.0033113 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 233) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 234) = ( 0.0156250 0.0090046 -0.0051488), wk = 0.0033113 k( 235) = ( 0.0312500 0.0180093 -0.0102977), wk = 0.0033113 k( 236) = ( 0.0468750 0.0270139 -0.0154465), wk = 0.0033113 k( 237) = ( 0.0625000 0.0360185 -0.0205953), wk = 0.0033113 k( 238) = ( 0.0781250 0.0450231 -0.0257441), wk = 0.0033113 k( 239) = ( 0.0937500 0.0540278 -0.0308930), wk = 0.0033113 k( 240) = ( 0.1093750 0.0630324 -0.0360418), wk = 0.0033113 k( 241) = ( 0.1250000 0.0720370 -0.0411906), wk = 0.0033113 k( 242) = ( 0.1406250 0.0810417 -0.0463394), wk = 0.0033113 k( 243) = ( 0.1562500 0.0900463 -0.0514883), wk = 0.0033113 k( 244) = ( 0.1718750 0.0990509 -0.0566371), wk = 0.0033113 k( 245) = ( 0.1875000 0.1080555 -0.0617859), wk = 0.0033113 k( 246) = ( 0.2031250 0.1170602 -0.0669347), wk = 0.0033113 k( 247) = ( 0.2187500 0.1260648 -0.0720836), wk = 0.0033113 k( 248) = ( 0.2343750 0.1350694 -0.0772324), wk = 0.0033113 k( 249) = ( 0.2500000 0.1440741 -0.0823812), wk = 0.0033113 k( 250) = ( 0.2656250 0.1530787 -0.0875300), wk = 0.0033113 k( 251) = ( 0.2812500 0.1620833 -0.0926789), wk = 0.0033113 k( 252) = ( 0.2968750 0.1710879 -0.0978277), wk = 0.0033113 k( 253) = ( 0.3125000 0.1800926 -0.1029765), wk = 0.0033113 k( 254) = ( 0.3281250 0.1890972 -0.1081253), wk = 0.0033113 k( 255) = ( 0.3437500 0.1981018 -0.1132742), wk = 0.0033113 k( 256) = ( 0.3593750 0.2071064 -0.1184230), wk = 0.0033113 k( 257) = ( 0.3750000 0.2161111 -0.1235718), wk = 0.0033113 k( 258) = ( 0.3906250 0.2251157 -0.1287207), wk = 0.0033113 k( 259) = ( 0.4062500 0.2341203 -0.1338695), wk = 0.0033113 k( 260) = ( 0.4218750 0.2431250 -0.1390183), wk = 0.0033113 k( 261) = ( 0.4375000 0.2521296 -0.1441671), wk = 0.0033113 k( 262) = ( 0.4531250 0.2611342 -0.1493160), wk = 0.0033113 k( 263) = ( 0.4687500 0.2701388 -0.1544648), wk = 0.0033113 k( 264) = ( 0.4843750 0.2791435 -0.1596136), wk = 0.0033113 k( 265) = ( 0.5000000 0.2881481 -0.1647624), wk = 0.0033113 k( 266) = ( 0.5000000 0.2881481 0.3413350), wk = 0.0033113 k( 267) = ( 0.4861111 0.2801440 0.3318534), wk = 0.0033113 k( 268) = ( 0.4722222 0.2721399 0.3223719), wk = 0.0033113 k( 269) = ( 0.4583333 0.2641358 0.3128904), wk = 0.0033113 k( 270) = ( 0.4444444 0.2561316 0.3034088), wk = 0.0033113 k( 271) = ( 0.4305556 0.2481275 0.2939273), wk = 0.0033113 k( 272) = ( 0.4166667 0.2401234 0.2844458), wk = 0.0033113 k( 273) = ( 0.4027778 0.2321193 0.2749643), wk = 0.0033113 k( 274) = ( 0.3888889 0.2241152 0.2654827), wk = 0.0033113 k( 275) = ( 0.3750000 0.2161111 0.2560012), wk = 0.0033113 k( 276) = ( 0.3611111 0.2081070 0.2465197), wk = 0.0033113 k( 277) = ( 0.3472222 0.2001028 0.2370382), wk = 0.0033113 k( 278) = ( 0.3333333 0.1920987 0.2275566), wk = 0.0033113 k( 279) = ( 0.3194444 0.1840946 0.2180751), wk = 0.0033113 k( 280) = ( 0.3055556 0.1760905 0.2085936), wk = 0.0033113 k( 281) = ( 0.2916667 0.1680864 0.1991121), wk = 0.0033113 k( 282) = ( 0.2777778 0.1600823 0.1896305), wk = 0.0033113 k( 283) = ( 0.2638889 0.1520782 0.1801490), wk = 0.0033113 k( 284) = ( 0.2500000 0.1440741 0.1706675), wk = 0.0033113 k( 285) = ( 0.2361111 0.1360699 0.1611859), wk = 0.0033113 k( 286) = ( 0.2222222 0.1280658 0.1517044), wk = 0.0033113 k( 287) = ( 0.2083333 0.1200617 0.1422229), wk = 0.0033113 k( 288) = ( 0.1944444 0.1120576 0.1327414), wk = 0.0033113 k( 289) = ( 0.1805556 0.1040535 0.1232598), wk = 0.0033113 k( 290) = ( 0.1666667 0.0960494 0.1137783), wk = 0.0033113 k( 291) = ( 0.1527778 0.0880453 0.1042968), wk = 0.0033113 k( 292) = ( 0.1388889 0.0800411 0.0948153), wk = 0.0033113 k( 293) = ( 0.1250000 0.0720370 0.0853337), wk = 0.0033113 k( 294) = ( 0.1111111 0.0640329 0.0758522), wk = 0.0033113 k( 295) = ( 0.0972222 0.0560288 0.0663707), wk = 0.0033113 k( 296) = ( 0.0833333 0.0480247 0.0568892), wk = 0.0033113 k( 297) = ( 0.0694444 0.0400206 0.0474076), wk = 0.0033113 k( 298) = ( 0.0555556 0.0320165 0.0379261), wk = 0.0033113 k( 299) = ( 0.0416667 0.0240123 0.0284446), wk = 0.0033113 k( 300) = ( 0.0277778 0.0160082 0.0189631), wk = 0.0033113 k( 301) = ( 0.0138889 0.0080041 0.0094815), wk = 0.0033113 k( 302) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0090131 0.0090131 0.0014691), wk = 0.0033113 k( 3) = ( 0.0180263 0.0180263 0.0029383), wk = 0.0033113 k( 4) = ( 0.0270394 0.0270394 0.0044074), wk = 0.0033113 k( 5) = ( 0.0360525 0.0360525 0.0058766), wk = 0.0033113 k( 6) = ( 0.0450656 0.0450656 0.0073457), wk = 0.0033113 k( 7) = ( 0.0540788 0.0540788 0.0088149), wk = 0.0033113 k( 8) = ( 0.0630919 0.0630919 0.0102840), wk = 0.0033113 k( 9) = ( 0.0721050 0.0721050 0.0117532), wk = 0.0033113 k( 10) = ( 0.0811181 0.0811181 0.0132223), wk = 0.0033113 k( 11) = ( 0.0901313 0.0901313 0.0146914), wk = 0.0033113 k( 12) = ( 0.0991444 0.0991444 0.0161606), wk = 0.0033113 k( 13) = ( 0.1081575 0.1081575 0.0176297), wk = 0.0033113 k( 14) = ( 0.1171706 0.1171706 0.0190989), wk = 0.0033113 k( 15) = ( 0.1261838 0.1261838 0.0205680), wk = 0.0033113 k( 16) = ( 0.1351969 0.1351969 0.0220372), wk = 0.0033113 k( 17) = ( 0.1442100 0.1442100 0.0235063), wk = 0.0033113 k( 18) = ( 0.1532231 0.1532231 0.0249754), wk = 0.0033113 k( 19) = ( 0.1622363 0.1622363 0.0264446), wk = 0.0033113 k( 20) = ( 0.1712494 0.1712494 0.0279137), wk = 0.0033113 k( 21) = ( 0.1802625 0.1802625 0.0293829), wk = 0.0033113 k( 22) = ( 0.1892756 0.1892756 0.0308520), wk = 0.0033113 k( 23) = ( 0.1982888 0.1982888 0.0323212), wk = 0.0033113 k( 24) = ( 0.2073019 0.2073019 0.0337903), wk = 0.0033113 k( 25) = ( 0.2163150 0.2163150 0.0352594), wk = 0.0033113 k( 26) = ( 0.2253281 0.2253281 0.0367286), wk = 0.0033113 k( 27) = ( 0.2343413 0.2343413 0.0381977), wk = 0.0033113 k( 28) = ( 0.2433544 0.2433544 0.0396669), wk = 0.0033113 k( 29) = ( 0.2523675 0.2523675 0.0411360), wk = 0.0033113 k( 30) = ( 0.2613806 0.2613806 0.0426052), wk = 0.0033113 k( 31) = ( 0.2703938 0.2703938 0.0440743), wk = 0.0033113 k( 32) = ( 0.2794069 0.2794069 0.0455435), wk = 0.0033113 k( 33) = ( 0.2884200 0.2884200 0.0470126), wk = 0.0033113 k( 34) = ( 0.2974331 0.2974331 0.0484817), wk = 0.0033113 k( 35) = ( 0.3064463 0.3064463 0.0499509), wk = 0.0033113 k( 36) = ( 0.3154594 0.3154594 0.0514200), wk = 0.0033113 k( 37) = ( 0.3244725 0.3244725 0.0528892), wk = 0.0033113 k( 38) = ( 0.3334857 0.3334857 0.0543583), wk = 0.0033113 k( 39) = ( 0.3334857 0.3334857 0.0543583), wk = 0.0033113 k( 40) = ( 0.3363015 0.3363015 0.0730528), wk = 0.0033113 k( 41) = ( 0.3391173 0.3391173 0.0917474), wk = 0.0033113 k( 42) = ( 0.3419331 0.3419331 0.1104419), wk = 0.0033113 k( 43) = ( 0.3447489 0.3447489 0.1291364), wk = 0.0033113 k( 44) = ( 0.3475647 0.3475647 0.1478310), wk = 0.0033113 k( 45) = ( 0.3503805 0.3503805 0.1665255), wk = 0.0033113 k( 46) = ( 0.3531963 0.3531963 0.1852200), wk = 0.0033113 k( 47) = ( 0.3560121 0.3560121 0.2039146), wk = 0.0033113 k( 48) = ( 0.3588280 0.3588280 0.2226091), wk = 0.0033113 k( 49) = ( 0.3616438 0.3616438 0.2413036), wk = 0.0033113 k( 50) = ( 0.3644596 0.3644596 0.2599982), wk = 0.0033113 k( 51) = ( 0.3672754 0.3672754 0.2786927), wk = 0.0033113 k( 52) = ( 0.3700912 0.3700912 0.2973872), wk = 0.0033113 k( 53) = ( 0.3729070 0.3729070 0.3160818), wk = 0.0033113 k( 54) = ( 0.3757228 0.3757228 0.3347763), wk = 0.0033113 k( 55) = ( 0.3785386 0.3785386 0.3534708), wk = 0.0033113 k( 56) = ( 0.3813545 0.3813545 0.3721654), wk = 0.0033113 k( 57) = ( 0.3841703 0.3841703 0.3908599), wk = 0.0033113 k( 58) = ( 0.3869861 0.3869861 0.4095544), wk = 0.0033113 k( 59) = ( 0.3898019 0.3898019 0.4282490), wk = 0.0033113 k( 60) = ( 0.3898019 0.3898019 0.4282490), wk = 0.0033113 k( 61) = ( 0.3846822 0.3846822 0.4397134), wk = 0.0033113 k( 62) = ( 0.3795626 0.3795626 0.4511779), wk = 0.0033113 k( 63) = ( 0.3744429 0.3744429 0.4626424), wk = 0.0033113 k( 64) = ( 0.3693232 0.3693232 0.4741069), wk = 0.0033113 k( 65) = ( 0.3642036 0.3642036 0.4855714), wk = 0.0033113 k( 66) = ( 0.3590839 0.3590839 0.4970359), wk = 0.0033113 k( 67) = ( 0.3539643 0.3539643 0.5085004), wk = 0.0033113 k( 68) = ( 0.3488446 0.3488446 0.5199649), wk = 0.0033113 k( 69) = ( 0.3437250 0.3437250 0.5314293), wk = 0.0033113 k( 70) = ( 0.3386053 0.3386053 0.5428938), wk = 0.0033113 k( 71) = ( 0.3334857 0.3334857 0.5543583), wk = 0.0033113 k( 72) = ( 0.3283660 0.3283660 0.5658228), wk = 0.0033113 k( 73) = ( 0.3232463 0.3232463 0.5772873), wk = 0.0033113 k( 74) = ( 0.3181267 0.3181267 0.5887518), wk = 0.0033113 k( 75) = ( 0.3130070 0.3130070 0.6002163), wk = 0.0033113 k( 76) = ( 0.3078874 0.3078874 0.6116807), wk = 0.0033113 k( 77) = ( 0.3027677 0.3027677 0.6231452), wk = 0.0033113 k( 78) = ( 0.2976480 0.2976480 0.6346097), wk = 0.0033113 k( 79) = ( 0.2925284 0.2925284 0.6460742), wk = 0.0033113 k( 80) = ( 0.2874087 0.2874087 0.6575387), wk = 0.0033113 k( 81) = ( 0.2822891 0.2822891 0.6690032), wk = 0.0033113 k( 82) = ( 0.2771694 0.2771694 0.6804677), wk = 0.0033113 k( 83) = ( 0.2771694 0.2771694 0.6804677), wk = 0.0033113 k( 84) = ( 0.2679304 0.2679304 0.6744521), wk = 0.0033113 k( 85) = ( 0.2586914 0.2586915 0.6684365), wk = 0.0033113 k( 86) = ( 0.2494525 0.2494525 0.6624209), wk = 0.0033113 k( 87) = ( 0.2402135 0.2402135 0.6564053), wk = 0.0033113 k( 88) = ( 0.2309745 0.2309745 0.6503897), wk = 0.0033113 k( 89) = ( 0.2217355 0.2217355 0.6443741), wk = 0.0033113 k( 90) = ( 0.2124966 0.2124966 0.6383585), wk = 0.0033113 k( 91) = ( 0.2032576 0.2032576 0.6323429), wk = 0.0033113 k( 92) = ( 0.1940186 0.1940186 0.6263274), wk = 0.0033113 k( 93) = ( 0.1847796 0.1847796 0.6203118), wk = 0.0033113 k( 94) = ( 0.1755406 0.1755406 0.6142962), wk = 0.0033113 k( 95) = ( 0.1663016 0.1663017 0.6082806), wk = 0.0033113 k( 96) = ( 0.1570627 0.1570627 0.6022650), wk = 0.0033113 k( 97) = ( 0.1478237 0.1478237 0.5962494), wk = 0.0033113 k( 98) = ( 0.1385847 0.1385847 0.5902338), wk = 0.0033113 k( 99) = ( 0.1293457 0.1293457 0.5842182), wk = 0.0033113 k( 100) = ( 0.1201067 0.1201068 0.5782027), wk = 0.0033113 k( 101) = ( 0.1108678 0.1108678 0.5721871), wk = 0.0033113 k( 102) = ( 0.1016288 0.1016288 0.5661715), wk = 0.0033113 k( 103) = ( 0.0923898 0.0923898 0.5601559), wk = 0.0033113 k( 104) = ( 0.0831508 0.0831508 0.5541403), wk = 0.0033113 k( 105) = ( 0.0739118 0.0739118 0.5481247), wk = 0.0033113 k( 106) = ( 0.0646729 0.0646729 0.5421091), wk = 0.0033113 k( 107) = ( 0.0554339 0.0554339 0.5360935), wk = 0.0033113 k( 108) = ( 0.0461949 0.0461949 0.5300779), wk = 0.0033113 k( 109) = ( 0.0369559 0.0369559 0.5240624), wk = 0.0033113 k( 110) = ( 0.0277169 0.0277169 0.5180468), wk = 0.0033113 k( 111) = ( 0.0184780 0.0184780 0.5120312), wk = 0.0033113 k( 112) = ( 0.0092390 0.0092390 0.5060156), wk = 0.0033113 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 115) = ( 0.0161290 -0.0161290 0.5000000), wk = 0.0033113 k( 116) = ( 0.0322581 -0.0322581 0.5000000), wk = 0.0033113 k( 117) = ( 0.0483871 -0.0483871 0.5000000), wk = 0.0033113 k( 118) = ( 0.0645161 -0.0645161 0.5000000), wk = 0.0033113 k( 119) = ( 0.0806452 -0.0806452 0.5000000), wk = 0.0033113 k( 120) = ( 0.0967742 -0.0967742 0.5000000), wk = 0.0033113 k( 121) = ( 0.1129032 -0.1129032 0.5000000), wk = 0.0033113 k( 122) = ( 0.1290323 -0.1290323 0.5000000), wk = 0.0033113 k( 123) = ( 0.1451613 -0.1451613 0.5000000), wk = 0.0033113 k( 124) = ( 0.1612903 -0.1612903 0.5000000), wk = 0.0033113 k( 125) = ( 0.1774194 -0.1774194 0.5000000), wk = 0.0033113 k( 126) = ( 0.1935484 -0.1935484 0.5000000), wk = 0.0033113 k( 127) = ( 0.2096774 -0.2096774 0.5000000), wk = 0.0033113 k( 128) = ( 0.2258064 -0.2258065 0.5000000), wk = 0.0033113 k( 129) = ( 0.2419355 -0.2419355 0.5000000), wk = 0.0033113 k( 130) = ( 0.2580645 -0.2580645 0.5000000), wk = 0.0033113 k( 131) = ( 0.2741936 -0.2741936 0.5000000), wk = 0.0033113 k( 132) = ( 0.2903226 -0.2903226 0.5000000), wk = 0.0033113 k( 133) = ( 0.3064516 -0.3064516 0.5000000), wk = 0.0033113 k( 134) = ( 0.3225807 -0.3225807 0.5000000), wk = 0.0033113 k( 135) = ( 0.3387097 -0.3387097 0.5000000), wk = 0.0033113 k( 136) = ( 0.3548387 -0.3548387 0.5000000), wk = 0.0033113 k( 137) = ( 0.3709677 -0.3709677 0.5000000), wk = 0.0033113 k( 138) = ( 0.3870968 -0.3870968 0.5000000), wk = 0.0033113 k( 139) = ( 0.4032258 -0.4032258 0.5000000), wk = 0.0033113 k( 140) = ( 0.4193548 -0.4193548 0.5000000), wk = 0.0033113 k( 141) = ( 0.4354839 -0.4354839 0.5000000), wk = 0.0033113 k( 142) = ( 0.4516129 -0.4516129 0.5000000), wk = 0.0033113 k( 143) = ( 0.4677419 -0.4677419 0.5000000), wk = 0.0033113 k( 144) = ( 0.4838710 -0.4838710 0.5000000), wk = 0.0033113 k( 145) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0033113 k( 146) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0033113 k( 147) = ( 0.5091832 -0.4908168 0.5059792), wk = 0.0033113 k( 148) = ( 0.5183663 -0.4816337 0.5119585), wk = 0.0033113 k( 149) = ( 0.5275495 -0.4724505 0.5179378), wk = 0.0033113 k( 150) = ( 0.5367327 -0.4632673 0.5239170), wk = 0.0033113 k( 151) = ( 0.5459159 -0.4540841 0.5298963), wk = 0.0033113 k( 152) = ( 0.5550991 -0.4449009 0.5358755), wk = 0.0033113 k( 153) = ( 0.5642822 -0.4357178 0.5418548), wk = 0.0033113 k( 154) = ( 0.5734654 -0.4265346 0.5478340), wk = 0.0033113 k( 155) = ( 0.5826486 -0.4173514 0.5538133), wk = 0.0033113 k( 156) = ( 0.5918318 -0.4081682 0.5597925), wk = 0.0033113 k( 157) = ( 0.6010149 -0.3989851 0.5657718), wk = 0.0033113 k( 158) = ( 0.6101981 -0.3898019 0.5717511), wk = 0.0033113 k( 159) = ( 0.7228306 -0.2771694 0.3195323), wk = 0.0033113 k( 160) = ( 0.7200148 -0.2799852 0.3008378), wk = 0.0033113 k( 161) = ( 0.7171990 -0.2828010 0.2821433), wk = 0.0033113 k( 162) = ( 0.7143831 -0.2856168 0.2634487), wk = 0.0033113 k( 163) = ( 0.7115673 -0.2884327 0.2447542), wk = 0.0033113 k( 164) = ( 0.7087515 -0.2912485 0.2260597), wk = 0.0033113 k( 165) = ( 0.7059357 -0.2940643 0.2073651), wk = 0.0033113 k( 166) = ( 0.7031199 -0.2968801 0.1886706), wk = 0.0033113 k( 167) = ( 0.7003041 -0.2996959 0.1699761), wk = 0.0033113 k( 168) = ( 0.6974883 -0.3025117 0.1512815), wk = 0.0033113 k( 169) = ( 0.6946725 -0.3053275 0.1325870), wk = 0.0033113 k( 170) = ( 0.6918567 -0.3081433 0.1138925), wk = 0.0033113 k( 171) = ( 0.6890409 -0.3109592 0.0951980), wk = 0.0033113 k( 172) = ( 0.6862250 -0.3137750 0.0765034), wk = 0.0033113 k( 173) = ( 0.6834092 -0.3165908 0.0578089), wk = 0.0033113 k( 174) = ( 0.6805934 -0.3194066 0.0391143), wk = 0.0033113 k( 175) = ( 0.6777776 -0.3222224 0.0204198), wk = 0.0033113 k( 176) = ( 0.6749618 -0.3250382 0.0017253), wk = 0.0033113 k( 177) = ( 0.6721460 -0.3278540 -0.0169692), wk = 0.0033113 k( 178) = ( 0.6693302 -0.3306698 -0.0356638), wk = 0.0033113 k( 179) = ( 0.6665144 -0.3334857 -0.0543583), wk = 0.0033113 k( 180) = ( 0.6665144 -0.3334857 -0.0543583), wk = 0.0033113 k( 181) = ( 0.6581886 -0.3418114 -0.0516404), wk = 0.0033113 k( 182) = ( 0.6498629 -0.3501371 -0.0489225), wk = 0.0033113 k( 183) = ( 0.6415372 -0.3584628 -0.0462046), wk = 0.0033113 k( 184) = ( 0.6332115 -0.3667885 -0.0434867), wk = 0.0033113 k( 185) = ( 0.6248858 -0.3751142 -0.0407687), wk = 0.0033113 k( 186) = ( 0.6165601 -0.3834399 -0.0380508), wk = 0.0033113 k( 187) = ( 0.6082343 -0.3917657 -0.0353329), wk = 0.0033113 k( 188) = ( 0.5999086 -0.4000914 -0.0326150), wk = 0.0033113 k( 189) = ( 0.5915829 -0.4084171 -0.0298971), wk = 0.0033113 k( 190) = ( 0.5832572 -0.4167428 -0.0271792), wk = 0.0033113 k( 191) = ( 0.5749315 -0.4250685 -0.0244612), wk = 0.0033113 k( 192) = ( 0.5666057 -0.4333943 -0.0217433), wk = 0.0033113 k( 193) = ( 0.5582800 -0.4417200 -0.0190254), wk = 0.0033113 k( 194) = ( 0.5499543 -0.4500457 -0.0163075), wk = 0.0033113 k( 195) = ( 0.5416286 -0.4583714 -0.0135896), wk = 0.0033113 k( 196) = ( 0.5333029 -0.4666971 -0.0108717), wk = 0.0033113 k( 197) = ( 0.5249772 -0.4750228 -0.0081537), wk = 0.0033113 k( 198) = ( 0.5166514 -0.4833486 -0.0054358), wk = 0.0033113 k( 199) = ( 0.5083257 -0.4916743 -0.0027179), wk = 0.0033113 k( 200) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0033113 k( 201) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0033113 k( 202) = ( 0.4838710 -0.4838710 0.0000000), wk = 0.0033113 k( 203) = ( 0.4677419 -0.4677419 0.0000000), wk = 0.0033113 k( 204) = ( 0.4516129 -0.4516129 -0.0000000), wk = 0.0033113 k( 205) = ( 0.4354839 -0.4354839 0.0000000), wk = 0.0033113 k( 206) = ( 0.4193548 -0.4193548 -0.0000000), wk = 0.0033113 k( 207) = ( 0.4032258 -0.4032258 -0.0000000), wk = 0.0033113 k( 208) = ( 0.3870968 -0.3870968 -0.0000000), wk = 0.0033113 k( 209) = ( 0.3709677 -0.3709677 -0.0000000), wk = 0.0033113 k( 210) = ( 0.3548387 -0.3548387 -0.0000000), wk = 0.0033113 k( 211) = ( 0.3387097 -0.3387097 -0.0000000), wk = 0.0033113 k( 212) = ( 0.3225807 -0.3225807 0.0000000), wk = 0.0033113 k( 213) = ( 0.3064516 -0.3064516 0.0000000), wk = 0.0033113 k( 214) = ( 0.2903226 -0.2903226 -0.0000000), wk = 0.0033113 k( 215) = ( 0.2741936 -0.2741936 0.0000000), wk = 0.0033113 k( 216) = ( 0.2580645 -0.2580645 -0.0000000), wk = 0.0033113 k( 217) = ( 0.2419355 -0.2419355 -0.0000000), wk = 0.0033113 k( 218) = ( 0.2258064 -0.2258065 -0.0000000), wk = 0.0033113 k( 219) = ( 0.2096774 -0.2096774 -0.0000000), wk = 0.0033113 k( 220) = ( 0.1935484 -0.1935484 -0.0000000), wk = 0.0033113 k( 221) = ( 0.1774194 -0.1774194 -0.0000000), wk = 0.0033113 k( 222) = ( 0.1612903 -0.1612903 -0.0000000), wk = 0.0033113 k( 223) = ( 0.1451613 -0.1451613 -0.0000000), wk = 0.0033113 k( 224) = ( 0.1290323 -0.1290323 -0.0000000), wk = 0.0033113 k( 225) = ( 0.1129032 -0.1129032 -0.0000000), wk = 0.0033113 k( 226) = ( 0.0967742 -0.0967742 -0.0000000), wk = 0.0033113 k( 227) = ( 0.0806452 -0.0806452 -0.0000000), wk = 0.0033113 k( 228) = ( 0.0645161 -0.0645161 -0.0000000), wk = 0.0033113 k( 229) = ( 0.0483871 -0.0483871 -0.0000000), wk = 0.0033113 k( 230) = ( 0.0322581 -0.0322581 -0.0000000), wk = 0.0033113 k( 231) = ( 0.0161290 -0.0161290 -0.0000000), wk = 0.0033113 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 233) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 234) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0033113 k( 235) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0033113 k( 236) = ( 0.0468750 0.0000000 -0.0000000), wk = 0.0033113 k( 237) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0033113 k( 238) = ( 0.0781250 0.0000000 -0.0000000), wk = 0.0033113 k( 239) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0033113 k( 240) = ( 0.1093750 0.0000000 -0.0000000), wk = 0.0033113 k( 241) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0033113 k( 242) = ( 0.1406250 0.0000000 -0.0000000), wk = 0.0033113 k( 243) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0033113 k( 244) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0033113 k( 245) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0033113 k( 246) = ( 0.2031250 0.0000000 -0.0000000), wk = 0.0033113 k( 247) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0033113 k( 248) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0033113 k( 249) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033113 k( 250) = ( 0.2656250 0.0000000 -0.0000000), wk = 0.0033113 k( 251) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0033113 k( 252) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0033113 k( 253) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0033113 k( 254) = ( 0.3281250 0.0000000 -0.0000000), wk = 0.0033113 k( 255) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0033113 k( 256) = ( 0.3593750 0.0000000 -0.0000000), wk = 0.0033113 k( 257) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0033113 k( 258) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0033113 k( 259) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0033113 k( 260) = ( 0.4218750 0.0000000 -0.0000000), wk = 0.0033113 k( 261) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0033113 k( 262) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0033113 k( 263) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0033113 k( 264) = ( 0.4843750 0.0000000 -0.0000000), wk = 0.0033113 k( 265) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 267) = ( 0.4861111 0.0000000 0.4861111), wk = 0.0033113 k( 268) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0033113 k( 269) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0033113 k( 270) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0033113 k( 271) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0033113 k( 272) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0033113 k( 273) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0033113 k( 274) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0033113 k( 275) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0033113 k( 276) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0033113 k( 277) = ( 0.3472222 0.0000000 0.3472222), wk = 0.0033113 k( 278) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0033113 k( 279) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0033113 k( 280) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0033113 k( 281) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0033113 k( 282) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0033113 k( 283) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0033113 k( 284) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0033113 k( 285) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0033113 k( 286) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0033113 k( 287) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0033113 k( 288) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0033113 k( 289) = ( 0.1805556 0.0000000 0.1805556), wk = 0.0033113 k( 290) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0033113 k( 291) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0033113 k( 292) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0033113 k( 293) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0033113 k( 294) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0033113 k( 295) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0033113 k( 296) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0033113 k( 297) = ( 0.0694444 0.0000000 0.0694444), wk = 0.0033113 k( 298) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0033113 k( 299) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0033113 k( 300) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0033113 k( 301) = ( 0.0138889 0.0000000 0.0138889), wk = 0.0033113 k( 302) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 Dense grid: 67503 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 50209 G-vectors FFT dimensions: ( 50, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 368, 58) NL pseudopotentials 0.76 Mb ( 184, 272) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1875) G-vector shells 0.01 Mb ( 1849) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 368, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.48 Mb ( 272, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlCl3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.0 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.6 secs Computing kpt #: 16 total cpu time spent up to now is 15.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.2 secs Computing kpt #: 18 total cpu time spent up to now is 17.0 secs Computing kpt #: 19 total cpu time spent up to now is 17.8 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.5 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.4 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.3 secs Computing kpt #: 26 total cpu time spent up to now is 24.3 secs Computing kpt #: 27 total cpu time spent up to now is 25.3 secs Computing kpt #: 28 total cpu time spent up to now is 26.3 secs Computing kpt #: 29 total cpu time spent up to now is 27.3 secs Computing kpt #: 30 total cpu time spent up to now is 28.3 secs Computing kpt #: 31 total cpu time spent up to now is 29.3 secs Computing kpt #: 32 total cpu time spent up to now is 30.3 secs Computing kpt #: 33 total cpu time spent up to now is 31.2 secs Computing kpt #: 34 total cpu time spent up to now is 32.1 secs Computing kpt #: 35 total cpu time spent up to now is 33.1 secs Computing kpt #: 36 total cpu time spent up to now is 34.0 secs Computing kpt #: 37 total cpu time spent up to now is 35.2 secs Computing kpt #: 38 total cpu time spent up to now is 36.4 secs Computing kpt #: 39 total cpu time spent up to now is 37.4 secs Computing kpt #: 40 total cpu time spent up to now is 38.6 secs Computing kpt #: 41 total cpu time spent up to now is 39.6 secs Computing kpt #: 42 total cpu time spent up to now is 40.5 secs Computing kpt #: 43 total cpu time spent up to now is 41.5 secs Computing kpt #: 44 total cpu time spent up to now is 42.4 secs Computing kpt #: 45 total cpu time spent up to now is 43.2 secs Computing kpt #: 46 total cpu time spent up to now is 44.2 secs Computing kpt #: 47 total cpu time spent up to now is 45.0 secs Computing kpt #: 48 total cpu time spent up to now is 45.9 secs Computing kpt #: 49 total cpu time spent up to now is 46.8 secs Computing kpt #: 50 total cpu time spent up to now is 47.7 secs Computing kpt #: 51 total cpu time spent up to now is 48.6 secs Computing kpt #: 52 total cpu time spent up to now is 49.5 secs Computing kpt #: 53 total cpu time spent up to now is 50.4 secs Computing kpt #: 54 total cpu time spent up to now is 51.4 secs Computing kpt #: 55 total cpu time spent up to now is 52.3 secs Computing kpt #: 56 total cpu time spent up to now is 53.2 secs Computing kpt #: 57 total cpu time spent up to now is 54.0 secs Computing kpt #: 58 total cpu time spent up to now is 54.9 secs Computing kpt #: 59 total cpu time spent up to now is 55.7 secs Computing kpt #: 60 total cpu time spent up to now is 56.6 secs Computing kpt #: 61 total cpu time spent up to now is 57.4 secs Computing kpt #: 62 total cpu time spent up to now is 58.3 secs Computing kpt #: 63 total cpu time spent up to now is 59.2 secs Computing kpt #: 64 total cpu time spent up to now is 60.2 secs Computing kpt #: 65 total cpu time spent up to now is 61.3 secs Computing kpt #: 66 total cpu time spent up to now is 62.2 secs Computing kpt #: 67 total cpu time spent up to now is 63.1 secs Computing kpt #: 68 total cpu time spent up to now is 64.1 secs Computing kpt #: 69 total cpu time spent up to now is 65.0 secs Computing kpt #: 70 total cpu time spent up to now is 65.9 secs Computing kpt #: 71 total cpu time spent up to now is 66.8 secs Computing kpt #: 72 total cpu time spent up to now is 67.8 secs Computing kpt #: 73 total cpu time spent up to now is 68.6 secs Computing kpt #: 74 total cpu time spent up to now is 69.5 secs Computing kpt #: 75 total cpu time spent up to now is 70.4 secs Computing kpt #: 76 total cpu time spent up to now is 71.3 secs Computing kpt #: 77 total cpu time spent up to now is 72.2 secs Computing kpt #: 78 total cpu time spent up to now is 73.1 secs Computing kpt #: 79 total cpu time spent up to now is 74.0 secs Computing kpt #: 80 total cpu time spent up to now is 74.9 secs Computing kpt #: 81 total cpu time spent up to now is 75.8 secs Computing kpt #: 82 total cpu time spent up to now is 76.5 secs Computing kpt #: 83 total cpu time spent up to now is 77.4 secs Computing kpt #: 84 total cpu time spent up to now is 78.3 secs Computing kpt #: 85 total cpu time spent up to now is 79.1 secs Computing kpt #: 86 total cpu time spent up to now is 79.9 secs Computing kpt #: 87 total cpu time spent up to now is 80.6 secs Computing kpt #: 88 total cpu time spent up to now is 81.4 secs Computing kpt #: 89 total cpu time spent up to now is 82.2 secs Computing kpt #: 90 total cpu time spent up to now is 83.1 secs Computing kpt #: 91 total cpu time spent up to now is 84.0 secs Computing kpt #: 92 total cpu time spent up to now is 84.9 secs Computing kpt #: 93 total cpu time spent up to now is 85.9 secs Computing kpt #: 94 total cpu time spent up to now is 86.8 secs Computing kpt #: 95 total cpu time spent up to now is 87.7 secs Computing kpt #: 96 total cpu time spent up to now is 88.6 secs Computing kpt #: 97 total cpu time spent up to now is 89.5 secs Computing kpt #: 98 total cpu time spent up to now is 90.4 secs Computing kpt #: 99 total cpu time spent up to now is 91.3 secs Computing kpt #: 100 total cpu time spent up to now is 92.2 secs Computing kpt #: 101 total cpu time spent up to now is 93.1 secs Computing kpt #: 102 total cpu time spent up to now is 94.0 secs Computing kpt #: 103 total cpu time spent up to now is 94.9 secs Computing kpt #: 104 total cpu time spent up to now is 95.9 secs Computing kpt #: 105 total cpu time spent up to now is 96.8 secs Computing kpt #: 106 total cpu time spent up to now is 97.7 secs Computing kpt #: 107 total cpu time spent up to now is 98.6 secs Computing kpt #: 108 total cpu time spent up to now is 99.5 secs Computing kpt #: 109 total cpu time spent up to now is 100.4 secs Computing kpt #: 110 total cpu time spent up to now is 101.3 secs Computing kpt #: 111 total cpu time spent up to now is 102.3 secs Computing kpt #: 112 total cpu time spent up to now is 103.3 secs Computing kpt #: 113 total cpu time spent up to now is 104.3 secs Computing kpt #: 114 total cpu time spent up to now is 105.3 secs Computing kpt #: 115 total cpu time spent up to now is 106.4 secs Computing kpt #: 116 total cpu time spent up to now is 107.4 secs Computing kpt #: 117 total cpu time spent up to now is 108.4 secs Computing kpt #: 118 total cpu time spent up to now is 109.3 secs Computing kpt #: 119 total cpu time spent up to now is 110.2 secs Computing kpt #: 120 total cpu time spent up to now is 111.0 secs Computing kpt #: 121 total cpu time spent up to now is 111.8 secs Computing kpt #: 122 total cpu time spent up to now is 112.6 secs Computing kpt #: 123 total cpu time spent up to now is 113.4 secs Computing kpt #: 124 total cpu time spent up to now is 114.1 secs Computing kpt #: 125 total cpu time spent up to now is 114.9 secs Computing kpt #: 126 total cpu time spent up to now is 115.7 secs Computing kpt #: 127 total cpu time spent up to now is 116.6 secs Computing kpt #: 128 total cpu time spent up to now is 117.4 secs Computing kpt #: 129 total cpu time spent up to now is 118.3 secs Computing kpt #: 130 total cpu time spent up to now is 119.2 secs Computing kpt #: 131 total cpu time spent up to now is 120.2 secs Computing kpt #: 132 total cpu time spent up to now is 121.2 secs Computing kpt #: 133 total cpu time spent up to now is 122.1 secs Computing kpt #: 134 total cpu time spent up to now is 123.1 secs Computing kpt #: 135 total cpu time spent up to now is 124.0 secs Computing kpt #: 136 total cpu time spent up to now is 124.9 secs Computing kpt #: 137 total cpu time spent up to now is 125.9 secs Computing kpt #: 138 total cpu time spent up to now is 126.8 secs Computing kpt #: 139 total cpu time spent up to now is 127.7 secs Computing kpt #: 140 total cpu time spent up to now is 128.7 secs Computing kpt #: 141 total cpu time spent up to now is 129.7 secs Computing kpt #: 142 total cpu time spent up to now is 130.9 secs Computing kpt #: 143 total cpu time spent up to now is 131.9 secs Computing kpt #: 144 total cpu time spent up to now is 132.9 secs Computing kpt #: 145 total cpu time spent up to now is 134.0 secs Computing kpt #: 146 total cpu time spent up to now is 135.1 secs Computing kpt #: 147 total cpu time spent up to now is 136.1 secs Computing kpt #: 148 total cpu time spent up to now is 137.0 secs Computing kpt #: 149 total cpu time spent up to now is 137.9 secs Computing kpt #: 150 total cpu time spent up to now is 138.8 secs Computing kpt #: 151 total cpu time spent up to now is 139.7 secs Computing kpt #: 152 total cpu time spent up to now is 140.6 secs Computing kpt #: 153 total cpu time spent up to now is 141.5 secs Computing kpt #: 154 total cpu time spent up to now is 142.4 secs Computing kpt #: 155 total cpu time spent up to now is 143.2 secs Computing kpt #: 156 total cpu time spent up to now is 144.0 secs Computing kpt #: 157 total cpu time spent up to now is 144.8 secs Computing kpt #: 158 total cpu time spent up to now is 145.6 secs Computing kpt #: 159 total cpu time spent up to now is 146.5 secs Computing kpt #: 160 total cpu time spent up to now is 147.2 secs Computing kpt #: 161 total cpu time spent up to now is 148.0 secs Computing kpt #: 162 total cpu time spent up to now is 148.8 secs Computing kpt #: 163 total cpu time spent up to now is 149.5 secs Computing kpt #: 164 total cpu time spent up to now is 150.3 secs Computing kpt #: 165 total cpu time spent up to now is 151.0 secs Computing kpt #: 166 total cpu time spent up to now is 151.8 secs Computing kpt #: 167 total cpu time spent up to now is 152.6 secs Computing kpt #: 168 total cpu time spent up to now is 153.3 secs Computing kpt #: 169 total cpu time spent up to now is 154.2 secs Computing kpt #: 170 total cpu time spent up to now is 155.0 secs Computing kpt #: 171 total cpu time spent up to now is 155.8 secs Computing kpt #: 172 total cpu time spent up to now is 156.7 secs Computing kpt #: 173 total cpu time spent up to now is 157.6 secs Computing kpt #: 174 total cpu time spent up to now is 158.5 secs Computing kpt #: 175 total cpu time spent up to now is 159.4 secs Computing kpt #: 176 total cpu time spent up to now is 160.3 secs Computing kpt #: 177 total cpu time spent up to now is 161.3 secs Computing kpt #: 178 total cpu time spent up to now is 162.3 secs Computing kpt #: 179 total cpu time spent up to now is 163.2 secs Computing kpt #: 180 total cpu time spent up to now is 164.2 secs Computing kpt #: 181 total cpu time spent up to now is 165.2 secs Computing kpt #: 182 total cpu time spent up to now is 166.1 secs Computing kpt #: 183 total cpu time spent up to now is 166.9 secs Computing kpt #: 184 total cpu time spent up to now is 167.8 secs Computing kpt #: 185 total cpu time spent up to now is 168.7 secs Computing kpt #: 186 total cpu time spent up to now is 169.6 secs Computing kpt #: 187 total cpu time spent up to now is 170.4 secs Computing kpt #: 188 total cpu time spent up to now is 171.2 secs Computing kpt #: 189 total cpu time spent up to now is 172.1 secs Computing kpt #: 190 total cpu time spent up to now is 172.9 secs Computing kpt #: 191 total cpu time spent up to now is 173.7 secs Computing kpt #: 192 total cpu time spent up to now is 174.4 secs Computing kpt #: 193 total cpu time spent up to now is 175.2 secs Computing kpt #: 194 total cpu time spent up to now is 176.0 secs Computing kpt #: 195 total cpu time spent up to now is 176.8 secs Computing kpt #: 196 total cpu time spent up to now is 177.6 secs Computing kpt #: 197 total cpu time spent up to now is 178.4 secs Computing kpt #: 198 total cpu time spent up to now is 179.1 secs Computing kpt #: 199 total cpu time spent up to now is 180.0 secs Computing kpt #: 200 total cpu time spent up to now is 180.9 secs Computing kpt #: 201 total cpu time spent up to now is 181.8 secs Computing kpt #: 202 total cpu time spent up to now is 182.7 secs Computing kpt #: 203 total cpu time spent up to now is 183.6 secs Computing kpt #: 204 total cpu time spent up to now is 184.5 secs Computing kpt #: 205 total cpu time spent up to now is 185.3 secs Computing kpt #: 206 total cpu time spent up to now is 186.2 secs Computing kpt #: 207 total cpu time spent up to now is 187.1 secs Computing kpt #: 208 total cpu time spent up to now is 188.0 secs Computing kpt #: 209 total cpu time spent up to now is 188.9 secs Computing kpt #: 210 total cpu time spent up to now is 189.8 secs Computing kpt #: 211 total cpu time spent up to now is 190.7 secs Computing kpt #: 212 total cpu time spent up to now is 191.4 secs Computing kpt #: 213 total cpu time spent up to now is 192.2 secs Computing kpt #: 214 total cpu time spent up to now is 193.0 secs Computing kpt #: 215 total cpu time spent up to now is 193.7 secs Computing kpt #: 216 total cpu time spent up to now is 194.5 secs Computing kpt #: 217 total cpu time spent up to now is 195.3 secs Computing kpt #: 218 total cpu time spent up to now is 196.1 secs Computing kpt #: 219 total cpu time spent up to now is 196.8 secs Computing kpt #: 220 total cpu time spent up to now is 197.7 secs Computing kpt #: 221 total cpu time spent up to now is 198.6 secs Computing kpt #: 222 total cpu time spent up to now is 199.4 secs Computing kpt #: 223 total cpu time spent up to now is 200.2 secs Computing kpt #: 224 total cpu time spent up to now is 201.0 secs Computing kpt #: 225 total cpu time spent up to now is 201.7 secs Computing kpt #: 226 total cpu time spent up to now is 202.6 secs Computing kpt #: 227 total cpu time spent up to now is 203.6 secs Computing kpt #: 228 total cpu time spent up to now is 204.5 secs Computing kpt #: 229 total cpu time spent up to now is 205.5 secs Computing kpt #: 230 total cpu time spent up to now is 206.5 secs Computing kpt #: 231 total cpu time spent up to now is 207.5 secs Computing kpt #: 232 total cpu time spent up to now is 208.5 secs Computing kpt #: 233 total cpu time spent up to now is 209.5 secs Computing kpt #: 234 total cpu time spent up to now is 210.5 secs Computing kpt #: 235 total cpu time spent up to now is 211.4 secs Computing kpt #: 236 total cpu time spent up to now is 212.8 secs Computing kpt #: 237 total cpu time spent up to now is 213.7 secs Computing kpt #: 238 total cpu time spent up to now is 214.6 secs Computing kpt #: 239 total cpu time spent up to now is 215.5 secs Computing kpt #: 240 total cpu time spent up to now is 216.4 secs Computing kpt #: 241 total cpu time spent up to now is 217.3 secs Computing kpt #: 242 total cpu time spent up to now is 218.1 secs Computing kpt #: 243 total cpu time spent up to now is 219.0 secs Computing kpt #: 244 total cpu time spent up to now is 219.8 secs Computing kpt #: 245 total cpu time spent up to now is 220.7 secs Computing kpt #: 246 total cpu time spent up to now is 221.6 secs Computing kpt #: 247 total cpu time spent up to now is 222.4 secs Computing kpt #: 248 total cpu time spent up to now is 223.3 secs Computing kpt #: 249 total cpu time spent up to now is 224.2 secs Computing kpt #: 250 total cpu time spent up to now is 225.1 secs Computing kpt #: 251 total cpu time spent up to now is 225.9 secs Computing kpt #: 252 total cpu time spent up to now is 226.8 secs Computing kpt #: 253 total cpu time spent up to now is 227.7 secs Computing kpt #: 254 total cpu time spent up to now is 228.5 secs Computing kpt #: 255 total cpu time spent up to now is 229.3 secs Computing kpt #: 256 total cpu time spent up to now is 230.1 secs Computing kpt #: 257 total cpu time spent up to now is 230.9 secs Computing kpt #: 258 total cpu time spent up to now is 231.7 secs Computing kpt #: 259 total cpu time spent up to now is 232.5 secs Computing kpt #: 260 total cpu time spent up to now is 233.4 secs Computing kpt #: 261 total cpu time spent up to now is 234.3 secs Computing kpt #: 262 total cpu time spent up to now is 235.2 secs Computing kpt #: 263 total cpu time spent up to now is 236.1 secs Computing kpt #: 264 total cpu time spent up to now is 237.0 secs Computing kpt #: 265 total cpu time spent up to now is 238.0 secs Computing kpt #: 266 total cpu time spent up to now is 238.7 secs Computing kpt #: 267 total cpu time spent up to now is 239.5 secs Computing kpt #: 268 total cpu time spent up to now is 240.3 secs Computing kpt #: 269 total cpu time spent up to now is 241.1 secs Computing kpt #: 270 total cpu time spent up to now is 241.9 secs Computing kpt #: 271 total cpu time spent up to now is 242.8 secs Computing kpt #: 272 total cpu time spent up to now is 243.7 secs Computing kpt #: 273 total cpu time spent up to now is 244.6 secs Computing kpt #: 274 total cpu time spent up to now is 245.5 secs Computing kpt #: 275 total cpu time spent up to now is 246.5 secs Computing kpt #: 276 total cpu time spent up to now is 247.5 secs Computing kpt #: 277 total cpu time spent up to now is 248.4 secs Computing kpt #: 278 total cpu time spent up to now is 249.3 secs Computing kpt #: 279 total cpu time spent up to now is 250.1 secs Computing kpt #: 280 total cpu time spent up to now is 250.9 secs Computing kpt #: 281 total cpu time spent up to now is 251.7 secs Computing kpt #: 282 total cpu time spent up to now is 252.5 secs Computing kpt #: 283 total cpu time spent up to now is 253.3 secs Computing kpt #: 284 total cpu time spent up to now is 254.3 secs Computing kpt #: 285 total cpu time spent up to now is 255.2 secs Computing kpt #: 286 total cpu time spent up to now is 257.6 secs Computing kpt #: 287 total cpu time spent up to now is 264.0 secs Computing kpt #: 288 total cpu time spent up to now is 266.1 secs Computing kpt #: 289 total cpu time spent up to now is 267.0 secs Computing kpt #: 290 total cpu time spent up to now is 267.8 secs Computing kpt #: 291 total cpu time spent up to now is 268.6 secs Computing kpt #: 292 total cpu time spent up to now is 269.4 secs Computing kpt #: 293 total cpu time spent up to now is 270.2 secs Computing kpt #: 294 total cpu time spent up to now is 271.0 secs Computing kpt #: 295 total cpu time spent up to now is 271.9 secs Computing kpt #: 296 total cpu time spent up to now is 272.8 secs Computing kpt #: 297 total cpu time spent up to now is 273.6 secs Computing kpt #: 298 total cpu time spent up to now is 274.5 secs Computing kpt #: 299 total cpu time spent up to now is 275.4 secs Computing kpt #: 300 total cpu time spent up to now is 276.3 secs Computing kpt #: 301 total cpu time spent up to now is 277.3 secs Computing kpt #: 302 total cpu time spent up to now is 278.3 secs ethr = 2.08E-08, avg # of iterations = 23.5 total cpu time spent up to now is 278.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6253 PWs) bands (ev): -12.7043 -12.7043 -11.4601 -11.4601 -11.3122 -11.3122 -11.2974 -11.2974 -10.9918 -10.9918 -10.9772 -10.9772 -3.4387 -3.4387 -2.4492 -2.4492 -1.5556 -1.5556 -1.4391 -1.4391 -1.2889 -1.2889 -0.9630 -0.9630 -0.8223 -0.8223 0.2191 0.2191 0.6966 0.6966 0.8067 0.8067 0.9098 0.9098 1.1857 1.1857 1.2166 1.2166 1.7633 1.7633 1.8602 1.8602 1.8851 1.8851 2.0066 2.0066 2.0313 2.0313 7.6678 7.6678 7.7605 7.7605 9.3239 9.3239 10.2363 10.2363 10.8005 10.8005 k = 0.0090 0.0156-0.0045 ( 6254 PWs) bands (ev): -12.7037 -12.7037 -11.4598 -11.4598 -11.3125 -11.3125 -11.2984 -11.2984 -10.9919 -10.9919 -10.9773 -10.9773 -3.4377 -3.4377 -2.4488 -2.4488 -1.5565 -1.5565 -1.4389 -1.4389 -1.2895 -1.2895 -0.9582 -0.9582 -0.8232 -0.8232 0.2217 0.2217 0.6880 0.6880 0.8153 0.8153 0.9087 0.9087 1.1859 1.1859 1.2159 1.2159 1.7598 1.7598 1.8561 1.8561 1.8870 1.8870 2.0054 2.0054 2.0312 2.0312 7.6709 7.6709 7.7617 7.7617 9.3272 9.3272 10.2372 10.2372 10.8001 10.8001 k = 0.0180 0.0312-0.0089 ( 6257 PWs) bands (ev): -12.7017 -12.7017 -11.4589 -11.4589 -11.3132 -11.3132 -11.3014 -11.3014 -10.9922 -10.9922 -10.9777 -10.9777 -3.4347 -3.4347 -2.4478 -2.4478 -1.5592 -1.5592 -1.4384 -1.4384 -1.2910 -1.2910 -0.9444 -0.9444 -0.8258 -0.8258 0.2294 0.2294 0.6672 0.6672 0.8359 0.8359 0.9057 0.9057 1.1865 1.1865 1.2139 1.2139 1.7494 1.7494 1.8464 1.8464 1.8897 1.8897 2.0013 2.0013 2.0312 2.0312 7.6801 7.6801 7.7654 7.7654 9.3371 9.3371 10.2397 10.2397 10.7938 10.7938 k = 0.0270 0.0468-0.0134 ( 6267 PWs) bands (ev): -12.6985 -12.6985 -11.4574 -11.4574 -11.3144 -11.3144 -11.3062 -11.3062 -10.9925 -10.9925 -10.9783 -10.9783 -3.4297 -3.4297 -2.4460 -2.4460 -1.5636 -1.5636 -1.4375 -1.4375 -1.2925 -1.2925 -0.9230 -0.9230 -0.8295 -0.8295 0.2421 0.2421 0.6409 0.6409 0.8619 0.8619 0.9007 0.9007 1.1873 1.1873 1.2108 1.2108 1.7326 1.7326 1.8338 1.8338 1.8900 1.8900 1.9942 1.9942 2.0324 2.0324 7.6952 7.6952 7.7715 7.7715 9.3534 9.3534 10.2439 10.2439 10.7654 10.7654 k = 0.0361 0.0624-0.0178 ( 6259 PWs) bands (ev): -12.6940 -12.6940 -11.4552 -11.4552 -11.3161 -11.3161 -11.3130 -11.3130 -10.9931 -10.9931 -10.9792 -10.9792 -3.4227 -3.4227 -2.4435 -2.4435 -1.5697 -1.5697 -1.4363 -1.4363 -1.2928 -1.2928 -0.8970 -0.8970 -0.8325 -0.8325 0.2594 0.2594 0.6121 0.6121 0.8880 0.8880 0.8959 0.8959 1.1878 1.1878 1.2070 1.2070 1.7098 1.7098 1.8191 1.8191 1.8856 1.8856 1.9854 1.9854 2.0347 2.0347 7.7159 7.7159 7.7798 7.7798 9.3759 9.3759 10.2499 10.2499 10.7170 10.7170 k = 0.0451 0.0780-0.0223 ( 6260 PWs) bands (ev): -12.6881 -12.6881 -11.4525 -11.4525 -11.3216 -11.3216 -11.3182 -11.3182 -10.9937 -10.9937 -10.9804 -10.9804 -3.4139 -3.4139 -2.4405 -2.4405 -1.5772 -1.5772 -1.4346 -1.4346 -1.2911 -1.2911 -0.8750 -0.8750 -0.8270 -0.8270 0.2809 0.2809 0.5819 0.5819 0.8841 0.8841 0.9202 0.9202 1.1867 1.1867 1.2041 1.2041 1.6815 1.6815 1.8027 1.8027 1.8748 1.8748 1.9772 1.9772 2.0375 2.0375 7.7417 7.7417 7.7902 7.7902 9.4041 9.4041 10.2578 10.2578 10.6595 10.6595 k = 0.0541 0.0936-0.0267 ( 6254 PWs) bands (ev): -12.6811 -12.6811 -11.4492 -11.4492 -11.3319 -11.3319 -11.3209 -11.3209 -10.9945 -10.9945 -10.9819 -10.9819 -3.4032 -3.4032 -2.4367 -2.4367 -1.5857 -1.5857 -1.4325 -1.4325 -1.2867 -1.2867 -0.8708 -0.8708 -0.8002 -0.8002 0.3061 0.3061 0.5509 0.5509 0.8739 0.8739 0.9492 0.9492 1.1822 1.1822 1.2036 1.2036 1.6482 1.6482 1.7846 1.7846 1.8571 1.8571 1.9709 1.9709 2.0404 2.0404 7.7720 7.7720 7.8026 7.8026 9.4374 9.4374 10.2675 10.2675 10.5977 10.5977 k = 0.0631 0.1092-0.0312 ( 6261 PWs) bands (ev): -12.6727 -12.6727 -11.4453 -11.4453 -11.3440 -11.3440 -11.3241 -11.3241 -10.9954 -10.9954 -10.9838 -10.9838 -3.3906 -3.3906 -2.4324 -2.4324 -1.5948 -1.5948 -1.4300 -1.4300 -1.2795 -1.2795 -0.8770 -0.8770 -0.7597 -0.7597 0.3344 0.3344 0.5193 0.5193 0.8620 0.8620 0.9777 0.9777 1.1749 1.1749 1.2055 1.2055 1.6103 1.6103 1.7647 1.7647 1.8339 1.8339 1.9665 1.9665 2.0430 2.0430 7.8060 7.8060 7.8166 7.8166 9.4751 9.4751 10.2793 10.2793 10.5344 10.5344 k = 0.0721 0.1248-0.0356 ( 6266 PWs) bands (ev): -12.6632 -12.6632 -11.4409 -11.4409 -11.3576 -11.3576 -11.3277 -11.3277 -10.9963 -10.9963 -10.9860 -10.9860 -3.3764 -3.3764 -2.4276 -2.4276 -1.6040 -1.6040 -1.4271 -1.4271 -1.2693 -1.2693 -0.8863 -0.8863 -0.7135 -0.7135 0.3644 0.3644 0.4882 0.4882 0.8488 0.8488 1.0043 1.0043 1.1661 1.1661 1.2088 1.2088 1.5681 1.5681 1.7430 1.7430 1.8070 1.8070 1.9633 1.9633 2.0452 2.0452 7.8318 7.8318 7.8432 7.8432 9.5162 9.5162 10.2931 10.2931 10.4721 10.4721 k = 0.0811 0.1404-0.0401 ( 6268 PWs) bands (ev): -12.6524 -12.6524 -11.4359 -11.4359 -11.3727 -11.3727 -11.3318 -11.3318 -10.9973 -10.9973 -10.9886 -10.9886 -3.3604 -3.3604 -2.4223 -2.4223 -1.6129 -1.6129 -1.4237 -1.4237 -1.2564 -1.2564 -0.8965 -0.8965 -0.6639 -0.6639 0.3916 0.3916 0.4613 0.4613 0.8345 0.8345 1.0274 1.0274 1.1578 1.1578 1.2128 1.2128 1.5221 1.5221 1.7194 1.7194 1.7787 1.7787 1.9605 1.9605 2.0467 2.0467 7.8483 7.8483 7.8824 7.8824 9.5593 9.5593 10.3092 10.3092 10.4129 10.4129 k = 0.0901 0.1560-0.0445 ( 6264 PWs) bands (ev): -12.6404 -12.6404 -11.4304 -11.4304 -11.3893 -11.3893 -11.3364 -11.3364 -10.9984 -10.9984 -10.9916 -10.9916 -3.3429 -3.3429 -2.4167 -2.4167 -1.6211 -1.6211 -1.4200 -1.4200 -1.2407 -1.2407 -0.9071 -0.9071 -0.6118 -0.6118 0.3943 0.3943 0.4598 0.4598 0.8194 0.8194 1.0435 1.0435 1.1528 1.1528 1.2174 1.2174 1.4729 1.4729 1.6942 1.6942 1.7505 1.7505 1.9575 1.9575 2.0477 2.0477 7.8655 7.8655 7.9227 7.9227 9.6026 9.6026 10.3273 10.3273 10.3596 10.3596 k = 0.0991 0.1716-0.0490 ( 6276 PWs) bands (ev): -12.6272 -12.6272 -11.4245 -11.4245 -11.4072 -11.4072 -11.3413 -11.3413 -10.9994 -10.9994 -10.9950 -10.9950 -3.3239 -3.3239 -2.4106 -2.4106 -1.6283 -1.6283 -1.4158 -1.4158 -1.2227 -1.2227 -0.9176 -0.9176 -0.5579 -0.5579 0.3667 0.3667 0.4891 0.4891 0.8038 0.8038 1.0481 1.0481 1.1547 1.1547 1.2225 1.2225 1.4215 1.4215 1.6681 1.6681 1.7232 1.7232 1.9541 1.9541 2.0480 2.0480 7.8831 7.8831 7.9631 7.9631 9.6435 9.6435 10.3137 10.3137 10.3487 10.3487 k = 0.1082 0.1872-0.0534 ( 6278 PWs) bands (ev): -12.6129 -12.6129 -11.4263 -11.4263 -11.4181 -11.4181 -11.3467 -11.3467 -11.0005 -11.0005 -10.9987 -10.9987 -3.3035 -3.3035 -2.4044 -2.4044 -1.6342 -1.6342 -1.4113 -1.4113 -1.2023 -1.2023 -0.9277 -0.9277 -0.5027 -0.5027 0.3309 0.3309 0.5261 0.5261 0.7880 0.7880 1.0394 1.0394 1.1634 1.1634 1.2275 1.2275 1.3700 1.3700 1.6423 1.6423 1.6970 1.6970 1.9501 1.9501 2.0477 2.0477 7.9008 7.9008 8.0027 8.0027 9.6790 9.6790 10.2806 10.2806 10.3717 10.3717 k = 0.1172 0.2028-0.0579 ( 6282 PWs) bands (ev): -12.5975 -12.5975 -11.4465 -11.4465 -11.4115 -11.4115 -11.3524 -11.3524 -11.0029 -11.0029 -11.0014 -11.0014 -3.2817 -3.2817 -2.3979 -2.3979 -1.6386 -1.6386 -1.4064 -1.4064 -1.1800 -1.1800 -0.9373 -0.9373 -0.4467 -0.4467 0.2922 0.2922 0.5653 0.5653 0.7724 0.7724 1.0202 1.0202 1.1729 1.1729 1.2316 1.2316 1.3231 1.3231 1.6181 1.6181 1.6719 1.6719 1.9455 1.9455 2.0467 2.0467 7.9182 7.9182 8.0402 8.0402 9.7054 9.7054 10.2628 10.2628 10.3972 10.3972 k = 0.1262 0.2184-0.0623 ( 6290 PWs) bands (ev): -12.5810 -12.5810 -11.4678 -11.4678 -11.4046 -11.4046 -11.3583 -11.3583 -11.0075 -11.0075 -11.0024 -11.0024 -3.2587 -3.2587 -2.3915 -2.3915 -1.6414 -1.6414 -1.4011 -1.4011 -1.1558 -1.1558 -0.9462 -0.9462 -0.3903 -0.3903 0.2514 0.2514 0.6050 0.6050 0.7574 0.7574 0.9931 0.9931 1.1715 1.1715 1.2325 1.2325 1.2923 1.2923 1.5968 1.5968 1.6476 1.6476 1.9402 1.9402 2.0453 2.0453 7.9349 7.9349 8.0747 8.0747 9.7203 9.7203 10.2630 10.2630 10.4252 10.4252 k = 0.1352 0.2340-0.0668 ( 6290 PWs) bands (ev): -12.5635 -12.5635 -11.4900 -11.4900 -11.3979 -11.3979 -11.3640 -11.3640 -11.0124 -11.0124 -11.0032 -11.0032 -3.2346 -3.2346 -2.3850 -2.3850 -1.6425 -1.6425 -1.3954 -1.3954 -1.1300 -1.1300 -0.9546 -0.9546 -0.3342 -0.3342 0.2089 0.2089 0.6437 0.6437 0.7437 0.7437 0.9591 0.9591 1.1465 1.1465 1.2337 1.2337 1.2863 1.2863 1.5793 1.5793 1.6242 1.6242 1.9343 1.9343 2.0434 2.0434 7.9506 7.9506 8.1052 8.1052 9.7234 9.7234 10.2811 10.2811 10.4554 10.4554 k = 0.1442 0.2496-0.0712 ( 6288 PWs) bands (ev): -12.5449 -12.5449 -11.5130 -11.5130 -11.3925 -11.3925 -11.3685 -11.3685 -11.0178 -11.0178 -11.0040 -11.0040 -3.2093 -3.2093 -2.3787 -2.3787 -1.6419 -1.6419 -1.3894 -1.3894 -1.1027 -1.1027 -0.9623 -0.9623 -0.2788 -0.2788 0.1648 0.1648 0.6791 0.6791 0.7330 0.7330 0.9184 0.9184 1.1071 1.1071 1.2388 1.2388 1.2933 1.2933 1.5661 1.5661 1.6018 1.6018 1.9277 1.9277 2.0410 2.0410 7.9650 7.9650 8.1309 8.1309 9.7174 9.7174 10.3142 10.3142 10.4876 10.4876 k = 0.1532 0.2651-0.0757 ( 6296 PWs) bands (ev): -12.5254 -12.5254 -11.5367 -11.5367 -11.3912 -11.3912 -11.3688 -11.3688 -11.0234 -11.0234 -11.0046 -11.0046 -3.1831 -3.1831 -2.3727 -2.3727 -1.6396 -1.6396 -1.3831 -1.3831 -1.0744 -1.0744 -0.9695 -0.9695 -0.2247 -0.2247 0.1194 0.1194 0.7014 0.7014 0.7331 0.7331 0.8721 0.8721 1.0671 1.0671 1.2452 1.2452 1.3035 1.3035 1.5563 1.5563 1.5818 1.5818 1.9205 1.9205 2.0382 2.0382 7.9778 7.9778 8.1509 8.1509 9.7058 9.7058 10.3581 10.3581 10.5214 10.5214 k = 0.1622 0.2807-0.0802 ( 6296 PWs) bands (ev): -12.5050 -12.5050 -11.5611 -11.5611 -11.3953 -11.3953 -11.3638 -11.3638 -11.0294 -11.0294 -11.0051 -11.0051 -3.1559 -3.1559 -2.3670 -2.3670 -1.6356 -1.6356 -1.3766 -1.3766 -1.0452 -1.0452 -0.9762 -0.9762 -0.1727 -0.1727 0.0731 0.0731 0.7012 0.7012 0.7468 0.7468 0.8258 0.8258 1.0333 1.0333 1.2515 1.2515 1.3135 1.3135 1.5449 1.5449 1.5692 1.5692 1.9128 1.9128 2.0351 2.0351 7.9889 7.9889 8.1650 8.1650 9.6920 9.6920 10.4085 10.4085 10.5562 10.5562 k = 0.1712 0.2963-0.0846 ( 6298 PWs) bands (ev): -12.4838 -12.4838 -11.5861 -11.5861 -11.4020 -11.4020 -11.3561 -11.3561 -11.0357 -11.0357 -11.0054 -11.0054 -3.1279 -3.1279 -2.3619 -2.3619 -1.6300 -1.6300 -1.3697 -1.3697 -1.0158 -1.0158 -0.9823 -0.9823 -0.1235 -0.1235 0.0264 0.0264 0.6949 0.6949 0.7309 0.7309 0.8049 0.8049 1.0098 1.0098 1.2577 1.2577 1.3220 1.3220 1.5277 1.5277 1.5679 1.5679 1.9047 1.9047 2.0318 2.0318 7.9979 7.9979 8.1729 8.1729 9.6782 9.6782 10.4620 10.4620 10.5911 10.5911 k = 0.1803 0.3119-0.0891 ( 6288 PWs) bands (ev): -12.4617 -12.4617 -11.6114 -11.6114 -11.4098 -11.4098 -11.3474 -11.3474 -11.0423 -11.0423 -11.0056 -11.0056 -3.0991 -3.0991 -2.3576 -2.3576 -1.6228 -1.6228 -1.3626 -1.3626 -0.9955 -0.9955 -0.9790 -0.9790 -0.0783 -0.0783 -0.0197 -0.0197 0.6662 0.6662 0.7031 0.7031 0.8057 0.8057 1.0011 1.0011 1.2635 1.2635 1.3289 1.3289 1.5086 1.5086 1.5734 1.5734 1.8963 1.8963 2.0281 2.0281 8.0048 8.0048 8.1747 8.1747 9.6658 9.6658 10.5160 10.5160 10.6247 10.6247 k = 0.1893 0.3275-0.0935 ( 6292 PWs) bands (ev): -12.4389 -12.4389 -11.6372 -11.6372 -11.4181 -11.4181 -11.3382 -11.3382 -11.0492 -11.0492 -11.0057 -11.0057 -3.0695 -3.0695 -2.3540 -2.3540 -1.6141 -1.6141 -1.3554 -1.3554 -1.0001 -1.0001 -0.9512 -0.9512 -0.0697 -0.0697 -0.0326 -0.0326 0.6047 0.6047 0.7023 0.7023 0.7996 0.7996 1.0085 1.0085 1.2691 1.2691 1.3342 1.3342 1.4897 1.4897 1.5827 1.5827 1.8877 1.8877 2.0243 2.0243 8.0096 8.0096 8.1709 8.1709 9.6552 9.6552 10.5687 10.5687 10.6550 10.6550 k = 0.1983 0.3431-0.0980 ( 6293 PWs) bands (ev): -12.4155 -12.4155 -11.6632 -11.6632 -11.4268 -11.4268 -11.3287 -11.3287 -11.0562 -11.0562 -11.0055 -11.0055 -3.0393 -3.0393 -2.3515 -2.3515 -1.6041 -1.6041 -1.3481 -1.3481 -1.0086 -1.0086 -0.9205 -0.9205 -0.1128 -0.1128 0.0027 0.0027 0.5379 0.5379 0.7085 0.7085 0.7842 0.7842 1.0283 1.0283 1.2744 1.2744 1.3386 1.3386 1.4716 1.4716 1.5941 1.5941 1.8791 1.8791 2.0203 2.0203 8.0123 8.0123 8.1619 8.1619 9.6465 9.6465 10.6183 10.6183 10.6797 10.6797 k = 0.2073 0.3587-0.1024 ( 6297 PWs) bands (ev): -12.3914 -12.3914 -11.6895 -11.6895 -11.4356 -11.4356 -11.3189 -11.3189 -11.0635 -11.0635 -11.0052 -11.0052 -3.0085 -3.0085 -2.3502 -2.3502 -1.5928 -1.5928 -1.3409 -1.3409 -1.0189 -1.0189 -0.8896 -0.8896 -0.1549 -0.1549 0.0342 0.0342 0.4699 0.4699 0.7197 0.7197 0.7640 0.7640 1.0550 1.0550 1.2794 1.2794 1.3423 1.3423 1.4546 1.4546 1.6065 1.6065 1.8705 1.8705 2.0160 2.0160 8.0129 8.0129 8.1485 8.1485 9.6392 9.6392 10.6635 10.6635 10.6837 10.6837 k = 0.2163 0.3743-0.1069 ( 6303 PWs) bands (ev): -12.3669 -12.3669 -11.7158 -11.7158 -11.4445 -11.4445 -11.3090 -11.3090 -11.0709 -11.0709 -11.0047 -11.0047 -2.9771 -2.9771 -2.3503 -2.3503 -1.5804 -1.5804 -1.3339 -1.3339 -1.0313 -1.0313 -0.8590 -0.8590 -0.1939 -0.1939 0.0604 0.0604 0.4018 0.4018 0.7301 0.7301 0.7476 0.7476 1.0849 1.0849 1.2841 1.2841 1.3456 1.3456 1.4390 1.4390 1.6192 1.6192 1.8622 1.8622 2.0117 2.0117 8.0116 8.0116 8.1315 8.1315 9.6331 9.6331 10.6038 10.6038 10.7012 10.7012 k = 0.2253 0.3899-0.1113 ( 6307 PWs) bands (ev): -12.3419 -12.3419 -11.7421 -11.7421 -11.4534 -11.4534 -11.2991 -11.2991 -11.0785 -11.0785 -11.0040 -11.0040 -2.9453 -2.9453 -2.3521 -2.3521 -1.5670 -1.5670 -1.3274 -1.3274 -1.0459 -1.0459 -0.8289 -0.8289 -0.2289 -0.2289 0.0813 0.0813 0.3346 0.3346 0.7144 0.7144 0.7618 0.7618 1.1157 1.1157 1.2886 1.2886 1.3486 1.3486 1.4249 1.4249 1.6315 1.6315 1.8545 1.8545 2.0071 2.0071 8.0086 8.0086 8.1118 8.1118 9.6277 9.6277 10.5257 10.5257 10.7034 10.7034 k = 0.2343 0.4055-0.1158 ( 6300 PWs) bands (ev): -12.3166 -12.3166 -11.7684 -11.7684 -11.4623 -11.4623 -11.2891 -11.2891 -11.0861 -11.0861 -11.0031 -11.0031 -2.9131 -2.9131 -2.3556 -2.3556 -1.5528 -1.5528 -1.3218 -1.3218 -1.0627 -1.0627 -0.7995 -0.7995 -0.2593 -0.2593 0.0971 0.0971 0.2688 0.2688 0.6931 0.6931 0.7865 0.7865 1.1464 1.1464 1.2930 1.2930 1.3514 1.3514 1.4122 1.4122 1.6430 1.6430 1.8474 1.8474 2.0023 2.0023 8.0043 8.0043 8.0900 8.0900 9.6225 9.6225 10.4511 10.4511 10.6971 10.6971 k = 0.2434 0.4211-0.1202 ( 6304 PWs) bands (ev): -12.2911 -12.2911 -11.7946 -11.7946 -11.4709 -11.4709 -11.2791 -11.2791 -11.0938 -11.0938 -11.0021 -11.0021 -2.8805 -2.8805 -2.3612 -2.3612 -1.5379 -1.5379 -1.3178 -1.3178 -1.0813 -1.0813 -0.7709 -0.7709 -0.2846 -0.2846 0.1085 0.1085 0.2052 0.2052 0.6727 0.6727 0.8146 0.8146 1.1761 1.1761 1.2973 1.2973 1.3539 1.3539 1.4009 1.4009 1.6534 1.6534 1.8413 1.8413 1.9973 1.9973 7.9990 7.9990 8.0668 8.0668 9.6175 9.6175 10.3803 10.3803 10.6879 10.6879 k = 0.2524 0.4367-0.1247 ( 6300 PWs) bands (ev): -12.2654 -12.2654 -11.8205 -11.8205 -11.4794 -11.4794 -11.2693 -11.2693 -11.1016 -11.1016 -11.0009 -11.0009 -2.8476 -2.8476 -2.3690 -2.3690 -1.5225 -1.5225 -1.3164 -1.3164 -1.1005 -1.1005 -0.7433 -0.7433 -0.3050 -0.3050 0.1148 0.1148 0.1457 0.1457 0.6541 0.6541 0.8445 0.8445 1.2044 1.2044 1.3019 1.3019 1.3562 1.3562 1.3912 1.3912 1.6624 1.6624 1.8364 1.8364 1.9919 1.9919 7.9931 7.9931 8.0429 8.0429 9.6124 9.6124 10.3138 10.3138 10.6786 10.6786 k = 0.2614 0.4523-0.1291 ( 6294 PWs) bands (ev): -12.2398 -12.2398 -11.8462 -11.8462 -11.4875 -11.4875 -11.2595 -11.2595 -11.1093 -11.1093 -10.9995 -10.9995 -2.8146 -2.8146 -2.3792 -2.3792 -1.5066 -1.5066 -1.3190 -1.3190 -1.1186 -1.1186 -0.7167 -0.7167 -0.3209 -0.3209 0.0834 0.0834 0.1243 0.1243 0.6376 0.6376 0.8750 0.8750 1.2306 1.2306 1.3070 1.3070 1.3581 1.3581 1.3832 1.3832 1.6700 1.6700 1.8328 1.8328 1.9861 1.9861 7.9870 7.9870 8.0187 8.0187 9.6072 9.6072 10.2521 10.2521 10.6710 10.6710 k = 0.2704 0.4679-0.1336 ( 6292 PWs) bands (ev): -12.2142 -12.2142 -11.8715 -11.8715 -11.4952 -11.4952 -11.2499 -11.2499 -11.1171 -11.1171 -10.9981 -10.9981 -2.7815 -2.7815 -2.3921 -2.3921 -1.4903 -1.4903 -1.3273 -1.3273 -1.1333 -1.1333 -0.6913 -0.6913 -0.3333 -0.3333 0.0308 0.0308 0.1261 0.1261 0.6236 0.6236 0.9048 0.9048 1.2539 1.2539 1.3129 1.3129 1.3588 1.3588 1.3782 1.3782 1.6761 1.6761 1.8308 1.8308 1.9799 1.9799 7.9807 7.9807 7.9949 7.9949 9.6021 9.6021 10.1954 10.1954 10.6663 10.6663 k = 0.2794 0.4835-0.1380 ( 6287 PWs) bands (ev): -12.1890 -12.1890 -11.8963 -11.8963 -11.5024 -11.5024 -11.2405 -11.2405 -11.1247 -11.1247 -10.9964 -10.9964 -2.7484 -2.7484 -2.4076 -2.4076 -1.4738 -1.4738 -1.3425 -1.3425 -1.1426 -1.1426 -0.6671 -0.6671 -0.3439 -0.3439 -0.0169 -0.0169 0.1270 0.1270 0.6120 0.6120 0.9329 0.9329 1.2730 1.2730 1.3197 1.3197 1.3567 1.3567 1.3791 1.3791 1.6808 1.6808 1.8306 1.8306 1.9730 1.9730 7.9681 7.9681 7.9785 7.9785 9.5970 9.5970 10.1441 10.1441 10.6650 10.6650 k = 0.2884 0.4991-0.1425 ( 6285 PWs) bands (ev): -12.1641 -12.1641 -11.9207 -11.9207 -11.5089 -11.5089 -11.2313 -11.2313 -11.1323 -11.1323 -10.9947 -10.9947 -2.7154 -2.7154 -2.4260 -2.4260 -1.4573 -1.4573 -1.3644 -1.3644 -1.1458 -1.1458 -0.6442 -0.6442 -0.3550 -0.3550 -0.0573 -0.0573 0.1268 0.1268 0.6030 0.6030 0.9582 0.9582 1.2863 1.2863 1.3273 1.3273 1.3523 1.3523 1.3867 1.3867 1.6842 1.6842 1.8322 1.8322 1.9655 1.9655 7.9454 7.9454 7.9737 7.9737 9.5921 9.5921 10.0983 10.0983 10.6677 10.6677 k = 0.2974 0.5147-0.1470 ( 6287 PWs) bands (ev): -12.1398 -12.1398 -11.9446 -11.9446 -11.5147 -11.5147 -11.2223 -11.2223 -11.1398 -11.1398 -10.9929 -10.9929 -2.6826 -2.6826 -2.4471 -2.4471 -1.4413 -1.4413 -1.3911 -1.3911 -1.1436 -1.1436 -0.6227 -0.6227 -0.3689 -0.3689 -0.0882 -0.0882 0.1260 0.1260 0.5967 0.5967 0.9798 0.9798 1.2928 1.2928 1.3340 1.3340 1.3498 1.3498 1.3997 1.3997 1.6863 1.6863 1.8357 1.8357 1.9573 1.9573 7.9224 7.9224 7.9714 7.9714 9.5876 9.5876 10.0584 10.0584 10.6743 10.6743 k = 0.3064 0.5303-0.1514 ( 6293 PWs) bands (ev): -12.1162 -12.1162 -11.9678 -11.9678 -11.5197 -11.5197 -11.2137 -11.2137 -11.1471 -11.1471 -10.9911 -10.9911 -2.6502 -2.6502 -2.4711 -2.4711 -1.4333 -1.4333 -1.4132 -1.4132 -1.1372 -1.1372 -0.6028 -0.6028 -0.3880 -0.3880 -0.1080 -0.1080 0.1248 0.1248 0.5930 0.5930 0.9972 0.9972 1.2931 1.2931 1.3334 1.3334 1.3563 1.3563 1.4166 1.4166 1.6873 1.6873 1.8412 1.8412 1.9483 1.9483 7.8997 7.8997 7.9714 7.9714 9.5837 9.5837 10.0244 10.0244 10.6851 10.6851 k = 0.3155 0.5459-0.1559 ( 6293 PWs) bands (ev): -12.0936 -12.0936 -11.9904 -11.9904 -11.5237 -11.5237 -11.2053 -11.2053 -11.1542 -11.1542 -10.9892 -10.9892 -2.6184 -2.6184 -2.4976 -2.4976 -1.4597 -1.4597 -1.4027 -1.4027 -1.1277 -1.1277 -0.5845 -0.5845 -0.4128 -0.4128 -0.1165 -0.1165 0.1236 0.1236 0.5919 0.5919 1.0098 1.0098 1.2887 1.2887 1.3287 1.3287 1.3690 1.3690 1.4357 1.4357 1.6874 1.6874 1.8484 1.8484 1.9386 1.9386 7.8775 7.8775 7.9737 7.9737 9.5803 9.5803 9.9965 9.9965 10.6998 10.6998 k = 0.3245 0.5615-0.1603 ( 6291 PWs) bands (ev): -12.0719 -12.0719 -12.0123 -12.0123 -11.5267 -11.5267 -11.1972 -11.1972 -11.1612 -11.1612 -10.9874 -10.9874 -2.5872 -2.5872 -2.5266 -2.5266 -1.4928 -1.4928 -1.3858 -1.3858 -1.1160 -1.1160 -0.5682 -0.5682 -0.4423 -0.4423 -0.1150 -0.1150 0.1230 0.1230 0.5934 0.5934 1.0173 1.0173 1.2809 1.2809 1.3236 1.3236 1.3837 1.3837 1.4557 1.4557 1.6868 1.6868 1.8570 1.8570 1.9285 1.9285 7.8556 7.8556 7.9788 7.9788 9.5778 9.5778 9.9748 9.9748 10.7184 10.7184 k = 0.3335 0.5771-0.1648 ( 6289 PWs) bands (ev): -12.0516 -12.0516 -12.0334 -12.0334 -11.5285 -11.5285 -11.1893 -11.1893 -11.1679 -11.1679 -10.9856 -10.9856 -2.5590 -2.5590 -2.5555 -2.5555 -1.5265 -1.5265 -1.3680 -1.3680 -1.1027 -1.1027 -0.5543 -0.5543 -0.4745 -0.4745 -0.1059 -0.1059 0.1234 0.1234 0.5973 0.5973 1.0197 1.0197 1.2705 1.2705 1.3194 1.3194 1.3991 1.3991 1.4756 1.4756 1.6855 1.6855 1.8660 1.8660 1.9189 1.9189 7.8342 7.8342 7.9867 7.9867 9.5761 9.5761 9.9594 9.9594 10.7221 10.7221 k = 0.3335 0.5771-0.1648 ( 6289 PWs) bands (ev): -12.0516 -12.0516 -12.0334 -12.0334 -11.5285 -11.5285 -11.1893 -11.1893 -11.1679 -11.1679 -10.9856 -10.9856 -2.5590 -2.5590 -2.5555 -2.5555 -1.5265 -1.5265 -1.3680 -1.3680 -1.1027 -1.1027 -0.5543 -0.5543 -0.4745 -0.4745 -0.1059 -0.1059 0.1234 0.1234 0.5973 0.5973 1.0197 1.0197 1.2705 1.2705 1.3194 1.3194 1.3991 1.3991 1.4756 1.4756 1.6855 1.6855 1.8660 1.8660 1.9189 1.9189 7.8342 7.8342 7.9867 7.9867 9.5761 9.5761 9.9594 9.9594 10.7221 10.7221 k = 0.3363 0.5820-0.1477 ( 6287 PWs) bands (ev): -12.0465 -12.0465 -12.0357 -12.0357 -11.5270 -11.5270 -11.1869 -11.1869 -11.1756 -11.1756 -10.9861 -10.9861 -2.5665 -2.5665 -2.5530 -2.5530 -1.5326 -1.5326 -1.3501 -1.3501 -1.0896 -1.0896 -0.5336 -0.5336 -0.4875 -0.4875 -0.1010 -0.1010 0.1253 0.1253 0.5767 0.5767 1.0169 1.0169 1.2769 1.2769 1.3107 1.3107 1.3957 1.3957 1.4743 1.4743 1.6815 1.6815 1.8624 1.8624 1.9137 1.9137 7.8388 7.8388 7.9869 7.9869 9.5942 9.5942 9.9742 9.9742 10.6915 10.6915 k = 0.3391 0.5868-0.1306 ( 6286 PWs) bands (ev): -12.0412 -12.0412 -12.0376 -12.0376 -11.5253 -11.5253 -11.1851 -11.1851 -11.1836 -11.1836 -10.9865 -10.9865 -2.5749 -2.5749 -2.5496 -2.5496 -1.5370 -1.5370 -1.3329 -1.3329 -1.0784 -1.0784 -0.5139 -0.5139 -0.4961 -0.4961 -0.0968 -0.0968 0.1273 0.1273 0.5583 0.5583 1.0136 1.0136 1.2799 1.2799 1.2975 1.2975 1.3982 1.3982 1.4728 1.4728 1.6778 1.6778 1.8589 1.8589 1.9074 1.9074 7.8435 7.8435 7.9853 7.9853 9.6160 9.6160 9.9896 9.9896 10.6417 10.6417 k = 0.3419 0.5917-0.1136 ( 6286 PWs) bands (ev): -12.0392 -12.0392 -12.0355 -12.0355 -11.5235 -11.5235 -11.1918 -11.1918 -11.1840 -11.1840 -10.9869 -10.9869 -2.5835 -2.5835 -2.5459 -2.5459 -1.5399 -1.5399 -1.3166 -1.3166 -1.0692 -1.0692 -0.5131 -0.5131 -0.4825 -0.4825 -0.0937 -0.0937 0.1295 0.1295 0.5426 0.5426 1.0099 1.0099 1.2700 1.2700 1.2925 1.2925 1.4039 1.4039 1.4711 1.4711 1.6744 1.6744 1.8555 1.8555 1.9004 1.9004 7.8481 7.8481 7.9820 7.9820 9.6409 9.6409 10.0054 10.0054 10.5924 10.5924 k = 0.3447 0.5966-0.0965 ( 6281 PWs) bands (ev): -12.0406 -12.0406 -12.0296 -12.0296 -11.5214 -11.5214 -11.2003 -11.2003 -11.1836 -11.1836 -10.9873 -10.9873 -2.5921 -2.5921 -2.5421 -2.5421 -1.5413 -1.5413 -1.3014 -1.3014 -1.0619 -1.0619 -0.5206 -0.5206 -0.4578 -0.4578 -0.0915 -0.0915 0.1321 0.1321 0.5299 0.5299 1.0058 1.0058 1.2505 1.2505 1.2945 1.2945 1.4107 1.4107 1.4688 1.4688 1.6712 1.6712 1.8521 1.8521 1.8930 1.8930 7.8527 7.8527 7.9771 7.9771 9.6686 9.6686 10.0216 10.0216 10.5447 10.5447 k = 0.3476 0.6015-0.0794 ( 6286 PWs) bands (ev): -12.0417 -12.0417 -12.0235 -12.0235 -11.5193 -11.5193 -11.2089 -11.2089 -11.1836 -11.1836 -10.9878 -10.9878 -2.6009 -2.6009 -2.5379 -2.5379 -1.5412 -1.5412 -1.2874 -1.2874 -1.0566 -1.0566 -0.5275 -0.5275 -0.4311 -0.4311 -0.0905 -0.0905 0.1349 0.1349 0.5206 0.5206 1.0014 1.0014 1.2291 1.2291 1.2967 1.2967 1.4177 1.4177 1.4657 1.4657 1.6681 1.6681 1.8486 1.8486 1.8858 1.8858 7.8570 7.8570 7.9709 7.9709 9.6985 9.6985 10.0378 10.0378 10.4996 10.4996 k = 0.3504 0.6063-0.0624 ( 6291 PWs) bands (ev): -12.0427 -12.0427 -12.0172 -12.0172 -11.5171 -11.5171 -11.2176 -11.2176 -11.1841 -11.1841 -10.9883 -10.9883 -2.6098 -2.6098 -2.5333 -2.5333 -1.5398 -1.5398 -1.2747 -1.2747 -1.0530 -1.0530 -0.5335 -0.5335 -0.4035 -0.4035 -0.0905 -0.0905 0.1383 0.1383 0.5148 0.5148 0.9966 0.9966 1.2076 1.2076 1.2983 1.2983 1.4244 1.4244 1.4615 1.4615 1.6652 1.6652 1.8447 1.8447 1.8795 1.8795 7.8610 7.8610 7.9635 7.9635 9.7301 9.7301 10.0534 10.0534 10.4582 10.4582 k = 0.3532 0.6112-0.0453 ( 6289 PWs) bands (ev): -12.0435 -12.0435 -12.0106 -12.0106 -11.5147 -11.5147 -11.2263 -11.2263 -11.1850 -11.1850 -10.9890 -10.9890 -2.6188 -2.6188 -2.5283 -2.5283 -1.5374 -1.5374 -1.2634 -1.2634 -1.0511 -1.0511 -0.5387 -0.5387 -0.3752 -0.3752 -0.0914 -0.0914 0.1422 0.1422 0.5127 0.5127 0.9915 0.9915 1.1862 1.1862 1.2992 1.2992 1.4303 1.4303 1.4557 1.4557 1.6623 1.6623 1.8405 1.8405 1.8746 1.8746 7.8645 7.8645 7.9553 7.9553 9.7628 9.7628 10.0673 10.0673 10.4220 10.4220 k = 0.3560 0.6161-0.0282 ( 6283 PWs) bands (ev): -12.0443 -12.0443 -12.0039 -12.0039 -11.5123 -11.5123 -11.2350 -11.2350 -11.1862 -11.1862 -10.9897 -10.9897 -2.6280 -2.6280 -2.5228 -2.5228 -1.5339 -1.5339 -1.2537 -1.2537 -1.0505 -1.0505 -0.5432 -0.5432 -0.3468 -0.3468 -0.0932 -0.0932 0.1467 0.1467 0.5144 0.5144 0.9862 0.9862 1.1655 1.1655 1.2994 1.2994 1.4347 1.4347 1.4486 1.4486 1.6595 1.6595 1.8362 1.8362 1.8714 1.8714 7.8675 7.8675 7.9464 7.9464 9.7960 9.7960 10.0782 10.0782 10.3925 10.3925 k = 0.3588 0.6209-0.0112 ( 6285 PWs) bands (ev): -12.0450 -12.0450 -11.9970 -11.9970 -11.5098 -11.5098 -11.2434 -11.2434 -11.1877 -11.1877 -10.9906 -10.9906 -2.6374 -2.6374 -2.5167 -2.5167 -1.5298 -1.5298 -1.2456 -1.2456 -1.0512 -1.0512 -0.5472 -0.5472 -0.3187 -0.3187 -0.0957 -0.0957 0.1520 0.1520 0.5198 0.5198 0.9807 0.9807 1.1455 1.1455 1.2991 1.2991 1.4321 1.4321 1.4452 1.4452 1.6570 1.6570 1.8323 1.8323 1.8698 1.8698 7.8699 7.8699 7.9371 7.9371 9.8291 9.8291 10.0841 10.0841 10.3715 10.3715 k = 0.3616 0.6258 0.0059 ( 6279 PWs) bands (ev): -12.0458 -12.0458 -11.9900 -11.9900 -11.5073 -11.5073 -11.2517 -11.2517 -11.1893 -11.1893 -10.9916 -10.9916 -2.6469 -2.6469 -2.5101 -2.5101 -1.5252 -1.5252 -1.2390 -1.2390 -1.0528 -1.0528 -0.5507 -0.5507 -0.2913 -0.2913 -0.0985 -0.0985 0.1583 0.1583 0.5287 0.5287 0.9751 0.9751 1.1264 1.1264 1.2981 1.2981 1.4199 1.4199 1.4477 1.4477 1.6548 1.6548 1.8291 1.8291 1.8696 1.8696 7.8715 7.8715 7.9279 7.9279 9.8615 9.8615 10.0836 10.0836 10.3606 10.3606 k = 0.3645 0.6307 0.0230 ( 6281 PWs) bands (ev): -12.0467 -12.0467 -11.9829 -11.9829 -11.5048 -11.5048 -11.2597 -11.2597 -11.1910 -11.1910 -10.9928 -10.9928 -2.6567 -2.6567 -2.5029 -2.5029 -1.5203 -1.5203 -1.2340 -1.2340 -1.0554 -1.0554 -0.5538 -0.5538 -0.2652 -0.2652 -0.1015 -0.1015 0.1656 0.1656 0.5409 0.5409 0.9696 0.9696 1.1084 1.1084 1.2966 1.2966 1.4036 1.4036 1.4508 1.4508 1.6530 1.6530 1.8271 1.8271 1.8705 1.8705 7.8723 7.8723 7.9188 7.9188 9.8927 9.8927 10.0762 10.0762 10.3599 10.3599 k = 0.3673 0.6356 0.0400 ( 6273 PWs) bands (ev): -12.0478 -12.0478 -11.9758 -11.9758 -11.5022 -11.5022 -11.2673 -11.2673 -11.1928 -11.1928 -10.9940 -10.9940 -2.6667 -2.6667 -2.4951 -2.4951 -1.5155 -1.5155 -1.2306 -1.2306 -1.0587 -1.0587 -0.5563 -0.5563 -0.2408 -0.2408 -0.1043 -0.1043 0.1740 0.1740 0.5562 0.5562 0.9642 0.9642 1.0916 1.0916 1.2944 1.2944 1.3844 1.3844 1.4535 1.4535 1.6518 1.6518 1.8262 1.8262 1.8724 1.8724 7.8723 7.8723 7.9104 7.9104 9.9223 9.9223 10.0628 10.0628 10.3681 10.3681 k = 0.3701 0.6404 0.0571 ( 6278 PWs) bands (ev): -12.0491 -12.0491 -11.9688 -11.9688 -11.4996 -11.4996 -11.2744 -11.2744 -11.1945 -11.1945 -10.9954 -10.9954 -2.6769 -2.6769 -2.4867 -2.4867 -1.5109 -1.5109 -1.2286 -1.2286 -1.0626 -1.0626 -0.5581 -0.5581 -0.2188 -0.2188 -0.1068 -0.1068 0.1836 0.1836 0.5740 0.5740 0.9592 0.9592 1.0761 1.0761 1.2909 1.2909 1.3634 1.3634 1.4557 1.4557 1.6510 1.6510 1.8265 1.8265 1.8752 1.8752 7.8714 7.8714 7.9026 7.9026 9.9498 9.9498 10.0454 10.0454 10.3830 10.3830 k = 0.3729 0.6453 0.0742 ( 6274 PWs) bands (ev): -12.0506 -12.0506 -11.9619 -11.9619 -11.4970 -11.4970 -11.2811 -11.2811 -11.1962 -11.1962 -10.9969 -10.9969 -2.6874 -2.6874 -2.4778 -2.4778 -1.5069 -1.5069 -1.2280 -1.2280 -1.0673 -1.0673 -0.5589 -0.5589 -0.1996 -0.1996 -0.1087 -0.1087 0.1943 0.1943 0.5942 0.5942 0.9547 0.9547 1.0619 1.0619 1.2848 1.2848 1.3426 1.3426 1.4574 1.4574 1.6507 1.6507 1.8277 1.8277 1.8788 1.8788 7.8696 7.8696 7.8959 7.8959 9.9750 9.9750 10.0255 10.0255 10.4025 10.4025 k = 0.3757 0.6502 0.0912 ( 6267 PWs) bands (ev): -12.0525 -12.0525 -11.9550 -11.9550 -11.4944 -11.4944 -11.2871 -11.2871 -11.1977 -11.1977 -10.9984 -10.9984 -2.6980 -2.6980 -2.4683 -2.4683 -1.5036 -1.5036 -1.2287 -1.2287 -1.0727 -1.0727 -0.5587 -0.5587 -0.1834 -0.1834 -0.1098 -0.1098 0.2059 0.2059 0.6162 0.6162 0.9510 0.9510 1.0491 1.0491 1.2730 1.2730 1.3256 1.3256 1.4587 1.4587 1.6506 1.6506 1.8298 1.8298 1.8831 1.8831 7.8669 7.8669 7.8904 7.8904 9.9965 9.9965 10.0053 10.0053 10.4249 10.4249 k = 0.3785 0.6550 0.1083 ( 6262 PWs) bands (ev): -12.0547 -12.0547 -11.9484 -11.9484 -11.4917 -11.4917 -11.2925 -11.2925 -11.1992 -11.1992 -10.9999 -10.9999 -2.7089 -2.7089 -2.4584 -2.4584 -1.5012 -1.5012 -1.2304 -1.2304 -1.0787 -1.0787 -0.5571 -0.5571 -0.1706 -0.1706 -0.1099 -0.1099 0.2181 0.2181 0.6397 0.6397 0.9484 0.9484 1.0377 1.0377 1.2530 1.2530 1.3153 1.3153 1.4596 1.4596 1.6507 1.6507 1.8326 1.8326 1.8880 1.8880 7.8634 7.8634 7.8862 7.8862 9.9825 9.9825 10.0172 10.0172 10.4491 10.4491 k = 0.3814 0.6599 0.1254 ( 6263 PWs) bands (ev): -12.0574 -12.0574 -11.9421 -11.9421 -11.4891 -11.4891 -11.2972 -11.2972 -11.2005 -11.2005 -11.0014 -11.0014 -2.7199 -2.7199 -2.4480 -2.4480 -1.4998 -1.4998 -1.2331 -1.2331 -1.0856 -1.0856 -0.5540 -0.5540 -0.1610 -0.1610 -0.1092 -0.1092 0.2304 0.2304 0.6644 0.6644 0.9474 0.9474 1.0277 1.0277 1.2270 1.2270 1.3104 1.3104 1.4603 1.4603 1.6507 1.6507 1.8358 1.8358 1.8934 1.8934 7.8590 7.8590 7.8834 7.8834 9.9609 9.9609 10.0331 10.0331 10.4288 10.4288 k = 0.3842 0.6648 0.1424 ( 6261 PWs) bands (ev): -12.0605 -12.0605 -11.9361 -11.9361 -11.4864 -11.4864 -11.3012 -11.3012 -11.2016 -11.2016 -11.0028 -11.0028 -2.7311 -2.7311 -2.4372 -2.4372 -1.4997 -1.4997 -1.2366 -1.2366 -1.0932 -1.0932 -0.5493 -0.5493 -0.1545 -0.1545 -0.1075 -0.1075 0.2421 0.2421 0.6898 0.6898 0.9483 0.9483 1.0190 1.0190 1.1980 1.1980 1.3083 1.3083 1.4609 1.4609 1.6506 1.6506 1.8393 1.8393 1.8994 1.8994 7.8538 7.8538 7.8822 7.8822 9.9393 9.9393 10.0454 10.0454 10.4079 10.4079 k = 0.3870 0.6697 0.1595 ( 6267 PWs) bands (ev): -12.0641 -12.0641 -11.9304 -11.9304 -11.4836 -11.4836 -11.3043 -11.3043 -11.2025 -11.2025 -11.0041 -11.0041 -2.7425 -2.7425 -2.4262 -2.4262 -1.5008 -1.5008 -1.2406 -1.2406 -1.1016 -1.1016 -0.5431 -0.5431 -0.1509 -0.1509 -0.1051 -0.1051 0.2527 0.2527 0.7158 0.7158 0.9513 0.9513 1.0116 1.0116 1.1677 1.1677 1.3078 1.3078 1.4613 1.4613 1.6503 1.6503 1.8429 1.8429 1.9059 1.9059 7.8477 7.8477 7.8826 7.8826 9.9178 9.9178 10.0537 10.0537 10.3915 10.3915 k = 0.3898 0.6745 0.1766 ( 6277 PWs) bands (ev): -12.0682 -12.0682 -11.9251 -11.9251 -11.4808 -11.4808 -11.3067 -11.3067 -11.2032 -11.2032 -11.0053 -11.0053 -2.7540 -2.7540 -2.4150 -2.4150 -1.5033 -1.5033 -1.2450 -1.2450 -1.1107 -1.1107 -0.5355 -0.5355 -0.1499 -0.1499 -0.1018 -0.1018 0.2617 0.2617 0.7420 0.7420 0.9566 0.9566 1.0055 1.0055 1.1373 1.1373 1.3082 1.3082 1.4617 1.4617 1.6499 1.6499 1.8466 1.8466 1.9129 1.9129 7.8409 7.8409 7.8848 7.8848 9.8964 9.8964 10.0580 10.0580 10.3797 10.3797 k = 0.3898 0.6745 0.1766 ( 6277 PWs) bands (ev): -12.0682 -12.0682 -11.9251 -11.9251 -11.4808 -11.4808 -11.3067 -11.3067 -11.2032 -11.2032 -11.0053 -11.0053 -2.7540 -2.7540 -2.4150 -2.4150 -1.5033 -1.5033 -1.2450 -1.2450 -1.1107 -1.1107 -0.5355 -0.5355 -0.1499 -0.1499 -0.1018 -0.1018 0.2617 0.2617 0.7420 0.7420 0.9566 0.9566 1.0055 1.0055 1.1373 1.1373 1.3082 1.3082 1.4617 1.4617 1.6499 1.6499 1.8466 1.8466 1.9129 1.9129 7.8409 7.8409 7.8848 7.8848 9.8964 9.8964 10.0580 10.0580 10.3797 10.3797 k = 0.3847 0.6657 0.1916 ( 6278 PWs) bands (ev): -12.0607 -12.0607 -11.9307 -11.9307 -11.4846 -11.4846 -11.3022 -11.3022 -11.2057 -11.2057 -11.0059 -11.0059 -2.7418 -2.7418 -2.4313 -2.4313 -1.4858 -1.4858 -1.2681 -1.2681 -1.1355 -1.1355 -0.5080 -0.5080 -0.1394 -0.1394 -0.1151 -0.1151 0.2403 0.2403 0.7741 0.7741 0.9641 0.9641 1.0109 1.0109 1.1234 1.1234 1.3122 1.3122 1.4597 1.4597 1.6586 1.6586 1.8604 1.8604 1.9196 1.9196 7.8370 7.8370 7.8545 7.8545 9.8610 9.8610 10.0360 10.0360 10.3623 10.3623 k = 0.3796 0.6568 0.2065 ( 6281 PWs) bands (ev): -12.0534 -12.0534 -11.9367 -11.9367 -11.4885 -11.4885 -11.2970 -11.2970 -11.2084 -11.2084 -11.0062 -11.0062 -2.7295 -2.7295 -2.4478 -2.4478 -1.4695 -1.4695 -1.2916 -1.2916 -1.1590 -1.1590 -0.4794 -0.4794 -0.1535 -0.1535 -0.1051 -0.1051 0.2183 0.2183 0.8049 0.8049 0.9697 0.9697 1.0187 1.0187 1.1108 1.1108 1.3161 1.3161 1.4590 1.4590 1.6686 1.6686 1.8733 1.8733 1.9267 1.9267 7.8233 7.8233 7.8344 7.8344 9.8259 9.8259 10.0060 10.0060 10.3536 10.3536 k = 0.3744 0.6480 0.2215 ( 6281 PWs) bands (ev): -12.0462 -12.0462 -11.9430 -11.9430 -11.4923 -11.4923 -11.2910 -11.2910 -11.2114 -11.2114 -11.0064 -11.0064 -2.7171 -2.7171 -2.4645 -2.4645 -1.4550 -1.4550 -1.3152 -1.3152 -1.1805 -1.1805 -0.4497 -0.4497 -0.1729 -0.1729 -0.0910 -0.0910 0.1957 0.1957 0.8330 0.8330 0.9750 0.9750 1.0271 1.0271 1.1006 1.1006 1.3198 1.3198 1.4596 1.4596 1.6797 1.6797 1.8853 1.8853 1.9341 1.9341 7.7964 7.7964 7.8283 7.8283 9.7915 9.7915 9.9695 9.9695 10.3523 10.3523 k = 0.3693 0.6391 0.2365 ( 6282 PWs) bands (ev): -12.0391 -12.0391 -11.9498 -11.9498 -11.4960 -11.4960 -11.2844 -11.2844 -11.2146 -11.2146 -11.0063 -11.0063 -2.7044 -2.7044 -2.4814 -2.4814 -1.4429 -1.4429 -1.3389 -1.3389 -1.1990 -1.1990 -0.4193 -0.4193 -0.1919 -0.1919 -0.0792 -0.0792 0.1731 0.1731 0.8566 0.8566 0.9808 0.9808 1.0348 1.0348 1.0944 1.0944 1.3232 1.3232 1.4618 1.4618 1.6917 1.6917 1.8964 1.8964 1.9417 1.9417 7.7706 7.7706 7.8223 7.8223 9.7581 9.7581 9.9287 9.9287 10.3567 10.3567 k = 0.3642 0.6302 0.2515 ( 6288 PWs) bands (ev): -12.0321 -12.0321 -11.9569 -11.9569 -11.4996 -11.4996 -11.2772 -11.2772 -11.2182 -11.2182 -11.0059 -11.0059 -2.6914 -2.6914 -2.4983 -2.4983 -1.4343 -1.4343 -1.3623 -1.3623 -1.2136 -1.2136 -0.3882 -0.3882 -0.2095 -0.2095 -0.0706 -0.0706 0.1512 0.1512 0.8736 0.8736 0.9872 0.9872 1.0420 1.0420 1.0932 1.0932 1.3263 1.3263 1.4654 1.4654 1.7043 1.7043 1.9065 1.9065 1.9492 1.9492 7.7468 7.7468 7.8160 7.8160 9.7260 9.7260 9.8856 9.8856 10.3643 10.3643 k = 0.3591 0.6214 0.2664 ( 6283 PWs) bands (ev): -12.0252 -12.0252 -11.9644 -11.9644 -11.5030 -11.5030 -11.2693 -11.2693 -11.2222 -11.2222 -11.0052 -11.0052 -2.6779 -2.6779 -2.5153 -2.5153 -1.4303 -1.4303 -1.3852 -1.3852 -1.2231 -1.2231 -0.3570 -0.3570 -0.2252 -0.2252 -0.0665 -0.0665 0.1309 0.1309 0.8825 0.8825 0.9941 0.9941 1.0493 1.0493 1.0979 1.0979 1.3291 1.3291 1.4704 1.4704 1.7171 1.7171 1.9157 1.9157 1.9567 1.9567 7.7251 7.7251 7.8096 7.8096 9.6956 9.6956 9.8420 9.8420 10.3729 10.3729 k = 0.3540 0.6125 0.2814 ( 6286 PWs) bands (ev): -12.0183 -12.0183 -11.9722 -11.9722 -11.5063 -11.5063 -11.2610 -11.2610 -11.2266 -11.2266 -11.0043 -11.0043 -2.6640 -2.6640 -2.5322 -2.5322 -1.4323 -1.4323 -1.4064 -1.4064 -1.2270 -1.2270 -0.3273 -0.3273 -0.2375 -0.2375 -0.0678 -0.0678 0.1136 0.1136 0.8829 0.8829 1.0011 1.0011 1.0570 1.0570 1.1080 1.1080 1.3316 1.3316 1.4767 1.4767 1.7299 1.7299 1.9240 1.9240 1.9638 1.9638 7.7059 7.7059 7.8033 7.8033 9.6673 9.6673 9.7992 9.7992 10.3789 10.3789 k = 0.3488 0.6037 0.2964 ( 6287 PWs) bands (ev): -12.0114 -12.0114 -11.9803 -11.9803 -11.5094 -11.5094 -11.2521 -11.2521 -11.2315 -11.2315 -11.0030 -11.0030 -2.6496 -2.6496 -2.5490 -2.5490 -1.4426 -1.4426 -1.4234 -1.4234 -1.2252 -1.2252 -0.3038 -0.3038 -0.2419 -0.2419 -0.0756 -0.0756 0.1003 0.1003 0.8766 0.8766 1.0076 1.0076 1.0646 1.0646 1.1229 1.1229 1.3339 1.3339 1.4841 1.4841 1.7423 1.7423 1.9315 1.9315 1.9705 1.9705 7.6891 7.6891 7.7973 7.7973 9.6414 9.6414 9.7584 9.7584 10.3779 10.3779 k = 0.3437 0.5948 0.3114 ( 6289 PWs) bands (ev): -12.0045 -12.0045 -11.9888 -11.9888 -11.5122 -11.5122 -11.2429 -11.2429 -11.2368 -11.2368 -11.0015 -11.0015 -2.6345 -2.6345 -2.5656 -2.5656 -1.4606 -1.4606 -1.4358 -1.4358 -1.2187 -1.2187 -0.2962 -0.2962 -0.2287 -0.2287 -0.0901 -0.0901 0.0915 0.0915 0.8654 0.8654 1.0133 1.0133 1.0718 1.0718 1.1409 1.1409 1.3358 1.3358 1.4922 1.4922 1.7540 1.7540 1.9380 1.9380 1.9766 1.9766 7.6749 7.6749 7.7918 7.7918 9.6182 9.6182 9.7203 9.7203 10.3686 10.3686 k = 0.3386 0.5859 0.3264 ( 6288 PWs) bands (ev): -11.9977 -11.9977 -11.9973 -11.9973 -11.5148 -11.5148 -11.2427 -11.2427 -11.2333 -11.2333 -10.9998 -10.9998 -2.6188 -2.6188 -2.5821 -2.5821 -1.4808 -1.4808 -1.4474 -1.4474 -1.2085 -1.2085 -0.3015 -0.3015 -0.2015 -0.2015 -0.1105 -0.1105 0.0867 0.0867 0.8512 0.8512 1.0176 1.0176 1.0786 1.0786 1.1604 1.1604 1.3375 1.3375 1.5010 1.5010 1.7648 1.7648 1.9438 1.9438 1.9822 1.9822 7.6634 7.6634 7.7871 7.7871 9.5981 9.5981 9.6859 9.6859 10.3549 10.3549 k = 0.3335 0.5771 0.3413 ( 6286 PWs) bands (ev): -12.0067 -12.0067 -11.9903 -11.9903 -11.5171 -11.5171 -11.2489 -11.2489 -11.2234 -11.2234 -10.9979 -10.9979 -2.6029 -2.6029 -2.5978 -2.5978 -1.5011 -1.5011 -1.4594 -1.4594 -1.1957 -1.1957 -0.3105 -0.3105 -0.1707 -0.1707 -0.1343 -0.1343 0.0847 0.0847 0.8354 0.8354 1.0206 1.0206 1.0853 1.0853 1.1798 1.1798 1.3390 1.3390 1.5102 1.5102 1.7743 1.7743 1.9486 1.9486 1.9870 1.9870 7.6546 7.6546 7.7833 7.7833 9.5815 9.5815 9.6556 9.6556 10.3406 10.3406 k = 0.3284 0.5682 0.3563 ( 6284 PWs) bands (ev): -12.0161 -12.0161 -11.9831 -11.9831 -11.5190 -11.5190 -11.2555 -11.2555 -11.2133 -11.2133 -10.9958 -10.9958 -2.6145 -2.6145 -2.5851 -2.5851 -1.5209 -1.5209 -1.4712 -1.4712 -1.1811 -1.1811 -0.3200 -0.3200 -0.1682 -0.1682 -0.1319 -0.1319 0.0844 0.0844 0.8188 0.8188 1.0222 1.0222 1.0917 1.0917 1.1982 1.1982 1.3402 1.3402 1.5196 1.5196 1.7823 1.7823 1.9526 1.9526 1.9910 1.9910 7.6486 7.6486 7.7806 7.7806 9.5686 9.5686 9.6299 9.6299 10.3276 10.3276 k = 0.3232 0.5594 0.3713 ( 6292 PWs) bands (ev): -12.0259 -12.0259 -11.9757 -11.9757 -11.5207 -11.5207 -11.2624 -11.2624 -11.2031 -11.2031 -10.9936 -10.9936 -2.6302 -2.6302 -2.5674 -2.5674 -1.5398 -1.5398 -1.4824 -1.4824 -1.1654 -1.1654 -0.3294 -0.3294 -0.1978 -0.1978 -0.0995 -0.0995 0.0851 0.0851 0.8022 0.8022 1.0226 1.0226 1.0978 1.0978 1.2148 1.2148 1.3412 1.3412 1.5289 1.5289 1.7887 1.7887 1.9558 1.9558 1.9942 1.9942 7.6454 7.6454 7.7793 7.7793 9.5598 9.5598 9.6094 9.6094 10.3167 10.3167 k = 0.3181 0.5505 0.3863 ( 6301 PWs) bands (ev): -12.0360 -12.0360 -11.9680 -11.9680 -11.5219 -11.5219 -11.2696 -11.2696 -11.1928 -11.1928 -10.9914 -10.9914 -2.6457 -2.6457 -2.5490 -2.5490 -1.5578 -1.5578 -1.4926 -1.4926 -1.1488 -1.1488 -0.3382 -0.3382 -0.2303 -0.2303 -0.0660 -0.0660 0.0861 0.0861 0.7862 0.7862 1.0220 1.0220 1.1033 1.1033 1.2292 1.2292 1.3421 1.3421 1.5382 1.5382 1.7932 1.7932 1.9581 1.9581 1.9965 1.9965 7.6450 7.6450 7.7794 7.7794 9.5553 9.5553 9.5941 9.5941 10.3084 10.3084 k = 0.3130 0.5416 0.4012 ( 6297 PWs) bands (ev): -12.0464 -12.0464 -11.9601 -11.9601 -11.5228 -11.5228 -11.2769 -11.2769 -11.1824 -11.1824 -10.9892 -10.9892 -2.6609 -2.6609 -2.5299 -2.5299 -1.5747 -1.5747 -1.5015 -1.5015 -1.1317 -1.1317 -0.3465 -0.3465 -0.2642 -0.2642 -0.0332 -0.0332 0.0871 0.0871 0.7714 0.7714 1.0205 1.0205 1.1081 1.1081 1.2407 1.2407 1.3431 1.3431 1.5471 1.5471 1.7957 1.7957 1.9595 1.9595 1.9978 1.9978 7.6473 7.6473 7.7811 7.7811 9.5552 9.5552 9.5845 9.5845 10.3026 10.3026 k = 0.3079 0.5328 0.4162 ( 6293 PWs) bands (ev): -12.0573 -12.0573 -11.9520 -11.9520 -11.5233 -11.5233 -11.2844 -11.2844 -11.1721 -11.1721 -10.9870 -10.9870 -2.6758 -2.6758 -2.5103 -2.5103 -1.5905 -1.5905 -1.5089 -1.5089 -1.1142 -1.1142 -0.3544 -0.3544 -0.2988 -0.2988 -0.0015 -0.0015 0.0880 0.0880 0.7583 0.7583 1.0181 1.0181 1.1119 1.1119 1.2492 1.2492 1.3442 1.3442 1.5557 1.5557 1.7963 1.7963 1.9601 1.9601 1.9983 1.9983 7.6523 7.6523 7.7844 7.7844 9.5599 9.5599 9.5804 9.5804 10.2992 10.2992 k = 0.3028 0.5239 0.4312 ( 6297 PWs) bands (ev): -12.0685 -12.0685 -11.9435 -11.9435 -11.5234 -11.5234 -11.2920 -11.2920 -11.1619 -11.1619 -10.9850 -10.9850 -2.6904 -2.6904 -2.4903 -2.4903 -1.6051 -1.6051 -1.5146 -1.5146 -1.0964 -1.0964 -0.3624 -0.3624 -0.3333 -0.3333 0.0285 0.0285 0.0889 0.0889 0.7473 0.7473 1.0149 1.0149 1.1150 1.1150 1.2543 1.2543 1.3455 1.3455 1.5639 1.5639 1.7948 1.7948 1.9599 1.9599 1.9977 1.9977 7.6599 7.6599 7.7896 7.7896 9.5691 9.5691 9.5821 9.5821 10.2981 10.2981 k = 0.2976 0.5151 0.4462 ( 6289 PWs) bands (ev): -12.0800 -12.0800 -11.9347 -11.9347 -11.5231 -11.5231 -11.2995 -11.2995 -11.1518 -11.1518 -10.9831 -10.9831 -2.7048 -2.7048 -2.4698 -2.4698 -1.6184 -1.6184 -1.5187 -1.5187 -1.0786 -1.0786 -0.3763 -0.3763 -0.3617 -0.3617 0.0557 0.0557 0.0904 0.0904 0.7389 0.7389 1.0106 1.0106 1.1173 1.1173 1.2558 1.2558 1.3472 1.3472 1.5716 1.5716 1.7913 1.7913 1.9589 1.9589 1.9962 1.9962 7.6700 7.6700 7.7965 7.7965 9.5827 9.5827 9.5897 9.5897 10.2990 10.2990 k = 0.2925 0.5062 0.4612 ( 6289 PWs) bands (ev): -12.0920 -12.0920 -11.9255 -11.9255 -11.5223 -11.5223 -11.3070 -11.3070 -11.1419 -11.1419 -10.9813 -10.9813 -2.7190 -2.7190 -2.4491 -2.4491 -1.6305 -1.6305 -1.5210 -1.5210 -1.0607 -1.0607 -0.4083 -0.4083 -0.3717 -0.3717 0.0756 0.0756 0.0967 0.0967 0.7336 0.7336 1.0050 1.0050 1.1190 1.1190 1.2539 1.2539 1.3491 1.3491 1.5787 1.5787 1.7860 1.7860 1.9571 1.9571 1.9939 1.9939 7.6824 7.6824 7.8053 7.8053 9.5984 9.5984 9.6051 9.6051 10.3017 10.3017 k = 0.2874 0.4974 0.4761 ( 6297 PWs) bands (ev): -12.1044 -12.1044 -11.9160 -11.9160 -11.5212 -11.5212 -11.3143 -11.3143 -11.1323 -11.1323 -10.9798 -10.9798 -2.7330 -2.7330 -2.4282 -2.4282 -1.6413 -1.6413 -1.5216 -1.5216 -1.0429 -1.0429 -0.4436 -0.4436 -0.3779 -0.3779 0.0815 0.0815 0.1146 0.1146 0.7315 0.7315 0.9979 0.9979 1.1206 1.1206 1.2488 1.2488 1.3508 1.3508 1.5852 1.5852 1.7790 1.7790 1.9545 1.9545 1.9906 1.9906 7.6971 7.6971 7.8160 7.8160 9.6158 9.6158 9.6283 9.6283 10.3059 10.3059 k = 0.2823 0.4885 0.4911 ( 6297 PWs) bands (ev): -12.1172 -12.1172 -11.9061 -11.9061 -11.5196 -11.5196 -11.3214 -11.3214 -11.1229 -11.1229 -10.9785 -10.9785 -2.7468 -2.7468 -2.4074 -2.4074 -1.6509 -1.6509 -1.5205 -1.5205 -1.0254 -1.0254 -0.4792 -0.4792 -0.3832 -0.3832 0.0818 0.0818 0.1354 0.1354 0.7330 0.7330 0.9889 0.9889 1.1223 1.1223 1.2410 1.2410 1.3520 1.3520 1.5910 1.5910 1.7707 1.7707 1.9513 1.9513 1.9866 1.9866 7.7138 7.7138 7.8285 7.8285 9.6364 9.6364 9.6568 9.6568 10.3116 10.3116 k = 0.2772 0.4796 0.5061 ( 6290 PWs) bands (ev): -12.1305 -12.1305 -11.8958 -11.8958 -11.5175 -11.5175 -11.3282 -11.3282 -11.1139 -11.1139 -10.9775 -10.9775 -2.7605 -2.7605 -2.3867 -2.3867 -1.6591 -1.6591 -1.5176 -1.5176 -1.0083 -1.0083 -0.5147 -0.5147 -0.3877 -0.3877 0.0807 0.0807 0.1550 0.1550 0.7380 0.7380 0.9778 0.9778 1.1246 1.1246 1.2307 1.2307 1.3523 1.3523 1.5961 1.5961 1.7614 1.7614 1.9474 1.9474 1.9819 1.9819 7.7324 7.7324 7.8428 7.8428 9.6600 9.6600 9.6901 9.6901 10.3189 10.3189 k = 0.2772 0.4796 0.5061 ( 6290 PWs) bands (ev): -12.1305 -12.1305 -11.8958 -11.8958 -11.5175 -11.5175 -11.3282 -11.3282 -11.1139 -11.1139 -10.9775 -10.9775 -2.7605 -2.7605 -2.3867 -2.3867 -1.6591 -1.6591 -1.5176 -1.5176 -1.0083 -1.0083 -0.5147 -0.5147 -0.3877 -0.3877 0.0807 0.0807 0.1550 0.1550 0.7380 0.7380 0.9778 0.9778 1.1246 1.1246 1.2307 1.2307 1.3523 1.3523 1.5961 1.5961 1.7614 1.7614 1.9474 1.9474 1.9819 1.9819 7.7324 7.7324 7.8428 7.8428 9.6600 9.6600 9.6901 9.6901 10.3189 10.3189 k = 0.2679 0.4636 0.5061 ( 6286 PWs) bands (ev): -12.1534 -12.1534 -11.8710 -11.8710 -11.5125 -11.5125 -11.3418 -11.3418 -11.1048 -11.1048 -10.9771 -10.9771 -2.7962 -2.7962 -2.3550 -2.3550 -1.6732 -1.6732 -1.5247 -1.5247 -0.9525 -0.9525 -0.5407 -0.5407 -0.4050 -0.4050 0.0772 0.0772 0.2071 0.2071 0.7319 0.7319 0.9563 0.9563 1.1202 1.1202 1.2293 1.2293 1.3358 1.3358 1.5964 1.5964 1.7564 1.7564 1.9420 1.9420 1.9779 1.9779 7.7394 7.7394 7.8684 7.8684 9.6782 9.6782 9.7357 9.7357 10.3640 10.3640 k = 0.2587 0.4477 0.5061 ( 6288 PWs) bands (ev): -12.1767 -12.1767 -11.8458 -11.8458 -11.5067 -11.5067 -11.3556 -11.3556 -11.0959 -11.0959 -10.9768 -10.9768 -2.8317 -2.8317 -2.3245 -2.3245 -1.6862 -1.6862 -1.5307 -1.5307 -0.8981 -0.8981 -0.5686 -0.5686 -0.4183 -0.4183 0.0722 0.0722 0.2610 0.2610 0.7270 0.7270 0.9312 0.9312 1.1187 1.1187 1.2255 1.2255 1.3179 1.3179 1.5965 1.5965 1.7516 1.7516 1.9347 1.9347 1.9749 1.9749 7.7480 7.7480 7.8958 7.8958 9.7008 9.7008 9.7858 9.7858 10.4076 10.4076 k = 0.2495 0.4317 0.5061 ( 6294 PWs) bands (ev): -12.2003 -12.2003 -11.8202 -11.8202 -11.5003 -11.5003 -11.3694 -11.3694 -11.0870 -11.0870 -10.9765 -10.9765 -2.8670 -2.8670 -2.2953 -2.2953 -1.6981 -1.6981 -1.5355 -1.5355 -0.8474 -0.8474 -0.5986 -0.5986 -0.4254 -0.4254 0.0658 0.0658 0.3157 0.3157 0.7236 0.7236 0.9026 0.9026 1.1202 1.1202 1.2185 1.2185 1.2997 1.2997 1.5967 1.5967 1.7472 1.7472 1.9254 1.9254 1.9730 1.9730 7.7579 7.7579 7.9250 7.9250 9.7276 9.7276 9.8400 9.8400 10.4478 10.4478 k = 0.2402 0.4157 0.5061 ( 6279 PWs) bands (ev): -12.2240 -12.2240 -11.7943 -11.7943 -11.4935 -11.4935 -11.3831 -11.3831 -11.0782 -11.0782 -10.9763 -10.9763 -2.9020 -2.9020 -2.2674 -2.2674 -1.7086 -1.7086 -1.5392 -1.5392 -0.8036 -0.8036 -0.6307 -0.6307 -0.4235 -0.4235 0.0580 0.0580 0.3702 0.3702 0.7222 0.7222 0.8711 0.8711 1.1248 1.1248 1.2070 1.2070 1.2829 1.2829 1.5971 1.5971 1.7432 1.7432 1.9137 1.9137 1.9725 1.9725 7.7684 7.7684 7.9559 7.9559 9.7581 9.7581 9.8976 9.8976 10.4824 10.4824 k = 0.2310 0.3997 0.5061 ( 6281 PWs) bands (ev): -12.2476 -12.2476 -11.7681 -11.7681 -11.4864 -11.4864 -11.3966 -11.3966 -11.0696 -11.0696 -10.9762 -10.9762 -2.9365 -2.9365 -2.2406 -2.2406 -1.7179 -1.7179 -1.5416 -1.5416 -0.7702 -0.7702 -0.6647 -0.6647 -0.4093 -0.4093 0.0488 0.0488 0.4233 0.4233 0.7235 0.7235 0.8379 0.8379 1.1318 1.1318 1.1896 1.1896 1.2690 1.2690 1.5975 1.5975 1.7398 1.7398 1.8999 1.8999 1.9729 1.9729 7.7792 7.7792 7.9883 7.9883 9.7917 9.7917 9.9583 9.9583 10.5093 10.5093 k = 0.2217 0.3837 0.5061 ( 6273 PWs) bands (ev): -12.2711 -12.2711 -11.7416 -11.7416 -11.4795 -11.4795 -11.4095 -11.4095 -11.0612 -11.0612 -10.9761 -10.9761 -2.9704 -2.9704 -2.2149 -2.2149 -1.7258 -1.7258 -1.5429 -1.5429 -0.7496 -0.7496 -0.7004 -0.7004 -0.3806 -0.3806 0.0378 0.0378 0.4728 0.4728 0.7291 0.7291 0.8041 0.8041 1.1402 1.1402 1.1670 1.1670 1.2587 1.2587 1.5982 1.5982 1.7370 1.7370 1.8843 1.8843 1.9742 1.9742 7.7898 7.7898 8.0222 8.0222 9.8276 9.8276 10.0216 10.0216 10.5273 10.5273 k = 0.2125 0.3677 0.5061 ( 6276 PWs) bands (ev): -12.2943 -12.2943 -11.7151 -11.7151 -11.4732 -11.4732 -11.4213 -11.4213 -11.0530 -11.0530 -10.9761 -10.9761 -3.0037 -3.0037 -2.1903 -2.1903 -1.7322 -1.7322 -1.5429 -1.5429 -0.7440 -0.7440 -0.7351 -0.7351 -0.3382 -0.3382 0.0244 0.0244 0.5157 0.5157 0.7399 0.7399 0.7724 0.7724 1.1341 1.1341 1.1557 1.1557 1.2512 1.2512 1.5992 1.5992 1.7351 1.7351 1.8671 1.8671 1.9759 1.9759 7.7998 7.7998 8.0571 8.0571 9.8645 9.8645 10.0868 10.0868 10.5365 10.5365 k = 0.2033 0.3517 0.5061 ( 6275 PWs) bands (ev): -12.3172 -12.3172 -11.6886 -11.6886 -11.4694 -11.4694 -11.4302 -11.4302 -11.0452 -11.0452 -10.9762 -10.9762 -3.0363 -3.0363 -2.1665 -2.1665 -1.7372 -1.7372 -1.5418 -1.5418 -0.7776 -0.7776 -0.7415 -0.7415 -0.2851 -0.2851 0.0082 0.0082 0.5487 0.5487 0.7343 0.7343 0.7684 0.7684 1.1041 1.1041 1.1661 1.1661 1.2456 1.2456 1.6006 1.6006 1.7341 1.7341 1.8488 1.8488 1.9780 1.9780 7.8089 7.8089 8.0928 8.0928 9.9009 9.9009 10.1533 10.1533 10.5383 10.5383 k = 0.1940 0.3357 0.5061 ( 6276 PWs) bands (ev): -12.3396 -12.3396 -11.6620 -11.6620 -11.4710 -11.4710 -11.4332 -11.4332 -11.0377 -11.0377 -10.9764 -10.9764 -3.0681 -3.0681 -2.1436 -2.1436 -1.7406 -1.7406 -1.5396 -1.5396 -0.8172 -0.8172 -0.7493 -0.7493 -0.2248 -0.2248 -0.0116 -0.0116 0.5700 0.5700 0.7074 0.7074 0.7987 0.7987 1.0706 1.0706 1.1784 1.1784 1.2419 1.2419 1.6023 1.6023 1.7338 1.7338 1.8298 1.8298 1.9800 1.9800 7.8168 7.8168 8.1290 8.1290 9.9345 9.9345 10.2205 10.2205 10.5353 10.5353 k = 0.1848 0.3198 0.5061 ( 6272 PWs) bands (ev): -12.3614 -12.3614 -11.6356 -11.6356 -11.4785 -11.4785 -11.4300 -11.4300 -11.0305 -11.0305 -10.9766 -10.9766 -3.0990 -3.0990 -2.1214 -2.1214 -1.7423 -1.7423 -1.5363 -1.5363 -0.8577 -0.8577 -0.7611 -0.7611 -0.1602 -0.1602 -0.0354 -0.0354 0.5812 0.5812 0.6830 0.6830 0.8373 0.8373 1.0366 1.0366 1.1908 1.1908 1.2402 1.2402 1.6046 1.6046 1.7338 1.7338 1.8109 1.8109 1.9821 1.9821 7.8233 7.8233 8.1652 8.1652 9.9626 9.9626 10.2876 10.2876 10.5302 10.5302 k = 0.1755 0.3038 0.5061 ( 6278 PWs) bands (ev): -12.3827 -12.3827 -11.6095 -11.6095 -11.4889 -11.4889 -11.4235 -11.4235 -11.0238 -11.0238 -10.9770 -10.9770 -3.1289 -3.1289 -2.0999 -2.0999 -1.7424 -1.7424 -1.5319 -1.5319 -0.8984 -0.8984 -0.7752 -0.7752 -0.0939 -0.0939 -0.0630 -0.0630 0.5850 0.5850 0.6633 0.6633 0.8758 0.8758 1.0052 1.0052 1.2028 1.2028 1.2414 1.2414 1.6076 1.6076 1.7326 1.7326 1.7939 1.7939 1.9839 1.9839 7.8284 7.8284 8.2010 8.2010 9.9821 9.9821 10.3538 10.3538 10.5255 10.5255 k = 0.1663 0.2878 0.5061 ( 6274 PWs) bands (ev): -12.4032 -12.4032 -11.5836 -11.5836 -11.5003 -11.5003 -11.4156 -11.4156 -11.0175 -11.0175 -10.9775 -10.9775 -3.1578 -3.1578 -2.0790 -2.0790 -1.7408 -1.7408 -1.5267 -1.5267 -0.9390 -0.9390 -0.7908 -0.7908 -0.0980 -0.0980 -0.0239 -0.0239 0.5841 0.5841 0.6489 0.6489 0.8994 0.8994 0.9875 0.9875 1.2144 1.2144 1.2466 1.2466 1.6113 1.6113 1.7270 1.7270 1.7823 1.7823 1.9854 1.9854 7.8319 7.8319 8.2358 8.2358 9.9900 9.9900 10.4181 10.4181 10.5215 10.5215 k = 0.1571 0.2718 0.5061 ( 6268 PWs) bands (ev): -12.4229 -12.4229 -11.5581 -11.5581 -11.5118 -11.5118 -11.4072 -11.4072 -11.0116 -11.0116 -10.9781 -10.9781 -3.1856 -3.1856 -2.0586 -2.0586 -1.7375 -1.7375 -1.5206 -1.5206 -0.9792 -0.9792 -0.8070 -0.8070 -0.1356 -0.1356 0.0440 0.0440 0.5801 0.5801 0.6398 0.6398 0.8886 0.8886 0.9989 0.9989 1.2263 1.2263 1.2571 1.2571 1.6159 1.6159 1.7140 1.7140 1.7794 1.7794 1.9864 1.9864 7.8339 7.8339 8.2692 8.2692 9.9848 9.9848 10.4798 10.4798 10.5147 10.5147 k = 0.1478 0.2558 0.5061 ( 6270 PWs) bands (ev): -12.4419 -12.4419 -11.5331 -11.5331 -11.5232 -11.5232 -11.3986 -11.3986 -11.0063 -11.0063 -10.9787 -10.9787 -3.2123 -3.2123 -2.0388 -2.0388 -1.7325 -1.7325 -1.5137 -1.5137 -1.0185 -1.0185 -0.8235 -0.8235 -0.1775 -0.1775 0.1112 0.1112 0.5740 0.5740 0.6359 0.6359 0.8584 0.8584 1.0212 1.0212 1.2377 1.2377 1.2758 1.2758 1.6212 1.6212 1.6955 1.6955 1.7837 1.7837 1.9870 1.9870 7.8344 7.8344 8.3007 8.3007 9.9665 9.9665 10.4990 10.4990 10.5381 10.5381 k = 0.1386 0.2398 0.5061 ( 6262 PWs) bands (ev): -12.4599 -12.4599 -11.5343 -11.5343 -11.5088 -11.5088 -11.3900 -11.3900 -11.0015 -11.0015 -10.9795 -10.9795 -3.2378 -3.2378 -2.0194 -2.0194 -1.7258 -1.7258 -1.5062 -1.5062 -1.0566 -1.0566 -0.8400 -0.8400 -0.2231 -0.2231 0.1765 0.1765 0.5665 0.5665 0.6366 0.6366 0.8236 0.8236 1.0383 1.0383 1.2466 1.2466 1.3053 1.3053 1.6265 1.6265 1.6752 1.6752 1.7922 1.7922 1.9870 1.9870 7.8336 7.8336 8.3297 8.3297 9.9372 9.9372 10.4720 10.4720 10.5919 10.5919 k = 0.1293 0.2238 0.5061 ( 6267 PWs) bands (ev): -12.4770 -12.4770 -11.5449 -11.5449 -11.4851 -11.4851 -11.3816 -11.3816 -10.9972 -10.9972 -10.9803 -10.9803 -3.2620 -3.2620 -2.0006 -2.0006 -1.7175 -1.7175 -1.4981 -1.4981 -1.0933 -1.0933 -0.8562 -0.8562 -0.2714 -0.2714 0.2390 0.2390 0.5582 0.5582 0.6413 0.6413 0.7887 0.7887 1.0476 1.0476 1.2525 1.2525 1.3444 1.3444 1.6271 1.6271 1.6596 1.6596 1.8034 1.8034 1.9863 1.9863 7.8315 7.8315 8.3559 8.3559 9.8993 9.8993 10.4367 10.4367 10.6409 10.6409 k = 0.1201 0.2078 0.5061 ( 6261 PWs) bands (ev): -12.4931 -12.4931 -11.5549 -11.5549 -11.4622 -11.4622 -11.3733 -11.3733 -10.9935 -10.9935 -10.9813 -10.9813 -3.2848 -3.2848 -1.9824 -1.9824 -1.7077 -1.7077 -1.4896 -1.4896 -1.1280 -1.1280 -0.8720 -0.8720 -0.3218 -0.3218 0.2974 0.2974 0.5499 0.5499 0.6490 0.6490 0.7558 0.7558 1.0505 1.0505 1.2556 1.2556 1.3898 1.3898 1.6134 1.6134 1.6590 1.6590 1.8163 1.8163 1.9849 1.9849 7.8284 7.8284 8.3788 8.3788 9.8554 9.8554 10.3980 10.3980 10.6847 10.6847 k = 0.1109 0.1919 0.5061 ( 6257 PWs) bands (ev): -12.5081 -12.5081 -11.5645 -11.5645 -11.4403 -11.4403 -11.3654 -11.3654 -10.9903 -10.9903 -10.9822 -10.9822 -3.3063 -3.3063 -1.9648 -1.9648 -1.6966 -1.6966 -1.4808 -1.4808 -1.1607 -1.1607 -0.8871 -0.8871 -0.3733 -0.3733 0.3496 0.3496 0.5425 0.5425 0.6583 0.6583 0.7274 0.7274 1.0492 1.0492 1.2562 1.2562 1.4379 1.4379 1.5916 1.5916 1.6678 1.6678 1.8304 1.8304 1.9829 1.9829 7.8245 7.8245 8.3981 8.3981 9.8076 9.8076 10.3594 10.3594 10.7230 10.7230 k = 0.1016 0.1759 0.5061 ( 6262 PWs) bands (ev): -12.5221 -12.5221 -11.5734 -11.5734 -11.4194 -11.4194 -11.3578 -11.3578 -10.9876 -10.9876 -10.9832 -10.9832 -3.3263 -3.3263 -1.9478 -1.9478 -1.6843 -1.6843 -1.4719 -1.4719 -1.1908 -1.1908 -0.9017 -0.9017 -0.4254 -0.4254 0.3923 0.3923 0.5374 0.5374 0.6660 0.6660 0.7087 0.7087 1.0452 1.0452 1.2544 1.2544 1.4850 1.4850 1.5699 1.5699 1.6798 1.6798 1.8451 1.8451 1.9800 1.9800 7.8199 7.8199 8.4138 8.4138 9.7578 9.7578 10.3232 10.3232 10.7558 10.7558 k = 0.0924 0.1599 0.5061 ( 6269 PWs) bands (ev): -12.5350 -12.5350 -11.5816 -11.5816 -11.3997 -11.3997 -11.3506 -11.3506 -10.9854 -10.9854 -10.9842 -10.9842 -3.3448 -3.3448 -1.9317 -1.9317 -1.6710 -1.6710 -1.4629 -1.4629 -1.2182 -1.2182 -0.9154 -0.9154 -0.4771 -0.4771 0.4209 0.4209 0.5349 0.5349 0.6679 0.6679 0.7078 0.7078 1.0396 1.0396 1.2506 1.2506 1.5160 1.5160 1.5630 1.5630 1.6935 1.6935 1.8599 1.8599 1.9764 1.9764 7.8149 7.8149 8.4258 8.4258 9.7076 9.7076 10.2910 10.2910 10.7830 10.7830 k = 0.0832 0.1439 0.5061 ( 6269 PWs) bands (ev): -12.5468 -12.5468 -11.5891 -11.5891 -11.3812 -11.3812 -11.3439 -11.3439 -10.9853 -10.9853 -10.9838 -10.9838 -3.3618 -3.3618 -1.9165 -1.9165 -1.6572 -1.6572 -1.4542 -1.4542 -1.2425 -1.2425 -0.9283 -0.9283 -0.5279 -0.5279 0.4335 0.4335 0.5313 0.5313 0.6748 0.6748 0.7195 0.7195 1.0331 1.0331 1.2449 1.2449 1.5047 1.5047 1.5970 1.5970 1.7081 1.7081 1.8743 1.8743 1.9721 1.9721 7.8097 7.8097 8.4344 8.4344 9.6582 9.6582 10.2635 10.2635 10.8046 10.8046 k = 0.0739 0.1279 0.5061 ( 6265 PWs) bands (ev): -12.5574 -12.5574 -11.5960 -11.5960 -11.3641 -11.3641 -11.3377 -11.3377 -10.9863 -10.9863 -10.9826 -10.9826 -3.3771 -3.3771 -1.9023 -1.9023 -1.6432 -1.6432 -1.4458 -1.4458 -1.2636 -1.2636 -0.9402 -0.9402 -0.5770 -0.5770 0.4344 0.4344 0.5218 0.5218 0.6953 0.6953 0.7356 0.7356 1.0261 1.0261 1.2377 1.2377 1.4818 1.4818 1.6404 1.6404 1.7233 1.7233 1.8876 1.8876 1.9672 1.9672 7.8044 7.8044 8.4397 8.4397 9.6109 9.6109 10.2409 10.2409 10.8199 10.8199 k = 0.0647 0.1119 0.5061 ( 6253 PWs) bands (ev): -12.5668 -12.5668 -11.6020 -11.6020 -11.3486 -11.3486 -11.3322 -11.3322 -10.9872 -10.9872 -10.9817 -10.9817 -3.3908 -3.3908 -1.8893 -1.8893 -1.6295 -1.6295 -1.4379 -1.4379 -1.2810 -1.2810 -0.9511 -0.9511 -0.6237 -0.6237 0.4292 0.4292 0.5074 0.5074 0.7250 0.7250 0.7537 0.7537 1.0188 1.0188 1.2295 1.2295 1.4577 1.4577 1.6828 1.6828 1.7388 1.7388 1.8993 1.8993 1.9619 1.9619 7.7993 7.7993 8.4424 8.4424 9.5667 9.5667 10.2231 10.2231 10.8279 10.8279 k = 0.0554 0.0959 0.5061 ( 6253 PWs) bands (ev): -12.5749 -12.5749 -11.6073 -11.6073 -11.3348 -11.3348 -11.3272 -11.3272 -10.9881 -10.9881 -10.9812 -10.9812 -3.4027 -3.4027 -1.8777 -1.8777 -1.6166 -1.6166 -1.4306 -1.4306 -1.2947 -1.2947 -0.9608 -0.9608 -0.6671 -0.6671 0.4213 0.4213 0.4916 0.4916 0.7555 0.7555 0.7753 0.7753 1.0111 1.0111 1.2207 1.2207 1.4340 1.4340 1.7222 1.7222 1.7542 1.7542 1.9084 1.9084 1.9567 1.9567 7.7945 7.7945 8.4430 8.4430 9.5266 9.5266 10.2097 10.2097 10.8283 10.8283 k = 0.0462 0.0799 0.5061 ( 6246 PWs) bands (ev): -12.5819 -12.5819 -11.6119 -11.6119 -11.3232 -11.3232 -11.3226 -11.3226 -10.9889 -10.9889 -10.9810 -10.9810 -3.4129 -3.4129 -1.8675 -1.8675 -1.6051 -1.6051 -1.4242 -1.4242 -1.3048 -1.3048 -0.9694 -0.9694 -0.7065 -0.7065 0.4127 0.4127 0.4767 0.4767 0.7780 0.7780 0.8044 0.8044 1.0030 1.0030 1.2117 1.2117 1.4117 1.4117 1.7578 1.7578 1.7691 1.7691 1.9138 1.9138 1.9525 1.9525 7.7902 7.7902 8.4421 8.4421 9.4912 9.4912 10.2000 10.2000 10.8238 10.8238 k = 0.0370 0.0640 0.5061 ( 6244 PWs) bands (ev): -12.5876 -12.5876 -11.6156 -11.6156 -11.3194 -11.3194 -11.3128 -11.3128 -10.9896 -10.9896 -10.9810 -10.9810 -3.4213 -3.4213 -1.8590 -1.8590 -1.5954 -1.5954 -1.4188 -1.4188 -1.3114 -1.3114 -0.9766 -0.9766 -0.7408 -0.7408 0.4045 0.4045 0.4637 0.4637 0.7942 0.7942 0.8368 0.8368 0.9942 0.9942 1.2032 1.2032 1.3916 1.3916 1.7825 1.7825 1.7899 1.7899 1.9143 1.9143 1.9504 1.9504 7.7865 7.7865 8.4403 8.4403 9.4614 9.4614 10.1934 10.1934 10.8178 10.8178 k = 0.0277 0.0480 0.5061 ( 6240 PWs) bands (ev): -12.5921 -12.5921 -11.6185 -11.6185 -11.3166 -11.3166 -11.3048 -11.3048 -10.9902 -10.9902 -10.9810 -10.9810 -3.4278 -3.4278 -1.8522 -1.8522 -1.5879 -1.5879 -1.4143 -1.4143 -1.3151 -1.3151 -0.9825 -0.9825 -0.7691 -0.7691 0.3973 0.3973 0.4534 0.4534 0.8070 0.8070 0.8677 0.8677 0.9844 0.9844 1.1956 1.1956 1.3743 1.3743 1.7949 1.7949 1.8168 1.8168 1.9101 1.9101 1.9502 1.9502 7.7835 7.7835 8.4382 8.4382 9.4377 9.4377 10.1891 10.1891 10.8121 10.8121 k = 0.0185 0.0320 0.5061 ( 6240 PWs) bands (ev): -12.5953 -12.5953 -11.6206 -11.6206 -11.3146 -11.3146 -11.2991 -11.2991 -10.9906 -10.9906 -10.9811 -10.9811 -3.4325 -3.4325 -1.8472 -1.8472 -1.5825 -1.5825 -1.4111 -1.4111 -1.3167 -1.3167 -0.9868 -0.9868 -0.7902 -0.7902 0.3918 0.3918 0.4460 0.4460 0.8165 0.8165 0.8956 0.8956 0.9729 0.9729 1.1897 1.1897 1.3610 1.3610 1.8048 1.8048 1.8392 1.8392 1.9028 1.9028 1.9507 1.9507 7.7813 7.7813 8.4363 8.4363 9.4204 9.4204 10.1866 10.1866 10.8077 10.8077 k = 0.0092 0.0160 0.5061 ( 6238 PWs) bands (ev): -12.5972 -12.5972 -11.6218 -11.6218 -11.3134 -11.3134 -11.2956 -11.2956 -10.9909 -10.9909 -10.9812 -10.9812 -3.4353 -3.4353 -1.8442 -1.8442 -1.5794 -1.5794 -1.4091 -1.4091 -1.3172 -1.3172 -0.9895 -0.9895 -0.8034 -0.8034 0.3883 0.3883 0.4415 0.4415 0.8225 0.8225 0.9195 0.9195 0.9593 0.9593 1.1859 1.1859 1.3526 1.3526 1.8113 1.8113 1.8561 1.8561 1.8945 1.8945 1.9511 1.9511 7.7799 7.7799 8.4350 8.4350 9.4099 9.4099 10.1853 10.1853 10.8049 10.8049 k = 0.0000 0.0000 0.5061 ( 6238 PWs) bands (ev): -12.5978 -12.5978 -11.6223 -11.6223 -11.3130 -11.3130 -11.2944 -11.2944 -10.9909 -10.9909 -10.9813 -10.9813 -3.4363 -3.4363 -1.8432 -1.8432 -1.5783 -1.5783 -1.4084 -1.4084 -1.3173 -1.3173 -0.9904 -0.9904 -0.8078 -0.8078 0.3871 0.3871 0.4400 0.4400 0.8245 0.8245 0.9349 0.9349 0.9475 0.9475 1.1846 1.1846 1.3497 1.3497 1.8136 1.8136 1.8639 1.8639 1.8895 1.8895 1.9512 1.9512 7.7795 7.7795 8.4346 8.4346 9.4064 9.4064 10.1848 10.1848 10.8040 10.8040 k = 0.0000 0.0000 0.5061 ( 6238 PWs) bands (ev): -12.5978 -12.5978 -11.6223 -11.6223 -11.3130 -11.3130 -11.2944 -11.2944 -10.9909 -10.9909 -10.9813 -10.9813 -3.4363 -3.4363 -1.8432 -1.8432 -1.5783 -1.5783 -1.4084 -1.4084 -1.3173 -1.3173 -0.9904 -0.9904 -0.8078 -0.8078 0.3871 0.3871 0.4400 0.4400 0.8245 0.8245 0.9349 0.9349 0.9475 0.9475 1.1846 1.1846 1.3497 1.3497 1.8136 1.8136 1.8639 1.8639 1.8895 1.8895 1.9512 1.9512 7.7795 7.7795 8.4346 8.4346 9.4064 9.4064 10.1848 10.1848 10.8040 10.8040 k = 0.0161-0.0093 0.5061 ( 6234 PWs) bands (ev): -12.5972 -12.5972 -11.6218 -11.6218 -11.3139 -11.3139 -11.2947 -11.2947 -10.9911 -10.9911 -10.9813 -10.9813 -3.4353 -3.4353 -1.8440 -1.8440 -1.5798 -1.5798 -1.4069 -1.4069 -1.3193 -1.3193 -0.9849 -0.9849 -0.8076 -0.8076 0.3893 0.3893 0.4407 0.4407 0.8146 0.8146 0.9428 0.9428 0.9479 0.9479 1.1843 1.1843 1.3493 1.3493 1.8106 1.8106 1.8564 1.8564 1.8947 1.8947 1.9510 1.9510 7.7801 7.7801 8.4355 8.4355 9.4100 9.4100 10.1822 10.1822 10.8077 10.8077 k = 0.0323-0.0186 0.5061 ( 6236 PWs) bands (ev): -12.5952 -12.5952 -11.6205 -11.6205 -11.3168 -11.3168 -11.2956 -11.2956 -10.9918 -10.9918 -10.9816 -10.9816 -3.4325 -3.4325 -1.8465 -1.8465 -1.5840 -1.5840 -1.4023 -1.4023 -1.3247 -1.3247 -0.9690 -0.9690 -0.8070 -0.8070 0.3959 0.3959 0.4429 0.4429 0.7909 0.7909 0.9442 0.9442 0.9654 0.9654 1.1836 1.1836 1.3481 1.3481 1.8024 1.8024 1.8403 1.8403 1.9036 1.9036 1.9504 1.9504 7.7821 7.7821 8.4381 8.4381 9.4207 9.4207 10.1744 10.1744 10.8187 10.8187 k = 0.0484-0.0280 0.5061 ( 6234 PWs) bands (ev): -12.5919 -12.5919 -11.6184 -11.6184 -11.3217 -11.3217 -11.2971 -11.2971 -10.9928 -10.9928 -10.9819 -10.9819 -3.4279 -3.4279 -1.8506 -1.8506 -1.5907 -1.5907 -1.3950 -1.3950 -1.3323 -1.3323 -0.9441 -0.9441 -0.8058 -0.8058 0.4066 0.4066 0.4464 0.4464 0.7605 0.7605 0.9412 0.9412 0.9907 0.9907 1.1824 1.1824 1.3461 1.3461 1.7900 1.7900 1.8193 1.8193 1.9117 1.9117 1.9495 1.9495 7.7853 7.7853 8.4423 8.4423 9.4385 9.4385 10.1623 10.1623 10.8361 10.8361 k = 0.0645-0.0373 0.5061 ( 6244 PWs) bands (ev): -12.5873 -12.5873 -11.6153 -11.6153 -11.3284 -11.3284 -11.2992 -11.2992 -10.9943 -10.9943 -10.9824 -10.9824 -3.4214 -3.4214 -1.8562 -1.8562 -1.5993 -1.5993 -1.3855 -1.3855 -1.3404 -1.3404 -0.9121 -0.9121 -0.8037 -0.8037 0.4213 0.4213 0.4512 0.4512 0.7267 0.7267 0.9368 0.9368 1.0173 1.0173 1.1807 1.1807 1.3433 1.3433 1.7747 1.7747 1.7939 1.7939 1.9176 1.9176 1.9485 1.9485 7.7898 7.7898 8.4475 8.4475 9.4629 9.4629 10.1468 10.1468 10.8591 10.8591 k = 0.0806-0.0466 0.5061 ( 6250 PWs) bands (ev): -12.5814 -12.5814 -11.6115 -11.6115 -11.3370 -11.3370 -11.3018 -11.3018 -10.9962 -10.9962 -10.9831 -10.9831 -3.4131 -3.4131 -1.8634 -1.8634 -1.6092 -1.6092 -1.3771 -1.3771 -1.3451 -1.3451 -0.8754 -0.8754 -0.7998 -0.7998 0.4394 0.4394 0.4575 0.4575 0.6908 0.6908 0.9312 0.9312 1.0436 1.0436 1.1784 1.1784 1.3400 1.3400 1.7557 1.7557 1.7658 1.7658 1.9207 1.9207 1.9475 1.9475 7.7954 7.7954 8.4533 8.4533 9.4935 9.4935 10.1290 10.1290 10.8813 10.8813 k = 0.0968-0.0559 0.5061 ( 6246 PWs) bands (ev): -12.5742 -12.5742 -11.6068 -11.6068 -11.3474 -11.3474 -11.3049 -11.3049 -10.9986 -10.9986 -10.9839 -10.9839 -3.4030 -3.4030 -1.8721 -1.8721 -1.6197 -1.6197 -1.3768 -1.3768 -1.3388 -1.3388 -0.8387 -0.8387 -0.7904 -0.7904 0.4572 0.4572 0.4682 0.4682 0.6535 0.6535 0.9244 0.9244 1.0686 1.0686 1.1757 1.1757 1.3363 1.3363 1.7246 1.7246 1.7448 1.7448 1.9207 1.9207 1.9468 1.9468 7.8021 7.8021 8.4591 8.4591 9.5298 9.5298 10.1101 10.1101 10.8760 10.8760 k = 0.1129-0.0652 0.5061 ( 6246 PWs) bands (ev): -12.5657 -12.5657 -11.6012 -11.6012 -11.3595 -11.3595 -11.3085 -11.3085 -11.0015 -11.0015 -10.9849 -10.9849 -3.3912 -3.3912 -1.8821 -1.8821 -1.6303 -1.6303 -1.3838 -1.3838 -1.3221 -1.3221 -0.8148 -0.8148 -0.7637 -0.7637 0.4666 0.4666 0.4902 0.4902 0.6158 0.6158 0.9165 0.9165 1.0915 1.0915 1.1724 1.1724 1.3328 1.3328 1.6852 1.6852 1.7281 1.7281 1.9179 1.9179 1.9458 1.9458 7.8099 7.8099 8.4643 8.4643 9.5709 9.5709 10.0911 10.0911 10.8714 10.8714 k = 0.1290-0.0746 0.5061 ( 6240 PWs) bands (ev): -12.5559 -12.5559 -11.5949 -11.5949 -11.3734 -11.3734 -11.3124 -11.3124 -11.0049 -11.0049 -10.9860 -10.9860 -3.3776 -3.3776 -1.8934 -1.8934 -1.6403 -1.6403 -1.3930 -1.3930 -1.3003 -1.3003 -0.8047 -0.8047 -0.7195 -0.7195 0.4712 0.4712 0.5172 0.5172 0.5800 0.5800 0.9075 0.9075 1.1111 1.1111 1.1684 1.1684 1.3302 1.3302 1.6413 1.6413 1.7131 1.7131 1.9130 1.9130 1.9441 1.9441 7.8185 7.8185 8.4682 8.4682 9.6160 9.6160 10.0732 10.0732 10.8691 10.8691 k = 0.1452-0.0839 0.5061 ( 6246 PWs) bands (ev): -12.5450 -12.5450 -11.5878 -11.5878 -11.3888 -11.3888 -11.3168 -11.3168 -11.0089 -11.0089 -10.9873 -10.9873 -3.3624 -3.3624 -1.9060 -1.9060 -1.6493 -1.6493 -1.4025 -1.4025 -1.2751 -1.2751 -0.7980 -0.7980 -0.6688 -0.6688 0.4676 0.4676 0.5378 0.5378 0.5604 0.5604 0.8974 0.8974 1.1261 1.1261 1.1639 1.1639 1.3295 1.3295 1.5940 1.5940 1.7000 1.7000 1.9063 1.9063 1.9411 1.9411 7.8278 7.8278 8.4701 8.4701 9.6636 9.6636 10.0576 10.0576 10.8700 10.8700 k = 0.1613-0.0932 0.5061 ( 6250 PWs) bands (ev): -12.5328 -12.5328 -11.5799 -11.5799 -11.4058 -11.4058 -11.3214 -11.3214 -11.0134 -11.0134 -10.9887 -10.9887 -3.3456 -3.3456 -1.9196 -1.9196 -1.6569 -1.6569 -1.4117 -1.4117 -1.2473 -1.2473 -0.7915 -0.7915 -0.6153 -0.6153 0.4464 0.4464 0.5323 0.5323 0.5857 0.5857 0.8863 0.8863 1.1352 1.1352 1.1586 1.1586 1.3317 1.3317 1.5442 1.5442 1.6893 1.6893 1.8984 1.8984 1.9366 1.9366 7.8377 7.8377 8.4697 8.4697 9.7120 9.7120 10.0459 10.0459 10.8743 10.8743 k = 0.1774-0.1025 0.5061 ( 6248 PWs) bands (ev): -12.5194 -12.5194 -11.5713 -11.5713 -11.4242 -11.4242 -11.3263 -11.3263 -11.0185 -11.0185 -10.9902 -10.9902 -3.3273 -3.3273 -1.9342 -1.9342 -1.6630 -1.6630 -1.4203 -1.4203 -1.2173 -1.2173 -0.7843 -0.7843 -0.5606 -0.5606 0.4096 0.4096 0.5345 0.5345 0.6194 0.6194 0.8743 0.8743 1.1373 1.1373 1.1526 1.1526 1.3372 1.3372 1.4931 1.4931 1.6813 1.6813 1.8893 1.8893 1.9305 1.9305 7.8479 7.8479 8.4664 8.4664 9.7583 9.7583 10.0406 10.0406 10.8824 10.8824 k = 0.1935-0.1118 0.5061 ( 6256 PWs) bands (ev): -12.5049 -12.5049 -11.5621 -11.5621 -11.4440 -11.4440 -11.3313 -11.3313 -11.0242 -11.0242 -10.9919 -10.9919 -3.3075 -3.3075 -1.9496 -1.9496 -1.6675 -1.6675 -1.4280 -1.4280 -1.1853 -1.1853 -0.7762 -0.7762 -0.5056 -0.5056 0.3663 0.3663 0.5422 0.5422 0.6547 0.6547 0.8614 0.8614 1.1326 1.1326 1.1454 1.1454 1.3455 1.3455 1.4425 1.4425 1.6762 1.6762 1.8792 1.8792 1.9228 1.9228 7.8581 7.8581 8.4601 8.4601 9.7986 9.7986 10.0449 10.0449 10.8945 10.8945 k = 0.2097-0.1212 0.5061 ( 6256 PWs) bands (ev): -12.4893 -12.4893 -11.5521 -11.5521 -11.4651 -11.4651 -11.3365 -11.3365 -11.0305 -11.0305 -10.9936 -10.9936 -3.2865 -3.2865 -1.9657 -1.9657 -1.6703 -1.6703 -1.4345 -1.4345 -1.1518 -1.1518 -0.7669 -0.7669 -0.4516 -0.4516 0.3208 0.3208 0.5519 0.5519 0.6901 0.6901 0.8479 0.8479 1.1223 1.1223 1.1357 1.1357 1.3533 1.3533 1.3966 1.3966 1.6743 1.6743 1.8683 1.8683 1.9136 1.9136 7.8682 7.8682 8.4509 8.4509 9.8287 9.8287 10.0627 10.0627 10.9104 10.9104 k = 0.2258-0.1305 0.5061 ( 6266 PWs) bands (ev): -12.4726 -12.4726 -11.5416 -11.5416 -11.4873 -11.4873 -11.3417 -11.3417 -11.0374 -11.0374 -10.9954 -10.9954 -3.2643 -3.2643 -1.9823 -1.9823 -1.6715 -1.6715 -1.4395 -1.4395 -1.1170 -1.1170 -0.7564 -0.7564 -0.4000 -0.4000 0.2754 0.2754 0.5623 0.5623 0.7242 0.7242 0.8343 0.8343 1.1065 1.1065 1.1234 1.1234 1.3400 1.3400 1.3770 1.3770 1.6758 1.6758 1.8565 1.8565 1.9030 1.9030 7.8776 7.8776 8.4388 8.4388 9.8470 9.8470 10.0949 10.0949 10.9298 10.9298 k = 0.2419-0.1398 0.5061 ( 6272 PWs) bands (ev): -12.4548 -12.4548 -11.5305 -11.5305 -11.5106 -11.5106 -11.3469 -11.3469 -11.0449 -11.0449 -10.9973 -10.9973 -3.2411 -3.2411 -1.9994 -1.9994 -1.6715 -1.6715 -1.4424 -1.4424 -1.0814 -1.0814 -0.7444 -0.7444 -0.3530 -0.3530 0.2327 0.2327 0.5729 0.5729 0.7527 0.7527 0.8237 0.8237 1.0841 1.0841 1.1093 1.1093 1.3076 1.3076 1.3837 1.3837 1.6805 1.6805 1.8439 1.8439 1.8913 1.8913 7.8862 7.8862 8.4244 8.4244 9.8558 9.8558 10.1381 10.1381 10.9521 10.9521 k = 0.2581-0.1491 0.5061 ( 6270 PWs) bands (ev): -12.4361 -12.4361 -11.5349 -11.5349 -11.5188 -11.5188 -11.3521 -11.3521 -11.0530 -11.0530 -10.9993 -10.9993 -3.2170 -3.2170 -2.0168 -2.0168 -1.6706 -1.6706 -1.4428 -1.4428 -1.0454 -1.0454 -0.7310 -0.7310 -0.3138 -0.3138 0.1959 0.1959 0.5833 0.5833 0.7635 0.7635 0.8265 0.8265 1.0547 1.0547 1.0946 1.0946 1.2821 1.2821 1.3916 1.3916 1.6885 1.6885 1.8307 1.8307 1.8784 1.8784 7.8934 7.8934 8.4082 8.4082 9.8593 9.8593 10.1875 10.1875 10.9768 10.9768 k = 0.2742-0.1585 0.5061 ( 6268 PWs) bands (ev): -12.4164 -12.4164 -11.5600 -11.5600 -11.5067 -11.5067 -11.3572 -11.3572 -11.0616 -11.0616 -11.0012 -11.0012 -3.1923 -3.1923 -2.0344 -2.0344 -1.6691 -1.6691 -1.4400 -1.4400 -1.0095 -1.0095 -0.7159 -0.7159 -0.2871 -0.2871 0.1696 0.1696 0.5931 0.5931 0.7508 0.7508 0.8461 0.8461 1.0211 1.0211 1.0800 1.0800 1.2665 1.2665 1.3974 1.3974 1.6993 1.6993 1.8169 1.8169 1.8648 1.8648 7.8988 7.8988 8.3910 8.3910 9.8606 9.8606 10.2387 10.2387 10.9949 10.9949 k = 0.2903-0.1678 0.5061 ( 6276 PWs) bands (ev): -12.3960 -12.3960 -11.5858 -11.5858 -11.4942 -11.4942 -11.3621 -11.3621 -11.0709 -11.0709 -11.0031 -11.0031 -3.1671 -3.1671 -2.0520 -2.0520 -1.6677 -1.6677 -1.4336 -1.4336 -0.9743 -0.9743 -0.6988 -0.6988 -0.2778 -0.2778 0.1588 0.1588 0.6019 0.6019 0.7263 0.7263 0.8671 0.8671 0.9892 0.9892 1.0658 1.0658 1.2596 1.2596 1.4007 1.4007 1.7123 1.7123 1.8029 1.8029 1.8507 1.8507 7.9020 7.9020 8.3737 8.3737 9.8616 9.8616 10.2883 10.2883 10.9390 10.9390 k = 0.3065-0.1771 0.5061 ( 6278 PWs) bands (ev): -12.3747 -12.3747 -11.6123 -11.6123 -11.4814 -11.4814 -11.3667 -11.3667 -11.0806 -11.0806 -11.0050 -11.0050 -3.1418 -3.1418 -2.0695 -2.0695 -1.6665 -1.6665 -1.4231 -1.4231 -0.9402 -0.9402 -0.6797 -0.6797 -0.2887 -0.2887 0.1662 0.1662 0.6087 0.6087 0.6949 0.6949 0.8780 0.8780 0.9682 0.9682 1.0525 1.0525 1.2602 1.2602 1.4010 1.4010 1.7260 1.7260 1.7893 1.7893 1.8363 1.8363 7.9027 7.9027 8.3570 8.3570 9.8632 9.8632 10.3334 10.3334 10.8804 10.8804 k = 0.3226-0.1864 0.5061 ( 6272 PWs) bands (ev): -12.3528 -12.3528 -11.6392 -11.6392 -11.4684 -11.4684 -11.3711 -11.3711 -11.0908 -11.0908 -11.0069 -11.0069 -3.1165 -3.1165 -2.0867 -2.0867 -1.6660 -1.6660 -1.4082 -1.4082 -0.9080 -0.9080 -0.6582 -0.6582 -0.3176 -0.3176 0.1895 0.1895 0.6098 0.6098 0.6613 0.6613 0.8718 0.8718 0.9653 0.9653 1.0402 1.0402 1.2673 1.2673 1.3986 1.3986 1.7372 1.7372 1.7787 1.7787 1.8222 1.8222 7.9005 7.9005 8.3417 8.3417 9.8661 9.8661 10.3703 10.3703 10.8263 10.8263 k = 0.3387-0.1957 0.5061 ( 6264 PWs) bands (ev): -12.3304 -12.3304 -11.6663 -11.6663 -11.4553 -11.4553 -11.3751 -11.3751 -11.1013 -11.1013 -11.0087 -11.0087 -3.0915 -3.0915 -2.1035 -2.1035 -1.6662 -1.6662 -1.3887 -1.3887 -0.8782 -0.8782 -0.6343 -0.6343 -0.3596 -0.3596 0.2240 0.2240 0.5893 0.5893 0.6424 0.6424 0.8557 0.8557 0.9734 0.9734 1.0292 1.0292 1.2801 1.2801 1.3937 1.3937 1.7375 1.7375 1.7780 1.7780 1.8093 1.8093 7.8955 7.8955 8.3284 8.3284 9.8705 9.8705 10.3944 10.3944 10.7823 10.7823 k = 0.3548-0.2051 0.5061 ( 6272 PWs) bands (ev): -12.3075 -12.3075 -11.6936 -11.6936 -11.4423 -11.4423 -11.3786 -11.3786 -11.1122 -11.1122 -11.0103 -11.0103 -3.0672 -3.0672 -2.1198 -2.1198 -1.6671 -1.6671 -1.3647 -1.3647 -0.8513 -0.8513 -0.6079 -0.6079 -0.4102 -0.4102 0.2646 0.2646 0.5460 0.5460 0.6412 0.6412 0.8387 0.8387 0.9830 0.9830 1.0198 1.0198 1.2977 1.2977 1.3864 1.3864 1.7260 1.7260 1.7824 1.7824 1.8032 1.8032 7.8879 7.8879 8.3174 8.3174 9.8765 9.8765 10.4011 10.4011 10.7535 10.7535 k = 0.3710-0.2144 0.5061 ( 6278 PWs) bands (ev): -12.2845 -12.2845 -11.7206 -11.7206 -11.4298 -11.4298 -11.3815 -11.3815 -11.1232 -11.1232 -11.0119 -11.0119 -3.0440 -3.0440 -2.1352 -2.1352 -1.6686 -1.6686 -1.3365 -1.3365 -0.8276 -0.8276 -0.5793 -0.5793 -0.4658 -0.4658 0.3077 0.3077 0.4965 0.4965 0.6434 0.6434 0.8236 0.8236 0.9902 0.9902 1.0125 1.0125 1.3192 1.3192 1.3772 1.3772 1.7101 1.7101 1.7755 1.7755 1.8126 1.8126 7.8781 7.8781 8.3088 8.3088 9.8842 9.8842 10.3892 10.3892 10.7407 10.7407 k = 0.3871-0.2237 0.5061 ( 6270 PWs) bands (ev): -12.2615 -12.2615 -11.7473 -11.7473 -11.4182 -11.4182 -11.3831 -11.3831 -11.1343 -11.1343 -11.0133 -11.0133 -3.0221 -3.0221 -2.1497 -2.1497 -1.6704 -1.6704 -1.3043 -1.3043 -0.8072 -0.8072 -0.5500 -0.5500 -0.5234 -0.5234 0.3489 0.3489 0.4481 0.4481 0.6452 0.6452 0.8108 0.8108 0.9930 0.9930 1.0087 1.0087 1.3431 1.3431 1.3668 1.3668 1.6924 1.6924 1.7649 1.7649 1.8270 1.8270 7.8669 7.8669 8.3025 8.3025 9.8935 9.8935 10.3629 10.3629 10.7386 10.7386 k = 0.4032-0.2330 0.5061 ( 6272 PWs) bands (ev): -12.2390 -12.2390 -11.7731 -11.7731 -11.4089 -11.4089 -11.3826 -11.3826 -11.1452 -11.1452 -11.0146 -11.0146 -3.0020 -3.0020 -2.1630 -2.1630 -1.6724 -1.6724 -1.2686 -1.2686 -0.7900 -0.7900 -0.5852 -0.5852 -0.5168 -0.5168 0.3677 0.3677 0.4220 0.4220 0.6457 0.6457 0.8003 0.8003 0.9912 0.9912 1.0087 1.0087 1.3532 1.3532 1.3711 1.3711 1.6736 1.6736 1.7547 1.7547 1.8413 1.8413 7.8549 7.8549 8.2981 8.2981 9.9041 9.9041 10.3288 10.3288 10.7394 10.7394 k = 0.4194-0.2423 0.5061 ( 6272 PWs) bands (ev): -12.2173 -12.2173 -11.7976 -11.7976 -11.4036 -11.4036 -11.3783 -11.3783 -11.1557 -11.1557 -11.0157 -11.0157 -2.9841 -2.9841 -2.1748 -2.1748 -1.6744 -1.6744 -1.2298 -1.2298 -0.7761 -0.7761 -0.6446 -0.6446 -0.4860 -0.4860 0.3340 0.3340 0.4491 0.4491 0.6445 0.6445 0.7917 0.7917 0.9879 0.9879 1.0100 1.0100 1.3416 1.3416 1.3975 1.3975 1.6541 1.6541 1.7457 1.7457 1.8543 1.8543 7.8432 7.8432 8.2953 8.2953 9.9158 9.9158 10.2926 10.2926 10.7378 10.7378 k = 0.4355-0.2517 0.5061 ( 6274 PWs) bands (ev): -12.1971 -12.1971 -11.8201 -11.8201 -11.4020 -11.4020 -11.3710 -11.3710 -11.1654 -11.1654 -11.0166 -11.0166 -2.9688 -2.9688 -2.1849 -2.1849 -1.6762 -1.6762 -1.1886 -1.1886 -0.7662 -0.7662 -0.7021 -0.7021 -0.4565 -0.4565 0.2926 0.2926 0.4853 0.4853 0.6412 0.6412 0.7850 0.7850 0.9848 0.9848 1.0110 1.0110 1.3299 1.3299 1.4246 1.4246 1.6339 1.6339 1.7381 1.7381 1.8655 1.8655 7.8323 7.8323 8.2935 8.2935 9.9281 9.9281 10.2579 10.2579 10.7325 10.7325 k = 0.4516-0.2610 0.5061 ( 6270 PWs) bands (ev): -12.1793 -12.1793 -11.8397 -11.8397 -11.4020 -11.4020 -11.3632 -11.3632 -11.1738 -11.1738 -11.0173 -11.0173 -2.9564 -2.9564 -2.1931 -2.1931 -1.6778 -1.6778 -1.1462 -1.1462 -0.7720 -0.7720 -0.7440 -0.7440 -0.4303 -0.4303 0.2559 0.2559 0.5193 0.5193 0.6353 0.6353 0.7798 0.7798 0.9823 0.9823 1.0116 1.0116 1.3194 1.3194 1.4511 1.4511 1.6133 1.6133 1.7322 1.7322 1.8745 1.8745 7.8232 7.8232 8.2925 8.2925 9.9401 9.9401 10.2273 10.2273 10.7250 10.7250 k = 0.4677-0.2703 0.5061 ( 6268 PWs) bands (ev): -12.1650 -12.1650 -11.8553 -11.8553 -11.4023 -11.4023 -11.3566 -11.3566 -11.1805 -11.1805 -11.0179 -11.0179 -2.9473 -2.9473 -2.1992 -2.1992 -1.6790 -1.6790 -1.1049 -1.1049 -0.8159 -0.8159 -0.7454 -0.7454 -0.4093 -0.4093 0.2271 0.2271 0.5493 0.5493 0.6264 0.6264 0.7762 0.7762 0.9807 0.9807 1.0120 1.0120 1.3111 1.3111 1.4761 1.4761 1.5928 1.5928 1.7279 1.7279 1.8811 1.8811 7.8162 7.8162 8.2921 8.2921 9.9506 9.9506 10.2030 10.2030 10.7178 10.7178 k = 0.4839-0.2796 0.5061 ( 6280 PWs) bands (ev): -12.1557 -12.1557 -11.8654 -11.8654 -11.4027 -11.4027 -11.3522 -11.3522 -11.1849 -11.1849 -11.0182 -11.0182 -2.9417 -2.9417 -2.2029 -2.2029 -1.6797 -1.6797 -1.0704 -1.0704 -0.8557 -0.8557 -0.7427 -0.7427 -0.3956 -0.3956 0.2086 0.2086 0.5745 0.5745 0.6144 0.6144 0.7741 0.7741 0.9797 0.9797 1.0121 1.0121 1.3057 1.3057 1.4972 1.4972 1.5745 1.5745 1.7254 1.7254 1.8851 1.8851 7.8119 7.8119 8.2918 8.2918 9.9581 9.9581 10.1871 10.1871 10.7127 10.7127 k = 0.5000-0.2889 0.5061 ( 6278 PWs) bands (ev): -12.1525 -12.1525 -11.8689 -11.8689 -11.4028 -11.4028 -11.3506 -11.3506 -11.1864 -11.1864 -11.0183 -11.0183 -2.9398 -2.9398 -2.2041 -2.2041 -1.6799 -1.6799 -1.0554 -1.0554 -0.8726 -0.8726 -0.7416 -0.7416 -0.3908 -0.3908 0.2022 0.2022 0.5902 0.5902 0.6030 0.6030 0.7734 0.7734 0.9794 0.9794 1.0122 1.0122 1.3039 1.3039 1.5071 1.5071 1.5656 1.5656 1.7245 1.7245 1.8864 1.8864 7.8104 7.8104 8.2918 8.2918 9.9609 9.9609 10.1815 10.1815 10.7108 10.7108 k = 0.5000-0.2889 0.5061 ( 6278 PWs) bands (ev): -12.1525 -12.1525 -11.8689 -11.8689 -11.4028 -11.4028 -11.3506 -11.3506 -11.1864 -11.1864 -11.0183 -11.0183 -2.9398 -2.9398 -2.2041 -2.2041 -1.6799 -1.6799 -1.0554 -1.0554 -0.8726 -0.8726 -0.7416 -0.7416 -0.3908 -0.3908 0.2022 0.2022 0.5902 0.5902 0.6030 0.6030 0.7734 0.7734 0.9794 0.9794 1.0122 1.0122 1.3039 1.3039 1.5071 1.5071 1.5656 1.5656 1.7245 1.7245 1.8864 1.8864 7.8104 7.8104 8.2918 8.2918 9.9609 9.9609 10.1815 10.1815 10.7108 10.7109 k = 0.5092-0.2730 0.5061 ( 6277 PWs) bands (ev): -12.1519 -12.1519 -11.8692 -11.8692 -11.4036 -11.4036 -11.3503 -11.3503 -11.1865 -11.1865 -11.0181 -11.0181 -2.9384 -2.9384 -2.2058 -2.2058 -1.6785 -1.6785 -1.0574 -1.0574 -0.8768 -0.8768 -0.7380 -0.7380 -0.3883 -0.3883 0.1987 0.1987 0.5831 0.5831 0.6069 0.6069 0.7779 0.7779 0.9794 0.9794 1.0134 1.0134 1.3035 1.3035 1.5065 1.5065 1.5665 1.5665 1.7257 1.7257 1.8869 1.8869 7.8107 7.8107 8.2872 8.2872 9.9623 9.9623 10.1810 10.1810 10.6871 10.6871 k = 0.5184-0.2572 0.5061 ( 6277 PWs) bands (ev): -12.1501 -12.1501 -11.8701 -11.8701 -11.4060 -11.4060 -11.3493 -11.3493 -11.1871 -11.1871 -11.0174 -11.0174 -2.9340 -2.9340 -2.2107 -2.2107 -1.6744 -1.6744 -1.0632 -1.0632 -0.8885 -0.8885 -0.7281 -0.7281 -0.3807 -0.3807 0.1884 0.1884 0.5668 0.5668 0.6143 0.6143 0.7902 0.7902 0.9796 0.9796 1.0170 1.0170 1.3026 1.3026 1.5048 1.5048 1.5693 1.5693 1.7291 1.7291 1.8883 1.8883 7.8115 7.8115 8.2737 8.2737 9.9663 9.9663 10.1793 10.1793 10.6554 10.6554 k = 0.5275-0.2413 0.5061 ( 6270 PWs) bands (ev): -12.1471 -12.1471 -11.8715 -11.8715 -11.4099 -11.4099 -11.3478 -11.3478 -11.1879 -11.1879 -11.0164 -11.0164 -2.9268 -2.9268 -2.2188 -2.2188 -1.6676 -1.6676 -1.0727 -1.0727 -0.9053 -0.9053 -0.7143 -0.7143 -0.3684 -0.3684 0.1721 0.1721 0.5447 0.5447 0.6241 0.6241 0.8075 0.8075 0.9799 0.9799 1.0229 1.0229 1.3012 1.3012 1.5021 1.5021 1.5736 1.5736 1.7348 1.7348 1.8905 1.8905 7.8128 7.8128 8.2519 8.2519 9.9718 9.9718 10.1764 10.1764 10.6228 10.6228 k = 0.5367-0.2254 0.5061 ( 6278 PWs) bands (ev): -12.1429 -12.1429 -11.8735 -11.8735 -11.4151 -11.4151 -11.3456 -11.3456 -11.1889 -11.1889 -11.0150 -11.0150 -2.9168 -2.9168 -2.2300 -2.2300 -1.6581 -1.6581 -1.0852 -1.0852 -0.9252 -0.9252 -0.6981 -0.6981 -0.3521 -0.3521 0.1507 0.1507 0.5188 0.5188 0.6359 0.6359 0.8275 0.8275 0.9803 0.9803 1.0309 1.0309 1.2997 1.2997 1.4985 1.4985 1.5792 1.5792 1.7425 1.7425 1.8934 1.8934 7.8146 7.8146 8.2229 8.2229 9.9772 9.9772 10.1721 10.1721 10.5899 10.5899 k = 0.5459-0.2095 0.5061 ( 6282 PWs) bands (ev): -12.1375 -12.1375 -11.8763 -11.8763 -11.4216 -11.4216 -11.3427 -11.3427 -11.1902 -11.1902 -11.0135 -11.0135 -2.9042 -2.9042 -2.2442 -2.2442 -1.6461 -1.6461 -1.1004 -1.1004 -0.9471 -0.9471 -0.6806 -0.6806 -0.3322 -0.3322 0.1252 0.1252 0.4902 0.4902 0.6490 0.6490 0.8485 0.8485 0.9808 0.9808 1.0407 1.0407 1.2983 1.2983 1.4943 1.4943 1.5860 1.5860 1.7522 1.7522 1.8967 1.8967 7.8168 7.8168 8.1880 8.1880 9.9807 9.9807 10.1662 10.1662 10.5572 10.5572 k = 0.5551-0.1936 0.5061 ( 6274 PWs) bands (ev): -12.1310 -12.1310 -11.8799 -11.8799 -11.4291 -11.4291 -11.3393 -11.3393 -11.1917 -11.1917 -11.0119 -11.0119 -2.8889 -2.8889 -2.2614 -2.2614 -1.6316 -1.6316 -1.1176 -1.1176 -0.9703 -0.9703 -0.6623 -0.6623 -0.3095 -0.3095 0.0965 0.0965 0.4598 0.4598 0.6629 0.6629 0.8697 0.8697 0.9814 0.9814 1.0522 1.0522 1.2973 1.2973 1.4897 1.4897 1.5935 1.5935 1.7635 1.7635 1.9001 1.9001 7.8194 7.8194 8.1486 8.1486 9.9809 9.9809 10.1584 10.1584 10.5254 10.5254 k = 0.5643-0.1777 0.5061 ( 6263 PWs) bands (ev): -12.1233 -12.1233 -11.8844 -11.8844 -11.4374 -11.4374 -11.3353 -11.3353 -11.1933 -11.1933 -11.0104 -11.0104 -2.8713 -2.8713 -2.2813 -2.2813 -1.6147 -1.6147 -1.1366 -1.1366 -0.9941 -0.9941 -0.6432 -0.6432 -0.2846 -0.2846 0.0654 0.0654 0.4283 0.4283 0.6770 0.6770 0.8901 0.8901 0.9823 0.9823 1.0649 1.0649 1.2970 1.2970 1.4848 1.4848 1.6018 1.6018 1.7762 1.7762 1.9035 1.9035 7.8224 7.8224 8.1059 8.1059 9.9766 9.9766 10.1484 10.1484 10.4949 10.4949 k = 0.5735-0.1618 0.5061 ( 6269 PWs) bands (ev): -12.1145 -12.1145 -11.8900 -11.8900 -11.4462 -11.4462 -11.3307 -11.3307 -11.1950 -11.1950 -11.0089 -11.0089 -2.8514 -2.8514 -2.3037 -2.3037 -1.5957 -1.5957 -1.1568 -1.1568 -1.0183 -1.0183 -0.6234 -0.6234 -0.2582 -0.2582 0.0325 0.0325 0.3958 0.3958 0.6910 0.6910 0.9093 0.9093 0.9837 0.9837 1.0785 1.0785 1.2975 1.2975 1.4797 1.4797 1.6106 1.6106 1.7898 1.7898 1.9066 1.9066 7.8257 7.8257 8.0613 8.0613 9.9674 9.9674 10.1358 10.1358 10.4665 10.4665 k = 0.5826-0.1459 0.5061 ( 6267 PWs) bands (ev): -12.1045 -12.1045 -11.8967 -11.8967 -11.4552 -11.4552 -11.3255 -11.3255 -11.1968 -11.1968 -11.0076 -11.0076 -2.8295 -2.8295 -2.3285 -2.3285 -1.5748 -1.5748 -1.1780 -1.1780 -1.0424 -1.0424 -0.6028 -0.6028 -0.2308 -0.2308 -0.0014 -0.0014 0.3627 0.3627 0.7047 0.7047 0.9265 0.9265 0.9860 0.9860 1.0929 1.0929 1.2990 1.2990 1.4748 1.4748 1.6199 1.6199 1.8040 1.8040 1.9093 1.9093 7.8292 7.8292 8.0160 8.0160 9.9536 9.9536 10.1204 10.1204 10.4405 10.4405 k = 0.5918-0.1300 0.5061 ( 6263 PWs) bands (ev): -12.0935 -12.0935 -11.9047 -11.9047 -11.4641 -11.4641 -11.3197 -11.3197 -11.1987 -11.1987 -11.0066 -11.0066 -2.8058 -2.8058 -2.3555 -2.3555 -1.5522 -1.5522 -1.1999 -1.1999 -1.0662 -1.0662 -0.5814 -0.5814 -0.2030 -0.2030 -0.0357 -0.0357 0.3292 0.3292 0.7178 0.7178 0.9406 0.9406 0.9900 0.9900 1.1076 1.1076 1.3013 1.3013 1.4700 1.4700 1.6296 1.6296 1.8185 1.8185 1.9112 1.9112 7.8330 7.8330 7.9708 7.9708 9.9363 9.9363 10.1021 10.1021 10.4174 10.4174 k = 0.6010-0.1141 0.5061 ( 6269 PWs) bands (ev): -12.0813 -12.0813 -11.9142 -11.9142 -11.4728 -11.4728 -11.3135 -11.3135 -11.2008 -11.2008 -11.0058 -11.0058 -2.7805 -2.7805 -2.3844 -2.3844 -1.5282 -1.5282 -1.2223 -1.2223 -1.0891 -1.0891 -0.5589 -0.5589 -0.1755 -0.1755 -0.0698 -0.0698 0.2955 0.2955 0.7302 0.7302 0.9507 0.9507 0.9965 0.9965 1.1225 1.1225 1.3044 1.3044 1.4657 1.4657 1.6396 1.6396 1.8328 1.8328 1.9124 1.9124 7.8369 7.8369 7.9268 7.9268 9.9167 9.9167 10.0812 10.0812 10.3972 10.3972 k = 0.6102-0.0982 0.5061 ( 6277 PWs) bands (ev): -12.0682 -12.0682 -11.9251 -11.9251 -11.4808 -11.4808 -11.3067 -11.3067 -11.2032 -11.2032 -11.0053 -11.0053 -2.7540 -2.7540 -2.4150 -2.4150 -1.5033 -1.5033 -1.2450 -1.2450 -1.1107 -1.1107 -0.5355 -0.5355 -0.1499 -0.1499 -0.1018 -0.1018 0.2617 0.2617 0.7420 0.7420 0.9566 0.9566 1.0055 1.0055 1.1373 1.1373 1.3082 1.3082 1.4617 1.4617 1.6499 1.6499 1.8466 1.8466 1.9129 1.9129 7.8409 7.8409 7.8848 7.8848 9.8964 9.8964 10.0580 10.0580 10.3797 10.3797 k = 0.7228 0.0967 0.1766 ( 6290 PWs) bands (ev): -12.1305 -12.1305 -11.8958 -11.8958 -11.5175 -11.5175 -11.3282 -11.3282 -11.1139 -11.1139 -10.9775 -10.9775 -2.7605 -2.7605 -2.3867 -2.3867 -1.6591 -1.6591 -1.5176 -1.5176 -1.0083 -1.0083 -0.5147 -0.5147 -0.3877 -0.3877 0.0807 0.0807 0.1550 0.1550 0.7380 0.7380 0.9778 0.9778 1.1246 1.1246 1.2307 1.2307 1.3523 1.3523 1.5961 1.5961 1.7614 1.7614 1.9474 1.9474 1.9819 1.9819 7.7324 7.7324 7.8428 7.8428 9.6600 9.6600 9.6901 9.6901 10.3189 10.3189 k = 0.7200 0.0918 0.1595 ( 6298 PWs) bands (ev): -12.1248 -12.1248 -11.9065 -11.9065 -11.5193 -11.5193 -11.3227 -11.3227 -11.1123 -11.1123 -10.9769 -10.9769 -2.7429 -2.7429 -2.3938 -2.3938 -1.6533 -1.6533 -1.5059 -1.5059 -1.0414 -1.0414 -0.5319 -0.5319 -0.3750 -0.3750 0.0811 0.0811 0.1281 0.1281 0.7532 0.7532 0.9823 0.9823 1.1327 1.1327 1.2180 1.2180 1.3668 1.3668 1.6005 1.6005 1.7551 1.7551 1.9465 1.9465 1.9797 1.9797 7.7491 7.7491 7.8371 7.8371 9.6729 9.6729 9.6918 9.6918 10.2876 10.2876 k = 0.7172 0.0869 0.1424 ( 6297 PWs) bands (ev): -12.1197 -12.1197 -11.9170 -11.9170 -11.5211 -11.5211 -11.3165 -11.3165 -11.1111 -11.1111 -10.9764 -10.9764 -2.7258 -2.7258 -2.4013 -2.4013 -1.6465 -1.6465 -1.4932 -1.4932 -1.0739 -1.0739 -0.5491 -0.5491 -0.3630 -0.3630 0.0792 0.0792 0.1027 0.1027 0.7701 0.7701 0.9869 0.9869 1.1411 1.1411 1.2050 1.2050 1.3813 1.3813 1.6037 1.6037 1.7493 1.7493 1.9445 1.9445 1.9765 1.9765 7.7660 7.7660 7.8320 7.8320 9.6838 9.6838 9.6965 9.6965 10.2615 10.2615 k = 0.7144 0.0820 0.1254 ( 6303 PWs) bands (ev): -12.1150 -12.1150 -11.9272 -11.9272 -11.5228 -11.5228 -11.3097 -11.3097 -11.1102 -11.1102 -10.9761 -10.9761 -2.7092 -2.7092 -2.4091 -2.4091 -1.6385 -1.6385 -1.4798 -1.4798 -1.1057 -1.1057 -0.5659 -0.5659 -0.3518 -0.3518 0.0619 0.0619 0.0920 0.0920 0.7874 0.7874 0.9915 0.9915 1.1497 1.1497 1.1922 1.1922 1.3956 1.3956 1.6055 1.6055 1.7440 1.7440 1.9416 1.9416 1.9725 1.9725 7.7829 7.7829 7.8273 7.8273 9.6915 9.6915 9.7037 9.7037 10.2429 10.2429 k = 0.7116 0.0772 0.1083 ( 6307 PWs) bands (ev): -12.1106 -12.1106 -11.9370 -11.9370 -11.5244 -11.5244 -11.3022 -11.3022 -11.1096 -11.1096 -10.9760 -10.9760 -2.6933 -2.6933 -2.4173 -2.4173 -1.6294 -1.6294 -1.4658 -1.4658 -1.1361 -1.1361 -0.5818 -0.5818 -0.3412 -0.3412 0.0334 0.0334 0.0922 0.0922 0.8039 0.8039 0.9961 0.9961 1.1585 1.1585 1.1805 1.1805 1.4095 1.4095 1.6059 1.6059 1.7393 1.7393 1.9380 1.9380 1.9677 1.9677 7.7997 7.7997 7.8233 7.8233 9.6946 9.6946 9.7130 9.7130 10.2336 10.2336 k = 0.7088 0.0723 0.0912 ( 6307 PWs) bands (ev): -12.1066 -12.1066 -11.9464 -11.9464 -11.5260 -11.5260 -11.2943 -11.2943 -11.1095 -11.1095 -10.9760 -10.9760 -2.6782 -2.6782 -2.4256 -2.4256 -1.6191 -1.6191 -1.4518 -1.4518 -1.1649 -1.1649 -0.5966 -0.5966 -0.3316 -0.3316 0.0035 0.0035 0.0942 0.0942 0.8182 0.8182 1.0006 1.0006 1.1654 1.1654 1.1727 1.1727 1.4225 1.4225 1.6046 1.6046 1.7352 1.7352 1.9338 1.9338 1.9623 1.9623 7.8149 7.8149 7.8214 7.8214 9.6918 9.6918 9.7245 9.7245 10.2345 10.2345 k = 0.7059 0.0674 0.0742 ( 6301 PWs) bands (ev): -12.1029 -12.1029 -11.9555 -11.9555 -11.5275 -11.5275 -11.2860 -11.2860 -11.1098 -11.1098 -10.9762 -10.9762 -2.6639 -2.6639 -2.4342 -2.4342 -1.6078 -1.6078 -1.4383 -1.4383 -1.1912 -1.1912 -0.6098 -0.6098 -0.3231 -0.3231 -0.0261 -0.0261 0.0965 0.0965 0.8289 0.8289 1.0048 1.0048 1.1609 1.1609 1.1792 1.1792 1.4345 1.4345 1.6017 1.6017 1.7317 1.7317 1.9293 1.9293 1.9565 1.9565 7.8157 7.8157 7.8343 7.8343 9.6830 9.6830 9.7381 9.7381 10.2459 10.2459 k = 0.7031 0.0626 0.0571 ( 6297 PWs) bands (ev): -12.0994 -12.0994 -11.9641 -11.9641 -11.5288 -11.5288 -11.2774 -11.2774 -11.1106 -11.1106 -10.9766 -10.9766 -2.6506 -2.6506 -2.4429 -2.4429 -1.5953 -1.5953 -1.4261 -1.4261 -1.2141 -1.2141 -0.6212 -0.6212 -0.3161 -0.3161 -0.0543 -0.0543 0.0989 0.0989 0.8350 0.8350 1.0088 1.0088 1.1565 1.1565 1.1892 1.1892 1.4452 1.4452 1.5969 1.5969 1.7288 1.7288 1.9246 1.9246 1.9505 1.9505 7.8134 7.8134 7.8505 7.8505 9.6691 9.6691 9.7532 9.7532 10.2669 10.2669 k = 0.7003 0.0577 0.0400 ( 6295 PWs) bands (ev): -12.0961 -12.0961 -11.9722 -11.9722 -11.5300 -11.5300 -11.2687 -11.2687 -11.1118 -11.1118 -10.9771 -10.9771 -2.6382 -2.6382 -2.4518 -2.4518 -1.5819 -1.5819 -1.4165 -1.4165 -1.2324 -1.2324 -0.6306 -0.6306 -0.3114 -0.3114 -0.0802 -0.0802 0.1013 0.1013 0.8356 0.8356 1.0125 1.0125 1.1557 1.1557 1.2000 1.2000 1.4543 1.4543 1.5902 1.5902 1.7264 1.7264 1.9200 1.9200 1.9447 1.9447 7.8116 7.8116 7.8666 7.8666 9.6517 9.6517 9.7695 9.7695 10.2959 10.2959 k = 0.6975 0.0528 0.0230 ( 6299 PWs) bands (ev): -12.0929 -12.0929 -11.9799 -11.9799 -11.5310 -11.5310 -11.2599 -11.2599 -11.1136 -11.1136 -10.9776 -10.9776 -2.6268 -2.6268 -2.4608 -2.4608 -1.5674 -1.5674 -1.4114 -1.4114 -1.2442 -1.2442 -0.6377 -0.6377 -0.3097 -0.3097 -0.1026 -0.1026 0.1036 0.1036 0.8306 0.8306 1.0159 1.0159 1.1587 1.1587 1.2112 1.2112 1.4617 1.4617 1.5816 1.5816 1.7243 1.7243 1.9153 1.9153 1.9394 1.9394 7.8103 7.8103 7.8823 7.8823 9.6325 9.6325 9.7865 9.7865 10.3313 10.3313 k = 0.6947 0.0479 0.0059 ( 6299 PWs) bands (ev): -12.0897 -12.0897 -11.9871 -11.9871 -11.5319 -11.5319 -11.2512 -11.2512 -11.1159 -11.1159 -10.9783 -10.9783 -2.6164 -2.6164 -2.4698 -2.4698 -1.5521 -1.5521 -1.4121 -1.4121 -1.2482 -1.2482 -0.6425 -0.6425 -0.3122 -0.3122 -0.1204 -0.1204 0.1058 0.1058 0.8202 0.8202 1.0188 1.0188 1.1650 1.1650 1.2228 1.2228 1.4674 1.4674 1.5709 1.5709 1.7224 1.7224 1.9108 1.9108 1.9349 1.9349 7.8096 7.8096 7.8974 7.8974 9.6129 9.6129 9.8039 9.8039 10.3713 10.3713 k = 0.6919 0.0431-0.0112 ( 6291 PWs) bands (ev): -12.0865 -12.0865 -11.9939 -11.9939 -11.5326 -11.5326 -11.2427 -11.2427 -11.1188 -11.1188 -10.9791 -10.9791 -2.6070 -2.6070 -2.4788 -2.4788 -1.5359 -1.5359 -1.4186 -1.4186 -1.2445 -1.2445 -0.6449 -0.6449 -0.3194 -0.3194 -0.1327 -0.1327 0.1079 0.1079 0.8053 0.8053 1.0213 1.0213 1.1739 1.1739 1.2348 1.2348 1.4715 1.4715 1.5584 1.5584 1.7203 1.7203 1.9061 1.9061 1.9315 1.9315 7.8096 7.8096 7.9118 7.9118 9.5944 9.5944 9.8213 9.8213 10.4145 10.4145 k = 0.6890 0.0382-0.0282 ( 6305 PWs) bands (ev): -12.0833 -12.0833 -12.0002 -12.0002 -11.5330 -11.5330 -11.2346 -11.2346 -11.1222 -11.1222 -10.9799 -10.9799 -2.5985 -2.5985 -2.4878 -2.4878 -1.5192 -1.5192 -1.4293 -1.4293 -1.2347 -1.2347 -0.6447 -0.6447 -0.3314 -0.3314 -0.1393 -0.1393 0.1099 0.1099 0.7867 0.7867 1.0233 1.0233 1.1846 1.1846 1.2471 1.2471 1.4739 1.4739 1.5440 1.5440 1.7179 1.7179 1.9014 1.9014 1.9293 1.9293 7.8102 7.8102 7.9254 7.9254 9.5778 9.5778 9.8385 9.8385 10.4595 10.4595 k = 0.6862 0.0333-0.0453 ( 6298 PWs) bands (ev): -12.0800 -12.0800 -12.0059 -12.0059 -11.5332 -11.5332 -11.2268 -11.2268 -11.1261 -11.1261 -10.9807 -10.9807 -2.5910 -2.5910 -2.4967 -2.4967 -1.5020 -1.5020 -1.4421 -1.4421 -1.2207 -1.2207 -0.6419 -0.6419 -0.3473 -0.3473 -0.1412 -0.1412 0.1118 0.1118 0.7655 0.7655 1.0248 1.0248 1.1964 1.1964 1.2595 1.2595 1.4748 1.4748 1.5282 1.5282 1.7150 1.7150 1.8966 1.8966 1.9283 1.9283 7.8114 7.8114 7.9380 7.9380 9.5640 9.5640 9.8552 9.8552 10.5051 10.5051 k = 0.6834 0.0284-0.0624 ( 6288 PWs) bands (ev): -12.0766 -12.0766 -12.0112 -12.0112 -11.5332 -11.5332 -11.2195 -11.2195 -11.1306 -11.1306 -10.9816 -10.9816 -2.5843 -2.5843 -2.5056 -2.5056 -1.4856 -1.4856 -1.4544 -1.4544 -1.2043 -1.2043 -0.6365 -0.6365 -0.3656 -0.3656 -0.1395 -0.1395 0.1135 0.1135 0.7424 0.7424 1.0257 1.0257 1.2086 1.2086 1.2718 1.2718 1.4741 1.4741 1.5117 1.5117 1.7116 1.7116 1.8917 1.8917 1.9279 1.9279 7.8132 7.8132 7.9494 7.9494 9.5535 9.5535 9.8713 9.8713 10.5499 10.5499 k = 0.6806 0.0236-0.0794 ( 6298 PWs) bands (ev): -12.0730 -12.0730 -12.0161 -12.0161 -11.5330 -11.5330 -11.2127 -11.2127 -11.1356 -11.1356 -10.9824 -10.9824 -2.5784 -2.5784 -2.5145 -2.5145 -1.4786 -1.4786 -1.4569 -1.4569 -1.1867 -1.1867 -0.6287 -0.6287 -0.3852 -0.3852 -0.1354 -0.1354 0.1152 0.1152 0.7180 0.7180 1.0260 1.0260 1.2208 1.2208 1.2839 1.2839 1.4703 1.4703 1.4962 1.4962 1.7076 1.7076 1.8870 1.8870 1.9279 1.9279 7.8155 7.8155 7.9596 7.9596 9.5468 9.5468 9.8868 9.8868 10.5927 10.5927 k = 0.6778 0.0187-0.0965 ( 6292 PWs) bands (ev): -12.0692 -12.0692 -12.0204 -12.0204 -11.5326 -11.5326 -11.2066 -11.2066 -11.1411 -11.1411 -10.9832 -10.9832 -2.5732 -2.5732 -2.5232 -2.5232 -1.4878 -1.4878 -1.4421 -1.4421 -1.1686 -1.1686 -0.6183 -0.6183 -0.4050 -0.4050 -0.1300 -0.1300 0.1168 0.1168 0.6930 0.6930 1.0258 1.0258 1.2325 1.2325 1.2955 1.2955 1.4601 1.4601 1.4859 1.4859 1.7034 1.7034 1.8824 1.8824 1.9278 1.9278 7.8184 7.8184 7.9683 7.9683 9.5442 9.5442 9.9017 9.9017 10.6314 10.6314 k = 0.6750 0.0138-0.1136 ( 6298 PWs) bands (ev): -12.0651 -12.0651 -12.0243 -12.0243 -11.5319 -11.5319 -11.2012 -11.2012 -11.1471 -11.1471 -10.9839 -10.9839 -2.5686 -2.5686 -2.5319 -2.5319 -1.4991 -1.4991 -1.4239 -1.4239 -1.1507 -1.1507 -0.6056 -0.6056 -0.4243 -0.4243 -0.1239 -0.1239 0.1184 0.1184 0.6680 0.6680 1.0251 1.0251 1.2435 1.2435 1.3062 1.3062 1.4438 1.4438 1.4813 1.4813 1.6988 1.6988 1.8780 1.8780 1.9271 1.9271 7.8218 7.8218 7.9755 7.9755 9.5458 9.5458 9.9163 9.9163 10.6638 10.6638 k = 0.6721 0.0090-0.1306 ( 6298 PWs) bands (ev): -12.0609 -12.0609 -12.0277 -12.0277 -11.5310 -11.5310 -11.1965 -11.1965 -11.1536 -11.1536 -10.9846 -10.9846 -2.5644 -2.5644 -2.5405 -2.5405 -1.5097 -1.5097 -1.4051 -1.4051 -1.1335 -1.1335 -0.5906 -0.5906 -0.4425 -0.4425 -0.1177 -0.1177 0.1201 0.1201 0.6434 0.6434 1.0238 1.0238 1.2536 1.2536 1.3149 1.3149 1.4259 1.4259 1.4789 1.4789 1.6943 1.6943 1.8738 1.8738 1.9255 1.9255 7.8256 7.8256 7.9810 7.9810 9.5517 9.5517 9.9306 9.9306 10.6886 10.6886 k = 0.6693 0.0041-0.1477 ( 6298 PWs) bands (ev): -12.0564 -12.0564 -12.0308 -12.0308 -11.5299 -11.5299 -11.1925 -11.1925 -11.1605 -11.1605 -10.9851 -10.9851 -2.5607 -2.5607 -2.5489 -2.5489 -1.5188 -1.5188 -1.3864 -1.3864 -1.1174 -1.1174 -0.5734 -0.5734 -0.4594 -0.4594 -0.1116 -0.1116 0.1217 0.1217 0.6196 0.6196 1.0220 1.0220 1.2627 1.2627 1.3202 1.3202 1.4099 1.4099 1.4771 1.4771 1.6898 1.6898 1.8698 1.8698 1.9228 1.9228 7.8298 7.8298 7.9848 7.9848 9.5618 9.5618 9.9449 9.9449 10.7072 10.7072 k = 0.6665-0.0008-0.1648 ( 6289 PWs) bands (ev): -12.0516 -12.0516 -12.0334 -12.0334 -11.5285 -11.5285 -11.1893 -11.1893 -11.1679 -11.1679 -10.9856 -10.9856 -2.5590 -2.5590 -2.5555 -2.5555 -1.5265 -1.5265 -1.3680 -1.3680 -1.1027 -1.1027 -0.5543 -0.5543 -0.4745 -0.4745 -0.1059 -0.1059 0.1234 0.1234 0.5973 0.5973 1.0197 1.0197 1.2705 1.2705 1.3194 1.3194 1.3991 1.3991 1.4756 1.4756 1.6855 1.6855 1.8660 1.8660 1.9189 1.9189 7.8342 7.8342 7.9867 7.9867 9.5761 9.5761 9.9594 9.9594 10.7221 10.7221 k = 0.6665-0.0008-0.1648 ( 6289 PWs) bands (ev): -12.0516 -12.0516 -12.0334 -12.0334 -11.5285 -11.5285 -11.1893 -11.1893 -11.1679 -11.1679 -10.9856 -10.9856 -2.5590 -2.5590 -2.5555 -2.5555 -1.5265 -1.5265 -1.3680 -1.3680 -1.1027 -1.1027 -0.5543 -0.5543 -0.4745 -0.4745 -0.1059 -0.1059 0.1234 0.1234 0.5973 0.5973 1.0197 1.0197 1.2705 1.2705 1.3194 1.3194 1.3991 1.3991 1.4756 1.4756 1.6855 1.6855 1.8660 1.8660 1.9189 1.9189 7.8342 7.8342 7.9867 7.9867 9.5761 9.5761 9.9594 9.9594 10.7221 10.7221 k = 0.6582-0.0152-0.1565 ( 6285 PWs) bands (ev): -12.0531 -12.0531 -12.0337 -12.0337 -11.5295 -11.5295 -11.1825 -11.1825 -11.1726 -11.1726 -10.9839 -10.9839 -2.5885 -2.5885 -2.5283 -2.5283 -1.5580 -1.5580 -1.3539 -1.3539 -1.0918 -1.0918 -0.5474 -0.5474 -0.5036 -0.5036 -0.0930 -0.0930 0.1246 0.1246 0.6084 0.6084 1.0181 1.0181 1.2566 1.2566 1.3172 1.3172 1.4161 1.4161 1.4953 1.4953 1.6850 1.6850 1.8732 1.8732 1.9139 1.9139 7.8120 7.8120 7.9970 7.9970 9.5716 9.5716 9.9463 9.9463 10.6733 10.6733 k = 0.6499-0.0296-0.1483 ( 6283 PWs) bands (ev): -12.0720 -12.0720 -12.0173 -12.0173 -11.5293 -11.5293 -11.1772 -11.1772 -11.1758 -11.1758 -10.9822 -10.9822 -2.6208 -2.6208 -2.5011 -2.5011 -1.5887 -1.5887 -1.3393 -1.3393 -1.0809 -1.0809 -0.5454 -0.5454 -0.5286 -0.5286 -0.0770 -0.0770 0.1272 0.1272 0.6221 0.6221 1.0125 1.0125 1.2411 1.2411 1.3162 1.3162 1.4325 1.4325 1.5140 1.5140 1.6848 1.6848 1.8725 1.8725 1.9178 1.9178 7.7897 7.7897 8.0094 8.0094 9.5679 9.5679 9.9379 9.9379 10.6208 10.6208 k = 0.6415-0.0440-0.1400 ( 6291 PWs) bands (ev): -12.0901 -12.0901 -12.0023 -12.0023 -11.5279 -11.5279 -11.1815 -11.1815 -11.1692 -11.1692 -10.9808 -10.9808 -2.6541 -2.6541 -2.4752 -2.4752 -1.6184 -1.6184 -1.3242 -1.3242 -1.0705 -1.0705 -0.5628 -0.5628 -0.5345 -0.5345 -0.0587 -0.0587 0.1314 0.1314 0.6379 0.6379 1.0034 1.0034 1.2244 1.2244 1.3162 1.3162 1.4478 1.4478 1.5309 1.5309 1.6854 1.6854 1.8640 1.8640 1.9305 1.9305 7.7675 7.7675 8.0241 8.0241 9.5650 9.5650 9.9343 9.9343 10.5656 10.5656 k = 0.6332-0.0584-0.1318 ( 6296 PWs) bands (ev): -12.1073 -12.1073 -11.9888 -11.9888 -11.5254 -11.5254 -11.1857 -11.1857 -11.1629 -11.1629 -10.9795 -10.9795 -2.6880 -2.6880 -2.4508 -2.4508 -1.6468 -1.6468 -1.3083 -1.3083 -1.0611 -1.0611 -0.5858 -0.5858 -0.5343 -0.5343 -0.0391 -0.0391 0.1376 0.1376 0.6555 0.6555 0.9910 0.9910 1.2068 1.2068 1.3172 1.3172 1.4617 1.4617 1.5453 1.5453 1.6875 1.6875 1.8521 1.8521 1.9475 1.9475 7.7453 7.7453 8.0410 8.0410 9.5631 9.5631 9.9352 9.9352 10.5085 10.5085 k = 0.6249-0.0728-0.1236 ( 6295 PWs) bands (ev): -12.1237 -12.1237 -11.9770 -11.9770 -11.5216 -11.5216 -11.1896 -11.1896 -11.1567 -11.1567 -10.9785 -10.9785 -2.7222 -2.7222 -2.4279 -2.4279 -1.6740 -1.6740 -1.2914 -1.2914 -1.0529 -1.0529 -0.6062 -0.6062 -0.5359 -0.5359 -0.0186 -0.0186 0.1460 0.1460 0.6747 0.6747 0.9756 0.9756 1.1886 1.1886 1.3191 1.3191 1.4740 1.4740 1.5563 1.5563 1.6918 1.6918 1.8388 1.8388 1.9666 1.9666 7.7231 7.7231 8.0600 8.0600 9.5622 9.5622 9.9404 9.9404 10.4505 10.4505 k = 0.6166-0.0872-0.1153 ( 6298 PWs) bands (ev): -12.1392 -12.1392 -11.9666 -11.9666 -11.5169 -11.5169 -11.1933 -11.1933 -11.1507 -11.1507 -10.9777 -10.9777 -2.7563 -2.7563 -2.4067 -2.4067 -1.6997 -1.6997 -1.2735 -1.2735 -1.0464 -1.0464 -0.6232 -0.6232 -0.5401 -0.5401 0.0021 0.0021 0.1567 0.1567 0.6951 0.6951 0.9576 0.9576 1.1702 1.1702 1.3217 1.3217 1.4846 1.4846 1.5633 1.5633 1.6988 1.6988 1.8247 1.8247 1.9870 1.9870 7.7011 7.7011 8.0811 8.0811 9.5622 9.5622 9.9497 9.9497 10.3924 10.3924 k = 0.6082-0.1016-0.1071 ( 6309 PWs) bands (ev): -12.1537 -12.1537 -11.9577 -11.9577 -11.5112 -11.5112 -11.1967 -11.1967 -11.1450 -11.1450 -10.9772 -10.9772 -2.7897 -2.7897 -2.3871 -2.3871 -1.7240 -1.7240 -1.2544 -1.2544 -1.0419 -1.0419 -0.6362 -0.6362 -0.5469 -0.5469 0.0227 0.0227 0.1698 0.1698 0.7163 0.7163 0.9374 0.9374 1.1518 1.1518 1.3249 1.3249 1.4934 1.4934 1.5661 1.5661 1.7084 1.7084 1.8106 1.8106 2.0081 2.0081 7.6794 7.6794 8.1041 8.1041 9.5632 9.5632 9.9630 9.9630 10.3348 10.3348 k = 0.5999-0.1160-0.0989 ( 6307 PWs) bands (ev): -12.1673 -12.1673 -11.9502 -11.9502 -11.5048 -11.5048 -11.1999 -11.1999 -11.1394 -11.1394 -10.9769 -10.9769 -2.8222 -2.8222 -2.3694 -2.3694 -1.7467 -1.7467 -1.2340 -1.2340 -1.0396 -1.0396 -0.6450 -0.6450 -0.5565 -0.5565 0.0429 0.0429 0.1853 0.1853 0.7379 0.7379 0.9152 0.9152 1.1339 1.1339 1.3284 1.3284 1.5006 1.5006 1.5651 1.5651 1.7201 1.7201 1.7966 1.7966 2.0294 2.0294 7.6581 7.6581 8.1285 8.1285 9.5652 9.5652 9.9801 9.9801 10.2785 10.2785 k = 0.5916-0.1305-0.0906 ( 6301 PWs) bands (ev): -12.1799 -12.1799 -11.9440 -11.9440 -11.4978 -11.4978 -11.2029 -11.2029 -11.1340 -11.1340 -10.9768 -10.9768 -2.8533 -2.8533 -2.3534 -2.3534 -1.7679 -1.7679 -1.2124 -1.2124 -1.0394 -1.0394 -0.6500 -0.6500 -0.5689 -0.5689 0.0623 0.0623 0.2032 0.2032 0.7595 0.7595 0.8913 0.8913 1.1168 1.1168 1.3322 1.3322 1.5063 1.5063 1.5611 1.5611 1.7328 1.7328 1.7834 1.7834 2.0504 2.0504 7.6374 7.6374 8.1540 8.1540 9.5682 9.5682 10.0006 10.0006 10.2240 10.2240 k = 0.5833-0.1449-0.0824 ( 6305 PWs) bands (ev): -12.1915 -12.1915 -11.9390 -11.9390 -11.4905 -11.4905 -11.2056 -11.2056 -11.1289 -11.1289 -10.9770 -10.9770 -2.8829 -2.8829 -2.3392 -2.3392 -1.7874 -1.7874 -1.1897 -1.1897 -1.0410 -1.0410 -0.6513 -0.6513 -0.5838 -0.5838 0.0806 0.0806 0.2232 0.2232 0.7806 0.7806 0.8661 0.8661 1.1007 1.1007 1.3361 1.3361 1.5105 1.5105 1.5547 1.5547 1.7448 1.7448 1.7721 1.7721 2.0709 2.0709 7.6174 7.6174 8.1803 8.1803 9.5722 9.5722 10.0244 10.0244 10.1719 10.1719 k = 0.5749-0.1593-0.0741 ( 6303 PWs) bands (ev): -12.2020 -12.2020 -11.9349 -11.9349 -11.4831 -11.4831 -11.2081 -11.2081 -11.1241 -11.1241 -10.9774 -10.9774 -2.9104 -2.9104 -2.3266 -2.3266 -1.8052 -1.8052 -1.1661 -1.1661 -1.0440 -1.0440 -0.6497 -0.6497 -0.6009 -0.6009 0.0977 0.0977 0.2451 0.2451 0.8006 0.8006 0.8398 0.8398 1.0862 1.0862 1.3400 1.3400 1.5135 1.5135 1.5465 1.5465 1.7496 1.7496 1.7689 1.7689 2.0905 2.0905 7.5985 7.5985 8.2068 8.2068 9.5771 9.5771 10.0514 10.0514 10.1226 10.1226 k = 0.5666-0.1737-0.0659 ( 6301 PWs) bands (ev): -12.2115 -12.2115 -11.9317 -11.9317 -11.4757 -11.4757 -11.2103 -11.2103 -11.1196 -11.1196 -10.9780 -10.9780 -2.9358 -2.9358 -2.3158 -2.3158 -1.8213 -1.8213 -1.1419 -1.1419 -1.0476 -1.0476 -0.6461 -0.6461 -0.6198 -0.6198 0.1133 0.1133 0.2687 0.2687 0.8105 0.8105 0.8215 0.8215 1.0734 1.0734 1.3438 1.3438 1.5154 1.5154 1.5371 1.5371 1.7426 1.7426 1.7781 1.7781 2.1089 2.1089 7.5808 7.5808 8.2329 8.2329 9.5829 9.5829 10.0757 10.0757 10.0822 10.0822 k = 0.5583-0.1881-0.0577 ( 6305 PWs) bands (ev): -12.2199 -12.2199 -11.9292 -11.9292 -11.4687 -11.4687 -11.2123 -11.2123 -11.1154 -11.1154 -10.9788 -10.9788 -2.9587 -2.9587 -2.3065 -2.3065 -1.8357 -1.8357 -1.1183 -1.1183 -1.0505 -1.0505 -0.6463 -0.6463 -0.6351 -0.6351 0.1272 0.1272 0.2935 0.2935 0.7839 0.7839 0.8373 0.8373 1.0628 1.0628 1.3474 1.3474 1.5165 1.5165 1.5270 1.5270 1.7336 1.7336 1.7896 1.7896 2.1257 2.1257 7.5645 7.5645 8.2581 8.2581 9.5893 9.5893 10.0340 10.0340 10.1141 10.1141 k = 0.5500-0.2025-0.0494 ( 6305 PWs) bands (ev): -12.2272 -12.2272 -11.9273 -11.9273 -11.4623 -11.4623 -11.2140 -11.2140 -11.1116 -11.1116 -10.9796 -10.9796 -2.9790 -2.9790 -2.2987 -2.2987 -1.8482 -1.8482 -1.0979 -1.0979 -1.0497 -1.0497 -0.6656 -0.6656 -0.6318 -0.6318 0.1394 0.1394 0.3193 0.3193 0.7559 0.7559 0.8520 0.8520 1.0545 1.0545 1.3507 1.3507 1.5163 1.5163 1.5173 1.5173 1.7254 1.7254 1.8004 1.8004 2.1408 2.1408 7.5498 7.5498 8.2817 8.2817 9.5964 9.5964 9.9955 9.9955 10.1494 10.1494 k = 0.5416-0.2169-0.0412 ( 6297 PWs) bands (ev): -12.2334 -12.2334 -11.9258 -11.9258 -11.4565 -11.4565 -11.2154 -11.2154 -11.1082 -11.1082 -10.9805 -10.9805 -2.9965 -2.9965 -2.2923 -2.2923 -1.8588 -1.8588 -1.0865 -1.0865 -1.0399 -1.0399 -0.6885 -0.6885 -0.6255 -0.6255 0.1497 0.1497 0.3453 0.3453 0.7281 0.7281 0.8642 0.8642 1.0486 1.0486 1.3537 1.3537 1.5066 1.5066 1.5169 1.5169 1.7183 1.7183 1.8100 1.8100 2.1540 2.1540 7.5370 7.5370 8.3030 8.3030 9.6038 9.6038 9.9613 9.9613 10.1871 10.1871 k = 0.5333-0.2313-0.0330 ( 6297 PWs) bands (ev): -12.2385 -12.2385 -11.9248 -11.9248 -11.4515 -11.4515 -11.2166 -11.2166 -11.1053 -11.1053 -10.9813 -10.9813 -3.0109 -3.0109 -2.2872 -2.2872 -1.8676 -1.8676 -1.0842 -1.0842 -1.0208 -1.0208 -0.7117 -0.7117 -0.6193 -0.6193 0.1581 0.1581 0.3709 0.3709 0.7011 0.7011 0.8738 0.8738 1.0449 1.0449 1.3562 1.3562 1.4974 1.4974 1.5166 1.5166 1.7125 1.7125 1.8182 1.8182 2.1650 2.1650 7.5263 7.5263 8.3214 8.3214 9.6112 9.6112 9.9320 9.9320 10.2268 10.2268 k = 0.5250-0.2457-0.0247 ( 6299 PWs) bands (ev): -12.2425 -12.2425 -11.9241 -11.9241 -11.4475 -11.4475 -11.2175 -11.2175 -11.1030 -11.1030 -10.9821 -10.9821 -3.0223 -3.0223 -2.2833 -2.2833 -1.8745 -1.8745 -1.0854 -1.0854 -0.9993 -0.9993 -0.7339 -0.7339 -0.6138 -0.6138 0.1646 0.1646 0.3949 0.3949 0.6761 0.6761 0.8807 0.8807 1.0430 1.0430 1.3583 1.3583 1.4896 1.4896 1.5161 1.5161 1.7079 1.7079 1.8247 1.8247 2.1737 2.1737 7.5177 7.5177 8.3365 8.3365 9.6180 9.6180 9.9080 9.9080 10.2678 10.2678 k = 0.5167-0.2601-0.0165 ( 6293 PWs) bands (ev): -12.2453 -12.2453 -11.9236 -11.9236 -11.4446 -11.4446 -11.2182 -11.2182 -11.1013 -11.1013 -10.9826 -10.9826 -3.0305 -3.0305 -2.2806 -2.2806 -1.8794 -1.8794 -1.0872 -1.0872 -0.9797 -0.9797 -0.7532 -0.7532 -0.6097 -0.6097 0.1692 0.1692 0.4156 0.4156 0.6548 0.6548 0.8853 0.8853 1.0423 1.0423 1.3598 1.3598 1.4837 1.4837 1.5157 1.5157 1.7047 1.7047 1.8294 1.8294 2.1800 2.1800 7.5115 7.5115 8.3476 8.3476 9.6237 9.6237 9.8900 9.8900 10.3081 10.3081 k = 0.5083-0.2745-0.0082 ( 6293 PWs) bands (ev): -12.2470 -12.2470 -11.9233 -11.9233 -11.4429 -11.4429 -11.2186 -11.2186 -11.1003 -11.1003 -10.9830 -10.9830 -3.0355 -3.0355 -2.2790 -2.2790 -1.8823 -1.8823 -1.0885 -1.0885 -0.9655 -0.9655 -0.7671 -0.7671 -0.6071 -0.6071 0.1719 0.1719 0.4302 0.4302 0.6397 0.6397 0.8879 0.8879 1.0422 1.0422 1.3607 1.3607 1.4799 1.4799 1.5154 1.5154 1.7028 1.7028 1.8323 1.8323 2.1838 2.1838 7.5078 7.5078 8.3544 8.3544 9.6275 9.6275 9.8788 9.8788 10.3424 10.3424 k = 0.5000-0.2889 0.0000 ( 6296 PWs) bands (ev): -12.2476 -12.2476 -11.9232 -11.9232 -11.4423 -11.4423 -11.2187 -11.2187 -11.0999 -11.0999 -10.9831 -10.9831 -3.0371 -3.0371 -2.2784 -2.2784 -1.8833 -1.8833 -1.0889 -1.0889 -0.9602 -0.9602 -0.7722 -0.7722 -0.6062 -0.6062 0.1728 0.1728 0.4356 0.4356 0.6342 0.6342 0.8887 0.8887 1.0422 1.0422 1.3610 1.3610 1.4786 1.4786 1.5153 1.5153 1.7021 1.7021 1.8332 1.8332 2.1851 2.1851 7.5065 7.5065 8.3567 8.3567 9.6288 9.6288 9.8750 9.8750 10.3578 10.3578 k = 0.5000-0.2889 0.0000 ( 6296 PWs) bands (ev): -12.2476 -12.2476 -11.9232 -11.9232 -11.4423 -11.4423 -11.2187 -11.2187 -11.0999 -11.0999 -10.9831 -10.9831 -3.0371 -3.0371 -2.2784 -2.2784 -1.8833 -1.8833 -1.0889 -1.0889 -0.9602 -0.9602 -0.7722 -0.7722 -0.6062 -0.6062 0.1728 0.1728 0.4356 0.4356 0.6342 0.6342 0.8887 0.8887 1.0422 1.0422 1.3610 1.3610 1.4786 1.4786 1.5153 1.5153 1.7021 1.7021 1.8332 1.8332 2.1851 2.1851 7.5065 7.5065 8.3567 8.3567 9.6288 9.6288 9.8750 9.8750 10.3578 10.3578 k = 0.4839-0.2796-0.0000 ( 6304 PWs) bands (ev): -12.2508 -12.2508 -11.9197 -11.9197 -11.4420 -11.4420 -11.2201 -11.2201 -11.0987 -11.0987 -10.9831 -10.9831 -3.0381 -3.0381 -2.2793 -2.2793 -1.8829 -1.8829 -1.0888 -1.0888 -0.9670 -0.9670 -0.7758 -0.7758 -0.5972 -0.5972 0.1788 0.1788 0.4350 0.4350 0.6276 0.6276 0.8923 0.8923 1.0432 1.0432 1.3583 1.3583 1.4801 1.4801 1.5145 1.5145 1.7031 1.7031 1.8333 1.8333 2.1841 2.1841 7.5083 7.5083 8.3560 8.3560 9.6326 9.6326 9.8783 9.8783 10.3566 10.3566 k = 0.4677-0.2703 0.0000 ( 6300 PWs) bands (ev): -12.2599 -12.2599 -11.9095 -11.9095 -11.4412 -11.4412 -11.2241 -11.2241 -11.0954 -11.0954 -10.9829 -10.9829 -3.0411 -3.0411 -2.2819 -2.2819 -1.8815 -1.8815 -1.0884 -1.0884 -0.9851 -0.9851 -0.7861 -0.7861 -0.5720 -0.5720 0.1962 0.1962 0.4334 0.4334 0.6090 0.6090 0.9021 0.9021 1.0459 1.0459 1.3506 1.3506 1.4838 1.4838 1.5129 1.5129 1.7059 1.7059 1.8335 1.8335 2.1813 2.1813 7.5135 7.5135 8.3540 8.3540 9.6437 9.6437 9.8881 9.8881 10.3530 10.3530 k = 0.4516-0.2610-0.0000 ( 6306 PWs) bands (ev): -12.2740 -12.2740 -11.8937 -11.8937 -11.4400 -11.4400 -11.2303 -11.2303 -11.0903 -11.0903 -10.9826 -10.9826 -3.0461 -3.0461 -2.2860 -2.2860 -1.8792 -1.8792 -1.0887 -1.0887 -1.0099 -1.0099 -0.8025 -0.8025 -0.5349 -0.5349 0.2238 0.2238 0.4315 0.4315 0.5808 0.5808 0.9161 0.9161 1.0499 1.0499 1.3383 1.3383 1.4857 1.4857 1.5139 1.5139 1.7102 1.7102 1.8339 1.8339 2.1767 2.1767 7.5221 7.5221 8.3505 8.3505 9.6621 9.6621 9.9043 9.9043 10.3468 10.3468 k = 0.4355-0.2517 0.0000 ( 6305 PWs) bands (ev): -12.2919 -12.2919 -11.8735 -11.8735 -11.4382 -11.4382 -11.2382 -11.2382 -11.0839 -11.0839 -10.9822 -10.9822 -3.0530 -3.0530 -2.2916 -2.2916 -1.8760 -1.8760 -1.0915 -1.0915 -1.0357 -1.0357 -0.8238 -0.8238 -0.4898 -0.4898 0.2594 0.2594 0.4304 0.4304 0.5455 0.5455 0.9325 0.9325 1.0545 1.0545 1.3226 1.3226 1.4809 1.4809 1.5219 1.5219 1.7156 1.7156 1.8344 1.8344 2.1706 2.1706 7.5337 7.5337 8.3456 8.3456 9.6875 9.6875 9.9266 9.9266 10.3380 10.3380 k = 0.4194-0.2423 0.0000 ( 6303 PWs) bands (ev): -12.3122 -12.3122 -11.8501 -11.8501 -11.4360 -11.4360 -11.2472 -11.2472 -11.0768 -11.0768 -10.9818 -10.9818 -3.0618 -3.0618 -2.2984 -2.2984 -1.8719 -1.8719 -1.1027 -1.1027 -1.0545 -1.0545 -0.8486 -0.8486 -0.4394 -0.4394 0.2989 0.2989 0.4330 0.4330 0.5053 0.5053 0.9501 0.9501 1.0584 1.0584 1.3048 1.3048 1.4701 1.4701 1.5355 1.5355 1.7218 1.7218 1.8352 1.8352 2.1631 2.1631 7.5481 7.5481 8.3392 8.3392 9.7197 9.7197 9.9543 9.9543 10.3056 10.3056 k = 0.4032-0.2330-0.0000 ( 6305 PWs) bands (ev): -12.3343 -12.3343 -11.8244 -11.8244 -11.4333 -11.4333 -11.2570 -11.2570 -11.0693 -11.0693 -10.9812 -10.9812 -3.0724 -3.0724 -2.3061 -2.3061 -1.8669 -1.8669 -1.1252 -1.1252 -1.0620 -1.0620 -0.8756 -0.8756 -0.3859 -0.3859 0.3344 0.3344 0.4443 0.4443 0.4638 0.4638 0.9684 0.9684 1.0601 1.0601 1.2867 1.2867 1.4554 1.4554 1.5518 1.5518 1.7284 1.7284 1.8362 1.8362 2.1545 2.1545 7.5648 7.5648 8.3313 8.3313 9.7584 9.7584 9.9867 9.9867 10.2554 10.2554 k = 0.3871-0.2237 0.0000 ( 6299 PWs) bands (ev): -12.3573 -12.3573 -11.7971 -11.7971 -11.4303 -11.4303 -11.2673 -11.2673 -11.0617 -11.0617 -10.9805 -10.9805 -3.0849 -3.0849 -2.3146 -2.3146 -1.8610 -1.8610 -1.1526 -1.1526 -1.0640 -1.0640 -0.9038 -0.9038 -0.3307 -0.3307 0.3534 0.3534 0.4166 0.4166 0.4815 0.4815 0.9870 0.9870 1.0576 1.0576 1.2706 1.2706 1.4378 1.4378 1.5691 1.5691 1.7351 1.7351 1.8377 1.8377 2.1451 2.1451 7.5832 7.5832 8.3217 8.3217 9.8029 9.8029 10.0211 10.0211 10.2098 10.2098 k = 0.3710-0.2144-0.0000 ( 6297 PWs) bands (ev): -12.3809 -12.3809 -11.7688 -11.7688 -11.4269 -11.4269 -11.2778 -11.2778 -11.0541 -11.0541 -10.9798 -10.9798 -3.0990 -3.0990 -2.3235 -2.3235 -1.8543 -1.8543 -1.1803 -1.1803 -1.0653 -1.0653 -0.9317 -0.9317 -0.2751 -0.2751 0.3444 0.3444 0.3868 0.3868 0.5338 0.5338 1.0055 1.0055 1.0495 1.0495 1.2585 1.2585 1.4178 1.4178 1.5861 1.5861 1.7417 1.7417 1.8398 1.8398 2.1353 2.1353 7.6029 7.6029 8.3103 8.3103 9.8526 9.8526 10.0499 10.0499 10.1771 10.1771 k = 0.3548-0.2051 0.0000 ( 6289 PWs) bands (ev): -12.4045 -12.4045 -11.7398 -11.7398 -11.4232 -11.4232 -11.2883 -11.2883 -11.0467 -11.0467 -10.9791 -10.9791 -3.1146 -3.1146 -2.3327 -2.3327 -1.8467 -1.8467 -1.2066 -1.2066 -1.0680 -1.0680 -0.9581 -0.9581 -0.2209 -0.2209 0.3052 0.3052 0.3812 0.3812 0.5971 0.5971 1.0193 1.0193 1.0389 1.0389 1.2517 1.2517 1.3957 1.3957 1.6018 1.6018 1.7481 1.7481 1.8430 1.8430 2.1254 2.1254 7.6233 7.6233 8.2970 8.2970 9.9067 9.9067 10.0527 10.0527 10.1778 10.1778 k = 0.3387-0.1957 0.0000 ( 6281 PWs) bands (ev): -12.4280 -12.4280 -11.7105 -11.7105 -11.4194 -11.4194 -11.2987 -11.2987 -11.0396 -11.0396 -10.9783 -10.9783 -3.1317 -3.1317 -2.3419 -2.3419 -1.8383 -1.8383 -1.2308 -1.2308 -1.0741 -1.0741 -0.9811 -0.9811 -0.1703 -0.1703 0.2609 0.2609 0.3817 0.3817 0.6661 0.6661 1.0052 1.0052 1.0494 1.0494 1.2502 1.2502 1.3720 1.3720 1.6153 1.6153 1.7543 1.7543 1.8475 1.8475 2.1155 2.1155 7.6438 7.6438 8.2814 8.2814 9.9635 9.9635 10.0279 10.0279 10.2136 10.2136 k = 0.3226-0.1864-0.0000 ( 6285 PWs) bands (ev): -12.4512 -12.4512 -11.6811 -11.6811 -11.4156 -11.4156 -11.3086 -11.3086 -11.0330 -11.0330 -10.9776 -10.9776 -3.1499 -3.1499 -2.3511 -2.3511 -1.8290 -1.8290 -1.2525 -1.2525 -1.0857 -1.0857 -0.9984 -0.9984 -0.1275 -0.1275 0.2215 0.2215 0.3841 0.3841 0.7377 0.7377 0.9780 0.9780 1.0681 1.0681 1.2527 1.2527 1.3472 1.3472 1.6260 1.6260 1.7602 1.7602 1.8536 1.8536 2.1061 2.1061 7.6637 7.6637 8.2635 8.2635 9.9953 9.9953 10.0198 10.0198 10.1913 10.1913 k = 0.3065-0.1771 0.0000 ( 6275 PWs) bands (ev): -12.4738 -12.4738 -11.6519 -11.6519 -11.4119 -11.4119 -11.3179 -11.3179 -11.0268 -11.0268 -10.9768 -10.9768 -3.1691 -3.1691 -2.3600 -2.3600 -1.8188 -1.8188 -1.2717 -1.2717 -1.1034 -1.1034 -1.0094 -1.0094 -0.0996 -0.0996 0.1950 0.1950 0.3881 0.3881 0.8082 0.8082 0.9489 0.9489 1.0870 1.0870 1.2576 1.2576 1.3224 1.3224 1.6334 1.6334 1.7658 1.7658 1.8615 1.8615 2.0974 2.0974 7.6825 7.6825 8.2430 8.2430 9.9653 9.9653 10.0593 10.0593 10.1789 10.1789 k = 0.2903-0.1678-0.0000 ( 6277 PWs) bands (ev): -12.4957 -12.4957 -11.6230 -11.6230 -11.4087 -11.4087 -11.3261 -11.3261 -11.0211 -11.0211 -10.9761 -10.9761 -3.1890 -3.1890 -2.3686 -2.3686 -1.8078 -1.8078 -1.2881 -1.2881 -1.1256 -1.1256 -1.0154 -1.0154 -0.0956 -0.0956 0.1904 0.1904 0.3936 0.3936 0.8609 0.8609 0.9357 0.9357 1.1045 1.1045 1.2632 1.2632 1.2995 1.2995 1.6378 1.6378 1.7713 1.7713 1.8710 1.8710 2.0894 2.0894 7.6998 7.6998 8.2197 8.2197 9.9397 9.9397 10.0545 10.0545 10.2094 10.2094 k = 0.2742-0.1585 0.0000 ( 6277 PWs) bands (ev): -12.5169 -12.5169 -11.5946 -11.5946 -11.4064 -11.4064 -11.3331 -11.3331 -11.0159 -11.0159 -10.9754 -10.9754 -3.2095 -3.2095 -2.3768 -2.3768 -1.7959 -1.7959 -1.3019 -1.3019 -1.1503 -1.1503 -1.0183 -1.0183 -0.1170 -0.1170 0.2096 0.2096 0.4002 0.4002 0.8525 0.8525 0.9816 0.9816 1.1185 1.1185 1.2645 1.2645 1.2855 1.2855 1.6395 1.6395 1.7766 1.7766 1.8818 1.8818 2.0822 2.0822 7.7152 7.7152 8.1934 8.1934 9.9201 9.9201 10.0187 10.0187 10.2689 10.2689 k = 0.2581-0.1491-0.0000 ( 6275 PWs) bands (ev): -12.5372 -12.5372 -11.5668 -11.5668 -11.4053 -11.4053 -11.3381 -11.3381 -11.0113 -11.0113 -10.9748 -10.9748 -3.2302 -3.2302 -2.3847 -2.3847 -1.7832 -1.7832 -1.3132 -1.3132 -1.1758 -1.1758 -1.0194 -1.0194 -0.1561 -0.1561 0.2444 0.2444 0.4075 0.4075 0.8209 0.8209 1.0481 1.0481 1.1253 1.1253 1.2566 1.2566 1.2892 1.2892 1.6395 1.6395 1.7818 1.7818 1.8932 1.8932 2.0760 2.0760 7.7284 7.7284 8.1641 8.1641 9.9072 9.9072 9.9718 9.9718 10.3367 10.3367 k = 0.2419-0.1398-0.0000 ( 6281 PWs) bands (ev): -12.5565 -12.5565 -11.5399 -11.5399 -11.4060 -11.4060 -11.3410 -11.3410 -11.0073 -11.0073 -10.9743 -10.9743 -3.2510 -3.2510 -2.3921 -2.3921 -1.7695 -1.7695 -1.3220 -1.3220 -1.2015 -1.2015 -1.0191 -1.0191 -0.2047 -0.2047 0.2868 0.2868 0.4144 0.4144 0.7877 0.7877 1.1073 1.1073 1.1256 1.1256 1.2541 1.2541 1.3020 1.3020 1.6388 1.6388 1.7870 1.7870 1.9049 1.9049 2.0707 2.0707 7.7393 7.7393 8.1318 8.1318 9.9010 9.9010 9.9203 9.9203 10.4066 10.4066 k = 0.2258-0.1305-0.0000 ( 6281 PWs) bands (ev): -12.5748 -12.5748 -11.5138 -11.5138 -11.4085 -11.4085 -11.3414 -11.3414 -11.0038 -11.0038 -10.9739 -10.9739 -3.2715 -3.2715 -2.3991 -2.3991 -1.7549 -1.7549 -1.3286 -1.3286 -1.2267 -1.2267 -1.0178 -1.0178 -0.2580 -0.2580 0.3317 0.3317 0.4200 0.4200 0.7571 0.7571 1.1027 1.1027 1.1678 1.1678 1.2604 1.2604 1.3247 1.3247 1.6385 1.6385 1.7922 1.7922 1.9163 1.9163 2.0663 2.0663 7.7477 7.7477 8.0968 8.0968 9.8643 9.8643 9.9035 9.9035 10.4760 10.4760 k = 0.2097-0.1212 0.0000 ( 6285 PWs) bands (ev): -12.5921 -12.5921 -11.4889 -11.4889 -11.4124 -11.4124 -11.3399 -11.3399 -11.0008 -11.0008 -10.9736 -10.9736 -3.2917 -3.2917 -2.4056 -2.4056 -1.7395 -1.7395 -1.3333 -1.3333 -1.2511 -1.2511 -1.0156 -1.0156 -0.3135 -0.3135 0.3753 0.3753 0.4238 0.4238 0.7316 0.7316 1.0809 1.0809 1.2027 1.2027 1.2702 1.2702 1.3631 1.3631 1.6399 1.6399 1.7977 1.7977 1.9269 1.9269 2.0626 2.0626 7.7538 7.7538 8.0596 8.0596 9.8078 9.8078 9.9117 9.9117 10.5430 10.5430 k = 0.1935-0.1118 0.0000 ( 6271 PWs) bands (ev): -12.6083 -12.6083 -11.4650 -11.4650 -11.4174 -11.4174 -11.3369 -11.3369 -10.9983 -10.9983 -10.9735 -10.9735 -3.3112 -3.3112 -2.4117 -2.4117 -1.7232 -1.7232 -1.3365 -1.3365 -1.2741 -1.2741 -1.0126 -1.0126 -0.3696 -0.3696 0.4045 0.4045 0.4357 0.4357 0.7134 0.7134 1.0558 1.0558 1.2218 1.2218 1.2788 1.2788 1.4151 1.4151 1.6441 1.6441 1.8036 1.8036 1.9366 1.9366 2.0597 2.0597 7.7577 7.7577 8.0206 8.0206 9.7506 9.7506 9.9266 9.9266 10.6059 10.6059 k = 0.1774-0.1025-0.0000 ( 6277 PWs) bands (ev): -12.6233 -12.6233 -11.4425 -11.4425 -11.4228 -11.4228 -11.3330 -11.3330 -10.9963 -10.9963 -10.9735 -10.9735 -3.3298 -3.3298 -2.4174 -2.4174 -1.7062 -1.7062 -1.3391 -1.3391 -1.2948 -1.2948 -1.0087 -1.0087 -0.4256 -0.4256 0.4015 0.4015 0.4717 0.4717 0.7036 0.7036 1.0299 1.0299 1.2307 1.2307 1.2845 1.2845 1.4728 1.4728 1.6519 1.6519 1.8101 1.8101 1.9452 1.9452 2.0572 2.0572 7.7595 7.7595 7.9806 7.9806 9.6938 9.6938 9.9472 9.9472 10.6630 10.6630 k = 0.1613-0.0932 0.0000 ( 6269 PWs) bands (ev): -12.6371 -12.6371 -11.4284 -11.4284 -11.4214 -11.4214 -11.3285 -11.3285 -10.9947 -10.9947 -10.9736 -10.9736 -3.3474 -3.3474 -2.4227 -2.4227 -1.6885 -1.6885 -1.3435 -1.3435 -1.3108 -1.3108 -1.0041 -1.0041 -0.4806 -0.4806 0.3868 0.3868 0.5109 0.5109 0.7022 0.7022 1.0046 1.0046 1.2336 1.2336 1.2867 1.2867 1.5304 1.5304 1.6637 1.6637 1.8174 1.8174 1.9526 1.9526 2.0550 2.0550 7.7595 7.7595 7.9404 7.9404 9.6383 9.6383 9.9729 9.9729 10.7129 10.7129 k = 0.1452-0.0839-0.0000 ( 6269 PWs) bands (ev): -12.6497 -12.6497 -11.4338 -11.4338 -11.4018 -11.4018 -11.3238 -11.3238 -10.9936 -10.9936 -10.9738 -10.9738 -3.3638 -3.3638 -2.4275 -2.4275 -1.6704 -1.6704 -1.3536 -1.3536 -1.3185 -1.3185 -0.9989 -0.9989 -0.5340 -0.5340 0.3665 0.3665 0.5480 0.5480 0.7078 0.7078 0.9810 0.9810 1.2326 1.2326 1.2853 1.2853 1.5845 1.5845 1.6793 1.6793 1.8259 1.8259 1.9590 1.9590 2.0528 2.0528 7.7578 7.7578 7.9012 7.9012 9.5850 9.5850 10.0025 10.0025 10.7545 10.7545 k = 0.1290-0.0746-0.0000 ( 6263 PWs) bands (ev): -12.6611 -12.6611 -11.4390 -11.4390 -11.3839 -11.3839 -11.3191 -11.3191 -10.9927 -10.9927 -10.9742 -10.9742 -3.3789 -3.3789 -2.4319 -2.4319 -1.6520 -1.6520 -1.3682 -1.3682 -1.3190 -1.3190 -0.9932 -0.9932 -0.5852 -0.5852 0.3433 0.3433 0.5819 0.5819 0.7183 0.7183 0.9599 0.9599 1.2289 1.2289 1.2804 1.2804 1.6329 1.6329 1.6982 1.6982 1.8360 1.8360 1.9646 1.9646 2.0505 2.0505 7.7541 7.7541 7.8642 7.8642 9.5349 9.5349 10.0350 10.0350 10.7877 10.7877 k = 0.1129-0.0652-0.0000 ( 6265 PWs) bands (ev): -12.6711 -12.6711 -11.4437 -11.4437 -11.3677 -11.3677 -11.3146 -11.3146 -10.9922 -10.9922 -10.9746 -10.9746 -3.3925 -3.3925 -2.4359 -2.4359 -1.6338 -1.6338 -1.3833 -1.3833 -1.3162 -1.3162 -0.9874 -0.9874 -0.6335 -0.6335 0.3191 0.3191 0.6119 0.6119 0.7320 0.7320 0.9419 0.9419 1.2233 1.2233 1.2727 1.2727 1.6738 1.6738 1.7195 1.7195 1.8480 1.8480 1.9699 1.9699 2.0479 2.0479 7.7482 7.7482 7.8310 7.8310 9.4886 9.4886 10.0693 10.0693 10.8130 10.8130 k = 0.0968-0.0559-0.0000 ( 6265 PWs) bands (ev): -12.6799 -12.6799 -11.4479 -11.4479 -11.3534 -11.3534 -11.3104 -11.3104 -10.9919 -10.9919 -10.9751 -10.9751 -3.4044 -3.4044 -2.4393 -2.4393 -1.6162 -1.6162 -1.3974 -1.3974 -1.3120 -1.3120 -0.9817 -0.9817 -0.6784 -0.6784 0.2956 0.2956 0.6376 0.6376 0.7471 0.7471 0.9276 0.9276 1.2166 1.2166 1.2630 1.2630 1.7056 1.7056 1.7428 1.7428 1.8614 1.8614 1.9752 1.9752 2.0448 2.0448 7.7388 7.7388 7.8039 7.8039 9.4470 9.4470 10.1041 10.1041 10.8316 10.8316 k = 0.0806-0.0466 0.0000 ( 6265 PWs) bands (ev): -12.6873 -12.6873 -11.4516 -11.4516 -11.3411 -11.3411 -11.3067 -11.3067 -10.9917 -10.9917 -10.9756 -10.9756 -3.4147 -3.4147 -2.4423 -2.4423 -1.5998 -1.5998 -1.4098 -1.4098 -1.3070 -1.3070 -0.9763 -0.9763 -0.7189 -0.7189 0.2740 0.2740 0.6583 0.6583 0.7624 0.7624 0.9176 0.9176 1.2094 1.2094 1.2522 1.2522 1.7280 1.7280 1.7677 1.7677 1.8745 1.8745 1.9810 1.9810 2.0415 2.0415 7.7248 7.7248 7.7850 7.7850 9.4106 9.4106 10.1380 10.1380 10.8321 10.8321 k = 0.0645-0.0373-0.0000 ( 6259 PWs) bands (ev): -12.6934 -12.6934 -11.4546 -11.4546 -11.3308 -11.3308 -11.3035 -11.3035 -10.9917 -10.9917 -10.9761 -10.9761 -3.4233 -3.4233 -2.4447 -2.4447 -1.5850 -1.5850 -1.4202 -1.4202 -1.3017 -1.3017 -0.9716 -0.9716 -0.7541 -0.7541 0.2551 0.2551 0.6740 0.6740 0.7767 0.7767 0.9116 0.9116 1.2021 1.2021 1.2414 1.2414 1.7429 1.7429 1.7926 1.7926 1.8851 1.8851 1.9877 1.9877 2.0381 2.0381 7.7079 7.7079 7.7737 7.7737 9.3800 9.3800 10.1695 10.1695 10.8250 10.8250 k = 0.0484-0.0280-0.0000 ( 6257 PWs) bands (ev): -12.6982 -12.6982 -11.4570 -11.4570 -11.3227 -11.3227 -11.3009 -11.3009 -10.9917 -10.9917 -10.9765 -10.9765 -3.4300 -3.4300 -2.4467 -2.4467 -1.5727 -1.5727 -1.4284 -1.4284 -1.2968 -1.2968 -0.9678 -0.9678 -0.7829 -0.7829 0.2398 0.2398 0.6850 0.6850 0.7890 0.7890 0.9091 0.9091 1.1956 1.1956 1.2315 1.2315 1.7527 1.7527 1.8159 1.8159 1.8910 1.8910 1.9949 1.9949 2.0350 2.0350 7.6916 7.6916 7.7671 7.7671 9.3557 9.3557 10.1967 10.1967 10.8164 10.8164 k = 0.0323-0.0186 0.0000 ( 6255 PWs) bands (ev): -12.7016 -12.7016 -11.4587 -11.4587 -11.3169 -11.3169 -11.2990 -11.2990 -10.9918 -10.9918 -10.9769 -10.9769 -3.4348 -3.4348 -2.4481 -2.4481 -1.5634 -1.5634 -1.4343 -1.4343 -1.2927 -1.2927 -0.9651 -0.9651 -0.8045 -0.8045 0.2284 0.2284 0.6918 0.6918 0.7986 0.7986 0.9088 0.9088 1.1903 1.1903 1.2236 1.2236 1.7588 1.7588 1.8365 1.8365 1.8917 1.8917 2.0011 2.0011 2.0328 2.0328 7.6787 7.6787 7.7633 7.7633 9.3381 9.3381 10.2180 10.2180 10.8083 10.8083 k = 0.0161-0.0093 0.0000 ( 6253 PWs) bands (ev): -12.7036 -12.7036 -11.4598 -11.4598 -11.3134 -11.3134 -11.2978 -11.2978 -10.9918 -10.9918 -10.9771 -10.9771 -3.4377 -3.4377 -2.4489 -2.4489 -1.5576 -1.5576 -1.4379 -1.4379 -1.2899 -1.2899 -0.9635 -0.9635 -0.8178 -0.8178 0.2215 0.2215 0.6955 0.6955 0.8046 0.8046 0.9094 0.9094 1.1869 1.1869 1.2184 1.2184 1.7622 1.7622 1.8528 1.8528 1.8882 1.8882 2.0052 2.0052 2.0316 2.0316 7.6706 7.6706 7.7612 7.7612 9.3274 9.3274 10.2316 10.2316 10.8026 10.8026 k = 0.0000 0.0000 0.0000 ( 6253 PWs) bands (ev): -12.7043 -12.7043 -11.4601 -11.4601 -11.3122 -11.3122 -11.2974 -11.2974 -10.9918 -10.9918 -10.9772 -10.9772 -3.4387 -3.4387 -2.4492 -2.4492 -1.5556 -1.5556 -1.4391 -1.4391 -1.2889 -1.2889 -0.9630 -0.9630 -0.8223 -0.8223 0.2191 0.2191 0.6966 0.6966 0.8067 0.8067 0.9098 0.9098 1.1857 1.1857 1.2166 1.2166 1.7633 1.7633 1.8602 1.8602 1.8851 1.8851 2.0066 2.0066 2.0313 2.0313 7.6678 7.6678 7.7605 7.7605 9.3239 9.3239 10.2363 10.2363 10.8005 10.8005 k = 0.0000 0.0000 0.0000 ( 6253 PWs) bands (ev): -12.7043 -12.7043 -11.4601 -11.4601 -11.3122 -11.3122 -11.2974 -11.2974 -10.9918 -10.9918 -10.9772 -10.9772 -3.4387 -3.4387 -2.4492 -2.4492 -1.5556 -1.5556 -1.4391 -1.4391 -1.2889 -1.2889 -0.9630 -0.9630 -0.8223 -0.8223 0.2191 0.2191 0.6966 0.6966 0.8067 0.8067 0.9098 0.9098 1.1857 1.1857 1.2166 1.2166 1.7633 1.7633 1.8602 1.8602 1.8851 1.8851 2.0066 2.0066 2.0313 2.0313 7.6678 7.6678 7.7605 7.7605 9.3239 9.3239 10.2363 10.2363 10.8005 10.8005 k = 0.0156 0.0090-0.0051 ( 6252 PWs) bands (ev): -12.7037 -12.7037 -11.4598 -11.4598 -11.3127 -11.3127 -11.2983 -11.2983 -10.9919 -10.9919 -10.9772 -10.9772 -3.4377 -3.4377 -2.4488 -2.4488 -1.5567 -1.5567 -1.4386 -1.4386 -1.2897 -1.2897 -0.9595 -0.9595 -0.8219 -0.8219 0.2216 0.2216 0.6892 0.6892 0.8133 0.8133 0.9089 0.9089 1.1862 1.1862 1.2164 1.2164 1.7605 1.7605 1.8553 1.8553 1.8873 1.8873 2.0054 2.0054 2.0311 2.0311 7.6709 7.6709 7.7617 7.7617 9.3272 9.3272 10.2361 10.2361 10.8017 10.8017 k = 0.0312 0.0180-0.0103 ( 6256 PWs) bands (ev): -12.7017 -12.7017 -11.4589 -11.4589 -11.3142 -11.3142 -11.3007 -11.3007 -10.9921 -10.9921 -10.9774 -10.9774 -3.4346 -3.4346 -2.4476 -2.4476 -1.5599 -1.5599 -1.4372 -1.4372 -1.2916 -1.2916 -0.9501 -0.9501 -0.8201 -0.8201 0.2289 0.2289 0.6707 0.6707 0.8290 0.8290 0.9065 0.9065 1.1876 1.1876 1.2159 1.2159 1.7520 1.7520 1.8437 1.8437 1.8905 1.8905 2.0012 2.0012 2.0311 2.0311 7.6800 7.6800 7.7653 7.7653 9.3371 9.3371 10.2356 10.2356 10.8023 10.8023 k = 0.0469 0.0270-0.0154 ( 6261 PWs) bands (ev): -12.6984 -12.6984 -11.4575 -11.4575 -11.3170 -11.3170 -11.3043 -11.3043 -10.9924 -10.9924 -10.9777 -10.9777 -3.4296 -3.4296 -2.4457 -2.4457 -1.5652 -1.5652 -1.4351 -1.4351 -1.2938 -1.2938 -0.9371 -0.9371 -0.8153 -0.8153 0.2408 0.2408 0.6466 0.6466 0.8465 0.8465 0.9045 0.9045 1.1898 1.1898 1.2153 1.2153 1.7383 1.7383 1.8280 1.8280 1.8919 1.8919 1.9938 1.9938 2.0321 2.0321 7.6951 7.6951 7.7712 7.7712 9.3535 9.3535 10.2346 10.2346 10.7867 10.7867 k = 0.0625 0.0360-0.0206 ( 6260 PWs) bands (ev): -12.6938 -12.6938 -11.4554 -11.4554 -11.3218 -11.3218 -11.3083 -11.3083 -10.9929 -10.9929 -10.9782 -10.9782 -3.4226 -3.4226 -2.4430 -2.4430 -1.5723 -1.5723 -1.4324 -1.4324 -1.2952 -1.2952 -0.9242 -0.9242 -0.8048 -0.8048 0.2571 0.2571 0.6197 0.6197 0.8578 0.8578 0.9082 0.9082 1.1923 1.1923 1.2146 1.2146 1.7198 1.7198 1.8085 1.8085 1.8903 1.8903 1.9840 1.9840 2.0340 2.0340 7.7155 7.7155 7.7795 7.7795 9.3761 9.3761 10.2331 10.2331 10.7503 10.7503 k = 0.0781 0.0450-0.0257 ( 6264 PWs) bands (ev): -12.6879 -12.6879 -11.4528 -11.4528 -11.3292 -11.3292 -11.3123 -11.3123 -10.9935 -10.9935 -10.9788 -10.9788 -3.4136 -3.4136 -2.4397 -2.4397 -1.5808 -1.5808 -1.4295 -1.4295 -1.2947 -1.2947 -0.9154 -0.9154 -0.7856 -0.7856 0.2772 0.2772 0.5914 0.5914 0.8566 0.8566 0.9228 0.9228 1.1945 1.1945 1.2144 1.2144 1.6975 1.6975 1.7842 1.7842 1.8857 1.8857 1.9734 1.9734 2.0362 2.0362 7.7406 7.7406 7.7902 7.7902 9.4045 9.4045 10.2310 10.2310 10.7058 10.7058 k = 0.0938 0.0540-0.0309 ( 6260 PWs) bands (ev): -12.6808 -12.6808 -11.4496 -11.4496 -11.3391 -11.3391 -11.3159 -11.3159 -10.9943 -10.9943 -10.9796 -10.9796 -3.4027 -3.4027 -2.4356 -2.4356 -1.5903 -1.5903 -1.4268 -1.4268 -1.2914 -1.2914 -0.9121 -0.9121 -0.7570 -0.7570 0.3005 0.3005 0.5624 0.5624 0.8467 0.8467 0.9438 0.9438 1.1957 1.1957 1.2151 1.2151 1.6722 1.6722 1.7542 1.7542 1.8784 1.8784 1.9632 1.9632 2.0382 2.0382 7.7692 7.7692 7.8039 7.8039 9.4381 9.4381 10.2279 10.2279 10.6590 10.6590 k = 0.1094 0.0630-0.0360 ( 6258 PWs) bands (ev): -12.6723 -12.6723 -11.4459 -11.4459 -11.3513 -11.3513 -11.3196 -11.3196 -10.9953 -10.9953 -10.9806 -10.9806 -3.3899 -3.3899 -2.4309 -2.4309 -1.6005 -1.6005 -1.4245 -1.4245 -1.2848 -1.2848 -0.9133 -0.9133 -0.7206 -0.7206 0.3260 0.3260 0.5336 0.5336 0.8325 0.8325 0.9667 0.9667 1.1952 1.1952 1.2170 1.2170 1.6450 1.6450 1.7181 1.7181 1.8690 1.8690 1.9541 1.9541 2.0395 2.0395 7.7978 7.7978 7.8230 7.8230 9.4765 9.4765 10.2231 10.2231 10.6134 10.6134 k = 0.1250 0.0720-0.0412 ( 6260 PWs) bands (ev): -12.6626 -12.6626 -11.4417 -11.4417 -11.3653 -11.3653 -11.3234 -11.3234 -10.9965 -10.9965 -10.9817 -10.9817 -3.3754 -3.3754 -2.4257 -2.4257 -1.6107 -1.6107 -1.4229 -1.4229 -1.2748 -1.2748 -0.9172 -0.9172 -0.6786 -0.6786 0.3517 0.3517 0.5065 0.5065 0.8158 0.8158 0.9895 0.9895 1.1936 1.1936 1.2190 1.2190 1.6163 1.6163 1.6765 1.6765 1.8583 1.8583 1.9457 1.9457 2.0401 2.0401 7.8206 7.8206 7.8523 7.8523 9.5189 9.5189 10.2161 10.2161 10.5718 10.5718 k = 0.1406 0.0810-0.0463 ( 6263 PWs) bands (ev): -12.6517 -12.6517 -11.4372 -11.4372 -11.3810 -11.3810 -11.3274 -11.3274 -10.9980 -10.9980 -10.9831 -10.9831 -3.3592 -3.3592 -2.4199 -2.4199 -1.6207 -1.6207 -1.4217 -1.4217 -1.2614 -1.2614 -0.9224 -0.9224 -0.6327 -0.6327 0.3727 0.3727 0.4855 0.4855 0.7976 0.7976 1.0112 1.0112 1.1915 1.1915 1.2202 1.2202 1.5851 1.5851 1.6324 1.6324 1.8468 1.8468 1.9377 1.9377 2.0397 2.0397 7.8393 7.8393 7.8892 7.8892 9.5646 9.5646 10.2057 10.2057 10.5370 10.5370 k = 0.1562 0.0900-0.0515 ( 6264 PWs) bands (ev): -12.6395 -12.6395 -11.4325 -11.4325 -11.3981 -11.3981 -11.3314 -11.3314 -10.9997 -10.9997 -10.9847 -10.9847 -3.3414 -3.3414 -2.4136 -2.4136 -1.6301 -1.6301 -1.4208 -1.4208 -1.2450 -1.2450 -0.9281 -0.9281 -0.5842 -0.5842 0.3781 0.3781 0.4809 0.4809 0.7787 0.7787 1.0307 1.0307 1.1895 1.1895 1.2196 1.2196 1.5461 1.5461 1.5934 1.5934 1.8347 1.8347 1.9295 1.9295 2.0385 2.0385 7.8571 7.8571 7.9289 7.9289 9.6126 9.6126 10.1915 10.1915 10.5112 10.5112 k = 0.1719 0.0991-0.0566 ( 6265 PWs) bands (ev): -12.6262 -12.6262 -11.4294 -11.4294 -11.4146 -11.4146 -11.3356 -11.3356 -11.0017 -11.0017 -10.9865 -10.9865 -3.3220 -3.3220 -2.4069 -2.4069 -1.6388 -1.6388 -1.4198 -1.4198 -1.2262 -1.2262 -0.9336 -0.9336 -0.5340 -0.5340 0.3623 0.3623 0.4974 0.4974 0.7600 0.7600 1.0469 1.0469 1.1876 1.1876 1.2167 1.2167 1.4947 1.4947 1.5663 1.5663 1.8222 1.8222 1.9208 1.9208 2.0367 2.0367 7.8749 7.8749 7.9696 7.9696 9.6620 9.6620 10.1736 10.1736 10.4957 10.4957 k = 0.1875 0.1081-0.0618 ( 6271 PWs) bands (ev): -12.6117 -12.6117 -11.4409 -11.4409 -11.4177 -11.4177 -11.3397 -11.3397 -11.0039 -11.0039 -10.9885 -10.9885 -3.3014 -3.3014 -2.3999 -2.3999 -1.6465 -1.6465 -1.4183 -1.4183 -1.2055 -1.2055 -0.9383 -0.9383 -0.4830 -0.4830 0.3350 0.3350 0.5241 0.5241 0.7431 0.7431 1.0585 1.0585 1.1840 1.1840 1.2132 1.2132 1.4358 1.4358 1.5488 1.5488 1.8091 1.8091 1.9113 1.9113 2.0343 2.0343 7.8924 7.8924 8.0100 8.0100 9.7119 9.7119 10.1534 10.1534 10.4904 10.4904 k = 0.2031 0.1171-0.0669 ( 6278 PWs) bands (ev): -12.5961 -12.5961 -11.4616 -11.4616 -11.4127 -11.4127 -11.3438 -11.3438 -11.0065 -11.0065 -10.9906 -10.9906 -3.2795 -3.2795 -2.3925 -2.3925 -1.6533 -1.6533 -1.4160 -1.4160 -1.1834 -1.1834 -0.9418 -0.9418 -0.4321 -0.4321 0.3035 0.3035 0.5513 0.5513 0.7307 0.7307 1.0645 1.0645 1.1740 1.1740 1.2135 1.2135 1.3739 1.3739 1.5383 1.5383 1.7957 1.7957 1.9007 1.9007 2.0317 2.0317 7.9093 7.9093 8.0492 8.0492 9.7612 9.7612 10.1332 10.1332 10.4943 10.4943 k = 0.2188 0.1261-0.0721 ( 6281 PWs) bands (ev): -12.5795 -12.5795 -11.4844 -11.4844 -11.4068 -11.4068 -11.3475 -11.3475 -11.0095 -11.0095 -10.9929 -10.9929 -3.2565 -3.2565 -2.3849 -2.3849 -1.6591 -1.6591 -1.4124 -1.4124 -1.1606 -1.1606 -0.9438 -0.9438 -0.3826 -0.3826 0.2710 0.2710 0.5721 0.5721 0.7273 0.7273 1.0643 1.0643 1.1556 1.1556 1.2179 1.2179 1.3137 1.3137 1.5335 1.5335 1.7819 1.7819 1.8892 1.8892 2.0289 2.0289 7.9253 7.9253 8.0863 8.0863 9.8089 9.8089 10.1152 10.1152 10.5059 10.5059 k = 0.2344 0.1351-0.0772 ( 6281 PWs) bands (ev): -12.5618 -12.5618 -11.5083 -11.5083 -11.4010 -11.4010 -11.3506 -11.3506 -11.0128 -11.0128 -10.9953 -10.9953 -3.2327 -3.2327 -2.3771 -2.3771 -1.6640 -1.6640 -1.4073 -1.4073 -1.1376 -1.1376 -0.9437 -0.9437 -0.3360 -0.3360 0.2395 0.2395 0.5809 0.5809 0.7376 0.7376 1.0566 1.0566 1.1304 1.1304 1.2147 1.2147 1.2681 1.2681 1.5334 1.5334 1.7677 1.7677 1.8766 1.8766 2.0263 2.0263 7.9398 7.9398 8.1208 8.1208 9.8541 9.8541 10.1017 10.1017 10.5238 10.5238 k = 0.2500 0.1441-0.0824 ( 6281 PWs) bands (ev): -12.5431 -12.5431 -11.5334 -11.5334 -11.3958 -11.3958 -11.3527 -11.3527 -11.0165 -11.0165 -10.9978 -10.9978 -3.2082 -3.2082 -2.3691 -2.3691 -1.6682 -1.6682 -1.4004 -1.4004 -1.1152 -1.1152 -0.9410 -0.9410 -0.2946 -0.2946 0.2112 0.2112 0.5775 0.5775 0.7611 0.7611 1.0369 1.0369 1.1027 1.1027 1.1807 1.1807 1.2626 1.2626 1.5364 1.5364 1.7532 1.7532 1.8633 1.8633 2.0239 2.0239 7.9523 7.9523 8.1523 8.1523 9.8958 9.8958 10.0942 10.0942 10.5463 10.5463 k = 0.2656 0.1531-0.0875 ( 6281 PWs) bands (ev): -12.5235 -12.5235 -11.5593 -11.5593 -11.3919 -11.3919 -11.3530 -11.3530 -11.0206 -11.0206 -11.0003 -11.0003 -3.1833 -3.1833 -2.3610 -2.3610 -1.6718 -1.6718 -1.3914 -1.3914 -1.0943 -1.0943 -0.9352 -0.9352 -0.2615 -0.2615 0.1893 0.1893 0.5667 0.5667 0.7927 0.7927 0.9975 0.9975 1.0808 1.0808 1.1405 1.1405 1.2742 1.2742 1.5411 1.5411 1.7384 1.7384 1.8496 1.8496 2.0218 2.0218 7.9622 7.9622 8.1806 8.1806 9.9333 9.9333 10.0943 10.0943 10.5714 10.5714 k = 0.2812 0.1621-0.0927 ( 6284 PWs) bands (ev): -12.5030 -12.5030 -11.5860 -11.5860 -11.3901 -11.3901 -11.3511 -11.3511 -11.0251 -11.0251 -11.0027 -11.0027 -3.1582 -3.1582 -2.3529 -2.3529 -1.6748 -1.6748 -1.3800 -1.3800 -1.0756 -1.0756 -0.9257 -0.9257 -0.2406 -0.2406 0.1776 0.1776 0.5527 0.5527 0.8276 0.8276 0.9412 0.9412 1.0656 1.0656 1.1064 1.1064 1.2888 1.2888 1.5461 1.5461 1.7233 1.7233 1.8360 1.8360 2.0202 2.0202 7.9693 7.9693 8.2057 8.2057 9.9657 9.9657 10.1027 10.1027 10.5967 10.5967 k = 0.2969 0.1711-0.0978 ( 6288 PWs) bands (ev): -12.4817 -12.4817 -11.6133 -11.6133 -11.3902 -11.3902 -11.3467 -11.3467 -11.0299 -11.0299 -11.0051 -11.0051 -3.1331 -3.1331 -2.3447 -2.3447 -1.6775 -1.6775 -1.3661 -1.3661 -1.0598 -1.0598 -0.9123 -0.9123 -0.2354 -0.2354 0.1795 0.1795 0.5379 0.5379 0.8611 0.8611 0.8779 0.8779 1.0520 1.0520 1.0796 1.0796 1.3041 1.3041 1.5499 1.5499 1.7079 1.7079 1.8235 1.8235 2.0192 2.0192 7.9731 7.9731 8.2278 8.2278 9.9929 9.9929 10.1200 10.1200 10.6181 10.6181 k = 0.3125 0.1801-0.1030 ( 6283 PWs) bands (ev): -12.4598 -12.4598 -11.6410 -11.6410 -11.3917 -11.3917 -11.3406 -11.3406 -11.0352 -11.0352 -11.0074 -11.0074 -3.1084 -3.1084 -2.3366 -2.3366 -1.6800 -1.6800 -1.3495 -1.3495 -1.0469 -1.0469 -0.8951 -0.8951 -0.2466 -0.2466 0.1954 0.1954 0.5233 0.5233 0.8095 0.8095 0.8938 0.8938 1.0338 1.0338 1.0650 1.0650 1.3191 1.3191 1.5514 1.5514 1.6919 1.6919 1.8127 1.8127 2.0186 2.0186 7.9735 7.9735 8.2474 8.2474 10.0154 10.0154 10.1453 10.1453 10.6294 10.6294 k = 0.3281 0.1891-0.1081 ( 6288 PWs) bands (ev): -12.4373 -12.4373 -11.6691 -11.6691 -11.3941 -11.3941 -11.3334 -11.3334 -11.0407 -11.0407 -11.0096 -11.0096 -3.0843 -3.0843 -2.3286 -2.3286 -1.6823 -1.6823 -1.3304 -1.3304 -1.0366 -1.0366 -0.8747 -0.8747 -0.2717 -0.2717 0.2226 0.2226 0.5094 0.5094 0.7430 0.7430 0.9173 0.9173 1.0114 1.0114 1.0644 1.0644 1.3335 1.3335 1.5496 1.5496 1.6752 1.6752 1.8046 1.8046 2.0187 2.0187 7.9708 7.9708 8.2646 8.2646 10.0345 10.0345 10.1770 10.1770 10.6228 10.6228 k = 0.3438 0.1981-0.1133 ( 6292 PWs) bands (ev): -12.4144 -12.4144 -11.6972 -11.6972 -11.3968 -11.3968 -11.3256 -11.3256 -11.0465 -11.0465 -11.0117 -11.0117 -3.0611 -3.0611 -2.3208 -2.3208 -1.6844 -1.6844 -1.3087 -1.3087 -1.0281 -1.0281 -0.8523 -0.8523 -0.3068 -0.3068 0.2570 0.2570 0.4962 0.4962 0.6791 0.6791 0.9293 0.9293 0.9892 0.9892 1.0765 1.0765 1.3470 1.3470 1.5441 1.5441 1.6575 1.6575 1.7996 1.7996 2.0193 2.0193 7.9651 7.9651 8.2799 8.2799 10.0513 10.0513 10.2132 10.2132 10.5961 10.5961 k = 0.3594 0.2071-0.1184 ( 6290 PWs) bands (ev): -12.3913 -12.3913 -11.7253 -11.7253 -11.3996 -11.3996 -11.3175 -11.3175 -11.0524 -11.0524 -11.0137 -11.0137 -3.0390 -3.0390 -2.3131 -2.3131 -1.6865 -1.6865 -1.2847 -1.2847 -1.0208 -1.0208 -0.8288 -0.8288 -0.3484 -0.3484 0.2944 0.2944 0.4831 0.4831 0.6206 0.6206 0.9296 0.9296 0.9692 0.9692 1.0991 1.0991 1.3594 1.3594 1.5351 1.5351 1.6388 1.6388 1.7976 1.7976 2.0205 2.0205 7.9570 7.9570 8.2934 8.2934 10.0664 10.0664 10.2520 10.2520 10.5566 10.5566 k = 0.3750 0.2161-0.1236 ( 6288 PWs) bands (ev): -12.3681 -12.3681 -11.7530 -11.7530 -11.4024 -11.4024 -11.3094 -11.3094 -11.0583 -11.0583 -11.0155 -11.0155 -3.0184 -3.0184 -2.3058 -2.3058 -1.6884 -1.6884 -1.2588 -1.2588 -1.0139 -1.0139 -0.8052 -0.8052 -0.3937 -0.3937 0.3299 0.3299 0.4689 0.4689 0.5719 0.5719 0.9212 0.9212 0.9522 0.9522 1.1279 1.1279 1.3707 1.3707 1.5230 1.5230 1.6192 1.6192 1.7981 1.7981 2.0221 2.0221 7.9471 7.9471 8.3053 8.3053 10.0803 10.0803 10.2907 10.2907 10.5144 10.5144 k = 0.3906 0.2251-0.1287 ( 6293 PWs) bands (ev): -12.3451 -12.3451 -11.7800 -11.7800 -11.4049 -11.4049 -11.3016 -11.3016 -11.0642 -11.0642 -11.0171 -11.0171 -2.9996 -2.9996 -2.2989 -2.2989 -1.6902 -1.6902 -1.2317 -1.2317 -1.0067 -1.0067 -0.7826 -0.7826 -0.4407 -0.4407 0.3542 0.3542 0.4560 0.4560 0.5388 0.5388 0.9079 0.9079 0.9382 0.9382 1.1594 1.1594 1.3807 1.3807 1.5089 1.5089 1.5990 1.5990 1.8003 1.8003 2.0242 2.0242 7.9363 7.9363 8.3157 8.3157 10.0931 10.0931 10.3232 10.3232 10.4800 10.4800 k = 0.4062 0.2341-0.1339 ( 6296 PWs) bands (ev): -12.3228 -12.3228 -11.8059 -11.8059 -11.4073 -11.4073 -11.2941 -11.2941 -11.0700 -11.0700 -11.0185 -11.0185 -2.9827 -2.9827 -2.2925 -2.2925 -1.6919 -1.6919 -1.2042 -1.2042 -0.9982 -0.9982 -0.7626 -0.7626 -0.4873 -0.4873 0.3508 0.3508 0.4576 0.4576 0.5239 0.5239 0.8929 0.8929 0.9259 0.9259 1.1913 1.1913 1.3893 1.3893 1.4937 1.4937 1.5786 1.5786 1.8035 1.8035 2.0265 2.0265 7.9251 7.9251 8.3247 8.3247 10.1052 10.1052 10.3353 10.3353 10.4693 10.4693 k = 0.4219 0.2431-0.1390 ( 6294 PWs) bands (ev): -12.3016 -12.3016 -11.8302 -11.8302 -11.4093 -11.4093 -11.2872 -11.2872 -11.0753 -11.0753 -11.0197 -11.0197 -2.9680 -2.9680 -2.2868 -2.2868 -1.6934 -1.6934 -1.1776 -1.1776 -0.9873 -0.9873 -0.7473 -0.7473 -0.5309 -0.5309 0.3235 0.3235 0.4703 0.4703 0.5263 0.5263 0.8779 0.8779 0.9150 0.9150 1.2224 1.2224 1.3960 1.3960 1.4787 1.4787 1.5582 1.5582 1.8070 1.8070 2.0288 2.0288 7.9144 7.9144 8.3322 8.3322 10.1170 10.1170 10.3196 10.3196 10.4902 10.4902 k = 0.4375 0.2521-0.1442 ( 6297 PWs) bands (ev): -12.2822 -12.2822 -11.8521 -11.8521 -11.4110 -11.4110 -11.2812 -11.2812 -11.0801 -11.0801 -11.0207 -11.0207 -2.9558 -2.9558 -2.2818 -2.2818 -1.6946 -1.6946 -1.1538 -1.1538 -0.9727 -0.9727 -0.7406 -0.7406 -0.5676 -0.5676 0.2906 0.2906 0.4777 0.4777 0.5437 0.5437 0.8639 0.8639 0.9053 0.9053 1.2517 1.2517 1.4006 1.4006 1.4653 1.4653 1.5384 1.5384 1.8102 1.8102 2.0311 2.0311 7.9048 7.9048 8.3383 8.3383 10.1288 10.1288 10.2917 10.2917 10.5264 10.5264 k = 0.4531 0.2611-0.1493 ( 6292 PWs) bands (ev): -12.2654 -12.2654 -11.8710 -11.8710 -11.4123 -11.4123 -11.2761 -11.2761 -11.0841 -11.0841 -11.0215 -11.0215 -2.9461 -2.9461 -2.2779 -2.2779 -1.6956 -1.6956 -1.1345 -1.1345 -0.9532 -0.9532 -0.7471 -0.7471 -0.5923 -0.5923 0.2608 0.2608 0.4801 0.4801 0.5663 0.5663 0.8515 0.8515 0.8973 0.8973 1.2783 1.2783 1.4021 1.4021 1.4552 1.4552 1.5199 1.5199 1.8130 1.8130 2.0331 2.0331 7.8967 7.8967 8.3431 8.3431 10.1411 10.1411 10.2624 10.2624 10.5655 10.5655 k = 0.4688 0.2701-0.1545 ( 6294 PWs) bands (ev): -12.2522 -12.2522 -11.8856 -11.8856 -11.4133 -11.4133 -11.2723 -11.2723 -11.0871 -11.0871 -11.0221 -11.0221 -2.9390 -2.9390 -2.2749 -2.2749 -1.6964 -1.6964 -1.1207 -1.1207 -0.9291 -0.9291 -0.7674 -0.7674 -0.6038 -0.6038 0.2375 0.2375 0.4810 0.4810 0.5865 0.5865 0.8415 0.8415 0.8911 0.8911 1.3008 1.3008 1.4000 1.4000 1.4501 1.4501 1.5036 1.5036 1.8151 1.8151 2.0347 2.0347 7.8906 7.8906 8.3464 8.3464 10.1544 10.1544 10.2357 10.2357 10.6011 10.6011 k = 0.4844 0.2791-0.1596 ( 6294 PWs) bands (ev): -12.2437 -12.2437 -11.8949 -11.8949 -11.4139 -11.4139 -11.2700 -11.2700 -11.0890 -11.0890 -11.0225 -11.0225 -2.9348 -2.9348 -2.2731 -2.2731 -1.6968 -1.6968 -1.1127 -1.1127 -0.9040 -0.9040 -0.7932 -0.7932 -0.6071 -0.6071 0.2229 0.2229 0.4814 0.4814 0.6001 0.6001 0.8348 0.8348 0.8873 0.8873 1.3170 1.3170 1.3959 1.3959 1.4491 1.4491 1.4917 1.4917 1.8164 1.8164 2.0357 2.0357 7.8868 7.8868 8.3485 8.3485 10.1686 10.1686 10.2130 10.2130 10.6276 10.6276 k = 0.5000 0.2881-0.1648 ( 6296 PWs) bands (ev): -12.2408 -12.2408 -11.8982 -11.8982 -11.4141 -11.4141 -11.2692 -11.2692 -11.0897 -11.0897 -11.0226 -11.0226 -2.9334 -2.9334 -2.2725 -2.2725 -1.6969 -1.6969 -1.1101 -1.1101 -0.8907 -0.8907 -0.8073 -0.8073 -0.6076 -0.6076 0.2179 0.2179 0.4815 0.4815 0.6049 0.6049 0.8324 0.8324 0.8860 0.8860 1.3232 1.3232 1.3937 1.3937 1.4495 1.4495 1.4870 1.4870 1.8169 1.8169 2.0360 2.0360 7.8855 7.8855 8.3491 8.3491 10.1785 10.1785 10.2001 10.2001 10.6380 10.6380 k = 0.5000 0.2881 0.3413 ( 6276 PWs) bands (ev): -12.1919 -12.1919 -11.8500 -11.8500 -11.4448 -11.4448 -11.3351 -11.3351 -11.1462 -11.1462 -10.9895 -10.9895 -3.0524 -3.0524 -2.2219 -2.2219 -1.8834 -1.8834 -1.0665 -1.0665 -0.7934 -0.7934 -0.7289 -0.7289 -0.4589 -0.4589 0.1284 0.1284 0.5404 0.5404 0.6490 0.6490 0.8186 0.8186 1.0311 1.0311 1.3236 1.3236 1.3242 1.3242 1.4702 1.4702 1.7641 1.7641 1.8349 1.8349 2.0016 2.0016 7.4281 7.4281 8.2980 8.2980 9.6121 9.6121 9.8834 9.8834 10.0518 10.0518 k = 0.4861 0.2801 0.3319 ( 6275 PWs) bands (ev): -12.1944 -12.1944 -11.8474 -11.8474 -11.4446 -11.4446 -11.3355 -11.3355 -11.1457 -11.1457 -10.9895 -10.9895 -3.0534 -3.0534 -2.2221 -2.2221 -1.8827 -1.8827 -1.0737 -1.0737 -0.7957 -0.7957 -0.7203 -0.7203 -0.4616 -0.4616 0.1333 0.1333 0.5404 0.5404 0.6461 0.6461 0.8206 0.8206 1.0314 1.0314 1.3177 1.3177 1.3299 1.3299 1.4697 1.4697 1.7646 1.7646 1.8350 1.8350 2.0006 2.0006 7.4295 7.4295 8.2976 8.2976 9.6153 9.6153 9.8861 9.8861 10.0515 10.0515 k = 0.4722 0.2721 0.3224 ( 6276 PWs) bands (ev): -12.2018 -12.2018 -11.8398 -11.8398 -11.4441 -11.4441 -11.3366 -11.3366 -11.1441 -11.1441 -10.9894 -10.9894 -3.0564 -3.0564 -2.2228 -2.2228 -1.8809 -1.8809 -1.0934 -1.0934 -0.8015 -0.8015 -0.6978 -0.6978 -0.4692 -0.4692 0.1478 0.1478 0.5397 0.5397 0.6386 0.6386 0.8259 0.8259 1.0325 1.0325 1.3113 1.3113 1.3356 1.3356 1.4685 1.4685 1.7660 1.7660 1.8355 1.8355 1.9979 1.9979 7.4339 7.4339 8.2961 8.2961 9.6249 9.6249 9.8939 9.8939 10.0507 10.0507 k = 0.4583 0.2641 0.3129 ( 6282 PWs) bands (ev): -12.2134 -12.2134 -11.8280 -11.8280 -11.4433 -11.4433 -11.3384 -11.3384 -11.1414 -11.1414 -10.9893 -10.9893 -3.0614 -3.0614 -2.2238 -2.2238 -1.8778 -1.8778 -1.1216 -1.1216 -0.8099 -0.8099 -0.6674 -0.6674 -0.4796 -0.4796 0.1709 0.1709 0.5367 0.5367 0.6293 0.6293 0.8335 0.8335 1.0344 1.0344 1.3045 1.3045 1.3405 1.3405 1.4669 1.4669 1.7682 1.7682 1.8363 1.8363 1.9934 1.9934 7.4410 7.4410 8.2937 8.2937 9.6408 9.6408 9.9063 9.9063 10.0502 10.0502 k = 0.4444 0.2561 0.3034 ( 6284 PWs) bands (ev): -12.2284 -12.2284 -11.8126 -11.8126 -11.4421 -11.4421 -11.3407 -11.3407 -11.1379 -11.1379 -10.9892 -10.9892 -3.0683 -3.0683 -2.2253 -2.2253 -1.8735 -1.8735 -1.1545 -1.1545 -0.8205 -0.8205 -0.6366 -0.6366 -0.4881 -0.4881 0.2013 0.2013 0.5283 0.5283 0.6226 0.6226 0.8423 0.8423 1.0369 1.0369 1.2971 1.2971 1.3443 1.3443 1.4655 1.4655 1.7711 1.7711 1.8373 1.8373 1.9877 1.9877 7.4507 7.4507 8.2905 8.2905 9.6627 9.6627 9.9220 9.9220 10.0513 10.0513 k = 0.4306 0.2481 0.2939 ( 6288 PWs) bands (ev): -12.2460 -12.2460 -11.7945 -11.7945 -11.4407 -11.4407 -11.3435 -11.3435 -11.1335 -11.1335 -10.9891 -10.9891 -3.0770 -3.0770 -2.2273 -2.2273 -1.8680 -1.8680 -1.1897 -1.1897 -0.8332 -0.8332 -0.6165 -0.6165 -0.4853 -0.4853 0.2376 0.2376 0.5124 0.5124 0.6217 0.6217 0.8514 0.8514 1.0401 1.0401 1.2888 1.2888 1.3467 1.3467 1.4649 1.4649 1.7743 1.7743 1.8385 1.8385 1.9811 1.9811 7.4629 7.4629 8.2866 8.2866 9.6903 9.6903 9.9387 9.9387 10.0565 10.0565 k = 0.4167 0.2401 0.2844 ( 6290 PWs) bands (ev): -12.2655 -12.2655 -11.7744 -11.7744 -11.4389 -11.4389 -11.3467 -11.3467 -11.1284 -11.1284 -10.9890 -10.9890 -3.0874 -3.0874 -2.2297 -2.2297 -1.8613 -1.8613 -1.2254 -1.2254 -0.8476 -0.8476 -0.6170 -0.6170 -0.4624 -0.4624 0.2784 0.2784 0.4898 0.4898 0.6270 0.6270 0.8603 0.8603 1.0436 1.0436 1.2795 1.2795 1.3476 1.3476 1.4650 1.4650 1.7776 1.7776 1.8398 1.8398 1.9741 1.9741 7.4771 7.4771 8.2821 8.2821 9.7229 9.7229 9.9530 9.9530 10.0694 10.0694 k = 0.4028 0.2321 0.2750 ( 6288 PWs) bands (ev): -12.2864 -12.2864 -11.7528 -11.7528 -11.4370 -11.4370 -11.3501 -11.3501 -11.1226 -11.1226 -10.9888 -10.9888 -3.0993 -3.0993 -2.2325 -2.2325 -1.8536 -1.8536 -1.2607 -1.2607 -0.8633 -0.8633 -0.6338 -0.6338 -0.4240 -0.4240 0.3214 0.3214 0.4639 0.4639 0.6371 0.6371 0.8688 0.8688 1.0469 1.0469 1.2696 1.2696 1.3471 1.3471 1.4658 1.4658 1.7809 1.7809 1.8411 1.8411 1.9675 1.9675 7.4931 7.4931 8.2772 8.2772 9.7596 9.7596 9.9626 9.9626 10.0931 10.0931 k = 0.3889 0.2241 0.2655 ( 6288 PWs) bands (ev): -12.3081 -12.3081 -11.7303 -11.7303 -11.4349 -11.4349 -11.3536 -11.3536 -11.1164 -11.1164 -10.9886 -10.9886 -3.1126 -3.1126 -2.2359 -2.2359 -1.8448 -1.8448 -1.2949 -1.2949 -0.8798 -0.8798 -0.6589 -0.6589 -0.3789 -0.3789 0.3596 0.3596 0.4427 0.4427 0.6505 0.6505 0.8768 0.8768 1.0493 1.0493 1.2595 1.2595 1.3456 1.3456 1.4664 1.4664 1.7840 1.7840 1.8424 1.8424 1.9618 1.9618 7.5104 7.5104 8.2720 8.2720 9.7983 9.7983 9.9690 9.9690 10.1272 10.1272 k = 0.3750 0.2161 0.2560 ( 6287 PWs) bands (ev): -12.3304 -12.3304 -11.7072 -11.7072 -11.4328 -11.4328 -11.3571 -11.3571 -11.1097 -11.1097 -10.9884 -10.9884 -3.1270 -3.1270 -2.2398 -2.2398 -1.8350 -1.8350 -1.3275 -1.3275 -0.8967 -0.8967 -0.6883 -0.6883 -0.3319 -0.3319 0.3671 0.3671 0.4527 0.4527 0.6667 0.6667 0.8841 0.8841 1.0500 1.0500 1.2503 1.2503 1.3434 1.3434 1.4662 1.4662 1.7869 1.7869 1.8435 1.8435 1.9578 1.9578 7.5288 7.5288 8.2665 8.2665 9.8356 9.8356 9.9773 9.9773 10.1696 10.1696 k = 0.3611 0.2081 0.2465 ( 6285 PWs) bands (ev): -12.3529 -12.3529 -11.6837 -11.6837 -11.4307 -11.4307 -11.3603 -11.3603 -11.1028 -11.1028 -10.9882 -10.9882 -3.1425 -3.1425 -2.2443 -2.2443 -1.8244 -1.8244 -1.3581 -1.3581 -0.9134 -0.9134 -0.7200 -0.7200 -0.2860 -0.2860 0.3437 0.3437 0.4943 0.4943 0.6856 0.6856 0.8907 0.8907 1.0480 1.0480 1.2431 1.2431 1.3407 1.3407 1.4643 1.4643 1.7897 1.7897 1.8446 1.8446 1.9558 1.9558 7.5477 7.5477 8.2608 8.2608 9.8650 9.8650 9.9945 9.9945 10.2181 10.2181 k = 0.3472 0.2001 0.2370 ( 6286 PWs) bands (ev): -12.3755 -12.3755 -11.6602 -11.6602 -11.4287 -11.4287 -11.3632 -11.3632 -11.0956 -11.0956 -10.9880 -10.9880 -3.1588 -3.1588 -2.2494 -2.2494 -1.8129 -1.8129 -1.3865 -1.3865 -0.9296 -0.9296 -0.7533 -0.7533 -0.2435 -0.2435 0.3148 0.3148 0.5421 0.5421 0.7080 0.7080 0.8962 0.8962 1.0431 1.0431 1.2389 1.2389 1.3376 1.3376 1.4602 1.4602 1.7924 1.7924 1.8459 1.8459 1.9559 1.9559 7.5667 7.5667 8.2549 8.2549 9.8811 9.8811 10.0254 10.0254 10.2708 10.2708 k = 0.3333 0.1921 0.2276 ( 6284 PWs) bands (ev): -12.3979 -12.3979 -11.6366 -11.6366 -11.4270 -11.4270 -11.3655 -11.3655 -11.0883 -11.0883 -10.9877 -10.9877 -3.1757 -3.1757 -2.2552 -2.2552 -1.8007 -1.8007 -1.4124 -1.4124 -0.9447 -0.9447 -0.7877 -0.7877 -0.2071 -0.2071 0.2881 0.2881 0.5875 0.5875 0.7357 0.7357 0.9001 0.9001 1.0360 1.0360 1.2376 1.2376 1.3343 1.3343 1.4538 1.4538 1.7953 1.7953 1.8478 1.8478 1.9581 1.9581 7.5855 7.5855 8.2485 8.2485 9.8862 9.8862 10.0647 10.0647 10.2966 10.2966 k = 0.3194 0.1841 0.2181 ( 6284 PWs) bands (ev): -12.4201 -12.4201 -11.6134 -11.6134 -11.4258 -11.4258 -11.3670 -11.3670 -11.0809 -11.0809 -10.9875 -10.9875 -3.1930 -3.1930 -2.2617 -2.2617 -1.7880 -1.7880 -1.4358 -1.4358 -0.9585 -0.9585 -0.8226 -0.8226 -0.1800 -0.1800 0.2679 0.2679 0.6256 0.6256 0.7711 0.7711 0.9014 0.9014 1.0288 1.0288 1.2384 1.2384 1.3312 1.3312 1.4455 1.4455 1.7985 1.7985 1.8505 1.8505 1.9619 1.9619 7.6036 7.6036 8.2413 8.2413 9.8850 9.8850 10.0995 10.0995 10.2723 10.2723 k = 0.3056 0.1761 0.2086 ( 6286 PWs) bands (ev): -12.4419 -12.4419 -11.5904 -11.5904 -11.4252 -11.4252 -11.3677 -11.3677 -11.0735 -11.0735 -10.9873 -10.9873 -3.2105 -3.2105 -2.2688 -2.2688 -1.7749 -1.7749 -1.4564 -1.4564 -0.9706 -0.9706 -0.8579 -0.8579 -0.1657 -0.1657 0.2578 0.2578 0.6535 0.6535 0.8146 0.8146 0.8996 0.8996 1.0242 1.0242 1.2392 1.2392 1.3288 1.3288 1.4361 1.4361 1.8022 1.8022 1.8540 1.8540 1.9670 1.9670 7.6207 7.6207 8.2331 8.2331 9.8805 9.8805 10.1133 10.1133 10.2690 10.2690 k = 0.2917 0.1681 0.1991 ( 6284 PWs) bands (ev): -12.4632 -12.4632 -11.5679 -11.5679 -11.4253 -11.4253 -11.3674 -11.3674 -11.0661 -11.0661 -10.9871 -10.9871 -3.2281 -3.2281 -2.2767 -2.2767 -1.7615 -1.7615 -1.4741 -1.4741 -0.9809 -0.9809 -0.8933 -0.8933 -0.1663 -0.1663 0.2599 0.2599 0.6713 0.6713 0.8574 0.8574 0.9011 0.9011 1.0246 1.0246 1.2378 1.2378 1.3283 1.3283 1.4268 1.4268 1.8064 1.8064 1.8585 1.8585 1.9731 1.9731 7.6368 7.6368 8.2233 8.2233 9.8735 9.8735 10.1046 10.1046 10.2762 10.2762 k = 0.2778 0.1601 0.1896 ( 6288 PWs) bands (ev): -12.4839 -12.4839 -11.5460 -11.5460 -11.4260 -11.4260 -11.3662 -11.3662 -11.0588 -11.0588 -10.9870 -10.9870 -3.2457 -3.2457 -2.2852 -2.2852 -1.7480 -1.7480 -1.4888 -1.4888 -0.9892 -0.9892 -0.9284 -0.9284 -0.1814 -0.1814 0.2739 0.2739 0.6803 0.6803 0.8664 0.8664 0.9372 0.9372 1.0305 1.0305 1.2317 1.2317 1.3304 1.3304 1.4192 1.4192 1.8111 1.8111 1.8638 1.8638 1.9798 1.9798 7.6515 7.6515 8.2113 8.2113 9.8639 9.8639 10.0888 10.0888 10.2619 10.2619 k = 0.2639 0.1521 0.1801 ( 6283 PWs) bands (ev): -12.5039 -12.5039 -11.5247 -11.5247 -11.4274 -11.4274 -11.3640 -11.3640 -11.0517 -11.0517 -10.9868 -10.9868 -3.2629 -3.2629 -2.2945 -2.2945 -1.7346 -1.7346 -1.5004 -1.5004 -0.9958 -0.9958 -0.9626 -0.9626 -0.2085 -0.2085 0.2969 0.2969 0.6809 0.6809 0.8573 0.8573 0.9915 0.9915 1.0414 1.0414 1.2205 1.2205 1.3351 1.3351 1.4151 1.4151 1.8163 1.8163 1.8697 1.8697 1.9869 1.9869 7.6649 7.6649 8.1966 8.1966 9.8511 9.8511 10.0764 10.0764 10.2265 10.2265 k = 0.2500 0.1441 0.1707 ( 6280 PWs) bands (ev): -12.5233 -12.5233 -11.5041 -11.5041 -11.4292 -11.4292 -11.3611 -11.3611 -11.0448 -11.0448 -10.9867 -10.9867 -3.2798 -3.2798 -2.3043 -2.3043 -1.7216 -1.7216 -1.5087 -1.5087 -1.0059 -1.0059 -0.9905 -0.9905 -0.2441 -0.2441 0.3256 0.3256 0.6730 0.6730 0.8480 0.8480 1.0399 1.0399 1.0615 1.0615 1.2056 1.2056 1.3414 1.3414 1.4161 1.4161 1.8218 1.8218 1.8762 1.8762 1.9941 1.9941 7.6770 7.6770 8.1787 8.1787 9.8346 9.8346 10.0711 10.0711 10.1849 10.1849 k = 0.2361 0.1361 0.1612 ( 6276 PWs) bands (ev): -12.5418 -12.5418 -11.4843 -11.4843 -11.4312 -11.4312 -11.3577 -11.3577 -11.0381 -11.0381 -10.9866 -10.9866 -3.2962 -3.2962 -2.3146 -2.3146 -1.7090 -1.7090 -1.5139 -1.5139 -1.0345 -1.0345 -0.9968 -0.9968 -0.2856 -0.2856 0.3570 0.3570 0.6573 0.6573 0.8420 0.8420 1.0626 1.0626 1.1007 1.1007 1.1928 1.1928 1.3490 1.3490 1.4232 1.4232 1.8276 1.8276 1.8830 1.8830 2.0013 2.0013 7.6877 7.6877 8.1571 8.1571 9.8143 9.8143 10.0732 10.0732 10.1455 10.1455 k = 0.2222 0.1281 0.1517 ( 6281 PWs) bands (ev): -12.5596 -12.5596 -11.4656 -11.4656 -11.4333 -11.4333 -11.3538 -11.3538 -11.0317 -11.0317 -10.9866 -10.9866 -3.3119 -3.3119 -2.3254 -2.3254 -1.6970 -1.6970 -1.5159 -1.5159 -1.0665 -1.0665 -0.9964 -0.9964 -0.3308 -0.3308 0.3888 0.3888 0.6355 0.6355 0.8393 0.8393 1.0780 1.0780 1.1202 1.1202 1.1988 1.1988 1.3602 1.3602 1.4363 1.4363 1.8335 1.8335 1.8901 1.8901 2.0081 2.0081 7.6973 7.6973 8.1316 8.1316 9.7900 9.7900 10.0777 10.0777 10.1175 10.1175 k = 0.2083 0.1201 0.1422 ( 6281 PWs) bands (ev): -12.5764 -12.5764 -11.4489 -11.4489 -11.4343 -11.4343 -11.3497 -11.3497 -11.0257 -11.0257 -10.9866 -10.9866 -3.3269 -3.3269 -2.3364 -2.3364 -1.6855 -1.6855 -1.5149 -1.5149 -1.0978 -1.0978 -0.9933 -0.9933 -0.3783 -0.3783 0.4191 0.4191 0.6103 0.6103 0.8393 0.8393 1.0876 1.0876 1.1131 1.1131 1.2240 1.2240 1.3798 1.3798 1.4545 1.4545 1.8395 1.8395 1.8973 1.8973 2.0146 2.0146 7.7058 7.7058 8.1024 8.1024 9.7611 9.7611 10.0675 10.0675 10.1199 10.1199 k = 0.1944 0.1121 0.1327 ( 6272 PWs) bands (ev): -12.5924 -12.5924 -11.4418 -11.4418 -11.4267 -11.4267 -11.3454 -11.3454 -11.0199 -11.0199 -10.9866 -10.9866 -3.3411 -3.3411 -2.3477 -2.3477 -1.6746 -1.6746 -1.5113 -1.5113 -1.1278 -1.1278 -0.9881 -0.9881 -0.4271 -0.4271 0.4451 0.4451 0.5851 0.5851 0.8410 0.8410 1.0749 1.0749 1.1168 1.1168 1.2440 1.2440 1.4112 1.4112 1.4772 1.4772 1.8455 1.8455 1.9046 1.9046 2.0205 2.0205 7.7134 7.7134 8.0697 8.0697 9.7276 9.7276 10.0525 10.0525 10.1437 10.1437 k = 0.1806 0.1041 0.1233 ( 6271 PWs) bands (ev): -12.6074 -12.6074 -11.4429 -11.4429 -11.4117 -11.4117 -11.3410 -11.3410 -11.0145 -11.0145 -10.9866 -10.9866 -3.3545 -3.3545 -2.3589 -2.3589 -1.6640 -1.6640 -1.5055 -1.5055 -1.1562 -1.1562 -0.9810 -0.9810 -0.4764 -0.4764 0.4614 0.4614 0.5663 0.5663 0.8435 0.8435 1.0500 1.0500 1.1287 1.1287 1.2535 1.2535 1.4514 1.4514 1.5046 1.5046 1.8514 1.8514 1.9119 1.9119 2.0257 2.0257 7.7202 7.7202 8.0340 8.0340 9.6900 9.6900 10.0449 10.0449 10.1768 10.1768 k = 0.1667 0.0960 0.1138 ( 6267 PWs) bands (ev): -12.6214 -12.6214 -11.4450 -11.4450 -11.3967 -11.3967 -11.3366 -11.3366 -11.0096 -11.0096 -10.9866 -10.9866 -3.3669 -3.3669 -2.3701 -2.3701 -1.6536 -1.6536 -1.4981 -1.4981 -1.1827 -1.1827 -0.9724 -0.9724 -0.5255 -0.5255 0.4592 0.4592 0.5632 0.5632 0.8463 0.8463 1.0233 1.0233 1.1406 1.1406 1.2558 1.2558 1.4928 1.4928 1.5382 1.5382 1.8571 1.8571 1.9191 1.9191 2.0302 2.0302 7.7262 7.7262 7.9960 7.9960 9.6494 9.6494 10.0455 10.0455 10.2164 10.2164 k = 0.1528 0.0880 0.1043 ( 6264 PWs) bands (ev): -12.6344 -12.6344 -11.4472 -11.4472 -11.3826 -11.3826 -11.3322 -11.3322 -11.0051 -11.0051 -10.9865 -10.9865 -3.3784 -3.3784 -2.3810 -2.3810 -1.6431 -1.6431 -1.4896 -1.4896 -1.2069 -1.2069 -0.9627 -0.9627 -0.5739 -0.5739 0.4395 0.4395 0.5754 0.5754 0.8490 0.8490 0.9972 0.9972 1.1513 1.1513 1.2543 1.2543 1.5297 1.5297 1.5789 1.5789 1.8627 1.8627 1.9263 1.9263 2.0337 2.0337 7.7316 7.7316 7.9566 7.9566 9.6074 9.6074 10.0533 10.0533 10.2617 10.2617 k = 0.1389 0.0800 0.0948 ( 6268 PWs) bands (ev): -12.6463 -12.6463 -11.4493 -11.4493 -11.3696 -11.3696 -11.3280 -11.3280 -11.0011 -11.0011 -10.9864 -10.9864 -3.3890 -3.3890 -2.3915 -2.3915 -1.6325 -1.6325 -1.4806 -1.4806 -1.2286 -1.2286 -0.9522 -0.9522 -0.6210 -0.6210 0.4121 0.4121 0.5936 0.5936 0.8510 0.8510 0.9729 0.9729 1.1604 1.1604 1.2506 1.2506 1.5626 1.5626 1.6233 1.6233 1.8682 1.8682 1.9336 1.9336 2.0364 2.0364 7.7364 7.7364 7.9167 7.9167 9.5654 9.5654 10.0670 10.0670 10.3118 10.3118 k = 0.1250 0.0720 0.0853 ( 6270 PWs) bands (ev): -12.6572 -12.6572 -11.4513 -11.4513 -11.3577 -11.3577 -11.3239 -11.3239 -10.9978 -10.9978 -10.9861 -10.9861 -3.3985 -3.3985 -2.4015 -2.4015 -1.6217 -1.6217 -1.4717 -1.4717 -1.2474 -1.2474 -0.9416 -0.9416 -0.6660 -0.6660 0.3825 0.3825 0.6126 0.6126 0.8516 0.8516 0.9513 0.9513 1.1679 1.1679 1.2460 1.2460 1.5934 1.5934 1.6671 1.6671 1.8734 1.8734 1.9409 1.9409 2.0380 2.0380 7.7406 7.7406 7.8772 7.8772 9.5245 9.5245 10.0850 10.0850 10.3659 10.3659 k = 0.1111 0.0640 0.0759 ( 6263 PWs) bands (ev): -12.6670 -12.6670 -11.4531 -11.4531 -11.3471 -11.3471 -11.3199 -11.3199 -10.9952 -10.9952 -10.9854 -10.9854 -3.4070 -3.4070 -2.4108 -2.4108 -1.6108 -1.6108 -1.4635 -1.4635 -1.2631 -1.2631 -0.9315 -0.9315 -0.7082 -0.7082 0.3531 0.3531 0.6307 0.6307 0.8501 0.8501 0.9338 0.9338 1.1739 1.1739 1.2409 1.2409 1.6229 1.6229 1.7078 1.7078 1.8785 1.8785 1.9486 1.9486 2.0388 2.0388 7.7442 7.7442 7.8392 7.8392 9.4858 9.4858 10.1060 10.1060 10.4229 10.4229 k = 0.0972 0.0560 0.0664 ( 6263 PWs) bands (ev): -12.6757 -12.6757 -11.4547 -11.4547 -11.3379 -11.3379 -11.3161 -11.3161 -10.9935 -10.9935 -10.9844 -10.9844 -3.4144 -3.4144 -2.4193 -2.4193 -1.6000 -1.6000 -1.4563 -1.4563 -1.2753 -1.2753 -0.9232 -0.9232 -0.7463 -0.7463 0.3250 0.3250 0.6470 0.6470 0.8457 0.8457 0.9214 0.9214 1.1784 1.1784 1.2357 1.2357 1.6511 1.6511 1.7439 1.7439 1.8832 1.8832 1.9568 1.9568 2.0386 2.0386 7.7470 7.7470 7.8037 7.8037 9.4501 9.4501 10.1287 10.1287 10.4820 10.4820 k = 0.0833 0.0480 0.0569 ( 6259 PWs) bands (ev): -12.6832 -12.6832 -11.4561 -11.4561 -11.3301 -11.3301 -11.3123 -11.3123 -10.9925 -10.9925 -10.9829 -10.9829 -3.4209 -3.4209 -2.4269 -2.4269 -1.5896 -1.5896 -1.4505 -1.4505 -1.2840 -1.2840 -0.9183 -0.9183 -0.7785 -0.7785 0.2991 0.2991 0.6611 0.6611 0.8386 0.8386 0.9139 0.9139 1.1816 1.1816 1.2309 1.2309 1.6775 1.6775 1.7745 1.7745 1.8874 1.8874 1.9657 1.9657 2.0377 2.0377 7.7477 7.7477 7.7729 7.7729 9.4181 9.4181 10.1519 10.1519 10.5418 10.5418 k = 0.0694 0.0400 0.0474 ( 6252 PWs) bands (ev): -12.6897 -12.6897 -11.4573 -11.4573 -11.3239 -11.3239 -11.3086 -11.3086 -10.9920 -10.9920 -10.9814 -10.9814 -3.4264 -3.4264 -2.4336 -2.4336 -1.5800 -1.5800 -1.4461 -1.4461 -1.2892 -1.2892 -0.9190 -0.9190 -0.8023 -0.8023 0.2760 0.2760 0.6728 0.6728 0.8302 0.8302 0.9104 0.9104 1.1837 1.1837 1.2266 1.2266 1.7016 1.7016 1.7995 1.7995 1.8905 1.8905 1.9752 1.9752 2.0363 2.0363 7.7356 7.7356 7.7582 7.7582 9.3901 9.3901 10.1743 10.1743 10.6008 10.6008 k = 0.0556 0.0320 0.0379 ( 6259 PWs) bands (ev): -12.6949 -12.6949 -11.4583 -11.4583 -11.3192 -11.3192 -11.3051 -11.3051 -10.9919 -10.9919 -10.9800 -10.9800 -3.4308 -3.4308 -2.4391 -2.4391 -1.5716 -1.5716 -1.4431 -1.4431 -1.2915 -1.2915 -0.9265 -0.9265 -0.8162 -0.8162 0.2563 0.2563 0.6820 0.6820 0.8221 0.8221 0.9091 0.9091 1.1850 1.1850 1.2229 1.2229 1.7227 1.7227 1.8194 1.8194 1.8922 1.8922 1.9849 1.9849 2.0346 2.0346 7.7131 7.7131 7.7578 7.7578 9.3667 9.3667 10.1947 10.1947 10.6574 10.6574 k = 0.0417 0.0240 0.0284 ( 6257 PWs) bands (ev): -12.6990 -12.6990 -11.4591 -11.4591 -11.3160 -11.3160 -11.3020 -11.3020 -10.9918 -10.9918 -10.9788 -10.9788 -3.4343 -3.4343 -2.4435 -2.4435 -1.5647 -1.5647 -1.4411 -1.4411 -1.2916 -1.2916 -0.9387 -0.9387 -0.8217 -0.8217 0.2403 0.2403 0.6887 0.6887 0.8153 0.8153 0.9090 0.9090 1.1855 1.1855 1.2201 1.2201 1.7399 1.7399 1.8351 1.8351 1.8920 1.8920 1.9937 1.9937 2.0331 2.0331 7.6938 7.6938 7.7588 7.7588 9.3481 9.3481 10.2120 10.2120 10.7093 10.7093 k = 0.0278 0.0160 0.0190 ( 6256 PWs) bands (ev): -12.7020 -12.7020 -11.4597 -11.4597 -11.3138 -11.3138 -11.2995 -11.2995 -10.9918 -10.9918 -10.9779 -10.9779 -3.4367 -3.4367 -2.4466 -2.4466 -1.5597 -1.5597 -1.4399 -1.4399 -1.2905 -1.2905 -0.9510 -0.9510 -0.8229 -0.8229 0.2287 0.2287 0.6933 0.6933 0.8105 0.8105 0.9093 0.9093 1.1857 1.1857 1.2181 1.2181 1.7528 1.7528 1.8475 1.8475 1.8900 1.8900 2.0007 2.0007 2.0320 2.0320 7.6795 7.6795 7.7597 7.7597 9.3347 9.3347 10.2252 10.2252 10.7539 10.7539 k = 0.0139 0.0080 0.0095 ( 6250 PWs) bands (ev): -12.7037 -12.7037 -11.4600 -11.4600 -11.3126 -11.3126 -11.2980 -11.2980 -10.9918 -10.9918 -10.9773 -10.9773 -3.4382 -3.4382 -2.4485 -2.4485 -1.5566 -1.5566 -1.4393 -1.4393 -1.2894 -1.2894 -0.9598 -0.9598 -0.8225 -0.8225 0.2215 0.2215 0.6958 0.6958 0.8076 0.8076 0.9096 0.9096 1.1857 1.1857 1.2170 1.2170 1.7607 1.7607 1.8565 1.8565 1.8869 1.8869 2.0051 2.0051 2.0315 2.0315 7.6707 7.6707 7.7603 7.7603 9.3266 9.3266 10.2335 10.2335 10.7869 10.7869 k = 0.0000 0.0000 0.0000 ( 6253 PWs) bands (ev): -12.7043 -12.7043 -11.4601 -11.4601 -11.3122 -11.3122 -11.2974 -11.2974 -10.9918 -10.9918 -10.9772 -10.9772 -3.4387 -3.4387 -2.4492 -2.4492 -1.5556 -1.5556 -1.4391 -1.4391 -1.2889 -1.2889 -0.9630 -0.9630 -0.8223 -0.8223 0.2191 0.2191 0.6966 0.6966 0.8067 0.8067 0.9098 0.9098 1.1857 1.1857 1.2166 1.2166 1.7633 1.7633 1.8602 1.8602 1.8851 1.8851 2.0066 2.0066 2.0313 2.0313 7.6678 7.6678 7.7605 7.7605 9.3239 9.3239 10.2363 10.2363 10.8005 10.8005 Writing output data file AlCl3.save init_run : 0.31s CPU 0.43s WALL ( 1 calls) electrons : 264.60s CPU 276.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 264.60s CPU 276.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.14s WALL ( 302 calls) cegterg : 243.68s CPU 246.07s WALL ( 515 calls) Called by sum_band: Called by *egterg: h_psi : 141.98s CPU 143.52s WALL ( 7928 calls) s_psi : 15.20s CPU 15.32s WALL ( 7928 calls) g_psi : 0.34s CPU 0.39s WALL ( 7111 calls) cdiaghg : 73.09s CPU 73.92s WALL ( 7413 calls) cegterg:over : 10.21s CPU 10.22s WALL ( 7111 calls) cegterg:upda : 9.86s CPU 9.95s WALL ( 7111 calls) cegterg:last : 4.15s CPU 4.19s WALL ( 1122 calls) cdiaghg:chol : 4.15s CPU 4.24s WALL ( 7413 calls) cdiaghg:inve : 3.04s CPU 3.04s WALL ( 7413 calls) cdiaghg:para : 4.76s CPU 4.94s WALL ( 14826 calls) Called by h_psi: h_psi:vloc : 112.54s CPU 114.02s WALL ( 7928 calls) h_psi:vnl : 28.97s CPU 29.09s WALL ( 7928 calls) add_vuspsi : 16.24s CPU 16.11s WALL ( 7928 calls) General routines calbec : 12.69s CPU 12.96s WALL ( 7928 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 106.33s CPU 107.92s WALL ( 862796 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 1.65s WALL ( 604 calls) Parallel routines fft_scatter : 31.90s CPU 32.40s WALL ( 862819 calls) PWSCF : 4m45.16s CPU 6m17.01s WALL This run was terminated on: 18:43: 6 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=