Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 23:50:45 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BaSb3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 27 7 1633 802 118 Max 44 28 8 1639 828 124 Sum 3161 1995 561 117873 58689 8751 bravais-lattice index = 14 lattice parameter (alat) = 13.0022 a.u. unit-cell volume = 1854.9948 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.002242 celldm(2)= 1.000000 celldm(3)= 0.940485 celldm(4)= 0.302560 celldm(5)= 0.302560 celldm(6)= 0.233507 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.233507 0.972355 0.000000 ) a(3) = ( 0.284553 0.224309 0.867887 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.240145 -0.265803 ) b(2) = ( 0.000000 1.028431 -0.265803 ) b(3) = ( 0.000000 0.000000 1.152224 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 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= 227 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0156250 0.0123170 -0.0083063), wk = 0.0044053 k( 3) = ( 0.0312500 0.0246339 -0.0166127), wk = 0.0044053 k( 4) = ( 0.0468750 0.0369509 -0.0249190), wk = 0.0044053 k( 5) = ( 0.0625000 0.0492678 -0.0332253), wk = 0.0044053 k( 6) = ( 0.0781250 0.0615848 -0.0415317), wk = 0.0044053 k( 7) = ( 0.0937500 0.0739018 -0.0498380), wk = 0.0044053 k( 8) = ( 0.1093750 0.0862187 -0.0581443), wk = 0.0044053 k( 9) = ( 0.1250000 0.0985357 -0.0664507), wk = 0.0044053 k( 10) = ( 0.1406250 0.1108526 -0.0747570), wk = 0.0044053 k( 11) = ( 0.1562500 0.1231696 -0.0830633), wk = 0.0044053 k( 12) = ( 0.1718750 0.1354865 -0.0913697), wk = 0.0044053 k( 13) = ( 0.1875000 0.1478035 -0.0996760), wk = 0.0044053 k( 14) = ( 0.2031250 0.1601205 -0.1079823), wk = 0.0044053 k( 15) = ( 0.2187500 0.1724374 -0.1162887), wk = 0.0044053 k( 16) = ( 0.2343750 0.1847544 -0.1245950), wk = 0.0044053 k( 17) = ( 0.2500000 0.1970713 -0.1329013), wk = 0.0044053 k( 18) = ( 0.2656250 0.2093883 -0.1412077), wk = 0.0044053 k( 19) = ( 0.2812500 0.2217053 -0.1495140), wk = 0.0044053 k( 20) = ( 0.2968750 0.2340222 -0.1578203), wk = 0.0044053 k( 21) = ( 0.3125000 0.2463392 -0.1661267), wk = 0.0044053 k( 22) = ( 0.3281250 0.2586561 -0.1744330), wk = 0.0044053 k( 23) = ( 0.3437500 0.2709731 -0.1827393), wk = 0.0044053 k( 24) = ( 0.3593750 0.2832901 -0.1910457), wk = 0.0044053 k( 25) = ( 0.3750000 0.2956070 -0.1993520), wk = 0.0044053 k( 26) = ( 0.3906250 0.3079240 -0.2076583), wk = 0.0044053 k( 27) = ( 0.4062500 0.3202409 -0.2159647), wk = 0.0044053 k( 28) = ( 0.4218750 0.3325579 -0.2242710), wk = 0.0044053 k( 29) = ( 0.4375000 0.3448748 -0.2325773), wk = 0.0044053 k( 30) = ( 0.4531250 0.3571918 -0.2408837), wk = 0.0044053 k( 31) = ( 0.4687500 0.3695088 -0.2491900), wk = 0.0044053 k( 32) = ( 0.4843750 0.3818257 -0.2574963), wk = 0.0044053 k( 33) = ( 0.5000000 0.3941427 -0.2658027), wk = 0.0044053 k( 34) = ( 0.5000000 0.3941427 -0.2658027), wk = 0.0044053 k( 35) = ( 0.5063588 0.3991552 -0.2464083), wk = 0.0044053 k( 36) = ( 0.5127176 0.4041678 -0.2270140), wk = 0.0044053 k( 37) = ( 0.5190764 0.4091804 -0.2076196), wk = 0.0044053 k( 38) = ( 0.5254352 0.4141929 -0.1882253), wk = 0.0044053 k( 39) = ( 0.5317941 0.4192055 -0.1688309), wk = 0.0044053 k( 40) = ( 0.5381529 0.4242180 -0.1494366), wk = 0.0044053 k( 41) = ( 0.5445117 0.4292306 -0.1300423), wk = 0.0044053 k( 42) = ( 0.5508705 0.4342431 -0.1106479), wk = 0.0044053 k( 43) = ( 0.5572293 0.4392557 -0.0912536), wk = 0.0044053 k( 44) = ( 0.5635881 0.4442683 -0.0718592), wk = 0.0044053 k( 45) = ( 0.5699469 0.4492808 -0.0524649), wk = 0.0044053 k( 46) = ( 0.5763057 0.4542934 -0.0330706), wk = 0.0044053 k( 47) = ( 0.5826645 0.4593059 -0.0136762), wk = 0.0044053 k( 48) = ( 0.5890233 0.4643185 0.0057181), wk = 0.0044053 k( 49) = ( 0.5953821 0.4693310 0.0251125), wk = 0.0044053 k( 50) = ( 0.6017410 0.4743436 0.0445068), wk = 0.0044053 k( 51) = ( 0.6017410 0.4743436 0.0445068), wk = 0.0044053 k( 52) = ( 0.5944737 0.4686150 0.0634927), wk = 0.0044053 k( 53) = ( 0.5872065 0.4628863 0.0824786), wk = 0.0044053 k( 54) = ( 0.5799393 0.4571577 0.1014645), wk = 0.0044053 k( 55) = ( 0.5726721 0.4514290 0.1204504), wk = 0.0044053 k( 56) = ( 0.5654049 0.4457004 0.1394363), wk = 0.0044053 k( 57) = ( 0.5581377 0.4399718 0.1584222), wk = 0.0044053 k( 58) = ( 0.5508705 0.4342431 0.1774081), wk = 0.0044053 k( 59) = ( 0.5436033 0.4285145 0.1963940), wk = 0.0044053 k( 60) = ( 0.5363361 0.4227859 0.2153799), wk = 0.0044053 k( 61) = ( 0.5290688 0.4170572 0.2343659), wk = 0.0044053 k( 62) = ( 0.5218016 0.4113286 0.2533518), wk = 0.0044053 k( 63) = ( 0.5145344 0.4056000 0.2723377), wk = 0.0044053 k( 64) = ( 0.5072672 0.3998713 0.2913236), wk = 0.0044053 k( 65) = ( 0.5000000 0.3941427 0.3103095), wk = 0.0044053 k( 66) = ( 0.5000000 0.3941427 0.3103095), wk = 0.0044053 k( 67) = ( 0.5132107 0.3773839 0.3103095), wk = 0.0044053 k( 68) = ( 0.5264214 0.3606252 0.3103095), wk = 0.0044053 k( 69) = ( 0.5396320 0.3438664 0.3103095), wk = 0.0044053 k( 70) = ( 0.5528427 0.3271077 0.3103095), wk = 0.0044053 k( 71) = ( 0.5660534 0.3103489 0.3103095), wk = 0.0044053 k( 72) = ( 0.5792641 0.2935902 0.3103095), wk = 0.0044053 k( 73) = ( 0.5924748 0.2768314 0.3103095), wk = 0.0044053 k( 74) = ( 0.6056854 0.2600727 0.3103095), wk = 0.0044053 k( 75) = ( 0.6188961 0.2433139 0.3103095), wk = 0.0044053 k( 76) = ( 0.6321068 0.2265552 0.3103095), wk = 0.0044053 k( 77) = ( 0.6453175 0.2097964 0.3103095), wk = 0.0044053 k( 78) = ( 0.6585282 0.1930376 0.3103095), wk = 0.0044053 k( 79) = ( 0.6717388 0.1762789 0.3103095), wk = 0.0044053 k( 80) = ( 0.6849495 0.1595201 0.3103095), wk = 0.0044053 k( 81) = ( 0.3150505 -0.3996655 0.5761121), wk = 0.0044053 k( 82) = ( 0.3019234 -0.3830128 0.5761121), wk = 0.0044053 k( 83) = ( 0.2887963 -0.3663601 0.5761121), wk = 0.0044053 k( 84) = ( 0.2756692 -0.3497073 0.5761121), wk = 0.0044053 k( 85) = ( 0.2625421 -0.3330546 0.5761121), wk = 0.0044053 k( 86) = ( 0.2494150 -0.3164019 0.5761121), wk = 0.0044053 k( 87) = ( 0.2362879 -0.2997491 0.5761121), wk = 0.0044053 k( 88) = ( 0.2231607 -0.2830964 0.5761121), wk = 0.0044053 k( 89) = ( 0.2100336 -0.2664437 0.5761121), wk = 0.0044053 k( 90) = ( 0.1969066 -0.2497909 0.5761121), wk = 0.0044053 k( 91) = ( 0.1837794 -0.2331382 0.5761121), wk = 0.0044053 k( 92) = ( 0.1706523 -0.2164855 0.5761121), wk = 0.0044053 k( 93) = ( 0.1575252 -0.1998328 0.5761121), wk = 0.0044053 k( 94) = ( 0.1443981 -0.1831800 0.5761121), wk = 0.0044053 k( 95) = ( 0.1312710 -0.1665273 0.5761121), wk = 0.0044053 k( 96) = ( 0.1181439 -0.1498746 0.5761121), wk = 0.0044053 k( 97) = ( 0.1050168 -0.1332218 0.5761121), wk = 0.0044053 k( 98) = ( 0.0918897 -0.1165691 0.5761121), wk = 0.0044053 k( 99) = ( 0.0787626 -0.0999164 0.5761121), wk = 0.0044053 k( 100) = ( 0.0656355 -0.0832637 0.5761121), wk = 0.0044053 k( 101) = ( 0.0525084 -0.0666109 0.5761121), wk = 0.0044053 k( 102) = ( 0.0393813 -0.0499582 0.5761121), wk = 0.0044053 k( 103) = ( 0.0262542 -0.0333055 0.5761121), wk = 0.0044053 k( 104) = ( 0.0131271 -0.0166527 0.5761121), wk = 0.0044053 k( 105) = ( 0.0000000 0.0000000 0.5761121), wk = 0.0044053 k( 106) = ( 0.0000000 0.0000000 0.5761121), wk = 0.0044053 k( 107) = ( 0.0165941 0.0130809 0.5761121), wk = 0.0044053 k( 108) = ( 0.0331883 0.0261618 0.5761121), wk = 0.0044053 k( 109) = ( 0.0497824 0.0392427 0.5761121), wk = 0.0044053 k( 110) = ( 0.0663765 0.0523236 0.5761121), wk = 0.0044053 k( 111) = ( 0.0829706 0.0654045 0.5761121), wk = 0.0044053 k( 112) = ( 0.0995648 0.0784854 0.5761121), wk = 0.0044053 k( 113) = ( 0.1161589 0.0915664 0.5761121), wk = 0.0044053 k( 114) = ( 0.1327530 0.1046473 0.5761121), wk = 0.0044053 k( 115) = ( 0.1493471 0.1177282 0.5761121), wk = 0.0044053 k( 116) = ( 0.1659413 0.1308091 0.5761121), wk = 0.0044053 k( 117) = ( 0.1825354 0.1438900 0.5761121), wk = 0.0044053 k( 118) = ( 0.1991295 0.1569709 0.5761121), wk = 0.0044053 k( 119) = ( 0.2157236 0.1700518 0.5761121), wk = 0.0044053 k( 120) = ( 0.2323178 0.1831327 0.5761121), wk = 0.0044053 k( 121) = ( 0.2489119 0.1962136 0.5761121), wk = 0.0044053 k( 122) = ( 0.2655060 0.2092945 0.5761121), wk = 0.0044053 k( 123) = ( 0.2821002 0.2223754 0.5761121), wk = 0.0044053 k( 124) = ( 0.2986943 0.2354563 0.5761121), wk = 0.0044053 k( 125) = ( 0.3152884 0.2485372 0.5761121), wk = 0.0044053 k( 126) = ( 0.3318825 0.2616182 0.5761121), wk = 0.0044053 k( 127) = ( 0.3484767 0.2746991 0.5761121), wk = 0.0044053 k( 128) = ( 0.3650708 0.2877800 0.5761121), wk = 0.0044053 k( 129) = ( 0.3816649 0.3008609 0.5761121), wk = 0.0044053 k( 130) = ( 0.3982591 0.3139418 0.5761121), wk = 0.0044053 k( 131) = ( 0.5000000 0.3941427 -0.2658027), wk = 0.0044053 k( 132) = ( 0.5135150 0.3769979 -0.2658027), wk = 0.0044053 k( 133) = ( 0.5270299 0.3598532 -0.2658027), wk = 0.0044053 k( 134) = ( 0.5405449 0.3427084 -0.2658027), wk = 0.0044053 k( 135) = ( 0.5540598 0.3255637 -0.2658027), wk = 0.0044053 k( 136) = ( 0.5675748 0.3084190 -0.2658027), wk = 0.0044053 k( 137) = ( 0.4324252 -0.5485643 0.0000000), wk = 0.0044053 k( 138) = ( 0.4189119 -0.5314217 0.0000000), wk = 0.0044053 k( 139) = ( 0.4053987 -0.5142791 0.0000000), wk = 0.0044053 k( 140) = ( 0.3918854 -0.4971364 0.0000000), wk = 0.0044053 k( 141) = ( 0.3783721 -0.4799938 0.0000000), wk = 0.0044053 k( 142) = ( 0.3648588 -0.4628511 0.0000000), wk = 0.0044053 k( 143) = ( 0.3513455 -0.4457085 0.0000000), wk = 0.0044053 k( 144) = ( 0.3378322 -0.4285659 0.0000000), wk = 0.0044053 k( 145) = ( 0.3243189 -0.4114233 0.0000000), wk = 0.0044053 k( 146) = ( 0.3108056 -0.3942806 0.0000000), wk = 0.0044053 k( 147) = ( 0.2972923 -0.3771380 0.0000000), wk = 0.0044053 k( 148) = ( 0.2837791 -0.3599953 0.0000000), wk = 0.0044053 k( 149) = ( 0.2702658 -0.3428527 0.0000000), wk = 0.0044053 k( 150) = ( 0.2567525 -0.3257101 0.0000000), wk = 0.0044053 k( 151) = ( 0.2432392 -0.3085674 0.0000000), wk = 0.0044053 k( 152) = ( 0.2297259 -0.2914248 0.0000000), wk = 0.0044053 k( 153) = ( 0.2162126 -0.2742822 0.0000000), wk = 0.0044053 k( 154) = ( 0.2026993 -0.2571395 0.0000000), wk = 0.0044053 k( 155) = ( 0.1891860 -0.2399969 0.0000000), wk = 0.0044053 k( 156) = ( 0.1756727 -0.2228543 0.0000000), wk = 0.0044053 k( 157) = ( 0.1621595 -0.2057116 0.0000000), wk = 0.0044053 k( 158) = ( 0.1486462 -0.1885690 0.0000000), wk = 0.0044053 k( 159) = ( 0.1351329 -0.1714264 0.0000000), wk = 0.0044053 k( 160) = ( 0.1216196 -0.1542837 0.0000000), wk = 0.0044053 k( 161) = ( 0.1081063 -0.1371411 0.0000000), wk = 0.0044053 k( 162) = ( 0.0945930 -0.1199984 0.0000000), wk = 0.0044053 k( 163) = ( 0.0810797 -0.1028558 0.0000000), wk = 0.0044053 k( 164) = ( 0.0675664 -0.0857132 0.0000000), wk = 0.0044053 k( 165) = ( 0.0540532 -0.0685705 0.0000000), wk = 0.0044053 k( 166) = ( 0.0405399 -0.0514279 0.0000000), wk = 0.0044053 k( 167) = ( 0.0270266 -0.0342853 0.0000000), wk = 0.0044053 k( 168) = ( 0.0135133 -0.0171426 0.0000000), wk = 0.0044053 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 171) = ( 0.0200000 -0.0048029 -0.0053161), wk = 0.0044053 k( 172) = ( 0.0400000 -0.0096058 -0.0106321), wk = 0.0044053 k( 173) = ( 0.0600000 -0.0144087 -0.0159482), wk = 0.0044053 k( 174) = ( 0.0800000 -0.0192116 -0.0212642), wk = 0.0044053 k( 175) = ( 0.1000000 -0.0240145 -0.0265803), wk = 0.0044053 k( 176) = ( 0.1200000 -0.0288174 -0.0318963), wk = 0.0044053 k( 177) = ( 0.1400000 -0.0336204 -0.0372124), wk = 0.0044053 k( 178) = ( 0.1600000 -0.0384233 -0.0425284), wk = 0.0044053 k( 179) = ( 0.1800000 -0.0432262 -0.0478445), wk = 0.0044053 k( 180) = ( 0.2000000 -0.0480291 -0.0531605), wk = 0.0044053 k( 181) = ( 0.2200000 -0.0528320 -0.0584766), wk = 0.0044053 k( 182) = ( 0.2400000 -0.0576349 -0.0637926), wk = 0.0044053 k( 183) = ( 0.2600000 -0.0624378 -0.0691087), wk = 0.0044053 k( 184) = ( 0.2800000 -0.0672407 -0.0744247), wk = 0.0044053 k( 185) = ( 0.3000000 -0.0720436 -0.0797408), wk = 0.0044053 k( 186) = ( 0.3200000 -0.0768465 -0.0850568), wk = 0.0044053 k( 187) = ( 0.3400000 -0.0816494 -0.0903729), wk = 0.0044053 k( 188) = ( 0.3600000 -0.0864523 -0.0956890), wk = 0.0044053 k( 189) = ( 0.3800000 -0.0912552 -0.1010050), wk = 0.0044053 k( 190) = ( 0.4000000 -0.0960582 -0.1063211), wk = 0.0044053 k( 191) = ( 0.4200000 -0.1008611 -0.1116371), wk = 0.0044053 k( 192) = ( 0.4400000 -0.1056640 -0.1169532), wk = 0.0044053 k( 193) = ( 0.4600000 -0.1104669 -0.1222692), wk = 0.0044053 k( 194) = ( 0.4800000 -0.1152698 -0.1275853), wk = 0.0044053 k( 195) = ( 0.5000000 -0.1200727 -0.1329013), wk = 0.0044053 k( 196) = ( 0.5000000 -0.1200727 0.4432108), wk = 0.0044053 k( 197) = ( 0.4838710 -0.1161994 0.4289137), wk = 0.0044053 k( 198) = ( 0.4677419 -0.1123261 0.4146165), wk = 0.0044053 k( 199) = ( 0.4516129 -0.1084527 0.4003194), wk = 0.0044053 k( 200) = ( 0.4354839 -0.1045794 0.3860223), wk = 0.0044053 k( 201) = ( 0.4193548 -0.1007061 0.3717252), wk = 0.0044053 k( 202) = ( 0.4032258 -0.0968328 0.3574281), wk = 0.0044053 k( 203) = ( 0.3870968 -0.0929595 0.3431309), wk = 0.0044053 k( 204) = ( 0.3709677 -0.0890862 0.3288338), wk = 0.0044053 k( 205) = ( 0.3548387 -0.0852129 0.3145367), wk = 0.0044053 k( 206) = ( 0.3387097 -0.0813396 0.3002396), wk = 0.0044053 k( 207) = ( 0.3225807 -0.0774663 0.2859424), wk = 0.0044053 k( 208) = ( 0.3064516 -0.0735929 0.2716453), wk = 0.0044053 k( 209) = ( 0.2903226 -0.0697196 0.2573482), wk = 0.0044053 k( 210) = ( 0.2741936 -0.0658463 0.2430511), wk = 0.0044053 k( 211) = ( 0.2580645 -0.0619730 0.2287540), wk = 0.0044053 k( 212) = ( 0.2419355 -0.0580997 0.2144568), wk = 0.0044053 k( 213) = ( 0.2258064 -0.0542264 0.2001597), wk = 0.0044053 k( 214) = ( 0.2096774 -0.0503531 0.1858626), wk = 0.0044053 k( 215) = ( 0.1935484 -0.0464798 0.1715655), wk = 0.0044053 k( 216) = ( 0.1774194 -0.0426064 0.1572683), wk = 0.0044053 k( 217) = ( 0.1612903 -0.0387331 0.1429712), wk = 0.0044053 k( 218) = ( 0.1451613 -0.0348598 0.1286741), wk = 0.0044053 k( 219) = ( 0.1290323 -0.0309865 0.1143770), wk = 0.0044053 k( 220) = ( 0.1129032 -0.0271132 0.1000799), wk = 0.0044053 k( 221) = ( 0.0967742 -0.0232399 0.0857827), wk = 0.0044053 k( 222) = ( 0.0806452 -0.0193666 0.0714856), wk = 0.0044053 k( 223) = ( 0.0645161 -0.0154933 0.0571885), wk = 0.0044053 k( 224) = ( 0.0483871 -0.0116199 0.0428914), wk = 0.0044053 k( 225) = ( 0.0322581 -0.0077466 0.0285942), wk = 0.0044053 k( 226) = ( 0.0161290 -0.0038733 0.0142971), wk = 0.0044053 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0044053 k( 3) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0044053 k( 4) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0044053 k( 5) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0044053 k( 6) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0044053 k( 7) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0044053 k( 8) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0044053 k( 9) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0044053 k( 10) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0044053 k( 11) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0044053 k( 12) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0044053 k( 13) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0044053 k( 14) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0044053 k( 15) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0044053 k( 16) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0044053 k( 17) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0044053 k( 18) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0044053 k( 19) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0044053 k( 20) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0044053 k( 21) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0044053 k( 22) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0044053 k( 23) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0044053 k( 24) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0044053 k( 25) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0044053 k( 26) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0044053 k( 27) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0044053 k( 28) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0044053 k( 29) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0044053 k( 30) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0044053 k( 31) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0044053 k( 32) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0044053 k( 33) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 34) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 35) = ( 0.5063588 0.5063588 0.0197659), wk = 0.0044053 k( 36) = ( 0.5127176 0.5127176 0.0395317), wk = 0.0044053 k( 37) = ( 0.5190764 0.5190764 0.0592976), wk = 0.0044053 k( 38) = ( 0.5254352 0.5254352 0.0790635), wk = 0.0044053 k( 39) = ( 0.5317941 0.5317941 0.0988294), wk = 0.0044053 k( 40) = ( 0.5381529 0.5381529 0.1185952), wk = 0.0044053 k( 41) = ( 0.5445117 0.5445117 0.1383611), wk = 0.0044053 k( 42) = ( 0.5508705 0.5508705 0.1581270), wk = 0.0044053 k( 43) = ( 0.5572293 0.5572293 0.1778929), wk = 0.0044053 k( 44) = ( 0.5635881 0.5635881 0.1976587), wk = 0.0044053 k( 45) = ( 0.5699469 0.5699469 0.2174246), wk = 0.0044053 k( 46) = ( 0.5763057 0.5763057 0.2371905), wk = 0.0044053 k( 47) = ( 0.5826645 0.5826645 0.2569564), wk = 0.0044053 k( 48) = ( 0.5890233 0.5890233 0.2767222), wk = 0.0044053 k( 49) = ( 0.5953821 0.5953821 0.2964881), wk = 0.0044053 k( 50) = ( 0.6017410 0.6017410 0.3162540), wk = 0.0044053 k( 51) = ( 0.6017410 0.6017410 0.3162540), wk = 0.0044053 k( 52) = ( 0.5944737 0.5944737 0.3293787), wk = 0.0044053 k( 53) = ( 0.5872065 0.5872065 0.3425034), wk = 0.0044053 k( 54) = ( 0.5799393 0.5799393 0.3556281), wk = 0.0044053 k( 55) = ( 0.5726721 0.5726721 0.3687528), wk = 0.0044053 k( 56) = ( 0.5654049 0.5654049 0.3818776), wk = 0.0044053 k( 57) = ( 0.5581377 0.5581377 0.3950023), wk = 0.0044053 k( 58) = ( 0.5508705 0.5508705 0.4081270), wk = 0.0044053 k( 59) = ( 0.5436033 0.5436033 0.4212517), wk = 0.0044053 k( 60) = ( 0.5363361 0.5363361 0.4343764), wk = 0.0044053 k( 61) = ( 0.5290688 0.5290688 0.4475011), wk = 0.0044053 k( 62) = ( 0.5218016 0.5218016 0.4606259), wk = 0.0044053 k( 63) = ( 0.5145344 0.5145344 0.4737506), wk = 0.0044053 k( 64) = ( 0.5072672 0.5072672 0.4868753), wk = 0.0044053 k( 65) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 66) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 67) = ( 0.5132107 0.4867893 0.5000000), wk = 0.0044053 k( 68) = ( 0.5264214 0.4735786 0.5000000), wk = 0.0044053 k( 69) = ( 0.5396320 0.4603680 0.5000000), wk = 0.0044053 k( 70) = ( 0.5528427 0.4471573 0.5000000), wk = 0.0044053 k( 71) = ( 0.5660534 0.4339466 0.5000000), wk = 0.0044053 k( 72) = ( 0.5792641 0.4207359 0.5000000), wk = 0.0044053 k( 73) = ( 0.5924748 0.4075252 0.5000000), wk = 0.0044053 k( 74) = ( 0.6056854 0.3943146 0.5000000), wk = 0.0044053 k( 75) = ( 0.6188961 0.3811039 0.5000000), wk = 0.0044053 k( 76) = ( 0.6321068 0.3678932 0.5000000), wk = 0.0044053 k( 77) = ( 0.6453175 0.3546825 0.5000000), wk = 0.0044053 k( 78) = ( 0.6585282 0.3414718 0.5000000), wk = 0.0044053 k( 79) = ( 0.6717388 0.3282612 0.5000000), wk = 0.0044053 k( 80) = ( 0.6849495 0.3150505 0.5000000), wk = 0.0044053 k( 81) = ( 0.3150505 -0.3150505 0.5000000), wk = 0.0044053 k( 82) = ( 0.3019234 -0.3019234 0.5000000), wk = 0.0044053 k( 83) = ( 0.2887963 -0.2887963 0.5000000), wk = 0.0044053 k( 84) = ( 0.2756692 -0.2756692 0.5000000), wk = 0.0044053 k( 85) = ( 0.2625421 -0.2625421 0.5000000), wk = 0.0044053 k( 86) = ( 0.2494150 -0.2494150 0.5000000), wk = 0.0044053 k( 87) = ( 0.2362879 -0.2362879 0.5000000), wk = 0.0044053 k( 88) = ( 0.2231607 -0.2231607 0.5000000), wk = 0.0044053 k( 89) = ( 0.2100336 -0.2100337 0.5000000), wk = 0.0044053 k( 90) = ( 0.1969066 -0.1969066 0.5000000), wk = 0.0044053 k( 91) = ( 0.1837794 -0.1837794 0.5000000), wk = 0.0044053 k( 92) = ( 0.1706523 -0.1706523 0.5000000), wk = 0.0044053 k( 93) = ( 0.1575252 -0.1575252 0.5000000), wk = 0.0044053 k( 94) = ( 0.1443981 -0.1443981 0.5000000), wk = 0.0044053 k( 95) = ( 0.1312710 -0.1312710 0.5000000), wk = 0.0044053 k( 96) = ( 0.1181439 -0.1181439 0.5000000), wk = 0.0044053 k( 97) = ( 0.1050168 -0.1050168 0.5000000), wk = 0.0044053 k( 98) = ( 0.0918897 -0.0918897 0.5000000), wk = 0.0044053 k( 99) = ( 0.0787626 -0.0787626 0.5000000), wk = 0.0044053 k( 100) = ( 0.0656355 -0.0656355 0.5000000), wk = 0.0044053 k( 101) = ( 0.0525084 -0.0525084 0.5000000), wk = 0.0044053 k( 102) = ( 0.0393813 -0.0393813 0.5000000), wk = 0.0044053 k( 103) = ( 0.0262542 -0.0262542 0.5000000), wk = 0.0044053 k( 104) = ( 0.0131271 -0.0131271 0.5000000), wk = 0.0044053 k( 105) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 106) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 107) = ( 0.0165941 0.0165941 0.5076561), wk = 0.0044053 k( 108) = ( 0.0331883 0.0331883 0.5153122), wk = 0.0044053 k( 109) = ( 0.0497824 0.0497824 0.5229683), wk = 0.0044053 k( 110) = ( 0.0663765 0.0663765 0.5306243), wk = 0.0044053 k( 111) = ( 0.0829706 0.0829706 0.5382804), wk = 0.0044053 k( 112) = ( 0.0995648 0.0995648 0.5459365), wk = 0.0044053 k( 113) = ( 0.1161589 0.1161589 0.5535926), wk = 0.0044053 k( 114) = ( 0.1327530 0.1327530 0.5612487), wk = 0.0044053 k( 115) = ( 0.1493471 0.1493471 0.5689048), wk = 0.0044053 k( 116) = ( 0.1659413 0.1659413 0.5765608), wk = 0.0044053 k( 117) = ( 0.1825354 0.1825354 0.5842169), wk = 0.0044053 k( 118) = ( 0.1991295 0.1991295 0.5918730), wk = 0.0044053 k( 119) = ( 0.2157236 0.2157237 0.5995291), wk = 0.0044053 k( 120) = ( 0.2323178 0.2323178 0.6071852), wk = 0.0044053 k( 121) = ( 0.2489119 0.2489119 0.6148413), wk = 0.0044053 k( 122) = ( 0.2655060 0.2655060 0.6224973), wk = 0.0044053 k( 123) = ( 0.2821002 0.2821002 0.6301534), wk = 0.0044053 k( 124) = ( 0.2986943 0.2986943 0.6378095), wk = 0.0044053 k( 125) = ( 0.3152884 0.3152884 0.6454656), wk = 0.0044053 k( 126) = ( 0.3318825 0.3318825 0.6531217), wk = 0.0044053 k( 127) = ( 0.3484767 0.3484767 0.6607778), wk = 0.0044053 k( 128) = ( 0.3650708 0.3650708 0.6684338), wk = 0.0044053 k( 129) = ( 0.3816649 0.3816649 0.6760899), wk = 0.0044053 k( 130) = ( 0.3982591 0.3982591 0.6837460), wk = 0.0044053 k( 131) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0044053 k( 132) = ( 0.5135150 0.4864850 -0.0000000), wk = 0.0044053 k( 133) = ( 0.5270299 0.4729701 0.0000000), wk = 0.0044053 k( 134) = ( 0.5405449 0.4594551 0.0000000), wk = 0.0044053 k( 135) = ( 0.5540598 0.4459402 -0.0000000), wk = 0.0044053 k( 136) = ( 0.5675748 0.4324252 0.0000000), wk = 0.0044053 k( 137) = ( 0.4324252 -0.4324252 0.0000000), wk = 0.0044053 k( 138) = ( 0.4189119 -0.4189119 0.0000000), wk = 0.0044053 k( 139) = ( 0.4053987 -0.4053987 0.0000000), wk = 0.0044053 k( 140) = ( 0.3918854 -0.3918854 -0.0000000), wk = 0.0044053 k( 141) = ( 0.3783721 -0.3783721 0.0000000), wk = 0.0044053 k( 142) = ( 0.3648588 -0.3648588 0.0000000), wk = 0.0044053 k( 143) = ( 0.3513455 -0.3513455 -0.0000000), wk = 0.0044053 k( 144) = ( 0.3378322 -0.3378322 -0.0000000), wk = 0.0044053 k( 145) = ( 0.3243189 -0.3243189 -0.0000000), wk = 0.0044053 k( 146) = ( 0.3108056 -0.3108056 0.0000000), wk = 0.0044053 k( 147) = ( 0.2972923 -0.2972924 -0.0000000), wk = 0.0044053 k( 148) = ( 0.2837791 -0.2837791 -0.0000000), wk = 0.0044053 k( 149) = ( 0.2702658 -0.2702658 0.0000000), wk = 0.0044053 k( 150) = ( 0.2567525 -0.2567525 0.0000000), wk = 0.0044053 k( 151) = ( 0.2432392 -0.2432392 0.0000000), wk = 0.0044053 k( 152) = ( 0.2297259 -0.2297259 -0.0000000), wk = 0.0044053 k( 153) = ( 0.2162126 -0.2162126 0.0000000), wk = 0.0044053 k( 154) = ( 0.2026993 -0.2026993 0.0000000), wk = 0.0044053 k( 155) = ( 0.1891860 -0.1891860 0.0000000), wk = 0.0044053 k( 156) = ( 0.1756727 -0.1756727 0.0000000), wk = 0.0044053 k( 157) = ( 0.1621595 -0.1621595 -0.0000000), wk = 0.0044053 k( 158) = ( 0.1486462 -0.1486462 0.0000000), wk = 0.0044053 k( 159) = ( 0.1351329 -0.1351329 0.0000000), wk = 0.0044053 k( 160) = ( 0.1216196 -0.1216196 0.0000000), wk = 0.0044053 k( 161) = ( 0.1081063 -0.1081063 0.0000000), wk = 0.0044053 k( 162) = ( 0.0945930 -0.0945930 0.0000000), wk = 0.0044053 k( 163) = ( 0.0810797 -0.0810797 -0.0000000), wk = 0.0044053 k( 164) = ( 0.0675664 -0.0675664 -0.0000000), wk = 0.0044053 k( 165) = ( 0.0540532 -0.0540532 0.0000000), wk = 0.0044053 k( 166) = ( 0.0405399 -0.0405399 0.0000000), wk = 0.0044053 k( 167) = ( 0.0270266 -0.0270266 -0.0000000), wk = 0.0044053 k( 168) = ( 0.0135133 -0.0135133 -0.0000000), wk = 0.0044053 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 171) = ( 0.0200000 0.0000000 -0.0000000), wk = 0.0044053 k( 172) = ( 0.0400000 0.0000000 -0.0000000), wk = 0.0044053 k( 173) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0044053 k( 174) = ( 0.0800000 0.0000000 -0.0000000), wk = 0.0044053 k( 175) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0044053 k( 176) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0044053 k( 177) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0044053 k( 178) = ( 0.1600000 0.0000000 -0.0000000), wk = 0.0044053 k( 179) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0044053 k( 180) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0044053 k( 181) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0044053 k( 182) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0044053 k( 183) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0044053 k( 184) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0044053 k( 185) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0044053 k( 186) = ( 0.3200000 0.0000000 -0.0000000), wk = 0.0044053 k( 187) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0044053 k( 188) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0044053 k( 189) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0044053 k( 190) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0044053 k( 191) = ( 0.4200000 0.0000000 -0.0000000), wk = 0.0044053 k( 192) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0044053 k( 193) = ( 0.4600000 0.0000000 -0.0000000), wk = 0.0044053 k( 194) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0044053 k( 195) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0044053 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044053 k( 197) = ( 0.4838710 -0.0000000 0.4838710), wk = 0.0044053 k( 198) = ( 0.4677419 -0.0000000 0.4677419), wk = 0.0044053 k( 199) = ( 0.4516129 -0.0000000 0.4516129), wk = 0.0044053 k( 200) = ( 0.4354839 -0.0000000 0.4354839), wk = 0.0044053 k( 201) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0044053 k( 202) = ( 0.4032258 -0.0000000 0.4032258), wk = 0.0044053 k( 203) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0044053 k( 204) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0044053 k( 205) = ( 0.3548387 -0.0000000 0.3548387), wk = 0.0044053 k( 206) = ( 0.3387097 -0.0000000 0.3387097), wk = 0.0044053 k( 207) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0044053 k( 208) = ( 0.3064516 -0.0000000 0.3064516), wk = 0.0044053 k( 209) = ( 0.2903226 -0.0000000 0.2903226), wk = 0.0044053 k( 210) = ( 0.2741936 -0.0000000 0.2741936), wk = 0.0044053 k( 211) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0044053 k( 212) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0044053 k( 213) = ( 0.2258064 -0.0000000 0.2258065), wk = 0.0044053 k( 214) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0044053 k( 215) = ( 0.1935484 -0.0000000 0.1935484), wk = 0.0044053 k( 216) = ( 0.1774194 -0.0000000 0.1774194), wk = 0.0044053 k( 217) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0044053 k( 218) = ( 0.1451613 -0.0000000 0.1451613), wk = 0.0044053 k( 219) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0044053 k( 220) = ( 0.1129032 -0.0000000 0.1129032), wk = 0.0044053 k( 221) = ( 0.0967742 -0.0000000 0.0967742), wk = 0.0044053 k( 222) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0044053 k( 223) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0044053 k( 224) = ( 0.0483871 -0.0000000 0.0483871), wk = 0.0044053 k( 225) = ( 0.0322581 -0.0000000 0.0322581), wk = 0.0044053 k( 226) = ( 0.0161290 -0.0000000 0.0161290), wk = 0.0044053 k( 227) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 Dense grid: 117873 G-vectors FFT dimensions: ( 72, 72, 64) Smooth grid: 58689 G-vectors FFT dimensions: ( 54, 54, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 210, 60) NL pseudopotentials 0.44 Mb ( 105, 274) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1639) G-vector shells 0.01 Mb ( 1639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 210, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.50 Mb ( 274, 2, 60) The potential is recalculated from file : ./BaSb3.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.8 secs Computing kpt #: 4 total cpu time spent up to now is 11.0 secs Computing kpt #: 5 total cpu time spent up to now is 13.0 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 17.0 secs Computing kpt #: 8 total cpu time spent up to now is 18.7 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.1 secs Computing kpt #: 11 total cpu time spent up to now is 24.0 secs Computing kpt #: 12 total cpu time spent up to now is 25.5 secs Computing kpt #: 13 total cpu time spent up to now is 27.1 secs Computing kpt #: 14 total cpu time spent up to now is 28.5 secs Computing kpt #: 15 total cpu time spent up to now is 29.9 secs Computing kpt #: 16 total cpu time spent up to now is 31.4 secs Computing kpt #: 17 total cpu time spent up to now is 33.2 secs Computing kpt #: 18 total cpu time spent up to now is 34.9 secs Computing kpt #: 19 total cpu time spent up to now is 36.8 secs Computing kpt #: 20 total cpu time spent up to now is 38.6 secs Computing kpt #: 21 total cpu time spent up to now is 40.0 secs Computing kpt #: 22 total cpu time spent up to now is 41.4 secs Computing kpt #: 23 total cpu time spent up to now is 42.8 secs Computing kpt #: 24 total cpu time spent up to now is 44.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.3 secs Computing kpt #: 26 total cpu time spent up to now is 46.8 secs Computing kpt #: 27 total cpu time spent up to now is 47.9 secs Computing kpt #: 28 total cpu time spent up to now is 49.0 secs Computing kpt #: 29 total cpu time spent up to now is 50.0 secs Computing kpt #: 30 total cpu time spent up to now is 50.9 secs Computing kpt #: 31 total cpu time spent up to now is 52.0 secs Computing kpt #: 32 total cpu time spent up to now is 53.1 secs Computing kpt #: 33 total cpu time spent up to now is 54.1 secs Computing kpt #: 34 total cpu time spent up to now is 55.2 secs Computing kpt #: 35 total cpu time spent up to now is 56.3 secs Computing kpt #: 36 total cpu time spent up to now is 57.4 secs Computing kpt #: 37 total cpu time spent up to now is 58.5 secs Computing kpt #: 38 total cpu time spent up to now is 59.6 secs Computing kpt #: 39 total cpu time spent up to now is 60.7 secs Computing kpt #: 40 total cpu time spent up to now is 62.0 secs Computing kpt #: 41 total cpu time spent up to now is 63.5 secs Computing kpt #: 42 total cpu time spent up to now is 65.0 secs Computing kpt #: 43 total cpu time spent up to now is 66.9 secs Computing kpt #: 44 total cpu time spent up to now is 68.8 secs Computing kpt #: 45 total cpu time spent up to now is 70.7 secs Computing kpt #: 46 total cpu time spent up to now is 72.3 secs Computing kpt #: 47 total cpu time spent up to now is 73.9 secs Computing kpt #: 48 total cpu time spent up to now is 75.3 secs Computing kpt #: 49 total cpu time spent up to now is 76.6 secs Computing kpt #: 50 total cpu time spent up to now is 77.8 secs Computing kpt #: 51 total cpu time spent up to now is 79.0 secs Computing kpt #: 52 total cpu time spent up to now is 80.3 secs Computing kpt #: 53 total cpu time spent up to now is 81.5 secs Computing kpt #: 54 total cpu time spent up to now is 82.8 secs Computing kpt #: 55 total cpu time spent up to now is 84.2 secs Computing kpt #: 56 total cpu time spent up to now is 85.8 secs Computing kpt #: 57 total cpu time spent up to now is 87.5 secs Computing kpt #: 58 total cpu time spent up to now is 89.1 secs Computing kpt #: 59 total cpu time spent up to now is 90.7 secs Computing kpt #: 60 total cpu time spent up to now is 92.2 secs Computing kpt #: 61 total cpu time spent up to now is 94.0 secs Computing kpt #: 62 total cpu time spent up to now is 95.9 secs Computing kpt #: 63 total cpu time spent up to now is 97.8 secs Computing kpt #: 64 total cpu time spent up to now is 99.5 secs Computing kpt #: 65 total cpu time spent up to now is 101.0 secs Computing kpt #: 66 total cpu time spent up to now is 102.7 secs Computing kpt #: 67 total cpu time spent up to now is 104.4 secs Computing kpt #: 68 total cpu time spent up to now is 106.0 secs Computing kpt #: 69 total cpu time spent up to now is 107.6 secs Computing kpt #: 70 total cpu time spent up to now is 109.2 secs Computing kpt #: 71 total cpu time spent up to now is 111.0 secs Computing kpt #: 72 total cpu time spent up to now is 112.9 secs Computing kpt #: 73 total cpu time spent up to now is 114.7 secs Computing kpt #: 74 total cpu time spent up to now is 116.6 secs Computing kpt #: 75 total cpu time spent up to now is 118.4 secs Computing kpt #: 76 total cpu time spent up to now is 120.5 secs Computing kpt #: 77 total cpu time spent up to now is 123.2 secs Computing kpt #: 78 total cpu time spent up to now is 125.2 secs Computing kpt #: 79 total cpu time spent up to now is 127.3 secs Computing kpt #: 80 total cpu time spent up to now is 129.3 secs Computing kpt #: 81 total cpu time spent up to now is 131.1 secs Computing kpt #: 82 total cpu time spent up to now is 133.1 secs Computing kpt #: 83 total cpu time spent up to now is 135.1 secs Computing kpt #: 84 total cpu time spent up to now is 137.0 secs Computing kpt #: 85 total cpu time spent up to now is 138.8 secs Computing kpt #: 86 total cpu time spent up to now is 140.6 secs Computing kpt #: 87 total cpu time spent up to now is 142.4 secs Computing kpt #: 88 total cpu time spent up to now is 144.0 secs Computing kpt #: 89 total cpu time spent up to now is 145.8 secs Computing kpt #: 90 total cpu time spent up to now is 147.6 secs Computing kpt #: 91 total cpu time spent up to now is 149.5 secs Computing kpt #: 92 total cpu time spent up to now is 151.4 secs Computing kpt #: 93 total cpu time spent up to now is 153.1 secs Computing kpt #: 94 total cpu time spent up to now is 154.7 secs Computing kpt #: 95 total cpu time spent up to now is 156.2 secs Computing kpt #: 96 total cpu time spent up to now is 157.5 secs Computing kpt #: 97 total cpu time spent up to now is 158.8 secs Computing kpt #: 98 total cpu time spent up to now is 160.2 secs Computing kpt #: 99 total cpu time spent up to now is 161.6 secs Computing kpt #: 100 total cpu time spent up to now is 163.7 secs Computing kpt #: 101 total cpu time spent up to now is 165.3 secs Computing kpt #: 102 total cpu time spent up to now is 166.7 secs Computing kpt #: 103 total cpu time spent up to now is 168.2 secs Computing kpt #: 104 total cpu time spent up to now is 169.7 secs Computing kpt #: 105 total cpu time spent up to now is 171.2 secs Computing kpt #: 106 total cpu time spent up to now is 172.7 secs Computing kpt #: 107 total cpu time spent up to now is 174.0 secs Computing kpt #: 108 total cpu time spent up to now is 175.5 secs Computing kpt #: 109 total cpu time spent up to now is 176.9 secs Computing kpt #: 110 total cpu time spent up to now is 178.4 secs Computing kpt #: 111 total cpu time spent up to now is 179.8 secs Computing kpt #: 112 total cpu time spent up to now is 181.5 secs Computing kpt #: 113 total cpu time spent up to now is 183.0 secs Computing kpt #: 114 total cpu time spent up to now is 184.5 secs Computing kpt #: 115 total cpu time spent up to now is 186.0 secs Computing kpt #: 116 total cpu time spent up to now is 187.5 secs Computing kpt #: 117 total cpu time spent up to now is 188.9 secs Computing kpt #: 118 total cpu time spent up to now is 190.3 secs Computing kpt #: 119 total cpu time spent up to now is 191.6 secs Computing kpt #: 120 total cpu time spent up to now is 192.8 secs Computing kpt #: 121 total cpu time spent up to now is 194.1 secs Computing kpt #: 122 total cpu time spent up to now is 195.1 secs Computing kpt #: 123 total cpu time spent up to now is 196.3 secs Computing kpt #: 124 total cpu time spent up to now is 197.5 secs Computing kpt #: 125 total cpu time spent up to now is 198.6 secs Computing kpt #: 126 total cpu time spent up to now is 199.8 secs Computing kpt #: 127 total cpu time spent up to now is 200.9 secs Computing kpt #: 128 total cpu time spent up to now is 202.1 secs Computing kpt #: 129 total cpu time spent up to now is 203.3 secs Computing kpt #: 130 total cpu time spent up to now is 204.5 secs Computing kpt #: 131 total cpu time spent up to now is 205.6 secs Computing kpt #: 132 total cpu time spent up to now is 206.7 secs Computing kpt #: 133 total cpu time spent up to now is 207.7 secs Computing kpt #: 134 total cpu time spent up to now is 208.8 secs Computing kpt #: 135 total cpu time spent up to now is 209.9 secs Computing kpt #: 136 total cpu time spent up to now is 210.9 secs Computing kpt #: 137 total cpu time spent up to now is 211.9 secs Computing kpt #: 138 total cpu time spent up to now is 212.9 secs Computing kpt #: 139 total cpu time spent up to now is 214.1 secs Computing kpt #: 140 total cpu time spent up to now is 215.4 secs Computing kpt #: 141 total cpu time spent up to now is 216.7 secs Computing kpt #: 142 total cpu time spent up to now is 218.0 secs Computing kpt #: 143 total cpu time spent up to now is 219.3 secs Computing kpt #: 144 total cpu time spent up to now is 220.7 secs Computing kpt #: 145 total cpu time spent up to now is 222.2 secs Computing kpt #: 146 total cpu time spent up to now is 223.8 secs Computing kpt #: 147 total cpu time spent up to now is 225.4 secs Computing kpt #: 148 total cpu time spent up to now is 226.7 secs Computing kpt #: 149 total cpu time spent up to now is 228.1 secs Computing kpt #: 150 total cpu time spent up to now is 229.4 secs Computing kpt #: 151 total cpu time spent up to now is 230.7 secs Computing kpt #: 152 total cpu time spent up to now is 232.0 secs Computing kpt #: 153 total cpu time spent up to now is 233.3 secs Computing kpt #: 154 total cpu time spent up to now is 234.6 secs Computing kpt #: 155 total cpu time spent up to now is 235.8 secs Computing kpt #: 156 total cpu time spent up to now is 237.3 secs Computing kpt #: 157 total cpu time spent up to now is 238.8 secs Computing kpt #: 158 total cpu time spent up to now is 240.9 secs Computing kpt #: 159 total cpu time spent up to now is 242.6 secs Computing kpt #: 160 total cpu time spent up to now is 244.5 secs Computing kpt #: 161 total cpu time spent up to now is 246.3 secs Computing kpt #: 162 total cpu time spent up to now is 248.1 secs Computing kpt #: 163 total cpu time spent up to now is 250.1 secs Computing kpt #: 164 total cpu time spent up to now is 251.8 secs Computing kpt #: 165 total cpu time spent up to now is 253.7 secs Computing kpt #: 166 total cpu time spent up to now is 255.9 secs Computing kpt #: 167 total cpu time spent up to now is 258.0 secs Computing kpt #: 168 total cpu time spent up to now is 260.0 secs Computing kpt #: 169 total cpu time spent up to now is 262.4 secs Computing kpt #: 170 total cpu time spent up to now is 265.0 secs Computing kpt #: 171 total cpu time spent up to now is 267.1 secs Computing kpt #: 172 total cpu time spent up to now is 268.9 secs Computing kpt #: 173 total cpu time spent up to now is 271.0 secs Computing kpt #: 174 total cpu time spent up to now is 273.1 secs Computing kpt #: 175 total cpu time spent up to now is 274.8 secs Computing kpt #: 176 total cpu time spent up to now is 276.5 secs Computing kpt #: 177 total cpu time spent up to now is 278.0 secs Computing kpt #: 178 total cpu time spent up to now is 279.8 secs Computing kpt #: 179 total cpu time spent up to now is 281.4 secs Computing kpt #: 180 total cpu time spent up to now is 283.0 secs Computing kpt #: 181 total cpu time spent up to now is 284.6 secs Computing kpt #: 182 total cpu time spent up to now is 286.3 secs Computing kpt #: 183 total cpu time spent up to now is 287.9 secs Computing kpt #: 184 total cpu time spent up to now is 289.7 secs Computing kpt #: 185 total cpu time spent up to now is 291.3 secs Computing kpt #: 186 total cpu time spent up to now is 293.0 secs Computing kpt #: 187 total cpu time spent up to now is 295.1 secs Computing kpt #: 188 total cpu time spent up to now is 296.7 secs Computing kpt #: 189 total cpu time spent up to now is 298.4 secs Computing kpt #: 190 total cpu time spent up to now is 300.0 secs Computing kpt #: 191 total cpu time spent up to now is 301.8 secs Computing kpt #: 192 total cpu time spent up to now is 303.5 secs Computing kpt #: 193 total cpu time spent up to now is 305.3 secs Computing kpt #: 194 total cpu time spent up to now is 306.9 secs Computing kpt #: 195 total cpu time spent up to now is 308.5 secs Computing kpt #: 196 total cpu time spent up to now is 310.1 secs Computing kpt #: 197 total cpu time spent up to now is 311.9 secs Computing kpt #: 198 total cpu time spent up to now is 313.6 secs Computing kpt #: 199 total cpu time spent up to now is 315.5 secs Computing kpt #: 200 total cpu time spent up to now is 317.3 secs Computing kpt #: 201 total cpu time spent up to now is 319.1 secs Computing kpt #: 202 total cpu time spent up to now is 321.0 secs Computing kpt #: 203 total cpu time spent up to now is 322.8 secs Computing kpt #: 204 total cpu time spent up to now is 324.6 secs Computing kpt #: 205 total cpu time spent up to now is 326.3 secs Computing kpt #: 206 total cpu time spent up to now is 328.0 secs Computing kpt #: 207 total cpu time spent up to now is 329.7 secs Computing kpt #: 208 total cpu time spent up to now is 331.3 secs Computing kpt #: 209 total cpu time spent up to now is 333.2 secs Computing kpt #: 210 total cpu time spent up to now is 334.8 secs Computing kpt #: 211 total cpu time spent up to now is 336.8 secs Computing kpt #: 212 total cpu time spent up to now is 338.7 secs Computing kpt #: 213 total cpu time spent up to now is 340.6 secs Computing kpt #: 214 total cpu time spent up to now is 342.5 secs Computing kpt #: 215 total cpu time spent up to now is 344.6 secs Computing kpt #: 216 total cpu time spent up to now is 346.8 secs Computing kpt #: 217 total cpu time spent up to now is 348.7 secs Computing kpt #: 218 total cpu time spent up to now is 350.5 secs Computing kpt #: 219 total cpu time spent up to now is 352.4 secs Computing kpt #: 220 total cpu time spent up to now is 354.2 secs Computing kpt #: 221 total cpu time spent up to now is 356.1 secs Computing kpt #: 222 total cpu time spent up to now is 358.1 secs Computing kpt #: 223 total cpu time spent up to now is 360.1 secs Computing kpt #: 224 total cpu time spent up to now is 362.0 secs Computing kpt #: 225 total cpu time spent up to now is 363.9 secs Computing kpt #: 226 total cpu time spent up to now is 365.9 secs Computing kpt #: 227 total cpu time spent up to now is 368.4 secs ethr = 2.00E-08, avg # of iterations = 34.7 total cpu time spent up to now is 368.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7329 PWs) bands (ev): -20.9585 -20.9585 -20.9387 -20.9387 -7.6913 -7.6913 -7.6143 -7.6143 -5.7615 -5.7615 -5.7256 -5.7256 -5.6605 -5.6605 -5.5630 -5.5630 -4.6766 -4.6766 -2.6713 -2.6713 -2.3028 -2.3028 -1.8717 -1.8717 -1.5049 -1.5049 0.2030 0.2030 2.2928 2.2928 2.9748 2.9748 3.5307 3.5307 3.8852 3.8852 4.3305 4.3305 5.2185 5.2185 5.3395 5.3395 5.4724 5.4724 5.7096 5.7096 6.2151 6.2151 7.0575 7.0575 7.6169 7.6169 7.7346 7.7346 8.1173 8.1173 9.7638 9.7638 9.8557 9.8557 k = 0.0156 0.0123-0.0083 ( 7331 PWs) bands (ev): -20.9584 -20.9584 -20.9387 -20.9387 -7.6913 -7.6913 -7.6144 -7.6144 -5.7614 -5.7614 -5.7259 -5.7259 -5.6607 -5.6607 -5.5633 -5.5633 -4.6748 -4.6748 -2.6720 -2.6720 -2.3081 -2.3081 -1.8674 -1.8674 -1.5027 -1.5027 0.2012 0.2012 2.2956 2.2956 2.9763 2.9763 3.5318 3.5318 3.8847 3.8847 4.3286 4.3286 5.2164 5.2164 5.3398 5.3398 5.4693 5.4693 5.7107 5.7107 6.2149 6.2149 7.0593 7.0593 7.6110 7.6110 7.7414 7.7414 8.1135 8.1135 9.7492 9.7492 9.8570 9.8570 k = 0.0312 0.0246-0.0166 ( 7329 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6912 -7.6912 -7.6148 -7.6148 -5.7612 -5.7612 -5.7269 -5.7269 -5.6613 -5.6613 -5.5644 -5.5644 -4.6696 -4.6696 -2.6744 -2.6744 -2.3233 -2.3233 -1.8552 -1.8552 -1.4960 -1.4960 0.1960 0.1960 2.3040 2.3040 2.9806 2.9806 3.5351 3.5351 3.8833 3.8833 4.3230 4.3230 5.2104 5.2104 5.3404 5.3404 5.4606 5.4606 5.7136 5.7136 6.2145 6.2145 7.0648 7.0648 7.5943 7.5943 7.7608 7.7608 8.1024 8.1024 9.7078 9.7078 9.8601 9.8601 k = 0.0469 0.0370-0.0249 ( 7329 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6911 -7.6911 -7.6154 -7.6154 -5.7607 -5.7607 -5.7285 -5.7285 -5.6624 -5.6624 -5.5662 -5.5662 -4.6609 -4.6609 -2.6782 -2.6782 -2.3470 -2.3470 -1.8366 -1.8366 -1.4850 -1.4850 0.1873 0.1873 2.3179 2.3179 2.9877 2.9877 3.5404 3.5404 3.8810 3.8810 4.3137 4.3137 5.2010 5.2010 5.3404 5.3404 5.4483 5.4483 5.7172 5.7172 6.2138 6.2138 7.0738 7.0738 7.5681 7.5681 7.7905 7.7905 8.0854 8.0854 9.6448 9.6448 9.8621 9.8621 k = 0.0625 0.0493-0.0332 ( 7323 PWs) bands (ev): -20.9583 -20.9583 -20.9389 -20.9389 -7.6909 -7.6909 -7.6162 -7.6162 -5.7602 -5.7602 -5.7307 -5.7307 -5.6638 -5.6638 -5.5685 -5.5685 -4.6489 -4.6489 -2.6834 -2.6834 -2.3772 -2.3772 -1.8132 -1.8132 -1.4698 -1.4698 0.1754 0.1754 2.3367 2.3367 2.9977 2.9977 3.5478 3.5478 3.8778 3.8778 4.3006 4.3006 5.1889 5.1889 5.3388 5.3388 5.4351 5.4351 5.7204 5.7204 6.2125 6.2125 7.0865 7.0865 7.5334 7.5334 7.8267 7.8267 8.0659 8.0659 9.5660 9.5660 9.8579 9.8579 k = 0.0781 0.0616-0.0415 ( 7329 PWs) bands (ev): -20.9582 -20.9582 -20.9390 -20.9390 -7.6907 -7.6907 -7.6172 -7.6172 -5.7596 -5.7596 -5.7335 -5.7335 -5.6656 -5.6656 -5.5712 -5.5712 -4.6339 -4.6339 -2.6897 -2.6897 -2.4125 -2.4125 -1.7866 -1.7866 -1.4506 -1.4506 0.1604 0.1604 2.3601 2.3601 3.0105 3.0105 3.5571 3.5571 3.8740 3.8740 4.2839 4.2839 5.1746 5.1746 5.3345 5.3345 5.4234 5.4234 5.7222 5.7222 6.2106 6.2106 7.1027 7.1027 7.4915 7.4915 7.8612 7.8612 8.0522 8.0522 9.4758 9.4758 9.8405 9.8405 k = 0.0938 0.0739-0.0498 ( 7334 PWs) bands (ev): -20.9581 -20.9581 -20.9391 -20.9391 -7.6904 -7.6904 -7.6184 -7.6184 -5.7589 -5.7589 -5.7370 -5.7370 -5.6677 -5.6677 -5.5741 -5.5741 -4.6159 -4.6159 -2.6971 -2.6971 -2.4514 -2.4514 -1.7580 -1.7580 -1.4278 -1.4278 0.1425 0.1425 2.3873 2.3873 3.0262 3.0262 3.5681 3.5681 3.8697 3.8697 4.2637 4.2637 5.1591 5.1591 5.3268 5.3268 5.4152 5.4152 5.7220 5.7220 6.2078 6.2078 7.1222 7.1222 7.4436 7.4436 7.8762 7.8762 8.0620 8.0620 9.3780 9.3780 9.8068 9.8068 k = 0.1094 0.0862-0.0581 ( 7337 PWs) bands (ev): -20.9580 -20.9580 -20.9392 -20.9392 -7.6901 -7.6901 -7.6198 -7.6198 -5.7583 -5.7583 -5.7409 -5.7409 -5.6701 -5.6701 -5.5771 -5.5771 -4.5954 -4.5954 -2.7053 -2.7053 -2.4930 -2.4930 -1.7282 -1.7282 -1.4017 -1.4017 0.1219 0.1219 2.4177 2.4177 3.0448 3.0448 3.5804 3.5804 3.8651 3.8651 4.2402 4.2402 5.1429 5.1429 5.3164 5.3164 5.4107 5.4107 5.7198 5.7198 6.2037 6.2037 7.1440 7.1440 7.3914 7.3914 7.8608 7.8608 8.1061 8.1061 9.2748 9.2748 9.7592 9.7592 k = 0.1250 0.0985-0.0665 ( 7340 PWs) bands (ev): -20.9578 -20.9578 -20.9393 -20.9393 -7.6897 -7.6897 -7.6214 -7.6214 -5.7578 -5.7578 -5.7453 -5.7453 -5.6727 -5.6727 -5.5801 -5.5801 -4.5724 -4.5724 -2.7142 -2.7142 -2.5365 -2.5365 -1.6977 -1.6977 -1.3725 -1.3725 0.0989 0.0989 2.4503 2.4503 3.0663 3.0663 3.5936 3.5936 3.8606 3.8606 4.2141 4.2141 5.1269 5.1269 5.3047 5.3047 5.4092 5.4092 5.7154 5.7154 6.1980 6.1980 7.1659 7.1659 7.3381 7.3381 7.8259 7.8259 8.1734 8.1734 9.1681 9.1681 9.7017 9.7017 k = 0.1406 0.1109-0.0748 ( 7344 PWs) bands (ev): -20.9577 -20.9577 -20.9395 -20.9395 -7.6893 -7.6893 -7.6232 -7.6232 -5.7579 -5.7579 -5.7497 -5.7497 -5.6752 -5.6752 -5.5831 -5.5831 -4.5473 -4.5473 -2.7235 -2.7235 -2.5813 -2.5813 -1.6668 -1.6668 -1.3405 -1.3405 0.0737 0.0737 2.4842 2.4842 3.0908 3.0908 3.6070 3.6070 3.8565 3.8565 4.1861 4.1861 5.1117 5.1117 5.2928 5.2928 5.4096 5.4096 5.7092 5.7092 6.1904 6.1904 7.1790 7.1790 7.2933 7.2933 7.7826 7.7826 8.2523 8.2523 9.0595 9.0595 9.6375 9.6375 k = 0.1562 0.1232-0.0831 ( 7341 PWs) bands (ev): -20.9575 -20.9575 -20.9397 -20.9397 -7.6889 -7.6889 -7.6251 -7.6251 -5.7595 -5.7595 -5.7532 -5.7532 -5.6777 -5.6777 -5.5858 -5.5858 -4.5204 -4.5204 -2.7331 -2.7331 -2.6270 -2.6270 -1.6358 -1.6358 -1.3063 -1.3063 0.0464 0.0464 2.5184 2.5184 3.1183 3.1183 3.6196 3.6196 3.8537 3.8537 4.1574 4.1574 5.0979 5.0979 5.2816 5.2816 5.4114 5.4114 5.7013 5.7013 6.1804 6.1804 7.1585 7.1585 7.2820 7.2820 7.7363 7.7363 8.3359 8.3359 8.9504 8.9504 9.5694 9.5694 k = 0.1719 0.1355-0.0914 ( 7327 PWs) bands (ev): -20.9573 -20.9573 -20.9399 -20.9399 -7.6884 -7.6884 -7.6271 -7.6271 -5.7638 -5.7638 -5.7548 -5.7548 -5.6800 -5.6800 -5.5884 -5.5884 -4.4918 -4.4918 -2.7429 -2.7429 -2.6733 -2.6733 -1.6047 -1.6047 -1.2700 -1.2700 0.0172 0.0172 2.5516 2.5516 3.1490 3.1490 3.6301 3.6301 3.8527 3.8527 4.1295 4.1295 5.0860 5.0860 5.2714 5.2714 5.4141 5.4141 5.6922 5.6922 6.1678 6.1678 7.1056 7.1056 7.3031 7.3031 7.6899 7.6899 8.4185 8.4185 8.8434 8.8434 9.5007 9.5007 k = 0.1875 0.1478-0.0997 ( 7329 PWs) bands (ev): -20.9571 -20.9571 -20.9401 -20.9401 -7.6880 -7.6880 -7.6293 -7.6293 -5.7695 -5.7695 -5.7556 -5.7556 -5.6818 -5.6818 -5.5908 -5.5908 -4.4619 -4.4619 -2.7531 -2.7531 -2.7194 -2.7194 -1.5737 -1.5737 -1.2320 -1.2320 -0.0136 -0.0136 2.5828 2.5828 3.1829 3.1829 3.6366 3.6366 3.8546 3.8546 4.1044 4.1044 5.0762 5.0762 5.2622 5.2622 5.4174 5.4174 5.6824 5.6824 6.1526 6.1526 7.0417 7.0417 7.3346 7.3346 7.6457 7.6457 8.4893 8.4893 8.7451 8.7451 9.4350 9.4350 k = 0.2031 0.1601-0.1080 ( 7325 PWs) bands (ev): -20.9569 -20.9569 -20.9403 -20.9403 -7.6874 -7.6874 -7.6315 -7.6315 -5.7756 -5.7756 -5.7568 -5.7568 -5.6831 -5.6831 -5.5930 -5.5930 -4.4309 -4.4309 -2.7707 -2.7707 -2.7578 -2.7578 -1.5426 -1.5426 -1.1927 -1.1927 -0.0460 -0.0460 2.6111 2.6111 3.2199 3.2199 3.6369 3.6369 3.8604 3.8604 4.0843 4.0843 5.0686 5.0686 5.2540 5.2540 5.4211 5.4211 5.6721 5.6721 6.1349 6.1349 6.9740 6.9740 7.3674 7.3674 7.6061 7.6061 8.5146 8.5146 8.6839 8.6839 9.3778 9.3778 k = 0.2188 0.1724-0.1163 ( 7323 PWs) bands (ev): -20.9566 -20.9566 -20.9405 -20.9405 -7.6869 -7.6869 -7.6338 -7.6338 -5.7818 -5.7818 -5.7584 -5.7584 -5.6837 -5.6837 -5.5951 -5.5951 -4.3989 -4.3989 -2.8143 -2.8143 -2.7699 -2.7699 -1.5115 -1.5115 -1.1524 -1.1524 -0.0798 -0.0798 2.6357 2.6357 3.2598 3.2598 3.6294 3.6294 3.8707 3.8707 4.0714 4.0714 5.0629 5.0629 5.2463 5.2463 5.4251 5.4251 5.6617 5.6617 6.1154 6.1154 6.9050 6.9050 7.3953 7.3953 7.5748 7.5748 8.4560 8.4560 8.6904 8.6904 9.3364 9.3364 k = 0.2344 0.1848-0.1246 ( 7328 PWs) bands (ev): -20.9564 -20.9564 -20.9407 -20.9407 -7.6864 -7.6864 -7.6361 -7.6361 -5.7881 -5.7881 -5.7605 -5.7605 -5.6837 -5.6837 -5.5970 -5.5970 -4.3663 -4.3663 -2.8600 -2.8600 -2.7791 -2.7791 -1.4802 -1.4802 -1.1115 -1.1115 -0.1149 -0.1149 2.6559 2.6559 3.3022 3.3022 3.6133 3.6133 3.8857 3.8857 4.0674 4.0674 5.0591 5.0591 5.2389 5.2389 5.4291 5.4291 5.6516 5.6516 6.0947 6.0947 6.8355 6.8355 7.4097 7.4097 7.5584 7.5584 8.3643 8.3643 8.7049 8.7049 9.3181 9.3181 k = 0.2500 0.1971-0.1329 ( 7331 PWs) bands (ev): -20.9562 -20.9562 -20.9410 -20.9410 -7.6858 -7.6858 -7.6385 -7.6385 -5.7942 -5.7942 -5.7633 -5.7633 -5.6830 -5.6830 -5.5988 -5.5988 -4.3332 -4.3332 -2.9054 -2.9054 -2.7876 -2.7876 -1.4486 -1.4486 -1.0703 -1.0703 -0.1512 -0.1512 2.6716 2.6716 3.3465 3.3465 3.5893 3.5893 3.9050 3.9050 4.0729 4.0729 5.0565 5.0565 5.2316 5.2316 5.4330 5.4330 5.6417 5.6417 6.0743 6.0743 6.7664 6.7664 7.4046 7.4046 7.5599 7.5599 8.2704 8.2704 8.6935 8.6935 9.3232 9.3232 k = 0.2656 0.2094-0.1412 ( 7324 PWs) bands (ev): -20.9559 -20.9559 -20.9412 -20.9412 -7.6852 -7.6852 -7.6408 -7.6408 -5.8001 -5.8001 -5.7665 -5.7665 -5.6816 -5.6816 -5.6006 -5.6006 -4.2998 -4.2998 -2.9500 -2.9500 -2.7957 -2.7957 -1.4167 -1.4167 -1.0291 -1.0291 -0.1887 -0.1887 2.6826 2.6826 3.3919 3.3919 3.5590 3.5590 3.9283 3.9283 4.0876 4.0876 5.0547 5.0547 5.2242 5.2242 5.4364 5.4364 5.6321 5.6321 6.0556 6.0556 6.6980 6.6980 7.3855 7.3855 7.5691 7.5691 8.1844 8.1844 8.6544 8.6544 9.3382 9.3382 k = 0.2812 0.2217-0.1495 ( 7322 PWs) bands (ev): -20.9556 -20.9556 -20.9415 -20.9415 -7.6846 -7.6846 -7.6432 -7.6432 -5.8057 -5.8057 -5.7702 -5.7702 -5.6798 -5.6798 -5.6024 -5.6024 -4.2663 -4.2663 -2.9938 -2.9938 -2.8032 -2.8032 -1.3844 -1.3844 -0.9883 -0.9883 -0.2272 -0.2272 2.6894 2.6894 3.4369 3.4369 3.5249 3.5249 3.9550 3.9550 4.1104 4.1104 5.0528 5.0528 5.2166 5.2166 5.4393 5.4393 5.6225 5.6225 6.0403 6.0403 6.6308 6.6308 7.3608 7.3608 7.5706 7.5706 8.1140 8.1140 8.5956 8.5956 9.3419 9.3419 k = 0.2969 0.2340-0.1578 ( 7314 PWs) bands (ev): -20.9554 -20.9554 -20.9418 -20.9418 -7.6841 -7.6841 -7.6455 -7.6455 -5.8109 -5.8109 -5.7742 -5.7742 -5.6774 -5.6774 -5.6041 -5.6041 -4.2330 -4.2330 -3.0365 -3.0365 -2.8102 -2.8102 -1.3515 -1.3515 -0.9482 -0.9482 -0.2667 -0.2667 2.6923 2.6923 3.4690 3.4690 3.5006 3.5006 3.9850 3.9850 4.1400 4.1400 5.0498 5.0498 5.2093 5.2093 5.4409 5.4409 5.6129 5.6129 6.0298 6.0298 6.5652 6.5652 7.3351 7.3351 7.5528 7.5528 8.0664 8.0664 8.5253 8.5253 9.3229 9.3229 k = 0.3125 0.2463-0.1661 ( 7310 PWs) bands (ev): -20.9551 -20.9551 -20.9420 -20.9420 -7.6835 -7.6835 -7.6477 -7.6477 -5.8157 -5.8157 -5.7785 -5.7785 -5.6747 -5.6747 -5.6058 -5.6058 -4.2000 -4.2000 -3.0780 -3.0780 -2.8166 -2.8166 -1.3180 -1.3180 -0.9092 -0.9092 -0.3071 -0.3071 2.6919 2.6919 3.4409 3.4409 3.5343 3.5343 4.0176 4.0176 4.1750 4.1750 5.0446 5.0446 5.2029 5.2029 5.4405 5.4405 5.6042 5.6042 6.0254 6.0254 6.5017 6.5017 7.3097 7.3097 7.5106 7.5106 8.0443 8.0443 8.4491 8.4491 9.2855 9.2855 k = 0.3281 0.2587-0.1744 ( 7316 PWs) bands (ev): -20.9548 -20.9548 -20.9423 -20.9423 -7.6829 -7.6829 -7.6499 -7.6499 -5.8200 -5.8200 -5.7829 -5.7829 -5.6717 -5.6717 -5.6076 -5.6076 -4.1675 -4.1675 -3.1181 -3.1181 -2.8225 -2.8225 -1.2837 -1.2837 -0.8717 -0.8717 -0.3483 -0.3483 2.6888 2.6888 3.4021 3.4021 3.5772 3.5772 4.0523 4.0523 4.2144 4.2144 5.0360 5.0360 5.1981 5.1981 5.4367 5.4367 5.5979 5.5979 6.0270 6.0270 6.4408 6.4408 7.2850 7.2850 7.4484 7.4484 8.0427 8.0427 8.3710 8.3710 9.2390 9.2390 k = 0.3438 0.2710-0.1827 ( 7324 PWs) bands (ev): -20.9546 -20.9546 -20.9425 -20.9425 -7.6823 -7.6823 -7.6520 -7.6520 -5.8238 -5.8238 -5.7874 -5.7874 -5.6685 -5.6685 -5.6094 -5.6094 -4.1358 -4.1358 -3.1567 -3.1567 -2.8278 -2.8278 -1.2487 -1.2487 -0.8359 -0.8359 -0.3902 -0.3902 2.6837 2.6837 3.3633 3.3633 3.6192 3.6192 4.0878 4.0878 4.2571 4.2571 5.0235 5.0235 5.1955 5.1955 5.4284 5.4284 5.5961 5.5961 6.0342 6.0342 6.3831 6.3831 7.2587 7.2587 7.3766 7.3766 8.0525 8.0525 8.2935 8.2935 9.1900 9.1900 k = 0.3594 0.2833-0.1910 ( 7316 PWs) bands (ev): -20.9543 -20.9543 -20.9428 -20.9428 -7.6817 -7.6817 -7.6540 -7.6540 -5.8271 -5.8271 -5.7919 -5.7919 -5.6651 -5.6651 -5.6113 -5.6113 -4.1051 -4.1051 -3.1934 -3.1934 -2.8326 -2.8326 -1.2128 -1.2128 -0.8022 -0.8022 -0.4328 -0.4328 2.6773 2.6773 3.3259 3.3259 3.6595 3.6595 4.1231 4.1231 4.3025 4.3025 5.0069 5.0069 5.1953 5.1953 5.4152 5.4152 5.5999 5.5999 6.0452 6.0452 6.3297 6.3297 7.2213 7.2213 7.3117 7.3117 8.0656 8.0656 8.2190 8.2190 9.1421 9.1421 k = 0.3750 0.2956-0.1994 ( 7320 PWs) bands (ev): -20.9541 -20.9541 -20.9430 -20.9430 -7.6811 -7.6811 -7.6558 -7.6558 -5.8298 -5.8298 -5.7964 -5.7964 -5.6616 -5.6616 -5.6133 -5.6133 -4.0756 -4.0756 -3.2282 -3.2282 -2.8368 -2.8368 -1.1761 -1.1761 -0.7710 -0.7710 -0.4758 -0.4758 2.6700 2.6700 3.2907 3.2907 3.6978 3.6978 4.1568 4.1568 4.3496 4.3496 4.9865 4.9865 5.1971 5.1971 5.3981 5.3981 5.6096 5.6096 6.0571 6.0571 6.2829 6.2829 7.1578 7.1578 7.2738 7.2738 8.0750 8.0750 8.1508 8.1508 9.0972 9.0972 k = 0.3906 0.3079-0.2077 ( 7320 PWs) bands (ev): -20.9538 -20.9538 -20.9433 -20.9433 -7.6806 -7.6806 -7.6575 -7.6575 -5.8319 -5.8319 -5.8006 -5.8006 -5.6581 -5.6581 -5.6154 -5.6154 -4.0478 -4.0478 -3.2607 -3.2607 -2.8405 -2.8405 -1.1386 -1.1386 -0.7426 -0.7426 -0.5192 -0.5192 2.6624 2.6624 3.2583 3.2583 3.7337 3.7337 4.1876 4.1876 4.3979 4.3979 4.9631 4.9631 5.2004 5.2004 5.3790 5.3790 5.6243 5.6243 6.0649 6.0649 6.2469 6.2469 7.0780 7.0780 7.2561 7.2561 8.0620 8.0620 8.1062 8.1062 9.0564 9.0564 k = 0.4062 0.3202-0.2160 ( 7322 PWs) bands (ev): -20.9536 -20.9536 -20.9435 -20.9435 -7.6801 -7.6801 -7.6591 -7.6591 -5.8336 -5.8336 -5.8047 -5.8047 -5.6545 -5.6545 -5.6176 -5.6176 -4.0219 -4.0219 -3.2905 -3.2905 -2.8436 -2.8436 -1.1004 -1.1004 -0.7172 -0.7172 -0.5628 -0.5628 2.6550 2.6550 3.2293 3.2293 3.7669 3.7669 4.2146 4.2146 4.4467 4.4467 4.9370 4.9370 5.2050 5.2050 5.3594 5.3594 5.6429 5.6429 6.0612 6.0612 6.2283 6.2283 6.9954 6.9954 7.2474 7.2474 8.0121 8.0121 8.0994 8.0994 9.0203 9.0203 k = 0.4219 0.3326-0.2243 ( 7330 PWs) bands (ev): -20.9534 -20.9534 -20.9437 -20.9437 -7.6796 -7.6796 -7.6605 -7.6605 -5.8347 -5.8347 -5.8085 -5.8085 -5.6510 -5.6510 -5.6198 -5.6198 -3.9985 -3.9985 -3.3173 -3.3173 -2.8463 -2.8463 -1.0617 -1.0617 -0.6953 -0.6953 -0.6062 -0.6062 2.6481 2.6481 3.2040 3.2040 3.7968 3.7968 4.2368 4.2368 4.4954 4.4954 4.9088 4.9088 5.2107 5.2107 5.3405 5.3405 5.6645 5.6645 6.0424 6.0424 6.2301 6.2301 6.9155 6.9155 7.2437 7.2437 7.9613 7.9613 8.0959 8.0959 8.9892 8.9892 k = 0.4375 0.3449-0.2326 ( 7325 PWs) bands (ev): -20.9533 -20.9533 -20.9438 -20.9438 -7.6791 -7.6791 -7.6617 -7.6617 -5.8354 -5.8354 -5.8118 -5.8118 -5.6476 -5.6476 -5.6222 -5.6222 -3.9780 -3.9780 -3.3404 -3.3404 -2.8484 -2.8484 -1.0227 -1.0227 -0.6770 -0.6770 -0.6491 -0.6491 2.6420 2.6420 3.1829 3.1829 3.8230 3.8230 4.2541 4.2541 4.5434 4.5434 4.8784 4.8784 5.2176 5.2176 5.3230 5.3230 5.6878 5.6878 6.0139 6.0139 6.2463 6.2463 6.8412 6.8412 7.2432 7.2432 7.9174 7.9174 8.0900 8.0900 8.9635 8.9635 k = 0.4531 0.3572-0.2409 ( 7321 PWs) bands (ev): -20.9531 -20.9531 -20.9439 -20.9439 -7.6787 -7.6787 -7.6626 -7.6626 -5.8357 -5.8357 -5.8147 -5.8147 -5.6443 -5.6443 -5.6247 -5.6247 -3.9611 -3.9611 -3.3593 -3.3593 -2.8501 -2.8501 -0.9841 -0.9841 -0.6911 -0.6911 -0.6622 -0.6622 2.6371 2.6371 3.1661 3.1661 3.8446 3.8446 4.2665 4.2665 4.5902 4.5902 4.8461 4.8461 5.2257 5.2257 5.3071 5.3071 5.7117 5.7117 5.9829 5.9829 6.2692 6.2692 6.7755 6.7755 7.2448 7.2448 7.8820 7.8820 8.0826 8.0826 8.9434 8.9434 k = 0.4688 0.3695-0.2492 ( 7309 PWs) bands (ev): -20.9530 -20.9530 -20.9440 -20.9440 -7.6784 -7.6784 -7.6634 -7.6634 -5.8357 -5.8357 -5.8170 -5.8170 -5.6412 -5.6412 -5.6271 -5.6271 -3.9485 -3.9485 -3.3735 -3.3735 -2.8513 -2.8513 -0.9473 -0.9473 -0.7301 -0.7301 -0.6518 -0.6518 2.6334 2.6334 3.1540 3.1540 3.8609 3.8609 4.2745 4.2745 4.6348 4.6348 4.8121 4.8121 5.2348 5.2348 5.2927 5.2927 5.7341 5.7341 5.9544 5.9544 6.2926 6.2926 6.7219 6.7219 7.2470 7.2470 7.8561 7.8561 8.0756 8.0756 8.9289 8.9289 k = 0.4844 0.3818-0.2575 ( 7298 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6782 -7.6782 -7.6638 -7.6638 -5.8357 -5.8357 -5.8184 -5.8184 -5.6387 -5.6387 -5.6293 -5.6293 -3.9406 -3.9406 -3.3822 -3.3822 -2.8520 -2.8520 -0.9166 -0.9166 -0.7622 -0.7622 -0.6454 -0.6454 2.6312 2.6312 3.1466 3.1466 3.8710 3.8710 4.2789 4.2789 4.6749 4.6749 4.7785 4.7785 5.2440 5.2440 5.2806 5.2806 5.7513 5.7513 5.9332 5.9332 6.3108 6.3108 6.6856 6.6856 7.2489 7.2489 7.8403 7.8403 8.0706 8.0706 8.9201 8.9201 k = 0.5000 0.3941-0.2658 ( 7298 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6781 -7.6781 -7.6640 -7.6640 -5.8356 -5.8356 -5.8189 -5.8189 -5.6374 -5.6374 -5.6304 -5.6304 -3.9379 -3.9379 -3.3852 -3.3852 -2.8522 -2.8522 -0.9029 -0.9029 -0.7763 -0.7763 -0.6433 -0.6433 2.6304 2.6304 3.1441 3.1441 3.8745 3.8745 4.2803 4.2803 4.6970 4.6970 4.7586 4.7586 5.2490 5.2490 5.2747 5.2747 5.7581 5.7581 5.9251 5.9251 6.3179 6.3179 6.6725 6.6725 7.2497 7.2497 7.8350 7.8350 8.0688 8.0688 8.9172 8.9172 k = 0.5000 0.3941-0.2658 ( 7298 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6781 -7.6781 -7.6640 -7.6640 -5.8356 -5.8356 -5.8189 -5.8189 -5.6374 -5.6374 -5.6304 -5.6304 -3.9379 -3.9379 -3.3852 -3.3852 -2.8522 -2.8522 -0.9029 -0.9029 -0.7763 -0.7763 -0.6433 -0.6433 2.6304 2.6304 3.1441 3.1441 3.8745 3.8745 4.2803 4.2803 4.6970 4.6970 4.7586 4.7586 5.2490 5.2490 5.2747 5.2747 5.7581 5.7581 5.9251 5.9251 6.3179 6.3179 6.6725 6.6725 7.2497 7.2497 7.8350 7.8350 8.0688 8.0688 8.9172 8.9172 k = 0.5064 0.3992-0.2464 ( 7293 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6781 -7.6781 -7.6640 -7.6640 -5.8372 -5.8372 -5.8172 -5.8172 -5.6399 -5.6399 -5.6281 -5.6281 -3.9373 -3.9373 -3.3854 -3.3854 -2.8523 -2.8523 -0.9059 -0.9059 -0.7746 -0.7746 -0.6446 -0.6446 2.6356 2.6356 3.1461 3.1461 3.8734 3.8734 4.2785 4.2785 4.6833 4.6833 4.7730 4.7730 5.2322 5.2322 5.2884 5.2884 5.7567 5.7567 5.9269 5.9269 6.3195 6.3195 6.6729 6.6729 7.2558 7.2558 7.8363 7.8363 8.0686 8.0686 8.9197 8.9197 k = 0.5127 0.4042-0.2270 ( 7304 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6782 -7.6782 -7.6640 -7.6640 -5.8408 -5.8408 -5.8131 -5.8131 -5.6444 -5.6444 -5.6243 -5.6243 -3.9352 -3.9352 -3.3859 -3.3859 -2.8527 -2.8527 -0.9146 -0.9146 -0.7695 -0.7695 -0.6483 -0.6483 2.6509 2.6509 3.1518 3.1518 3.8702 3.8702 4.2733 4.2733 4.6572 4.6572 4.8008 4.8008 5.2048 5.2048 5.3069 5.3069 5.7527 5.7527 5.9324 5.9324 6.3246 6.3246 6.6743 6.6743 7.2738 7.2738 7.8403 7.8403 8.0681 8.0681 8.9271 8.9271 k = 0.5191 0.4092-0.2076 ( 7305 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6782 -7.6782 -7.6641 -7.6641 -5.8450 -5.8450 -5.8081 -5.8081 -5.6494 -5.6494 -5.6203 -5.6203 -3.9319 -3.9319 -3.3869 -3.3869 -2.8532 -2.8532 -0.9279 -0.9279 -0.7621 -0.7621 -0.6546 -0.6546 2.6761 2.6761 3.1613 3.1613 3.8649 3.8649 4.2649 4.2649 4.6294 4.6294 4.8313 4.8313 5.1749 5.1749 5.3226 5.3226 5.7465 5.7465 5.9412 5.9412 6.3329 6.3329 6.6771 6.6771 7.3026 7.3026 7.8471 7.8471 8.0677 8.0677 8.9392 8.9392 k = 0.5254 0.4142-0.1882 ( 7321 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6783 -7.6783 -7.6643 -7.6643 -5.8494 -5.8494 -5.8026 -5.8026 -5.6546 -5.6546 -5.6166 -5.6166 -3.9272 -3.9272 -3.3883 -3.3883 -2.8539 -2.8539 -0.9449 -0.9449 -0.7530 -0.7530 -0.6631 -0.6631 2.7108 2.7108 3.1743 3.1743 3.8572 3.8572 4.2539 4.2539 4.6023 4.6023 4.8617 4.8617 5.1439 5.1439 5.3347 5.3347 5.7387 5.7387 5.9528 5.9528 6.3442 6.3442 6.6818 6.6818 7.3407 7.3407 7.8567 7.8567 8.0680 8.0680 8.9556 8.9556 k = 0.5318 0.4192-0.1688 ( 7321 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6784 -7.6784 -7.6645 -7.6645 -5.8537 -5.8537 -5.7969 -5.7969 -5.6599 -5.6599 -5.6130 -5.6130 -3.9213 -3.9213 -3.3902 -3.3902 -2.8548 -2.8548 -0.9646 -0.9646 -0.7427 -0.7427 -0.6740 -0.6740 2.7542 2.7542 3.1907 3.1907 3.8470 3.8470 4.2407 4.2407 4.5768 4.5768 4.8902 4.8902 5.1131 5.1131 5.3434 5.3434 5.7298 5.7298 5.9668 5.9668 6.3581 6.3581 6.6889 6.6889 7.3862 7.3862 7.8692 7.8692 8.0696 8.0696 8.9756 8.9756 k = 0.5382 0.4242-0.1494 ( 7325 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6785 -7.6785 -7.6647 -7.6647 -5.8579 -5.8579 -5.7910 -5.7910 -5.6653 -5.6653 -5.6098 -5.6098 -3.9141 -3.9141 -3.3926 -3.3926 -2.8558 -2.8558 -0.9865 -0.9865 -0.7315 -0.7315 -0.6870 -0.6870 2.8056 2.8056 3.2100 3.2100 3.8343 3.8343 4.2264 4.2264 4.5534 4.5534 4.9151 4.9151 5.0837 5.0837 5.3492 5.3492 5.7208 5.7208 5.9830 5.9830 6.3738 6.3738 6.6987 6.6987 7.4376 7.4376 7.8846 7.8846 8.0735 8.0735 8.9987 8.9987 k = 0.5445 0.4292-0.1300 ( 7322 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6787 -7.6787 -7.6650 -7.6650 -5.8619 -5.8619 -5.7851 -5.7851 -5.6707 -5.6707 -5.6068 -5.6068 -3.9058 -3.9058 -3.3957 -3.3957 -2.8569 -2.8569 -1.0099 -1.0099 -0.7202 -0.7202 -0.7014 -0.7014 2.8638 2.8638 3.2321 3.2321 3.8188 3.8188 4.2118 4.2118 4.5325 4.5325 4.9332 4.9332 5.0585 5.0585 5.3526 5.3526 5.7124 5.7124 6.0012 6.0012 6.3903 6.3903 6.7112 6.7112 7.4931 7.4931 7.9030 7.9030 8.0802 8.0802 9.0240 9.0240 k = 0.5509 0.4342-0.1106 ( 7331 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6788 -7.6788 -7.6652 -7.6652 -5.8656 -5.8656 -5.7792 -5.7792 -5.6761 -5.6761 -5.6041 -5.6041 -3.8963 -3.8963 -3.3995 -3.3995 -2.8580 -2.8580 -1.0342 -1.0342 -0.7211 -0.7211 -0.7047 -0.7047 2.9276 2.9276 3.2564 3.2564 3.8003 3.8003 4.1982 4.1982 4.5146 4.5146 4.9388 4.9388 5.0427 5.0427 5.3544 5.3544 5.7054 5.7054 6.0212 6.0212 6.4067 6.4067 6.7263 6.7263 7.5515 7.5515 7.9244 7.9244 8.0907 8.0907 9.0505 9.0505 k = 0.5572 0.4393-0.0913 ( 7336 PWs) bands (ev): -20.9529 -20.9529 -20.9441 -20.9441 -7.6789 -7.6789 -7.6656 -7.6656 -5.8691 -5.8691 -5.7733 -5.7733 -5.6814 -5.6814 -5.6017 -5.6017 -3.8859 -3.8859 -3.4039 -3.4039 -2.8591 -2.8591 -1.0590 -1.0590 -0.7390 -0.7390 -0.6921 -0.6921 2.9955 2.9955 3.2826 3.2826 3.7789 3.7789 4.1869 4.1869 4.4998 4.4998 4.9276 4.9276 5.0402 5.0402 5.3552 5.3552 5.7008 5.7008 6.0428 6.0428 6.4217 6.4217 6.7438 6.7438 7.6116 7.6116 7.9487 7.9487 8.1053 8.1053 9.0769 9.0769 k = 0.5636 0.4443-0.0719 ( 7341 PWs) bands (ev): -20.9529 -20.9529 -20.9440 -20.9440 -7.6790 -7.6790 -7.6659 -7.6659 -5.8722 -5.8722 -5.7676 -5.7676 -5.6865 -5.6865 -5.5995 -5.5995 -3.8747 -3.8747 -3.4090 -3.4090 -2.8602 -2.8602 -1.0839 -1.0839 -0.7592 -0.7592 -0.6782 -0.6782 3.0658 3.0658 3.3101 3.3101 3.7543 3.7543 4.1797 4.1797 4.4883 4.4883 4.9042 4.9042 5.0463 5.0463 5.3553 5.3553 5.6994 5.6994 6.0659 6.0659 6.4346 6.4346 6.7633 6.7633 7.6723 7.6723 7.9758 7.9758 8.1242 8.1242 9.1005 9.1005 k = 0.5699 0.4493-0.0525 ( 7334 PWs) bands (ev): -20.9530 -20.9530 -20.9440 -20.9440 -7.6792 -7.6792 -7.6663 -7.6663 -5.8751 -5.8751 -5.7621 -5.7621 -5.6915 -5.6915 -5.5976 -5.5976 -3.8628 -3.8628 -3.4148 -3.4148 -2.8612 -2.8612 -1.1083 -1.1083 -0.7809 -0.7809 -0.6636 -0.6636 3.1362 3.1362 3.3386 3.3386 3.7268 3.7268 4.1783 4.1783 4.4805 4.4805 4.8750 4.8750 5.0547 5.0547 5.3549 5.3549 5.7015 5.7015 6.0902 6.0902 6.4447 6.4447 6.7844 6.7844 7.7331 7.7331 8.0055 8.0055 8.1473 8.1473 9.1109 9.1109 k = 0.5763 0.4543-0.0331 ( 7335 PWs) bands (ev): -20.9530 -20.9530 -20.9439 -20.9439 -7.6793 -7.6793 -7.6666 -7.6666 -5.8776 -5.8776 -5.7568 -5.7568 -5.6961 -5.6961 -5.5960 -5.5960 -3.8506 -3.8506 -3.4210 -3.4210 -2.8619 -2.8619 -1.1321 -1.1321 -0.8038 -0.8038 -0.6483 -0.6483 3.2043 3.2043 3.3675 3.3675 3.6966 3.6966 4.1849 4.1849 4.4763 4.4763 4.8431 4.8431 5.0625 5.0625 5.3542 5.3542 5.7075 5.7075 6.1154 6.1154 6.4514 6.4514 6.8070 6.8070 7.7933 7.7933 8.0374 8.0374 8.1740 8.1740 9.0653 9.0653 k = 0.5827 0.4593-0.0137 ( 7337 PWs) bands (ev): -20.9530 -20.9530 -20.9439 -20.9439 -7.6793 -7.6793 -7.6670 -7.6670 -5.8798 -5.8798 -5.7521 -5.7521 -5.7003 -5.7003 -5.5945 -5.5945 -3.8384 -3.8384 -3.4275 -3.4275 -2.8625 -2.8625 -1.1547 -1.1547 -0.8278 -0.8278 -0.6326 -0.6326 3.2673 3.2673 3.3964 3.3964 3.6639 3.6639 4.2013 4.2013 4.4758 4.4758 4.8100 4.8100 5.0692 5.0692 5.3534 5.3534 5.7172 5.7172 6.1410 6.1410 6.4546 6.4546 6.8307 6.8307 7.8523 7.8523 8.0709 8.0709 8.2034 8.2034 8.9714 8.9714 k = 0.5890 0.4643 0.0057 ( 7343 PWs) bands (ev): -20.9531 -20.9531 -20.9438 -20.9438 -7.6794 -7.6794 -7.6673 -7.6673 -5.8817 -5.8817 -5.7480 -5.7480 -5.7038 -5.7038 -5.5933 -5.5933 -3.8267 -3.8267 -3.4338 -3.4338 -2.8627 -2.8627 -1.1762 -1.1762 -0.8526 -0.8526 -0.6164 -0.6164 3.3224 3.3224 3.4249 3.4249 3.6296 3.6296 4.2293 4.2293 4.4790 4.4790 4.7765 4.7765 5.0750 5.0750 5.3524 5.3524 5.7300 5.7300 6.1664 6.1664 6.4545 6.4545 6.8556 6.8556 7.9090 7.9090 8.1055 8.1055 8.2346 8.2346 8.8643 8.8643 k = 0.5954 0.4693 0.0251 ( 7349 PWs) bands (ev): -20.9532 -20.9532 -20.9437 -20.9437 -7.6795 -7.6795 -7.6676 -7.6676 -5.8831 -5.8831 -5.7448 -5.7448 -5.7063 -5.7063 -5.5923 -5.5923 -3.8160 -3.8160 -3.4395 -3.4395 -2.8626 -2.8626 -1.1961 -1.1961 -0.8782 -0.8782 -0.5998 -0.5998 3.3673 3.3673 3.4522 3.4522 3.5949 3.5949 4.2693 4.2693 4.4857 4.4857 4.7435 4.7435 5.0805 5.0805 5.3514 5.3514 5.7451 5.7451 6.1905 6.1905 6.4519 6.4519 6.8816 6.8816 7.9621 7.9621 8.1400 8.1400 8.2665 8.2665 8.7550 8.7550 k = 0.6017 0.4743 0.0445 ( 7347 PWs) bands (ev): -20.9532 -20.9532 -20.9436 -20.9436 -7.6795 -7.6795 -7.6679 -7.6679 -5.8842 -5.8842 -5.7430 -5.7430 -5.7076 -5.7076 -5.5914 -5.5914 -3.8071 -3.8071 -3.4438 -3.4438 -2.8621 -2.8621 -1.2146 -1.2146 -0.9043 -0.9043 -0.5829 -0.5829 3.4002 3.4002 3.4762 3.4762 3.5626 3.5626 4.3196 4.3196 4.4958 4.4958 4.7130 4.7130 5.0866 5.0866 5.3505 5.3505 5.7616 5.7616 6.2118 6.2118 6.4483 6.4483 6.9085 6.9085 8.0088 8.0088 8.1731 8.1731 8.2979 8.2979 8.6513 8.6513 k = 0.6017 0.4743 0.0445 ( 7347 PWs) bands (ev): -20.9532 -20.9532 -20.9436 -20.9436 -7.6795 -7.6795 -7.6679 -7.6679 -5.8842 -5.8842 -5.7430 -5.7430 -5.7076 -5.7076 -5.5914 -5.5914 -3.8071 -3.8071 -3.4438 -3.4438 -2.8621 -2.8621 -1.2146 -1.2146 -0.9043 -0.9043 -0.5829 -0.5829 3.4002 3.4002 3.4762 3.4762 3.5626 3.5626 4.3196 4.3196 4.4958 4.4958 4.7130 4.7130 5.0866 5.0866 5.3505 5.3505 5.7616 5.7616 6.2118 6.2118 6.4483 6.4483 6.9085 6.9085 8.0088 8.0088 8.1731 8.1731 8.2979 8.2979 8.6513 8.6513 k = 0.5945 0.4686 0.0635 ( 7348 PWs) bands (ev): -20.9535 -20.9535 -20.9434 -20.9434 -7.6799 -7.6799 -7.6684 -7.6684 -5.8863 -5.8863 -5.7426 -5.7426 -5.7093 -5.7093 -5.5908 -5.5908 -3.7891 -3.7891 -3.4572 -3.4572 -2.8548 -2.8548 -1.2047 -1.2047 -0.9369 -0.9369 -0.5870 -0.5870 3.3993 3.3993 3.4835 3.4835 3.5568 3.5568 4.3342 4.3342 4.5532 4.5532 4.7261 4.7261 5.0853 5.0853 5.3518 5.3518 5.7413 5.7413 6.2250 6.2250 6.4513 6.4513 6.9190 6.9190 8.0563 8.0563 8.1927 8.1927 8.3247 8.3247 8.6256 8.6256 k = 0.5872 0.4629 0.0825 ( 7346 PWs) bands (ev): -20.9537 -20.9537 -20.9431 -20.9431 -7.6804 -7.6804 -7.6687 -7.6687 -5.8881 -5.8881 -5.7437 -5.7437 -5.7093 -5.7093 -5.5902 -5.5902 -3.7722 -3.7722 -3.4695 -3.4695 -2.8471 -2.8471 -1.1972 -1.1972 -0.9696 -0.9696 -0.5873 -0.5873 3.3882 3.3882 3.4485 3.4485 3.5895 3.5895 4.3570 4.3570 4.6138 4.6138 4.7472 4.7472 5.0882 5.0882 5.3517 5.3517 5.7199 5.7199 6.2345 6.2345 6.4502 6.4502 6.9340 6.9340 8.0851 8.0851 8.2054 8.2054 8.3460 8.3460 8.6188 8.6188 k = 0.5799 0.4572 0.1015 ( 7346 PWs) bands (ev): -20.9539 -20.9539 -20.9429 -20.9429 -7.6808 -7.6808 -7.6690 -7.6690 -5.8896 -5.8896 -5.7461 -5.7461 -5.7080 -5.7080 -5.5898 -5.5898 -3.7565 -3.7565 -3.4808 -3.4808 -2.8391 -2.8391 -1.1921 -1.1921 -1.0019 -1.0019 -0.5838 -0.5838 3.3659 3.3659 3.4064 3.4064 3.6288 3.6288 4.3876 4.3876 4.6729 4.6729 4.7758 4.7758 5.0973 5.0973 5.3506 5.3506 5.6985 5.6985 6.2369 6.2369 6.4487 6.4487 6.9529 6.9529 8.0966 8.0966 8.2047 8.2047 8.3572 8.3572 8.6307 8.6307 k = 0.5727 0.4514 0.1205 ( 7344 PWs) bands (ev): -20.9542 -20.9542 -20.9426 -20.9426 -7.6812 -7.6812 -7.6692 -7.6692 -5.8909 -5.8909 -5.7494 -5.7494 -5.7056 -5.7056 -5.5896 -5.5896 -3.7421 -3.7421 -3.4910 -3.4910 -2.8311 -2.8311 -1.1891 -1.1891 -1.0333 -1.0333 -0.5773 -0.5773 3.3269 3.3269 3.3739 3.3739 3.6670 3.6670 4.4242 4.4242 4.7243 4.7243 4.8128 4.8128 5.1152 5.1152 5.3491 5.3491 5.6786 5.6786 6.2286 6.2286 6.4504 6.4504 6.9748 6.9748 8.0919 8.0919 8.1875 8.1875 8.3568 8.3568 8.6554 8.6554 k = 0.5654 0.4457 0.1394 ( 7355 PWs) bands (ev): -20.9544 -20.9544 -20.9424 -20.9424 -7.6817 -7.6817 -7.6694 -7.6694 -5.8919 -5.8919 -5.7531 -5.7531 -5.7028 -5.7028 -5.5894 -5.5894 -3.7289 -3.7289 -3.5003 -3.5003 -2.8232 -2.8232 -1.1879 -1.1879 -1.0633 -1.0633 -0.5681 -0.5681 3.2773 3.2773 3.3493 3.3493 3.7023 3.7023 4.4649 4.4649 4.7637 4.7637 4.8567 4.8567 5.1432 5.1432 5.3490 5.3490 5.6617 5.6617 6.2081 6.2081 6.4576 6.4576 6.9988 6.9988 8.0642 8.0642 8.1602 8.1602 8.3475 8.3475 8.6847 8.6847 k = 0.5581 0.4400 0.1584 ( 7351 PWs) bands (ev): -20.9546 -20.9546 -20.9422 -20.9422 -7.6821 -7.6821 -7.6695 -7.6695 -5.8927 -5.8927 -5.7569 -5.7569 -5.6998 -5.6998 -5.5893 -5.5893 -3.7171 -3.7171 -3.5086 -3.5086 -2.8154 -2.8154 -1.1882 -1.1882 -1.0914 -1.0914 -0.5571 -0.5571 3.2260 3.2260 3.3272 3.3272 3.7343 3.7343 4.5079 4.5079 4.7924 4.7924 4.9015 4.9015 5.1790 5.1790 5.3534 5.3534 5.6503 5.6503 6.1763 6.1763 6.4699 6.4699 7.0241 7.0241 8.0016 8.0016 8.1385 8.1385 8.3333 8.3333 8.7128 8.7128 k = 0.5509 0.4342 0.1774 ( 7346 PWs) bands (ev): -20.9548 -20.9548 -20.9420 -20.9420 -7.6825 -7.6825 -7.6697 -7.6697 -5.8934 -5.8934 -5.7606 -5.7606 -5.6967 -5.6967 -5.5893 -5.5893 -3.7065 -3.7065 -3.5160 -3.5160 -2.8081 -2.8081 -1.1896 -1.1896 -1.1173 -1.1173 -0.5452 -0.5452 3.1766 3.1766 3.3066 3.3066 3.7626 3.7626 4.5512 4.5512 4.8134 4.8134 4.9424 4.9424 5.2143 5.2143 5.3670 5.3670 5.6486 5.6486 6.1360 6.1360 6.4854 6.4854 7.0498 7.0498 7.9085 7.9085 8.1249 8.1249 8.3176 8.3176 8.7365 8.7365 k = 0.5436 0.4285 0.1964 ( 7346 PWs) bands (ev): -20.9549 -20.9549 -20.9419 -20.9419 -7.6828 -7.6828 -7.6697 -7.6697 -5.8939 -5.8939 -5.7641 -5.7641 -5.6939 -5.6939 -5.5893 -5.5893 -3.6973 -3.6973 -3.5225 -3.5225 -2.8013 -2.8013 -1.1917 -1.1917 -1.1404 -1.1404 -0.5329 -0.5329 3.1310 3.1310 3.2877 3.2877 3.7873 3.7873 4.5931 4.5931 4.8297 4.8297 4.9766 4.9766 5.2408 5.2408 5.3900 5.3900 5.6624 5.6624 6.0900 6.0900 6.5025 6.5025 7.0751 7.0751 7.7982 7.7982 8.1151 8.1151 8.3026 8.3026 8.7547 8.7547 k = 0.5363 0.4228 0.2154 ( 7342 PWs) bands (ev): -20.9550 -20.9550 -20.9417 -20.9417 -7.6832 -7.6832 -7.6698 -7.6698 -5.8942 -5.8942 -5.7672 -5.7672 -5.6913 -5.6913 -5.5894 -5.5894 -3.6893 -3.6893 -3.5280 -3.5280 -2.7952 -2.7952 -1.1942 -1.1942 -1.1604 -1.1604 -0.5211 -0.5211 3.0905 3.0905 3.2711 3.2711 3.8082 3.8082 4.6319 4.6319 4.8436 4.8436 5.0014 5.0014 5.2600 5.2600 5.4133 5.4133 5.6967 5.6967 6.0414 6.0414 6.5198 6.5198 7.0991 7.0991 7.6812 7.6812 8.1066 8.1066 8.2900 8.2900 8.7671 8.7671 k = 0.5291 0.4171 0.2344 ( 7350 PWs) bands (ev): -20.9552 -20.9552 -20.9416 -20.9416 -7.6834 -7.6834 -7.6699 -7.6699 -5.8944 -5.8944 -5.7699 -5.7699 -5.6891 -5.6891 -5.5894 -5.5894 -3.6828 -3.6828 -3.5325 -3.5325 -2.7900 -2.7900 -1.1973 -1.1973 -1.1765 -1.1765 -0.5105 -0.5105 3.0561 3.0561 3.2569 3.2569 3.8253 3.8253 4.6657 4.6657 4.8576 4.8576 5.0145 5.0145 5.2787 5.2787 5.4290 5.4290 5.7485 5.7485 5.9936 5.9936 6.5363 6.5363 7.1209 7.1209 7.5659 7.5659 8.0987 8.0987 8.2807 8.2807 8.7743 8.7743 k = 0.5218 0.4113 0.2534 ( 7362 PWs) bands (ev): -20.9553 -20.9553 -20.9415 -20.9415 -7.6836 -7.6836 -7.6699 -7.6699 -5.8946 -5.8946 -5.7720 -5.7720 -5.6873 -5.6873 -5.5895 -5.5895 -3.6777 -3.6777 -3.5361 -3.5361 -2.7857 -2.7857 -1.2016 -1.2016 -1.1878 -1.1878 -0.5017 -0.5017 3.0285 3.0285 3.2456 3.2456 3.8386 3.8386 4.6926 4.6926 4.8734 4.8734 5.0157 5.0157 5.2991 5.2991 5.4379 5.4379 5.8051 5.8051 5.9518 5.9518 6.5511 6.5511 7.1401 7.1401 7.4600 7.4600 8.0912 8.0912 8.2748 8.2748 8.7775 8.7775 k = 0.5145 0.4056 0.2723 ( 7352 PWs) bands (ev): -20.9553 -20.9553 -20.9414 -20.9414 -7.6838 -7.6838 -7.6699 -7.6699 -5.8947 -5.8947 -5.7736 -5.7736 -5.6859 -5.6859 -5.5896 -5.5896 -3.6740 -3.6740 -3.5387 -3.5387 -2.7826 -2.7826 -1.2072 -1.2072 -1.1935 -1.1935 -0.4950 -0.4950 3.0083 3.0083 3.2374 3.2374 3.8481 3.8481 4.7116 4.7116 4.8913 4.8913 5.0076 5.0076 5.3183 5.3183 5.4441 5.4441 5.8452 5.8452 5.9285 5.9285 6.5634 6.5634 7.1562 7.1562 7.3718 7.3718 8.0848 8.0848 8.2718 8.2718 8.7782 8.7782 k = 0.5073 0.3999 0.2913 ( 7356 PWs) bands (ev): -20.9554 -20.9554 -20.9414 -20.9414 -7.6839 -7.6839 -7.6699 -7.6699 -5.8947 -5.8947 -5.7745 -5.7745 -5.6851 -5.6851 -5.5896 -5.5896 -3.6717 -3.6717 -3.5403 -3.5403 -2.7808 -2.7808 -1.2118 -1.2118 -1.1958 -1.1958 -0.4908 -0.4908 2.9961 2.9961 3.2324 3.2324 3.8539 3.8539 4.7226 4.7226 4.9082 4.9082 4.9959 4.9959 5.3318 5.3318 5.4489 5.4489 5.8494 5.8494 5.9367 5.9367 6.5719 6.5719 7.1686 7.1686 7.3108 7.3108 8.0805 8.0805 8.2706 8.2706 8.7778 8.7778 k = 0.5000 0.3941 0.3103 ( 7352 PWs) bands (ev): -20.9554 -20.9554 -20.9414 -20.9414 -7.6839 -7.6839 -7.6700 -7.6700 -5.8947 -5.8947 -5.7749 -5.7749 -5.6849 -5.6849 -5.5896 -5.5896 -3.6710 -3.6710 -3.5408 -3.5408 -2.7801 -2.7801 -1.2135 -1.2135 -1.1964 -1.1964 -0.4894 -0.4894 2.9920 2.9920 3.2308 3.2308 3.8558 3.8558 4.7261 4.7261 4.9161 4.9161 4.9896 4.9896 5.3366 5.3366 5.4510 5.4510 5.8451 5.8451 5.9454 5.9454 6.5749 6.5749 7.1741 7.1741 7.2879 7.2879 8.0790 8.0790 8.2703 8.2703 8.7776 8.7776 k = 0.5000 0.3941 0.3103 ( 7352 PWs) bands (ev): -20.9554 -20.9554 -20.9414 -20.9414 -7.6839 -7.6839 -7.6700 -7.6700 -5.8947 -5.8947 -5.7749 -5.7749 -5.6849 -5.6849 -5.5896 -5.5896 -3.6710 -3.6710 -3.5408 -3.5408 -2.7801 -2.7801 -1.2135 -1.2135 -1.1964 -1.1964 -0.4894 -0.4894 2.9920 2.9920 3.2308 3.2308 3.8558 3.8558 4.7261 4.7261 4.9161 4.9161 4.9896 4.9896 5.3366 5.3366 5.4510 5.4510 5.8451 5.8451 5.9454 5.9454 6.5749 6.5749 7.1741 7.1741 7.2879 7.2879 8.0790 8.0790 8.2703 8.2703 8.7776 8.7776 k = 0.5132 0.3774 0.3103 ( 7356 PWs) bands (ev): -20.9554 -20.9554 -20.9414 -20.9414 -7.6839 -7.6839 -7.6699 -7.6699 -5.8946 -5.8946 -5.7747 -5.7747 -5.6850 -5.6850 -5.5896 -5.5896 -3.6722 -3.6722 -3.5405 -3.5405 -2.7789 -2.7789 -1.2708 -1.2708 -1.1392 -1.1392 -0.4887 -0.4887 2.9940 2.9940 3.2334 3.2334 3.8504 3.8504 4.7211 4.7211 4.9150 4.9150 4.9859 4.9859 5.3357 5.3357 5.4512 5.4512 5.8453 5.8453 5.9467 5.9467 6.5689 6.5689 7.1842 7.1842 7.2927 7.2927 8.0770 8.0770 8.2695 8.2695 8.7753 8.7753 k = 0.5264 0.3606 0.3103 ( 7354 PWs) bands (ev): -20.9553 -20.9553 -20.9414 -20.9414 -7.6838 -7.6838 -7.6699 -7.6699 -5.8942 -5.8942 -5.7741 -5.7741 -5.6855 -5.6855 -5.5895 -5.5895 -3.6756 -3.6756 -3.5396 -3.5396 -2.7752 -2.7752 -1.3356 -1.3356 -1.0743 -1.0743 -0.4864 -0.4864 3.0002 3.0002 3.2412 3.2412 3.8348 3.8348 4.7043 4.7043 4.9116 4.9116 4.9771 4.9771 5.3336 5.3336 5.4518 5.4518 5.8455 5.8455 5.9503 5.9503 6.5510 6.5510 7.2134 7.2134 7.3073 7.3073 8.0706 8.0706 8.2670 8.2670 8.7711 8.7711 k = 0.5396 0.3439 0.3103 ( 7354 PWs) bands (ev): -20.9553 -20.9553 -20.9415 -20.9415 -7.6836 -7.6836 -7.6697 -7.6697 -5.8934 -5.8934 -5.7732 -5.7732 -5.6862 -5.6862 -5.5893 -5.5893 -3.6813 -3.6813 -3.5382 -3.5382 -2.7691 -2.7691 -1.4005 -1.4005 -1.0096 -1.0096 -0.4827 -0.4827 3.0104 3.0104 3.2542 3.2542 3.8099 3.8099 4.6720 4.6720 4.9050 4.9050 4.9688 4.9688 5.3314 5.3314 5.4530 5.4530 5.8451 5.8451 5.9558 5.9558 6.5220 6.5220 7.2567 7.2567 7.3342 7.3342 8.0589 8.0589 8.2630 8.2630 8.7705 8.7705 k = 0.5528 0.3271 0.3103 ( 7344 PWs) bands (ev): -20.9552 -20.9552 -20.9415 -20.9415 -7.6834 -7.6834 -7.6696 -7.6696 -5.8924 -5.8924 -5.7720 -5.7720 -5.6872 -5.6872 -5.5890 -5.5890 -3.6890 -3.6890 -3.5362 -3.5362 -2.7607 -2.7607 -1.4650 -1.4650 -0.9452 -0.9452 -0.4777 -0.4777 3.0243 3.0243 3.2723 3.2723 3.7772 3.7772 4.6219 4.6219 4.8939 4.8939 4.9660 4.9660 5.3301 5.3301 5.4548 5.4548 5.8434 5.8434 5.9629 5.9629 6.4832 6.4832 7.3016 7.3016 7.3821 7.3821 8.0413 8.0413 8.2581 8.2581 8.7785 8.7785 k = 0.5661 0.3103 0.3103 ( 7344 PWs) bands (ev): -20.9551 -20.9551 -20.9416 -20.9416 -7.6831 -7.6831 -7.6694 -7.6694 -5.8911 -5.8911 -5.7705 -5.7705 -5.6883 -5.6883 -5.5887 -5.5887 -3.6986 -3.6986 -3.5338 -3.5338 -2.7499 -2.7499 -1.5291 -1.5291 -0.8814 -0.8814 -0.4715 -0.4715 3.0418 3.0418 3.2953 3.2953 3.7382 3.7382 4.5557 4.5557 4.8777 4.8777 4.9693 4.9693 5.3304 5.3304 5.4575 5.4575 5.8400 5.8400 5.9716 5.9716 6.4362 6.4362 7.3377 7.3377 7.4559 7.4559 8.0177 8.0177 8.2540 8.2540 8.7980 8.7980 k = 0.5793 0.2936 0.3103 ( 7336 PWs) bands (ev): -20.9551 -20.9551 -20.9417 -20.9417 -7.6828 -7.6828 -7.6691 -7.6691 -5.8896 -5.8896 -5.7687 -5.7687 -5.6896 -5.6896 -5.5883 -5.5883 -3.7100 -3.7100 -3.5310 -3.5310 -2.7367 -2.7367 -1.5926 -1.5926 -0.8183 -0.8183 -0.4642 -0.4642 3.0625 3.0625 3.3233 3.3233 3.6947 3.6947 4.4775 4.4775 4.8574 4.8574 4.9755 4.9755 5.3325 5.3325 5.4611 5.4611 5.8351 5.8351 5.9819 5.9819 6.3829 6.3829 7.3674 7.3674 7.5468 7.5468 7.9890 7.9890 8.2533 8.2533 8.8294 8.8294 k = 0.5925 0.2768 0.3103 ( 7338 PWs) bands (ev): -20.9549 -20.9549 -20.9418 -20.9418 -7.6825 -7.6825 -7.6688 -7.6688 -5.8877 -5.8877 -5.7667 -5.7667 -5.6910 -5.6910 -5.5880 -5.5880 -3.7230 -3.7230 -3.5278 -3.5278 -2.7214 -2.7214 -1.6556 -1.6556 -0.7562 -0.7562 -0.4562 -0.4562 3.0858 3.0858 3.3558 3.3558 3.6482 3.6482 4.3918 4.3918 4.8335 4.8335 4.9812 4.9812 5.3364 5.3364 5.4655 5.4655 5.8290 5.8290 5.9940 5.9940 6.3253 6.3253 7.3929 7.3929 7.6453 7.6453 7.9573 7.9573 8.2599 8.2599 8.8711 8.8711 k = 0.6057 0.2601 0.3103 ( 7340 PWs) bands (ev): -20.9548 -20.9548 -20.9419 -20.9419 -7.6820 -7.6820 -7.6685 -7.6685 -5.8856 -5.8856 -5.7646 -5.7646 -5.6923 -5.6923 -5.5877 -5.5877 -3.7374 -3.7374 -3.5241 -3.5241 -2.7039 -2.7039 -1.7178 -1.7178 -0.6951 -0.6951 -0.4476 -0.4476 3.1109 3.1109 3.3924 3.3924 3.6003 3.6003 4.3025 4.3025 4.8065 4.8065 4.9843 4.9843 5.3416 5.3416 5.4708 5.4708 5.8224 5.8224 6.0077 6.0077 6.2652 6.2652 7.4138 7.4138 7.7427 7.7427 7.9257 7.9257 8.2789 8.2789 8.9209 8.9209 k = 0.6189 0.2433 0.3103 ( 7342 PWs) bands (ev): -20.9547 -20.9547 -20.9421 -20.9421 -7.6816 -7.6816 -7.6681 -7.6681 -5.8832 -5.8832 -5.7625 -5.7625 -5.6936 -5.6936 -5.5874 -5.5874 -3.7531 -3.7531 -3.5200 -3.5200 -2.6843 -2.6843 -1.7792 -1.7792 -0.6354 -0.6354 -0.4387 -0.4387 3.1367 3.1367 3.4311 3.4311 3.5540 3.5540 4.2133 4.2133 4.7766 4.7766 4.9837 4.9837 5.3472 5.3472 5.4764 5.4764 5.8161 5.8161 6.0220 6.0220 6.2052 6.2052 7.4289 7.4289 7.8239 7.8239 7.9050 7.9050 8.3150 8.3150 8.9753 8.9753 k = 0.6321 0.2266 0.3103 ( 7342 PWs) bands (ev): -20.9545 -20.9545 -20.9422 -20.9422 -7.6811 -7.6811 -7.6677 -7.6677 -5.8806 -5.8806 -5.7603 -5.7603 -5.6946 -5.6946 -5.5872 -5.5872 -3.7698 -3.7698 -3.5154 -3.5154 -2.6626 -2.6626 -1.8397 -1.8397 -0.5772 -0.5772 -0.4298 -0.4298 3.1618 3.1618 3.4590 3.4590 3.5230 3.5230 4.1273 4.1273 4.7443 4.7443 4.9790 4.9790 5.3522 5.3522 5.4818 5.4818 5.8108 5.8108 6.0333 6.0333 6.1502 6.1502 7.4371 7.4371 7.8388 7.8388 7.9423 7.9423 8.3707 8.3707 9.0289 9.0289 k = 0.6453 0.2098 0.3103 ( 7342 PWs) bands (ev): -20.9544 -20.9544 -20.9424 -20.9424 -7.6805 -7.6805 -7.6672 -7.6672 -5.8778 -5.8778 -5.7583 -5.7583 -5.6954 -5.6954 -5.5871 -5.5871 -3.7875 -3.7875 -3.5104 -3.5104 -2.6390 -2.6390 -1.8993 -1.8993 -0.5210 -0.5210 -0.4210 -0.4210 3.1841 3.1841 3.4362 3.4362 3.5479 3.5479 4.0481 4.0481 4.7099 4.7099 4.9705 4.9705 5.3554 5.3554 5.4863 5.4863 5.8068 5.8068 6.0280 6.0280 6.1145 6.1145 7.4384 7.4384 7.8183 7.8183 8.0075 8.0075 8.4430 8.4430 9.0711 9.0711 k = 0.6585 0.1930 0.3103 ( 7338 PWs) bands (ev): -20.9542 -20.9542 -20.9426 -20.9426 -7.6800 -7.6800 -7.6667 -7.6667 -5.8747 -5.8747 -5.7565 -5.7565 -5.6958 -5.6958 -5.5870 -5.5870 -3.8059 -3.8059 -3.5048 -3.5048 -2.6135 -2.6135 -1.9579 -1.9579 -0.4677 -0.4677 -0.4119 -0.4119 3.2008 3.2008 3.3938 3.3938 3.5979 3.5979 3.9793 3.9793 4.6742 4.6742 4.9587 4.9587 5.3558 5.3558 5.4887 5.4887 5.8038 5.8038 5.9936 5.9936 6.1124 6.1124 7.4332 7.4332 7.7987 7.7987 8.0690 8.0690 8.5219 8.5219 9.1012 9.1012 k = 0.6717 0.1763 0.3103 ( 7340 PWs) bands (ev): -20.9540 -20.9540 -20.9427 -20.9427 -7.6793 -7.6793 -7.6662 -7.6662 -5.8714 -5.8714 -5.7549 -5.7549 -5.6956 -5.6956 -5.5871 -5.5871 -3.8249 -3.8249 -3.4987 -3.4987 -2.5861 -2.5861 -2.0154 -2.0154 -0.4241 -0.4241 -0.3964 -0.3964 3.2087 3.2087 3.3506 3.3506 3.6543 3.6543 3.9249 3.9249 4.6380 4.6380 4.9443 4.9443 5.3529 5.3529 5.4878 5.4878 5.7995 5.7995 5.9521 5.9521 6.1251 6.1251 7.4230 7.4230 7.7854 7.7854 8.1269 8.1269 8.5939 8.5939 9.1371 9.1372 k = 0.6849 0.1595 0.3103 ( 7342 PWs) bands (ev): -20.9538 -20.9538 -20.9429 -20.9429 -7.6787 -7.6787 -7.6657 -7.6657 -5.8680 -5.8680 -5.7537 -5.7537 -5.6950 -5.6950 -5.5872 -5.5872 -3.8443 -3.8443 -3.4920 -3.4920 -2.5570 -2.5570 -2.0718 -2.0718 -0.4086 -0.4086 -0.3566 -0.3566 3.2052 3.2052 3.3092 3.3092 3.7137 3.7137 3.8887 3.8887 4.6023 4.6023 4.9278 4.9278 5.3461 5.3461 5.4823 5.4823 5.7883 5.7883 5.9225 5.9225 6.1399 6.1399 7.4092 7.4092 7.7803 7.7803 8.1832 8.1832 8.6470 8.6470 9.1892 9.1892 k = 0.3151-0.3997 0.5761 ( 7342 PWs) bands (ev): -20.9538 -20.9538 -20.9429 -20.9429 -7.6787 -7.6787 -7.6657 -7.6657 -5.8680 -5.8680 -5.7537 -5.7537 -5.6950 -5.6950 -5.5872 -5.5872 -3.8443 -3.8443 -3.4920 -3.4920 -2.5570 -2.5570 -2.0718 -2.0718 -0.4086 -0.4086 -0.3566 -0.3566 3.2052 3.2052 3.3092 3.3092 3.7137 3.7137 3.8887 3.8887 4.6023 4.6023 4.9278 4.9278 5.3461 5.3461 5.4823 5.4823 5.7883 5.7883 5.9225 5.9225 6.1399 6.1399 7.4092 7.4092 7.7803 7.7803 8.1832 8.1832 8.6470 8.6470 9.1892 9.1892 k = 0.3019-0.3830 0.5761 ( 7354 PWs) bands (ev): -20.9536 -20.9536 -20.9431 -20.9431 -7.6781 -7.6781 -7.6652 -7.6652 -5.8644 -5.8644 -5.7529 -5.7529 -5.6938 -5.6938 -5.5875 -5.5875 -3.8639 -3.8639 -3.4846 -3.4846 -2.5264 -2.5264 -2.1267 -2.1267 -0.4039 -0.4039 -0.3108 -0.3108 3.1896 3.1896 3.2703 3.2703 3.7724 3.7724 3.8741 3.8741 4.5687 4.5687 4.9102 4.9102 5.3354 5.3354 5.4707 5.4707 5.7659 5.7659 5.9136 5.9136 6.1529 6.1529 7.3935 7.3935 7.7844 7.7844 8.2378 8.2378 8.6759 8.6759 9.2535 9.2535 k = 0.2888-0.3664 0.5761 ( 7364 PWs) bands (ev): -20.9534 -20.9534 -20.9433 -20.9433 -7.6774 -7.6774 -7.6646 -7.6646 -5.8608 -5.8608 -5.7524 -5.7524 -5.6921 -5.6921 -5.5879 -5.5879 -3.8836 -3.8836 -3.4766 -3.4766 -2.4942 -2.4942 -2.1805 -2.1805 -0.4027 -0.4027 -0.2665 -0.2665 3.1632 3.1632 3.2341 3.2341 3.8206 3.8206 3.8887 3.8887 4.5386 4.5386 4.8917 4.8917 5.3207 5.3207 5.4520 5.4520 5.7368 5.7368 5.9228 5.9228 6.1626 6.1626 7.3770 7.3770 7.7987 7.7987 8.2902 8.2902 8.6849 8.6849 9.3118 9.3118 k = 0.2757-0.3497 0.5761 ( 7356 PWs) bands (ev): -20.9532 -20.9532 -20.9436 -20.9436 -7.6767 -7.6767 -7.6641 -7.6641 -5.8570 -5.8570 -5.7521 -5.7521 -5.6899 -5.6899 -5.5884 -5.5884 -3.9033 -3.9033 -3.4679 -3.4679 -2.4606 -2.4606 -2.2329 -2.2329 -0.4043 -0.4043 -0.2250 -0.2250 3.1282 3.1282 3.2022 3.2022 3.8469 3.8469 3.9381 3.9381 4.5144 4.5144 4.8730 4.8730 5.3020 5.3020 5.4257 5.4257 5.7086 5.7086 5.9435 5.9435 6.1683 6.1683 7.3608 7.3608 7.8233 7.8233 8.3372 8.3372 8.6829 8.6829 9.3505 9.3505 k = 0.2625-0.3331 0.5761 ( 7346 PWs) bands (ev): -20.9530 -20.9530 -20.9438 -20.9438 -7.6760 -7.6760 -7.6635 -7.6635 -5.8533 -5.8533 -5.7521 -5.7521 -5.6873 -5.6873 -5.5890 -5.5890 -3.9228 -3.9228 -3.4585 -3.4585 -2.4255 -2.4255 -2.2842 -2.2842 -0.4089 -0.4089 -0.1865 -0.1865 3.0877 3.0877 3.1759 3.1759 3.8643 3.8643 4.0027 4.0027 4.4986 4.4986 4.8548 4.8548 5.2796 5.2796 5.3924 5.3924 5.6849 5.6849 5.9713 5.9713 6.1699 6.1699 7.3456 7.3456 7.8582 7.8582 8.3731 8.3731 8.6808 8.6808 9.3725 9.3725 k = 0.2494-0.3164 0.5761 ( 7346 PWs) bands (ev): -20.9528 -20.9528 -20.9440 -20.9440 -7.6753 -7.6753 -7.6630 -7.6630 -5.8495 -5.8495 -5.7522 -5.7522 -5.6844 -5.6844 -5.5897 -5.5897 -3.9421 -3.9421 -3.4483 -3.4483 -2.3894 -2.3894 -2.3338 -2.3338 -0.4167 -0.4167 -0.1514 -0.1514 3.0451 3.0451 3.1556 3.1556 3.8772 3.8772 4.0712 4.0712 4.4944 4.4944 4.8375 4.8375 5.2534 5.2534 5.3541 5.3541 5.6663 5.6663 6.0039 6.0039 6.1678 6.1678 7.3320 7.3320 7.9030 7.9030 8.3903 8.3903 8.6901 8.6901 9.3820 9.3820 k = 0.2363-0.2997 0.5761 ( 7346 PWs) bands (ev): -20.9526 -20.9526 -20.9442 -20.9442 -7.6746 -7.6746 -7.6625 -7.6625 -5.8458 -5.8458 -5.7523 -5.7523 -5.6813 -5.6813 -5.5905 -5.5905 -3.9610 -3.9610 -3.4373 -3.4373 -2.3844 -2.3844 -2.3496 -2.3496 -0.4277 -0.4277 -0.1198 -0.1198 3.0034 3.0034 3.1411 3.1411 3.8829 3.8829 4.1399 4.1399 4.5043 4.5043 4.8222 4.8222 5.2233 5.2233 5.3131 5.3131 5.6518 5.6518 6.0389 6.0389 6.1637 6.1637 7.3203 7.3203 7.9568 7.9568 8.3847 8.3847 8.7171 8.7171 9.3815 9.3815 k = 0.2232-0.2831 0.5761 ( 7352 PWs) bands (ev): -20.9524 -20.9524 -20.9444 -20.9444 -7.6739 -7.6739 -7.6619 -7.6619 -5.8422 -5.8422 -5.7525 -5.7525 -5.6781 -5.6781 -5.5914 -5.5914 -3.9793 -3.9793 -3.4255 -3.4255 -2.4311 -2.4311 -2.3115 -2.3115 -0.4420 -0.4420 -0.0919 -0.0919 2.9650 2.9650 3.1324 3.1324 3.8791 3.8791 4.2068 4.2068 4.5293 4.5293 4.8098 4.8098 5.1891 5.1891 5.2724 5.2724 5.6406 5.6406 6.0715 6.0715 6.1623 6.1623 7.3109 7.3109 8.0178 8.0178 8.3608 8.3608 8.7590 8.7590 9.3725 9.3725 k = 0.2100-0.2664 0.5761 ( 7350 PWs) bands (ev): -20.9522 -20.9522 -20.9446 -20.9446 -7.6731 -7.6731 -7.6614 -7.6614 -5.8387 -5.8387 -5.7526 -5.7526 -5.6747 -5.6747 -5.5924 -5.5924 -3.9971 -3.9971 -3.4129 -3.4129 -2.4772 -2.4772 -2.2715 -2.2715 -0.4598 -0.4598 -0.0677 -0.0677 2.9312 2.9312 3.1294 3.1294 3.8652 3.8652 4.2698 4.2698 4.5680 4.5680 4.8020 4.8020 5.1507 5.1507 5.2342 5.2342 5.6317 5.6317 6.0904 6.0904 6.1750 6.1750 7.3036 7.3036 8.0833 8.0833 8.3279 8.3279 8.8087 8.8087 9.3551 9.3551 k = 0.1969-0.2498 0.5761 ( 7354 PWs) bands (ev): -20.9520 -20.9520 -20.9448 -20.9448 -7.6724 -7.6724 -7.6609 -7.6609 -5.8354 -5.8354 -5.7526 -5.7526 -5.6714 -5.6714 -5.5935 -5.5935 -4.0142 -4.0142 -3.3994 -3.3994 -2.5220 -2.5220 -2.2305 -2.2305 -0.4809 -0.4809 -0.0473 -0.0473 2.9030 2.9030 3.1319 3.1319 3.8425 3.8425 4.3267 4.3267 4.6164 4.6164 4.8011 4.8011 5.1089 5.1089 5.2001 5.2001 5.6245 5.6245 6.0890 6.0890 6.2087 6.2087 7.2987 7.2987 8.1439 8.1439 8.2992 8.2992 8.8590 8.8590 9.3278 9.3278 k = 0.1838-0.2331 0.5761 ( 7346 PWs) bands (ev): -20.9518 -20.9518 -20.9450 -20.9450 -7.6717 -7.6717 -7.6605 -7.6605 -5.8322 -5.8322 -5.7525 -5.7525 -5.6680 -5.6680 -5.5946 -5.5946 -4.0305 -4.0305 -3.3850 -3.3850 -2.5656 -2.5656 -2.1887 -2.1887 -0.5051 -0.5051 -0.0306 -0.0306 2.8811 2.8811 3.1398 3.1398 3.8127 3.8127 4.3748 4.3748 4.6686 4.6686 4.8107 4.8107 5.0659 5.0659 5.1711 5.1711 5.6188 5.6188 6.0772 6.0772 6.2537 6.2537 7.2961 7.2961 8.1674 8.1674 8.3096 8.3096 8.9011 8.9011 9.2847 9.2847 k = 0.1707-0.2165 0.5761 ( 7330 PWs) bands (ev): -20.9516 -20.9516 -20.9452 -20.9452 -7.6710 -7.6710 -7.6601 -7.6601 -5.8292 -5.8292 -5.7524 -5.7524 -5.6646 -5.6646 -5.5958 -5.5958 -4.0459 -4.0459 -3.3698 -3.3698 -2.6080 -2.6080 -2.1462 -2.1462 -0.5324 -0.5324 -0.0174 -0.0174 2.8658 2.8658 3.1528 3.1528 3.7778 3.7778 4.4116 4.4116 4.7161 4.7161 4.8338 4.8338 5.0253 5.0253 5.1489 5.1489 5.6146 5.6146 6.0617 6.0617 6.3036 6.3036 7.2957 7.2957 8.1407 8.1407 8.3728 8.3728 8.9208 8.9208 9.2169 9.2169 k = 0.1575-0.1998 0.5761 ( 7330 PWs) bands (ev): -20.9514 -20.9514 -20.9454 -20.9454 -7.6703 -7.6703 -7.6597 -7.6597 -5.8264 -5.8264 -5.7522 -5.7522 -5.6613 -5.6613 -5.5971 -5.5971 -4.0604 -4.0604 -3.3537 -3.3537 -2.6490 -2.6490 -2.1032 -2.1032 -0.5623 -0.5623 -0.0076 -0.0076 2.8571 2.8571 3.1704 3.1704 3.7393 3.7393 4.4358 4.4358 4.7523 4.7523 4.8634 4.8634 4.9971 4.9971 5.1363 5.1363 5.6120 5.6120 6.0452 6.0452 6.3558 6.3558 7.2975 7.2975 8.0979 8.0979 8.4546 8.4546 8.9004 8.9004 9.1246 9.1246 k = 0.1444-0.1832 0.5761 ( 7336 PWs) bands (ev): -20.9513 -20.9513 -20.9456 -20.9456 -7.6697 -7.6697 -7.6593 -7.6593 -5.8238 -5.8238 -5.7520 -5.7520 -5.6580 -5.6580 -5.5985 -5.5985 -4.0739 -4.0739 -3.3369 -3.3369 -2.6887 -2.6887 -2.0601 -2.0601 -0.5944 -0.5944 -0.0006 -0.0006 2.8550 2.8550 3.1922 3.1922 3.6982 3.6982 4.4480 4.4480 4.7765 4.7765 4.8687 4.8687 5.0052 5.0052 5.1382 5.1382 5.6113 5.6113 6.0287 6.0287 6.4090 6.4090 7.3016 7.3016 8.0519 8.0519 8.5399 8.5399 8.8401 8.8401 9.0184 9.0184 k = 0.1313-0.1665 0.5761 ( 7346 PWs) bands (ev): -20.9511 -20.9511 -20.9457 -20.9457 -7.6691 -7.6691 -7.6590 -7.6590 -5.8214 -5.8214 -5.7517 -5.7517 -5.6547 -5.6547 -5.6000 -5.6000 -4.0864 -4.0864 -3.3191 -3.3191 -2.7271 -2.7271 -2.0171 -2.0171 -0.6284 -0.6284 0.0036 0.0036 2.8593 2.8593 3.2174 3.2174 3.6555 3.6555 4.4503 4.4503 4.7883 4.7883 4.8435 4.8435 5.0460 5.0460 5.1605 5.1605 5.6130 5.6130 6.0131 6.0131 6.4620 6.4620 7.3081 7.3081 8.0065 8.0065 8.6132 8.6132 8.7661 8.7661 8.9096 8.9096 k = 0.1181-0.1499 0.5761 ( 7344 PWs) bands (ev): -20.9510 -20.9510 -20.9459 -20.9459 -7.6685 -7.6685 -7.6587 -7.6587 -5.8192 -5.8192 -5.7515 -5.7515 -5.6514 -5.6514 -5.6015 -5.6015 -4.0978 -4.0978 -3.3007 -3.3007 -2.7642 -2.7642 -1.9745 -1.9745 -0.6636 -0.6636 0.0057 0.0057 2.8696 2.8696 3.2451 3.2451 3.6119 3.6119 4.4450 4.4450 4.7838 4.7838 4.8138 4.8138 5.0907 5.0907 5.2055 5.2055 5.6179 5.6179 5.9988 5.9988 6.5139 6.5139 7.3173 7.3173 7.9633 7.9633 8.6066 8.6066 8.7347 8.7347 8.8279 8.8279 k = 0.1050-0.1332 0.5761 ( 7346 PWs) bands (ev): -20.9508 -20.9508 -20.9460 -20.9460 -7.6679 -7.6679 -7.6585 -7.6585 -5.8172 -5.8172 -5.7513 -5.7513 -5.6482 -5.6482 -5.6032 -5.6032 -4.1081 -4.1081 -3.2815 -3.2815 -2.8000 -2.8000 -1.9328 -1.9328 -0.6994 -0.6994 0.0060 0.0060 2.8856 2.8856 3.2741 3.2741 3.5684 3.5684 4.4342 4.4342 4.7583 4.7583 4.7958 4.7958 5.1313 5.1313 5.2657 5.2657 5.6265 5.6265 5.9863 5.9863 6.5632 6.5632 7.3297 7.3297 7.9232 7.9232 8.5199 8.5199 8.6612 8.6612 8.8668 8.8668 k = 0.0919-0.1166 0.5761 ( 7342 PWs) bands (ev): -20.9507 -20.9507 -20.9461 -20.9461 -7.6674 -7.6674 -7.6583 -7.6583 -5.8154 -5.8154 -5.7512 -5.7512 -5.6450 -5.6450 -5.6050 -5.6050 -4.1173 -4.1173 -3.2617 -3.2617 -2.8343 -2.8343 -1.8926 -1.8926 -0.7350 -0.7350 0.0050 0.0050 2.9067 2.9067 3.3024 3.3024 3.5263 3.5263 4.4193 4.4193 4.7261 4.7261 4.7815 4.7815 5.1680 5.1680 5.3312 5.3312 5.6393 5.6393 5.9757 5.9757 6.6088 6.6088 7.3460 7.3460 7.8869 7.8869 8.4207 8.4207 8.5621 8.5621 8.9463 8.9463 k = 0.0788-0.0999 0.5761 ( 7346 PWs) bands (ev): -20.9506 -20.9506 -20.9462 -20.9462 -7.6669 -7.6669 -7.6581 -7.6581 -5.8139 -5.8139 -5.7511 -5.7511 -5.6418 -5.6418 -5.6069 -5.6069 -4.1253 -4.1253 -3.2414 -3.2414 -2.8670 -2.8670 -1.8546 -1.8546 -0.7696 -0.7696 0.0030 0.0030 2.9324 2.9324 3.3264 3.3264 3.4884 3.4884 4.4014 4.4014 4.6961 4.6961 4.7664 4.7664 5.2002 5.2002 5.3954 5.3954 5.6564 5.6564 5.9674 5.9674 6.6492 6.6492 7.3671 7.3671 7.8549 7.8549 8.3215 8.3215 8.4670 8.4670 9.0256 9.0256 k = 0.0656-0.0833 0.5761 ( 7348 PWs) bands (ev): -20.9505 -20.9505 -20.9463 -20.9463 -7.6664 -7.6664 -7.6580 -7.6580 -5.8125 -5.8125 -5.7511 -5.7511 -5.6386 -5.6386 -5.6089 -5.6089 -4.1320 -4.1320 -3.2210 -3.2210 -2.8980 -2.8980 -1.8195 -1.8195 -0.8020 -0.8020 0.0007 0.0007 2.9620 2.9620 3.3380 3.3380 3.4620 3.4620 4.3817 4.3817 4.6703 4.6703 4.7515 4.7515 5.2267 5.2267 5.4541 5.4541 5.6771 5.6771 5.9612 5.9612 6.6834 6.6834 7.3934 7.3934 7.8274 7.8274 8.2261 8.2261 8.3808 8.3808 9.0968 9.0968 k = 0.0525-0.0666 0.5761 ( 7352 PWs) bands (ev): -20.9504 -20.9504 -20.9464 -20.9464 -7.6661 -7.6661 -7.6579 -7.6579 -5.8113 -5.8113 -5.7511 -5.7511 -5.6356 -5.6356 -5.6110 -5.6110 -4.1376 -4.1376 -3.2007 -3.2007 -2.9268 -2.9268 -1.7885 -1.7885 -0.8312 -0.8312 -0.0019 -0.0019 2.9948 2.9948 3.3266 3.3266 3.4565 3.4565 4.3618 4.3618 4.6494 4.6494 4.7380 4.7380 5.2473 5.2473 5.5047 5.5047 5.6999 5.6999 5.9571 5.9571 6.7105 6.7105 7.4250 7.4250 7.8043 7.8043 8.1370 8.1370 8.3058 8.3058 9.1552 9.1552 k = 0.0394-0.0500 0.5761 ( 7356 PWs) bands (ev): -20.9504 -20.9504 -20.9465 -20.9465 -7.6658 -7.6658 -7.6579 -7.6579 -5.8104 -5.8104 -5.7512 -5.7512 -5.6326 -5.6326 -5.6132 -5.6132 -4.1420 -4.1420 -3.1814 -3.1814 -2.9527 -2.9527 -1.7625 -1.7625 -0.8558 -0.8558 -0.0042 -0.0042 3.0300 3.0300 3.2965 3.2965 3.4666 3.4666 4.3433 4.3433 4.6335 4.6335 4.7267 4.7267 5.2622 5.2622 5.5450 5.5450 5.7224 5.7224 5.9549 5.9549 6.7305 6.7305 7.4606 7.4606 7.7853 7.7853 8.0574 8.0574 8.2443 8.2443 9.1985 9.1985 k = 0.0263-0.0333 0.5761 ( 7358 PWs) bands (ev): -20.9503 -20.9503 -20.9465 -20.9465 -7.6656 -7.6656 -7.6578 -7.6578 -5.8097 -5.8097 -5.7512 -5.7512 -5.6299 -5.6299 -5.6153 -5.6153 -4.1451 -4.1451 -3.1644 -3.1644 -2.9745 -2.9745 -1.7428 -1.7428 -0.8746 -0.8746 -0.0060 -0.0060 3.0659 3.0659 3.2599 3.2599 3.4798 3.4798 4.3283 4.3283 4.6224 4.6224 4.7182 4.7182 5.2721 5.2721 5.5740 5.5740 5.7415 5.7415 5.9539 5.9539 6.7439 6.7439 7.4969 7.4969 7.7697 7.7697 7.9918 7.9918 8.1985 8.1985 9.2272 9.2272 k = 0.0131-0.0167 0.5761 ( 7360 PWs) bands (ev): -20.9503 -20.9503 -20.9465 -20.9465 -7.6655 -7.6655 -7.6578 -7.6578 -5.8093 -5.8093 -5.7513 -5.7513 -5.6278 -5.6278 -5.6171 -5.6171 -4.1469 -4.1469 -3.1519 -3.1519 -2.9897 -2.9897 -1.7305 -1.7305 -0.8865 -0.8865 -0.0072 -0.0072 3.0989 3.0989 3.2256 3.2256 3.4895 3.4895 4.3184 4.3184 4.6159 4.6159 4.7130 4.7130 5.2777 5.2777 5.5914 5.5914 5.7544 5.7544 5.9536 5.9536 6.7514 6.7514 7.5266 7.5266 7.7579 7.7579 7.9472 7.9472 8.1701 8.1701 9.2433 9.2433 k = 0.0000 0.0000 0.5761 ( 7358 PWs) bands (ev): -20.9503 -20.9503 -20.9466 -20.9466 -7.6654 -7.6654 -7.6578 -7.6578 -5.8092 -5.8092 -5.7513 -5.7513 -5.6269 -5.6269 -5.6179 -5.6179 -4.1476 -4.1476 -3.1473 -3.1473 -2.9954 -2.9954 -1.7263 -1.7263 -0.8905 -0.8905 -0.0076 -0.0076 3.1155 3.1155 3.2084 3.2084 3.4930 3.4930 4.3150 4.3150 4.6137 4.6137 4.7112 4.7112 5.2795 5.2795 5.5972 5.5972 5.7590 5.7590 5.9536 5.9536 6.7539 6.7539 7.5387 7.5387 7.7529 7.7529 7.9312 7.9312 8.1605 8.1605 9.2484 9.2484 k = 0.0000 0.0000 0.5761 ( 7358 PWs) bands (ev): -20.9503 -20.9503 -20.9466 -20.9466 -7.6654 -7.6654 -7.6578 -7.6578 -5.8092 -5.8092 -5.7513 -5.7513 -5.6269 -5.6269 -5.6179 -5.6179 -4.1476 -4.1476 -3.1473 -3.1473 -2.9954 -2.9954 -1.7263 -1.7263 -0.8905 -0.8905 -0.0076 -0.0076 3.1155 3.1155 3.2084 3.2084 3.4930 3.4930 4.3150 4.3150 4.6137 4.6137 4.7112 4.7112 5.2795 5.2795 5.5972 5.5972 5.7590 5.7590 5.9536 5.9536 6.7539 6.7539 7.5387 7.5387 7.7529 7.7529 7.9312 7.9312 8.1605 8.1605 9.2484 9.2484 k = 0.0166 0.0131 0.5761 ( 7367 PWs) bands (ev): -20.9503 -20.9503 -20.9466 -20.9466 -7.6655 -7.6655 -7.6578 -7.6578 -5.8096 -5.8096 -5.7510 -5.7510 -5.6283 -5.6283 -5.6167 -5.6167 -4.1468 -4.1468 -3.1477 -3.1477 -2.9950 -2.9950 -1.7254 -1.7254 -0.8904 -0.8904 -0.0090 -0.0090 3.1158 3.1158 3.2098 3.2098 3.4954 3.4954 4.3149 4.3149 4.6056 4.6056 4.7154 4.7154 5.2823 5.2823 5.5934 5.5934 5.7628 5.7628 5.9499 5.9499 6.7607 6.7607 7.5322 7.5322 7.7504 7.7504 7.9287 7.9287 8.1635 8.1635 9.2500 9.2500 k = 0.0332 0.0262 0.5761 ( 7363 PWs) bands (ev): -20.9503 -20.9503 -20.9465 -20.9465 -7.6656 -7.6656 -7.6579 -7.6579 -5.8109 -5.8109 -5.7502 -5.7502 -5.6313 -5.6313 -5.6143 -5.6143 -4.1446 -4.1446 -3.1492 -3.1492 -2.9941 -2.9941 -1.7229 -1.7229 -0.8899 -0.8899 -0.0135 -0.0135 3.1166 3.1166 3.2141 3.2141 3.5024 3.5024 4.3142 4.3142 4.5855 4.5855 4.7247 4.7247 5.2899 5.2899 5.5836 5.5836 5.7726 5.7726 5.9398 5.9398 6.7806 6.7806 7.5129 7.5129 7.7430 7.7430 7.9217 7.9217 8.1720 8.1720 9.2542 9.2542 k = 0.0498 0.0392 0.5761 ( 7367 PWs) bands (ev): -20.9504 -20.9504 -20.9465 -20.9465 -7.6659 -7.6659 -7.6580 -7.6580 -5.8129 -5.8129 -5.7491 -5.7491 -5.6350 -5.6350 -5.6117 -5.6117 -4.1409 -4.1409 -3.1515 -3.1515 -2.9924 -2.9924 -1.7186 -1.7186 -0.8892 -0.8892 -0.0209 -0.0209 3.1180 3.1180 3.2211 3.2211 3.5141 3.5141 4.3108 4.3108 4.5606 4.5606 4.7349 4.7349 5.3001 5.3001 5.5706 5.5706 5.7842 5.7842 5.9271 5.9271 6.8122 6.8122 7.4820 7.4820 7.7312 7.7312 7.9114 7.9114 8.1847 8.1847 9.2589 9.2589 k = 0.0664 0.0523 0.5761 ( 7355 PWs) bands (ev): -20.9504 -20.9504 -20.9464 -20.9464 -7.6663 -7.6663 -7.6581 -7.6581 -5.8155 -5.8155 -5.7476 -5.7476 -5.6390 -5.6390 -5.6091 -5.6091 -4.1358 -4.1358 -3.1550 -3.1550 -2.9902 -2.9902 -1.7126 -1.7126 -0.8882 -0.8882 -0.0312 -0.0312 3.1203 3.1203 3.2308 3.2308 3.5301 3.5301 4.3019 4.3019 4.5373 4.5373 4.7443 4.7443 5.3095 5.3095 5.5567 5.5567 5.7924 5.7924 5.9176 5.9176 6.8534 6.8534 7.4410 7.4410 7.7156 7.7156 7.8992 7.8992 8.2002 8.2002 9.2612 9.2612 k = 0.0830 0.0654 0.5761 ( 7359 PWs) bands (ev): -20.9505 -20.9505 -20.9464 -20.9464 -7.6668 -7.6668 -7.6583 -7.6583 -5.8186 -5.8186 -5.7460 -5.7460 -5.6431 -5.6431 -5.6068 -5.6068 -4.1292 -4.1292 -3.1594 -3.1594 -2.9873 -2.9873 -1.7048 -1.7048 -0.8870 -0.8870 -0.0443 -0.0443 3.1237 3.1237 3.2432 3.2432 3.5505 3.5505 4.2838 4.2838 4.5203 4.5203 4.7532 4.7532 5.3146 5.3146 5.5433 5.5433 5.7929 5.7929 5.9178 5.9178 6.9023 6.9023 7.3917 7.3917 7.6976 7.6976 7.8860 7.8860 8.2172 8.2172 9.2572 9.2572 k = 0.0996 0.0785 0.5761 ( 7362 PWs) bands (ev): -20.9506 -20.9506 -20.9463 -20.9463 -7.6674 -7.6674 -7.6585 -7.6585 -5.8220 -5.8220 -5.7444 -5.7444 -5.6473 -5.6473 -5.6046 -5.6046 -4.1212 -4.1212 -3.1650 -3.1650 -2.9838 -2.9838 -1.6951 -1.6951 -0.8856 -0.8856 -0.0600 -0.0600 3.1284 3.1284 3.2582 3.2582 3.5748 3.5748 4.2548 4.2548 4.5118 4.5118 4.7622 4.7622 5.3126 5.3126 5.5295 5.5295 5.7878 5.7878 5.9289 5.9289 6.9567 6.9567 7.3361 7.3361 7.6785 7.6785 7.8724 7.8724 8.2347 8.2347 9.2421 9.2421 k = 0.1162 0.0916 0.5761 ( 7359 PWs) bands (ev): -20.9506 -20.9506 -20.9462 -20.9462 -7.6680 -7.6680 -7.6588 -7.6588 -5.8258 -5.8258 -5.7430 -5.7430 -5.6515 -5.6515 -5.6027 -5.6027 -4.1117 -4.1117 -3.1718 -3.1718 -2.9798 -2.9798 -1.6835 -1.6835 -0.8840 -0.8840 -0.0783 -0.0783 3.1344 3.1344 3.2755 3.2755 3.6029 3.6029 4.2163 4.2163 4.5107 4.5107 4.7723 4.7723 5.3022 5.3022 5.5130 5.5130 5.7841 5.7841 5.9473 5.9473 7.0138 7.0138 7.2767 7.2767 7.6600 7.6600 7.8586 7.8586 8.2518 8.2518 9.2110 9.2110 k = 0.1328 0.1046 0.5761 ( 7354 PWs) bands (ev): -20.9507 -20.9507 -20.9461 -20.9461 -7.6687 -7.6687 -7.6592 -7.6592 -5.8297 -5.8297 -5.7417 -5.7417 -5.6556 -5.6556 -5.6010 -5.6010 -4.1009 -4.1009 -3.1798 -3.1798 -2.9753 -2.9753 -1.6699 -1.6699 -0.8823 -0.8823 -0.0990 -0.0990 3.1421 3.1421 3.2952 3.2952 3.6346 3.6346 4.1710 4.1710 4.5135 4.5135 4.7847 4.7847 5.2836 5.2836 5.4919 5.4919 5.7870 5.7870 5.9692 5.9692 7.0677 7.0677 7.2193 7.2193 7.6436 7.6436 7.8450 7.8450 8.2679 8.2679 9.1616 9.1616 k = 0.1493 0.1177 0.5761 ( 7352 PWs) bands (ev): -20.9508 -20.9508 -20.9460 -20.9460 -7.6694 -7.6694 -7.6596 -7.6596 -5.8337 -5.8337 -5.7407 -5.7407 -5.6597 -5.6597 -5.5995 -5.5995 -4.0886 -4.0886 -3.1890 -3.1890 -2.9703 -2.9703 -1.6543 -1.6543 -0.8806 -0.8806 -0.1219 -0.1219 3.1514 3.1514 3.3170 3.3170 3.6695 3.6695 4.1216 4.1216 4.5174 4.5174 4.7999 4.7999 5.2578 5.2578 5.4663 5.4663 5.7973 5.7973 5.9927 5.9927 7.0885 7.0885 7.1928 7.1928 7.6309 7.6309 7.8319 7.8319 8.2825 8.2825 9.0964 9.0964 k = 0.1659 0.1308 0.5761 ( 7341 PWs) bands (ev): -20.9510 -20.9510 -20.9459 -20.9459 -7.6702 -7.6702 -7.6600 -7.6600 -5.8377 -5.8377 -5.7400 -5.7400 -5.6636 -5.6636 -5.5982 -5.5982 -4.0751 -4.0751 -3.1996 -3.1996 -2.9648 -2.9648 -1.6366 -1.6366 -0.8789 -0.8789 -0.1468 -0.1468 3.1624 3.1624 3.3406 3.3406 3.7073 3.7073 4.0702 4.0702 4.5201 4.5201 4.8183 4.8183 5.2256 5.2256 5.4383 5.4383 5.8135 5.8135 6.0166 6.0166 7.0426 7.0426 7.2290 7.2290 7.6232 7.6232 7.8204 7.8204 8.2954 8.2954 9.0204 9.0204 k = 0.1825 0.1439 0.5761 ( 7333 PWs) bands (ev): -20.9511 -20.9511 -20.9458 -20.9458 -7.6710 -7.6710 -7.6605 -7.6605 -5.8418 -5.8418 -5.7396 -5.7396 -5.6675 -5.6675 -5.5971 -5.5971 -4.0602 -4.0602 -3.2116 -3.2116 -2.9589 -2.9589 -1.6168 -1.6168 -0.8773 -0.8773 -0.1735 -0.1735 3.1751 3.1751 3.3657 3.3657 3.7475 3.7475 4.0183 4.0183 4.5207 4.5207 4.8389 4.8389 5.1884 5.1884 5.4104 5.4104 5.8329 5.8329 6.0404 6.0404 6.9760 6.9760 7.2789 7.2789 7.6221 7.6221 7.8125 7.8125 8.3066 8.3066 8.9383 8.9383 k = 0.1991 0.1570 0.5761 ( 7329 PWs) bands (ev): -20.9512 -20.9512 -20.9456 -20.9456 -7.6718 -7.6718 -7.6611 -7.6611 -5.8459 -5.8459 -5.7395 -5.7395 -5.6711 -5.6711 -5.5961 -5.5961 -4.0440 -4.0440 -3.2249 -3.2249 -2.9526 -2.9526 -1.5950 -1.5950 -0.8759 -0.8759 -0.2018 -0.2018 3.1896 3.1896 3.3917 3.3917 3.7889 3.7889 3.9678 3.9678 4.5193 4.5193 4.8597 4.8597 5.1484 5.1484 5.3844 5.3844 5.8534 5.8534 6.0640 6.0640 6.9053 6.9053 7.3204 7.3204 7.6296 7.6296 7.8114 7.8114 8.3162 8.3162 8.8537 8.8537 k = 0.2157 0.1701 0.5761 ( 7324 PWs) bands (ev): -20.9514 -20.9514 -20.9455 -20.9455 -7.6726 -7.6726 -7.6617 -7.6617 -5.8500 -5.8500 -5.7396 -5.7396 -5.6747 -5.6747 -5.5952 -5.5952 -4.0267 -4.0267 -3.2395 -3.2395 -2.9460 -2.9460 -1.5712 -1.5712 -0.8747 -0.8747 -0.2316 -0.2316 3.2059 3.2059 3.4181 3.4181 3.8267 3.8267 3.9241 3.9241 4.5165 4.5165 4.8764 4.8764 5.1099 5.1099 5.3613 5.3613 5.8732 5.8732 6.0873 6.0873 6.8337 6.8337 7.3442 7.3442 7.6470 7.6470 7.8223 7.8223 8.3245 8.3245 8.7693 8.7693 k = 0.2323 0.1831 0.5761 ( 7325 PWs) bands (ev): -20.9515 -20.9515 -20.9453 -20.9453 -7.6734 -7.6734 -7.6623 -7.6623 -5.8539 -5.8539 -5.7400 -5.7400 -5.6782 -5.6782 -5.5944 -5.5944 -4.0083 -4.0083 -3.2555 -3.2555 -2.9391 -2.9391 -1.5454 -1.5454 -0.8739 -0.8739 -0.2625 -0.2625 3.2238 3.2238 3.4441 3.4441 3.8322 3.8322 3.9159 3.9159 4.5135 4.5135 4.8809 4.8809 5.0804 5.0804 5.3415 5.3415 5.8908 5.8908 6.1106 6.1106 6.7628 6.7628 7.3458 7.3458 7.6722 7.6722 7.8503 7.8503 8.3318 8.3318 8.6870 8.6870 k = 0.2489 0.1962 0.5761 ( 7330 PWs) bands (ev): -20.9517 -20.9517 -20.9452 -20.9452 -7.6742 -7.6742 -7.6629 -7.6629 -5.8578 -5.8578 -5.7404 -5.7404 -5.6815 -5.6815 -5.5937 -5.5937 -3.9889 -3.9889 -3.2726 -3.2726 -2.9319 -2.9319 -1.5177 -1.5177 -0.8735 -0.8735 -0.2943 -0.2943 3.2433 3.2433 3.4690 3.4690 3.7950 3.7950 3.9540 3.9540 4.5115 4.5115 4.8645 4.8645 5.0686 5.0686 5.3254 5.3254 5.9052 5.9052 6.1339 6.1339 6.6936 6.6936 7.3269 7.3269 7.7009 7.7009 7.8974 7.8974 8.3383 8.3383 8.6086 8.6086 k = 0.2655 0.2093 0.5761 ( 7316 PWs) bands (ev): -20.9518 -20.9518 -20.9450 -20.9450 -7.6750 -7.6750 -7.6636 -7.6636 -5.8616 -5.8616 -5.7409 -5.7409 -5.6848 -5.6848 -5.5932 -5.5932 -3.9686 -3.9686 -3.2909 -3.2909 -2.9246 -2.9246 -1.4883 -1.4883 -0.8736 -0.8736 -0.3268 -0.3268 3.2643 3.2643 3.4918 3.4918 3.7495 3.7495 4.0037 4.0037 4.5119 4.5119 4.8269 4.8269 5.0737 5.0737 5.3134 5.3134 5.9153 5.9153 6.1574 6.1574 6.6275 6.6275 7.2922 7.2922 7.7314 7.7314 7.9603 7.9603 8.3437 8.3437 8.5353 8.5353 k = 0.2821 0.2224 0.5761 ( 7324 PWs) bands (ev): -20.9520 -20.9520 -20.9449 -20.9449 -7.6757 -7.6757 -7.6642 -7.6642 -5.8653 -5.8653 -5.7415 -5.7415 -5.6880 -5.6880 -5.5927 -5.5927 -3.9476 -3.9476 -3.3101 -3.3101 -2.9170 -2.9170 -1.4573 -1.4573 -0.8744 -0.8744 -0.3598 -0.3598 3.2867 3.2867 3.5118 3.5118 3.7037 3.7037 4.0573 4.0573 4.5161 4.5161 4.7764 4.7764 5.0865 5.0865 5.3060 5.3060 5.9202 5.9202 6.1807 6.1807 6.5658 6.5658 7.2466 7.2466 7.7638 7.7638 8.0334 8.0334 8.3474 8.3474 8.4687 8.4687 k = 0.2987 0.2355 0.5761 ( 7324 PWs) bands (ev): -20.9521 -20.9521 -20.9447 -20.9447 -7.6764 -7.6764 -7.6648 -7.6648 -5.8687 -5.8687 -5.7420 -5.7420 -5.6911 -5.6911 -5.5923 -5.5923 -3.9261 -3.9261 -3.3301 -3.3301 -2.9093 -2.9093 -1.4249 -1.4249 -0.8758 -0.8758 -0.3930 -0.3930 3.3102 3.3102 3.5280 3.5280 3.6592 3.6592 4.1131 4.1131 4.5249 4.5249 4.7196 4.7196 5.0995 5.0995 5.3040 5.3040 5.9191 5.9191 6.2028 6.2028 6.5108 6.5108 7.1941 7.1941 7.7986 7.7986 8.1116 8.1116 8.3470 8.3470 8.4121 8.4121 k = 0.3153 0.2485 0.5761 ( 7329 PWs) bands (ev): -20.9523 -20.9523 -20.9445 -20.9445 -7.6771 -7.6771 -7.6655 -7.6655 -5.8720 -5.8720 -5.7424 -5.7424 -5.6941 -5.6941 -5.5920 -5.5920 -3.9042 -3.9042 -3.3506 -3.3506 -2.9015 -2.9015 -1.3912 -1.3912 -0.8781 -0.8781 -0.4263 -0.4263 3.3347 3.3347 3.5396 3.5396 3.6170 3.6170 4.1703 4.1703 4.5390 4.5390 4.6606 4.6606 5.1086 5.1086 5.3074 5.3074 5.9111 5.9111 6.2215 6.2215 6.4658 6.4658 7.1382 7.1382 7.8356 7.8356 8.1887 8.1887 8.3312 8.3312 8.3799 8.3799 k = 0.3319 0.2616 0.5761 ( 7326 PWs) bands (ev): -20.9525 -20.9525 -20.9444 -20.9444 -7.6777 -7.6777 -7.6661 -7.6661 -5.8750 -5.8750 -5.7427 -5.7427 -5.6971 -5.6971 -5.5917 -5.5917 -3.8824 -3.8824 -3.3712 -3.3712 -2.8937 -2.8937 -1.3566 -1.3566 -0.8812 -0.8812 -0.4593 -0.4593 3.3595 3.3595 3.5433 3.5433 3.5806 3.5806 4.2283 4.2283 4.5541 4.5541 4.6058 4.6058 5.1122 5.1122 5.3153 5.3153 5.8958 5.8958 6.2332 6.2332 6.4351 6.4351 7.0818 7.0818 7.8742 7.8742 8.2481 8.2481 8.3016 8.3016 8.3849 8.3849 k = 0.3485 0.2747 0.5761 ( 7323 PWs) bands (ev): -20.9527 -20.9527 -20.9442 -20.9442 -7.6782 -7.6782 -7.6666 -7.6666 -5.8778 -5.8778 -5.7429 -5.7429 -5.7000 -5.7000 -5.5916 -5.5916 -3.8611 -3.8611 -3.3916 -3.3916 -2.8857 -2.8857 -1.3213 -1.3213 -0.8853 -0.8853 -0.4917 -0.4917 3.3840 3.3840 3.5253 3.5253 3.5646 3.5646 4.2858 4.2858 4.5281 4.5281 4.5996 4.5996 5.1108 5.1108 5.3257 5.3257 5.8725 5.8725 6.2350 6.2350 6.4223 6.4223 7.0277 7.0277 7.9131 7.9131 8.2426 8.2426 8.3049 8.3049 8.4266 8.4266 k = 0.3651 0.2878 0.5761 ( 7328 PWs) bands (ev): -20.9529 -20.9529 -20.9440 -20.9440 -7.6787 -7.6787 -7.6671 -7.6671 -5.8803 -5.8803 -5.7430 -5.7430 -5.7027 -5.7027 -5.5915 -5.5915 -3.8408 -3.8408 -3.4111 -3.4111 -2.8778 -2.8778 -1.2855 -1.2855 -0.8905 -0.8905 -0.5234 -0.5234 3.4060 3.4060 3.4943 3.4943 3.5628 3.5628 4.3382 4.3382 4.4772 4.4772 4.6305 4.6305 5.1054 5.1054 5.3364 5.3364 5.8417 5.8417 6.2285 6.2285 6.4250 6.4250 6.9788 6.9788 7.9506 7.9506 8.2139 8.2139 8.3073 8.3073 8.4963 8.4963 k = 0.3817 0.3009 0.5761 ( 7340 PWs) bands (ev): -20.9530 -20.9530 -20.9438 -20.9438 -7.6791 -7.6791 -7.6676 -7.6676 -5.8824 -5.8824 -5.7431 -5.7431 -5.7052 -5.7052 -5.5914 -5.5914 -3.8225 -3.8225 -3.4289 -3.4289 -2.8699 -2.8699 -1.2498 -1.2498 -0.8968 -0.8968 -0.5539 -0.5539 3.4164 3.4164 3.4727 3.4727 3.5622 3.5622 4.3585 4.3585 4.4566 4.4566 4.6694 4.6694 5.0970 5.0970 5.3451 5.3451 5.8041 5.8041 6.2193 6.2193 6.4360 6.4360 6.9381 6.9381 7.9840 7.9840 8.1896 8.1896 8.3025 8.3025 8.5739 8.5739 k = 0.3983 0.3139 0.5761 ( 7347 PWs) bands (ev): -20.9532 -20.9532 -20.9436 -20.9436 -7.6795 -7.6795 -7.6679 -7.6679 -5.8842 -5.8842 -5.7430 -5.7430 -5.7076 -5.7076 -5.5914 -5.5914 -3.8071 -3.8071 -3.4438 -3.4438 -2.8621 -2.8621 -1.2146 -1.2146 -0.9043 -0.9043 -0.5829 -0.5829 3.4002 3.4002 3.4762 3.4762 3.5626 3.5626 4.3196 4.3196 4.4958 4.4958 4.7130 4.7130 5.0866 5.0866 5.3505 5.3505 5.7616 5.7616 6.2118 6.2118 6.4483 6.4483 6.9085 6.9085 8.0088 8.0088 8.1731 8.1731 8.2979 8.2979 8.6513 8.6513 k = 0.5000 0.3941-0.2658 ( 7298 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6781 -7.6781 -7.6640 -7.6640 -5.8356 -5.8356 -5.8189 -5.8189 -5.6374 -5.6374 -5.6304 -5.6304 -3.9379 -3.9379 -3.3852 -3.3852 -2.8522 -2.8522 -0.9029 -0.9029 -0.7763 -0.7763 -0.6433 -0.6433 2.6304 2.6304 3.1441 3.1441 3.8745 3.8745 4.2803 4.2803 4.6970 4.6970 4.7586 4.7586 5.2490 5.2490 5.2747 5.2747 5.7581 5.7581 5.9251 5.9251 6.3179 6.3179 6.6725 6.6725 7.2497 7.2497 7.8350 7.8350 8.0688 8.0688 8.9172 8.9172 k = 0.5135 0.3770-0.2658 ( 7296 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6782 -7.6782 -7.6639 -7.6639 -5.8361 -5.8361 -5.8181 -5.8181 -5.6383 -5.6383 -5.6296 -5.6296 -3.9390 -3.9390 -3.3844 -3.3844 -2.8524 -2.8524 -0.9012 -0.9012 -0.8007 -0.8007 -0.6191 -0.6191 2.6297 2.6297 3.1433 3.1433 3.8772 3.8772 4.2791 4.2791 4.6929 4.6929 4.7587 4.7587 5.2415 5.2415 5.2821 5.2821 5.7469 5.7469 5.9206 5.9206 6.3119 6.3119 6.6807 6.6807 7.2680 7.2680 7.8415 7.8415 8.0678 8.0678 8.9215 8.9215 k = 0.5270 0.3599-0.2658 ( 7294 PWs) bands (ev): -20.9530 -20.9530 -20.9441 -20.9441 -7.6782 -7.6782 -7.6636 -7.6636 -5.8373 -5.8373 -5.8158 -5.8158 -5.6402 -5.6402 -5.6279 -5.6279 -3.9421 -3.9421 -3.3820 -3.3820 -2.8527 -2.8527 -0.8962 -0.8962 -0.8503 -0.8503 -0.5697 -0.5697 2.6275 2.6275 3.1408 3.1408 3.8852 3.8852 4.2754 4.2754 4.6810 4.6810 4.7591 4.7591 5.2270 5.2270 5.2954 5.2954 5.7171 5.7171 5.9069 5.9069 6.2951 6.2951 6.7045 6.7045 7.3207 7.3207 7.8607 7.8607 8.0650 8.0650 8.9342 8.9342 k = 0.5405 0.3427-0.2658 ( 7304 PWs) bands (ev): -20.9530 -20.9530 -20.9440 -20.9440 -7.6784 -7.6784 -7.6632 -7.6632 -5.8388 -5.8388 -5.8127 -5.8127 -5.6426 -5.6426 -5.6259 -5.6259 -3.9474 -3.9474 -3.3780 -3.3780 -2.8531 -2.8531 -0.9074 -0.9074 -0.8873 -0.8873 -0.5137 -0.5137 2.6239 2.6239 3.1366 3.1366 3.8984 3.8984 4.2694 4.2694 4.6622 4.6622 4.7594 4.7594 5.2088 5.2088 5.3081 5.3081 5.6778 5.6778 5.8840 5.8840 6.2695 6.2695 6.7419 6.7419 7.4015 7.4015 7.8914 7.8914 8.0609 8.0609 8.9552 8.9552 k = 0.5541 0.3256-0.2658 ( 7312 PWs) bands (ev): -20.9531 -20.9531 -20.9440 -20.9440 -7.6785 -7.6785 -7.6626 -7.6626 -5.8403 -5.8403 -5.8088 -5.8088 -5.6452 -5.6452 -5.6238 -5.6238 -3.9547 -3.9547 -3.3724 -3.3724 -2.8533 -2.8533 -0.9658 -0.9658 -0.8763 -0.8763 -0.4559 -0.4559 2.6188 2.6188 3.1308 3.1308 3.9165 3.9165 4.2610 4.2610 4.6371 4.6371 4.7598 4.7598 5.1856 5.1856 5.3166 5.3166 5.6400 5.6400 5.8534 5.8534 6.2376 6.2376 6.7907 6.7907 7.5033 7.5033 7.9320 7.9320 8.0565 8.0565 8.9843 8.9843 k = 0.5676 0.3084-0.2658 ( 7312 PWs) bands (ev): -20.9532 -20.9532 -20.9439 -20.9439 -7.6787 -7.6787 -7.6619 -7.6619 -5.8415 -5.8415 -5.8046 -5.8046 -5.6479 -5.6479 -5.6216 -5.6216 -3.9642 -3.9642 -3.3653 -3.3653 -2.8532 -2.8532 -1.0252 -1.0252 -0.8625 -0.8625 -0.3977 -0.3977 2.6121 2.6121 3.1233 3.1233 3.9391 3.9391 4.2508 4.2508 4.6054 4.6054 4.7604 4.7604 5.1566 5.1566 5.3187 5.3187 5.6130 5.6130 5.8171 5.8171 6.2012 6.2012 6.8486 6.8486 7.6187 7.6187 7.9790 7.9790 8.0550 8.0550 9.0211 9.0211 k = 0.4324-0.5486 0.0000 ( 7312 PWs) bands (ev): -20.9532 -20.9532 -20.9439 -20.9439 -7.6787 -7.6787 -7.6619 -7.6619 -5.8415 -5.8415 -5.8046 -5.8046 -5.6479 -5.6479 -5.6216 -5.6216 -3.9642 -3.9642 -3.3653 -3.3653 -2.8532 -2.8532 -1.0252 -1.0252 -0.8625 -0.8625 -0.3977 -0.3977 2.6121 2.6121 3.1233 3.1233 3.9391 3.9391 4.2508 4.2508 4.6054 4.6054 4.7604 4.7604 5.1566 5.1566 5.3187 5.3187 5.6130 5.6130 5.8171 5.8171 6.2012 6.2012 6.8486 6.8486 7.6187 7.6187 7.9790 7.9790 8.0550 8.0550 9.0211 9.0211 k = 0.4189-0.5314 0.0000 ( 7318 PWs) bands (ev): -20.9533 -20.9533 -20.9438 -20.9438 -7.6790 -7.6790 -7.6610 -7.6610 -5.8424 -5.8424 -5.8000 -5.8000 -5.6507 -5.6507 -5.6195 -5.6195 -3.9759 -3.9759 -3.3565 -3.3565 -2.8524 -2.8524 -1.0846 -1.0846 -0.8466 -0.8466 -0.3398 -0.3398 2.6037 2.6037 3.1145 3.1145 3.9652 3.9652 4.2392 4.2392 4.5659 4.5659 4.7619 4.7619 5.1227 5.1227 5.3145 5.3145 5.6002 5.6002 5.7780 5.7780 6.1624 6.1624 6.9139 6.9139 7.7403 7.7403 8.0194 8.0194 8.0704 8.0704 9.0652 9.0652 k = 0.4054-0.5143 0.0000 ( 7318 PWs) bands (ev): -20.9534 -20.9534 -20.9437 -20.9437 -7.6793 -7.6793 -7.6600 -7.6600 -5.8430 -5.8430 -5.7952 -5.7952 -5.6536 -5.6536 -5.6175 -5.6175 -3.9897 -3.9897 -3.3463 -3.3463 -2.8506 -2.8506 -1.1437 -1.1437 -0.8292 -0.8292 -0.2827 -0.2827 2.5936 2.5936 3.1046 3.1046 3.9935 3.9935 4.2271 4.2271 4.5178 4.5178 4.7649 4.7649 5.0874 5.0874 5.3062 5.3062 5.5976 5.5976 5.7396 5.7396 6.1227 6.1227 6.9849 6.9849 7.8559 7.8559 8.0406 8.0406 8.1225 8.1225 9.1160 9.1160 k = 0.3919-0.4971 0.0000 ( 7310 PWs) bands (ev): -20.9536 -20.9536 -20.9435 -20.9435 -7.6796 -7.6796 -7.6588 -7.6588 -5.8431 -5.8431 -5.7901 -5.7901 -5.6566 -5.6566 -5.6155 -5.6155 -4.0057 -4.0057 -3.3345 -3.3345 -2.8475 -2.8475 -1.2023 -1.2023 -0.8108 -0.8108 -0.2267 -0.2267 2.5816 2.5816 3.0940 3.0940 4.0218 4.0218 4.2147 4.2147 4.4624 4.4624 4.7700 4.7700 5.0551 5.0551 5.2963 5.2963 5.5953 5.5953 5.7089 5.7089 6.0838 6.0838 7.0605 7.0605 7.9341 7.9341 8.0884 8.0884 8.1930 8.1930 9.1726 9.1726 k = 0.3784-0.4800 0.0000 ( 7312 PWs) bands (ev): -20.9537 -20.9537 -20.9434 -20.9434 -7.6799 -7.6799 -7.6575 -7.6575 -5.8428 -5.8428 -5.7849 -5.7849 -5.6596 -5.6596 -5.6135 -5.6135 -4.0238 -4.0238 -3.3211 -3.3211 -2.8427 -2.8427 -1.2603 -1.2603 -0.7922 -0.7922 -0.1721 -0.1721 2.5676 2.5676 3.0834 3.0834 4.0469 4.0469 4.1991 4.1991 4.4073 4.4073 4.7775 4.7775 5.0284 5.0284 5.2861 5.2861 5.5795 5.5795 5.6969 5.6969 6.0469 6.0469 7.1393 7.1393 7.9577 7.9577 8.1817 8.1817 8.2769 8.2769 9.2340 9.2340 k = 0.3649-0.4629 0.0000 ( 7308 PWs) bands (ev): -20.9539 -20.9539 -20.9432 -20.9432 -7.6803 -7.6803 -7.6561 -7.6561 -5.8421 -5.8421 -5.7796 -5.7796 -5.6626 -5.6626 -5.6116 -5.6116 -4.0440 -4.0440 -3.3063 -3.3063 -2.8359 -2.8359 -1.3174 -1.3174 -0.7739 -0.7739 -0.1191 -0.1191 2.5515 2.5515 3.0733 3.0733 4.0643 4.0643 4.1697 4.1697 4.3698 4.3698 4.7872 4.7872 5.0074 5.0074 5.2761 5.2761 5.5478 5.5478 5.7044 5.7044 6.0134 6.0134 7.2205 7.2205 7.9606 7.9606 8.2791 8.2791 8.3791 8.3791 9.2982 9.2982 k = 0.3513-0.4457 0.0000 ( 7304 PWs) bands (ev): -20.9541 -20.9541 -20.9430 -20.9430 -7.6807 -7.6807 -7.6545 -7.6545 -5.8409 -5.8409 -5.7742 -5.7742 -5.6657 -5.6657 -5.6097 -5.6097 -4.0661 -4.0661 -3.2901 -3.2901 -2.8270 -2.8270 -1.3736 -1.3736 -0.7568 -0.7568 -0.0680 -0.0680 2.5334 2.5334 3.0646 3.0646 4.0656 4.0656 4.1212 4.1212 4.3666 4.3666 4.7984 4.7984 4.9909 4.9909 5.2666 5.2666 5.5098 5.5098 5.7219 5.7219 5.9843 5.9843 7.3026 7.3026 7.9597 7.9597 8.3659 8.3659 8.4958 8.4958 9.3625 9.3625 k = 0.3378-0.4286 0.0000 ( 7302 PWs) bands (ev): -20.9543 -20.9543 -20.9428 -20.9428 -7.6812 -7.6812 -7.6529 -7.6529 -5.8393 -5.8393 -5.7688 -5.7688 -5.6688 -5.6688 -5.6079 -5.6079 -4.0901 -4.0901 -3.2723 -3.2723 -2.8156 -2.8156 -1.4288 -1.4288 -0.7414 -0.7414 -0.0191 -0.0191 2.5134 2.5134 3.0579 3.0579 4.0141 4.0141 4.0985 4.0985 4.3922 4.3922 4.8102 4.8102 4.9773 4.9773 5.2579 5.2579 5.4721 5.4721 5.7431 5.7431 5.9605 5.9605 7.3843 7.3843 7.9600 7.9600 8.4468 8.4468 8.6157 8.6157 9.4206 9.4206 k = 0.3243-0.4114 0.0000 ( 7318 PWs) bands (ev): -20.9545 -20.9545 -20.9426 -20.9426 -7.6816 -7.6816 -7.6511 -7.6511 -5.8373 -5.8373 -5.7633 -5.7633 -5.6719 -5.6719 -5.6061 -5.6061 -4.1158 -4.1158 -3.2532 -3.2532 -2.8017 -2.8017 -1.4829 -1.4829 -0.7286 -0.7286 0.0273 0.0273 2.4919 2.4919 3.0538 3.0538 3.9283 3.9283 4.0975 4.0975 4.4337 4.4337 4.8211 4.8211 4.9649 4.9649 5.2502 5.2502 5.4388 5.4388 5.7656 5.7656 5.9427 5.9427 7.4634 7.4634 7.9645 7.9645 8.5255 8.5255 8.7318 8.7318 9.4591 9.4591 k = 0.3108-0.3943 0.0000 ( 7324 PWs) bands (ev): -20.9547 -20.9547 -20.9424 -20.9424 -7.6821 -7.6821 -7.6493 -7.6493 -5.8348 -5.8348 -5.7578 -5.7578 -5.6750 -5.6750 -5.6044 -5.6044 -4.1430 -4.1430 -3.2328 -3.2328 -2.7851 -2.7851 -1.5358 -1.5358 -0.7189 -0.7189 0.0708 0.0708 2.4692 2.4692 3.0529 3.0529 3.8361 3.8361 4.0992 4.0992 4.4829 4.4829 4.8298 4.8298 4.9528 4.9528 5.2438 5.2438 5.4131 5.4131 5.7880 5.7880 5.9316 5.9316 7.5369 7.5369 7.9767 7.9767 8.6031 8.6031 8.8403 8.8403 9.4617 9.4617 k = 0.2973-0.3771 0.0000 ( 7326 PWs) bands (ev): -20.9549 -20.9549 -20.9422 -20.9422 -7.6826 -7.6826 -7.6473 -7.6473 -5.8319 -5.8319 -5.7524 -5.7524 -5.6780 -5.6780 -5.6027 -5.6027 -4.1715 -4.1715 -3.2110 -3.2110 -2.7658 -2.7658 -1.5874 -1.5874 -0.7129 -0.7129 0.1113 0.1113 2.4460 2.4460 3.0552 3.0552 3.7437 3.7437 4.1023 4.1023 4.5343 4.5343 4.8345 4.8345 4.9409 4.9409 5.2393 5.2393 5.3976 5.3976 5.8096 5.8096 5.9279 5.9279 7.6006 7.6006 8.0004 8.0004 8.6798 8.6798 8.9388 8.9388 9.4302 9.4302 k = 0.2838-0.3600 0.0000 ( 7334 PWs) bands (ev): -20.9551 -20.9551 -20.9420 -20.9420 -7.6832 -7.6832 -7.6454 -7.6454 -5.8287 -5.8287 -5.7470 -5.7470 -5.6809 -5.6809 -5.6010 -5.6010 -4.2012 -4.2012 -3.1880 -3.1880 -2.7436 -2.7436 -1.6378 -1.6378 -0.7112 -0.7112 0.1483 0.1483 2.4229 2.4229 3.0611 3.0611 3.6536 3.6536 4.1067 4.1067 4.5831 4.5831 4.8338 4.8338 4.9304 4.9304 5.2378 5.2378 5.3935 5.3935 5.8297 5.8297 5.9321 5.9321 7.6505 7.6505 8.0396 8.0396 8.7558 8.7558 9.0252 9.0252 9.3780 9.3780 k = 0.2703-0.3429 0.0000 ( 7320 PWs) bands (ev): -20.9554 -20.9554 -20.9418 -20.9418 -7.6837 -7.6837 -7.6433 -7.6433 -5.8251 -5.8251 -5.7416 -5.7416 -5.6837 -5.6837 -5.5994 -5.5994 -4.2317 -4.2317 -3.1637 -3.1637 -2.7186 -2.7186 -1.6867 -1.6867 -0.7143 -0.7143 0.1816 0.1816 2.4005 2.4005 3.0703 3.0703 3.5675 3.5675 4.1124 4.1124 4.6244 4.6244 4.8266 4.8266 4.9251 4.9251 5.2409 5.2409 5.4005 5.4005 5.8485 5.8485 5.9446 5.9446 7.6846 7.6846 8.0956 8.0956 8.8304 8.8304 9.0979 9.0979 9.3115 9.3115 k = 0.2568-0.3257 0.0000 ( 7316 PWs) bands (ev): -20.9556 -20.9556 -20.9415 -20.9415 -7.6842 -7.6842 -7.6412 -7.6412 -5.8212 -5.8212 -5.7365 -5.7365 -5.6863 -5.6863 -5.5977 -5.5977 -4.2628 -4.2628 -3.1384 -3.1384 -2.6907 -2.6907 -1.7343 -1.7343 -0.7224 -0.7224 0.2108 0.2108 2.3793 2.3793 3.0828 3.0828 3.4867 3.4867 4.1190 4.1190 4.6526 4.6526 4.8124 4.8124 4.9299 4.9299 5.2497 5.2497 5.4170 5.4170 5.8668 5.8668 5.9651 5.9651 7.7048 7.7048 8.1660 8.1660 8.9025 8.9025 9.1545 9.1545 9.2342 9.2342 k = 0.2432-0.3086 0.0000 ( 7320 PWs) bands (ev): -20.9558 -20.9558 -20.9413 -20.9413 -7.6848 -7.6848 -7.6391 -7.6391 -5.8171 -5.8171 -5.7315 -5.7315 -5.6887 -5.6887 -5.5961 -5.5961 -4.2944 -4.2944 -3.1120 -3.1120 -2.6601 -2.6601 -1.7804 -1.7804 -0.7359 -0.7359 0.2359 0.2359 2.3599 2.3599 3.0980 3.0980 3.4122 3.4122 4.1259 4.1259 4.6650 4.6650 4.7926 4.7926 4.9472 4.9472 5.2643 5.2643 5.4408 5.4408 5.8860 5.8860 5.9932 5.9932 7.7148 7.7148 8.2460 8.2460 8.9686 8.9686 9.1368 9.1368 9.2075 9.2075 k = 0.2297-0.2914 0.0000 ( 7318 PWs) bands (ev): -20.9561 -20.9561 -20.9411 -20.9411 -7.6854 -7.6854 -7.6370 -7.6370 -5.8128 -5.8128 -5.7269 -5.7269 -5.6908 -5.6908 -5.5944 -5.5944 -4.3262 -4.3262 -3.0846 -3.0846 -2.6268 -2.6268 -1.8250 -1.8250 -0.7547 -0.7547 0.2565 0.2565 2.3427 2.3427 3.1153 3.1153 3.3451 3.3451 4.1323 4.1323 4.6627 4.6627 4.7708 4.7708 4.9743 4.9743 5.2838 5.2838 5.4696 5.4696 5.9069 5.9069 6.0291 6.0291 7.7179 7.7179 8.3300 8.3300 8.9965 8.9965 9.0715 9.0715 9.2389 9.2389 k = 0.2162-0.2743 0.0000 ( 7316 PWs) bands (ev): -20.9563 -20.9563 -20.9409 -20.9409 -7.6859 -7.6859 -7.6349 -7.6349 -5.8083 -5.8083 -5.7229 -5.7229 -5.6922 -5.6922 -5.5927 -5.5927 -4.3579 -4.3579 -3.0564 -3.0564 -2.5908 -2.5908 -1.8681 -1.8681 -0.7790 -0.7790 0.2727 0.2727 2.3277 2.3277 3.1327 3.1327 3.2873 3.2873 4.1371 4.1371 4.6494 4.6494 4.7509 4.7509 5.0062 5.0062 5.3070 5.3070 5.5012 5.5012 5.9299 5.9299 6.0737 6.0737 7.7161 7.7161 8.4105 8.4105 8.9142 8.9142 9.0970 9.0970 9.2698 9.2698 k = 0.2027-0.2571 0.0000 ( 7318 PWs) bands (ev): -20.9565 -20.9565 -20.9406 -20.9406 -7.6865 -7.6865 -7.6329 -7.6329 -5.8037 -5.8037 -5.7196 -5.7196 -5.6929 -5.6929 -5.5910 -5.5910 -4.3893 -4.3893 -3.0275 -3.0275 -2.5523 -2.5523 -1.9098 -1.9098 -0.8085 -0.8085 0.2844 0.2844 2.3152 2.3152 3.1447 3.1447 3.2442 3.2442 4.1392 4.1392 4.6284 4.6284 4.7370 4.7370 5.0389 5.0389 5.3324 5.3324 5.5331 5.5331 5.9547 5.9547 6.1284 6.1284 7.7110 7.7110 8.4699 8.4699 8.8277 8.8277 9.1165 9.1165 9.3107 9.3107 k = 0.1892-0.2400 0.0000 ( 7318 PWs) bands (ev): -20.9567 -20.9567 -20.9404 -20.9404 -7.6870 -7.6870 -7.6308 -7.6308 -5.7992 -5.7992 -5.7174 -5.7174 -5.6924 -5.6924 -5.5892 -5.5892 -4.4202 -4.4202 -2.9980 -2.9980 -2.5113 -2.5113 -1.9499 -1.9499 -0.8432 -0.8432 0.2917 0.2917 2.3050 2.3050 3.1372 3.1372 3.2297 3.2297 4.1374 4.1374 4.6021 4.6021 4.7317 4.7317 5.0703 5.0703 5.3586 5.3586 5.5635 5.5635 5.9807 5.9807 6.1943 6.1943 7.7030 7.7030 8.4677 8.4677 8.7973 8.7973 9.1098 9.1098 9.3656 9.3656 k = 0.1757-0.2229 0.0000 ( 7316 PWs) bands (ev): -20.9569 -20.9569 -20.9402 -20.9402 -7.6875 -7.6875 -7.6288 -7.6288 -5.7946 -5.7946 -5.7164 -5.7164 -5.6907 -5.6907 -5.5873 -5.5873 -4.4504 -4.4504 -2.9680 -2.9680 -2.4679 -2.4679 -1.9884 -1.9884 -0.8825 -0.8825 0.2949 0.2949 2.2972 2.2972 3.1104 3.1104 3.2428 3.2428 4.1309 4.1309 4.5730 4.5730 4.7362 4.7362 5.0997 5.0997 5.3844 5.3844 5.5909 5.5909 6.0075 6.0075 6.2716 6.2716 7.6922 7.6922 8.3893 8.3893 8.8395 8.8395 9.0844 9.0844 9.4288 9.4288 k = 0.1622-0.2057 0.0000 ( 7324 PWs) bands (ev): -20.9572 -20.9572 -20.9400 -20.9400 -7.6880 -7.6880 -7.6269 -7.6269 -5.7902 -5.7902 -5.7165 -5.7165 -5.6881 -5.6881 -5.5853 -5.5853 -4.4796 -4.4796 -2.9378 -2.9378 -2.4223 -2.4223 -2.0254 -2.0254 -0.9262 -0.9262 0.2943 0.2943 2.2915 2.2915 3.0807 3.0807 3.2666 3.2666 4.1194 4.1194 4.5429 4.5429 4.7507 4.7507 5.1268 5.1268 5.4090 5.4090 5.6149 5.6149 6.0344 6.0344 6.3596 6.3596 7.6782 7.6782 8.2775 8.2775 8.9054 8.9054 9.0558 9.0558 9.4946 9.4946 k = 0.1486-0.1886 0.0000 ( 7314 PWs) bands (ev): -20.9573 -20.9573 -20.9398 -20.9398 -7.6885 -7.6885 -7.6251 -7.6251 -5.7860 -5.7860 -5.7171 -5.7171 -5.6848 -5.6848 -5.5831 -5.5831 -4.5076 -4.5076 -2.9074 -2.9074 -2.3747 -2.3747 -2.0609 -2.0609 -0.9738 -0.9738 0.2904 0.2904 2.2876 2.2876 3.0543 3.0543 3.2940 3.2940 4.1032 4.1032 4.5130 4.5130 4.7750 4.7750 5.1518 5.1518 5.4316 5.4316 5.6352 5.6352 6.0612 6.0612 6.4571 6.4571 7.6593 7.6593 8.1590 8.1590 8.9259 8.9259 9.0735 9.0735 9.5589 9.5589 k = 0.1351-0.1714 0.0000 ( 7312 PWs) bands (ev): -20.9575 -20.9575 -20.9396 -20.9396 -7.6889 -7.6889 -7.6234 -7.6234 -5.7819 -5.7819 -5.7182 -5.7182 -5.6813 -5.6813 -5.5809 -5.5809 -4.5342 -4.5342 -2.8772 -2.8772 -2.3252 -2.3252 -2.0947 -2.0947 -1.0247 -1.0247 0.2837 0.2837 2.2853 2.2853 3.0324 3.0324 3.3228 3.3228 4.0829 4.0829 4.4843 4.4843 4.8082 4.8082 5.1749 5.1749 5.4517 5.4517 5.6523 5.6523 6.0874 6.0874 6.5625 6.5625 7.6325 7.6325 8.0466 8.0466 8.8802 8.8802 9.1528 9.1528 9.6186 9.6186 k = 0.1216-0.1543 0.0000 ( 7318 PWs) bands (ev): -20.9577 -20.9577 -20.9395 -20.9395 -7.6894 -7.6894 -7.6217 -7.6217 -5.7782 -5.7782 -5.7194 -5.7194 -5.6777 -5.6777 -5.5786 -5.5786 -4.5591 -4.5591 -2.8474 -2.8474 -2.2742 -2.2742 -2.1269 -2.1269 -1.0784 -1.0784 0.2749 0.2749 2.2844 2.2844 3.0150 3.0150 3.3520 3.3520 4.0596 4.0596 4.4571 4.4571 4.8493 4.8493 5.1961 5.1961 5.4688 5.4688 5.6663 5.6663 6.1124 6.1124 6.6741 6.6741 7.5929 7.5929 7.9497 7.9497 8.8127 8.8127 9.2472 9.2472 9.6707 9.6707 k = 0.1081-0.1371 0.0000 ( 7332 PWs) bands (ev): -20.9578 -20.9578 -20.9393 -20.9393 -7.6898 -7.6898 -7.6203 -7.6203 -5.7748 -5.7748 -5.7206 -5.7206 -5.6743 -5.6743 -5.5762 -5.5762 -4.5822 -4.5822 -2.8182 -2.8182 -2.2221 -2.2221 -2.1569 -2.1569 -1.1343 -1.1343 0.2646 0.2646 2.2844 2.2844 3.0018 3.0018 3.3810 3.3810 4.0343 4.0343 4.4320 4.4320 4.8967 4.8967 5.2157 5.2157 5.4827 5.4827 5.6778 5.6778 6.1357 6.1357 6.7901 6.7901 7.5357 7.5357 7.8762 7.8762 8.7359 8.7359 9.3436 9.3436 9.7130 9.7130 k = 0.0946-0.1200 0.0000 ( 7325 PWs) bands (ev): -20.9580 -20.9580 -20.9392 -20.9392 -7.6901 -7.6901 -7.6189 -7.6189 -5.7717 -5.7717 -5.7217 -5.7217 -5.6712 -5.6712 -5.5737 -5.5737 -4.6032 -4.6032 -2.7901 -2.7901 -2.1895 -2.1895 -2.1646 -2.1646 -1.1916 -1.1916 0.2535 0.2535 2.2852 2.2852 2.9920 2.9920 3.4092 3.4092 4.0081 4.0081 4.4092 4.4092 4.9488 4.9488 5.2339 5.2339 5.4931 5.4931 5.6870 5.6870 6.1567 6.1567 6.9086 6.9086 7.4623 7.4623 7.8274 7.8274 8.6529 8.6529 9.4376 9.4376 9.7450 9.7450 k = 0.0811-0.1029 0.0000 ( 7333 PWs) bands (ev): -20.9581 -20.9581 -20.9391 -20.9391 -7.6904 -7.6904 -7.6177 -7.6177 -5.7690 -5.7690 -5.7227 -5.7227 -5.6684 -5.6684 -5.5713 -5.5713 -4.6220 -4.6220 -2.7634 -2.7634 -2.2139 -2.2139 -2.1126 -2.1126 -1.2497 -1.2497 0.2423 0.2423 2.2864 2.2864 2.9852 2.9852 3.4361 3.4361 3.9820 3.9820 4.3889 4.3889 5.0036 5.0036 5.2508 5.2508 5.4997 5.4997 5.6942 5.6942 6.1748 6.1748 7.0269 7.0269 7.3821 7.3821 7.7973 7.7973 8.5653 8.5653 9.5265 9.5265 9.7679 9.7679 k = 0.0676-0.0857 0.0000 ( 7331 PWs) bands (ev): -20.9582 -20.9582 -20.9390 -20.9390 -7.6907 -7.6907 -7.6167 -7.6167 -5.7667 -5.7667 -5.7236 -5.7236 -5.6660 -5.6660 -5.5691 -5.5691 -4.6382 -4.6382 -2.7386 -2.7386 -2.2380 -2.2380 -2.0588 -2.0588 -1.3075 -1.3075 0.2316 0.2316 2.2879 2.2879 2.9807 2.9807 3.4612 3.4612 3.9569 3.9569 4.3714 4.3714 5.0588 5.0588 5.2667 5.2667 5.5023 5.5023 5.6997 5.6997 6.1895 6.1895 7.1364 7.1364 7.3112 7.3112 7.7788 7.7788 8.4744 8.4744 9.6071 9.6071 9.7841 9.7841 k = 0.0541-0.0686 0.0000 ( 7331 PWs) bands (ev): -20.9583 -20.9583 -20.9389 -20.9389 -7.6909 -7.6909 -7.6158 -7.6158 -5.7648 -5.7648 -5.7243 -5.7243 -5.6640 -5.6640 -5.5671 -5.5671 -4.6518 -4.6518 -2.7165 -2.7165 -2.2594 -2.2594 -2.0062 -2.0062 -1.3636 -1.3636 0.2220 0.2220 2.2894 2.2894 2.9778 2.9778 3.4837 3.4837 3.9339 3.9339 4.3569 4.3569 5.1112 5.1112 5.2824 5.2824 5.5007 5.5007 5.7038 5.7038 6.2005 6.2005 7.1795 7.1795 7.3120 7.3120 7.7667 7.7667 8.3819 8.3819 9.6753 9.6753 9.7970 9.7970 k = 0.0405-0.0514 0.0000 ( 7331 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6911 -7.6911 -7.6152 -7.6152 -5.7634 -5.7634 -5.7249 -5.7249 -5.6625 -5.6625 -5.5653 -5.5653 -4.6625 -4.6625 -2.6978 -2.6978 -2.2773 -2.2773 -1.9568 -1.9568 -1.4159 -1.4159 0.2140 0.2140 2.2908 2.2908 2.9762 2.9762 3.5030 3.5030 3.9140 3.9140 4.3454 4.3454 5.1570 5.1570 5.2987 5.2987 5.4950 5.4950 5.7066 5.7066 6.2079 6.2079 7.1373 7.1373 7.4052 7.4052 7.7580 7.7580 8.2909 8.2909 9.7247 9.7247 9.8119 9.8119 k = 0.0270-0.0343 0.0000 ( 7327 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6912 -7.6912 -7.6147 -7.6147 -5.7623 -5.7623 -5.7253 -5.7253 -5.6614 -5.6614 -5.5641 -5.5641 -4.6703 -4.6703 -2.6835 -2.6835 -2.2911 -2.2911 -1.9139 -1.9139 -1.4609 -1.4609 0.2080 0.2080 2.2918 2.2918 2.9753 2.9753 3.5179 3.5179 3.8985 3.8985 4.3371 4.3371 5.1915 5.1915 5.3164 5.3164 5.4860 5.4860 5.7083 5.7083 6.2123 6.2123 7.0946 7.0946 7.5037 7.5037 7.7501 7.7501 8.2071 8.2071 9.7512 9.7512 9.8318 9.8318 k = 0.0135-0.0171 0.0000 ( 7329 PWs) bands (ev): -20.9584 -20.9584 -20.9387 -20.9387 -7.6913 -7.6913 -7.6144 -7.6144 -5.7617 -5.7617 -5.7255 -5.7255 -5.6607 -5.6607 -5.5632 -5.5632 -4.6750 -4.6750 -2.6744 -2.6744 -2.2998 -2.2998 -1.8832 -1.8832 -1.4930 -1.4930 0.2043 0.2043 2.2925 2.2925 2.9749 2.9749 3.5274 3.5274 3.8886 3.8886 4.3321 4.3321 5.2119 5.2119 5.3325 5.3325 5.4767 5.4767 5.7093 5.7093 6.2145 6.2145 7.0670 7.0670 7.5829 7.5829 7.7410 7.7410 8.1428 8.1428 9.7613 9.7613 9.8492 9.8492 k = 0.0000 0.0000 0.0000 ( 7329 PWs) bands (ev): -20.9585 -20.9585 -20.9387 -20.9387 -7.6913 -7.6913 -7.6143 -7.6143 -5.7615 -5.7615 -5.7256 -5.7256 -5.6605 -5.6605 -5.5630 -5.5630 -4.6766 -4.6766 -2.6713 -2.6713 -2.3028 -2.3028 -1.8717 -1.8717 -1.5049 -1.5049 0.2030 0.2030 2.2928 2.2928 2.9748 2.9748 3.5307 3.5307 3.8852 3.8852 4.3305 4.3305 5.2185 5.2185 5.3395 5.3395 5.4724 5.4724 5.7096 5.7096 6.2151 6.2151 7.0575 7.0575 7.6169 7.6169 7.7346 7.7346 8.1173 8.1173 9.7638 9.7638 9.8557 9.8557 k = 0.0000 0.0000 0.0000 ( 7329 PWs) bands (ev): -20.9585 -20.9585 -20.9387 -20.9387 -7.6913 -7.6913 -7.6143 -7.6143 -5.7615 -5.7615 -5.7256 -5.7256 -5.6605 -5.6605 -5.5630 -5.5630 -4.6766 -4.6766 -2.6713 -2.6713 -2.3028 -2.3028 -1.8717 -1.8717 -1.5049 -1.5049 0.2030 0.2030 2.2928 2.2928 2.9748 2.9748 3.5307 3.5307 3.8852 3.8852 4.3305 4.3305 5.2185 5.2185 5.3395 5.3395 5.4724 5.4724 5.7096 5.7096 6.2151 6.2151 7.0575 7.0575 7.6169 7.6169 7.7346 7.7346 8.1173 8.1173 9.7638 9.7638 9.8557 9.8557 k = 0.0200-0.0048-0.0053 ( 7331 PWs) bands (ev): -20.9584 -20.9584 -20.9387 -20.9387 -7.6913 -7.6913 -7.6144 -7.6144 -5.7616 -5.7616 -5.7257 -5.7257 -5.6607 -5.6607 -5.5633 -5.5633 -4.6750 -4.6750 -2.6733 -2.6733 -2.3033 -2.3033 -1.8763 -1.8763 -1.4974 -1.4974 0.2030 0.2030 2.2938 2.2938 2.9755 2.9755 3.5293 3.5293 3.8868 3.8868 4.3306 4.3306 5.2141 5.2141 5.3356 5.3356 5.4737 5.4737 5.7098 5.7098 6.2147 6.2147 7.0634 7.0634 7.5953 7.5953 7.7412 7.7412 8.1300 8.1300 9.7563 9.7563 9.8528 9.8528 k = 0.0400-0.0096-0.0106 ( 7331 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6912 -7.6912 -7.6147 -7.6147 -5.7618 -5.7618 -5.7260 -5.7260 -5.6613 -5.6613 -5.5642 -5.5642 -4.6703 -4.6703 -2.6795 -2.6795 -2.3049 -2.3049 -1.8888 -1.8888 -1.4760 -1.4760 0.2029 0.2029 2.2969 2.2969 2.9773 2.9773 3.5255 3.5255 3.8918 3.8918 4.3311 4.3311 5.2005 5.2005 5.3250 5.3250 5.4772 5.4772 5.7101 5.7101 6.2135 6.2135 7.0810 7.0810 7.5408 7.5408 7.7557 7.7557 8.1634 8.1634 9.7316 9.7316 9.8454 9.8454 k = 0.0600-0.0144-0.0159 ( 7329 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6911 -7.6911 -7.6152 -7.6152 -5.7622 -5.7622 -5.7264 -5.7264 -5.6623 -5.6623 -5.5656 -5.5656 -4.6625 -4.6625 -2.6899 -2.6899 -2.3075 -2.3075 -1.9063 -1.9063 -1.4439 -1.4439 0.2028 0.2028 2.3020 2.3020 2.9802 2.9802 3.5198 3.5198 3.8994 3.8994 4.3318 4.3318 5.1777 5.1777 5.3106 5.3106 5.4824 5.4824 5.7089 5.7089 6.2114 6.2114 7.1091 7.1091 7.4677 7.4677 7.7742 7.7742 8.2086 8.2086 9.6885 9.6885 9.8317 9.8317 k = 0.0800-0.0192-0.0213 ( 7323 PWs) bands (ev): -20.9583 -20.9583 -20.9389 -20.9389 -7.6909 -7.6909 -7.6159 -7.6159 -5.7628 -5.7628 -5.7270 -5.7270 -5.6637 -5.6637 -5.5675 -5.5675 -4.6517 -4.6517 -2.7045 -2.7045 -2.3110 -2.3110 -1.9256 -1.9256 -1.4042 -1.4042 0.2026 0.2026 2.3092 2.3092 2.9839 2.9839 3.5130 3.5130 3.9092 3.9092 4.3326 4.3326 5.1461 5.1461 5.2949 5.2949 5.4885 5.4885 5.7051 5.7051 6.2082 6.2082 7.1443 7.1443 7.3868 7.3868 7.7969 7.7969 8.2586 8.2586 9.6294 9.6294 9.8047 9.8047 k = 0.1000-0.0240-0.0266 ( 7327 PWs) bands (ev): -20.9582 -20.9582 -20.9390 -20.9390 -7.6907 -7.6907 -7.6168 -7.6168 -5.7636 -5.7636 -5.7278 -5.7278 -5.6654 -5.6654 -5.5697 -5.5697 -4.6381 -4.6381 -2.7235 -2.7235 -2.3151 -2.3151 -1.9447 -1.9447 -1.3593 -1.3593 0.2023 0.2023 2.3183 2.3183 2.9879 2.9879 3.5062 3.5062 3.9205 3.9205 4.3336 4.3336 5.1076 5.1076 5.2790 5.2790 5.4943 5.4943 5.6983 5.6983 6.2038 6.2038 7.1704 7.1704 7.3185 7.3185 7.8245 7.8245 8.3090 8.3090 9.5585 9.5585 9.7615 9.7615 k = 0.1200-0.0288-0.0319 ( 7326 PWs) bands (ev): -20.9581 -20.9581 -20.9391 -20.9391 -7.6904 -7.6904 -7.6178 -7.6178 -5.7646 -5.7646 -5.7287 -5.7287 -5.6675 -5.6675 -5.5721 -5.5721 -4.6218 -4.6218 -2.7467 -2.7467 -2.3197 -2.3197 -1.9619 -1.9619 -1.3111 -1.3111 0.2020 0.2020 2.3293 2.3293 2.9917 2.9917 3.5005 3.5005 3.9324 3.9324 4.3346 4.3346 5.0644 5.0644 5.2630 5.2630 5.4983 5.4983 5.6890 5.6890 6.1984 6.1984 7.1344 7.1344 7.3179 7.3179 7.8572 7.8572 8.3576 8.3576 9.4794 9.4794 9.7057 9.7057 k = 0.1400-0.0336-0.0372 ( 7325 PWs) bands (ev): -20.9580 -20.9580 -20.9392 -20.9392 -7.6901 -7.6901 -7.6191 -7.6191 -5.7659 -5.7659 -5.7299 -5.7299 -5.6697 -5.6697 -5.5746 -5.5746 -4.6031 -4.6031 -2.7741 -2.7741 -2.3245 -2.3245 -1.9767 -1.9767 -1.2608 -1.2608 0.2016 0.2016 2.3420 2.3420 2.9947 2.9947 3.4970 3.4970 3.9444 3.9444 4.3353 4.3353 5.0190 5.0190 5.2468 5.2468 5.4981 5.4981 5.6792 5.6792 6.1920 6.1920 7.0486 7.0486 7.3738 7.3738 7.8953 7.8953 8.4030 8.4030 9.3955 9.3955 9.6417 9.6417 k = 0.1600-0.0384-0.0425 ( 7323 PWs) bands (ev): -20.9579 -20.9579 -20.9393 -20.9393 -7.6897 -7.6897 -7.6204 -7.6204 -5.7674 -5.7674 -5.7313 -5.7313 -5.6720 -5.6720 -5.5772 -5.5772 -4.5822 -4.5822 -2.8052 -2.8052 -2.3292 -2.3292 -1.9886 -1.9886 -1.2094 -1.2094 0.2011 0.2011 2.3565 2.3565 2.9963 2.9963 3.4968 3.4968 3.9560 3.9560 4.3357 4.3357 4.9732 4.9732 5.2300 5.2300 5.4912 5.4912 5.6713 5.6713 6.1852 6.1852 6.9520 6.9520 7.4476 7.4476 7.9387 7.9387 8.4439 8.4439 9.3099 9.3099 9.5736 9.5736 k = 0.1800-0.0432-0.0478 ( 7324 PWs) bands (ev): -20.9577 -20.9577 -20.9394 -20.9394 -7.6893 -7.6893 -7.6220 -7.6220 -5.7691 -5.7691 -5.7329 -5.7329 -5.6743 -5.6743 -5.5797 -5.5797 -4.5593 -4.5593 -2.8397 -2.8397 -2.3337 -2.3337 -1.9979 -1.9979 -1.1576 -1.1576 0.2005 0.2005 2.3726 2.3726 2.9960 2.9960 3.5006 3.5006 3.9666 3.9666 4.3356 4.3356 4.9284 4.9284 5.2124 5.2124 5.4757 5.4757 5.6673 5.6673 6.1782 6.1782 6.8546 6.8546 7.5295 7.5295 7.9874 7.9874 8.4789 8.4789 9.2259 9.2259 9.5042 9.5042 k = 0.2000-0.0480-0.0532 ( 7332 PWs) bands (ev): -20.9576 -20.9576 -20.9396 -20.9396 -7.6888 -7.6888 -7.6236 -7.6236 -5.7711 -5.7711 -5.7349 -5.7349 -5.6764 -5.6764 -5.5821 -5.5821 -4.5346 -4.5346 -2.8771 -2.8771 -2.3377 -2.3377 -2.0047 -2.0047 -1.1060 -1.1060 0.1998 0.1998 2.3902 2.3902 2.9932 2.9932 3.5090 3.5090 3.9760 3.9760 4.3348 4.3348 4.8860 4.8860 5.1938 5.1938 5.4517 5.4517 5.6672 5.6672 6.1715 6.1715 6.7603 6.7603 7.6157 7.6157 8.0411 8.0411 8.5063 8.5063 9.1473 9.1473 9.4357 9.4357 k = 0.2200-0.0528-0.0585 ( 7334 PWs) bands (ev): -20.9574 -20.9574 -20.9397 -20.9397 -7.6883 -7.6883 -7.6253 -7.6253 -5.7733 -5.7733 -5.7371 -5.7371 -5.6783 -5.6783 -5.5843 -5.5843 -4.5084 -4.5084 -2.9167 -2.9167 -2.3413 -2.3413 -2.0094 -2.0094 -1.0552 -1.0552 0.1990 0.1990 2.4091 2.4091 2.9879 2.9879 3.5223 3.5223 3.9838 3.9838 4.3330 4.3330 4.8468 4.8468 5.1739 5.1739 5.4210 5.4210 5.6688 5.6688 6.1655 6.1655 6.6719 6.6719 7.7032 7.7032 8.0990 8.0990 8.5236 8.5236 9.0784 9.0784 9.3690 9.3690 k = 0.2400-0.0576-0.0638 ( 7332 PWs) bands (ev): -20.9573 -20.9573 -20.9399 -20.9399 -7.6877 -7.6877 -7.6271 -7.6271 -5.7758 -5.7758 -5.7396 -5.7396 -5.6798 -5.6798 -5.5864 -5.5864 -4.4810 -4.4810 -2.9579 -2.9579 -2.3443 -2.3443 -2.0123 -2.0123 -1.0056 -1.0056 0.1980 0.1980 2.4292 2.4292 2.9799 2.9799 3.5405 3.5405 3.9901 3.9901 4.3302 4.3302 4.8114 4.8114 5.1524 5.1524 5.3858 5.3858 5.6697 5.6697 6.1605 6.1605 6.5921 6.5921 7.7894 7.7894 8.1596 8.1596 8.5294 8.5294 9.0235 9.0235 9.3042 9.3042 k = 0.2600-0.0624-0.0691 ( 7333 PWs) bands (ev): -20.9571 -20.9571 -20.9401 -20.9401 -7.6871 -7.6871 -7.6290 -7.6290 -5.7784 -5.7784 -5.7423 -5.7423 -5.6809 -5.6809 -5.5883 -5.5883 -4.4527 -4.4527 -3.0001 -3.0001 -2.3467 -2.3467 -2.0138 -2.0138 -0.9576 -0.9576 0.1970 0.1970 2.4504 2.4504 2.9695 2.9695 3.5632 3.5632 3.9950 3.9950 4.3262 4.3262 4.7802 4.7802 5.1289 5.1289 5.3485 5.3485 5.6671 5.6671 6.1565 6.1565 6.5233 6.5233 7.8711 7.8711 8.2193 8.2193 8.5256 8.5256 8.9854 8.9854 9.2400 9.2400 k = 0.2800-0.0672-0.0744 ( 7334 PWs) bands (ev): -20.9569 -20.9569 -20.9403 -20.9403 -7.6864 -7.6864 -7.6309 -7.6309 -5.7811 -5.7811 -5.7451 -5.7451 -5.6816 -5.6816 -5.5901 -5.5901 -4.4237 -4.4237 -3.0428 -3.0428 -2.3487 -2.3487 -2.0141 -2.0141 -0.9116 -0.9116 0.1958 0.1958 2.4724 2.4724 2.9570 2.9570 3.5897 3.5897 3.9987 3.9987 4.3210 4.3210 4.7535 4.7535 5.1028 5.1028 5.3107 5.3107 5.6587 5.6587 6.1539 6.1539 6.4679 6.4679 7.9451 7.9451 8.2695 8.2695 8.5229 8.5229 8.9632 8.9632 9.1742 9.1742 k = 0.3000-0.0720-0.0797 ( 7334 PWs) bands (ev): -20.9567 -20.9567 -20.9404 -20.9404 -7.6857 -7.6857 -7.6328 -7.6328 -5.7839 -5.7839 -5.7480 -5.7480 -5.6820 -5.6820 -5.5917 -5.5917 -4.3944 -4.3944 -3.0853 -3.0853 -2.3502 -2.3502 -2.0136 -2.0136 -0.8680 -0.8680 0.1945 0.1945 2.4952 2.4952 2.9426 2.9426 3.6192 3.6192 4.0016 4.0016 4.3149 4.3149 4.7311 4.7311 5.0738 5.0738 5.2737 5.2737 5.6435 5.6435 6.1532 6.1532 6.4268 6.4268 8.0074 8.0074 8.2964 8.2964 8.5401 8.5401 8.9525 8.9525 9.1064 9.1064 k = 0.3200-0.0768-0.0851 ( 7332 PWs) bands (ev): -20.9566 -20.9566 -20.9406 -20.9406 -7.6849 -7.6849 -7.6346 -7.6346 -5.7868 -5.7868 -5.7509 -5.7509 -5.6821 -5.6821 -5.5932 -5.5932 -4.3652 -4.3652 -3.1270 -3.1270 -2.3513 -2.3513 -2.0125 -2.0125 -0.8272 -0.8272 0.1931 0.1931 2.5186 2.5186 2.9267 2.9267 3.6506 3.6506 4.0042 4.0042 4.3085 4.3085 4.7127 4.7127 5.0418 5.0418 5.2382 5.2382 5.6217 5.6217 6.1550 6.1550 6.3996 6.3996 8.0530 8.0530 8.2979 8.2979 8.5848 8.5848 8.9443 8.9443 9.0439 9.0439 k = 0.3400-0.0816-0.0904 ( 7341 PWs) bands (ev): -20.9564 -20.9564 -20.9408 -20.9408 -7.6842 -7.6842 -7.6365 -7.6365 -5.7896 -5.7896 -5.7536 -5.7536 -5.6819 -5.6819 -5.5945 -5.5945 -4.3364 -4.3364 -3.1673 -3.1673 -2.3521 -2.3521 -2.0110 -2.0110 -0.7895 -0.7895 0.1917 0.1917 2.5424 2.5424 2.9095 2.9095 3.6827 3.6827 4.0066 4.0066 4.3027 4.3027 4.6976 4.6976 5.0069 5.0069 5.2043 5.2043 5.5951 5.5951 6.1601 6.1601 6.3838 6.3838 8.0772 8.0772 8.2914 8.2914 8.6390 8.6390 8.9204 8.9204 9.0127 9.0127 k = 0.3600-0.0865-0.0957 ( 7336 PWs) bands (ev): -20.9562 -20.9562 -20.9409 -20.9409 -7.6835 -7.6835 -7.6382 -7.6382 -5.7923 -5.7923 -5.7561 -5.7561 -5.6815 -5.6815 -5.5957 -5.5957 -4.3086 -4.3086 -3.2056 -3.2056 -2.3527 -2.3527 -2.0093 -2.0093 -0.7552 -0.7552 0.1902 0.1902 2.5664 2.5664 2.8914 2.8914 3.7146 3.7146 4.0089 4.0089 4.2991 4.2991 4.6851 4.6851 4.9696 4.9696 5.1720 5.1720 5.5665 5.5665 6.1684 6.1684 6.3764 6.3764 8.0795 8.0795 8.2908 8.2908 8.6675 8.6675 8.8988 8.8988 9.0199 9.0199 k = 0.3800-0.0913-0.1010 ( 7333 PWs) bands (ev): -20.9561 -20.9561 -20.9411 -20.9411 -7.6827 -7.6827 -7.6398 -7.6398 -5.7948 -5.7948 -5.7583 -5.7583 -5.6810 -5.6810 -5.5967 -5.5967 -4.2824 -4.2824 -3.2411 -3.2411 -2.3531 -2.3531 -2.0075 -2.0075 -0.7247 -0.7247 0.1888 0.1888 2.5906 2.5906 2.8725 2.8725 3.7449 3.7449 4.0104 4.0104 4.2996 4.2996 4.6740 4.6740 4.9307 4.9307 5.1415 5.1415 5.5389 5.5389 6.1798 6.1798 6.3742 6.3742 8.0681 8.0681 8.2961 8.2961 8.6395 8.6395 8.9243 8.9243 9.0473 9.0473 k = 0.4000-0.0961-0.1063 ( 7326 PWs) bands (ev): -20.9560 -20.9560 -20.9412 -20.9412 -7.6820 -7.6820 -7.6413 -7.6413 -5.7971 -5.7971 -5.7602 -5.7602 -5.6805 -5.6805 -5.5976 -5.5976 -4.2583 -4.2583 -3.2732 -3.2732 -2.3533 -2.3533 -2.0058 -2.0058 -0.6984 -0.6984 0.1874 0.1874 2.6145 2.6145 2.8530 2.8530 3.7729 3.7729 4.0102 4.0102 4.3061 4.3061 4.6631 4.6631 4.8915 4.8915 5.1133 5.1133 5.5144 5.5144 6.1934 6.1934 6.3745 6.3745 8.0532 8.0532 8.3022 8.3022 8.5776 8.5776 8.9738 8.9738 9.0919 9.0919 k = 0.4200-0.1009-0.1116 ( 7333 PWs) bands (ev): -20.9559 -20.9559 -20.9413 -20.9413 -7.6814 -7.6814 -7.6426 -7.6426 -5.7990 -5.7990 -5.7618 -5.7618 -5.6800 -5.6800 -5.5984 -5.5984 -4.2370 -4.2370 -3.3011 -3.3011 -2.3534 -2.3534 -2.0043 -2.0043 -0.6763 -0.6763 0.1862 0.1862 2.6382 2.6382 2.8331 2.8331 3.7979 3.7979 4.0074 4.0074 4.3198 4.3198 4.6506 4.6506 4.8542 4.8542 5.0885 5.0885 5.4943 5.4943 6.2080 6.2080 6.3753 6.3753 8.0417 8.0417 8.3062 8.3062 8.5091 8.5091 9.0169 9.0169 9.1534 9.1534 k = 0.4400-0.1057-0.1170 ( 7333 PWs) bands (ev): -20.9558 -20.9558 -20.9414 -20.9414 -7.6809 -7.6809 -7.6436 -7.6436 -5.8006 -5.8006 -5.7631 -5.7631 -5.6796 -5.6796 -5.5990 -5.5990 -4.2195 -4.2195 -3.3240 -3.3240 -2.3535 -2.3535 -2.0030 -2.0030 -0.6589 -0.6589 0.1852 0.1852 2.6612 2.6612 2.8131 2.8131 3.8193 3.8193 4.0020 4.0020 4.3400 4.3400 4.6350 4.6350 4.8218 4.8218 5.0681 5.0681 5.4790 5.4790 6.2223 6.2223 6.3754 6.3754 8.0361 8.0361 8.3072 8.3072 8.4460 8.4460 9.0479 9.0479 9.2217 9.2217 k = 0.4600-0.1105-0.1223 ( 7333 PWs) bands (ev): -20.9557 -20.9557 -20.9414 -20.9414 -7.6805 -7.6805 -7.6444 -7.6444 -5.8017 -5.8017 -5.7640 -5.7640 -5.6793 -5.6793 -5.5994 -5.5994 -4.2062 -4.2062 -3.3410 -3.3410 -2.3535 -2.3535 -2.0021 -2.0021 -0.6464 -0.6464 0.1844 0.1844 2.6827 2.6827 2.7937 2.7937 3.8364 3.8364 3.9952 3.9952 4.3638 4.3638 4.6163 4.6163 4.7974 4.7974 5.0529 5.0529 5.4685 5.4685 6.2347 6.2347 6.3747 6.3747 8.0363 8.0363 8.3048 8.3048 8.3960 8.3960 9.0691 9.0691 9.2825 9.2825 k = 0.4800-0.1153-0.1276 ( 7341 PWs) bands (ev): -20.9557 -20.9557 -20.9415 -20.9415 -7.6802 -7.6802 -7.6449 -7.6449 -5.8024 -5.8024 -5.7645 -5.7645 -5.6791 -5.6791 -5.5997 -5.5997 -4.1980 -4.1980 -3.3515 -3.3515 -2.3535 -2.3535 -2.0015 -2.0015 -0.6387 -0.6387 0.1839 0.1839 2.7006 2.7006 2.7770 2.7770 3.8479 3.8479 3.9893 3.9893 4.3847 4.3847 4.5987 4.5987 4.7829 4.7829 5.0436 5.0436 5.4623 5.4623 6.2433 6.2433 6.3736 6.3736 8.0393 8.0393 8.2994 8.2994 8.3657 8.3657 9.0815 9.0815 9.3234 9.3234 k = 0.5000-0.1201-0.1329 ( 7342 PWs) bands (ev): -20.9556 -20.9556 -20.9415 -20.9415 -7.6801 -7.6801 -7.6451 -7.6451 -5.8027 -5.8027 -5.7647 -5.7647 -5.6790 -5.6790 -5.5998 -5.5998 -4.1952 -4.1952 -3.3550 -3.3550 -2.3535 -2.3535 -2.0013 -2.0013 -0.6362 -0.6362 0.1838 0.1838 2.7088 2.7088 2.7692 2.7692 3.8520 3.8520 3.9869 3.9869 4.3935 4.3935 4.5910 4.5910 4.7781 4.7781 5.0405 5.0405 5.4603 5.4603 6.2464 6.2464 6.3731 6.3731 8.0411 8.0411 8.2958 8.2958 8.3563 8.3563 9.0857 9.0857 9.3377 9.3377 k = 0.5000-0.1201 0.4432 ( 7334 PWs) bands (ev): -20.9529 -20.9529 -20.9439 -20.9439 -7.6772 -7.6772 -7.6610 -7.6610 -5.8267 -5.8267 -5.7917 -5.7917 -5.6654 -5.6654 -5.5886 -5.5886 -3.9239 -3.9239 -3.5448 -3.5448 -2.4279 -2.4279 -2.0868 -2.0868 -0.7448 -0.7448 0.0164 0.0164 2.8580 2.8580 3.4598 3.4598 4.1237 4.1237 4.1459 4.1459 4.4884 4.4884 4.5209 4.5209 4.9018 4.9018 5.3591 5.3591 5.5523 5.5523 6.0452 6.0452 6.3068 6.3068 7.8535 7.8535 8.2065 8.2065 8.3329 8.3329 8.8948 8.8948 8.9549 8.9549 k = 0.4839-0.1162 0.4289 ( 7339 PWs) bands (ev): -20.9529 -20.9529 -20.9439 -20.9439 -7.6773 -7.6773 -7.6609 -7.6609 -5.8265 -5.8265 -5.7916 -5.7916 -5.6656 -5.6656 -5.5885 -5.5885 -3.9280 -3.9280 -3.5404 -3.5404 -2.4283 -2.4283 -2.0864 -2.0864 -0.7454 -0.7454 0.0164 0.0164 2.8583 2.8583 3.4593 3.4593 4.0716 4.0716 4.1951 4.1951 4.4714 4.4714 4.5405 4.5405 4.8974 4.8974 5.3616 5.3616 5.5470 5.5470 6.0443 6.0443 6.3180 6.3180 7.8512 7.8512 8.2084 8.2084 8.3351 8.3351 8.8844 8.8844 8.9666 8.9666 k = 0.4677-0.1123 0.4146 ( 7338 PWs) bands (ev): -20.9530 -20.9530 -20.9438 -20.9438 -7.6775 -7.6775 -7.6604 -7.6604 -5.8258 -5.8258 -5.7910 -5.7910 -5.6663 -5.6663 -5.5883 -5.5883 -3.9397 -3.9397 -3.5276 -3.5276 -2.4297 -2.4297 -2.0852 -2.0852 -0.7471 -0.7471 0.0165 0.0165 2.8594 2.8594 3.4577 3.4577 4.0087 4.0087 4.2483 4.2483 4.4493 4.4493 4.5702 4.5702 4.8866 4.8866 5.3667 5.3667 5.5338 5.5338 6.0420 6.0420 6.3494 6.3494 7.8445 7.8445 8.2141 8.2141 8.3420 8.3420 8.8641 8.8641 8.9904 8.9904 k = 0.4516-0.1085 0.4003 ( 7347 PWs) bands (ev): -20.9531 -20.9531 -20.9437 -20.9437 -7.6778 -7.6778 -7.6597 -7.6597 -5.8248 -5.8248 -5.7901 -5.7901 -5.6673 -5.6673 -5.5879 -5.5879 -3.9579 -3.9579 -3.5077 -3.5077 -2.4318 -2.4318 -2.0832 -2.0832 -0.7501 -0.7501 0.0168 0.0168 2.8611 2.8611 3.4547 3.4547 3.9458 3.9458 4.2907 4.2907 4.4357 4.4357 4.5964 4.5964 4.8764 4.8764 5.3673 5.3673 5.5212 5.5212 6.0388 6.0388 6.3956 6.3956 7.8349 7.8349 8.2231 8.2231 8.3538 8.3538 8.8431 8.8431 9.0169 9.0169 k = 0.4355-0.1046 0.3860 ( 7343 PWs) bands (ev): -20.9532 -20.9532 -20.9436 -20.9436 -7.6782 -7.6782 -7.6587 -7.6587 -5.8233 -5.8233 -5.7889 -5.7889 -5.6687 -5.6687 -5.5873 -5.5873 -3.9810 -3.9810 -3.4822 -3.4822 -2.4346 -2.4346 -2.0804 -2.0804 -0.7544 -0.7544 0.0173 0.0173 2.8634 2.8634 3.4495 3.4495 3.8846 3.8846 4.3122 4.3122 4.4400 4.4400 4.6118 4.6118 4.8762 4.8762 5.3555 5.3555 5.5190 5.5190 6.0354 6.0354 6.4506 6.4506 7.8242 7.8242 8.2350 8.2350 8.3708 8.3708 8.8241 8.8241 9.0419 9.0419 k = 0.4194-0.1007 0.3717 ( 7336 PWs) bands (ev): -20.9534 -20.9534 -20.9434 -20.9434 -7.6788 -7.6788 -7.6575 -7.6575 -5.8214 -5.8214 -5.7873 -5.7873 -5.6705 -5.6705 -5.5866 -5.5866 -4.0077 -4.0077 -3.4525 -3.4525 -2.4380 -2.4380 -2.0770 -2.0770 -0.7605 -0.7605 0.0182 0.0182 2.8661 2.8661 3.4412 3.4412 3.8265 3.8265 4.3097 4.3097 4.4620 4.4620 4.6138 4.6138 4.8931 4.8931 5.3311 5.3311 5.5291 5.5291 6.0317 6.0317 6.5088 6.5088 7.8151 7.8151 8.2500 8.2500 8.3922 8.3922 8.8093 8.8093 9.0615 9.0615 k = 0.4032-0.0968 0.3574 ( 7339 PWs) bands (ev): -20.9536 -20.9536 -20.9432 -20.9432 -7.6793 -7.6793 -7.6561 -7.6561 -5.8191 -5.8191 -5.7853 -5.7853 -5.6725 -5.6725 -5.5858 -5.5858 -4.0370 -4.0370 -3.4195 -3.4195 -2.4416 -2.4416 -2.0730 -2.0730 -0.7684 -0.7684 0.0196 0.0196 2.8692 2.8692 3.4284 3.4284 3.7734 3.7734 4.2939 4.2939 4.4838 4.4838 4.6119 4.6119 4.9252 4.9252 5.3011 5.3011 5.5468 5.5468 6.0278 6.0278 6.5653 6.5653 7.8106 7.8106 8.2677 8.2677 8.4167 8.4167 8.8007 8.8007 9.0702 9.0702 k = 0.3871-0.0930 0.3431 ( 7343 PWs) bands (ev): -20.9538 -20.9538 -20.9430 -20.9430 -7.6799 -7.6799 -7.6545 -7.6545 -5.8164 -5.8164 -5.7830 -5.7830 -5.6748 -5.6748 -5.5850 -5.5850 -4.0681 -4.0681 -3.3840 -3.3840 -2.4454 -2.4454 -2.0684 -2.0684 -0.7785 -0.7785 0.0217 0.0217 2.8724 2.8724 3.4094 3.4094 3.7269 3.7269 4.2723 4.2723 4.4860 4.4860 4.6243 4.6243 4.9654 4.9654 5.2727 5.2727 5.5675 5.5675 6.0239 6.0239 6.6160 6.6160 7.8139 7.8139 8.2875 8.2875 8.4428 8.4428 8.8006 8.8006 9.0603 9.0603 k = 0.3710-0.0891 0.3288 ( 7344 PWs) bands (ev): -20.9541 -20.9541 -20.9428 -20.9428 -7.6805 -7.6805 -7.6528 -7.6528 -5.8133 -5.8133 -5.7804 -5.7804 -5.6774 -5.6774 -5.5841 -5.5841 -4.1005 -4.1005 -3.3466 -3.3466 -2.4492 -2.4492 -2.0635 -2.0635 -0.7910 -0.7910 0.0247 0.0247 2.8754 2.8754 3.3832 3.3832 3.6880 3.6880 4.2478 4.2478 4.4676 4.4676 4.6544 4.6544 5.0058 5.0058 5.2517 5.2517 5.5889 5.5889 6.0201 6.0201 6.6580 6.6580 7.8273 7.8273 8.3068 8.3068 8.4702 8.4702 8.8106 8.8106 9.0262 9.0262 k = 0.3548-0.0852 0.3145 ( 7338 PWs) bands (ev): -20.9543 -20.9543 -20.9425 -20.9425 -7.6812 -7.6812 -7.6509 -7.6509 -5.8100 -5.8100 -5.7774 -5.7774 -5.6801 -5.6801 -5.5832 -5.5832 -4.1338 -4.1338 -3.3078 -3.3078 -2.4525 -2.4525 -2.0582 -2.0582 -0.8062 -0.8062 0.0286 0.0286 2.8779 2.8779 3.3498 3.3498 3.6568 3.6568 4.2216 4.2216 4.4405 4.4405 4.6924 4.6924 5.0396 5.0396 5.2439 5.2439 5.6097 5.6097 6.0170 6.0170 6.6899 6.6899 7.8514 7.8514 8.3215 8.3215 8.5004 8.5004 8.8282 8.8282 8.9741 8.9741 k = 0.3387-0.0813 0.3002 ( 7342 PWs) bands (ev): -20.9546 -20.9546 -20.9423 -20.9423 -7.6818 -7.6818 -7.6489 -7.6489 -5.8064 -5.8064 -5.7741 -5.7741 -5.6829 -5.6829 -5.5822 -5.5822 -4.1677 -4.1677 -3.2678 -3.2678 -2.4554 -2.4554 -2.0526 -2.0526 -0.8243 -0.8243 0.0336 0.0336 2.8795 2.8795 3.3104 3.3104 3.6319 3.6319 4.1947 4.1947 4.4118 4.4118 4.7317 4.7317 5.0623 5.0623 5.2526 5.2526 5.6297 5.6297 6.0148 6.0148 6.7123 6.7123 7.8847 7.8847 8.3275 8.3275 8.5349 8.5349 8.8330 8.8330 8.9360 8.9360 k = 0.3226-0.0775 0.2859 ( 7347 PWs) bands (ev): -20.9549 -20.9549 -20.9420 -20.9420 -7.6825 -7.6825 -7.6468 -7.6468 -5.8026 -5.8026 -5.7704 -5.7704 -5.6858 -5.6858 -5.5813 -5.5813 -4.2020 -4.2020 -3.2269 -3.2269 -2.4575 -2.4575 -2.0467 -2.0467 -0.8453 -0.8453 0.0397 0.0397 2.8792 2.8792 3.2675 3.2675 3.6113 3.6113 4.1680 4.1680 4.3843 4.3843 4.7693 4.7693 5.0760 5.0760 5.2753 5.2753 5.6485 5.6485 6.0145 6.0145 6.7273 6.7273 7.9230 7.9230 8.3235 8.3235 8.5672 8.5672 8.7987 8.7987 8.9557 8.9557 k = 0.3065-0.0736 0.2716 ( 7341 PWs) bands (ev): -20.9552 -20.9552 -20.9418 -20.9418 -7.6832 -7.6832 -7.6447 -7.6447 -5.7986 -5.7986 -5.7662 -5.7662 -5.6887 -5.6887 -5.5803 -5.5803 -4.2365 -4.2365 -3.1855 -3.1855 -2.4587 -2.4587 -2.0406 -2.0406 -0.8694 -0.8694 0.0469 0.0469 2.8762 2.8762 3.2236 3.2236 3.5930 3.5930 4.1424 4.1424 4.3594 4.3594 4.8032 4.8032 5.0867 5.0867 5.3051 5.3051 5.6659 5.6659 6.0165 6.0165 6.7381 6.7381 7.9594 7.9594 8.3105 8.3105 8.5727 8.5727 8.7851 8.7851 9.0051 9.0051 k = 0.2903-0.0697 0.2573 ( 7342 PWs) bands (ev): -20.9554 -20.9554 -20.9415 -20.9415 -7.6838 -7.6838 -7.6425 -7.6425 -5.7947 -5.7947 -5.7617 -5.7617 -5.6916 -5.6916 -5.5794 -5.5794 -4.2709 -4.2709 -3.1438 -3.1438 -2.4588 -2.4588 -2.0342 -2.0342 -0.8964 -0.8964 0.0550 0.0550 2.8689 2.8689 3.1815 3.1815 3.5757 3.5757 4.1182 4.1182 4.3379 4.3379 4.8330 4.8330 5.0987 5.0987 5.3366 5.3366 5.6816 5.6816 6.0217 6.0217 6.7480 6.7480 7.9849 7.9849 8.2879 8.2879 8.5438 8.5438 8.8271 8.8271 9.0639 9.0639 k = 0.2742-0.0658 0.2431 ( 7339 PWs) bands (ev): -20.9557 -20.9557 -20.9412 -20.9412 -7.6845 -7.6845 -7.6402 -7.6402 -5.7907 -5.7907 -5.7567 -5.7567 -5.6945 -5.6945 -5.5784 -5.5784 -4.3052 -4.3052 -3.1021 -3.1021 -2.4575 -2.4575 -2.0277 -2.0277 -0.9264 -0.9264 0.0641 0.0641 2.8553 2.8553 3.1439 3.1439 3.5588 3.5588 4.0953 4.0953 4.3205 4.3205 4.8587 4.8587 5.1131 5.1131 5.3676 5.3676 5.6948 5.6948 6.0303 6.0303 6.7604 6.7604 7.9907 7.9907 8.2499 8.2499 8.5197 8.5197 8.9021 8.9021 9.1249 9.1249 k = 0.2581-0.0620 0.2288 ( 7341 PWs) bands (ev): -20.9560 -20.9560 -20.9410 -20.9410 -7.6851 -7.6851 -7.6379 -7.6379 -5.7870 -5.7870 -5.7513 -5.7513 -5.6972 -5.6972 -5.5775 -5.5775 -4.3391 -4.3391 -3.0606 -3.0606 -2.4549 -2.4549 -2.0209 -2.0209 -0.9591 -0.9591 0.0739 0.0739 2.8338 2.8338 3.1131 3.1131 3.5423 3.5423 4.0733 4.0733 4.3077 4.3077 4.8815 4.8815 5.1287 5.1287 5.3977 5.3977 5.7050 5.7050 6.0422 6.0422 6.7778 6.7778 7.9725 7.9725 8.1946 8.1946 8.5230 8.5230 8.9911 8.9911 9.1807 9.1807 k = 0.2419-0.0581 0.2145 ( 7343 PWs) bands (ev): -20.9563 -20.9563 -20.9407 -20.9407 -7.6858 -7.6858 -7.6356 -7.6356 -5.7834 -5.7834 -5.7455 -5.7455 -5.6997 -5.6997 -5.5765 -5.5765 -4.3725 -4.3725 -3.0196 -3.0196 -2.4508 -2.4508 -2.0138 -2.0138 -0.9943 -0.9943 0.0843 0.0843 2.8036 2.8036 3.0899 3.0899 3.5266 3.5266 4.0518 4.0518 4.2997 4.2997 4.9025 4.9025 5.1438 5.1438 5.4270 5.4270 5.7120 5.7120 6.0568 6.0568 6.8021 6.8021 7.9310 7.9310 8.1311 8.1311 8.5474 8.5474 9.0822 9.0822 9.2219 9.2219 k = 0.2258-0.0542 0.2002 ( 7342 PWs) bands (ev): -20.9565 -20.9565 -20.9405 -20.9405 -7.6864 -7.6864 -7.6334 -7.6334 -5.7801 -5.7801 -5.7396 -5.7396 -5.7019 -5.7019 -5.5756 -5.5756 -4.4052 -4.4052 -2.9796 -2.9796 -2.4450 -2.4450 -2.0065 -2.0065 -1.0317 -1.0317 0.0951 0.0951 2.7658 2.7658 3.0736 3.0736 3.5124 3.5124 4.0306 4.0306 4.2963 4.2963 4.9228 4.9228 5.1576 5.1576 5.4555 5.4555 5.7161 5.7161 6.0732 6.0732 6.8343 6.8343 7.8697 7.8697 8.0698 8.0698 8.5783 8.5783 9.1531 9.1531 9.2638 9.2638 k = 0.2097-0.0504 0.1859 ( 7337 PWs) bands (ev): -20.9568 -20.9568 -20.9403 -20.9403 -7.6870 -7.6870 -7.6311 -7.6311 -5.7770 -5.7770 -5.7337 -5.7337 -5.7034 -5.7034 -5.5746 -5.5746 -4.4370 -4.4370 -2.9408 -2.9408 -2.4376 -2.4376 -1.9988 -1.9988 -1.0709 -1.0709 0.1062 0.1062 2.7222 2.7222 3.0622 3.0622 3.5004 3.5004 4.0100 4.0100 4.2967 4.2967 4.9430 4.9430 5.1700 5.1700 5.4824 5.4824 5.7181 5.7181 6.0902 6.0902 6.8747 6.8747 7.7946 7.7946 8.0148 8.0148 8.6027 8.6027 9.1857 9.1857 9.3393 9.3393 k = 0.1935-0.0465 0.1716 ( 7340 PWs) bands (ev): -20.9570 -20.9570 -20.9401 -20.9401 -7.6876 -7.6876 -7.6290 -7.6290 -5.7742 -5.7742 -5.7284 -5.7284 -5.7040 -5.7040 -5.5737 -5.5737 -4.4677 -4.4677 -2.9035 -2.9035 -2.4286 -2.4286 -1.9907 -1.9907 -1.1117 -1.1117 0.1174 0.1174 2.6753 2.6753 3.0536 3.0536 3.4912 3.4912 3.9902 3.9902 4.2999 4.2999 4.9634 4.9634 5.1817 5.1817 5.5064 5.5064 5.7190 5.7190 6.1072 6.1072 6.9226 6.9226 7.7124 7.7124 7.9660 7.9660 8.6116 8.6116 9.2109 9.2109 9.4251 9.4251 k = 0.1774-0.0426 0.1573 ( 7338 PWs) bands (ev): -20.9572 -20.9572 -20.9399 -20.9399 -7.6881 -7.6881 -7.6269 -7.6269 -5.7718 -5.7718 -5.7245 -5.7245 -5.7029 -5.7029 -5.5727 -5.5727 -4.4972 -4.4972 -2.8682 -2.8682 -2.4180 -2.4180 -1.9821 -1.9821 -1.1536 -1.1536 0.1285 0.1285 2.6268 2.6268 3.0461 3.0461 3.4854 3.4854 3.9717 3.9717 4.3048 4.3048 4.9843 4.9843 5.1939 5.1939 5.5259 5.5259 5.7196 5.7196 6.1237 6.1237 6.9771 6.9771 7.6280 7.6280 7.9227 7.9227 8.6012 8.6012 9.2474 9.2474 9.4989 9.4989 k = 0.1613-0.0387 0.1430 ( 7334 PWs) bands (ev): -20.9574 -20.9574 -20.9397 -20.9397 -7.6886 -7.6886 -7.6249 -7.6249 -5.7696 -5.7696 -5.7226 -5.7226 -5.6996 -5.6996 -5.5716 -5.5716 -4.5253 -4.5253 -2.8351 -2.8351 -2.4061 -2.4061 -1.9729 -1.9729 -1.1962 -1.1962 0.1394 0.1394 2.5784 2.5784 3.0388 3.0388 3.4829 3.4829 3.9547 3.9547 4.3104 4.3104 5.0057 5.0057 5.2073 5.2073 5.5395 5.5395 5.7207 5.7207 6.1392 6.1392 7.0368 7.0368 7.5452 7.5452 7.8847 7.8847 8.5728 8.5728 9.2969 9.2969 9.5567 9.5567 k = 0.1452-0.0349 0.1287 ( 7328 PWs) bands (ev): -20.9576 -20.9576 -20.9395 -20.9395 -7.6891 -7.6891 -7.6230 -7.6230 -5.7677 -5.7677 -5.7221 -5.7221 -5.6946 -5.6946 -5.5706 -5.5706 -4.5516 -4.5516 -2.8046 -2.8046 -2.3930 -2.3930 -1.9630 -1.9630 -1.2390 -1.2390 0.1498 0.1498 2.5312 2.5312 3.0309 3.0309 3.4837 3.4837 3.9396 3.9396 4.3159 4.3159 5.0278 5.0278 5.2226 5.2226 5.5467 5.5467 5.7222 5.7222 6.1536 6.1536 7.0998 7.0998 7.4666 7.4666 7.8520 7.8520 8.5309 8.5309 9.3554 9.3554 9.6050 9.6050 k = 0.1290-0.0310 0.1144 ( 7323 PWs) bands (ev): -20.9578 -20.9578 -20.9393 -20.9393 -7.6896 -7.6896 -7.6213 -7.6213 -5.7662 -5.7662 -5.7225 -5.7225 -5.6889 -5.6889 -5.5694 -5.5694 -4.5760 -4.5760 -2.7769 -2.7769 -2.3791 -2.3791 -1.9523 -1.9523 -1.2814 -1.2814 0.1598 0.1598 2.4863 2.4863 3.0226 3.0226 3.4873 3.4873 3.9265 3.9265 4.3207 4.3207 5.0509 5.0509 5.2396 5.2396 5.5477 5.5477 5.7238 5.7238 6.1667 6.1667 7.1627 7.1627 7.3957 7.3957 7.8247 7.8247 8.4798 8.4798 9.4179 9.4179 9.6489 9.6489 k = 0.1129-0.0271 0.1001 ( 7329 PWs) bands (ev): -20.9579 -20.9579 -20.9392 -20.9392 -7.6900 -7.6900 -7.6197 -7.6197 -5.7649 -5.7649 -5.7231 -5.7231 -5.6832 -5.6832 -5.5683 -5.5683 -4.5983 -4.5983 -2.7522 -2.7522 -2.3649 -2.3649 -1.9409 -1.9409 -1.3229 -1.3229 0.1690 0.1690 2.4445 2.4445 3.0139 3.0139 3.4931 3.4931 3.9155 3.9155 4.3246 4.3246 5.0751 5.0751 5.2579 5.2579 5.5434 5.5434 5.7245 5.7245 6.1784 6.1784 7.2151 7.2151 7.3429 7.3429 7.8027 7.8027 8.4233 8.4233 9.4802 9.4802 9.6906 9.6906 k = 0.0968-0.0232 0.0858 ( 7332 PWs) bands (ev): -20.9581 -20.9581 -20.9391 -20.9391 -7.6903 -7.6903 -7.6183 -7.6183 -5.7638 -5.7638 -5.7237 -5.7237 -5.6777 -5.6777 -5.5672 -5.5672 -4.6182 -4.6182 -2.7308 -2.7308 -2.3509 -2.3509 -1.9287 -1.9287 -1.3628 -1.3628 0.1774 0.1774 2.4065 2.4065 3.0052 3.0052 3.5002 3.5002 3.9065 3.9065 4.3273 4.3273 5.1004 5.1004 5.2766 5.2766 5.5349 5.5349 5.7239 5.7239 6.1886 6.1886 7.2181 7.2181 7.3466 7.3466 7.7855 7.7855 8.3644 8.3644 9.5395 9.5395 9.7305 9.7305 k = 0.0806-0.0194 0.0715 ( 7335 PWs) bands (ev): -20.9582 -20.9582 -20.9390 -20.9390 -7.6906 -7.6906 -7.6171 -7.6171 -5.7630 -5.7630 -5.7243 -5.7243 -5.6727 -5.6727 -5.5661 -5.5661 -4.6355 -4.6355 -2.7126 -2.7126 -2.3377 -2.3377 -1.9160 -1.9160 -1.4002 -1.4002 0.1849 0.1849 2.3732 2.3732 2.9969 2.9969 3.5078 3.5078 3.8993 3.8993 4.3290 4.3290 5.1264 5.1264 5.2947 5.2947 5.5233 5.5233 5.7219 5.7219 6.1971 6.1971 7.1792 7.1792 7.3989 7.3989 7.7724 7.7724 8.3055 8.3055 9.5941 9.5941 9.7681 9.7681 k = 0.0645-0.0155 0.0572 ( 7335 PWs) bands (ev): -20.9583 -20.9583 -20.9389 -20.9389 -7.6909 -7.6909 -7.6161 -7.6161 -5.7624 -5.7624 -5.7248 -5.7248 -5.6684 -5.6684 -5.5651 -5.5651 -4.6500 -4.6500 -2.6977 -2.6977 -2.3259 -2.3259 -1.9032 -1.9032 -1.4340 -1.4340 0.1912 0.1912 2.3450 2.3450 2.9895 2.9895 3.5151 3.5151 3.8938 3.8938 4.3300 4.3300 5.1524 5.1524 5.3110 5.3110 5.5099 5.5099 5.7189 5.7189 6.2039 6.2039 7.1380 7.1380 7.4591 7.4591 7.7623 7.7623 8.2491 8.2491 9.6435 9.6435 9.8016 9.8016 k = 0.0484-0.0116 0.0429 ( 7335 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6911 -7.6911 -7.6153 -7.6153 -5.7620 -5.7620 -5.7252 -5.7252 -5.6650 -5.6650 -5.5642 -5.5642 -4.6615 -4.6615 -2.6861 -2.6861 -2.3162 -2.3162 -1.8912 -1.8912 -1.4630 -1.4630 0.1963 0.1963 2.3225 2.3225 2.9833 2.9833 3.5215 3.5215 3.8899 3.8899 4.3304 4.3304 5.1769 5.1769 5.3242 5.3242 5.4961 5.4961 5.7155 5.7155 6.2090 6.2090 7.1036 7.1036 7.5167 7.5167 7.7538 7.7538 8.1980 8.1980 9.6876 9.6876 9.8286 9.8286 k = 0.0323-0.0077 0.0286 ( 7332 PWs) bands (ev): -20.9584 -20.9584 -20.9388 -20.9388 -7.6912 -7.6912 -7.6148 -7.6148 -5.7617 -5.7617 -5.7254 -5.7254 -5.6625 -5.6625 -5.5635 -5.5635 -4.6699 -4.6699 -2.6779 -2.6779 -2.3088 -2.3088 -1.8810 -1.8810 -1.4855 -1.4855 0.2000 0.2000 2.3061 2.3061 2.9787 2.9787 3.5265 3.5265 3.8872 3.8872 4.3305 4.3305 5.1981 5.1981 5.3333 5.3333 5.4839 5.4839 5.7125 5.7125 6.2124 6.2124 7.0782 7.0782 7.5666 7.5666 7.7458 7.7458 8.1559 8.1559 9.7253 9.7253 9.8465 9.8465 k = 0.0161-0.0039 0.0143 ( 7328 PWs) bands (ev): -20.9584 -20.9584 -20.9387 -20.9387 -7.6913 -7.6913 -7.6144 -7.6144 -5.7615 -5.7615 -5.7256 -5.7256 -5.6610 -5.6610 -5.5631 -5.5631 -4.6749 -4.6749 -2.6729 -2.6729 -2.3043 -2.3043 -1.8741 -1.8741 -1.4999 -1.4999 0.2022 0.2022 2.2961 2.2961 2.9758 2.9758 3.5296 3.5296 3.8857 3.8857 4.3305 4.3305 5.2130 5.2130 5.3381 5.3381 5.4755 5.4755 5.7103 5.7103 6.2144 6.2144 7.0627 7.0627 7.6029 7.6029 7.7383 7.7383 8.1275 8.1275 9.7530 9.7530 9.8544 9.8544 k = 0.0000 0.0000 0.0000 ( 7329 PWs) bands (ev): -20.9585 -20.9585 -20.9387 -20.9387 -7.6913 -7.6913 -7.6143 -7.6143 -5.7615 -5.7615 -5.7256 -5.7256 -5.6605 -5.6605 -5.5630 -5.5630 -4.6766 -4.6766 -2.6713 -2.6713 -2.3028 -2.3028 -1.8717 -1.8717 -1.5049 -1.5049 0.2030 0.2030 2.2928 2.2928 2.9748 2.9748 3.5307 3.5307 3.8852 3.8852 4.3305 4.3305 5.2185 5.2185 5.3395 5.3395 5.4724 5.4724 5.7096 5.7096 6.2151 6.2151 7.0575 7.0575 7.6169 7.6169 7.7346 7.7346 8.1173 8.1173 9.7638 9.7638 9.8557 9.8557 Writing output data file BaSb3.save init_run : 0.38s CPU 0.50s WALL ( 1 calls) electrons : 362.28s CPU 366.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 362.28s CPU 366.19s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 227 calls) cegterg : 341.33s CPU 344.58s WALL ( 494 calls) Called by sum_band: Called by *egterg: h_psi : 173.81s CPU 176.92s WALL ( 8594 calls) s_psi : 11.27s CPU 11.12s WALL ( 8594 calls) g_psi : 0.18s CPU 0.22s WALL ( 7873 calls) cdiaghg : 141.29s CPU 141.95s WALL ( 8100 calls) cegterg:over : 13.17s CPU 13.01s WALL ( 7873 calls) cegterg:upda : 7.51s CPU 7.56s WALL ( 7873 calls) cegterg:last : 4.74s CPU 4.67s WALL ( 1175 calls) cdiaghg:chol : 5.09s CPU 5.36s WALL ( 8100 calls) cdiaghg:inve : 2.81s CPU 2.98s WALL ( 8100 calls) cdiaghg:para : 9.00s CPU 8.90s WALL ( 16200 calls) Called by h_psi: h_psi:vloc : 148.99s CPU 151.74s WALL ( 8594 calls) h_psi:vnl : 24.58s CPU 24.98s WALL ( 8594 calls) add_vuspsi : 13.00s CPU 13.19s WALL ( 8594 calls) General routines calbec : 11.56s CPU 11.76s WALL ( 8594 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 144.51s CPU 147.30s WALL ( 809364 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.29s WALL ( 454 calls) Parallel routines fft_scatter : 103.16s CPU 105.52s WALL ( 809387 calls) PWSCF : 6m41.41s CPU 7m 1.48s WALL This run was terminated on: 23:57:47 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=