Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:14 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2SbAu.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 58 16 1841 1759 259 Max 61 59 17 1845 1775 263 Sum 2161 2107 583 66299 63615 9377 bravais-lattice index = 14 lattice parameter (alat) = 8.6080 a.u. unit-cell volume = 451.0230 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.608046 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients 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 PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 1.00) Au 11.00 196.96660 Au( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030488 k( 10) = ( 0.0918367 0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 0.0000000 0.1938776), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 -0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461539 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163462 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649039 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 66299 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 63615 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 450, 30) NL pseudopotentials 0.33 Mb ( 225, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1842) G-vector shells 0.00 Mb ( 470) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 450, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 96, 2, 30) The potential is recalculated from file : ./Li2SbAu.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.0 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.7 secs Computing kpt #: 19 total cpu time spent up to now is 12.3 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.5 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.7 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.6 secs Computing kpt #: 27 total cpu time spent up to now is 17.1 secs Computing kpt #: 28 total cpu time spent up to now is 17.8 secs Computing kpt #: 29 total cpu time spent up to now is 18.3 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.1 secs Computing kpt #: 33 total cpu time spent up to now is 20.7 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 21.9 secs Computing kpt #: 36 total cpu time spent up to now is 22.5 secs Computing kpt #: 37 total cpu time spent up to now is 23.1 secs Computing kpt #: 38 total cpu time spent up to now is 23.7 secs Computing kpt #: 39 total cpu time spent up to now is 24.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.9 secs Computing kpt #: 41 total cpu time spent up to now is 25.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.8 secs Computing kpt #: 44 total cpu time spent up to now is 27.4 secs Computing kpt #: 45 total cpu time spent up to now is 28.1 secs Computing kpt #: 46 total cpu time spent up to now is 28.7 secs Computing kpt #: 47 total cpu time spent up to now is 29.3 secs Computing kpt #: 48 total cpu time spent up to now is 29.9 secs Computing kpt #: 49 total cpu time spent up to now is 30.5 secs Computing kpt #: 50 total cpu time spent up to now is 31.1 secs Computing kpt #: 51 total cpu time spent up to now is 31.6 secs Computing kpt #: 52 total cpu time spent up to now is 32.2 secs Computing kpt #: 53 total cpu time spent up to now is 33.0 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.6 secs Computing kpt #: 56 total cpu time spent up to now is 35.2 secs Computing kpt #: 57 total cpu time spent up to now is 35.8 secs Computing kpt #: 58 total cpu time spent up to now is 36.4 secs Computing kpt #: 59 total cpu time spent up to now is 37.1 secs Computing kpt #: 60 total cpu time spent up to now is 37.8 secs Computing kpt #: 61 total cpu time spent up to now is 38.4 secs Computing kpt #: 62 total cpu time spent up to now is 39.0 secs Computing kpt #: 63 total cpu time spent up to now is 39.5 secs Computing kpt #: 64 total cpu time spent up to now is 40.0 secs Computing kpt #: 65 total cpu time spent up to now is 40.6 secs Computing kpt #: 66 total cpu time spent up to now is 41.0 secs Computing kpt #: 67 total cpu time spent up to now is 41.6 secs Computing kpt #: 68 total cpu time spent up to now is 42.0 secs Computing kpt #: 69 total cpu time spent up to now is 42.5 secs Computing kpt #: 70 total cpu time spent up to now is 43.0 secs Computing kpt #: 71 total cpu time spent up to now is 43.4 secs Computing kpt #: 72 total cpu time spent up to now is 43.9 secs Computing kpt #: 73 total cpu time spent up to now is 44.4 secs Computing kpt #: 74 total cpu time spent up to now is 44.9 secs Computing kpt #: 75 total cpu time spent up to now is 45.3 secs Computing kpt #: 76 total cpu time spent up to now is 45.8 secs Computing kpt #: 77 total cpu time spent up to now is 46.3 secs Computing kpt #: 78 total cpu time spent up to now is 46.7 secs Computing kpt #: 79 total cpu time spent up to now is 47.2 secs Computing kpt #: 80 total cpu time spent up to now is 47.6 secs Computing kpt #: 81 total cpu time spent up to now is 48.1 secs Computing kpt #: 82 total cpu time spent up to now is 48.6 secs Computing kpt #: 83 total cpu time spent up to now is 49.1 secs Computing kpt #: 84 total cpu time spent up to now is 49.6 secs Computing kpt #: 85 total cpu time spent up to now is 50.1 secs Computing kpt #: 86 total cpu time spent up to now is 50.6 secs Computing kpt #: 87 total cpu time spent up to now is 51.2 secs Computing kpt #: 88 total cpu time spent up to now is 51.7 secs Computing kpt #: 89 total cpu time spent up to now is 52.3 secs Computing kpt #: 90 total cpu time spent up to now is 53.0 secs Computing kpt #: 91 total cpu time spent up to now is 53.6 secs Computing kpt #: 92 total cpu time spent up to now is 54.2 secs Computing kpt #: 93 total cpu time spent up to now is 54.8 secs Computing kpt #: 94 total cpu time spent up to now is 55.4 secs Computing kpt #: 95 total cpu time spent up to now is 55.9 secs Computing kpt #: 96 total cpu time spent up to now is 56.5 secs Computing kpt #: 97 total cpu time spent up to now is 57.1 secs Computing kpt #: 98 total cpu time spent up to now is 57.7 secs Computing kpt #: 99 total cpu time spent up to now is 58.2 secs Computing kpt #: 100 total cpu time spent up to now is 58.8 secs Computing kpt #: 101 total cpu time spent up to now is 59.4 secs Computing kpt #: 102 total cpu time spent up to now is 60.0 secs Computing kpt #: 103 total cpu time spent up to now is 60.5 secs Computing kpt #: 104 total cpu time spent up to now is 61.1 secs Computing kpt #: 105 total cpu time spent up to now is 61.6 secs Computing kpt #: 106 total cpu time spent up to now is 62.2 secs Computing kpt #: 107 total cpu time spent up to now is 62.8 secs Computing kpt #: 108 total cpu time spent up to now is 63.3 secs Computing kpt #: 109 total cpu time spent up to now is 64.0 secs Computing kpt #: 110 total cpu time spent up to now is 64.6 secs Computing kpt #: 111 total cpu time spent up to now is 65.3 secs Computing kpt #: 112 total cpu time spent up to now is 66.0 secs Computing kpt #: 113 total cpu time spent up to now is 66.7 secs Computing kpt #: 114 total cpu time spent up to now is 67.4 secs Computing kpt #: 115 total cpu time spent up to now is 68.0 secs Computing kpt #: 116 total cpu time spent up to now is 68.7 secs Computing kpt #: 117 total cpu time spent up to now is 69.3 secs Computing kpt #: 118 total cpu time spent up to now is 69.9 secs Computing kpt #: 119 total cpu time spent up to now is 70.5 secs Computing kpt #: 120 total cpu time spent up to now is 71.1 secs Computing kpt #: 121 total cpu time spent up to now is 71.8 secs Computing kpt #: 122 total cpu time spent up to now is 72.5 secs Computing kpt #: 123 total cpu time spent up to now is 73.2 secs Computing kpt #: 124 total cpu time spent up to now is 73.8 secs Computing kpt #: 125 total cpu time spent up to now is 74.5 secs Computing kpt #: 126 total cpu time spent up to now is 75.1 secs Computing kpt #: 127 total cpu time spent up to now is 75.7 secs Computing kpt #: 128 total cpu time spent up to now is 76.5 secs Computing kpt #: 129 total cpu time spent up to now is 77.2 secs Computing kpt #: 130 total cpu time spent up to now is 78.0 secs Computing kpt #: 131 total cpu time spent up to now is 78.6 secs Computing kpt #: 132 total cpu time spent up to now is 79.1 secs Computing kpt #: 133 total cpu time spent up to now is 79.7 secs Computing kpt #: 134 total cpu time spent up to now is 80.3 secs Computing kpt #: 135 total cpu time spent up to now is 80.8 secs Computing kpt #: 136 total cpu time spent up to now is 81.4 secs Computing kpt #: 137 total cpu time spent up to now is 81.9 secs Computing kpt #: 138 total cpu time spent up to now is 82.4 secs Computing kpt #: 139 total cpu time spent up to now is 82.9 secs Computing kpt #: 140 total cpu time spent up to now is 83.4 secs Computing kpt #: 141 total cpu time spent up to now is 83.9 secs Computing kpt #: 142 total cpu time spent up to now is 84.4 secs Computing kpt #: 143 total cpu time spent up to now is 84.9 secs Computing kpt #: 144 total cpu time spent up to now is 85.4 secs Computing kpt #: 145 total cpu time spent up to now is 85.9 secs Computing kpt #: 146 total cpu time spent up to now is 86.4 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.9 secs Computing kpt #: 150 total cpu time spent up to now is 88.4 secs Computing kpt #: 151 total cpu time spent up to now is 89.0 secs Computing kpt #: 152 total cpu time spent up to now is 89.5 secs Computing kpt #: 153 total cpu time spent up to now is 90.0 secs Computing kpt #: 154 total cpu time spent up to now is 90.5 secs Computing kpt #: 155 total cpu time spent up to now is 91.0 secs Computing kpt #: 156 total cpu time spent up to now is 91.5 secs Computing kpt #: 157 total cpu time spent up to now is 92.0 secs Computing kpt #: 158 total cpu time spent up to now is 92.5 secs Computing kpt #: 159 total cpu time spent up to now is 93.0 secs Computing kpt #: 160 total cpu time spent up to now is 93.6 secs Computing kpt #: 161 total cpu time spent up to now is 94.2 secs Computing kpt #: 162 total cpu time spent up to now is 94.7 secs Computing kpt #: 163 total cpu time spent up to now is 95.2 secs Computing kpt #: 164 total cpu time spent up to now is 95.8 secs Computing kpt #: 165 total cpu time spent up to now is 96.3 secs Computing kpt #: 166 total cpu time spent up to now is 96.8 secs Computing kpt #: 167 total cpu time spent up to now is 97.3 secs Computing kpt #: 168 total cpu time spent up to now is 97.8 secs Computing kpt #: 169 total cpu time spent up to now is 98.4 secs Computing kpt #: 170 total cpu time spent up to now is 98.9 secs Computing kpt #: 171 total cpu time spent up to now is 99.5 secs Computing kpt #: 172 total cpu time spent up to now is 100.2 secs Computing kpt #: 173 total cpu time spent up to now is 100.8 secs Computing kpt #: 174 total cpu time spent up to now is 101.3 secs Computing kpt #: 175 total cpu time spent up to now is 101.9 secs Computing kpt #: 176 total cpu time spent up to now is 102.5 secs Computing kpt #: 177 total cpu time spent up to now is 103.1 secs Computing kpt #: 178 total cpu time spent up to now is 103.7 secs Computing kpt #: 179 total cpu time spent up to now is 104.3 secs Computing kpt #: 180 total cpu time spent up to now is 104.9 secs Computing kpt #: 181 total cpu time spent up to now is 105.5 secs Computing kpt #: 182 total cpu time spent up to now is 106.1 secs Computing kpt #: 183 total cpu time spent up to now is 106.7 secs Computing kpt #: 184 total cpu time spent up to now is 107.3 secs Computing kpt #: 185 total cpu time spent up to now is 109.5 secs Computing kpt #: 186 total cpu time spent up to now is 110.1 secs Computing kpt #: 187 total cpu time spent up to now is 110.6 secs Computing kpt #: 188 total cpu time spent up to now is 111.1 secs Computing kpt #: 189 total cpu time spent up to now is 111.5 secs Computing kpt #: 190 total cpu time spent up to now is 112.0 secs Computing kpt #: 191 total cpu time spent up to now is 112.5 secs Computing kpt #: 192 total cpu time spent up to now is 113.0 secs Computing kpt #: 193 total cpu time spent up to now is 113.5 secs Computing kpt #: 194 total cpu time spent up to now is 114.0 secs Computing kpt #: 195 total cpu time spent up to now is 114.5 secs Computing kpt #: 196 total cpu time spent up to now is 115.0 secs Computing kpt #: 197 total cpu time spent up to now is 115.4 secs Computing kpt #: 198 total cpu time spent up to now is 116.0 secs Computing kpt #: 199 total cpu time spent up to now is 116.5 secs Computing kpt #: 200 total cpu time spent up to now is 117.1 secs Computing kpt #: 201 total cpu time spent up to now is 117.7 secs Computing kpt #: 202 total cpu time spent up to now is 118.3 secs Computing kpt #: 203 total cpu time spent up to now is 118.9 secs Computing kpt #: 204 total cpu time spent up to now is 119.5 secs Computing kpt #: 205 total cpu time spent up to now is 120.1 secs Computing kpt #: 206 total cpu time spent up to now is 120.8 secs Computing kpt #: 207 total cpu time spent up to now is 121.4 secs Computing kpt #: 208 total cpu time spent up to now is 121.9 secs Computing kpt #: 209 total cpu time spent up to now is 122.5 secs Computing kpt #: 210 total cpu time spent up to now is 123.0 secs Computing kpt #: 211 total cpu time spent up to now is 123.6 secs Computing kpt #: 212 total cpu time spent up to now is 124.1 secs Computing kpt #: 213 total cpu time spent up to now is 124.7 secs Computing kpt #: 214 total cpu time spent up to now is 125.2 secs Computing kpt #: 215 total cpu time spent up to now is 125.7 secs Computing kpt #: 216 total cpu time spent up to now is 126.3 secs Computing kpt #: 217 total cpu time spent up to now is 126.8 secs Computing kpt #: 218 total cpu time spent up to now is 127.4 secs Computing kpt #: 219 total cpu time spent up to now is 128.0 secs Computing kpt #: 220 total cpu time spent up to now is 128.5 secs Computing kpt #: 221 total cpu time spent up to now is 129.1 secs Computing kpt #: 222 total cpu time spent up to now is 129.7 secs Computing kpt #: 223 total cpu time spent up to now is 130.3 secs Computing kpt #: 224 total cpu time spent up to now is 130.9 secs Computing kpt #: 225 total cpu time spent up to now is 131.5 secs Computing kpt #: 226 total cpu time spent up to now is 132.1 secs Computing kpt #: 227 total cpu time spent up to now is 132.7 secs Computing kpt #: 228 total cpu time spent up to now is 133.4 secs Computing kpt #: 229 total cpu time spent up to now is 134.0 secs Computing kpt #: 230 total cpu time spent up to now is 134.5 secs Computing kpt #: 231 total cpu time spent up to now is 135.2 secs Computing kpt #: 232 total cpu time spent up to now is 135.7 secs Computing kpt #: 233 total cpu time spent up to now is 136.2 secs Computing kpt #: 234 total cpu time spent up to now is 136.8 secs Computing kpt #: 235 total cpu time spent up to now is 137.3 secs Computing kpt #: 236 total cpu time spent up to now is 137.8 secs Computing kpt #: 237 total cpu time spent up to now is 138.3 secs Computing kpt #: 238 total cpu time spent up to now is 138.8 secs Computing kpt #: 239 total cpu time spent up to now is 139.2 secs Computing kpt #: 240 total cpu time spent up to now is 139.7 secs Computing kpt #: 241 total cpu time spent up to now is 140.2 secs Computing kpt #: 242 total cpu time spent up to now is 140.6 secs Computing kpt #: 243 total cpu time spent up to now is 141.2 secs Computing kpt #: 244 total cpu time spent up to now is 141.6 secs Computing kpt #: 245 total cpu time spent up to now is 142.1 secs Computing kpt #: 246 total cpu time spent up to now is 142.6 secs Computing kpt #: 247 total cpu time spent up to now is 143.1 secs Computing kpt #: 248 total cpu time spent up to now is 143.6 secs Computing kpt #: 249 total cpu time spent up to now is 144.1 secs Computing kpt #: 250 total cpu time spent up to now is 144.6 secs Computing kpt #: 251 total cpu time spent up to now is 145.1 secs Computing kpt #: 252 total cpu time spent up to now is 145.8 secs Computing kpt #: 253 total cpu time spent up to now is 146.3 secs Computing kpt #: 254 total cpu time spent up to now is 147.0 secs Computing kpt #: 255 total cpu time spent up to now is 147.6 secs Computing kpt #: 256 total cpu time spent up to now is 148.2 secs Computing kpt #: 257 total cpu time spent up to now is 148.9 secs Computing kpt #: 258 total cpu time spent up to now is 149.5 secs Computing kpt #: 259 total cpu time spent up to now is 150.2 secs Computing kpt #: 260 total cpu time spent up to now is 150.7 secs Computing kpt #: 261 total cpu time spent up to now is 151.3 secs Computing kpt #: 262 total cpu time spent up to now is 151.9 secs Computing kpt #: 263 total cpu time spent up to now is 152.5 secs Computing kpt #: 264 total cpu time spent up to now is 153.1 secs Computing kpt #: 265 total cpu time spent up to now is 153.7 secs Computing kpt #: 266 total cpu time spent up to now is 154.4 secs Computing kpt #: 267 total cpu time spent up to now is 154.9 secs Computing kpt #: 268 total cpu time spent up to now is 155.6 secs Computing kpt #: 269 total cpu time spent up to now is 156.2 secs Computing kpt #: 270 total cpu time spent up to now is 156.8 secs Computing kpt #: 271 total cpu time spent up to now is 157.3 secs Computing kpt #: 272 total cpu time spent up to now is 157.8 secs Computing kpt #: 273 total cpu time spent up to now is 158.3 secs Computing kpt #: 274 total cpu time spent up to now is 158.9 secs Computing kpt #: 275 total cpu time spent up to now is 159.4 secs Computing kpt #: 276 total cpu time spent up to now is 159.8 secs Computing kpt #: 277 total cpu time spent up to now is 160.3 secs Computing kpt #: 278 total cpu time spent up to now is 160.8 secs Computing kpt #: 279 total cpu time spent up to now is 161.3 secs Computing kpt #: 280 total cpu time spent up to now is 161.8 secs Computing kpt #: 281 total cpu time spent up to now is 162.3 secs Computing kpt #: 282 total cpu time spent up to now is 162.7 secs Computing kpt #: 283 total cpu time spent up to now is 163.3 secs Computing kpt #: 284 total cpu time spent up to now is 163.8 secs Computing kpt #: 285 total cpu time spent up to now is 164.3 secs Computing kpt #: 286 total cpu time spent up to now is 164.9 secs Computing kpt #: 287 total cpu time spent up to now is 165.5 secs Computing kpt #: 288 total cpu time spent up to now is 166.1 secs Computing kpt #: 289 total cpu time spent up to now is 166.8 secs Computing kpt #: 290 total cpu time spent up to now is 167.4 secs Computing kpt #: 291 total cpu time spent up to now is 168.0 secs Computing kpt #: 292 total cpu time spent up to now is 168.6 secs Computing kpt #: 293 total cpu time spent up to now is 169.1 secs Computing kpt #: 294 total cpu time spent up to now is 169.8 secs Computing kpt #: 295 total cpu time spent up to now is 170.3 secs Computing kpt #: 296 total cpu time spent up to now is 170.9 secs Computing kpt #: 297 total cpu time spent up to now is 171.4 secs Computing kpt #: 298 total cpu time spent up to now is 172.0 secs Computing kpt #: 299 total cpu time spent up to now is 172.5 secs Computing kpt #: 300 total cpu time spent up to now is 173.0 secs Computing kpt #: 301 total cpu time spent up to now is 173.5 secs Computing kpt #: 302 total cpu time spent up to now is 174.0 secs Computing kpt #: 303 total cpu time spent up to now is 174.6 secs Computing kpt #: 304 total cpu time spent up to now is 175.2 secs Computing kpt #: 305 total cpu time spent up to now is 175.7 secs Computing kpt #: 306 total cpu time spent up to now is 176.3 secs Computing kpt #: 307 total cpu time spent up to now is 176.8 secs Computing kpt #: 308 total cpu time spent up to now is 177.4 secs Computing kpt #: 309 total cpu time spent up to now is 178.0 secs Computing kpt #: 310 total cpu time spent up to now is 178.5 secs Computing kpt #: 311 total cpu time spent up to now is 179.1 secs Computing kpt #: 312 total cpu time spent up to now is 179.7 secs Computing kpt #: 313 total cpu time spent up to now is 180.3 secs Computing kpt #: 314 total cpu time spent up to now is 180.9 secs Computing kpt #: 315 total cpu time spent up to now is 181.5 secs Computing kpt #: 316 total cpu time spent up to now is 182.1 secs Computing kpt #: 317 total cpu time spent up to now is 182.7 secs Computing kpt #: 318 total cpu time spent up to now is 183.3 secs Computing kpt #: 319 total cpu time spent up to now is 183.9 secs Computing kpt #: 320 total cpu time spent up to now is 184.6 secs Computing kpt #: 321 total cpu time spent up to now is 185.2 secs Computing kpt #: 322 total cpu time spent up to now is 185.8 secs Computing kpt #: 323 total cpu time spent up to now is 186.4 secs Computing kpt #: 324 total cpu time spent up to now is 187.0 secs Computing kpt #: 325 total cpu time spent up to now is 187.6 secs Computing kpt #: 326 total cpu time spent up to now is 188.1 secs Computing kpt #: 327 total cpu time spent up to now is 188.7 secs Computing kpt #: 328 total cpu time spent up to now is 189.2 secs ethr = 4.55E-08, avg # of iterations = 24.1 total cpu time spent up to now is 189.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7823 PWs) bands (ev): -38.2371 -38.2371 -37.8910 -37.8910 -2.5173 -2.5173 2.5028 2.5028 2.5028 2.5028 3.3234 3.3234 4.1950 4.1950 4.1950 4.1950 8.9639 8.9639 9.4678 9.4678 9.8390 9.8390 9.8390 9.8390 10.4543 10.4543 11.2566 11.2566 11.2566 11.2566 k = 0.0102-0.0059 0.0083 ( 7855 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5163 -2.5163 2.5008 2.5008 2.5050 2.5050 3.3234 3.3234 4.1908 4.1908 4.1987 4.1987 8.9482 8.9482 9.4669 9.4669 9.8172 9.8172 9.8448 9.8448 10.4705 10.4705 11.2606 11.2606 11.2653 11.2653 k = 0.0204-0.0118 0.0167 ( 7879 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5133 -2.5133 2.4989 2.4989 2.5075 2.5075 3.3235 3.3235 4.1860 4.1861 4.2021 4.2021 8.9045 8.9045 9.4592 9.4592 9.7618 9.7618 9.8604 9.8604 10.5132 10.5132 11.2732 11.2732 11.2901 11.2901 k = 0.0306-0.0177 0.0250 ( 7887 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5083 -2.5083 2.4972 2.4972 2.5102 2.5102 3.3236 3.3236 4.1807 4.1807 4.2050 4.2050 8.8399 8.8399 9.4352 9.4352 9.6833 9.6833 9.8906 9.8906 10.5703 10.5703 11.2949 11.2949 11.3297 11.3297 k = 0.0408-0.0236 0.0333 ( 7891 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5014 -2.5014 2.4956 2.4956 2.5133 2.5133 3.3238 3.3238 4.1748 4.1748 4.2077 4.2077 8.7611 8.7611 9.3903 9.3903 9.5910 9.5910 9.9352 9.9352 10.6323 10.6323 11.3263 11.3263 11.3819 11.3819 k = 0.0510-0.0295 0.0417 ( 7891 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4925 -2.4925 2.4941 2.4941 2.5167 2.5167 3.3240 3.3240 4.1682 4.1682 4.2101 4.2101 8.6726 8.6726 9.3256 9.3256 9.4911 9.4911 9.9902 9.9902 10.6933 10.6933 11.3679 11.3679 11.4442 11.4442 k = 0.0612-0.0353 0.0500 ( 7891 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4816 -2.4816 2.4925 2.4925 2.5206 2.5206 3.3243 3.3243 4.1610 4.1610 4.2124 4.2124 8.5773 8.5773 9.2448 9.2448 9.3870 9.3870 10.0504 10.0504 10.7508 10.7508 11.4196 11.4196 11.5145 11.5145 k = 0.0714-0.0412 0.0583 ( 7891 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4688 -2.4688 2.4909 2.4909 2.5248 2.5248 3.3247 3.3247 4.1531 4.1531 4.2146 4.2146 8.4771 8.4771 9.1517 9.1517 9.2806 9.2806 10.1115 10.1115 10.8040 10.8040 11.4805 11.4805 11.5911 11.5911 k = 0.0816-0.0471 0.0667 ( 7899 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4540 -2.4540 2.4892 2.4892 2.5295 2.5295 3.3252 3.3252 4.1447 4.1447 4.2167 4.2167 8.3730 8.3730 9.0498 9.0498 9.1727 9.1727 10.1700 10.1700 10.8540 10.8540 11.5492 11.5492 11.6726 11.6726 k = 0.0918-0.0530 0.0750 ( 7899 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4373 -2.4373 2.4874 2.4874 2.5346 2.5346 3.3257 3.3257 4.1357 4.1357 4.2188 4.2188 8.2659 8.2659 8.9418 8.9418 9.0634 9.0634 10.2236 10.2236 10.9020 10.9020 11.6240 11.6240 11.7578 11.7578 k = 0.1020-0.0589 0.0833 ( 7907 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.4188 -2.4188 2.4854 2.4854 2.5402 2.5402 3.3265 3.3265 4.1262 4.1262 4.2209 4.2209 8.1563 8.1563 8.8299 8.8299 8.9528 8.9528 10.2704 10.2704 10.9492 10.9492 11.7031 11.7031 11.8460 11.8460 k = 0.1122-0.0648 0.0916 ( 7907 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3984 -2.3984 2.4833 2.4833 2.5463 2.5463 3.3273 3.3273 4.1163 4.1163 4.2231 4.2231 8.0445 8.0445 8.7155 8.7155 8.8411 8.8411 10.3095 10.3095 10.9959 10.9959 11.7850 11.7850 11.9364 11.9364 k = 0.1224-0.0707 0.1000 ( 7907 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3762 -2.3762 2.4808 2.4808 2.5529 2.5529 3.3283 3.3283 4.1061 4.1061 4.2254 4.2254 7.9309 7.9309 8.5999 8.5999 8.7283 8.7283 10.3406 10.3406 11.0415 11.0415 11.8684 11.8684 12.0287 12.0287 k = 0.1327-0.0766 0.1083 ( 7919 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3522 -2.3522 2.4781 2.4781 2.5600 2.5600 3.3294 3.3294 4.0956 4.0956 4.2278 4.2278 7.8156 7.8156 8.4836 8.4836 8.6149 8.6149 10.3642 10.3642 11.0844 11.0844 11.9519 11.9519 12.1226 12.1226 k = 0.1429-0.0825 0.1166 ( 7943 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3264 -2.3264 2.4750 2.4750 2.5676 2.5676 3.3307 3.3307 4.0851 4.0851 4.2303 4.2303 7.6990 7.6990 8.3674 8.3674 8.5010 8.5010 10.3810 10.3810 11.1219 11.1219 12.0346 12.0346 12.2178 12.2178 k = 0.1531-0.0884 0.1250 ( 7935 PWs) bands (ev): -38.2369 -38.2369 -37.8912 -37.8912 -2.2989 -2.2989 2.4716 2.4716 2.5757 2.5757 3.3322 3.3322 4.0746 4.0746 4.2330 4.2330 7.5812 7.5812 8.2514 8.2514 8.3870 8.3870 10.3919 10.3919 11.1516 11.1516 12.1155 12.1155 12.3143 12.3143 k = 0.1633-0.0943 0.1333 ( 7943 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2697 -2.2697 2.4677 2.4677 2.5844 2.5844 3.3338 3.3338 4.0642 4.0642 4.2360 4.2360 7.4625 7.4625 8.1361 8.1361 8.2730 8.2730 10.3981 10.3981 11.1709 11.1709 12.1940 12.1940 12.4120 12.4120 k = 0.1735-0.1002 0.1416 ( 7964 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2390 -2.2390 2.4633 2.4633 2.5936 2.5936 3.3355 3.3355 4.0542 4.0542 4.2391 4.2391 7.3430 7.3430 8.0216 8.0216 8.1594 8.1594 10.4003 10.4003 11.1782 11.1782 12.2708 12.2708 12.5111 12.5111 k = 0.1837-0.1060 0.1500 ( 7964 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2067 -2.2067 2.4583 2.4583 2.6034 2.6034 3.3374 3.3374 4.0447 4.0447 4.2425 4.2425 7.2231 7.2231 7.9082 7.9082 8.0463 8.0463 10.3994 10.3994 11.1732 11.1732 12.3473 12.3473 12.6114 12.6114 k = 0.1939-0.1119 0.1583 ( 7964 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1728 -2.1728 2.4528 2.4528 2.6137 2.6137 3.3394 3.3394 4.0357 4.0357 4.2461 4.2461 7.1029 7.1029 7.7959 7.7959 7.9339 7.9339 10.3961 10.3961 11.1570 11.1570 12.4256 12.4256 12.7133 12.7133 k = 0.2041-0.1178 0.1666 ( 7956 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1376 -2.1376 2.4466 2.4466 2.6246 2.6246 3.3415 3.3415 4.0276 4.0276 4.2500 4.2500 6.9826 6.9826 7.6850 7.6850 7.8224 7.8224 10.3907 10.3907 11.1312 11.1312 12.5074 12.5074 12.8167 12.8167 k = 0.2143-0.1237 0.1750 ( 7952 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.1010 -2.1010 2.4397 2.4397 2.6360 2.6360 3.3436 3.3436 4.0205 4.0205 4.2542 4.2542 6.8626 6.8626 7.5755 7.5755 7.7120 7.7120 10.3838 10.3838 11.0981 11.0981 12.5937 12.5937 12.9218 12.9218 k = 0.2245-0.1296 0.1833 ( 7948 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0632 -2.0632 2.4320 2.4320 2.6480 2.6480 3.3458 3.3458 4.0144 4.0144 4.2586 4.2586 6.7430 6.7430 7.4676 7.4676 7.6029 7.6029 10.3757 10.3757 11.0598 11.0598 12.6848 12.6848 13.0288 13.0288 k = 0.2347-0.1355 0.1916 ( 7940 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0242 -2.0242 2.4236 2.4236 2.6605 2.6605 3.3478 3.3478 4.0097 4.0097 4.2634 4.2634 6.6242 6.6242 7.3614 7.3614 7.4951 7.4951 10.3666 10.3666 11.0182 11.0182 12.7806 12.7806 13.1376 13.1376 k = 0.2449-0.1414 0.2000 ( 7964 PWs) bands (ev): -38.2366 -38.2366 -37.8914 -37.8914 -1.9841 -1.9841 2.4143 2.4143 2.6736 2.6736 3.3498 3.3498 4.0064 4.0064 4.2686 4.2686 6.5064 6.5064 7.2571 7.2571 7.3887 7.3887 10.3569 10.3569 10.9748 10.9748 12.8806 12.8806 13.2485 13.2485 k = 0.2551-0.1473 0.2083 ( 7964 PWs) bands (ev): -38.2366 -38.2366 -37.8914 -37.8914 -1.9431 -1.9431 2.4041 2.4041 2.6872 2.6872 3.3516 3.3516 4.0048 4.0048 4.2741 4.2741 6.3899 6.3899 7.1546 7.1546 7.2840 7.2840 10.3466 10.3466 10.9308 10.9308 12.9845 12.9845 13.3614 13.3614 k = 0.2653-0.1532 0.2166 ( 7956 PWs) bands (ev): -38.2366 -38.2366 -37.8915 -37.8915 -1.9012 -1.9012 2.3931 2.3931 2.7013 2.7013 3.3532 3.3532 4.0048 4.0048 4.2800 4.2800 6.2750 6.2750 7.0542 7.0542 7.1811 7.1811 10.3358 10.3358 10.8871 10.8871 13.0919 13.0919 13.4765 13.4765 k = 0.2755-0.1591 0.2250 ( 7960 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8586 -1.8586 2.3811 2.3811 2.7160 2.7160 3.3544 3.3544 4.0067 4.0067 4.2862 4.2862 6.1619 6.1619 6.9560 6.9560 7.0800 7.0800 10.3248 10.3248 10.8444 10.8444 13.2026 13.2026 13.5938 13.5938 k = 0.2857-0.1650 0.2333 ( 7980 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8155 -1.8155 2.3682 2.3682 2.7312 2.7312 3.3553 3.3553 4.0105 4.0105 4.2929 4.2929 6.0509 6.0509 6.8601 6.8601 6.9809 6.9809 10.3136 10.3136 10.8032 10.8032 13.3162 13.3162 13.7133 13.7133 k = 0.2959-0.1708 0.2416 ( 7972 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.7719 -1.7719 2.3545 2.3545 2.7470 2.7470 3.3557 3.3557 4.0163 4.0163 4.3001 4.3001 5.9424 5.9424 6.7666 6.7666 6.8839 6.8839 10.3023 10.3023 10.7638 10.7638 13.4326 13.4326 13.8350 13.8350 k = 0.3061-0.1767 0.2499 ( 7972 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.7281 -1.7281 2.3398 2.3398 2.7633 2.7633 3.3556 3.3556 4.0241 4.0241 4.3077 4.3077 5.8367 5.8367 6.6757 6.6757 6.7892 6.7892 10.2909 10.2909 10.7265 10.7265 13.5517 13.5517 13.9590 13.9590 k = 0.3163-0.1826 0.2583 ( 7968 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6843 -1.6843 2.3243 2.3243 2.7801 2.7801 3.3549 3.3549 4.0340 4.0340 4.3157 4.3157 5.7339 5.7339 6.5874 6.5874 6.6968 6.6968 10.2796 10.2796 10.6914 10.6914 13.6733 13.6733 14.0852 14.0852 k = 0.3265-0.1885 0.2666 ( 7996 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6406 -1.6406 2.3081 2.3081 2.7975 2.7975 3.3535 3.3535 4.0458 4.0458 4.3243 4.3243 5.6343 5.6343 6.5020 6.5020 6.6069 6.6069 10.2683 10.2683 10.6587 10.6587 13.7973 13.7973 14.2136 14.2136 k = 0.3367-0.1944 0.2749 ( 7996 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5972 -1.5972 2.2912 2.2912 2.8154 2.8154 3.3513 3.3513 4.0595 4.0595 4.3334 4.3334 5.5384 5.5384 6.4196 6.4196 6.5197 6.5197 10.2571 10.2571 10.6283 10.6283 13.9236 13.9236 14.3442 14.3442 k = 0.3469-0.2003 0.2833 ( 7972 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5544 -1.5544 2.2737 2.2737 2.8338 2.8338 3.3483 3.3483 4.0751 4.0751 4.3431 4.3431 5.4462 5.4462 6.3403 6.3403 6.4354 6.4354 10.2462 10.2462 10.6003 10.6003 14.0520 14.0520 14.4768 14.4768 k = 0.3571-0.2062 0.2916 ( 7964 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5125 -1.5125 2.2559 2.2559 2.8528 2.8528 3.3443 3.3443 4.0925 4.0925 4.3533 4.3533 5.3580 5.3580 6.2644 6.2644 6.3540 6.3540 10.2355 10.2355 10.5747 10.5747 14.1824 14.1824 14.6113 14.6113 k = 0.3673-0.2121 0.2999 ( 7968 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8917 -1.4716 -1.4716 2.2377 2.2377 2.8722 2.8722 3.3392 3.3392 4.1114 4.1114 4.3641 4.3641 5.2740 5.2740 6.1920 6.1920 6.2759 6.2759 10.2251 10.2251 10.5514 10.5514 14.3146 14.3146 14.7476 14.7476 k = 0.3776-0.2180 0.3083 ( 7988 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8917 -1.4321 -1.4321 2.2195 2.2195 2.8922 2.8922 3.3330 3.3330 4.1317 4.1317 4.3754 4.3754 5.1944 5.1944 6.1233 6.1233 6.2013 6.2013 10.2151 10.2151 10.5303 10.5303 14.4485 14.4485 14.8855 14.8855 k = 0.3878-0.2239 0.3166 ( 7988 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3942 -1.3942 2.2014 2.2014 2.9126 2.9126 3.3256 3.3256 4.1532 4.1532 4.3874 4.3874 5.1193 5.1193 6.0586 6.0586 6.1304 6.1304 10.2055 10.2055 10.5114 10.5114 14.5838 14.5838 15.0247 15.0247 k = 0.3980-0.2298 0.3249 ( 7996 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3582 -1.3582 2.1837 2.1837 2.9335 2.9335 3.3168 3.3168 4.1756 4.1756 4.3999 4.3999 5.0488 5.0488 5.9981 5.9981 6.0635 6.0635 10.1965 10.1965 10.4945 10.4945 14.7201 14.7201 15.1649 15.1649 k = 0.4082-0.2357 0.3333 ( 7988 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3245 -1.3245 2.1666 2.1666 2.9548 2.9548 3.3066 3.3066 4.1987 4.1987 4.4131 4.4131 4.9829 4.9829 5.9420 5.9420 6.0010 6.0010 10.1881 10.1881 10.4796 10.4796 14.8570 14.8570 15.3055 15.3055 k = 0.4184-0.2415 0.3416 ( 7952 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.2932 -1.2932 2.1504 2.1504 2.9765 2.9765 3.2950 3.2950 4.2220 4.2220 4.4268 4.4268 4.9216 4.9216 5.8908 5.8908 5.9432 5.9432 10.1804 10.1804 10.4666 10.4666 14.9939 14.9939 15.4458 15.4458 k = 0.4286-0.2474 0.3499 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2648 -1.2648 2.1352 2.1352 2.9985 2.9985 3.2820 3.2820 4.2453 4.2453 4.4411 4.4411 4.8648 4.8648 5.8445 5.8445 5.8905 5.8905 10.1734 10.1734 10.4553 10.4553 15.1300 15.1300 15.5848 15.5848 k = 0.4388-0.2533 0.3583 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2395 -1.2395 2.1214 2.1214 3.0208 3.0208 3.2675 3.2675 4.2678 4.2678 4.4562 4.4562 4.8124 4.8124 5.8037 5.8037 5.8435 5.8435 10.1672 10.1672 10.4458 10.4458 15.2639 15.2639 15.7209 15.7209 k = 0.4490-0.2592 0.3666 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2176 -1.2176 2.1093 2.1093 3.0432 3.0432 3.2517 3.2517 4.2891 4.2891 4.4722 4.4722 4.7643 4.7643 5.7685 5.7685 5.8024 5.8024 10.1619 10.1619 10.4378 10.4378 15.3937 15.3937 15.8517 15.8517 k = 0.4592-0.2651 0.3749 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.1993 -1.1993 2.0990 2.0990 3.0658 3.0658 3.2345 3.2345 4.3083 4.3083 4.4894 4.4894 4.7203 4.7203 5.7392 5.7392 5.7679 5.7679 10.1574 10.1574 10.4314 10.4314 15.5164 15.5164 15.9735 15.9735 k = 0.4694-0.2710 0.3833 ( 7964 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.1848 -1.1848 2.0908 2.0908 3.0883 3.0883 3.2162 3.2162 4.3246 4.3246 4.5081 4.5081 4.6801 4.6801 5.7163 5.7163 5.7404 5.7404 10.1539 10.1539 10.4265 10.4265 15.6274 15.6274 16.0806 16.0806 k = 0.4796-0.2769 0.3916 ( 7972 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1743 -1.1743 2.0847 2.0847 3.1106 3.1106 3.1968 3.1968 4.3371 4.3371 4.5289 4.5289 4.6437 4.6437 5.6997 5.6997 5.7203 5.7203 10.1514 10.1514 10.4230 10.4230 15.7193 15.7193 16.1654 16.1654 k = 0.4898-0.2828 0.3999 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1679 -1.1679 2.0811 2.0811 3.1324 3.1324 3.1768 3.1768 4.3449 4.3449 4.5518 4.5518 4.6113 4.6113 5.6898 5.6898 5.7081 5.7081 10.1499 10.1499 10.4209 10.4209 15.7819 15.7819 16.2197 16.2197 k = 0.5000-0.2887 0.4082 ( 7992 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1658 -1.1658 2.0799 2.0799 3.1490 3.1490 3.1608 3.1608 4.3476 4.3476 4.5706 4.5706 4.5893 4.5893 5.6865 5.6865 5.7040 5.7040 10.1494 10.1494 10.4202 10.4202 15.8045 15.8045 16.2382 16.2382 k = 0.5000-0.2887 0.4082 ( 7992 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1658 -1.1658 2.0799 2.0799 3.1490 3.1490 3.1608 3.1608 4.3476 4.3476 4.5706 4.5706 4.5893 4.5893 5.6865 5.6865 5.7040 5.7040 10.1494 10.1494 10.4202 10.4202 15.8045 15.8045 16.2382 16.2382 k = 0.5000-0.2771 0.4164 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1669 -1.1648 2.0779 2.0839 3.1322 3.1575 3.1589 3.1705 4.3283 4.3662 4.5457 4.5785 4.5901 4.6002 5.6744 5.6844 5.7101 5.7148 10.1476 10.1581 10.4210 10.4261 15.7780 15.8116 16.2162 16.2316 k = 0.5000-0.2656 0.4246 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1680 -1.1639 2.0781 2.0900 3.1149 3.1540 3.1605 3.1878 4.3077 4.3844 4.5141 4.5776 4.5937 4.6136 5.6651 5.6713 5.7171 5.7387 10.1526 10.1736 10.4285 10.4388 15.7338 15.7941 16.1651 16.2065 k = 0.5000-0.2540 0.4327 ( 7958 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1692 -1.1631 2.0804 2.0982 3.0978 3.1496 3.1605 3.2062 4.2850 4.4023 4.4795 4.5763 4.5983 4.6209 5.6546 5.6603 5.7231 5.7675 10.1646 10.1958 10.4427 10.4581 15.6704 15.7448 16.0934 16.1775 k = 0.5000-0.2425 0.4409 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1705 -1.1624 2.0847 2.1085 3.0810 3.1443 3.1594 3.2250 4.2589 4.4201 4.4443 4.5756 4.6035 4.6211 5.6352 5.6591 5.7293 5.7994 10.1833 10.2245 10.4635 10.4841 15.5847 15.6608 16.0128 16.1550 k = 0.5000-0.2309 0.4491 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1718 -1.1617 2.0910 2.1210 3.0643 3.1380 3.1575 3.2440 4.2280 4.4109 4.4375 4.5758 4.6094 4.6146 5.6133 5.6589 5.7375 5.8335 10.2088 10.2597 10.4908 10.5166 15.4754 15.5472 15.9323 16.1390 k = 0.5000-0.2194 0.4572 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1731 -1.1612 2.0993 2.1355 3.0478 3.1307 3.1547 3.2631 4.1912 4.3813 4.4542 4.5775 4.6023 4.6160 5.5892 5.6570 5.7499 5.8689 10.2410 10.3011 10.5244 10.5555 15.3449 15.4121 15.8549 16.1221 k = 0.5000-0.2078 0.4654 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1745 -1.1607 2.1097 2.1521 3.0313 3.1224 3.1511 3.2821 4.1484 4.3563 4.4697 4.5796 4.5867 4.6233 5.5628 5.6515 5.7673 5.9051 10.2797 10.3486 10.5643 10.6008 15.1981 15.2630 15.7786 16.0865 k = 0.5000-0.1963 0.4736 ( 7990 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1759 -1.1603 2.1219 2.1707 3.0147 3.1133 3.1465 3.3011 4.1007 4.3358 4.4831 4.5629 4.5889 4.6314 5.5346 5.6420 5.7893 5.9413 10.3247 10.4018 10.6102 10.6521 15.0403 15.1049 15.6997 16.0080 k = 0.5000-0.1848 0.4817 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1773 -1.1599 2.1361 2.1914 2.9979 3.1033 3.1409 3.3198 4.0495 4.3189 4.4939 4.5393 4.5988 4.6402 5.5047 5.6289 5.8147 5.9770 10.3759 10.4607 10.6617 10.7093 14.8758 14.9414 15.6149 15.8919 k = 0.5000-0.1732 0.4899 ( 7990 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1787 -1.1597 2.1522 2.2141 2.9806 3.0927 3.1342 3.3381 3.9962 4.3047 4.5011 4.5146 4.6127 4.6499 5.4733 5.6126 5.8422 6.0119 10.4329 10.5249 10.7187 10.7721 14.7074 14.7750 15.5216 15.7574 k = 0.5000-0.1617 0.4981 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1801 -1.1594 2.1700 2.2388 2.9626 3.0817 3.1263 3.3560 3.9423 4.2926 4.4862 4.5085 4.6300 4.6605 5.4406 5.5937 5.8707 6.0456 10.4956 10.5940 10.7808 10.8401 14.5375 14.6073 15.4188 15.6135 k = 0.5000-0.1501 0.5062 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1814 -1.1593 2.1896 2.2654 2.9436 3.0705 3.1168 3.3731 3.8887 4.2822 4.4600 4.5116 4.6500 4.6721 5.4069 5.5725 5.8994 6.0777 10.5636 10.6679 10.8473 10.9129 14.3674 14.4398 15.3069 15.4645 k = 0.5000-0.1386 0.5144 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1827 -1.1592 2.2109 2.2939 2.9234 3.0595 3.1057 3.3893 3.8364 4.2732 4.4340 4.5136 4.6722 4.6847 5.3723 5.5495 5.9277 6.1080 10.6365 10.7460 10.9179 10.9901 14.1985 14.2735 15.1873 15.3128 k = 0.5000-0.1270 0.5226 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1840 -1.1591 2.2338 2.3242 2.9018 3.0488 3.0926 3.4043 3.7865 4.2652 4.4090 4.5147 4.6958 4.6984 5.3372 5.5249 5.9549 6.1364 10.7139 10.8281 10.9917 11.0709 14.0318 14.1093 15.0622 15.1605 k = 0.5000-0.1155 0.5307 ( 7972 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1852 -1.1591 2.2583 2.3562 2.8786 3.0387 3.0771 3.4178 3.7399 4.2583 4.3853 4.5153 4.7132 4.7205 5.3018 5.4991 5.9807 6.1626 10.7954 10.9134 11.0680 11.1548 13.8683 13.9480 14.9342 15.0094 k = 0.5000-0.1039 0.5389 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1863 -1.1591 2.2842 2.3899 2.8537 3.0294 3.0590 3.4294 3.6976 4.2522 4.3634 4.5155 4.7292 4.7459 5.2662 5.4726 6.0047 6.1866 10.8802 11.0015 11.1457 11.2407 13.7087 13.7904 14.8058 14.8612 k = 0.5000-0.0924 0.5471 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1874 -1.1591 2.3114 2.4251 2.8273 3.0210 3.0380 3.4386 3.6606 4.2468 4.3435 4.5155 4.7464 4.7716 5.2308 5.4456 6.0266 6.2082 10.9675 11.0914 11.2238 11.3275 13.5542 13.6375 14.6797 14.7178 k = 0.5000-0.0808 0.5552 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1883 -1.1591 2.3399 2.4616 2.7992 3.0136 3.0139 3.4449 3.6298 4.2422 4.3256 4.5154 4.7647 4.7971 5.1957 5.4187 6.0463 6.2274 11.0564 11.1822 11.3006 11.4139 13.4060 13.4903 14.5584 14.5812 k = 0.5000-0.0693 0.5634 ( 7972 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1892 -1.1592 2.3694 2.4994 2.7699 2.9866 3.0072 3.4476 3.6061 4.2383 4.3100 4.5152 4.7841 4.8220 5.1614 5.3924 6.0637 6.2442 11.1453 11.2721 11.3745 11.4983 13.2655 13.3503 14.4445 14.4536 k = 0.5000-0.0577 0.5715 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1899 -1.1592 2.3999 2.5380 2.7394 2.9563 3.0019 3.4470 3.5895 4.2350 4.2967 4.5149 4.8044 4.8458 5.1281 5.3674 6.0785 6.2583 11.2323 11.3592 11.4433 11.5787 13.1348 13.2194 14.3375 14.3407 k = 0.5000-0.0462 0.5797 ( 7972 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1905 -1.1592 2.4310 2.5772 2.7081 2.9236 2.9975 3.4436 3.5793 4.2323 4.2859 4.5147 4.8253 4.8676 5.0963 5.3445 6.0907 6.2700 11.3145 11.4405 11.5049 11.6527 13.0169 13.1005 14.2358 14.2500 k = 0.5000-0.0346 0.5879 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1910 -1.1593 2.4623 2.6161 2.6766 2.8893 2.9941 3.4390 3.5737 4.2303 4.2774 4.5145 4.8461 4.8864 5.0669 5.3247 6.1003 6.2791 11.3880 11.5120 11.5565 11.7172 12.9156 12.9974 14.1518 14.1752 k = 0.5000-0.0231 0.5960 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1913 -1.1593 2.4930 2.6456 2.6532 2.8552 2.9917 3.4346 3.5710 4.2288 4.2713 4.5144 4.8655 4.9012 5.0412 5.3092 6.1072 6.2855 11.4476 11.5686 11.5956 11.7688 12.8363 12.9158 14.0887 14.1193 k = 0.5000-0.0115 0.6042 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1915 -1.1593 2.5204 2.6180 2.6847 2.8255 2.9903 3.4316 3.5698 4.2279 4.2677 4.5143 4.8806 4.9107 5.0223 5.2992 6.1113 6.2894 11.4870 11.6053 11.6201 11.8027 12.7851 12.8624 14.0494 14.0846 k = 0.5000-0.0000 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1916 -1.1593 2.5343 2.6041 2.6989 2.8118 2.9898 3.4306 3.5696 4.2277 4.2664 4.5142 4.8867 4.9140 5.0150 5.2958 6.1127 6.2907 11.5009 11.6180 11.6284 11.8147 12.7673 12.8438 14.0360 14.0728 k = 0.5000-0.0000 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1916 -1.1593 2.5343 2.6041 2.6989 2.8118 2.9898 3.4306 3.5696 4.2277 4.2664 4.5142 4.8867 4.9140 5.0150 5.2958 6.1127 6.2907 11.5009 11.6180 11.6284 11.8147 12.7673 12.8438 14.0360 14.0728 k = 0.4931 0.0120 0.6124 ( 7975 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1920 -1.1598 2.5266 2.6114 2.6926 2.8188 2.9899 3.4313 3.5695 4.2252 4.2684 4.5126 4.8765 4.9186 5.0217 5.2992 6.1137 6.2922 11.4857 11.5716 11.6643 11.8164 12.7744 12.8539 14.0430 14.0828 k = 0.4861 0.0241 0.6124 ( 7975 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1931 -1.1610 2.5093 2.6265 2.6790 2.8356 2.9901 3.4333 3.5692 4.2193 4.2728 4.5077 4.8574 4.9222 5.0400 5.3092 6.1169 6.2965 11.4391 11.5018 11.7027 11.8250 12.7973 12.8825 14.0641 14.1098 k = 0.4792 0.0361 0.6124 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1949 -1.1630 2.4885 2.6354 2.6716 2.8568 2.9906 3.4365 3.5691 4.2113 4.2776 4.5001 4.8362 4.9216 5.0661 5.3255 6.1223 6.3036 11.3666 11.4157 11.7387 11.8404 12.8360 12.9269 14.0987 14.1501 k = 0.4722 0.0481 0.6124 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1971 -1.1655 2.4668 2.6236 2.6851 2.8792 2.9912 3.4402 3.5693 4.2020 4.2820 4.4904 4.8146 4.9178 5.0968 5.3468 6.1300 6.3134 11.2764 11.3175 11.7716 11.8591 12.8887 12.9847 14.1456 14.2011 k = 0.4653 0.0601 0.6124 ( 7971 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1997 -1.1684 2.4452 2.6043 2.7066 2.9015 2.9920 3.4440 3.5707 4.1910 4.2857 4.4799 4.7931 4.9121 5.1300 5.3720 6.1401 6.3256 11.1751 11.2118 11.8014 11.8785 12.9531 13.0536 14.2029 14.2610 k = 0.4583 0.0722 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2026 -1.1716 2.4243 2.5842 2.7297 2.9231 2.9930 3.4469 3.5740 4.1782 4.2886 4.4694 4.7718 4.9053 5.1645 5.3996 6.1526 6.3399 11.0676 11.1028 11.8280 11.8968 13.0270 13.1318 14.2684 14.3280 k = 0.4514 0.0842 0.6124 ( 7979 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2057 -1.1751 2.4045 2.5647 2.7528 2.9435 2.9943 3.4479 3.5803 4.1633 4.2906 4.4599 4.7508 4.8981 5.1991 5.4284 6.1677 6.3562 10.9578 10.9932 11.8514 11.9134 13.1087 13.2177 14.3400 14.4010 k = 0.4444 0.0962 0.6124 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2088 -1.1786 2.3859 2.5463 2.7753 2.9625 2.9958 3.4465 3.5902 4.1460 4.2918 4.4523 4.7302 4.8910 5.2329 5.4572 6.1852 6.3738 10.8492 10.8854 11.8717 11.9280 13.1968 13.3099 14.4144 14.4787 k = 0.4375 0.1083 0.6124 ( 7969 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2119 -1.1821 2.3687 2.5293 2.7968 2.9798 2.9978 3.4424 3.6040 4.1262 4.2923 4.4469 4.7100 4.8842 5.2651 5.4850 6.2051 6.3924 10.7443 10.7812 11.8892 11.9406 13.2901 13.4075 14.4876 14.5600 k = 0.4306 0.1203 0.6124 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2149 -1.1855 2.3531 2.5137 2.8169 2.9936 3.0020 3.4359 3.6214 4.1040 4.2923 4.4439 4.6904 4.8780 5.2951 5.5110 6.2269 6.4113 10.6453 10.6823 11.9042 11.9512 13.3876 13.5094 14.5537 14.6434 k = 0.4236 0.1323 0.6124 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2177 -1.1886 2.3391 2.4998 2.8352 2.9988 3.0137 3.4277 3.6419 4.0796 4.2920 4.4432 4.6715 4.8725 5.3223 5.5346 6.2500 6.4298 10.5541 10.5901 11.9168 11.9601 13.4883 13.6147 14.6056 14.7251 k = 0.4167 0.1443 0.6124 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2203 -1.1916 2.3269 2.4875 2.8516 3.0011 3.0271 3.4184 3.6648 4.0535 4.2915 4.4444 4.6536 4.8677 5.3464 5.5553 6.2737 6.4474 10.4722 10.5061 11.9273 11.9674 13.5912 13.7224 14.6356 14.7972 k = 0.4097 0.1564 0.6124 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2225 -1.1942 2.3164 2.4771 2.8656 3.0030 3.0395 3.4086 3.6895 4.0262 4.2909 4.4472 4.6370 4.8638 5.3672 5.5730 6.2970 6.4633 10.4010 10.4316 11.9358 11.9733 13.6954 13.8313 14.6383 14.8438 k = 0.4028 0.1684 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2245 -1.1964 2.3078 2.4685 2.8771 3.0047 3.0506 3.3992 3.7152 3.9984 4.2904 4.4511 4.6220 4.8605 5.3843 5.5874 6.3186 6.4770 10.3418 10.3680 11.9425 11.9779 13.7996 13.9394 14.6140 14.8440 k = 0.3958 0.1804 0.6124 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2260 -1.1981 2.3011 2.4618 2.8860 3.0062 3.0599 3.3908 3.7409 3.9710 4.2900 4.4553 4.6092 4.8580 5.3977 5.5985 6.3372 6.4880 10.2955 10.3163 11.9476 11.9814 13.9019 14.0429 14.5708 14.7949 k = 0.3889 0.1925 0.6124 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2271 -1.1994 2.2963 2.4569 2.8924 3.0073 3.0671 3.3841 3.7649 3.9459 4.2896 4.4593 4.5991 4.8563 5.4073 5.6064 6.3517 6.4959 10.2630 10.2775 11.9512 11.9838 13.9992 14.1325 14.5237 14.7170 k = 0.3819 0.2045 0.6124 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2278 -1.2002 2.2934 2.4540 2.8962 3.0080 3.0717 3.3798 3.7837 3.9264 4.2894 4.4621 4.5927 4.8552 5.4131 5.6111 6.3609 6.5007 10.2446 10.2525 11.9533 11.9852 14.0845 14.1861 14.4996 14.6328 k = 0.3750 0.2165 0.6124 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.3750 0.2165 0.6124 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.3678 0.2123 0.6006 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2383 -1.2102 2.3140 2.4874 2.8945 2.9938 3.0488 3.3842 3.7541 3.8892 4.2875 4.4527 4.5848 4.8936 5.4204 5.5978 6.4372 6.5776 10.2354 10.2406 12.0942 12.1385 14.0232 14.0780 14.4052 14.4734 k = 0.3606 0.2082 0.5888 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2499 -1.2214 2.3356 2.5201 2.8958 2.9781 3.0219 3.3893 3.7202 3.8622 4.2890 4.4429 4.5796 4.9334 5.4291 5.5841 6.5127 6.6551 10.2306 10.2379 12.2302 12.2897 13.9199 13.9677 14.3055 14.3686 k = 0.3534 0.2040 0.5770 ( 7970 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2629 -1.2342 2.3567 2.5499 2.9024 2.9611 2.9930 3.3936 3.6898 3.8380 4.2938 4.4338 4.5750 4.9739 5.4410 5.5721 6.5903 6.7346 10.2253 10.2348 12.3593 12.4371 13.8201 13.8602 14.2119 14.2675 k = 0.3462 0.1999 0.5653 ( 7964 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2774 -1.2485 2.3774 2.5753 2.9152 2.9428 2.9628 3.3973 3.6625 3.8170 4.3015 4.4255 4.5712 5.0146 5.4565 5.5627 6.6700 6.8160 10.2196 10.2312 12.4783 12.5780 13.7243 13.7557 14.1258 14.1708 k = 0.3389 0.1957 0.5535 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2934 -1.2646 2.3973 2.5954 2.9234 2.9253 2.9419 3.4004 3.6383 3.7995 4.3118 4.4179 4.5686 5.0548 5.4756 5.5567 6.7515 6.8991 10.2135 10.2272 12.5836 12.7093 13.6326 13.6542 14.0490 14.0793 k = 0.3317 0.1915 0.5417 ( 7974 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3109 -1.2824 2.4164 2.6095 2.8963 2.9030 2.9672 3.4030 3.6168 3.7854 4.3242 4.4113 4.5678 5.0936 5.4985 5.5554 6.8347 6.9839 10.2069 10.2227 12.6713 12.8275 13.5451 13.5558 13.9833 13.9939 k = 0.3245 0.1874 0.5299 ( 7958 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3301 -1.3019 2.4343 2.6182 2.8638 2.8819 3.0031 3.4052 3.5977 3.7747 4.3377 4.4056 4.5700 5.1298 5.5252 5.5602 6.9195 7.0702 10.1998 10.2177 12.7374 12.9285 13.4607 13.4616 13.9157 13.9307 k = 0.3173 0.1832 0.5182 ( 7952 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3509 -1.3232 2.4511 2.6224 2.8314 2.8604 3.0454 3.4070 3.5807 3.7670 4.3509 4.4009 4.5767 5.1623 5.5560 5.5726 7.0058 7.1580 10.1923 10.2123 12.7797 13.0082 13.3689 13.3816 13.8456 13.8921 k = 0.3101 0.1790 0.5064 ( 7958 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3733 -1.3463 2.4665 2.6229 2.7998 2.8387 3.0925 3.4085 3.5655 3.7622 4.3620 4.3972 4.5898 5.1900 5.5908 5.5941 7.0934 7.2471 10.1842 10.2064 12.7978 13.0627 13.2809 13.3045 13.7843 13.8668 k = 0.3029 0.1749 0.4946 ( 7954 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3973 -1.3711 2.4806 2.6208 2.7693 2.8173 3.1432 3.4096 3.5519 3.7598 4.3695 4.3945 4.6111 5.2126 5.6254 5.6296 7.1823 7.3375 10.1757 10.1999 12.7944 13.0895 13.1979 13.2294 13.7313 13.8517 k = 0.2957 0.1707 0.4828 ( 7958 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4230 -1.3976 2.4933 2.6168 2.7404 2.7963 3.1962 3.4105 3.5396 3.7595 4.3725 4.3928 4.6417 5.2308 5.6662 5.6726 7.2722 7.4289 10.1666 10.1930 12.7740 13.0805 13.1292 13.1557 13.6841 13.8422 k = 0.2885 0.1665 0.4711 ( 7960 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4501 -1.4257 2.5045 2.6111 2.7134 2.7762 3.2506 3.4111 3.5286 3.7610 4.3711 4.3920 4.6816 5.2460 5.7157 5.7197 7.3631 7.5213 10.1570 10.1855 12.7418 13.0211 13.0830 13.0935 13.6385 13.8337 k = 0.2812 0.1624 0.4593 ( 7968 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4788 -1.4554 2.5142 2.6040 2.6888 2.7571 3.3054 3.4114 3.5189 3.7641 4.3661 4.3921 4.7303 5.2599 5.7709 5.7728 7.4547 7.6144 10.1468 10.1776 12.7019 12.9481 13.0113 13.0592 13.5902 13.8217 k = 0.2740 0.1582 0.4475 ( 7960 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.5088 -1.4865 2.5225 2.5957 2.6668 2.7392 3.3591 3.4113 3.5109 3.7684 4.3582 4.3929 4.7869 5.2743 5.8261 5.8363 7.5470 7.7083 10.1361 10.1690 12.6578 12.8758 12.9406 13.0171 13.5360 13.7998 k = 0.2668 0.1541 0.4357 ( 7962 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5402 -1.5191 2.5294 2.5860 2.6478 2.7227 3.4092 3.4109 3.5065 3.7739 4.3483 4.3943 4.8508 5.2907 5.8853 5.9053 7.6397 7.8027 10.1248 10.1599 12.6119 12.8056 12.8709 12.9692 13.4746 13.7462 k = 0.2596 0.1499 0.4240 ( 7964 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5728 -1.5528 2.5348 2.5750 2.6319 2.7077 3.4101 3.4469 3.5137 3.7804 4.3370 4.3961 4.9213 5.3106 5.9484 5.9792 7.7328 7.8974 10.1130 10.1503 12.5657 12.7378 12.8022 12.9179 13.4066 13.6490 k = 0.2524 0.1457 0.4122 ( 7964 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.6065 -1.5877 2.5390 2.5631 2.6188 2.6942 3.4089 3.4592 3.5449 3.7878 4.3247 4.3981 4.9980 5.3352 6.0155 6.0574 7.8260 7.9922 10.1006 10.1401 12.5205 12.6721 12.7346 12.8647 13.3340 13.5408 k = 0.2452 0.1416 0.4004 ( 7958 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6412 -1.6236 2.5419 2.5508 2.6080 2.6823 3.4073 3.4571 3.5887 3.7961 4.3118 4.3999 5.0804 5.3656 6.0864 6.1396 7.9191 8.0870 10.0877 10.1294 12.4769 12.6082 12.6679 12.8103 13.2593 13.4334 k = 0.2380 0.1374 0.3886 ( 7950 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6767 -1.6604 2.5389 2.5436 2.5989 2.6718 3.4053 3.4512 3.6338 3.8052 4.2986 4.4013 5.1682 5.4026 6.1611 6.2254 8.0120 8.1816 10.0743 10.1182 12.4354 12.5455 12.6018 12.7555 13.1853 13.3293 k = 0.2308 0.1332 0.3768 ( 7962 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.7129 -1.6978 2.5278 2.5444 2.5909 2.6627 3.4029 3.4442 3.6775 3.8151 4.2853 4.4020 5.2611 5.4469 6.2396 6.3147 8.1044 8.2756 10.0604 10.1064 12.3961 12.4832 12.5363 12.7006 13.1142 13.2300 k = 0.2236 0.1291 0.3651 ( 7966 PWs) bands (ev): -38.2365 -38.2365 -37.8916 -37.8915 -1.7497 -1.7357 2.5178 2.5444 2.5837 2.6547 3.4000 3.4368 3.7188 3.8257 4.2721 4.4018 5.3587 5.4989 6.3218 6.4072 8.1961 8.3690 10.0461 10.0941 12.3591 12.4205 12.4710 12.6461 13.0483 13.1364 k = 0.2163 0.1249 0.3533 ( 7956 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.7869 -1.7741 2.5089 2.5437 2.5772 2.6478 3.3968 3.4292 3.7574 3.8370 4.2592 4.4007 5.4607 5.5590 6.4076 6.5030 8.2868 8.4613 10.0315 10.0813 12.3238 12.3562 12.4060 12.5927 12.9889 13.0494 k = 0.2091 0.1207 0.3415 ( 7960 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8244 -1.8127 2.5012 2.5426 2.5711 2.6417 3.3933 3.4217 3.7932 3.8490 4.2468 4.3984 5.5670 5.6271 6.4969 6.6019 8.3763 8.5523 10.0165 10.0681 12.2883 12.2896 12.3427 12.5411 12.9370 12.9698 k = 0.2019 0.1166 0.3297 ( 7960 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8621 -1.8514 2.4947 2.5412 2.5654 2.6361 3.3894 3.4141 3.8264 3.8617 4.2348 4.3949 5.6772 5.7030 6.5899 6.7037 8.4643 8.6418 10.0012 10.0545 12.2200 12.2449 12.2881 12.4919 12.8930 12.8987 k = 0.1947 0.1124 0.3180 ( 7940 PWs) bands (ev): -38.2366 -38.2366 -37.8915 -37.8915 -1.8997 -1.8900 2.4894 2.5397 2.5600 2.6310 3.3853 3.4067 3.8570 3.8750 4.2235 4.3905 5.7866 5.7911 6.6862 6.8084 8.5506 8.7294 9.9858 10.0405 12.1475 12.1849 12.2502 12.4454 12.8367 12.8567 k = 0.1875 0.1083 0.3062 ( 7950 PWs) bands (ev): -38.2366 -38.2366 -37.8915 -37.8914 -1.9372 -1.9285 2.4850 2.5381 2.5550 2.6261 3.3810 3.3995 3.8852 3.8888 4.2129 4.3850 5.8774 5.9084 6.7860 6.9159 8.6348 8.8148 9.9702 10.0262 12.0724 12.1163 12.2205 12.4014 12.7846 12.8278 k = 0.1803 0.1041 0.2944 ( 7954 PWs) bands (ev): -38.2366 -38.2366 -37.8914 -37.8914 -1.9744 -1.9666 2.4817 2.5365 2.5502 2.6213 3.3765 3.3924 3.9032 3.9114 4.2031 4.3787 5.9750 6.0289 6.8892 7.0261 8.7167 8.8976 9.9547 10.0117 11.9954 12.0446 12.1932 12.3593 12.7428 12.8059 k = 0.1731 0.0999 0.2826 ( 7958 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0111 -2.0042 2.4791 2.5350 2.5456 2.6166 3.3720 3.3855 3.9179 3.9357 4.1941 4.3717 6.0788 6.1524 6.9955 7.1389 8.7959 8.9776 9.9392 9.9969 11.9174 11.9712 12.1662 12.3184 12.7116 12.7896 k = 0.1659 0.0958 0.2709 ( 7948 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0473 -2.0412 2.4773 2.5336 2.5413 2.6118 3.3675 3.3789 3.9330 3.9584 4.1860 4.3641 6.1884 6.2786 7.1051 7.2542 8.8723 9.0543 9.9238 9.9819 11.8391 11.8972 12.1386 12.2777 12.6912 12.7757 k = 0.1587 0.0916 0.2591 ( 7952 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0829 -2.0775 2.4762 2.5323 2.5372 2.6070 3.3630 3.3727 3.9484 3.9796 4.1787 4.3561 6.3033 6.4073 7.2177 7.3718 8.9455 9.1275 9.9087 9.9669 11.7612 11.8231 12.1098 12.2362 12.6812 12.7523 k = 0.1514 0.0874 0.2473 ( 7936 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1176 -2.1129 2.4755 2.5310 2.5334 2.6021 3.3586 3.3667 3.9639 3.9994 4.1724 4.3478 6.4230 6.5382 7.3332 7.4917 9.0153 9.1969 9.8940 9.9518 11.6842 11.7497 12.0793 12.1931 12.6809 12.7059 k = 0.1442 0.0833 0.2355 ( 7940 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1515 -2.1474 2.4754 2.5297 2.5297 2.5970 3.3544 3.3612 3.9796 4.0181 4.1670 4.3393 6.5471 6.6711 7.4515 7.6136 9.0814 9.2622 9.8798 9.9368 11.6086 11.6773 12.0469 12.1479 12.6475 12.6888 k = 0.1370 0.0791 0.2238 ( 7932 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1843 -2.1808 2.4755 2.5263 2.5285 2.5919 3.3504 3.3560 3.9953 4.0358 4.1624 4.3307 6.6752 6.8057 7.5725 7.7375 9.1437 9.3230 9.8662 9.9219 11.5347 11.6064 12.0126 12.1001 12.5864 12.6993 k = 0.1298 0.0749 0.2120 ( 7932 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.2161 -2.2131 2.4760 2.5230 2.5273 2.5867 3.3466 3.3512 4.0109 4.0525 4.1588 4.3220 6.8068 6.9418 7.6959 7.8630 9.2020 9.3792 9.8533 9.9071 11.4627 11.5373 11.9766 12.0497 12.5246 12.6854 k = 0.1226 0.0708 0.2002 ( 7932 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2466 -2.2441 2.4766 2.5200 2.5261 2.5813 3.3431 3.3469 4.0264 4.0682 4.1559 4.3135 6.9415 7.0791 7.8216 7.9899 9.2561 9.4306 9.8414 9.8927 11.3930 11.4704 11.9388 11.9968 12.4620 12.6183 k = 0.1154 0.0666 0.1884 ( 7932 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2758 -2.2737 2.4775 2.5172 2.5248 2.5759 3.3399 3.3430 4.0417 4.0831 4.1539 4.3050 7.0791 7.2173 7.9492 8.1180 9.3060 9.4770 9.8307 9.8786 11.3254 11.4057 11.8993 11.9418 12.3977 12.5299 k = 0.1082 0.0625 0.1766 ( 7936 PWs) bands (ev): -38.2369 -38.2369 -37.8912 -37.8912 -2.3037 -2.3020 2.4784 2.5146 2.5235 2.5705 3.3371 3.3395 4.0566 4.0971 4.1527 4.2966 7.2189 7.3561 8.0784 8.2468 9.3516 9.5181 9.8214 9.8650 11.2602 11.3434 11.8584 11.8852 12.3305 12.4332 k = 0.1010 0.0583 0.1649 ( 7940 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3301 -2.3287 2.4794 2.5123 2.5221 2.5651 3.3346 3.3365 4.0711 4.1103 4.1522 4.2884 7.3608 7.4952 8.2090 8.3760 9.3929 9.5538 9.8139 9.8520 11.1972 11.2834 11.8160 11.8276 12.2593 12.3305 k = 0.0938 0.0541 0.1531 ( 7920 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3550 -2.3539 2.4805 2.5101 2.5207 2.5597 3.3324 3.3339 4.0852 4.1226 4.1524 4.2805 7.5041 7.6340 8.3404 8.5051 9.4299 9.5839 9.8084 9.8397 11.1363 11.2256 11.7697 11.7722 12.1834 12.2230 k = 0.0865 0.0500 0.1413 ( 7916 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3783 -2.3774 2.4817 2.5082 2.5192 2.5543 3.3305 3.3316 4.0986 4.1341 4.1532 4.2727 7.6485 7.7722 8.4721 8.6335 9.4627 9.6083 9.8055 9.8284 11.0774 11.1696 11.7120 11.7272 12.1021 12.1116 k = 0.0793 0.0458 0.1295 ( 7906 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3999 -2.3993 2.4828 2.5065 2.5177 2.5490 3.3289 3.3297 4.1114 4.1447 4.1547 4.2651 7.7932 7.9092 8.6035 8.7604 9.4914 9.6270 9.8054 9.8183 11.0201 11.1148 11.6551 11.6811 11.9978 12.0157 k = 0.0721 0.0416 0.1178 ( 7906 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.4199 -2.4194 2.4840 2.5051 2.5161 2.5438 3.3275 3.3282 4.1235 4.1544 4.1567 4.2578 7.9377 8.0443 8.7338 8.8851 9.5160 9.6404 9.8080 9.8097 10.9640 11.0603 11.5994 11.6338 11.8832 11.9249 k = 0.0649 0.0375 0.1060 ( 7902 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4381 -2.4377 2.4853 2.5039 2.5145 2.5388 3.3265 3.3269 4.1347 4.1593 4.1632 4.2506 8.0811 8.1767 8.8620 9.0061 9.5369 9.6496 9.8028 9.8128 10.9087 11.0050 11.5456 11.5857 11.7705 11.8308 k = 0.0577 0.0333 0.0942 ( 7898 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4545 -2.4542 2.4867 2.5029 2.5129 2.5339 3.3256 3.3259 4.1450 4.1624 4.1710 4.2437 8.2223 8.3055 8.9867 9.1219 9.5548 9.6560 9.7981 9.8191 10.8535 10.9471 11.4943 11.5369 11.6628 11.7353 k = 0.0505 0.0291 0.0824 ( 7890 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4691 -2.4689 2.4881 2.5021 2.5114 2.5292 3.3249 3.3251 4.1542 4.1662 4.1777 4.2370 8.3599 8.4294 9.1059 9.2296 9.5712 9.6616 9.7960 9.8261 10.7977 10.8848 11.4460 11.4878 11.5637 11.6409 k = 0.0433 0.0250 0.0707 ( 7889 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4818 -2.4817 2.4897 2.5016 2.5099 2.5247 3.3244 3.3246 4.1621 4.1706 4.1835 4.2304 8.4920 8.5468 9.2163 9.3246 9.5898 9.6691 9.7966 9.8330 10.7407 10.8165 11.4015 11.4387 11.4771 11.5503 k = 0.0361 0.0208 0.0589 ( 7887 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4926 -2.4925 2.4913 2.5013 2.5084 2.5204 3.3241 3.3241 4.1686 4.1757 4.1882 4.2241 8.6160 8.6559 9.3128 9.3986 9.6179 9.6825 9.8000 9.8391 10.6822 10.7421 11.3615 11.3892 11.4072 11.4669 k = 0.0288 0.0167 0.0471 ( 7885 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5014 -2.5014 2.4932 2.5012 2.5070 2.5164 3.3238 3.3238 4.1742 4.1810 4.1918 4.2180 8.7286 8.7541 9.3879 9.4432 9.6627 9.7072 9.8059 9.8439 10.6227 10.6637 11.3269 11.3404 11.3559 11.3939 k = 0.0216 0.0125 0.0353 ( 7885 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5084 -2.5083 2.4953 2.5013 2.5058 2.5126 3.3236 3.3236 4.1794 4.1859 4.1943 4.2120 8.8251 8.8385 9.4359 9.4621 9.7201 9.7460 9.8138 9.8468 10.5639 10.5864 11.2982 11.3011 11.3156 11.3346 k = 0.0144 0.0083 0.0236 ( 7865 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5133 -2.5133 2.4975 2.5016 2.5046 2.5090 3.3235 3.3235 4.1845 4.1899 4.1957 4.2062 8.9001 8.9048 9.4590 9.4673 9.7765 9.7913 9.8229 9.8472 10.5102 10.5187 11.2747 11.2764 11.2843 11.2913 k = 0.0072 0.0042 0.0118 ( 7857 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5163 -2.5163 2.5000 2.5021 2.5036 2.5058 3.3234 3.3234 4.1897 4.1930 4.1959 4.2005 8.9477 8.9484 9.4667 9.4677 9.8196 9.8273 9.8320 9.8448 10.4700 10.4713 11.2603 11.2623 11.2637 11.2653 k = 0.0000 0.0000 0.0000 ( 7823 PWs) bands (ev): -38.2371 -38.2371 -37.8910 -37.8910 -2.5173 -2.5173 2.5028 2.5028 2.5028 2.5028 3.3234 3.3234 4.1950 4.1950 4.1950 4.1950 8.9639 8.9639 9.4678 9.4678 9.8390 9.8390 9.8390 9.8390 10.4543 10.4543 11.2566 11.2566 11.2566 11.2566 k = 0.0000 0.0000 0.0000 ( 7823 PWs) bands (ev): -38.2371 -38.2371 -37.8910 -37.8910 -2.5173 -2.5173 2.5028 2.5028 2.5028 2.5028 3.3234 3.3234 4.1950 4.1950 4.1950 4.1950 8.9639 8.9639 9.4678 9.4678 9.8390 9.8390 9.8390 9.8390 10.4543 10.4543 11.2566 11.2566 11.2566 11.2566 k = 0.0116 0.0067 0.0047 ( 7853 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5163 -2.5163 2.5000 2.5029 2.5029 2.5058 3.3234 3.3234 4.1896 4.1944 4.1944 4.2007 8.9484 8.9484 9.4673 9.4673 9.8261 9.8276 9.8276 9.8430 10.4703 10.4703 11.2601 11.2627 11.2641 11.2641 k = 0.0233 0.0134 0.0095 ( 7874 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5134 -2.5134 2.4974 2.5031 2.5031 2.5091 3.3235 3.3235 4.1845 4.1927 4.1927 4.2065 8.9032 8.9032 9.4650 9.4650 9.7976 9.7976 9.8046 9.8379 10.5136 10.5136 11.2733 11.2780 11.2865 11.2865 k = 0.0349 0.0201 0.0142 ( 7886 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5086 -2.5086 2.4952 2.5035 2.5035 2.5127 3.3236 3.3236 4.1796 4.1897 4.1897 4.2126 8.8317 8.8317 9.4586 9.4586 9.7582 9.7582 9.7753 9.8242 10.5746 10.5746 11.2955 11.3015 11.3236 11.3236 k = 0.0465 0.0269 0.0190 ( 7883 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.5018 -2.5018 2.4932 2.5040 2.5040 2.5164 3.3238 3.3238 4.1751 4.1856 4.1856 4.2189 8.7379 8.7379 9.4453 9.4453 9.7176 9.7176 9.7393 9.8026 10.6446 10.6446 11.3258 11.3320 11.3749 11.3749 k = 0.0581 0.0336 0.0237 ( 7886 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4932 -2.4932 2.4915 2.5047 2.5047 2.5203 3.3241 3.3241 4.1710 4.1804 4.1804 4.2254 8.6262 8.6262 9.4233 9.4233 9.6807 9.6807 9.6975 9.7740 10.7175 10.7175 11.3629 11.3682 11.4395 11.4395 k = 0.0698 0.0403 0.0285 ( 7904 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4826 -2.4826 2.4901 2.5054 2.5054 2.5244 3.3245 3.3245 4.1672 4.1740 4.1740 4.2320 8.5003 8.5003 9.3921 9.3921 9.6496 9.6496 9.6511 9.7396 10.7899 10.7899 11.4051 11.4085 11.5162 11.5162 k = 0.0814 0.0470 0.0332 ( 7904 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4702 -2.4702 2.4889 2.5063 2.5063 2.5285 3.3251 3.3251 4.1639 4.1666 4.1666 4.2389 8.3635 8.3635 9.3527 9.3527 9.6010 9.6240 9.6240 9.7004 10.8599 10.8599 11.4509 11.4514 11.6036 11.6036 k = 0.0930 0.0537 0.0380 ( 7904 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4560 -2.4560 2.4880 2.5073 2.5073 2.5328 3.3259 3.3259 4.1582 4.1582 4.1610 4.2459 8.2185 8.2185 9.3070 9.3070 9.5481 9.6024 9.6024 9.6572 10.9266 10.9266 11.4955 11.4986 11.6998 11.6998 k = 0.1047 0.0604 0.0427 ( 7913 PWs) bands (ev): -38.2371 -38.2371 -37.8911 -37.8911 -2.4400 -2.4400 2.4874 2.5084 2.5084 2.5371 3.3268 3.3268 4.1487 4.1487 4.1587 4.2531 8.0674 8.0674 9.2570 9.2570 9.4930 9.5832 9.5832 9.6109 10.9897 10.9897 11.5392 11.5464 11.8035 11.8035 k = 0.1163 0.0671 0.0475 ( 7919 PWs) bands (ev): -38.2371 -38.2371 -37.8912 -37.8912 -2.4223 -2.4223 2.4870 2.5095 2.5095 2.5414 3.3281 3.3281 4.1382 4.1382 4.1570 4.2604 7.9120 7.9120 9.2040 9.2040 9.4365 9.5623 9.5653 9.5653 11.0490 11.0490 11.5813 11.5925 11.9131 11.9131 k = 0.1279 0.0738 0.0522 ( 7925 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.4029 -2.4029 2.4869 2.5107 2.5107 2.5457 3.3297 3.3297 4.1269 4.1269 4.1559 4.2680 7.7538 7.7538 9.1490 9.1490 9.3789 9.5118 9.5482 9.5482 11.1043 11.1043 11.6202 11.6354 12.0274 12.0274 k = 0.1395 0.0806 0.0570 ( 7934 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3818 -2.3818 2.4869 2.5119 2.5119 2.5500 3.3315 3.3315 4.1146 4.1146 4.1554 4.2757 7.5938 7.5938 9.0926 9.0926 9.3208 9.4601 9.5315 9.5315 11.1554 11.1554 11.6547 11.6735 12.1456 12.1456 k = 0.1512 0.0873 0.0617 ( 7940 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3592 -2.3592 2.4872 2.5132 2.5132 2.5541 3.3338 3.3338 4.1015 4.1015 4.1556 4.2836 7.4330 7.4330 9.0354 9.0354 9.2625 9.4074 9.5151 9.5151 11.2021 11.2021 11.6838 11.7052 12.2670 12.2670 k = 0.1628 0.0940 0.0665 ( 7955 PWs) bands (ev): -38.2370 -38.2370 -37.8912 -37.8912 -2.3350 -2.3350 2.4877 2.5146 2.5146 2.5581 3.3363 3.3363 4.0876 4.0876 4.1566 4.2916 7.2722 7.2722 8.9777 8.9777 9.2042 9.3541 9.4990 9.4990 11.2440 11.2440 11.7066 11.7295 12.3908 12.3908 k = 0.1744 0.1007 0.0712 ( 7943 PWs) bands (ev): -38.2369 -38.2369 -37.8912 -37.8912 -2.3094 -2.3094 2.4884 2.5160 2.5160 2.5618 3.3393 3.3393 4.0729 4.0729 4.1584 4.2998 7.1121 7.1121 8.9197 8.9197 9.1463 9.3004 9.4833 9.4833 11.2807 11.2807 11.7225 11.7457 12.5167 12.5167 k = 0.1860 0.1074 0.0760 ( 7946 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2825 -2.2825 2.4892 2.5175 2.5175 2.5654 3.3426 3.3426 4.0574 4.0574 4.1609 4.3082 6.9534 6.9534 8.8617 8.8617 9.0889 9.2467 9.4680 9.4680 11.3122 11.3122 11.7313 11.7534 12.6441 12.6441 k = 0.1977 0.1141 0.0807 ( 7940 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2543 -2.2543 2.4902 2.5192 2.5192 2.5687 3.3463 3.3463 4.0412 4.0412 4.1644 4.3167 6.7966 6.7966 8.8037 8.8037 9.0322 9.1930 9.4531 9.4531 11.3382 11.3382 11.7331 11.7530 12.7725 12.7725 k = 0.2093 0.1208 0.0854 ( 7946 PWs) bands (ev): -38.2369 -38.2369 -37.8913 -37.8913 -2.2250 -2.2250 2.4913 2.5211 2.5211 2.5717 3.3503 3.3503 4.0242 4.0242 4.1687 4.3254 6.6421 6.6421 8.7461 8.7461 8.9764 9.1396 9.4388 9.4388 11.3589 11.3589 11.7282 11.7451 12.9015 12.9015 k = 0.2209 0.1276 0.0902 ( 7946 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1946 -2.1946 2.4925 2.5231 2.5231 2.5744 3.3546 3.3546 4.0066 4.0066 4.1738 4.3341 6.4906 6.4906 8.6889 8.6889 8.9216 9.0866 9.4250 9.4250 11.3744 11.3744 11.7172 11.7304 13.0302 13.0302 k = 0.2326 0.1343 0.0949 ( 7964 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1632 -2.1632 2.4939 2.5255 2.5255 2.5768 3.3592 3.3592 3.9881 3.9881 4.1799 4.3429 6.3424 6.3424 8.6324 8.6324 8.8680 9.0340 9.4119 9.4119 11.3850 11.3850 11.7010 11.7101 13.1579 13.1579 k = 0.2442 0.1410 0.0997 ( 7958 PWs) bands (ev): -38.2368 -38.2368 -37.8913 -37.8913 -2.1311 -2.1311 2.4953 2.5282 2.5282 2.5788 3.3638 3.3638 3.9689 3.9689 4.1868 4.3518 6.1980 6.1980 8.5766 8.5766 8.8157 8.9821 9.3994 9.3994 11.3911 11.3911 11.6804 11.6853 13.2834 13.2834 k = 0.2558 0.1477 0.1044 ( 7958 PWs) bands (ev): -38.2368 -38.2368 -37.8914 -37.8914 -2.0983 -2.0983 2.4969 2.5314 2.5314 2.5804 3.3685 3.3685 3.9489 3.9489 4.1945 4.3606 6.0579 6.0579 8.5217 8.5217 8.7649 8.9309 9.3876 9.3876 11.3934 11.3934 11.6562 11.6570 13.4050 13.4050 k = 0.2674 0.1544 0.1092 ( 7964 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0650 -2.0650 2.4985 2.5351 2.5351 2.5816 3.3732 3.3732 3.9279 3.9279 4.2031 4.3694 5.9225 5.9225 8.4678 8.4678 8.7156 8.8805 9.3765 9.3765 11.3922 11.3922 11.6262 11.6292 13.5203 13.5203 k = 0.2791 0.1611 0.1139 ( 7964 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -2.0314 -2.0314 2.5002 2.5394 2.5394 2.5824 3.3776 3.3776 3.9060 3.9060 4.2125 4.3781 5.7922 5.7922 8.4151 8.4151 8.6679 8.8311 9.3661 9.3661 11.3882 11.3882 11.5938 11.6002 13.6262 13.6262 k = 0.2907 0.1678 0.1187 ( 7955 PWs) bands (ev): -38.2367 -38.2367 -37.8914 -37.8914 -1.9976 -1.9976 2.5019 2.5445 2.5445 2.5829 3.3817 3.3817 3.8831 3.8831 4.2227 4.3866 5.6676 5.6676 8.3638 8.3638 8.6221 8.7828 9.3564 9.3564 11.3818 11.3818 11.5604 11.5699 13.7187 13.7187 k = 0.3023 0.1745 0.1234 ( 7967 PWs) bands (ev): -38.2366 -38.2366 -37.8914 -37.8914 -1.9638 -1.9638 2.5038 2.5503 2.5503 2.5829 3.3853 3.3853 3.8590 3.8590 4.2335 4.3949 5.5491 5.5491 8.3140 8.3140 8.5781 8.7356 9.3473 9.3473 11.3737 11.3737 11.5268 11.5389 13.7948 13.7948 k = 0.3140 0.1813 0.1282 ( 7961 PWs) bands (ev): -38.2366 -38.2366 -37.8915 -37.8915 -1.9301 -1.9301 2.5057 2.5572 2.5572 2.5826 3.3881 3.3881 3.8339 3.8339 4.2450 4.4029 5.4372 5.4372 8.2659 8.2659 8.5362 8.6897 9.3389 9.3389 11.3641 11.3641 11.4934 11.5077 13.8541 13.8541 k = 0.3256 0.1880 0.1329 ( 7955 PWs) bands (ev): -38.2366 -38.2366 -37.8915 -37.8915 -1.8969 -1.8969 2.5076 2.5651 2.5651 2.5819 3.3899 3.3899 3.8076 3.8076 4.2570 4.4105 5.3323 5.3323 8.2196 8.2196 8.4965 8.6451 9.3312 9.3312 11.3537 11.3537 11.4608 11.4767 13.8989 13.8989 k = 0.3372 0.1947 0.1377 ( 7949 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8643 -1.8643 2.5097 2.5741 2.5741 2.5809 3.3904 3.3904 3.7803 3.7803 4.2694 4.4177 5.2348 5.2348 8.1753 8.1753 8.4591 8.6022 9.3241 9.3241 11.3426 11.3426 11.4292 11.4463 13.9327 13.9327 k = 0.3488 0.2014 0.1424 ( 7967 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8325 -1.8325 2.5118 2.5796 2.5844 2.5844 3.3890 3.3890 3.7522 3.7522 4.2822 4.4243 5.1450 5.1450 8.1331 8.1331 8.4240 8.5608 9.3176 9.3176 11.3313 11.3313 11.3991 11.4168 13.9588 13.9588 k = 0.3605 0.2081 0.1472 ( 7975 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.8018 -1.8018 2.5140 2.5780 2.5960 2.5960 3.3854 3.3854 3.7239 3.7239 4.2952 4.4303 5.0633 5.0633 8.0932 8.0932 8.3916 8.5213 9.3117 9.3117 11.3200 11.3200 11.3706 11.3886 13.9795 13.9795 k = 0.3721 0.2148 0.1519 ( 7963 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.7724 -1.7724 2.5162 2.5761 2.6090 2.6090 3.3788 3.3788 3.6960 3.6960 4.3084 4.4356 4.9897 4.9897 8.0558 8.0558 8.3617 8.4837 9.3064 9.3064 11.3089 11.3089 11.3439 11.3619 13.9962 13.9962 k = 0.3837 0.2215 0.1567 ( 7960 PWs) bands (ev): -38.2365 -38.2365 -37.8915 -37.8915 -1.7446 -1.7446 2.5185 2.5739 2.6235 2.6235 3.3687 3.3687 3.6694 3.6694 4.3216 4.4401 4.9243 4.9243 8.0210 8.0210 8.3347 8.4481 9.3016 9.3016 11.2983 11.2983 11.3193 11.3368 14.0101 14.0101 k = 0.3953 0.2283 0.1614 ( 7960 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.7185 -1.7185 2.5209 2.5716 2.6393 2.6393 3.3543 3.3543 3.6450 3.6450 4.3347 4.4437 4.8668 4.8668 7.9891 7.9891 8.3105 8.4148 9.2973 9.2973 11.2882 11.2882 11.2969 11.3136 14.0217 14.0217 k = 0.4070 0.2350 0.1661 ( 7978 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6944 -1.6944 2.5234 2.5691 2.6565 2.6565 3.3355 3.3355 3.6239 3.6239 4.3475 4.4465 4.8171 4.8171 7.9600 7.9600 8.2893 8.3837 9.2936 9.2936 11.2767 11.2789 11.2789 11.2923 14.0315 14.0315 k = 0.4186 0.2417 0.1709 ( 7972 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6725 -1.6725 2.5259 2.5664 2.6749 2.6749 3.3124 3.3124 3.6065 3.6065 4.3601 4.4482 4.7748 4.7748 7.9340 7.9340 8.2711 8.3552 9.2903 9.2903 11.2589 11.2705 11.2705 11.2731 14.0397 14.0397 k = 0.4302 0.2484 0.1756 ( 7975 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6530 -1.6530 2.5285 2.5636 2.6940 2.6940 3.2860 3.2860 3.5927 3.5927 4.3722 4.4488 4.7394 4.7394 7.9112 7.9112 8.2561 8.3293 9.2875 9.2875 11.2435 11.2562 11.2631 11.2631 14.0466 14.0466 k = 0.4419 0.2551 0.1804 ( 7975 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6362 -1.6362 2.5312 2.5607 2.7136 2.7136 3.2578 3.2578 3.5824 3.5824 4.3837 4.4484 4.7105 4.7105 7.8917 7.8917 8.2444 8.3061 9.2852 9.2852 11.2306 11.2415 11.2566 11.2566 14.0523 14.0523 k = 0.4535 0.2618 0.1851 ( 7969 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6222 -1.6222 2.5340 2.5578 2.7326 2.7326 3.2297 3.2297 3.5748 3.5748 4.3945 4.4468 4.6875 4.6875 7.8756 7.8756 8.2359 8.2857 9.2833 9.2833 11.2203 11.2292 11.2513 11.2513 14.0569 14.0569 k = 0.4651 0.2685 0.1899 ( 7981 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6111 -1.6111 2.5368 2.5548 2.7501 2.7501 3.2040 3.2040 3.5696 3.5696 4.4045 4.4441 4.6702 4.6702 7.8629 7.8629 8.2306 8.2683 9.2819 9.2819 11.2125 11.2192 11.2471 11.2471 14.0604 14.0604 k = 0.4767 0.2752 0.1946 ( 7990 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.6031 -1.6031 2.5397 2.5517 2.7646 2.7646 3.1830 3.1830 3.5661 3.5661 4.4137 4.4403 4.6580 4.6580 7.8539 7.8539 8.2287 8.2540 9.2808 9.2808 11.2072 11.2118 11.2440 11.2440 14.0629 14.0629 k = 0.4884 0.2820 0.1994 ( 7990 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5983 -1.5983 2.5427 2.5487 2.7743 2.7743 3.1691 3.1691 3.5641 3.5641 4.4219 4.4353 4.6508 4.6508 7.8484 7.8484 8.2301 8.2428 9.2802 9.2802 11.2045 11.2068 11.2422 11.2422 14.0644 14.0644 k = 0.5000 0.2887 0.2041 ( 7954 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5967 -1.5967 2.5457 2.5457 2.7777 2.7777 3.1643 3.1643 3.5635 3.5635 4.4291 4.4291 4.6485 4.6485 7.8466 7.8466 8.2349 8.2349 9.2800 9.2800 11.2044 11.2044 11.2416 11.2416 14.0649 14.0649 k = 0.5000 0.2887 0.2041 ( 7954 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5967 -1.5967 2.5457 2.5457 2.7777 2.7777 3.1643 3.1643 3.5635 3.5635 4.4291 4.4291 4.6485 4.6485 7.8466 7.8466 8.2349 8.2349 9.2800 9.2800 11.2044 11.2044 11.2416 11.2416 14.0649 14.0649 k = 0.5042 0.2766 0.2109 ( 7982 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5967 -1.5952 2.5458 2.5458 2.7740 2.7815 3.1558 3.1735 3.5626 3.5644 4.4292 4.4292 4.6413 4.6554 7.8309 7.8428 8.2215 8.2222 9.2941 9.2990 11.2045 11.2051 11.2462 11.2535 14.0646 14.0729 k = 0.5083 0.2646 0.2177 ( 7990 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5951 -1.5922 2.5460 2.5463 2.7706 2.7852 3.1484 3.1836 3.5617 3.5654 4.4293 4.4293 4.6339 4.6622 7.7946 7.8203 8.1838 8.1888 9.3390 9.3469 11.2068 11.2097 11.2660 11.2788 14.0722 14.0886 k = 0.5125 0.2526 0.2245 ( 7982 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5921 -1.5877 2.5462 2.5472 2.7677 2.7888 3.1418 3.1942 3.5607 3.5666 4.4294 4.4295 4.6262 4.6689 7.7371 7.7793 8.1287 8.1430 9.4073 9.4159 11.2142 11.2201 11.2982 11.3155 14.0874 14.1113 k = 0.5167 0.2406 0.2313 ( 7974 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5876 -1.5818 2.5462 2.5486 2.7654 2.7920 3.1364 3.2054 3.5595 3.5682 4.4297 4.4297 4.6183 4.6757 7.6597 7.7200 8.0645 8.0916 9.4907 9.4977 11.2281 11.2374 11.3417 11.3629 14.1098 14.1401 k = 0.5208 0.2285 0.2381 ( 7966 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5816 -1.5744 2.5460 2.5505 2.7638 2.7947 3.1319 3.2170 3.5582 3.5702 4.4299 4.4301 4.6100 4.6824 7.5656 7.6435 7.9970 8.0381 9.5816 9.5858 11.2493 11.2621 11.3958 11.4204 14.1386 14.1738 k = 0.5250 0.2165 0.2449 ( 7962 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5742 -1.5656 2.5452 2.5530 2.7633 2.7969 3.1285 3.2289 3.5567 3.5729 4.4302 4.4305 4.6015 4.6893 7.4589 7.5526 7.9292 7.9831 9.6746 9.6749 11.2785 11.2954 11.4600 11.4875 14.1725 14.2107 k = 0.5292 0.2045 0.2518 ( 7958 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5655 -1.5554 2.5437 2.5560 2.7638 2.7984 3.1260 3.2409 3.5552 3.5764 4.4305 4.4310 4.5927 4.6965 7.3436 7.4506 7.8615 7.9265 9.7613 9.7651 11.3167 11.3381 11.5337 11.5635 14.2095 14.2482 k = 0.5333 0.1925 0.2586 ( 7956 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5554 -1.5440 2.5415 2.5597 2.7656 2.7993 3.1243 3.2529 3.5537 3.5808 4.4307 4.4315 4.5838 4.7039 7.2230 7.3412 7.7936 7.8679 9.8421 9.8499 11.3645 11.3914 11.6162 11.6477 14.2465 14.2826 k = 0.5375 0.1804 0.2654 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5441 -1.5313 2.5383 2.5639 2.7687 2.7995 3.1234 3.2647 3.5523 3.5862 4.4308 4.4320 4.5747 4.7118 7.0994 7.2272 7.7249 7.8071 9.9153 9.9267 11.4225 11.4558 11.7068 11.7393 14.2790 14.3093 k = 0.5417 0.1684 0.2722 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5316 -1.5174 2.5341 2.5687 2.7732 2.7989 3.1229 3.2762 3.5512 3.5930 4.4307 4.4326 4.5657 4.7203 6.9746 7.1107 7.6552 7.7442 9.9796 9.9940 11.4908 11.5317 11.8048 11.8374 14.3003 14.3225 k = 0.5458 0.1564 0.2790 ( 7953 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5179 -1.5025 2.5288 2.5739 2.7790 2.7978 3.1226 3.2874 3.5506 3.6010 4.4301 4.4331 4.5570 4.7293 6.8500 6.9935 7.5844 7.6795 10.0346 10.0513 11.5689 11.6187 11.9094 11.9414 14.3026 14.3171 k = 0.5500 0.1443 0.2858 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5033 -1.4866 2.5224 2.5795 2.7861 2.7961 3.1223 3.2981 3.5507 3.6105 4.4289 4.4336 4.5488 4.7391 6.7267 6.8768 7.5128 7.6132 10.0804 10.0986 11.6556 11.7157 12.0199 12.0504 14.2797 14.2904 k = 0.5542 0.1323 0.2926 ( 7959 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4878 -1.4698 2.5150 2.5853 2.7941 2.7945 3.1217 3.3082 3.5517 3.6213 4.4267 4.4340 4.5415 4.7496 6.6055 6.7614 7.4404 7.5457 10.1176 10.1368 11.7494 11.8213 12.1355 12.1636 14.2314 14.2438 k = 0.5583 0.1203 0.2994 ( 7952 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4714 -1.4523 2.5065 2.5910 2.7920 2.8041 3.1205 3.3178 3.5539 3.6336 4.4232 4.4343 4.5354 4.7610 6.4873 6.6481 7.3676 7.4774 10.1473 10.1669 11.8482 11.9333 12.2557 12.2801 14.1639 14.1824 k = 0.5625 0.1083 0.3062 ( 7946 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8916 -1.4544 -1.4341 2.4970 2.5965 2.7899 2.8147 3.1185 3.3267 3.5574 3.6473 4.4182 4.4346 4.5310 4.7732 6.3725 6.5376 7.2946 7.4085 10.1705 10.1901 11.9496 12.0492 12.3795 12.3990 14.0858 14.1123 k = 0.5667 0.0962 0.3130 ( 7958 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4368 -1.4154 2.4865 2.6013 2.7884 2.8262 3.1154 3.3351 3.5626 3.6622 4.4113 4.4349 4.5286 4.7862 6.2619 6.4305 7.2218 7.3395 10.1883 10.2075 12.0507 12.1660 12.5063 12.5194 14.0054 14.0400 k = 0.5708 0.0842 0.3198 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4188 -1.3964 2.4752 2.6049 2.7878 2.8386 3.1113 3.3430 3.5695 3.6783 4.4027 4.4351 4.5281 4.8000 6.1559 6.3272 7.1494 7.2706 10.2018 10.2203 12.1480 12.2794 12.6353 12.6405 13.9302 13.9713 k = 0.5750 0.0722 0.3266 ( 7957 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4005 -1.3771 2.4630 2.6069 2.7886 2.8516 3.1061 3.3503 3.5781 3.6953 4.3925 4.4352 4.5294 4.8144 6.0551 6.2281 7.0777 7.2021 10.2117 10.2294 12.2375 12.3837 12.7618 12.7657 13.8673 13.9119 k = 0.5792 0.0601 0.3334 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3821 -1.3579 2.4502 2.6066 2.7913 2.8652 3.0999 3.3570 3.5887 3.7131 4.3812 4.4355 4.5324 4.8292 5.9601 6.1339 7.0069 7.1343 10.2188 10.2356 12.3142 12.4714 12.8837 12.8966 13.8243 13.8677 k = 0.5833 0.0481 0.3402 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3639 -1.3388 2.4366 2.6036 2.7963 2.8793 3.0928 3.3632 3.6010 3.7315 4.3690 4.4358 4.5367 4.8441 5.8712 6.0450 6.9374 7.0675 10.2238 10.2395 12.3729 12.5338 13.0072 13.0273 13.8083 13.8441 k = 0.5875 0.0361 0.3470 ( 7967 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3458 -1.3200 2.4226 2.5978 2.8035 2.8936 3.0852 3.3689 3.6149 3.7503 4.3564 4.4363 4.5420 4.8588 5.7890 5.9621 6.8694 7.0018 10.2273 10.2418 12.4092 12.5641 13.1339 13.1571 13.8238 13.8455 k = 0.5917 0.0241 0.3538 ( 7967 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3282 -1.3018 2.4080 2.5892 2.8130 2.9082 3.0773 3.3738 3.6305 3.7693 4.3438 4.4371 4.5480 4.8725 5.7140 5.8857 6.8030 6.9376 10.2296 10.2430 12.4204 12.5612 13.2642 13.2854 13.8700 13.8736 k = 0.5958 0.0120 0.3606 ( 7968 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3113 -1.2843 2.3932 2.5779 2.8244 2.9227 3.0696 3.3780 3.6474 3.7885 4.3317 4.4382 4.5544 4.8848 5.6466 5.8168 6.7387 6.8750 10.2312 10.2432 12.4075 12.5297 13.3972 13.4118 13.9263 13.9413 k = 0.6000-0.0000 0.3674 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2952 -1.2677 2.3782 2.5642 2.8371 2.9370 3.0626 3.3814 3.6656 3.8076 4.3203 4.4398 4.5609 4.8945 5.5872 5.7561 6.6765 6.8143 10.2322 10.2430 12.3736 12.4767 13.5311 13.5355 13.9988 14.0302 k = 0.6042-0.0120 0.3742 ( 7958 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2802 -1.2524 2.3631 2.5485 2.8504 2.9511 3.0569 3.3837 3.6848 3.8267 4.3102 4.4419 4.5672 4.9008 5.5363 5.7048 6.6168 6.7557 10.2331 10.2426 12.3234 12.4089 13.6555 13.6635 14.0846 14.1289 k = 0.6083-0.0241 0.3810 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2664 -1.2384 2.3481 2.5312 2.8636 2.9645 3.0532 3.3849 3.7049 3.8456 4.3016 4.4446 4.5731 4.9027 5.4941 5.6638 6.5598 6.6995 10.2339 10.2421 12.2611 12.3317 13.7702 13.7916 14.1772 14.2312 k = 0.6125-0.0361 0.3878 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2541 -1.2260 2.3333 2.5126 2.8758 2.9772 3.0522 3.3850 3.7257 3.8642 4.2950 4.4481 4.5784 4.8992 5.4609 5.6339 6.5058 6.6457 10.2348 10.2417 12.1906 12.2486 13.8775 13.9121 14.2708 14.3317 k = 0.6167-0.0481 0.3946 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2435 -1.2154 2.3190 2.4931 2.8859 2.9889 3.0549 3.3838 3.7471 3.8827 4.2906 4.4523 4.5830 4.8898 5.4367 5.6156 6.4549 6.5948 10.2360 10.2416 12.1146 12.1622 13.9748 14.0212 14.3602 14.4261 k = 0.6208-0.0601 0.4014 ( 7965 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2347 -1.2068 2.3053 2.4732 2.8932 2.9994 3.0619 3.3816 3.7690 3.9008 4.2887 4.4573 4.5869 4.8748 5.4215 5.6088 6.4076 6.5469 10.2377 10.2419 12.0353 12.0741 14.0596 14.1152 14.4411 14.5105 k = 0.6250-0.0722 0.4082 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.6250-0.0722 0.4082 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.6181-0.0682 0.4196 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2278 -1.2002 2.2934 2.4540 2.8962 3.0080 3.0717 3.3798 3.7837 3.9264 4.2894 4.4621 4.5927 4.8552 5.4131 5.6111 6.3609 6.5007 10.2446 10.2525 11.9533 11.9852 14.0845 14.1861 14.4996 14.6328 k = 0.6111-0.0642 0.4309 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2271 -1.1994 2.2963 2.4569 2.8924 3.0073 3.0671 3.3841 3.7649 3.9459 4.2896 4.4593 4.5991 4.8563 5.4073 5.6064 6.3517 6.4959 10.2630 10.2775 11.9512 11.9838 13.9992 14.1325 14.5237 14.7170 k = 0.6042-0.0601 0.4423 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2260 -1.1981 2.3011 2.4618 2.8860 3.0062 3.0599 3.3908 3.7409 3.9710 4.2900 4.4553 4.6092 4.8580 5.3977 5.5985 6.3372 6.4880 10.2955 10.3163 11.9476 11.9814 13.9019 14.0429 14.5708 14.7949 k = 0.5972-0.0561 0.4536 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2245 -1.1964 2.3078 2.4685 2.8771 3.0047 3.0506 3.3992 3.7152 3.9984 4.2904 4.4511 4.6220 4.8605 5.3843 5.5874 6.3186 6.4770 10.3418 10.3680 11.9425 11.9779 13.7996 13.9394 14.6140 14.8440 k = 0.5903-0.0521 0.4649 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2225 -1.1942 2.3164 2.4771 2.8656 3.0030 3.0395 3.4086 3.6895 4.0262 4.2909 4.4472 4.6370 4.8638 5.3672 5.5730 6.2970 6.4633 10.4010 10.4316 11.9358 11.9733 13.6954 13.8313 14.6383 14.8438 k = 0.5833-0.0481 0.4763 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2203 -1.1916 2.3269 2.4875 2.8516 3.0011 3.0271 3.4184 3.6648 4.0535 4.2915 4.4444 4.6536 4.8677 5.3464 5.5553 6.2737 6.4474 10.4722 10.5061 11.9273 11.9674 13.5912 13.7224 14.6356 14.7972 k = 0.5764-0.0441 0.4876 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2177 -1.1886 2.3391 2.4998 2.8352 2.9988 3.0137 3.4277 3.6419 4.0796 4.2920 4.4432 4.6715 4.8725 5.3223 5.5346 6.2500 6.4298 10.5541 10.5901 11.9168 11.9601 13.4883 13.6147 14.6056 14.7251 k = 0.5694-0.0401 0.4990 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2149 -1.1855 2.3531 2.5137 2.8169 2.9936 3.0020 3.4359 3.6214 4.1040 4.2923 4.4439 4.6904 4.8780 5.2951 5.5110 6.2269 6.4113 10.6453 10.6823 11.9042 11.9512 13.3876 13.5094 14.5537 14.6434 k = 0.5625-0.0361 0.5103 ( 7969 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2119 -1.1821 2.3687 2.5293 2.7968 2.9798 2.9978 3.4424 3.6040 4.1262 4.2923 4.4469 4.7100 4.8842 5.2651 5.4850 6.2051 6.3924 10.7443 10.7812 11.8892 11.9406 13.2901 13.4075 14.4876 14.5600 k = 0.5556-0.0321 0.5217 ( 7980 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2088 -1.1786 2.3859 2.5463 2.7753 2.9625 2.9958 3.4465 3.5902 4.1460 4.2918 4.4523 4.7302 4.8910 5.2329 5.4572 6.1852 6.3738 10.8492 10.8854 11.8717 11.9280 13.1968 13.3099 14.4144 14.4787 k = 0.5486-0.0281 0.5330 ( 7979 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2057 -1.1751 2.4045 2.5647 2.7528 2.9435 2.9943 3.4479 3.5803 4.1633 4.2906 4.4599 4.7508 4.8981 5.1991 5.4284 6.1677 6.3562 10.9578 10.9932 11.8514 11.9134 13.1087 13.2177 14.3400 14.4010 k = 0.5417-0.0241 0.5443 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2026 -1.1716 2.4243 2.5842 2.7297 2.9231 2.9930 3.4469 3.5740 4.1782 4.2886 4.4694 4.7718 4.9053 5.1645 5.3996 6.1526 6.3399 11.0676 11.1028 11.8280 11.8968 13.0270 13.1318 14.2684 14.3280 k = 0.5347-0.0200 0.5557 ( 7971 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1997 -1.1684 2.4452 2.6043 2.7066 2.9015 2.9920 3.4440 3.5707 4.1910 4.2857 4.4799 4.7931 4.9121 5.1300 5.3720 6.1401 6.3256 11.1751 11.2118 11.8014 11.8785 12.9531 13.0536 14.2029 14.2610 k = 0.5278-0.0160 0.5670 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1971 -1.1655 2.4668 2.6236 2.6851 2.8792 2.9912 3.4402 3.5693 4.2020 4.2820 4.4904 4.8146 4.9178 5.0968 5.3468 6.1300 6.3134 11.2764 11.3175 11.7716 11.8591 12.8887 12.9847 14.1456 14.2011 k = 0.5208-0.0120 0.5784 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1949 -1.1630 2.4885 2.6354 2.6716 2.8568 2.9906 3.4365 3.5691 4.2113 4.2776 4.5001 4.8362 4.9216 5.0661 5.3255 6.1223 6.3036 11.3666 11.4157 11.7387 11.8404 12.8360 12.9269 14.0987 14.1501 k = 0.5139-0.0080 0.5897 ( 7975 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1931 -1.1610 2.5093 2.6265 2.6790 2.8356 2.9901 3.4333 3.5692 4.2193 4.2728 4.5077 4.8574 4.9222 5.0400 5.3092 6.1169 6.2965 11.4391 11.5018 11.7027 11.8250 12.7973 12.8825 14.0641 14.1098 k = 0.5069-0.0040 0.6010 ( 7975 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1920 -1.1598 2.5266 2.6114 2.6926 2.8188 2.9899 3.4313 3.5695 4.2252 4.2684 4.5126 4.8765 4.9186 5.0217 5.2992 6.1137 6.2922 11.4857 11.5716 11.6643 11.8164 12.7744 12.8539 14.0430 14.0828 k = 0.5000-0.0000 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1916 -1.1593 2.5343 2.6041 2.6989 2.8118 2.9898 3.4306 3.5696 4.2277 4.2664 4.5142 4.8867 4.9140 5.0150 5.2958 6.1127 6.2907 11.5009 11.6180 11.6284 11.8147 12.7673 12.8438 14.0360 14.0728 k = 0.5000-0.0000 0.6124 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1916 -1.1593 2.5343 2.6041 2.6989 2.8118 2.9898 3.4306 3.5696 4.2277 4.2664 4.5142 4.8867 4.9140 5.0150 5.2958 6.1127 6.2907 11.5009 11.6180 11.6284 11.8147 12.7673 12.8438 14.0360 14.0728 k = 0.5000 0.0082 0.6007 ( 7970 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1925 -1.1603 2.5335 2.6041 2.7005 2.8122 2.9895 3.4310 3.5691 4.2220 4.2697 4.5108 4.8719 4.9265 5.0218 5.2993 6.1163 6.2951 11.4859 11.5621 11.6834 11.8270 12.7627 12.8463 14.0375 14.0830 k = 0.5000 0.0165 0.5890 ( 7970 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1954 -1.1633 2.5313 2.6041 2.7050 2.8134 2.9886 3.4322 3.5679 4.2081 4.2765 4.5015 4.8479 4.9430 5.0419 5.3102 6.1271 6.3082 11.4471 11.5008 11.7411 11.8581 12.7514 12.8524 14.0456 14.1094 k = 0.5000 0.0247 0.5774 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2002 -1.1683 2.5282 2.6041 2.7118 2.8155 2.9873 3.4340 3.5658 4.1890 4.2836 4.4884 4.8224 4.9546 5.0742 5.3289 6.1449 6.3296 11.3948 11.4388 11.7951 11.8975 12.7380 12.8599 14.0636 14.1474 k = 0.5000 0.0330 0.5657 ( 7972 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2068 -1.1751 2.5244 2.6040 2.7202 2.8184 2.9858 3.4362 3.5629 4.1658 4.2901 4.4740 4.7968 4.9604 5.1161 5.3559 6.1697 6.3589 11.3364 11.3757 11.8434 11.9380 12.7268 12.8687 14.0922 14.1942 k = 0.5000 0.0412 0.5541 ( 7970 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2152 -1.1837 2.5205 2.6040 2.7292 2.8223 2.9845 3.4386 3.5593 4.1389 4.2959 4.4603 4.7715 4.9607 5.1651 5.3911 6.2010 6.3955 11.2754 11.3119 11.8835 11.9748 12.7213 12.8800 14.1304 14.2481 k = 0.5000 0.0495 0.5424 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2252 -1.1941 2.5167 2.6039 2.7382 2.8271 2.9838 3.4406 3.5552 4.1088 4.3011 4.4487 4.7468 4.9564 5.2197 5.4342 6.2387 6.4388 11.2134 11.2476 11.9128 12.0053 12.7247 12.8960 14.1768 14.3072 k = 0.5000 0.0577 0.5307 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2368 -1.2060 2.5134 2.6037 2.7464 2.8323 2.9844 3.4419 3.5507 4.0761 4.3062 4.4397 4.7229 4.9483 5.2787 5.4848 6.2823 6.4880 11.1513 11.1830 11.9293 12.0276 12.7388 12.9188 14.2291 14.3694 k = 0.5000 0.0660 0.5191 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2497 -1.2194 2.5106 2.6034 2.7536 2.8374 2.9866 3.4422 3.5460 4.0414 4.3115 4.4333 4.6999 4.9374 5.3415 5.5421 6.3314 6.5425 11.0895 11.1185 11.9323 12.0405 12.7641 12.9497 14.2841 14.4316 k = 0.5000 0.0742 0.5074 ( 7976 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2639 -1.2341 2.5085 2.6029 2.7597 2.8416 2.9912 3.4409 3.5416 4.0054 4.3172 4.4291 4.6781 4.9244 5.4080 5.6055 6.3856 6.6017 11.0282 11.0542 11.9227 12.0438 12.7995 12.9891 14.3354 14.4889 k = 0.5000 0.0825 0.4957 ( 7974 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2792 -1.2500 2.5072 2.6023 2.7648 2.8443 2.9983 3.4378 3.5377 3.9690 4.3237 4.4269 4.6574 4.9101 5.4781 5.6744 6.4445 6.6651 10.9676 10.9901 11.9027 12.0377 12.8424 13.0357 14.3679 14.5321 k = 0.5000 0.0907 0.4841 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2954 -1.2669 2.5066 2.6014 2.7691 2.8450 3.0079 3.4327 3.5346 3.9326 4.3310 4.4262 4.6380 4.8949 5.5519 5.7483 6.5076 6.7319 10.9076 10.9263 11.8746 12.0232 12.8892 13.0869 14.3517 14.5480 k = 0.5000 0.0990 0.4724 ( 7964 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3125 -1.2846 2.5067 2.6002 2.7727 2.8438 3.0194 3.4256 3.5323 3.8967 4.3392 4.4267 4.6200 4.8794 5.6294 5.8269 6.5745 6.8019 10.8483 10.8630 11.8406 12.0017 12.9355 13.1385 14.2714 14.5117 k = 0.5000 0.1072 0.4607 ( 7960 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3301 -1.3030 2.5075 2.5988 2.7760 2.8410 3.0322 3.4167 3.5310 3.8619 4.3480 4.4281 4.6034 4.8638 5.7108 5.9098 6.6447 6.8744 10.7895 10.8000 11.8025 11.9745 12.9753 13.1833 14.1582 14.4173 k = 0.5000 0.1155 0.4491 ( 7966 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3481 -1.3219 2.5089 2.5971 2.7789 2.8367 3.0455 3.4064 3.5304 3.8283 4.3573 4.4301 4.5884 4.8484 5.7963 5.9967 6.7178 6.9489 10.7307 10.7378 11.7617 11.9429 13.0010 13.2100 14.0484 14.3066 k = 0.5000 0.1237 0.4374 ( 7970 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3665 -1.3411 2.5109 2.5950 2.7816 2.8315 3.0587 3.3950 3.5304 3.7963 4.3669 4.4327 4.5750 4.8334 5.8859 6.0874 6.7934 7.0251 10.6707 10.6772 11.7193 11.9080 13.0028 13.2029 13.9701 14.2090 k = 0.5000 0.1320 0.4257 ( 7956 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3849 -1.3605 2.5134 2.5927 2.7842 2.8255 3.0712 3.3831 3.5310 3.7661 4.3762 4.4357 4.5635 4.8189 5.9796 6.1817 6.8710 7.1025 10.6088 10.6188 11.6761 11.8707 12.9703 13.1506 13.9405 14.1405 k = 0.5000 0.1402 0.4141 ( 7960 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4033 -1.3799 2.5162 2.5900 2.7866 2.8190 3.0826 3.3709 3.5320 3.7379 4.3851 4.4387 4.5541 4.8050 6.0774 6.2794 6.9503 7.1805 10.5459 10.5610 11.6328 11.8317 12.8976 13.0580 13.9577 14.1081 k = 0.5000 0.1485 0.4024 ( 7962 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4215 -1.3991 2.5193 2.5871 2.7888 2.8123 3.0925 3.3586 3.5333 3.7119 4.3932 4.4416 4.5470 4.7918 6.1792 6.3803 7.0309 7.2588 10.4824 10.5030 11.5897 11.7915 12.7879 12.9398 14.0064 14.1099 k = 0.5000 0.1567 0.3908 ( 7954 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4394 -1.4181 2.5227 2.5839 2.7908 2.8057 3.1008 3.3465 3.5349 3.6881 4.4004 4.4440 4.5427 4.7793 6.2849 6.4842 7.1122 7.3369 10.4180 10.4444 11.5474 11.7506 12.6527 12.8069 14.0713 14.1376 k = 0.5000 0.1650 0.3791 ( 7956 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8916 -1.4569 -1.4367 2.5261 2.5805 2.7920 2.7997 3.1074 3.3346 3.5368 3.6668 4.4065 4.4454 4.5412 4.7675 6.3943 6.5909 7.1940 7.4143 10.3525 10.3844 11.5062 11.7092 12.5041 12.6655 14.1408 14.1815 k = 0.5000 0.1732 0.3674 ( 7952 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4737 -1.4547 2.5295 2.5770 2.7897 2.7972 3.1124 3.3228 3.5389 3.6479 4.4116 4.4457 4.5426 4.7564 6.5071 6.6999 7.2759 7.4905 10.2856 10.3226 11.4663 11.6678 12.3509 12.5197 14.2047 14.2330 k = 0.5000 0.1815 0.3558 ( 7952 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4898 -1.4720 2.5329 2.5734 2.7844 2.7980 3.1159 3.3111 3.5412 3.6314 4.4158 4.4449 4.5465 4.7460 6.6230 6.8110 7.3575 7.5651 10.2169 10.2582 11.4281 11.6263 12.1986 12.3733 14.2549 14.2831 k = 0.5000 0.1897 0.3441 ( 7950 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5051 -1.4886 2.5360 2.5699 2.7790 2.7990 3.1184 3.2995 3.5435 3.6173 4.4192 4.4434 4.5523 4.7363 6.7414 6.9236 7.4384 7.6376 10.1459 10.1905 11.3919 11.5852 12.0513 12.2293 14.2883 14.3198 k = 0.5000 0.1979 0.3324 ( 7960 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5195 -1.5042 2.5388 2.5663 2.7741 2.7999 3.1201 3.2879 3.5459 3.6054 4.4219 4.4414 4.5595 4.7272 6.8620 7.0370 7.5185 7.7074 10.0722 10.1186 11.3579 11.5444 11.9116 12.0899 14.3024 14.3360 k = 0.5000 0.2062 0.3208 ( 7962 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5329 -1.5189 2.5413 2.5629 2.7700 2.8004 3.1213 3.2761 3.5483 3.5957 4.4241 4.4392 4.5676 4.7187 6.9840 7.1502 7.5975 7.7741 9.9955 10.0419 11.3264 11.5042 11.7821 11.9573 14.2966 14.3320 k = 0.5000 0.2144 0.3091 ( 7956 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5452 -1.5325 2.5433 2.5597 2.7667 2.8004 3.1225 3.2642 3.5506 3.5878 4.4258 4.4371 4.5761 4.7107 7.1063 7.2622 7.6754 7.8374 9.9155 9.9600 11.2978 11.4646 11.6647 11.8330 14.2746 14.3125 k = 0.5000 0.2227 0.2974 ( 7956 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5563 -1.5450 2.5448 2.5567 2.7645 2.7998 3.1239 3.2522 3.5527 3.5816 4.4271 4.4352 4.5848 4.7031 7.2279 7.3711 7.7524 7.8970 9.8322 9.8729 11.2725 11.4255 11.5611 11.7184 14.2425 14.2824 k = 0.5000 0.2309 0.2858 ( 7962 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5661 -1.5562 2.5458 2.5540 2.7633 2.7987 3.1259 3.2402 3.5547 3.5767 4.4280 4.4335 4.5935 4.6958 7.3470 7.4748 7.8288 7.9530 9.7461 9.7811 11.2506 11.3865 11.4732 11.6147 14.2062 14.2466 k = 0.5000 0.2392 0.2741 ( 7964 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5747 -1.5662 2.5464 2.5517 2.7631 2.7969 3.1286 3.2282 3.5565 3.5730 4.4286 4.4321 4.6021 4.6888 7.4612 7.5705 7.9051 8.0055 9.6579 9.6862 11.2326 11.3461 11.4032 11.5226 14.1700 14.2088 k = 0.5000 0.2474 0.2624 ( 7970 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5819 -1.5748 2.5466 2.5497 2.7638 2.7947 3.1321 3.2164 3.5581 3.5702 4.4290 4.4310 4.6105 4.6820 7.5673 7.6553 7.9813 8.0553 9.5695 9.5908 11.2187 11.3038 11.3521 11.4427 14.1369 14.1722 k = 0.5000 0.2557 0.2508 ( 7968 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5878 -1.5820 2.5466 2.5482 2.7654 2.7919 3.1366 3.2050 3.5595 3.5681 4.4292 4.4302 4.6186 4.6754 7.6612 7.7264 8.0559 8.1032 9.4833 9.4986 11.2091 11.2645 11.3150 11.3754 14.1087 14.1388 k = 0.5000 0.2639 0.2391 ( 7980 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5922 -1.5879 2.5463 2.5470 2.7678 2.7887 3.1420 3.1939 3.5607 3.5666 4.4292 4.4297 4.6265 4.6687 7.7384 7.7820 8.1253 8.1493 9.4038 9.4148 11.2038 11.2341 11.2858 11.3211 14.0868 14.1105 k = 0.5000 0.2722 0.2275 ( 7990 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5952 -1.5923 2.5460 2.5462 2.7707 2.7852 3.1485 3.1833 3.5617 3.5654 4.4292 4.4293 4.6341 4.6621 7.7954 7.8212 8.1831 8.1913 9.3376 9.3459 11.2025 11.2148 11.2624 11.2801 14.0719 14.0882 k = 0.5000 0.2804 0.2158 ( 7980 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5967 -1.5952 2.5458 2.5458 2.7741 2.7815 3.1559 3.1734 3.5626 3.5644 4.4292 4.4292 4.6414 4.6553 7.8311 7.8430 8.2216 8.2227 9.2938 9.2986 11.2038 11.2059 11.2459 11.2534 14.0645 14.0728 k = 0.5000 0.2887 0.2041 ( 7954 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5967 -1.5967 2.5457 2.5457 2.7777 2.7777 3.1643 3.1643 3.5635 3.5635 4.4291 4.4291 4.6485 4.6485 7.8466 7.8466 8.2349 8.2349 9.2800 9.2800 11.2044 11.2044 11.2416 11.2416 14.0649 14.0649 k = 0.5000 0.2887 0.2041 ( 7954 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5967 -1.5967 2.5457 2.5457 2.7777 2.7777 3.1643 3.1643 3.5635 3.5635 4.4291 4.4291 4.6485 4.6485 7.8466 7.8466 8.2349 8.2349 9.2800 9.2800 11.2044 11.2044 11.2416 11.2416 14.0649 14.0649 k = 0.4958 0.2863 0.2177 ( 7982 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5967 -1.5952 2.5458 2.5458 2.7740 2.7815 3.1558 3.1735 3.5626 3.5644 4.4292 4.4292 4.6413 4.6554 7.8309 7.8428 8.2215 8.2222 9.2941 9.2990 11.2045 11.2051 11.2462 11.2535 14.0646 14.0729 k = 0.4917 0.2839 0.2313 ( 7990 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5951 -1.5922 2.5460 2.5463 2.7706 2.7852 3.1484 3.1836 3.5617 3.5654 4.4293 4.4293 4.6339 4.6622 7.7946 7.8203 8.1838 8.1888 9.3390 9.3469 11.2068 11.2097 11.2660 11.2788 14.0722 14.0886 k = 0.4875 0.2815 0.2449 ( 7982 PWs) bands (ev): -38.2364 -38.2364 -37.8916 -37.8916 -1.5921 -1.5877 2.5462 2.5472 2.7677 2.7888 3.1418 3.1942 3.5607 3.5666 4.4294 4.4295 4.6262 4.6689 7.7371 7.7793 8.1287 8.1430 9.4073 9.4159 11.2142 11.2201 11.2982 11.3155 14.0874 14.1113 k = 0.4833 0.2791 0.2586 ( 7974 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5876 -1.5818 2.5462 2.5486 2.7654 2.7920 3.1364 3.2054 3.5595 3.5682 4.4297 4.4297 4.6183 4.6757 7.6597 7.7200 8.0645 8.0916 9.4907 9.4977 11.2281 11.2374 11.3417 11.3629 14.1098 14.1401 k = 0.4792 0.2766 0.2722 ( 7966 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5816 -1.5744 2.5460 2.5505 2.7638 2.7947 3.1319 3.2170 3.5582 3.5702 4.4299 4.4301 4.6100 4.6824 7.5656 7.6435 7.9970 8.0381 9.5816 9.5858 11.2493 11.2621 11.3958 11.4204 14.1386 14.1738 k = 0.4750 0.2742 0.2858 ( 7962 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5742 -1.5656 2.5452 2.5530 2.7633 2.7969 3.1285 3.2289 3.5567 3.5729 4.4302 4.4305 4.6015 4.6893 7.4589 7.5526 7.9292 7.9831 9.6746 9.6749 11.2785 11.2954 11.4600 11.4875 14.1725 14.2107 k = 0.4708 0.2718 0.2994 ( 7958 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5655 -1.5554 2.5437 2.5560 2.7638 2.7984 3.1260 3.2409 3.5552 3.5764 4.4305 4.4310 4.5927 4.6965 7.3436 7.4506 7.8615 7.9265 9.7613 9.7651 11.3167 11.3381 11.5337 11.5635 14.2095 14.2482 k = 0.4667 0.2694 0.3130 ( 7956 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5554 -1.5440 2.5415 2.5597 2.7656 2.7993 3.1243 3.2529 3.5537 3.5808 4.4307 4.4315 4.5838 4.7039 7.2230 7.3412 7.7936 7.8679 9.8421 9.8499 11.3645 11.3914 11.6162 11.6477 14.2465 14.2826 k = 0.4625 0.2670 0.3266 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5441 -1.5313 2.5383 2.5639 2.7687 2.7995 3.1234 3.2647 3.5523 3.5862 4.4308 4.4320 4.5747 4.7118 7.0994 7.2272 7.7249 7.8071 9.9153 9.9267 11.4225 11.4558 11.7068 11.7393 14.2790 14.3093 k = 0.4583 0.2646 0.3402 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5316 -1.5174 2.5341 2.5687 2.7732 2.7989 3.1229 3.2762 3.5512 3.5930 4.4307 4.4326 4.5657 4.7203 6.9746 7.1107 7.6552 7.7442 9.9796 9.9940 11.4908 11.5317 11.8048 11.8374 14.3003 14.3225 k = 0.4542 0.2622 0.3538 ( 7953 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5179 -1.5025 2.5288 2.5739 2.7790 2.7978 3.1226 3.2874 3.5506 3.6010 4.4301 4.4331 4.5570 4.7293 6.8500 6.9935 7.5844 7.6795 10.0346 10.0513 11.5689 11.6187 11.9094 11.9414 14.3026 14.3171 k = 0.4500 0.2598 0.3674 ( 7951 PWs) bands (ev): -38.2363 -38.2363 -37.8916 -37.8916 -1.5033 -1.4866 2.5224 2.5795 2.7861 2.7961 3.1223 3.2981 3.5507 3.6105 4.4289 4.4336 4.5488 4.7391 6.7267 6.8768 7.5128 7.6132 10.0804 10.0986 11.6556 11.7157 12.0199 12.0504 14.2797 14.2904 k = 0.4458 0.2574 0.3810 ( 7959 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4878 -1.4698 2.5150 2.5853 2.7941 2.7945 3.1217 3.3082 3.5517 3.6213 4.4267 4.4340 4.5415 4.7496 6.6055 6.7614 7.4404 7.5457 10.1176 10.1368 11.7494 11.8213 12.1355 12.1636 14.2314 14.2438 k = 0.4417 0.2550 0.3946 ( 7952 PWs) bands (ev): -38.2363 -38.2363 -37.8917 -37.8916 -1.4714 -1.4523 2.5065 2.5910 2.7920 2.8041 3.1205 3.3178 3.5539 3.6336 4.4232 4.4343 4.5354 4.7610 6.4873 6.6481 7.3676 7.4774 10.1473 10.1669 11.8482 11.9333 12.2557 12.2801 14.1639 14.1824 k = 0.4375 0.2526 0.4082 ( 7946 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8916 -1.4544 -1.4341 2.4970 2.5965 2.7899 2.8147 3.1185 3.3267 3.5574 3.6473 4.4182 4.4346 4.5310 4.7732 6.3725 6.5376 7.2946 7.4085 10.1705 10.1901 11.9496 12.0492 12.3795 12.3990 14.0858 14.1123 k = 0.4333 0.2502 0.4219 ( 7958 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4368 -1.4154 2.4865 2.6013 2.7884 2.8262 3.1154 3.3351 3.5626 3.6622 4.4113 4.4349 4.5286 4.7862 6.2619 6.4305 7.2218 7.3395 10.1883 10.2075 12.0507 12.1660 12.5063 12.5194 14.0054 14.0400 k = 0.4292 0.2478 0.4355 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4188 -1.3964 2.4752 2.6049 2.7878 2.8386 3.1113 3.3430 3.5695 3.6783 4.4027 4.4351 4.5281 4.8000 6.1559 6.3271 7.1494 7.2706 10.2018 10.2203 12.1480 12.2794 12.6353 12.6405 13.9302 13.9713 k = 0.4250 0.2454 0.4491 ( 7957 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.4005 -1.3771 2.4630 2.6069 2.7886 2.8516 3.1061 3.3503 3.5781 3.6953 4.3925 4.4352 4.5294 4.8144 6.0551 6.2281 7.0777 7.2021 10.2117 10.2294 12.2375 12.3837 12.7618 12.7657 13.8673 13.9119 k = 0.4208 0.2430 0.4627 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3821 -1.3579 2.4502 2.6066 2.7913 2.8652 3.0999 3.3570 3.5887 3.7131 4.3812 4.4355 4.5324 4.8292 5.9601 6.1339 7.0069 7.1343 10.2188 10.2356 12.3142 12.4714 12.8837 12.8966 13.8243 13.8677 k = 0.4167 0.2406 0.4763 ( 7963 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3639 -1.3388 2.4366 2.6036 2.7963 2.8793 3.0928 3.3632 3.6010 3.7315 4.3690 4.4358 4.5367 4.8441 5.8712 6.0450 6.9374 7.0675 10.2238 10.2395 12.3729 12.5338 13.0072 13.0273 13.8083 13.8441 k = 0.4125 0.2382 0.4899 ( 7967 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3458 -1.3200 2.4226 2.5978 2.8035 2.8936 3.0852 3.3689 3.6149 3.7503 4.3564 4.4363 4.5420 4.8588 5.7890 5.9621 6.8694 7.0018 10.2273 10.2418 12.4092 12.5641 13.1339 13.1571 13.8238 13.8455 k = 0.4083 0.2358 0.5035 ( 7967 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3282 -1.3018 2.4080 2.5892 2.8130 2.9082 3.0773 3.3738 3.6305 3.7693 4.3438 4.4371 4.5480 4.8725 5.7140 5.8857 6.8030 6.9376 10.2296 10.2430 12.4204 12.5612 13.2642 13.2854 13.8700 13.8736 k = 0.4042 0.2333 0.5171 ( 7968 PWs) bands (ev): -38.2362 -38.2362 -37.8917 -37.8917 -1.3113 -1.2843 2.3932 2.5779 2.8244 2.9227 3.0696 3.3780 3.6474 3.7885 4.3317 4.4382 4.5544 4.8848 5.6466 5.8168 6.7387 6.8750 10.2312 10.2432 12.4075 12.5297 13.3972 13.4118 13.9263 13.9413 k = 0.4000 0.2309 0.5307 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2952 -1.2677 2.3782 2.5642 2.8371 2.9370 3.0626 3.3814 3.6656 3.8076 4.3203 4.4398 4.5609 4.8945 5.5872 5.7561 6.6765 6.8143 10.2322 10.2430 12.3736 12.4767 13.5311 13.5355 13.9988 14.0302 k = 0.3958 0.2285 0.5443 ( 7958 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2802 -1.2524 2.3631 2.5485 2.8504 2.9511 3.0569 3.3837 3.6848 3.8267 4.3102 4.4419 4.5672 4.9008 5.5363 5.7048 6.6168 6.7557 10.2331 10.2426 12.3234 12.4089 13.6555 13.6635 14.0846 14.1289 k = 0.3917 0.2261 0.5579 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8917 -37.8917 -1.2664 -1.2384 2.3481 2.5312 2.8636 2.9645 3.0532 3.3849 3.7049 3.8456 4.3016 4.4446 4.5731 4.9027 5.4941 5.6638 6.5598 6.6995 10.2339 10.2421 12.2611 12.3317 13.7702 13.7916 14.1772 14.2312 k = 0.3875 0.2237 0.5715 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2541 -1.2260 2.3333 2.5126 2.8758 2.9772 3.0522 3.3850 3.7257 3.8642 4.2950 4.4481 4.5784 4.8992 5.4609 5.6339 6.5058 6.6457 10.2348 10.2417 12.1906 12.2486 13.8775 13.9121 14.2708 14.3317 k = 0.3833 0.2213 0.5852 ( 7968 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2435 -1.2154 2.3190 2.4931 2.8859 2.9889 3.0549 3.3838 3.7471 3.8827 4.2906 4.4523 4.5830 4.8898 5.4367 5.6156 6.4549 6.5948 10.2360 10.2416 12.1146 12.1622 13.9748 14.0212 14.3602 14.4261 k = 0.3792 0.2189 0.5988 ( 7965 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2347 -1.2068 2.3053 2.4732 2.8932 2.9994 3.0619 3.3816 3.7690 3.9008 4.2887 4.4573 4.5869 4.8748 5.4215 5.6088 6.4076 6.5469 10.2377 10.2419 12.0353 12.0741 14.0596 14.1152 14.4411 14.5105 k = 0.3750 0.2165 0.6124 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.6250-0.0722 0.4082 ( 7960 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2280 -1.2005 2.2924 2.4530 2.8974 3.0083 3.0732 3.3783 3.7913 3.9185 4.2894 4.4631 4.5904 4.8549 5.4150 5.6127 6.3640 6.5023 10.2398 10.2427 11.9540 11.9856 14.1299 14.1911 14.5098 14.5815 k = 0.6181-0.0842 0.4082 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2193 -1.1924 2.2717 2.4195 2.9032 3.0211 3.0943 3.3718 3.8303 3.9481 4.2944 4.4736 4.5962 4.8188 5.4126 5.6277 6.2959 6.4318 10.2437 10.2443 11.8170 11.8386 14.2354 14.3023 14.6145 14.6881 k = 0.6111-0.0962 0.4082 ( 7986 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2116 -1.1855 2.2512 2.3862 2.9112 3.0329 3.1128 3.3645 3.8721 3.9785 4.3028 4.4844 4.6025 4.7840 5.4130 5.6430 6.2302 6.3635 10.2454 10.2471 11.6799 11.6931 14.3434 14.4157 14.7223 14.7967 k = 0.6042-0.1083 0.4082 ( 7986 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.2048 -1.1797 2.2312 2.3536 2.9209 3.0439 3.1288 3.3564 3.9163 4.0089 4.3144 4.4954 4.6091 4.7507 5.4160 5.6583 6.1672 6.2975 10.2459 10.2501 11.5439 11.5506 14.4534 14.5311 14.8329 14.9069 k = 0.5972-0.1203 0.4082 ( 7990 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1990 -1.1749 2.2118 2.3223 2.9321 3.0542 3.1423 3.3473 3.9626 4.0387 4.3291 4.5063 4.6160 4.7190 5.4217 5.6732 6.1069 6.2339 10.2458 10.2526 11.4105 11.4121 14.5650 14.6481 14.9455 15.0180 k = 0.5903-0.1323 0.4082 ( 7986 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1939 -1.1710 2.1933 2.2923 2.9443 3.0639 3.1535 3.3374 4.0104 4.0672 4.3466 4.5169 4.6232 4.6890 5.4298 5.6876 6.0497 6.1729 10.2449 10.2546 11.2787 11.2808 14.6777 14.7663 15.0598 15.1295 k = 0.5833-0.1443 0.4082 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1895 -1.1680 2.1757 2.2640 2.9575 3.0730 3.1626 3.3267 4.0593 4.0944 4.3665 4.5267 4.6304 4.6612 5.4406 5.7011 5.9957 6.1146 10.2432 10.2559 11.1517 11.1560 14.7911 14.8854 15.1753 15.2409 k = 0.5764-0.1564 0.4082 ( 7986 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1857 -1.1657 2.1592 2.2375 2.9715 3.0818 3.1696 3.3151 4.1085 4.1199 4.3880 4.5346 4.6361 4.6373 5.4539 5.7134 5.9452 6.0592 10.2405 10.2565 11.0320 11.0370 14.9044 15.0045 15.2916 15.3514 k = 0.5694-0.1684 0.4082 ( 7990 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1825 -1.1639 2.1439 2.2129 2.9861 3.0902 3.1748 3.3028 4.1441 4.1577 4.4105 4.5390 4.6154 4.6437 5.4696 5.7242 5.8985 6.0068 10.2366 10.2561 10.9207 10.9252 15.0168 15.1230 15.4080 15.4602 k = 0.5625-0.1804 0.4082 ( 7992 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1797 -1.1628 2.1300 2.1902 3.0012 3.0983 3.1784 3.2897 4.1670 4.2061 4.4333 4.5367 4.6021 4.6490 5.4877 5.7333 5.8559 5.9577 10.2311 10.2544 10.8191 10.8215 15.1274 15.2395 15.5239 15.5666 k = 0.5556-0.1925 0.4082 ( 7978 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1774 -1.1621 2.1175 2.1696 3.0168 3.1061 3.1805 3.2760 4.1889 4.2531 4.4557 4.5259 4.5975 4.6527 5.5080 5.7403 5.8176 5.9120 10.2237 10.2510 10.7274 10.7282 15.2351 15.3525 15.6385 15.6697 k = 0.5486-0.2045 0.4082 ( 7982 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1753 -1.1618 2.1066 2.1510 3.0328 3.1138 3.1812 3.2617 4.2100 4.2978 4.4772 4.5101 4.5984 4.6543 5.5302 5.7448 5.7841 5.8700 10.2142 10.2452 10.6443 10.6492 15.3385 15.4597 15.7508 15.7689 k = 0.5417-0.2165 0.4082 ( 7970 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1735 -1.1618 2.0973 2.1346 3.0490 3.1212 3.1808 3.2468 4.2306 4.3389 4.4937 4.4976 4.6010 4.6533 5.5538 5.7458 5.7564 5.8319 10.2025 10.2363 10.5737 10.5828 15.4363 15.5583 15.8591 15.8634 k = 0.5347-0.2285 0.4082 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1719 -1.1621 2.0898 2.1202 3.0655 3.1284 3.1794 3.2315 4.2508 4.3734 4.4810 4.5166 4.6031 4.6492 5.5783 5.7306 5.7471 5.7979 10.1890 10.2237 10.5171 10.5295 15.5268 15.6448 15.9528 15.9614 k = 0.5278-0.2406 0.4082 ( 7962 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1705 -1.1626 2.0840 2.1080 3.0822 3.1353 3.1770 3.2157 4.2706 4.3939 4.4797 4.5340 4.6039 4.6416 5.6030 5.7127 5.7428 5.7683 10.1748 10.2075 10.4749 10.4886 15.6081 15.7157 16.0361 16.0544 k = 0.5208-0.2526 0.4082 ( 7954 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8917 -1.1692 -1.1632 2.0801 2.0978 3.0990 3.1419 3.1738 3.1997 4.2902 4.3941 4.4959 4.5496 4.6029 4.6304 5.6274 5.7000 5.7356 5.7434 10.1617 10.1893 10.4463 10.4588 15.6785 15.7680 16.1110 16.1339 k = 0.5139-0.2646 0.4082 ( 7966 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1680 -1.1640 2.0780 2.0898 3.1158 3.1482 3.1699 3.1834 4.3096 4.3821 4.5213 4.5632 4.5999 4.6157 5.6505 5.6926 5.7236 5.7255 10.1521 10.1718 10.4291 10.4385 15.7359 15.8002 16.1735 16.1944 k = 0.5069-0.2766 0.4082 ( 7986 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1669 -1.1649 2.0780 2.0838 3.1327 3.1538 3.1654 3.1672 4.3288 4.3657 4.5477 4.5739 4.5949 4.5983 5.6713 5.6899 5.7094 5.7131 10.1476 10.1578 10.4210 10.4260 15.7785 15.8121 16.2179 16.2305 k = 0.5000-0.2887 0.4082 ( 7992 PWs) bands (ev): -38.2361 -38.2361 -37.8918 -37.8918 -1.1658 -1.1658 2.0799 2.0799 3.1490 3.1490 3.1608 3.1608 4.3476 4.3476 4.5706 4.5706 4.5893 4.5893 5.6865 5.6865 5.7040 5.7040 10.1494 10.1494 10.4202 10.4202 15.8045 15.8045 16.2382 16.2382 Writing output data file Li2SbAu.save init_run : 1.02s CPU 0.63s WALL ( 1 calls) electrons : 295.90s CPU 186.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.13s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 295.89s CPU 186.67s 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 : 0.30s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.39s CPU 0.52s WALL ( 328 calls) cegterg : 255.60s CPU 162.84s WALL ( 546 calls) Called by sum_band: Called by *egterg: h_psi : 210.96s CPU 123.44s WALL ( 8784 calls) s_psi : 6.64s CPU 4.22s WALL ( 8784 calls) g_psi : 0.44s CPU 0.32s WALL ( 7910 calls) cdiaghg : 44.42s CPU 33.95s WALL ( 8238 calls) cegterg:over : 8.69s CPU 6.01s WALL ( 7910 calls) cegterg:upda : 8.26s CPU 6.12s WALL ( 7910 calls) cegterg:last : 3.98s CPU 2.98s WALL ( 1530 calls) cdiaghg:chol : 2.73s CPU 2.12s WALL ( 8238 calls) cdiaghg:inve : 1.00s CPU 0.71s WALL ( 8238 calls) cdiaghg:para : 2.58s CPU 2.04s WALL ( 16476 calls) Called by h_psi: h_psi:vloc : 195.64s CPU 113.36s WALL ( 8784 calls) h_psi:vnl : 14.92s CPU 9.81s WALL ( 8784 calls) add_vuspsi : 7.99s CPU 5.17s WALL ( 8784 calls) General routines calbec : 6.89s CPU 4.61s WALL ( 8784 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 185.22s CPU 106.89s WALL ( 560268 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.44s CPU 0.97s WALL ( 656 calls) Parallel routines fft_scatter : 67.18s CPU 43.12s WALL ( 560291 calls) PWSCF : 5m12.40s CPU 3m36.06s WALL This run was terminated on: 6:15:50 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=