Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:39:55 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: ./YSbPt.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 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 62 23 7 1968 452 73 Max 63 24 8 1973 465 76 Sum 2245 847 253 70913 16529 2685 bravais-lattice index = 14 lattice parameter (alat) = 8.7069 a.u. unit-cell volume = 466.7451 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.706927 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 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. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Sb 5.00 121.76000 Sb( 1.00) Pt 10.00 195.08400 Pt( 1.00) Y 11.00 88.90590 Y( 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= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030581 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030581 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030581 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030581 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030581 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030581 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030581 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030581 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030581 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030581 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030581 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030581 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030581 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030581 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030581 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030581 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030581 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030581 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030581 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030581 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030581 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030581 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030581 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030581 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030581 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030581 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030581 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030581 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030581 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030581 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030581 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030581 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030581 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030581 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030581 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030581 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030581 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030581 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030581 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030581 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030581 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030581 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030581 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030581 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030581 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030581 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030581 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030581 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030581 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030581 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030581 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030581 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030581 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030581 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030581 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030581 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030581 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030581 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030581 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030581 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030581 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030581 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030581 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030581 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030581 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030581 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030581 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030581 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030581 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030581 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030581 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030581 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030581 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030581 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030581 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030581 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030581 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030581 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030581 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030581 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030581 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030581 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030581 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030581 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030581 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030581 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030581 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030581 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030581 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030581 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030581 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030581 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030581 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030581 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030581 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030581 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030581 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030581 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030581 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030581 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030581 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030581 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030581 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030581 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030581 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030581 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030581 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030581 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030581 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030581 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030581 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030581 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030581 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030581 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030581 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030581 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030581 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030581 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030581 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030581 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030581 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030581 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030581 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030581 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030581 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030581 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030581 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030581 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030581 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030581 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030581 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030581 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0030581 k( 151) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0030581 k( 152) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0030581 k( 153) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0030581 k( 154) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0030581 k( 155) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0030581 k( 156) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0030581 k( 157) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0030581 k( 158) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0030581 k( 159) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0030581 k( 160) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0030581 k( 161) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0030581 k( 162) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0030581 k( 163) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0030581 k( 164) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0030581 k( 165) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0030581 k( 166) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0030581 k( 167) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0030581 k( 168) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0030581 k( 169) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0030581 k( 170) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0030581 k( 171) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0030581 k( 172) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0030581 k( 173) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0030581 k( 174) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0030581 k( 175) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0030581 k( 176) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0030581 k( 177) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0030581 k( 178) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0030581 k( 179) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0030581 k( 180) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0030581 k( 181) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0030581 k( 182) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0030581 k( 183) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0030581 k( 184) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0030581 k( 185) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0030581 k( 186) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0030581 k( 187) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0030581 k( 188) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0030581 k( 189) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0030581 k( 190) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0030581 k( 191) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 193) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030581 k( 194) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030581 k( 195) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030581 k( 196) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030581 k( 197) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030581 k( 198) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030581 k( 199) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030581 k( 200) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030581 k( 201) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030581 k( 202) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030581 k( 203) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030581 k( 204) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030581 k( 205) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030581 k( 206) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030581 k( 207) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030581 k( 208) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030581 k( 209) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030581 k( 210) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030581 k( 211) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030581 k( 212) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030581 k( 213) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030581 k( 214) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030581 k( 215) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030581 k( 216) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030581 k( 217) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030581 k( 218) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030581 k( 219) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030581 k( 220) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030581 k( 221) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030581 k( 222) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 224) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030581 k( 225) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030581 k( 226) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030581 k( 227) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030581 k( 228) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030581 k( 229) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030581 k( 230) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030581 k( 231) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030581 k( 232) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030581 k( 233) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030581 k( 234) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030581 k( 235) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030581 k( 236) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030581 k( 237) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030581 k( 238) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030581 k( 239) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030581 k( 240) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030581 k( 241) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 243) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030581 k( 244) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030581 k( 245) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030581 k( 246) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030581 k( 247) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030581 k( 248) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030581 k( 249) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030581 k( 250) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030581 k( 251) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030581 k( 252) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030581 k( 253) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030581 k( 254) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030581 k( 255) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030581 k( 256) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030581 k( 257) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030581 k( 258) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030581 k( 259) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030581 k( 260) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030581 k( 261) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030581 k( 262) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030581 k( 263) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030581 k( 264) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030581 k( 265) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030581 k( 266) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030581 k( 267) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030581 k( 268) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030581 k( 269) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030581 k( 270) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030581 k( 271) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030581 k( 272) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030581 k( 273) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030581 k( 274) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030581 k( 275) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030581 k( 276) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030581 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 279) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030581 k( 280) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030581 k( 281) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030581 k( 282) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030581 k( 283) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030581 k( 284) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030581 k( 285) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030581 k( 286) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030581 k( 287) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030581 k( 288) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030581 k( 289) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030581 k( 290) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030581 k( 291) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030581 k( 292) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030581 k( 293) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030581 k( 294) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030581 k( 295) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030581 k( 296) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030581 k( 297) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030581 k( 298) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030581 k( 299) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030581 k( 300) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030581 k( 301) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030581 k( 302) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030581 k( 303) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030581 k( 304) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030581 k( 305) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030581 k( 306) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030581 k( 307) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030581 k( 308) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 309) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 310) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030581 k( 311) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030581 k( 312) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030581 k( 313) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030581 k( 314) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030581 k( 315) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030581 k( 316) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030581 k( 317) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030581 k( 318) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030581 k( 319) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030581 k( 320) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030581 k( 321) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030581 k( 322) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030581 k( 323) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030581 k( 324) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030581 k( 325) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030581 k( 326) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030581 k( 327) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030581 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030581 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030581 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030581 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030581 k( 8) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030581 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030581 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030581 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030581 k( 15) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030581 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030581 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030581 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030581 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030581 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030581 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030581 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030581 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030581 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030581 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030581 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030581 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030581 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030581 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030581 k( 31) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0030581 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030581 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030581 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030581 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030581 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030581 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030581 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030581 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030581 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030581 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030581 k( 42) = ( 0.4183674 -0.0000000 0.4183673), wk = 0.0030581 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030581 k( 44) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0030581 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030581 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030581 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030581 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030581 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030581 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030581 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030581 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030581 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030581 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030581 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030581 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030581 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030581 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030581 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030581 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030581 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030581 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030581 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030581 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030581 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030581 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030581 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030581 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030581 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030581 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030581 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030581 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030581 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030581 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030581 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030581 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030581 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030581 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030581 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030581 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030581 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030581 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030581 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030581 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030581 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030581 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030581 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030581 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030581 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030581 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030581 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030581 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030581 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030581 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030581 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030581 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030581 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030581 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030581 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030581 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030581 k( 107) = ( 0.2956731 0.2956731 0.5913462), wk = 0.0030581 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030581 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030581 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030581 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030581 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030581 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030581 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030581 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030581 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030581 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030581 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030581 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030581 k( 120) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0030581 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030581 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030581 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030581 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030581 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030581 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030581 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030581 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030581 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030581 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030581 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030581 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030581 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030581 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030581 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030581 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030581 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030581 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030581 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030581 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030581 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030581 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030581 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030581 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030581 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030581 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030581 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0030581 k( 151) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0030581 k( 152) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030581 k( 153) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0030581 k( 154) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0030581 k( 155) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030581 k( 156) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030581 k( 157) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0030581 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030581 k( 159) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0030581 k( 160) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0030581 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030581 k( 162) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0030581 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030581 k( 164) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030581 k( 165) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0030581 k( 166) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0030581 k( 167) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030581 k( 168) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0030581 k( 169) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0030581 k( 170) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 171) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0030581 k( 172) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0030581 k( 173) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030581 k( 174) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0030581 k( 175) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0030581 k( 176) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030581 k( 177) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030581 k( 178) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0030581 k( 179) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030581 k( 180) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0030581 k( 181) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0030581 k( 182) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030581 k( 183) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0030581 k( 184) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030581 k( 185) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030581 k( 186) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0030581 k( 187) = ( 0.4523810 0.4523809 0.4523809), wk = 0.0030581 k( 188) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030581 k( 189) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0030581 k( 190) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0030581 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 193) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030581 k( 194) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030581 k( 195) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030581 k( 196) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030581 k( 197) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030581 k( 198) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030581 k( 199) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030581 k( 200) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030581 k( 201) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030581 k( 202) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030581 k( 203) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030581 k( 204) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030581 k( 205) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030581 k( 206) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030581 k( 207) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030581 k( 208) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030581 k( 209) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030581 k( 210) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030581 k( 211) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030581 k( 212) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030581 k( 213) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030581 k( 214) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030581 k( 215) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030581 k( 216) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030581 k( 217) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030581 k( 218) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030581 k( 219) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030581 k( 220) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030581 k( 221) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030581 k( 222) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 224) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030581 k( 225) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030581 k( 226) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030581 k( 227) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030581 k( 228) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030581 k( 229) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030581 k( 230) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030581 k( 231) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030581 k( 232) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030581 k( 233) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030581 k( 234) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030581 k( 235) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030581 k( 236) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030581 k( 237) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030581 k( 238) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030581 k( 239) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030581 k( 240) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030581 k( 241) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 243) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030581 k( 244) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030581 k( 245) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030581 k( 246) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030581 k( 247) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030581 k( 248) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030581 k( 249) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030581 k( 250) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030581 k( 251) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030581 k( 252) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030581 k( 253) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030581 k( 254) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030581 k( 255) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030581 k( 256) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030581 k( 257) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030581 k( 258) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030581 k( 259) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030581 k( 260) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030581 k( 261) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030581 k( 262) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030581 k( 263) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030581 k( 264) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030581 k( 265) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030581 k( 266) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030581 k( 267) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030581 k( 268) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030581 k( 269) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030581 k( 270) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030581 k( 271) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030581 k( 272) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030581 k( 273) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030581 k( 274) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030581 k( 275) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030581 k( 276) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030581 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 279) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030581 k( 280) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030581 k( 281) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030581 k( 282) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030581 k( 283) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030581 k( 284) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030581 k( 285) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030581 k( 286) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030581 k( 287) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030581 k( 288) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030581 k( 289) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030581 k( 290) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030581 k( 291) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030581 k( 292) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030581 k( 293) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030581 k( 294) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030581 k( 295) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030581 k( 296) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030581 k( 297) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030581 k( 298) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030581 k( 299) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030581 k( 300) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030581 k( 301) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030581 k( 302) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030581 k( 303) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030581 k( 304) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030581 k( 305) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030581 k( 306) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030581 k( 307) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030581 k( 308) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 309) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 310) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030581 k( 311) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030581 k( 312) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030581 k( 313) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030581 k( 314) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030581 k( 315) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030581 k( 316) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030581 k( 317) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030581 k( 318) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030581 k( 319) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030581 k( 320) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030581 k( 321) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030581 k( 322) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030581 k( 323) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030581 k( 324) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030581 k( 325) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030581 k( 326) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030581 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 Dense grid: 70913 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 16529 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 128, 34) NL pseudopotentials 0.10 Mb ( 64, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 1969) G-vector shells 0.00 Mb ( 509) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 128, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./YSbPt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 10.0 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.8 secs Computing kpt #: 35 total cpu time spent up to now is 17.2 secs Computing kpt #: 36 total cpu time spent up to now is 17.5 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.5 secs Computing kpt #: 39 total cpu time spent up to now is 18.8 secs Computing kpt #: 40 total cpu time spent up to now is 19.2 secs Computing kpt #: 41 total cpu time spent up to now is 19.6 secs Computing kpt #: 42 total cpu time spent up to now is 20.0 secs Computing kpt #: 43 total cpu time spent up to now is 20.4 secs Computing kpt #: 44 total cpu time spent up to now is 20.7 secs Computing kpt #: 45 total cpu time spent up to now is 21.1 secs Computing kpt #: 46 total cpu time spent up to now is 21.4 secs Computing kpt #: 47 total cpu time spent up to now is 21.8 secs Computing kpt #: 48 total cpu time spent up to now is 22.2 secs Computing kpt #: 49 total cpu time spent up to now is 22.5 secs Computing kpt #: 50 total cpu time spent up to now is 22.9 secs Computing kpt #: 51 total cpu time spent up to now is 23.2 secs Computing kpt #: 52 total cpu time spent up to now is 23.6 secs Computing kpt #: 53 total cpu time spent up to now is 23.9 secs Computing kpt #: 54 total cpu time spent up to now is 24.3 secs Computing kpt #: 55 total cpu time spent up to now is 24.6 secs Computing kpt #: 56 total cpu time spent up to now is 25.0 secs Computing kpt #: 57 total cpu time spent up to now is 25.3 secs Computing kpt #: 58 total cpu time spent up to now is 25.8 secs Computing kpt #: 59 total cpu time spent up to now is 26.2 secs Computing kpt #: 60 total cpu time spent up to now is 26.7 secs Computing kpt #: 61 total cpu time spent up to now is 27.1 secs Computing kpt #: 62 total cpu time spent up to now is 27.6 secs Computing kpt #: 63 total cpu time spent up to now is 28.0 secs Computing kpt #: 64 total cpu time spent up to now is 28.5 secs Computing kpt #: 65 total cpu time spent up to now is 29.0 secs Computing kpt #: 66 total cpu time spent up to now is 29.4 secs Computing kpt #: 67 total cpu time spent up to now is 29.8 secs Computing kpt #: 68 total cpu time spent up to now is 30.2 secs Computing kpt #: 69 total cpu time spent up to now is 30.6 secs Computing kpt #: 70 total cpu time spent up to now is 31.0 secs Computing kpt #: 71 total cpu time spent up to now is 31.4 secs Computing kpt #: 72 total cpu time spent up to now is 31.8 secs Computing kpt #: 73 total cpu time spent up to now is 32.2 secs Computing kpt #: 74 total cpu time spent up to now is 32.6 secs Computing kpt #: 75 total cpu time spent up to now is 33.0 secs Computing kpt #: 76 total cpu time spent up to now is 33.4 secs Computing kpt #: 77 total cpu time spent up to now is 33.8 secs Computing kpt #: 78 total cpu time spent up to now is 34.5 secs Computing kpt #: 79 total cpu time spent up to now is 35.0 secs Computing kpt #: 80 total cpu time spent up to now is 35.4 secs Computing kpt #: 81 total cpu time spent up to now is 35.8 secs Computing kpt #: 82 total cpu time spent up to now is 36.2 secs Computing kpt #: 83 total cpu time spent up to now is 36.7 secs Computing kpt #: 84 total cpu time spent up to now is 37.1 secs Computing kpt #: 85 total cpu time spent up to now is 37.5 secs Computing kpt #: 86 total cpu time spent up to now is 37.8 secs Computing kpt #: 87 total cpu time spent up to now is 38.3 secs Computing kpt #: 88 total cpu time spent up to now is 38.7 secs Computing kpt #: 89 total cpu time spent up to now is 39.1 secs Computing kpt #: 90 total cpu time spent up to now is 39.6 secs Computing kpt #: 91 total cpu time spent up to now is 40.0 secs Computing kpt #: 92 total cpu time spent up to now is 40.5 secs Computing kpt #: 93 total cpu time spent up to now is 41.0 secs Computing kpt #: 94 total cpu time spent up to now is 41.4 secs Computing kpt #: 95 total cpu time spent up to now is 41.8 secs Computing kpt #: 96 total cpu time spent up to now is 42.2 secs Computing kpt #: 97 total cpu time spent up to now is 42.7 secs Computing kpt #: 98 total cpu time spent up to now is 43.1 secs Computing kpt #: 99 total cpu time spent up to now is 43.6 secs Computing kpt #: 100 total cpu time spent up to now is 44.1 secs Computing kpt #: 101 total cpu time spent up to now is 44.6 secs Computing kpt #: 102 total cpu time spent up to now is 45.0 secs Computing kpt #: 103 total cpu time spent up to now is 45.4 secs Computing kpt #: 104 total cpu time spent up to now is 45.8 secs Computing kpt #: 105 total cpu time spent up to now is 46.1 secs Computing kpt #: 106 total cpu time spent up to now is 46.5 secs Computing kpt #: 107 total cpu time spent up to now is 47.0 secs Computing kpt #: 108 total cpu time spent up to now is 47.3 secs Computing kpt #: 109 total cpu time spent up to now is 47.7 secs Computing kpt #: 110 total cpu time spent up to now is 48.2 secs Computing kpt #: 111 total cpu time spent up to now is 48.7 secs Computing kpt #: 112 total cpu time spent up to now is 49.1 secs Computing kpt #: 113 total cpu time spent up to now is 49.6 secs Computing kpt #: 114 total cpu time spent up to now is 50.1 secs Computing kpt #: 115 total cpu time spent up to now is 50.5 secs Computing kpt #: 116 total cpu time spent up to now is 51.0 secs Computing kpt #: 117 total cpu time spent up to now is 51.5 secs Computing kpt #: 118 total cpu time spent up to now is 51.9 secs Computing kpt #: 119 total cpu time spent up to now is 52.2 secs Computing kpt #: 120 total cpu time spent up to now is 52.6 secs Computing kpt #: 121 total cpu time spent up to now is 53.0 secs Computing kpt #: 122 total cpu time spent up to now is 53.3 secs Computing kpt #: 123 total cpu time spent up to now is 53.7 secs Computing kpt #: 124 total cpu time spent up to now is 54.0 secs Computing kpt #: 125 total cpu time spent up to now is 54.3 secs Computing kpt #: 126 total cpu time spent up to now is 54.6 secs Computing kpt #: 127 total cpu time spent up to now is 54.9 secs Computing kpt #: 128 total cpu time spent up to now is 55.2 secs Computing kpt #: 129 total cpu time spent up to now is 55.5 secs Computing kpt #: 130 total cpu time spent up to now is 55.8 secs Computing kpt #: 131 total cpu time spent up to now is 56.1 secs Computing kpt #: 132 total cpu time spent up to now is 56.4 secs Computing kpt #: 133 total cpu time spent up to now is 56.7 secs Computing kpt #: 134 total cpu time spent up to now is 57.0 secs Computing kpt #: 135 total cpu time spent up to now is 57.4 secs Computing kpt #: 136 total cpu time spent up to now is 57.8 secs Computing kpt #: 137 total cpu time spent up to now is 58.1 secs Computing kpt #: 138 total cpu time spent up to now is 58.5 secs Computing kpt #: 139 total cpu time spent up to now is 58.9 secs Computing kpt #: 140 total cpu time spent up to now is 59.3 secs Computing kpt #: 141 total cpu time spent up to now is 59.7 secs Computing kpt #: 142 total cpu time spent up to now is 60.0 secs Computing kpt #: 143 total cpu time spent up to now is 60.3 secs Computing kpt #: 144 total cpu time spent up to now is 60.6 secs Computing kpt #: 145 total cpu time spent up to now is 60.9 secs Computing kpt #: 146 total cpu time spent up to now is 61.2 secs Computing kpt #: 147 total cpu time spent up to now is 61.5 secs Computing kpt #: 148 total cpu time spent up to now is 61.8 secs Computing kpt #: 149 total cpu time spent up to now is 62.1 secs Computing kpt #: 150 total cpu time spent up to now is 62.4 secs Computing kpt #: 151 total cpu time spent up to now is 62.7 secs Computing kpt #: 152 total cpu time spent up to now is 63.0 secs Computing kpt #: 153 total cpu time spent up to now is 63.3 secs Computing kpt #: 154 total cpu time spent up to now is 63.6 secs Computing kpt #: 155 total cpu time spent up to now is 63.9 secs Computing kpt #: 156 total cpu time spent up to now is 64.4 secs Computing kpt #: 157 total cpu time spent up to now is 64.7 secs Computing kpt #: 158 total cpu time spent up to now is 65.0 secs Computing kpt #: 159 total cpu time spent up to now is 65.3 secs Computing kpt #: 160 total cpu time spent up to now is 65.8 secs Computing kpt #: 161 total cpu time spent up to now is 66.2 secs Computing kpt #: 162 total cpu time spent up to now is 66.6 secs Computing kpt #: 163 total cpu time spent up to now is 67.0 secs Computing kpt #: 164 total cpu time spent up to now is 67.4 secs Computing kpt #: 165 total cpu time spent up to now is 67.8 secs Computing kpt #: 166 total cpu time spent up to now is 68.3 secs Computing kpt #: 167 total cpu time spent up to now is 68.7 secs Computing kpt #: 168 total cpu time spent up to now is 69.1 secs Computing kpt #: 169 total cpu time spent up to now is 69.5 secs Computing kpt #: 170 total cpu time spent up to now is 69.9 secs Computing kpt #: 171 total cpu time spent up to now is 70.4 secs Computing kpt #: 172 total cpu time spent up to now is 70.8 secs Computing kpt #: 173 total cpu time spent up to now is 71.3 secs Computing kpt #: 174 total cpu time spent up to now is 71.7 secs Computing kpt #: 175 total cpu time spent up to now is 72.0 secs Computing kpt #: 176 total cpu time spent up to now is 72.4 secs Computing kpt #: 177 total cpu time spent up to now is 72.8 secs Computing kpt #: 178 total cpu time spent up to now is 73.1 secs Computing kpt #: 179 total cpu time spent up to now is 73.5 secs Computing kpt #: 180 total cpu time spent up to now is 73.7 secs Computing kpt #: 181 total cpu time spent up to now is 74.1 secs Computing kpt #: 182 total cpu time spent up to now is 74.4 secs Computing kpt #: 183 total cpu time spent up to now is 74.7 secs Computing kpt #: 184 total cpu time spent up to now is 75.0 secs Computing kpt #: 185 total cpu time spent up to now is 75.3 secs Computing kpt #: 186 total cpu time spent up to now is 75.6 secs Computing kpt #: 187 total cpu time spent up to now is 75.9 secs Computing kpt #: 188 total cpu time spent up to now is 76.1 secs Computing kpt #: 189 total cpu time spent up to now is 76.4 secs Computing kpt #: 190 total cpu time spent up to now is 76.7 secs Computing kpt #: 191 total cpu time spent up to now is 77.0 secs Computing kpt #: 192 total cpu time spent up to now is 77.3 secs Computing kpt #: 193 total cpu time spent up to now is 77.6 secs Computing kpt #: 194 total cpu time spent up to now is 77.9 secs Computing kpt #: 195 total cpu time spent up to now is 78.2 secs Computing kpt #: 196 total cpu time spent up to now is 78.5 secs Computing kpt #: 197 total cpu time spent up to now is 78.8 secs Computing kpt #: 198 total cpu time spent up to now is 79.1 secs Computing kpt #: 199 total cpu time spent up to now is 79.4 secs Computing kpt #: 200 total cpu time spent up to now is 79.7 secs Computing kpt #: 201 total cpu time spent up to now is 80.1 secs Computing kpt #: 202 total cpu time spent up to now is 80.4 secs Computing kpt #: 203 total cpu time spent up to now is 80.7 secs Computing kpt #: 204 total cpu time spent up to now is 81.0 secs Computing kpt #: 205 total cpu time spent up to now is 81.4 secs Computing kpt #: 206 total cpu time spent up to now is 81.8 secs Computing kpt #: 207 total cpu time spent up to now is 82.2 secs Computing kpt #: 208 total cpu time spent up to now is 82.6 secs Computing kpt #: 209 total cpu time spent up to now is 83.1 secs Computing kpt #: 210 total cpu time spent up to now is 83.5 secs Computing kpt #: 211 total cpu time spent up to now is 83.9 secs Computing kpt #: 212 total cpu time spent up to now is 84.5 secs Computing kpt #: 213 total cpu time spent up to now is 85.0 secs Computing kpt #: 214 total cpu time spent up to now is 85.5 secs Computing kpt #: 215 total cpu time spent up to now is 86.1 secs Computing kpt #: 216 total cpu time spent up to now is 86.7 secs Computing kpt #: 217 total cpu time spent up to now is 87.1 secs Computing kpt #: 218 total cpu time spent up to now is 87.6 secs Computing kpt #: 219 total cpu time spent up to now is 88.1 secs Computing kpt #: 220 total cpu time spent up to now is 88.5 secs Computing kpt #: 221 total cpu time spent up to now is 89.0 secs Computing kpt #: 222 total cpu time spent up to now is 89.4 secs Computing kpt #: 223 total cpu time spent up to now is 89.8 secs Computing kpt #: 224 total cpu time spent up to now is 90.2 secs Computing kpt #: 225 total cpu time spent up to now is 90.7 secs Computing kpt #: 226 total cpu time spent up to now is 91.2 secs Computing kpt #: 227 total cpu time spent up to now is 91.7 secs Computing kpt #: 228 total cpu time spent up to now is 92.1 secs Computing kpt #: 229 total cpu time spent up to now is 92.5 secs Computing kpt #: 230 total cpu time spent up to now is 93.0 secs Computing kpt #: 231 total cpu time spent up to now is 93.4 secs Computing kpt #: 232 total cpu time spent up to now is 93.9 secs Computing kpt #: 233 total cpu time spent up to now is 94.3 secs Computing kpt #: 234 total cpu time spent up to now is 94.8 secs Computing kpt #: 235 total cpu time spent up to now is 95.2 secs Computing kpt #: 236 total cpu time spent up to now is 95.6 secs Computing kpt #: 237 total cpu time spent up to now is 96.0 secs Computing kpt #: 238 total cpu time spent up to now is 96.5 secs Computing kpt #: 239 total cpu time spent up to now is 96.9 secs Computing kpt #: 240 total cpu time spent up to now is 97.2 secs Computing kpt #: 241 total cpu time spent up to now is 97.7 secs Computing kpt #: 242 total cpu time spent up to now is 98.0 secs Computing kpt #: 243 total cpu time spent up to now is 98.4 secs Computing kpt #: 244 total cpu time spent up to now is 98.8 secs Computing kpt #: 245 total cpu time spent up to now is 99.3 secs Computing kpt #: 246 total cpu time spent up to now is 99.7 secs Computing kpt #: 247 total cpu time spent up to now is 100.1 secs Computing kpt #: 248 total cpu time spent up to now is 100.5 secs Computing kpt #: 249 total cpu time spent up to now is 101.0 secs Computing kpt #: 250 total cpu time spent up to now is 101.4 secs Computing kpt #: 251 total cpu time spent up to now is 101.9 secs Computing kpt #: 252 total cpu time spent up to now is 102.3 secs Computing kpt #: 253 total cpu time spent up to now is 102.7 secs Computing kpt #: 254 total cpu time spent up to now is 103.2 secs Computing kpt #: 255 total cpu time spent up to now is 103.7 secs Computing kpt #: 256 total cpu time spent up to now is 104.2 secs Computing kpt #: 257 total cpu time spent up to now is 104.7 secs Computing kpt #: 258 total cpu time spent up to now is 105.1 secs Computing kpt #: 259 total cpu time spent up to now is 105.6 secs Computing kpt #: 260 total cpu time spent up to now is 106.0 secs Computing kpt #: 261 total cpu time spent up to now is 106.4 secs Computing kpt #: 262 total cpu time spent up to now is 106.8 secs Computing kpt #: 263 total cpu time spent up to now is 107.2 secs Computing kpt #: 264 total cpu time spent up to now is 107.6 secs Computing kpt #: 265 total cpu time spent up to now is 107.9 secs Computing kpt #: 266 total cpu time spent up to now is 108.2 secs Computing kpt #: 267 total cpu time spent up to now is 108.5 secs Computing kpt #: 268 total cpu time spent up to now is 108.9 secs Computing kpt #: 269 total cpu time spent up to now is 109.2 secs Computing kpt #: 270 total cpu time spent up to now is 109.5 secs Computing kpt #: 271 total cpu time spent up to now is 109.7 secs Computing kpt #: 272 total cpu time spent up to now is 110.1 secs Computing kpt #: 273 total cpu time spent up to now is 110.4 secs Computing kpt #: 274 total cpu time spent up to now is 110.7 secs Computing kpt #: 275 total cpu time spent up to now is 110.9 secs Computing kpt #: 276 total cpu time spent up to now is 111.2 secs Computing kpt #: 277 total cpu time spent up to now is 111.5 secs Computing kpt #: 278 total cpu time spent up to now is 111.8 secs Computing kpt #: 279 total cpu time spent up to now is 112.1 secs Computing kpt #: 280 total cpu time spent up to now is 112.4 secs Computing kpt #: 281 total cpu time spent up to now is 112.7 secs Computing kpt #: 282 total cpu time spent up to now is 113.0 secs Computing kpt #: 283 total cpu time spent up to now is 113.3 secs Computing kpt #: 284 total cpu time spent up to now is 113.6 secs Computing kpt #: 285 total cpu time spent up to now is 113.9 secs Computing kpt #: 286 total cpu time spent up to now is 114.2 secs Computing kpt #: 287 total cpu time spent up to now is 114.5 secs Computing kpt #: 288 total cpu time spent up to now is 114.8 secs Computing kpt #: 289 total cpu time spent up to now is 115.1 secs Computing kpt #: 290 total cpu time spent up to now is 115.5 secs Computing kpt #: 291 total cpu time spent up to now is 115.9 secs Computing kpt #: 292 total cpu time spent up to now is 116.4 secs Computing kpt #: 293 total cpu time spent up to now is 116.8 secs Computing kpt #: 294 total cpu time spent up to now is 117.2 secs Computing kpt #: 295 total cpu time spent up to now is 117.7 secs Computing kpt #: 296 total cpu time spent up to now is 118.1 secs Computing kpt #: 297 total cpu time spent up to now is 118.6 secs Computing kpt #: 298 total cpu time spent up to now is 119.1 secs Computing kpt #: 299 total cpu time spent up to now is 119.6 secs Computing kpt #: 300 total cpu time spent up to now is 120.1 secs Computing kpt #: 301 total cpu time spent up to now is 120.7 secs Computing kpt #: 302 total cpu time spent up to now is 121.3 secs Computing kpt #: 303 total cpu time spent up to now is 121.9 secs Computing kpt #: 304 total cpu time spent up to now is 122.4 secs Computing kpt #: 305 total cpu time spent up to now is 122.9 secs Computing kpt #: 306 total cpu time spent up to now is 123.3 secs Computing kpt #: 307 total cpu time spent up to now is 123.6 secs Computing kpt #: 308 total cpu time spent up to now is 124.0 secs Computing kpt #: 309 total cpu time spent up to now is 124.4 secs Computing kpt #: 310 total cpu time spent up to now is 124.8 secs Computing kpt #: 311 total cpu time spent up to now is 125.2 secs Computing kpt #: 312 total cpu time spent up to now is 125.6 secs Computing kpt #: 313 total cpu time spent up to now is 126.1 secs Computing kpt #: 314 total cpu time spent up to now is 126.5 secs Computing kpt #: 315 total cpu time spent up to now is 127.0 secs Computing kpt #: 316 total cpu time spent up to now is 127.6 secs Computing kpt #: 317 total cpu time spent up to now is 128.1 secs Computing kpt #: 318 total cpu time spent up to now is 128.6 secs Computing kpt #: 319 total cpu time spent up to now is 129.0 secs Computing kpt #: 320 total cpu time spent up to now is 129.5 secs Computing kpt #: 321 total cpu time spent up to now is 129.9 secs Computing kpt #: 322 total cpu time spent up to now is 130.3 secs Computing kpt #: 323 total cpu time spent up to now is 130.7 secs Computing kpt #: 324 total cpu time spent up to now is 131.1 secs Computing kpt #: 325 total cpu time spent up to now is 131.5 secs Computing kpt #: 326 total cpu time spent up to now is 131.9 secs Computing kpt #: 327 total cpu time spent up to now is 132.2 secs ethr = 3.85E-08, avg # of iterations = 27.4 total cpu time spent up to now is 132.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -30.6307 -30.6307 -11.7031 -11.7031 -10.2819 -10.2819 -10.2819 -10.2819 0.6090 0.6090 6.8363 6.8363 6.8363 6.8363 7.3333 7.3333 8.0600 8.0600 8.0600 8.0600 11.1820 11.1820 11.8969 11.8969 11.8969 11.8969 12.1573 12.1573 13.2942 13.2942 13.4197 13.4197 13.4197 13.4197 k = 0.0102-0.0059 0.0083 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7031 -11.7031 -10.2820 -10.2820 -10.2819 -10.2819 0.6103 0.6103 6.8265 6.8265 6.8450 6.8450 7.3322 7.3322 8.0460 8.0460 8.0749 8.0749 11.1753 11.1753 11.8658 11.8658 11.8896 11.8896 12.1862 12.1862 13.3002 13.3002 13.4098 13.4098 13.4401 13.4401 k = 0.0204-0.0118 0.0167 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7032 -11.7032 -10.2821 -10.2821 -10.2820 -10.2820 0.6144 0.6144 6.8155 6.8155 6.8530 6.8530 7.3291 7.3291 8.0331 8.0331 8.0904 8.0904 11.1555 11.1555 11.7963 11.7963 11.8680 11.8680 12.2489 12.2489 13.3154 13.3154 13.4120 13.4120 13.4711 13.4711 k = 0.0306-0.0177 0.0250 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7033 -11.7033 -10.2824 -10.2824 -10.2820 -10.2820 0.6211 0.6211 6.8029 6.8029 6.8604 6.8604 7.3241 7.3241 8.0216 8.0216 8.1062 8.1062 11.1232 11.1232 11.7137 11.7137 11.8336 11.8336 12.3196 12.3197 13.3326 13.3326 13.4314 13.4314 13.5133 13.5133 k = 0.0408-0.0236 0.0333 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7034 -11.7034 -10.2827 -10.2827 -10.2821 -10.2821 0.6305 0.6305 6.7883 6.7883 6.8675 6.8675 7.3176 7.3176 8.0116 8.0116 8.1222 8.1222 11.0793 11.0793 11.6277 11.6277 11.7887 11.7887 12.3884 12.3884 13.3457 13.3457 13.4716 13.4716 13.5668 13.5668 k = 0.0510-0.0295 0.0417 ( 2085 PWs) bands (ev): -30.6305 -30.6305 -11.7036 -11.7036 -10.2832 -10.2832 -10.2823 -10.2823 0.6425 0.6425 6.7713 6.7713 6.8744 6.8744 7.3100 7.3100 8.0033 8.0033 8.1379 8.1379 11.0249 11.0249 11.5421 11.5421 11.7353 11.7353 12.4507 12.4507 13.3564 13.3564 13.5293 13.5293 13.6309 13.6309 k = 0.0612-0.0353 0.0500 ( 2081 PWs) bands (ev): -30.6305 -30.6305 -11.7038 -11.7038 -10.2838 -10.2838 -10.2824 -10.2824 0.6571 0.6571 6.7517 6.7517 6.8811 6.8811 7.3019 7.3019 7.9968 7.9968 8.1533 8.1533 10.9616 10.9616 11.4584 11.4584 11.6755 11.6755 12.5042 12.5042 13.3680 13.3680 13.5994 13.5994 13.7046 13.7046 k = 0.0714-0.0412 0.0583 ( 2073 PWs) bands (ev): -30.6304 -30.6304 -11.7040 -11.7040 -10.2845 -10.2845 -10.2826 -10.2826 0.6742 0.6742 6.7292 6.7292 6.8879 6.8879 7.2937 7.2937 7.9920 7.9920 8.1680 8.1680 10.8911 10.8911 11.3774 11.3774 11.6110 11.6110 12.5476 12.5476 13.3827 13.3827 13.6786 13.6786 13.7868 13.7868 k = 0.0816-0.0471 0.0667 ( 2073 PWs) bands (ev): -30.6303 -30.6303 -11.7043 -11.7043 -10.2852 -10.2852 -10.2828 -10.2828 0.6937 0.6937 6.7034 6.7034 6.8946 6.8946 7.2859 7.2859 7.9889 7.9889 8.1819 8.1819 10.8150 10.8150 11.2993 11.2993 11.5433 11.5433 12.5806 12.5806 13.4014 13.4014 13.7649 13.7649 13.8760 13.8760 k = 0.0918-0.0530 0.0750 ( 2065 PWs) bands (ev): -30.6302 -30.6302 -11.7046 -11.7046 -10.2861 -10.2861 -10.2831 -10.2831 0.7156 0.7156 6.6744 6.6744 6.9015 6.9015 7.2791 7.2791 7.9874 7.9874 8.1949 8.1949 10.7350 10.7350 11.2240 11.2240 11.4736 11.4736 12.6034 12.6034 13.4241 13.4241 13.8572 13.8572 13.9709 13.9709 k = 0.1020-0.0589 0.0833 ( 2065 PWs) bands (ev): -30.6301 -30.6301 -11.7049 -11.7049 -10.2870 -10.2870 -10.2833 -10.2833 0.7398 0.7398 6.6420 6.6420 6.9084 6.9084 7.2735 7.2735 7.9876 7.9876 8.2068 8.2068 10.6526 10.6526 11.1514 11.1514 11.4026 11.4026 12.6171 12.6171 13.4505 13.4505 13.9542 13.9542 14.0702 14.0702 k = 0.1122-0.0648 0.0916 ( 2065 PWs) bands (ev): -30.6301 -30.6301 -11.7053 -11.7053 -10.2880 -10.2880 -10.2836 -10.2836 0.7661 0.7661 6.6066 6.6066 6.9154 6.9154 7.2694 7.2694 7.9891 7.9891 8.2176 8.2176 10.5689 10.5689 11.0812 11.0812 11.3311 11.3311 12.6231 12.6231 13.4798 13.4798 14.0552 14.0552 14.1726 14.1726 k = 0.1224-0.0707 0.1000 ( 2045 PWs) bands (ev): -30.6299 -30.6299 -11.7057 -11.7057 -10.2891 -10.2891 -10.2839 -10.2839 0.7944 0.7944 6.5683 6.5683 6.9226 6.9226 7.2670 7.2670 7.9920 7.9920 8.2271 8.2271 10.4850 10.4850 11.0134 11.0134 11.2596 11.2596 12.6229 12.6229 13.5115 13.5115 14.1592 14.1592 14.2765 14.2765 k = 0.1327-0.0766 0.1083 ( 2045 PWs) bands (ev): -30.6298 -30.6298 -11.7061 -11.7061 -10.2902 -10.2902 -10.2843 -10.2843 0.8246 0.8246 6.5276 6.5276 6.9298 6.9298 7.2663 7.2663 7.9961 7.9961 8.2353 8.2353 10.4016 10.4016 10.9478 10.9478 11.1886 11.1886 12.6177 12.6178 13.5449 13.5449 14.2647 14.2647 14.3788 14.3788 k = 0.1429-0.0825 0.1166 ( 2045 PWs) bands (ev): -30.6297 -30.6297 -11.7066 -11.7066 -10.2914 -10.2914 -10.2846 -10.2846 0.8566 0.8566 6.4849 6.4849 6.9372 6.9372 7.2672 7.2672 8.0012 8.0012 8.2423 8.2423 10.3194 10.3194 10.8845 10.8845 11.1184 11.1184 12.6090 12.6090 13.5795 13.5795 14.3686 14.3686 14.4720 14.4720 k = 0.1531-0.0884 0.1250 ( 2045 PWs) bands (ev): -30.6296 -30.6296 -11.7071 -11.7071 -10.2927 -10.2927 -10.2850 -10.2850 0.8902 0.8902 6.4408 6.4408 6.9445 6.9445 7.2697 7.2697 8.0072 8.0072 8.2479 8.2479 10.2387 10.2387 10.8233 10.8233 11.0492 11.0492 12.5977 12.5977 13.6150 13.6150 14.4562 14.4562 14.5440 14.5440 k = 0.1633-0.0943 0.1333 ( 2053 PWs) bands (ev): -30.6295 -30.6295 -11.7076 -11.7076 -10.2940 -10.2940 -10.2854 -10.2854 0.9253 0.9253 6.3956 6.3956 6.9519 6.9519 7.2736 7.2736 8.0138 8.0138 8.2523 8.2523 10.1598 10.1598 10.7644 10.7644 10.9814 10.9814 12.5846 12.5846 13.6512 13.6512 14.4885 14.4885 14.6275 14.6275 k = 0.1735-0.1002 0.1416 ( 2061 PWs) bands (ev): -30.6294 -30.6294 -11.7081 -11.7081 -10.2954 -10.2954 -10.2858 -10.2858 0.9616 0.9616 6.3501 6.3501 6.9593 6.9593 7.2788 7.2788 8.0209 8.0209 8.2554 8.2554 10.0829 10.0829 10.7077 10.7077 10.9151 10.9151 12.5705 12.5705 13.6879 13.6879 14.4823 14.4823 14.7316 14.7316 k = 0.1837-0.1060 0.1500 ( 2061 PWs) bands (ev): -30.6292 -30.6292 -11.7086 -11.7086 -10.2968 -10.2968 -10.2862 -10.2862 0.9990 0.9990 6.3047 6.3047 6.9666 6.9666 7.2852 7.2852 8.0284 8.0284 8.2575 8.2575 10.0082 10.0082 10.6534 10.6534 10.8504 10.8504 12.5558 12.5558 13.7252 13.7252 14.4646 14.4646 14.8402 14.8402 k = 0.1939-0.1119 0.1583 ( 2053 PWs) bands (ev): -30.6291 -30.6291 -11.7092 -11.7092 -10.2982 -10.2982 -10.2866 -10.2866 1.0373 1.0373 6.2600 6.2600 6.9737 6.9737 7.2926 7.2926 8.0359 8.0359 8.2587 8.2587 9.9357 9.9357 10.6015 10.6015 10.7876 10.7876 12.5409 12.5409 13.7630 13.7630 14.4423 14.4423 14.9486 14.9486 k = 0.2041-0.1178 0.1666 ( 2049 PWs) bands (ev): -30.6289 -30.6289 -11.7097 -11.7097 -10.2997 -10.2997 -10.2871 -10.2871 1.0763 1.0763 6.2164 6.2164 6.9807 6.9807 7.3008 7.3008 8.0432 8.0432 8.2592 8.2592 9.8654 9.8654 10.5521 10.5521 10.7266 10.7266 12.5262 12.5262 13.8012 13.8012 14.4177 14.4177 15.0547 15.0547 k = 0.2143-0.1237 0.1750 ( 2061 PWs) bands (ev): -30.6288 -30.6288 -11.7103 -11.7103 -10.3012 -10.3012 -10.2875 -10.2875 1.1157 1.1157 6.1745 6.1745 6.9875 6.9875 7.3097 7.3097 8.0501 8.0501 8.2592 8.2592 9.7972 9.7972 10.5050 10.5051 10.6675 10.6675 12.5118 12.5118 13.8399 13.8399 14.3915 14.3915 15.1570 15.1570 k = 0.2245-0.1296 0.1833 ( 2053 PWs) bands (ev): -30.6286 -30.6286 -11.7109 -11.7109 -10.3027 -10.3027 -10.2880 -10.2880 1.1554 1.1554 6.1346 6.1346 6.9941 6.9941 7.3192 7.3192 8.0561 8.0561 8.2590 8.2590 9.7311 9.7311 10.4605 10.4605 10.6106 10.6106 12.4980 12.4980 13.8791 13.8791 14.3643 14.3643 15.2540 15.2540 k = 0.2347-0.1355 0.1916 ( 2045 PWs) bands (ev): -30.6285 -30.6285 -11.7114 -11.7114 -10.3041 -10.3041 -10.2884 -10.2884 1.1951 1.1951 6.0973 6.0973 7.0003 7.0003 7.3291 7.3291 8.0610 8.0610 8.2590 8.2590 9.6670 9.6670 10.4186 10.4186 10.5557 10.5557 12.4848 12.4848 13.9187 13.9187 14.3363 14.3363 15.3440 15.3440 k = 0.2449-0.1414 0.2000 ( 2045 PWs) bands (ev): -30.6283 -30.6283 -11.7120 -11.7120 -10.3056 -10.3056 -10.2889 -10.2889 1.2345 1.2345 6.0628 6.0628 7.0061 7.0061 7.3392 7.3392 8.0645 8.0645 8.2595 8.2595 9.6048 9.6048 10.3791 10.3791 10.5031 10.5031 12.4723 12.4723 13.9587 13.9587 14.3078 14.3078 15.4253 15.4253 k = 0.2551-0.1473 0.2083 ( 2045 PWs) bands (ev): -30.6282 -30.6282 -11.7126 -11.7126 -10.3071 -10.3071 -10.2894 -10.2894 1.2736 1.2736 6.0316 6.0316 7.0116 7.0116 7.3496 7.3496 8.0661 8.0661 8.2607 8.2607 9.5444 9.5444 10.3422 10.3422 10.4526 10.4526 12.4605 12.4605 13.9988 13.9988 14.2791 14.2791 15.4965 15.4965 k = 0.2653-0.1532 0.2166 ( 2045 PWs) bands (ev): -30.6280 -30.6280 -11.7132 -11.7132 -10.3086 -10.3086 -10.2898 -10.2898 1.3120 1.3120 6.0040 6.0040 7.0167 7.0167 7.3599 7.3599 8.0658 8.0658 8.2630 8.2630 9.4856 9.4856 10.3079 10.3079 10.4044 10.4044 12.4496 12.4496 14.0388 14.0388 14.2505 14.2505 15.5562 15.5562 k = 0.2755-0.1591 0.2250 ( 2056 PWs) bands (ev): -30.6279 -30.6279 -11.7138 -11.7138 -10.3100 -10.3100 -10.2903 -10.2903 1.3495 1.3495 5.9802 5.9802 7.0213 7.0213 7.3701 7.3701 8.0635 8.0635 8.2663 8.2663 9.4283 9.4283 10.2760 10.2760 10.3585 10.3585 12.4394 12.4394 14.0781 14.0781 14.2226 14.2226 15.6034 15.6034 k = 0.2857-0.1650 0.2333 ( 2056 PWs) bands (ev): -30.6277 -30.6277 -11.7143 -11.7143 -10.3114 -10.3114 -10.2907 -10.2907 1.3859 1.3859 5.9604 5.9604 7.0255 7.0255 7.3801 7.3801 8.0592 8.0592 8.2707 8.2707 9.3725 9.3725 10.2466 10.2466 10.3149 10.3149 12.4300 12.4300 14.1147 14.1147 14.1974 14.1974 15.6378 15.6378 k = 0.2959-0.1708 0.2416 ( 2060 PWs) bands (ev): -30.6276 -30.6276 -11.7149 -11.7149 -10.3128 -10.3128 -10.2912 -10.2912 1.4211 1.4211 5.9448 5.9448 7.0293 7.0293 7.3898 7.3898 8.0531 8.0531 8.2759 8.2759 9.3182 9.3182 10.2196 10.2196 10.2736 10.2736 12.4213 12.4213 14.1360 14.1360 14.1872 14.1872 15.6596 15.6596 k = 0.3061-0.1767 0.2499 ( 2060 PWs) bands (ev): -30.6275 -30.6275 -11.7154 -11.7154 -10.3142 -10.3142 -10.2916 -10.2916 1.4548 1.4548 5.9336 5.9336 7.0326 7.0326 7.3989 7.3989 8.0455 8.0455 8.2817 8.2817 9.2652 9.2652 10.1949 10.1949 10.2346 10.2346 12.4133 12.4133 14.1225 14.1225 14.2114 14.2114 15.6696 15.6696 k = 0.3163-0.1826 0.2583 ( 2060 PWs) bands (ev): -30.6273 -30.6273 -11.7160 -11.7160 -10.3155 -10.3155 -10.2921 -10.2921 1.4869 1.4869 5.9268 5.9268 7.0354 7.0354 7.4074 7.4074 8.0367 8.0367 8.2876 8.2876 9.2137 9.2137 10.1725 10.1725 10.1980 10.1980 12.4061 12.4061 14.0978 14.0978 14.2463 14.2463 15.6691 15.6691 k = 0.3265-0.1885 0.2666 ( 2064 PWs) bands (ev): -30.6272 -30.6272 -11.7165 -11.7165 -10.3168 -10.3168 -10.2925 -10.2925 1.5173 1.5173 5.9243 5.9243 7.0379 7.0379 7.4152 7.4152 8.0270 8.0270 8.2935 8.2935 9.1638 9.1638 10.1522 10.1522 10.1638 10.1638 12.3994 12.3994 14.0715 14.0715 14.2819 14.2819 15.6597 15.6597 k = 0.3367-0.1944 0.2749 ( 2064 PWs) bands (ev): -30.6271 -30.6271 -11.7170 -11.7170 -10.3180 -10.3180 -10.2929 -10.2929 1.5459 1.5459 5.9262 5.9262 7.0401 7.0401 7.4220 7.4220 8.0166 8.0166 8.2988 8.2988 9.1155 9.1155 10.1305 10.1305 10.1353 10.1353 12.3934 12.3934 14.0454 14.0454 14.3161 14.3161 15.6431 15.6431 k = 0.3469-0.2003 0.2833 ( 2072 PWs) bands (ev): -30.6269 -30.6269 -11.7175 -11.7175 -10.3191 -10.3191 -10.2933 -10.2933 1.5725 1.5725 5.9322 5.9322 7.0419 7.0419 7.4279 7.4279 8.0058 8.0058 8.3034 8.3034 9.0690 9.0690 10.1014 10.1014 10.1186 10.1186 12.3880 12.3880 14.0199 14.0199 14.3482 14.3482 15.6208 15.6208 k = 0.3571-0.2062 0.2916 ( 2068 PWs) bands (ev): -30.6268 -30.6268 -11.7179 -11.7179 -10.3203 -10.3203 -10.2937 -10.2937 1.5971 1.5971 5.9422 5.9422 7.0435 7.0435 7.4326 7.4326 7.9948 7.9948 8.3068 8.3068 9.0248 9.0248 10.0739 10.0739 10.1044 10.1044 12.3830 12.3830 13.9953 13.9953 14.3775 14.3775 15.5945 15.5946 k = 0.3673-0.2121 0.2999 ( 2068 PWs) bands (ev): -30.6267 -30.6267 -11.7184 -11.7184 -10.3213 -10.3213 -10.2940 -10.2940 1.6197 1.6197 5.9558 5.9558 7.0450 7.0450 7.4361 7.4361 7.9838 7.9838 8.3087 8.3087 8.9831 8.9831 10.0485 10.0485 10.0920 10.0920 12.3786 12.3786 13.9717 13.9717 14.4034 14.4034 15.5657 15.5657 k = 0.3776-0.2180 0.3083 ( 2068 PWs) bands (ev): -30.6266 -30.6266 -11.7188 -11.7188 -10.3223 -10.3223 -10.2944 -10.2944 1.6403 1.6403 5.9726 5.9726 7.0463 7.0463 7.4382 7.4382 7.9729 7.9729 8.3090 8.3090 8.9443 8.9443 10.0253 10.0253 10.0812 10.0812 12.3746 12.3746 13.9495 13.9495 14.4255 14.4255 15.5354 15.5354 k = 0.3878-0.2239 0.3166 ( 2072 PWs) bands (ev): -30.6265 -30.6265 -11.7192 -11.7192 -10.3232 -10.3232 -10.2947 -10.2947 1.6589 1.6589 5.9922 5.9922 7.0477 7.0477 7.4389 7.4389 7.9622 7.9622 8.3074 8.3074 8.9088 8.9088 10.0042 10.0042 10.0720 10.0720 12.3710 12.3710 13.9285 13.9285 14.4435 14.4435 15.5047 15.5048 k = 0.3980-0.2298 0.3249 ( 2080 PWs) bands (ev): -30.6264 -30.6264 -11.7195 -11.7195 -10.3240 -10.3240 -10.2950 -10.2950 1.6756 1.6756 6.0141 6.0141 7.0492 7.0492 7.4381 7.4381 7.9520 7.9520 8.3039 8.3039 8.8769 8.8769 9.9851 9.9851 10.0641 10.0641 12.3678 12.3678 13.9091 13.9091 14.4572 14.4572 15.4746 15.4746 k = 0.4082-0.2357 0.3333 ( 2072 PWs) bands (ev): -30.6263 -30.6263 -11.7198 -11.7198 -10.3248 -10.3248 -10.2952 -10.2952 1.6904 1.6904 6.0375 6.0375 7.0508 7.0508 7.4357 7.4357 7.9422 7.9422 8.2985 8.2985 8.8488 8.8488 9.9680 9.9680 10.0575 10.0575 12.3650 12.3650 13.8912 13.8912 14.4670 14.4670 15.4456 15.4456 k = 0.4184-0.2415 0.3416 ( 2072 PWs) bands (ev): -30.6262 -30.6262 -11.7201 -11.7201 -10.3255 -10.3255 -10.2955 -10.2955 1.7033 1.7033 6.0617 6.0617 7.0527 7.0527 7.4319 7.4319 7.9330 7.9330 8.2916 8.2916 8.8246 8.8246 9.9530 9.9530 10.0520 10.0520 12.3625 12.3625 13.8750 13.8750 14.4729 14.4729 15.4183 15.4183 k = 0.4286-0.2474 0.3499 ( 2072 PWs) bands (ev): -30.6261 -30.6261 -11.7204 -11.7204 -10.3261 -10.3261 -10.2957 -10.2957 1.7144 1.7144 6.0860 6.0860 7.0548 7.0548 7.4268 7.4268 7.9246 7.9246 8.2834 8.2834 8.8044 8.8044 9.9398 9.9398 10.0475 10.0475 12.3604 12.3604 13.8606 13.8606 14.4757 14.4757 15.3932 15.3932 k = 0.4388-0.2533 0.3583 ( 2072 PWs) bands (ev): -30.6261 -30.6261 -11.7206 -11.7206 -10.3267 -10.3267 -10.2959 -10.2959 1.7239 1.7239 6.1096 6.1096 7.0571 7.0571 7.4207 7.4207 7.9169 7.9169 8.2746 8.2746 8.7878 8.7878 9.9285 9.9285 10.0438 10.0438 12.3585 12.3585 13.8480 13.8480 14.4760 14.4760 15.3707 15.3707 k = 0.4490-0.2592 0.3666 ( 2072 PWs) bands (ev): -30.6260 -30.6260 -11.7208 -11.7208 -10.3271 -10.3271 -10.2961 -10.2961 1.7318 1.7318 6.1315 6.1315 7.0597 7.0597 7.4140 7.4140 7.9102 7.9102 8.2658 8.2658 8.7747 8.7747 9.9190 9.9190 10.0409 10.0409 12.3570 12.3570 13.8372 13.8372 14.4746 14.4746 15.3511 15.3511 k = 0.4592-0.2651 0.3749 ( 2072 PWs) bands (ev): -30.6260 -30.6260 -11.7210 -11.7210 -10.3275 -10.3275 -10.2962 -10.2962 1.7381 1.7381 6.1509 6.1510 7.0622 7.0622 7.4071 7.4071 7.9046 7.9046 8.2576 8.2576 8.7646 8.7646 9.9113 9.9113 10.0387 10.0387 12.3558 12.3558 13.8283 13.8283 14.4723 14.4723 15.3348 15.3348 k = 0.4694-0.2710 0.3833 ( 2080 PWs) bands (ev): -30.6260 -30.6260 -11.7211 -11.7211 -10.3278 -10.3278 -10.2963 -10.2963 1.7430 1.7430 6.1671 6.1671 7.0646 7.0646 7.4008 7.4008 7.9000 7.9000 8.2505 8.2505 8.7572 8.7572 9.9054 9.9054 10.0371 10.0371 12.3548 12.3548 13.8214 13.8214 14.4697 14.4697 15.3218 15.3218 k = 0.4796-0.2769 0.3916 ( 2072 PWs) bands (ev): -30.6259 -30.6259 -11.7212 -11.7212 -10.3280 -10.3280 -10.2964 -10.2964 1.7464 1.7464 6.1791 6.1791 7.0666 7.0666 7.3956 7.3956 7.8967 7.8967 8.2452 8.2452 8.7521 8.7521 9.9011 9.9011 10.0359 10.0359 12.3541 12.3541 13.8164 13.8164 14.4674 14.4674 15.3125 15.3125 k = 0.4898-0.2828 0.3999 ( 2068 PWs) bands (ev): -30.6259 -30.6259 -11.7213 -11.7213 -10.3281 -10.3281 -10.2964 -10.2964 1.7484 1.7484 6.1866 6.1866 7.0679 7.0679 7.3922 7.3922 7.8947 7.8947 8.2418 8.2418 8.7492 8.7492 9.8986 9.8986 10.0353 10.0353 12.3537 12.3537 13.8134 13.8134 14.4658 14.4658 15.3069 15.3069 k = 0.5000-0.2887 0.4082 ( 2068 PWs) bands (ev): -30.6259 -30.6259 -11.7213 -11.7213 -10.3282 -10.3282 -10.2964 -10.2964 1.7491 1.7491 6.1892 6.1892 7.0684 7.0684 7.3910 7.3910 7.8940 7.8940 8.2407 8.2407 8.7483 8.7483 9.8978 9.8978 10.0351 10.0351 12.3535 12.3535 13.8124 13.8124 14.4653 14.4653 15.3050 15.3050 k = 0.5000-0.2887 0.4082 ( 2068 PWs) bands (ev): -30.6259 -30.6259 -11.7213 -11.7213 -10.3282 -10.3282 -10.2964 -10.2964 1.7491 1.7491 6.1892 6.1892 7.0684 7.0684 7.3910 7.3910 7.8940 7.8940 8.2407 8.2407 8.7483 8.7483 9.8978 9.8978 10.0351 10.0351 12.3535 12.3535 13.8124 13.8124 14.4653 14.4653 15.3050 15.3050 k = 0.5000-0.2771 0.4164 ( 2064 PWs) bands (ev): -30.6259 -30.6259 -11.7216 -11.7210 -10.3285 -10.3277 -10.2966 -10.2963 1.7483 1.7506 6.1860 6.1935 7.0514 7.0845 7.3728 7.4088 7.8599 7.9256 8.2222 8.2612 8.7435 8.7527 9.8870 9.9023 10.0289 10.0401 12.3507 12.3607 13.8159 13.8160 14.4601 14.4831 15.3013 15.3046 k = 0.5000-0.2656 0.4246 ( 2070 PWs) bands (ev): -30.6259 -30.6259 -11.7219 -11.7207 -10.3289 -10.3273 -10.2969 -10.2961 1.7482 1.7527 6.1839 6.1989 7.0334 7.0997 7.3542 7.4257 7.8236 7.9545 8.2059 8.2837 8.7385 8.7567 9.8728 9.8958 10.0265 10.0413 12.3522 12.3720 13.8260 13.8266 14.4677 14.5138 15.2924 15.3003 k = 0.5000-0.2540 0.4327 ( 2070 PWs) bands (ev): -30.6260 -30.6258 -11.7222 -11.7203 -10.3291 -10.3268 -10.2972 -10.2960 1.7488 1.7555 6.1829 6.2054 7.0144 7.1142 7.3357 7.4412 7.7858 7.9807 8.1916 8.3079 8.7334 8.7602 9.8559 9.8749 10.0318 10.0383 12.3581 12.3877 13.8416 13.8435 14.4886 14.5576 15.2769 15.2918 k = 0.5000-0.2425 0.4409 ( 2070 PWs) bands (ev): -30.6260 -30.6258 -11.7225 -11.7200 -10.3294 -10.3262 -10.2976 -10.2960 1.7500 1.7590 6.1830 6.2130 6.9943 7.1280 7.3173 7.4545 7.7475 8.0045 8.1791 8.3334 8.7282 8.7631 9.8360 9.8406 10.0320 10.0444 12.3684 12.4077 13.8615 13.8655 14.5233 14.6147 15.2542 15.2779 k = 0.5000-0.2309 0.4491 ( 2074 PWs) bands (ev): -30.6260 -30.6258 -11.7228 -11.7197 -10.3296 -10.3256 -10.2980 -10.2960 1.7518 1.7630 6.1843 6.2218 6.9730 7.1413 7.2993 7.4644 7.7104 8.0263 8.1682 8.3597 8.7230 8.7652 9.7962 9.8122 10.0241 10.0616 12.3831 12.4320 13.8844 13.8909 14.5724 14.6850 15.2242 15.2576 k = 0.5000-0.2194 0.4572 ( 2070 PWs) bands (ev): -30.6260 -30.6258 -11.7230 -11.7194 -10.3297 -10.3250 -10.2984 -10.2961 1.7542 1.7676 6.1866 6.2316 6.9507 7.1539 7.2818 7.4686 7.6769 8.0465 8.1586 8.3864 8.7178 8.7664 9.7445 9.7832 10.0168 10.0816 12.4023 12.4607 13.9093 13.9184 14.6362 14.7681 15.1873 15.2304 k = 0.5000-0.2078 0.4654 ( 2070 PWs) bands (ev): -30.6260 -30.6258 -11.7233 -11.7191 -10.3298 -10.3244 -10.2988 -10.2962 1.7572 1.7727 6.1901 6.2426 6.9272 7.1661 7.2648 7.4640 7.6507 8.0654 8.1500 8.4131 8.7126 8.7667 9.6875 9.7485 10.0116 10.1031 12.4261 12.4938 13.9354 13.9467 14.7145 14.8622 15.1442 15.1970 k = 0.5000-0.1963 0.4736 ( 2074 PWs) bands (ev): -30.6261 -30.6258 -11.7236 -11.7188 -10.3299 -10.3237 -10.2993 -10.2964 1.7606 1.7782 6.1947 6.2547 6.9027 7.1778 7.2486 7.4475 7.6351 8.0833 8.1423 8.4395 8.7075 8.7659 9.6270 9.7079 10.0096 10.1255 12.4546 12.5313 13.9620 13.9750 14.8059 14.9632 15.0958 15.1595 k = 0.5000-0.1848 0.4817 ( 2078 PWs) bands (ev): -30.6261 -30.6258 -11.7238 -11.7185 -10.3299 -10.3230 -10.2998 -10.2966 1.7645 1.7841 6.2004 6.2679 6.8773 7.1890 7.2332 7.4196 7.6301 8.1005 8.1351 8.4654 8.7025 8.7640 9.5643 9.6621 10.0109 10.1483 12.4878 12.5732 13.9890 14.0030 14.9054 15.0461 15.0486 15.1334 k = 0.5000-0.1732 0.4899 ( 2072 PWs) bands (ev): -30.6261 -30.6257 -11.7240 -11.7182 -10.3299 -10.3222 -10.3003 -10.2969 1.7686 1.7902 6.2073 6.2821 6.8510 7.1999 7.2186 7.3835 7.6326 8.1174 8.1283 8.4907 8.6975 8.7609 9.5005 9.6121 10.0153 10.1709 12.5258 12.6195 14.0162 14.0304 14.9538 15.0374 15.0522 15.1751 k = 0.5000-0.1617 0.4981 ( 2076 PWs) bands (ev): -30.6261 -30.6257 -11.7243 -11.7180 -10.3299 -10.3215 -10.3009 -10.2972 1.7731 1.7966 6.2153 6.2975 6.8240 7.2048 7.2102 7.3427 7.6396 8.1216 8.1340 8.5152 8.6926 8.7568 9.4368 9.5591 10.0223 10.1931 12.5686 12.6702 14.0435 14.0575 14.8998 14.9843 15.1563 15.1972 k = 0.5000-0.1501 0.5062 ( 2076 PWs) bands (ev): -30.6262 -30.6257 -11.7245 -11.7177 -10.3298 -10.3207 -10.3014 -10.2975 1.7778 1.8030 6.2244 6.3138 6.7964 7.1919 7.2200 7.2997 7.6490 8.1149 8.1506 8.5388 8.6879 8.7516 9.3742 9.5042 10.0313 10.2146 12.6161 12.7253 14.0708 14.0843 14.8304 14.9223 15.1902 15.2110 k = 0.5000-0.1386 0.5144 ( 2078 PWs) bands (ev): -30.6262 -30.6257 -11.7247 -11.7175 -10.3297 -10.3199 -10.3019 -10.2979 1.7825 1.8095 6.2346 6.3312 6.7684 7.1798 7.2278 7.2571 7.6597 8.1080 8.1671 8.5617 8.6832 8.7454 9.3134 9.4483 10.0417 10.2352 12.6684 12.7847 14.0981 14.1110 14.7548 14.8546 15.1726 15.1996 k = 0.5000-0.1270 0.5226 ( 2074 PWs) bands (ev): -30.6262 -30.6257 -11.7249 -11.7172 -10.3295 -10.3191 -10.3025 -10.2984 1.7873 1.8160 6.2460 6.3496 6.7400 7.1687 7.2073 7.2423 7.6712 8.1007 8.1836 8.5837 8.6786 8.7385 9.2554 9.3924 10.0530 10.2547 12.7254 12.8483 14.1252 14.1375 14.6747 14.7824 15.1502 15.1768 k = 0.5000-0.1155 0.5307 ( 2074 PWs) bands (ev): -30.6262 -30.6257 -11.7250 -11.7170 -10.3294 -10.3182 -10.3030 -10.2988 1.7920 1.8222 6.2585 6.3688 6.7115 7.1584 7.1645 7.2497 7.6830 8.0930 8.2002 8.6046 8.6742 8.7311 9.2008 9.3371 10.0648 10.2728 12.7870 12.9159 14.1518 14.1640 14.5906 14.7065 15.1248 15.1505 k = 0.5000-0.1039 0.5389 ( 2086 PWs) bands (ev): -30.6263 -30.6257 -11.7252 -11.7168 -10.3292 -10.3174 -10.3035 -10.2993 1.7966 1.8282 6.2722 6.3888 6.6830 7.1216 7.1490 7.2577 7.6949 8.0847 8.2167 8.6240 8.6699 8.7241 9.1502 9.2833 10.0765 10.2896 12.8529 12.9873 14.1772 14.1903 14.5031 14.6280 15.0976 15.1223 k = 0.5000-0.0924 0.5471 ( 2086 PWs) bands (ev): -30.6263 -30.6257 -11.7253 -11.7166 -10.3291 -10.3166 -10.3040 -10.2998 1.8010 1.8339 6.2869 6.4094 6.6546 7.0798 7.1405 7.2653 7.7069 8.0759 8.2331 8.6408 8.6657 8.7188 9.1041 9.2313 10.0879 10.3047 12.9231 13.0624 14.2001 14.2162 14.4129 14.5483 15.0693 15.0934 k = 0.5000-0.0808 0.5552 ( 2082 PWs) bands (ev): -30.6263 -30.6257 -11.7254 -11.7165 -10.3289 -10.3159 -10.3045 -10.3003 1.8050 1.8391 6.3028 6.4304 6.6264 7.0397 7.1329 7.2723 7.7187 8.0666 8.2491 8.6523 8.6618 8.7181 9.0629 9.1818 10.0987 10.3182 12.9972 13.1409 14.2175 14.2411 14.3207 14.4707 15.0408 15.0645 k = 0.5000-0.0693 0.5634 ( 2078 PWs) bands (ev): -30.6263 -30.6256 -11.7255 -11.7163 -10.3287 -10.3151 -10.3049 -10.3009 1.8087 1.8438 6.3198 6.4515 6.5985 7.0018 7.1263 7.2786 7.7301 8.0571 8.2646 8.6559 8.6581 8.7251 9.0270 9.1351 10.1084 10.3301 13.0749 13.2225 14.2205 14.2248 14.2670 14.4040 15.0128 15.0364 k = 0.5000-0.0577 0.5715 ( 2090 PWs) bands (ev): -30.6263 -30.6257 -11.7256 -11.7162 -10.3286 -10.3144 -10.3053 -10.3014 1.8119 1.8479 6.3378 6.4722 6.5711 6.9667 7.1207 7.2841 7.7410 8.0476 8.2791 8.6527 8.6548 8.7390 8.9965 9.0917 10.1171 10.3401 13.1556 13.3068 14.1306 14.1912 14.2886 14.3662 14.9864 15.0101 k = 0.5000-0.0462 0.5797 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7257 -11.7161 -10.3284 -10.3138 -10.3056 -10.3018 1.8147 1.8514 6.3570 6.4918 6.5442 6.9352 7.1161 7.2887 7.7508 8.0385 8.2923 8.6464 8.6518 8.7565 8.9716 9.0521 10.1243 10.3484 13.2387 13.3935 14.0357 14.1263 14.3086 14.3603 14.9624 14.9865 k = 0.5000-0.0346 0.5879 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3283 -10.3133 -10.3058 -10.3023 1.8168 1.8541 6.3771 6.5093 6.5179 6.9083 7.1124 7.2924 7.7593 8.0305 8.3035 8.6395 8.6494 8.7751 8.9523 9.0170 10.1301 10.3548 13.3228 13.4818 13.9421 14.0444 14.3256 14.3676 14.9419 14.9666 k = 0.5000-0.0231 0.5960 ( 2088 PWs) bands (ev): -30.6263 -30.6256 -11.7258 -11.7160 -10.3282 -10.3128 -10.3060 -10.3026 1.8184 1.8561 6.3983 6.4924 6.5235 6.8874 7.1098 7.2951 7.7659 8.0241 8.3121 8.6335 8.6476 8.7926 8.9385 8.9879 10.1343 10.3595 13.4051 13.5707 13.8529 13.9571 14.3386 14.3768 14.9262 14.9514 k = 0.5000-0.0115 0.6042 ( 2100 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3282 -10.3126 -10.3061 -10.3028 1.8194 1.8574 6.4204 6.4677 6.5329 6.8740 7.1083 7.2967 7.7702 8.0199 8.3176 8.6296 8.6465 8.8061 8.9303 8.9675 10.1369 10.3622 13.4776 13.6568 13.7763 13.8712 14.3467 14.3836 14.9162 14.9419 k = 0.5000 0.0000 0.6124 ( 2120 PWs) bands (ev): -30.6264 -30.6257 -11.7258 -11.7159 -10.3281 -10.3125 -10.3062 -10.3029 1.8197 1.8578 6.4411 6.4461 6.5362 6.8693 7.1077 7.2972 7.7716 8.0185 8.3195 8.6282 8.6461 8.8114 8.9276 8.9599 10.1377 10.3632 13.5123 13.7112 13.7401 13.8168 14.3495 14.3860 14.9128 14.9386 k = 0.5000 0.0000 0.6124 ( 2120 PWs) bands (ev): -30.6264 -30.6257 -11.7258 -11.7159 -10.3281 -10.3125 -10.3062 -10.3029 1.8197 1.8578 6.4411 6.4461 6.5362 6.8693 7.1077 7.2972 7.7716 8.0185 8.3195 8.6282 8.6461 8.8114 8.9276 8.9599 10.1377 10.3632 13.5123 13.7112 13.7401 13.8168 14.3495 14.3860 14.9128 14.9386 k = 0.4931 0.0120 0.6124 ( 2100 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3281 -10.3126 -10.3061 -10.3028 1.8195 1.8576 6.4270 6.4598 6.5341 6.8717 7.1073 7.2971 7.7704 8.0148 8.3223 8.6162 8.6599 8.8097 8.9286 8.9652 10.1374 10.3627 13.4936 13.6797 13.7592 13.8484 14.3501 14.3868 14.9155 14.9415 k = 0.4861 0.0241 0.6124 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3282 -10.3128 -10.3059 -10.3026 1.8191 1.8570 6.4109 6.4752 6.5282 6.8782 7.1059 7.2969 7.7671 8.0026 8.3316 8.6010 8.6805 8.8057 8.9299 8.9814 10.1365 10.3614 13.4482 13.6225 13.8051 13.9066 14.3523 14.3902 14.9231 14.9491 k = 0.4792 0.0361 0.6124 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3283 -10.3132 -10.3057 -10.3023 1.8184 1.8561 6.3951 6.4901 6.5194 6.8883 7.1032 7.2967 7.7624 7.9815 8.3472 8.5886 8.7011 8.8012 8.9314 9.0068 10.1350 10.3591 13.3906 13.5605 13.8634 13.9704 14.3570 14.3976 14.9344 14.9603 k = 0.4722 0.0481 0.6124 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7257 -11.7160 -10.3284 -10.3136 -10.3055 -10.3019 1.8175 1.8550 6.3797 6.5036 6.5098 6.9010 7.0989 7.2965 7.7567 7.9528 8.3674 8.5800 8.7198 8.7981 8.9342 9.0388 10.1328 10.3557 13.3280 13.4976 13.9271 14.0358 14.3650 14.4097 14.9483 14.9743 k = 0.4653 0.0601 0.6124 ( 2092 PWs) bands (ev): -30.6263 -30.6257 -11.7256 -11.7160 -10.3285 -10.3140 -10.3052 -10.3014 1.8164 1.8537 6.3648 6.4958 6.5203 6.9156 7.0928 7.2967 7.7505 7.9184 8.3891 8.5758 8.7345 8.7981 8.9390 9.0757 10.1298 10.3512 13.2638 13.4350 13.9930 14.1014 14.3771 14.4272 14.9639 14.9904 k = 0.4583 0.0722 0.6124 ( 2086 PWs) bands (ev): -30.6263 -30.6257 -11.7256 -11.7160 -10.3286 -10.3145 -10.3050 -10.3008 1.8153 1.8523 6.3505 6.4832 6.5351 6.9316 7.0850 7.2973 7.7439 7.8802 8.4095 8.5770 8.7434 8.8027 8.9464 9.1162 10.1263 10.3454 13.1997 13.3735 14.0594 14.1665 14.3938 14.4502 14.9803 15.0080 k = 0.4514 0.0842 0.6124 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7255 -11.7161 -10.3288 -10.3150 -10.3047 -10.3003 1.8141 1.8508 6.3369 6.4704 6.5502 6.9480 7.0759 7.2985 7.7369 7.8399 8.4262 8.5841 8.7468 8.8107 8.9572 9.1593 10.1222 10.3383 13.1372 13.3138 14.1249 14.2304 14.4155 14.4788 14.9968 15.0266 k = 0.4444 0.0962 0.6124 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7254 -11.7161 -10.3289 -10.3154 -10.3044 -10.2997 1.8129 1.8492 6.3242 6.4578 6.5658 6.9636 7.0665 7.3003 7.7287 7.7998 8.4379 8.5969 8.7471 8.8195 8.9717 9.2039 10.1176 10.3299 13.0770 13.2564 14.1884 14.2927 14.4423 14.5126 15.0130 15.0460 k = 0.4375 0.1083 0.6124 ( 2089 PWs) bands (ev): -30.6264 -30.6257 -11.7253 -11.7161 -10.3291 -10.3159 -10.3042 -10.2991 1.8117 1.8477 6.3123 6.4459 6.5819 6.9758 7.0595 7.3026 7.7154 7.7646 8.4450 8.6138 8.7460 8.8269 8.9897 9.2489 10.1128 10.3201 13.0201 13.2021 14.2490 14.3529 14.4739 14.5510 15.0286 15.0656 k = 0.4306 0.1203 0.6124 ( 2091 PWs) bands (ev): -30.6264 -30.6258 -11.7253 -11.7162 -10.3292 -10.3163 -10.3039 -10.2986 1.8106 1.8463 6.3014 6.4348 6.5984 6.9800 7.0595 7.3055 7.6889 7.7432 8.4489 8.6327 8.7445 8.8324 9.0106 9.2934 10.1081 10.3091 12.9672 13.1514 14.3061 14.4108 14.5100 14.5928 15.0434 15.0853 k = 0.4236 0.1323 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6257 -11.7252 -11.7162 -10.3294 -10.3167 -10.3037 -10.2981 1.8095 1.8449 6.2915 6.4247 6.6152 6.9740 7.0691 7.3090 7.6517 7.7336 8.4507 8.6519 8.7430 8.8359 9.0334 9.3362 10.1036 10.2968 12.9189 13.1050 14.3592 14.4656 14.5500 14.6363 15.0574 15.1048 k = 0.4167 0.1443 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7251 -11.7162 -10.3296 -10.3170 -10.3035 -10.2977 1.8086 1.8436 6.2829 6.4157 6.6324 6.9607 7.0853 7.3131 7.6119 7.7285 8.4514 8.6700 8.7416 8.8378 9.0566 9.3763 10.0998 10.2837 12.8759 13.0635 14.4082 14.5163 14.5930 14.6794 15.0704 15.1240 k = 0.4097 0.1564 0.6124 ( 2081 PWs) bands (ev): -30.6264 -30.6258 -11.7251 -11.7163 -10.3297 -10.3173 -10.3033 -10.2973 1.8077 1.8425 6.2754 6.4079 6.6495 6.9441 7.1044 7.3179 7.5725 7.7251 8.4515 8.6863 8.7405 8.8384 9.0791 9.4126 10.0970 10.2701 12.8385 13.0273 14.4529 14.5619 14.6375 14.7198 15.0826 15.1425 k = 0.4028 0.1684 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7250 -11.7163 -10.3298 -10.3175 -10.3031 -10.2970 1.8070 1.8416 6.2692 6.4015 6.6661 6.9265 7.1239 7.3237 7.5349 7.7227 8.4513 8.7001 8.7398 8.8382 9.0995 9.4441 10.0953 10.2565 12.8073 12.9970 14.4926 14.6015 14.6814 14.7553 15.0938 15.1601 k = 0.3958 0.1804 0.6124 ( 2079 PWs) bands (ev): -30.6264 -30.6258 -11.7250 -11.7163 -10.3299 -10.3177 -10.3030 -10.2967 1.8064 1.8408 6.2643 6.3964 6.6815 6.9098 7.1419 7.3307 7.5005 7.7210 8.4511 8.7110 8.7395 8.8374 9.1168 9.4698 10.0949 10.2440 12.7826 12.9729 14.5262 14.6339 14.7222 14.7835 15.1038 15.1763 k = 0.3889 0.1925 0.6124 ( 2079 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3178 -10.3029 -10.2965 1.8060 1.8403 6.2608 6.3928 6.6945 6.8955 7.1568 7.3389 7.4708 7.7199 8.4509 8.7186 8.7398 8.8365 9.1299 9.4888 10.0953 10.2335 12.7648 12.9555 14.5520 14.6583 14.7568 14.8027 15.1122 15.1899 k = 0.3819 0.2045 0.6124 ( 2083 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8058 1.8399 6.2586 6.3906 6.7034 6.8857 7.1667 7.3468 7.4491 7.7193 8.4507 8.7229 8.7405 8.8358 9.1381 9.5004 10.0961 10.2264 12.7540 12.9450 14.5684 14.6733 14.7820 14.8120 15.1178 15.1994 k = 0.3750 0.2165 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.3750 0.2165 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.3678 0.2123 0.6006 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7161 -10.3300 -10.3177 -10.3027 -10.2962 1.8092 1.8446 6.2619 6.4003 6.6869 6.8495 7.1416 7.3540 7.4128 7.7134 8.4569 8.7332 8.7600 8.8317 9.1409 9.4755 10.1164 10.2468 12.7986 12.9971 14.5297 14.6459 14.8712 14.8845 15.1143 15.2006 k = 0.3606 0.2082 0.5888 ( 2083 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7159 -10.3299 -10.3176 -10.3024 -10.2960 1.8120 1.8484 6.2633 6.4076 6.6696 6.8179 7.1152 7.3591 7.3833 7.7104 8.4630 8.7296 8.7911 8.8191 9.1534 9.4495 10.1378 10.2706 12.8497 13.0548 14.4859 14.6081 14.9320 14.9333 15.1408 15.2181 k = 0.3534 0.2040 0.5770 ( 2083 PWs) bands (ev): -30.6265 -30.6259 -11.7248 -11.7157 -10.3298 -10.3176 -10.3020 -10.2958 1.8139 1.8511 6.2617 6.4106 6.6558 6.7886 7.0919 7.3531 7.3653 7.7091 8.4694 8.7254 8.8005 8.8220 9.1752 9.4268 10.1606 10.2954 12.9037 13.1144 14.4447 14.5714 14.9375 14.9642 15.2118 15.2668 k = 0.3462 0.1999 0.5653 ( 2075 PWs) bands (ev): -30.6265 -30.6259 -11.7248 -11.7155 -10.3297 -10.3177 -10.3014 -10.2955 1.8146 1.8525 6.2564 6.4084 6.6461 6.7626 7.0725 7.3230 7.3724 7.7094 8.4763 8.7212 8.7786 8.8519 9.2030 9.4075 10.1846 10.3211 12.9604 13.1756 14.4070 14.5378 14.9181 14.9653 15.3043 15.3338 k = 0.3389 0.1957 0.5535 ( 2079 PWs) bands (ev): -30.6266 -30.6259 -11.7246 -11.7153 -10.3296 -10.3178 -10.3007 -10.2952 1.8140 1.8524 6.2474 6.4003 6.6409 6.7404 7.0575 7.2936 7.3803 7.7107 8.4839 8.7169 8.7554 8.8805 9.2343 9.3917 10.2100 10.3478 13.0196 13.2378 14.3737 14.5082 14.8879 14.9484 15.3140 15.3525 k = 0.3317 0.1915 0.5417 ( 2079 PWs) bands (ev): -30.6266 -30.6260 -11.7245 -11.7152 -10.3295 -10.3180 -10.3000 -10.2948 1.8120 1.8507 6.2350 6.3863 6.6403 6.7221 7.0474 7.2653 7.3890 7.7128 8.4919 8.7127 8.7325 8.9075 9.2674 9.3797 10.2365 10.3755 13.0808 13.3006 14.3457 14.4837 14.8522 14.9216 15.2971 15.3383 k = 0.3245 0.1874 0.5299 ( 2073 PWs) bands (ev): -30.6266 -30.6260 -11.7243 -11.7150 -10.3293 -10.3182 -10.2992 -10.2944 1.8083 1.8472 6.2198 6.3674 6.6439 6.7069 7.0424 7.2386 7.3985 7.7158 8.5001 8.7084 8.7110 8.9325 9.3013 9.3716 10.2642 10.4041 13.1433 13.3630 14.3239 14.4653 14.8131 14.8888 15.2806 15.3202 k = 0.3173 0.1832 0.5182 ( 2073 PWs) bands (ev): -30.6267 -30.6261 -11.7241 -11.7148 -10.3291 -10.3184 -10.2983 -10.2939 1.8029 1.8417 6.2028 6.3448 6.6509 6.6938 7.0426 7.2138 7.4089 7.7194 8.5076 8.6921 8.7041 8.9555 9.3353 9.3677 10.2931 10.4337 13.2063 13.4240 14.3093 14.4541 14.7716 14.8517 15.2650 15.3016 k = 0.3101 0.1790 0.5064 ( 2077 PWs) bands (ev): -30.6268 -30.6262 -11.7238 -11.7146 -10.3288 -10.3186 -10.2975 -10.2935 1.7955 1.8341 6.1849 6.3203 6.6607 6.6818 7.0476 7.1911 7.4204 7.7236 8.5130 8.6776 8.6998 8.9761 9.3679 9.3690 10.3230 10.4642 13.2686 13.4821 14.3033 14.4510 14.7286 14.8112 15.2504 15.2829 k = 0.3029 0.1749 0.4946 ( 2073 PWs) bands (ev): -30.6268 -30.6262 -11.7235 -11.7144 -10.3285 -10.3187 -10.2966 -10.2929 1.7860 1.8241 6.1673 6.2951 6.6701 6.6723 7.0569 7.1708 7.4331 7.7284 8.5142 8.6695 8.6954 8.9944 9.3726 9.4023 10.3540 10.4956 13.3289 13.5359 14.3073 14.4565 14.6855 14.7680 15.2368 15.2644 k = 0.2957 0.1707 0.4828 ( 2059 PWs) bands (ev): -30.6269 -30.6263 -11.7232 -11.7143 -10.3281 -10.3188 -10.2957 -10.2924 1.7743 1.8118 6.1508 6.2706 6.6585 6.6851 7.0696 7.1529 7.4472 7.7339 8.5096 8.6696 8.6909 9.0105 9.3815 9.4349 10.3860 10.5280 13.3855 13.5837 14.3227 14.4689 14.6455 14.7223 15.2240 15.2458 k = 0.2885 0.1665 0.4711 ( 2059 PWs) bands (ev): -30.6269 -30.6264 -11.7228 -11.7141 -10.3277 -10.3188 -10.2948 -10.2919 1.7603 1.7969 6.1361 6.2477 6.6468 6.6984 7.0848 7.1378 7.4630 7.7401 8.4988 8.6782 8.6863 9.0245 9.3946 9.4668 10.4190 10.5612 13.4368 13.6244 14.3510 14.4795 14.6184 14.6745 15.2119 15.2272 k = 0.2812 0.1624 0.4593 ( 2059 PWs) bands (ev): -30.6270 -30.6264 -11.7224 -11.7139 -10.3272 -10.3188 -10.2939 -10.2913 1.7439 1.7795 6.1239 6.2272 6.6353 6.7116 7.1016 7.1254 7.4805 7.7470 8.4832 8.6815 8.6939 9.0369 9.4116 9.4982 10.4529 10.5953 13.4814 13.6573 14.3932 14.4681 14.6244 14.6250 15.2003 15.2083 k = 0.2740 0.1582 0.4475 ( 2059 PWs) bands (ev): -30.6271 -30.6265 -11.7220 -11.7137 -10.3267 -10.3186 -10.2930 -10.2907 1.7251 1.7595 6.1147 6.2096 6.6240 6.7242 7.1159 7.1190 7.5002 7.7546 8.4644 8.6765 8.7152 9.0480 9.4324 9.5290 10.4877 10.6303 13.5187 13.6825 14.4315 14.4491 14.5746 14.6657 15.1885 15.1888 k = 0.2668 0.1541 0.4357 ( 2065 PWs) bands (ev): -30.6272 -30.6267 -11.7215 -11.7135 -10.3260 -10.3184 -10.2921 -10.2902 1.7038 1.7369 6.1088 6.1952 6.6132 6.7358 7.1092 7.1362 7.5220 7.7630 8.4435 8.6712 8.7408 9.0585 9.4567 9.5596 10.5235 10.6661 13.5484 13.7006 14.3833 14.5044 14.5372 14.7262 15.1685 15.1742 k = 0.2596 0.1499 0.4240 ( 2069 PWs) bands (ev): -30.6273 -30.6268 -11.7210 -11.7133 -10.3253 -10.3182 -10.2913 -10.2896 1.6801 1.7118 6.1066 6.1845 6.6031 6.7462 7.1051 7.1527 7.5462 7.7722 8.4215 8.6656 8.7701 9.0688 9.4842 9.5901 10.5601 10.7027 13.5710 13.7128 14.3301 14.4638 14.6069 14.7943 15.1468 15.1480 k = 0.2524 0.1457 0.4122 ( 2069 PWs) bands (ev): -30.6274 -30.6269 -11.7205 -11.7131 -10.3245 -10.3178 -10.2905 -10.2890 1.6540 1.6842 6.1082 6.1774 6.5939 6.7554 7.1035 7.1679 7.5728 7.7822 8.3987 8.6597 8.8025 9.0793 9.5148 9.6208 10.5975 10.7400 13.5874 13.7199 14.2742 14.4100 14.6987 14.8595 15.0935 15.1225 k = 0.2452 0.1416 0.4004 ( 2081 PWs) bands (ev): -30.6275 -30.6270 -11.7200 -11.7128 -10.3236 -10.3173 -10.2897 -10.2885 1.6257 1.6542 6.1138 6.1742 6.5857 6.7634 7.1040 7.1816 7.6015 7.7929 8.3756 8.6533 8.8379 9.0906 9.5485 9.6519 10.6357 10.7781 13.5983 13.7230 14.2169 14.3552 14.7958 14.9058 15.0196 15.0915 k = 0.2380 0.1374 0.3886 ( 2081 PWs) bands (ev): -30.6276 -30.6272 -11.7194 -11.7126 -10.3226 -10.3167 -10.2890 -10.2879 1.5951 1.6219 6.1232 6.1748 6.5785 6.7703 7.1061 7.1936 7.6323 7.8044 8.3522 8.6464 8.8760 9.1030 9.5852 9.6837 10.6746 10.8168 13.6044 13.7226 14.1586 14.3001 14.8825 14.8913 14.9745 15.0465 k = 0.2308 0.1332 0.3768 ( 2077 PWs) bands (ev): -30.6277 -30.6273 -11.7188 -11.7123 -10.3216 -10.3161 -10.2883 -10.2874 1.5625 1.5876 6.1365 6.1790 6.5726 6.7765 7.1093 7.2038 7.6647 7.8165 8.3290 8.6390 8.9169 9.1171 9.6250 9.7166 10.7142 10.8562 13.6059 13.7190 14.0998 14.2453 14.8105 14.9011 14.9715 15.0160 k = 0.2236 0.1291 0.3651 ( 2075 PWs) bands (ev): -30.6278 -30.6274 -11.7182 -11.7121 -10.3204 -10.3153 -10.2876 -10.2869 1.5280 1.5513 6.1535 6.1868 6.5679 6.7822 7.1132 7.2124 7.6984 7.8291 8.3059 8.6310 8.9605 9.1331 9.6678 9.7508 10.7545 10.8960 13.6030 13.7123 14.0409 14.1913 14.7191 14.8372 14.9642 15.0049 k = 0.2163 0.1249 0.3533 ( 2071 PWs) bands (ev): -30.6279 -30.6275 -11.7175 -11.7118 -10.3192 -10.3145 -10.2870 -10.2864 1.4918 1.5133 6.1741 6.1980 6.5646 6.7878 7.1174 7.2194 7.7328 7.8421 8.2832 8.6224 9.0068 9.1514 9.7138 9.7866 10.7954 10.9364 13.5954 13.7022 13.9823 14.1385 14.6275 14.7556 14.9493 14.9834 k = 0.2091 0.1207 0.3415 ( 2071 PWs) bands (ev): -30.6280 -30.6277 -11.7169 -11.7115 -10.3179 -10.3136 -10.2864 -10.2860 1.4541 1.4738 6.1980 6.2124 6.5626 6.7934 7.1214 7.2250 7.7676 7.8552 8.2609 8.6131 9.0560 9.1726 9.7631 9.8244 10.8369 10.9772 13.5826 13.6880 13.9243 14.0874 14.5382 14.6727 14.9290 14.9562 k = 0.2019 0.1166 0.3297 ( 2073 PWs) bands (ev): -30.6281 -30.6278 -11.7162 -11.7112 -10.3166 -10.3126 -10.2859 -10.2856 1.4151 1.4331 6.2249 6.2295 6.5620 6.7994 7.1250 7.2293 7.8023 7.8682 8.2394 8.6031 9.1080 9.1971 9.8157 9.8644 10.8788 11.0183 13.5642 13.6689 13.8672 14.0384 14.4531 14.5927 14.9046 14.9261 k = 0.1947 0.1124 0.3180 ( 2073 PWs) bands (ev): -30.6283 -30.6280 -11.7155 -11.7109 -10.3152 -10.3115 -10.2854 -10.2852 1.3750 1.3913 6.2493 6.2546 6.5629 6.8060 7.1280 7.2326 7.8364 7.8808 8.2186 8.5923 9.1630 9.2251 9.8716 9.9069 10.9211 11.0597 13.5396 13.6439 13.8115 13.9915 14.3736 14.5173 14.8770 14.8941 k = 0.1875 0.1083 0.3062 ( 2071 PWs) bands (ev): -30.6284 -30.6281 -11.7148 -11.7106 -10.3137 -10.3103 -10.2849 -10.2848 1.3341 1.3488 6.2712 6.2866 6.5652 6.8132 7.1303 7.2350 7.8696 7.8928 8.1988 8.5808 9.2210 9.2572 9.9310 9.9520 10.9636 11.1013 13.5088 13.6119 13.7571 13.9463 14.3012 14.4478 14.8470 14.8609 k = 0.1803 0.1041 0.2944 ( 2069 PWs) bands (ev): -30.6285 -30.6282 -11.7141 -11.7102 -10.3121 -10.3091 -10.2845 -10.2844 1.2925 1.3057 6.2951 6.3206 6.5688 6.8212 7.1319 7.2368 7.9013 7.9039 8.1801 8.5684 9.2821 9.2937 9.9938 10.0001 11.0064 11.1429 13.4718 13.5725 13.7040 13.9023 14.2371 14.3852 14.8150 14.8269 k = 0.1731 0.0999 0.2826 ( 2065 PWs) bands (ev): -30.6286 -30.6284 -11.7134 -11.7099 -10.3105 -10.3078 -10.2841 -10.2841 1.2506 1.2624 6.3204 6.3562 6.5739 6.8300 7.1327 7.2380 7.9137 7.9313 8.1627 8.5552 9.3350 9.3465 10.0512 10.0600 11.0493 11.1844 13.4293 13.5260 13.6516 13.8587 14.1818 14.3300 14.7814 14.7924 k = 0.1659 0.0958 0.2709 ( 2057 PWs) bands (ev): -30.6287 -30.6285 -11.7127 -11.7095 -10.3089 -10.3065 -10.2838 -10.2838 1.2085 1.2189 6.3470 6.3929 6.5804 6.8396 7.1329 7.2388 7.9221 7.9594 8.1468 8.5412 9.3814 9.4142 10.1055 10.1296 11.0921 11.2258 13.3820 13.4731 13.5998 13.8149 14.1351 14.2822 14.7465 14.7578 k = 0.1587 0.0916 0.2591 ( 2063 PWs) bands (ev): -30.6288 -30.6287 -11.7120 -11.7091 -10.3073 -10.3051 -10.2835 -10.2835 1.1665 1.1756 6.3743 6.4303 6.5881 6.8501 7.1327 7.2394 7.9289 7.9851 8.1325 8.5263 9.4332 9.4852 10.1628 10.2024 11.1347 11.2668 13.3308 13.4146 13.5491 13.7706 14.0961 14.2413 14.7106 14.7235 k = 0.1514 0.0874 0.2473 ( 2063 PWs) bands (ev): -30.6290 -30.6288 -11.7113 -11.7088 -10.3056 -10.3036 -10.2833 -10.2832 1.1248 1.1328 6.4021 6.4679 6.5972 6.8612 7.1323 7.2399 7.9338 8.0085 8.1198 8.5105 9.4906 9.5598 10.2233 10.2783 11.1769 11.3075 13.2768 13.3514 13.5004 13.7261 14.0631 14.2061 14.6738 14.6897 k = 0.1442 0.0833 0.2355 ( 2059 PWs) bands (ev): -30.6291 -30.6289 -11.7106 -11.7084 -10.3039 -10.3022 -10.2831 -10.2829 1.0836 1.0905 6.4301 6.5053 6.6075 6.8727 7.1320 7.2405 7.9370 8.0293 8.1089 8.4939 9.5537 9.6378 10.2869 10.3570 11.2187 11.3476 13.2207 13.2845 13.4545 13.6821 14.0345 14.1751 14.6363 14.6568 k = 0.1370 0.0791 0.2238 ( 2059 PWs) bands (ev): -30.6292 -30.6291 -11.7100 -11.7080 -10.3022 -10.3007 -10.2829 -10.2827 1.0431 1.0490 6.4579 6.5419 6.6189 6.8845 7.1322 7.2413 7.9385 8.0476 8.0995 8.4765 9.6225 9.7194 10.3533 10.4385 11.2599 11.3870 13.1633 13.2152 13.4122 13.6393 14.0085 14.1467 14.5981 14.6250 k = 0.1298 0.0749 0.2120 ( 2067 PWs) bands (ev): -30.6293 -30.6292 -11.7093 -11.7076 -10.3005 -10.2992 -10.2827 -10.2826 1.0035 1.0086 6.4854 6.5774 6.6314 6.8961 7.1334 7.2424 7.9386 8.0634 8.0917 8.4583 9.6971 9.8045 10.4225 10.5223 11.3002 11.4255 13.1053 13.1446 13.3738 13.5986 13.9839 14.1191 14.5588 14.5943 k = 0.1226 0.0708 0.2002 ( 2067 PWs) bands (ev): -30.6295 -30.6294 -11.7087 -11.7072 -10.2988 -10.2977 -10.2826 -10.2824 0.9650 0.9693 6.5121 6.6113 6.6448 6.9070 7.1361 7.2441 7.9377 8.0767 8.0849 8.4392 9.7773 9.8930 10.4941 10.6082 11.3396 11.4632 13.0475 13.0738 13.3397 13.5606 13.9593 14.0912 14.5181 14.5645 k = 0.1154 0.0666 0.1884 ( 2059 PWs) bands (ev): -30.6295 -30.6295 -11.7081 -11.7068 -10.2972 -10.2962 -10.2825 -10.2823 0.9278 0.9314 6.5381 6.6433 6.6590 6.9166 7.1409 7.2463 7.9362 8.0791 8.0876 8.4195 9.8630 9.9850 10.5679 10.6956 11.3780 11.4998 12.9901 13.0038 13.3100 13.5259 13.9338 14.0616 14.4753 14.5352 k = 0.1082 0.0625 0.1766 ( 2059 PWs) bands (ev): -30.6297 -30.6296 -11.7075 -11.7065 -10.2956 -10.2948 -10.2824 -10.2822 0.8921 0.8950 6.5631 6.6731 6.6738 6.9243 7.1483 7.2491 7.9346 8.0740 8.0962 8.3990 9.9539 10.0801 10.6435 10.7842 11.4153 11.5353 12.9339 12.9354 13.2850 13.4949 13.9068 14.0298 14.4293 14.5052 k = 0.1010 0.0583 0.1649 ( 2053 PWs) bands (ev): -30.6297 -30.6297 -11.7070 -11.7061 -10.2940 -10.2933 -10.2823 -10.2821 0.8579 0.8603 6.5872 6.6888 6.7004 6.9297 7.1585 7.2528 7.9333 8.0693 8.1027 8.3778 10.0496 10.1781 10.7207 10.8733 11.4516 11.5697 12.8690 12.8790 13.2648 13.4677 13.8777 13.9950 14.3787 14.4726 k = 0.0938 0.0541 0.1531 ( 2065 PWs) bands (ev): -30.6299 -30.6298 -11.7064 -11.7057 -10.2925 -10.2920 -10.2822 -10.2820 0.8255 0.8274 6.6102 6.7040 6.7252 6.9326 7.1716 7.2571 7.9326 8.0648 8.1072 8.3561 10.1497 10.2786 10.7991 10.9621 11.4870 11.6029 12.8052 12.8257 13.2496 13.4445 13.8462 13.9571 14.3216 14.4343 k = 0.0865 0.0500 0.1413 ( 2063 PWs) bands (ev): -30.6300 -30.6299 -11.7060 -11.7054 -10.2911 -10.2906 -10.2821 -10.2820 0.7949 0.7964 6.6324 6.7191 6.7475 6.9330 7.1870 7.2623 7.9330 8.0607 8.1098 8.3337 10.2536 10.3810 10.8783 11.0499 11.5218 11.6351 12.7443 12.7744 13.2393 13.4252 13.8121 13.9160 14.2561 14.3862 k = 0.0793 0.0458 0.1295 ( 2065 PWs) bands (ev): -30.6301 -30.6300 -11.7055 -11.7051 -10.2897 -10.2894 -10.2821 -10.2819 0.7664 0.7675 6.6536 6.7337 6.7671 6.9311 7.2041 7.2683 7.9345 8.0568 8.1107 8.3110 10.3606 10.4843 10.9584 11.1356 11.5564 11.6662 12.6866 12.7249 13.2341 13.4096 13.7755 13.8720 14.1803 14.3233 k = 0.0721 0.0416 0.1178 ( 2071 PWs) bands (ev): -30.6302 -30.6302 -11.7051 -11.7048 -10.2884 -10.2882 -10.2820 -10.2819 0.7399 0.7408 6.6739 6.7477 6.7842 6.9274 7.2223 7.2749 7.9376 8.0532 8.1101 8.2878 10.4697 10.5874 11.0394 11.2180 11.5916 11.6964 12.6321 12.6771 13.2337 13.3972 13.7367 13.8252 14.0936 14.2420 k = 0.0649 0.0375 0.1060 ( 2071 PWs) bands (ev): -30.6303 -30.6302 -11.7047 -11.7045 -10.2872 -10.2870 -10.2820 -10.2819 0.7157 0.7163 6.6935 6.7610 6.7988 6.9222 7.2406 7.2820 7.9422 8.0500 8.1082 8.2643 10.5797 10.6886 11.1217 11.2962 11.6281 11.7257 12.5809 12.6306 13.2378 13.3875 13.6959 13.7764 13.9968 14.1429 k = 0.0577 0.0333 0.0942 ( 2071 PWs) bands (ev): -30.6303 -30.6303 -11.7044 -11.7042 -10.2862 -10.2860 -10.2820 -10.2819 0.6937 0.6941 6.7123 6.7735 6.8110 6.9157 7.2585 7.2896 7.9485 8.0475 8.1051 8.2406 10.6888 10.7856 11.2061 11.3693 11.6666 11.7541 12.5327 12.5847 13.2462 13.3796 13.6536 13.7261 13.8923 14.0311 k = 0.0505 0.0291 0.0824 ( 2071 PWs) bands (ev): -30.6304 -30.6304 -11.7041 -11.7039 -10.2852 -10.2851 -10.2820 -10.2819 0.6742 0.6744 6.7304 6.7849 6.8209 6.9082 7.2752 7.2973 7.9566 8.0456 8.1009 8.2168 10.7945 10.8758 11.2939 11.4377 11.7070 11.7815 12.4867 12.5384 13.2582 13.3725 13.6105 13.6753 13.7842 13.9141 k = 0.0433 0.0250 0.0707 ( 2079 PWs) bands (ev): -30.6305 -30.6305 -11.7038 -11.7037 -10.2843 -10.2843 -10.2820 -10.2819 0.6570 0.6572 6.7478 6.7954 6.8287 6.8999 7.2904 7.3050 7.9664 8.0447 8.0959 8.1931 10.8938 10.9564 11.3861 11.5032 11.7484 11.8076 12.4421 12.4901 13.2731 13.3651 13.5672 13.6253 13.6780 13.7991 k = 0.0361 0.0208 0.0589 ( 2085 PWs) bands (ev): -30.6305 -30.6305 -11.7036 -11.7035 -10.2836 -10.2836 -10.2819 -10.2819 0.6425 0.6426 6.7644 6.8049 6.8343 6.8909 7.3035 7.3124 7.9780 8.0446 8.0903 8.1696 10.9827 11.0255 11.4831 11.5690 11.7886 11.8320 12.3970 12.4380 13.2898 13.3559 13.5237 13.5778 13.5807 13.6926 k = 0.0288 0.0167 0.0471 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7034 -11.7034 -10.2830 -10.2830 -10.2819 -10.2819 0.6305 0.6305 6.7803 6.8134 6.8381 6.8812 7.3144 7.3191 7.9914 8.0457 8.0842 8.1464 11.0571 11.0819 11.5838 11.6388 11.8250 11.8538 12.3493 12.3805 13.3066 13.3440 13.4739 13.5066 13.5345 13.6000 k = 0.0216 0.0125 0.0353 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7033 -11.7032 -10.2825 -10.2825 -10.2819 -10.2819 0.6211 0.6211 6.7954 6.8208 6.8400 6.8709 7.3228 7.3249 8.0063 8.0478 8.0779 8.1237 11.1142 11.1254 11.6854 11.7142 11.8552 11.8722 12.2970 12.3167 13.3187 13.3292 13.4194 13.4649 13.4967 13.5256 k = 0.0144 0.0083 0.0236 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7032 -11.7032 -10.2822 -10.2822 -10.2819 -10.2819 0.6144 0.6144 6.8097 6.8271 6.8402 6.8600 7.3287 7.3294 8.0229 8.0509 8.0716 8.1016 11.1531 11.1566 11.7821 11.7928 11.8776 11.8863 12.2399 12.2489 13.3131 13.3151 13.3947 13.4376 13.4632 13.4732 k = 0.0072 0.0042 0.0118 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7031 -11.7031 -10.2820 -10.2820 -10.2819 -10.2819 0.6103 0.6103 6.8234 6.8323 6.8390 6.8485 7.3322 7.3323 8.0408 8.0550 8.0656 8.0803 11.1751 11.1755 11.8621 11.8634 11.8914 11.8949 12.1848 12.1866 13.2998 13.3005 13.4016 13.4219 13.4337 13.4426 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -30.6307 -30.6307 -11.7031 -11.7031 -10.2819 -10.2819 -10.2819 -10.2819 0.6090 0.6090 6.8363 6.8363 6.8363 6.8363 7.3333 7.3333 8.0600 8.0600 8.0600 8.0600 11.1820 11.1820 11.8969 11.8969 11.8969 11.8969 12.1573 12.1573 13.2942 13.2942 13.4197 13.4197 13.4197 13.4197 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -30.6307 -30.6307 -11.7031 -11.7031 -10.2819 -10.2819 -10.2819 -10.2819 0.6090 0.6090 6.8363 6.8363 6.8363 6.8363 7.3333 7.3333 8.0600 8.0600 8.0600 8.0600 11.1820 11.1820 11.8969 11.8969 11.8969 11.8969 12.1573 12.1573 13.2942 13.2942 13.4197 13.4197 13.4197 13.4197 k = 0.0119 0.0069 0.0049 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7031 -11.7031 -10.2820 -10.2820 -10.2819 -10.2819 0.6103 0.6103 6.8228 6.8356 6.8356 6.8490 7.3322 7.3322 8.0399 8.0603 8.0603 8.0812 11.1751 11.1751 11.8612 11.8612 11.8924 11.8959 12.1861 12.1861 13.3003 13.3003 13.3998 13.4287 13.4287 13.4429 k = 0.0238 0.0137 0.0097 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7032 -11.7032 -10.2822 -10.2822 -10.2819 -10.2819 0.6145 0.6145 6.8088 6.8335 6.8335 6.8610 7.3289 7.3289 8.0211 8.0612 8.0612 8.1036 11.1539 11.1539 11.7832 11.7832 11.8821 11.8895 12.2442 12.2442 13.3158 13.3158 13.3837 13.4579 13.4579 13.4689 k = 0.0357 0.0206 0.0146 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7033 -11.7033 -10.2826 -10.2826 -10.2819 -10.2818 0.6214 0.6214 6.7945 6.8301 6.8301 6.8721 7.3235 7.3235 8.0038 8.0627 8.0627 8.1267 11.1168 11.1168 11.6942 11.6942 11.8660 11.8780 12.3036 12.3036 13.3357 13.3357 13.3719 13.4969 13.5108 13.5108 k = 0.0476 0.0275 0.0194 ( 2085 PWs) bands (ev): -30.6306 -30.6306 -11.7034 -11.7034 -10.2831 -10.2831 -10.2819 -10.2818 0.6310 0.6310 6.7798 6.8254 6.8254 6.8822 7.3161 7.3161 7.9881 8.0647 8.0647 8.1506 11.0617 11.0617 11.6078 11.6078 11.8443 11.8621 12.3554 12.3554 13.3567 13.3567 13.3648 13.5262 13.5882 13.5882 k = 0.0595 0.0344 0.0243 ( 2079 PWs) bands (ev): -30.6305 -30.6305 -11.7036 -11.7036 -10.2837 -10.2837 -10.2818 -10.2818 0.6433 0.6433 6.7649 6.8193 6.8193 6.8911 7.3066 7.3066 7.9741 8.0671 8.0671 8.1751 10.9875 10.9875 11.5306 11.5306 11.8172 11.8419 12.3977 12.3977 13.3623 13.3784 13.3784 13.5563 13.6867 13.6867 k = 0.0714 0.0412 0.0292 ( 2073 PWs) bands (ev): -30.6304 -30.6304 -11.7038 -11.7038 -10.2845 -10.2845 -10.2818 -10.2817 0.6582 0.6582 6.7501 6.8118 6.8118 6.8988 7.2954 7.2954 7.9619 8.0698 8.0698 8.2000 10.8956 10.8956 11.4644 11.4644 11.7852 11.8181 12.4313 12.4313 13.3645 13.4013 13.4013 13.5869 13.8020 13.8020 k = 0.0833 0.0481 0.0340 ( 2079 PWs) bands (ev): -30.6304 -30.6304 -11.7040 -11.7040 -10.2854 -10.2854 -10.2818 -10.2817 0.6758 0.6758 6.7352 6.8031 6.8031 6.9051 7.2824 7.2824 7.9515 8.0725 8.0725 8.2251 10.7894 10.7894 11.4081 11.4081 11.7489 11.7911 12.4580 12.4580 13.3713 13.4258 13.4258 13.6174 13.9298 13.9298 k = 0.0952 0.0550 0.0389 ( 2073 PWs) bands (ev): -30.6303 -30.6303 -11.7043 -11.7043 -10.2864 -10.2864 -10.2817 -10.2816 0.6959 0.6959 6.7206 6.7930 6.7930 6.9102 7.2679 7.2679 7.9430 8.0752 8.0752 8.2502 10.6733 10.6733 11.3592 11.3592 11.7086 11.7614 12.4794 12.4794 13.3824 13.4519 13.4519 13.6479 14.0667 14.0667 k = 0.1071 0.0619 0.0437 ( 2073 PWs) bands (ev): -30.6302 -30.6302 -11.7046 -11.7046 -10.2876 -10.2876 -10.2817 -10.2815 0.7184 0.7184 6.7062 6.7815 6.7815 6.9138 7.2520 7.2520 7.9364 8.0776 8.0776 8.2753 10.5512 10.5512 11.3151 11.3151 11.6652 11.7293 12.4969 12.4969 13.3977 13.4796 13.4796 13.6782 14.2098 14.2098 k = 0.1190 0.0687 0.0486 ( 2067 PWs) bands (ev): -30.6301 -30.6301 -11.7050 -11.7050 -10.2888 -10.2888 -10.2816 -10.2814 0.7434 0.7434 6.6921 6.7687 6.7687 6.9160 7.2351 7.2351 7.9318 8.0795 8.0795 8.3002 10.4261 10.4261 11.2743 11.2743 11.6191 11.6952 12.5118 12.5118 13.4169 13.5087 13.5087 13.7084 14.3566 14.3566 k = 0.1310 0.0756 0.0535 ( 2067 PWs) bands (ev): -30.6301 -30.6301 -11.7053 -11.7053 -10.2902 -10.2902 -10.2815 -10.2814 0.7706 0.7706 6.6785 6.7544 6.7544 6.9168 7.2173 7.2173 7.9290 8.0808 8.0808 8.3246 10.3002 10.3002 11.2355 11.2355 11.5709 11.6595 12.5249 12.5249 13.4396 13.5391 13.5391 13.7388 14.5052 14.5052 k = 0.1429 0.0825 0.0583 ( 2055 PWs) bands (ev): -30.6299 -30.6299 -11.7057 -11.7057 -10.2917 -10.2917 -10.2815 -10.2813 0.8001 0.8001 6.6654 6.7386 6.7386 6.9163 7.1989 7.1989 7.9281 8.0810 8.0810 8.3484 10.1752 10.1752 11.1984 11.1984 11.5213 11.6225 12.5368 12.5368 13.4657 13.5708 13.5708 13.7694 14.6537 14.6537 k = 0.1548 0.0894 0.0632 ( 2061 PWs) bands (ev): -30.6298 -30.6298 -11.7061 -11.7061 -10.2932 -10.2932 -10.2814 -10.2812 0.8317 0.8317 6.6528 6.7211 6.7211 6.9144 7.1802 7.1802 7.9289 8.0801 8.0801 8.3715 10.0523 10.0523 11.1624 11.1624 11.4707 11.5845 12.5480 12.5480 13.4950 13.6037 13.6037 13.8006 14.8002 14.8002 k = 0.1667 0.0962 0.0680 ( 2070 PWs) bands (ev): -30.6298 -30.6298 -11.7066 -11.7066 -10.2948 -10.2948 -10.2813 -10.2811 0.8653 0.8653 6.6409 6.7019 6.7019 6.9114 7.1615 7.1615 7.9314 8.0777 8.0777 8.3938 9.9324 9.9324 11.1276 11.1277 11.4196 11.5458 12.5588 12.5588 13.5271 13.6376 13.6376 13.8325 14.9429 14.9429 k = 0.1786 0.1031 0.0729 ( 2061 PWs) bands (ev): -30.6296 -30.6296 -11.7070 -11.7070 -10.2965 -10.2965 -10.2812 -10.2810 0.9007 0.9007 6.6297 6.6808 6.6808 6.9072 7.1431 7.1431 7.9354 8.0736 8.0736 8.4150 9.8163 9.8163 11.0940 11.0940 11.3685 11.5067 12.5696 12.5696 13.5620 13.6727 13.6727 13.8654 15.0801 15.0801 k = 0.1905 0.1100 0.0778 ( 2073 PWs) bands (ev): -30.6295 -30.6295 -11.7075 -11.7075 -10.2982 -10.2982 -10.2811 -10.2809 0.9378 0.9378 6.6192 6.6577 6.6577 6.9020 7.1254 7.1254 7.9409 8.0675 8.0675 8.4350 9.7047 9.7047 11.0616 11.0616 11.3178 11.4674 12.5803 12.5803 13.5994 13.7088 13.7088 13.8994 15.2104 15.2104 k = 0.2024 0.1168 0.0826 ( 2073 PWs) bands (ev): -30.6294 -30.6294 -11.7080 -11.7080 -10.3000 -10.3000 -10.2810 -10.2808 0.9766 0.9766 6.6095 6.6325 6.6325 6.8958 7.1086 7.1086 7.9476 8.0592 8.0592 8.4536 9.5981 9.5981 11.0305 11.0305 11.2677 11.4280 12.5913 12.5913 13.6393 13.7460 13.7460 13.9346 15.3330 15.3330 k = 0.2143 0.1237 0.0875 ( 2073 PWs) bands (ev): -30.6293 -30.6293 -11.7085 -11.7085 -10.3018 -10.3018 -10.2809 -10.2807 1.0167 1.0167 6.6006 6.6051 6.6051 6.8888 7.0929 7.0929 7.9556 8.0485 8.0485 8.4708 9.4971 9.4971 11.0008 11.0008 11.2188 11.3888 12.6026 12.6026 13.6815 13.7842 13.7842 13.9713 15.4474 15.4474 k = 0.2262 0.1306 0.0923 ( 2061 PWs) bands (ev): -30.6291 -30.6291 -11.7090 -11.7090 -10.3036 -10.3036 -10.2808 -10.2806 1.0581 1.0581 6.5754 6.5754 6.5925 6.8811 7.0787 7.0787 7.9647 8.0352 8.0352 8.4864 9.4020 9.4020 10.9726 10.9726 11.1712 11.3499 12.6143 12.6143 13.7259 13.8236 13.8236 14.0094 15.5532 15.5532 k = 0.2381 0.1375 0.0972 ( 2061 PWs) bands (ev): -30.6290 -30.6290 -11.7095 -11.7095 -10.3055 -10.3055 -10.2807 -10.2805 1.1006 1.1006 6.5436 6.5436 6.5854 6.8727 7.0661 7.0661 7.9748 8.0191 8.0191 8.5002 9.3132 9.3132 10.9460 10.9460 11.1252 11.3115 12.6263 12.6263 13.7723 13.8641 13.8641 14.0490 15.6487 15.6487 k = 0.2500 0.1443 0.1021 ( 2066 PWs) bands (ev): -30.6289 -30.6289 -11.7101 -11.7101 -10.3073 -10.3073 -10.2806 -10.2804 1.1439 1.1439 6.5095 6.5095 6.5791 6.8637 7.0552 7.0552 7.9858 8.0001 8.0001 8.5122 9.2309 9.2309 10.9211 10.9211 11.0811 11.2737 12.6388 12.6388 13.8207 13.9057 13.9057 14.0902 15.7291 15.7291 k = 0.2619 0.1512 0.1069 ( 2066 PWs) bands (ev): -30.6288 -30.6288 -11.7106 -11.7106 -10.3091 -10.3091 -10.2805 -10.2803 1.1879 1.1879 6.4734 6.4735 6.5737 6.8543 7.0461 7.0461 7.9784 7.9784 7.9975 8.5223 9.1553 9.1553 10.8979 10.8979 11.0391 11.2366 12.6518 12.6518 13.8709 13.9484 13.9484 14.1328 15.7847 15.7847 k = 0.2738 0.1581 0.1118 ( 2072 PWs) bands (ev): -30.6287 -30.6287 -11.7111 -11.7111 -10.3109 -10.3109 -10.2804 -10.2802 1.2324 1.2324 6.4356 6.4356 6.5693 6.8445 7.0388 7.0388 7.9538 7.9538 8.0101 8.5304 9.0862 9.0862 10.8764 10.8764 10.9995 11.2004 12.6653 12.6653 13.9229 13.9921 13.9921 14.1769 15.8039 15.8039 k = 0.2857 0.1650 0.1166 ( 2072 PWs) bands (ev): -30.6285 -30.6285 -11.7116 -11.7116 -10.3127 -10.3127 -10.2803 -10.2801 1.2771 1.2771 6.3961 6.3961 6.5658 6.8344 7.0334 7.0334 7.9267 7.9267 8.0232 8.5363 9.0238 9.0238 10.8566 10.8566 10.9623 11.1651 12.6792 12.6792 13.9764 14.0369 14.0369 14.2223 15.7831 15.7831 k = 0.2976 0.1718 0.1215 ( 2072 PWs) bands (ev): -30.6284 -30.6284 -11.7121 -11.7121 -10.3145 -10.3145 -10.2802 -10.2800 1.3217 1.3217 6.3553 6.3553 6.5632 6.8240 7.0297 7.0297 7.8973 7.8973 8.0370 8.5401 8.9676 8.9676 10.8385 10.8385 10.9276 11.1309 12.6936 12.6936 14.0314 14.0825 14.0825 14.2689 15.7302 15.7302 k = 0.3095 0.1787 0.1264 ( 2066 PWs) bands (ev): -30.6283 -30.6283 -11.7126 -11.7126 -10.3162 -10.3162 -10.2801 -10.2799 1.3661 1.3661 6.3136 6.3136 6.5615 6.8134 7.0279 7.0279 7.8660 7.8660 8.0514 8.5418 8.9175 8.9175 10.8222 10.8222 10.8957 11.0977 12.7085 12.7085 14.0876 14.1291 14.1291 14.3166 15.6559 15.6559 k = 0.3214 0.1856 0.1312 ( 2066 PWs) bands (ev): -30.6282 -30.6282 -11.7131 -11.7131 -10.3178 -10.3178 -10.2800 -10.2798 1.4100 1.4100 6.2713 6.2713 6.5608 6.8026 7.0277 7.0277 7.8331 7.8331 8.0663 8.5413 8.8729 8.8729 10.8074 10.8074 10.8666 11.0656 12.7238 12.7238 14.1450 14.1762 14.1762 14.3650 15.5688 15.5688 k = 0.3333 0.1925 0.1361 ( 2054 PWs) bands (ev): -30.6280 -30.6280 -11.7135 -11.7135 -10.3194 -10.3194 -10.2799 -10.2797 1.4530 1.4530 6.2289 6.2289 6.5609 6.7916 7.0292 7.0292 7.7992 7.7992 8.0818 8.5388 8.8336 8.8336 10.7943 10.7943 10.8403 11.0348 12.7394 12.7394 14.2031 14.2239 14.2239 14.4141 15.4750 15.4750 k = 0.3452 0.1993 0.1409 ( 2066 PWs) bands (ev): -30.6279 -30.6279 -11.7139 -11.7139 -10.3209 -10.3209 -10.2798 -10.2796 1.4949 1.4949 6.1866 6.1866 6.5619 6.7806 7.0322 7.0322 7.7648 7.7648 8.0977 8.5341 8.7989 8.7989 10.7826 10.7826 10.8169 11.0052 12.7554 12.7554 14.2619 14.2717 14.2717 14.4634 15.3785 15.3785 k = 0.3571 0.2062 0.1458 ( 2054 PWs) bands (ev): -30.6278 -30.6278 -11.7144 -11.7144 -10.3223 -10.3223 -10.2797 -10.2795 1.5355 1.5355 6.1451 6.1451 6.5638 6.7695 7.0366 7.0366 7.7302 7.7302 8.1141 8.5275 8.7685 8.7685 10.7723 10.7723 10.7963 10.9769 12.7716 12.7716 14.3195 14.3195 14.3210 14.5125 15.2823 15.2823 k = 0.3690 0.2131 0.1507 ( 2060 PWs) bands (ev): -30.6277 -30.6277 -11.7148 -11.7148 -10.3237 -10.3237 -10.2796 -10.2795 1.5743 1.5743 6.1047 6.1047 6.5665 6.7583 7.0424 7.0424 7.6959 7.6959 8.1310 8.5189 8.7418 8.7418 10.7633 10.7633 10.7786 10.9500 12.7879 12.7879 14.3666 14.3666 14.3799 14.5610 15.1886 15.1886 k = 0.3810 0.2199 0.1555 ( 2060 PWs) bands (ev): -30.6276 -30.6276 -11.7151 -11.7151 -10.3249 -10.3249 -10.2796 -10.2794 1.6111 1.6111 6.0659 6.0659 6.5700 6.7471 7.0493 7.0493 7.6623 7.6623 8.1484 8.5086 8.7186 8.7187 10.7555 10.7555 10.7636 10.9244 12.8042 12.8042 14.4127 14.4127 14.4384 14.6084 15.0991 15.0991 k = 0.3929 0.2268 0.1604 ( 2060 PWs) bands (ev): -30.6276 -30.6276 -11.7154 -11.7154 -10.3260 -10.3260 -10.2795 -10.2794 1.6457 1.6457 6.0292 6.0292 6.5743 6.7360 7.0573 7.0573 7.6298 7.6298 8.1662 8.4967 8.6985 8.6985 10.7488 10.7488 10.7514 10.9001 12.8203 12.8203 14.4568 14.4568 14.4959 14.6540 15.0154 15.0154 k = 0.4048 0.2337 0.1652 ( 2060 PWs) bands (ev): -30.6275 -30.6275 -11.7158 -11.7158 -10.3271 -10.3271 -10.2794 -10.2793 1.6775 1.6775 5.9949 5.9949 6.5793 6.7248 7.0661 7.0661 7.5987 7.5987 8.1844 8.4832 8.6812 8.6812 10.7419 10.7431 10.7431 10.8773 12.8359 12.8359 14.4980 14.4980 14.5518 14.6971 14.9391 14.9391 k = 0.4167 0.2406 0.1701 ( 2066 PWs) bands (ev): -30.6274 -30.6274 -11.7160 -11.7160 -10.3280 -10.3280 -10.2794 -10.2792 1.7065 1.7065 5.9635 5.9635 6.5849 6.7138 7.0755 7.0755 7.5695 7.5695 8.2030 8.4684 8.6664 8.6664 10.7349 10.7383 10.7383 10.8560 12.8509 12.8509 14.5345 14.5345 14.6054 14.7369 14.8720 14.8720 k = 0.4286 0.2474 0.1750 ( 2066 PWs) bands (ev): -30.6274 -30.6274 -11.7163 -11.7163 -10.3288 -10.3288 -10.2793 -10.2792 1.7323 1.7323 5.9354 5.9354 6.5913 6.7028 7.0852 7.0852 7.5425 7.5425 8.2220 8.4524 8.6540 8.6540 10.7305 10.7343 10.7343 10.8361 12.8649 12.8649 14.5639 14.5639 14.6562 14.7725 14.8168 14.8168 k = 0.4405 0.2543 0.1798 ( 2066 PWs) bands (ev): -30.6273 -30.6273 -11.7165 -11.7165 -10.3295 -10.3295 -10.2793 -10.2792 1.7546 1.7546 5.9109 5.9109 6.5983 6.6919 7.0948 7.0948 7.5182 7.5182 8.2413 8.4354 8.6437 8.6437 10.7283 10.7312 10.7312 10.8177 12.8775 12.8775 14.5820 14.5820 14.7031 14.7776 14.7776 14.8030 k = 0.4524 0.2612 0.1847 ( 2060 PWs) bands (ev): -30.6273 -30.6273 -11.7166 -11.7166 -10.3301 -10.3301 -10.2792 -10.2792 1.7732 1.7732 5.8905 5.8905 6.6058 6.6812 7.1039 7.1039 7.4970 7.4970 8.2608 8.4175 8.6354 8.6354 10.7285 10.7286 10.7286 10.8009 12.8885 12.8885 14.5850 14.5850 14.7453 14.7578 14.7578 14.8275 k = 0.4643 0.2681 0.1895 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7168 -11.7168 -10.3305 -10.3305 -10.2792 -10.2791 1.7879 1.7879 5.8742 5.8742 6.6138 6.6707 7.1119 7.1119 7.4796 7.4796 8.2806 8.3989 8.6291 8.6291 10.7267 10.7267 10.7309 10.7856 12.8975 12.8975 14.5757 14.5757 14.7546 14.7546 14.7820 14.8450 k = 0.4762 0.2749 0.1944 ( 2054 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3309 -10.3309 -10.2792 -10.2791 1.7985 1.7985 5.8625 5.8625 6.6224 6.6604 7.1182 7.1182 7.4665 7.4665 8.3005 8.3798 8.6247 8.6247 10.7254 10.7254 10.7353 10.7720 12.9042 12.9042 14.5626 14.5626 14.7590 14.7590 14.8122 14.8549 k = 0.4881 0.2818 0.1993 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3310 -10.3310 -10.2791 -10.2791 1.8049 1.8049 5.8554 5.8554 6.6313 6.6504 7.1223 7.1223 7.4584 7.4584 8.3205 8.3603 8.6220 8.6220 10.7246 10.7246 10.7417 10.7601 12.9083 12.9083 14.5526 14.5526 14.7639 14.7639 14.8350 14.8566 k = 0.5000 0.2887 0.2041 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3311 -10.3311 -10.2791 -10.2791 1.8071 1.8071 5.8530 5.8530 6.6407 6.6407 7.1237 7.1237 7.4556 7.4556 8.3405 8.3405 8.6211 8.6211 10.7244 10.7244 10.7500 10.7500 12.9097 12.9097 14.5490 14.5490 14.7658 14.7658 14.8500 14.8500 k = 0.5000 0.2887 0.2041 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3311 -10.3311 -10.2791 -10.2791 1.8071 1.8071 5.8530 5.8530 6.6407 6.6407 7.1237 7.1237 7.4556 7.4556 8.3405 8.3405 8.6211 8.6211 10.7244 10.7244 10.7500 10.7500 12.9097 12.9097 14.5490 14.5490 14.7658 14.7658 14.8500 14.8500 k = 0.5042 0.2766 0.2109 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7172 -11.7167 -10.3313 -10.3309 -10.2792 -10.2792 1.8059 1.8085 5.8501 5.8577 6.6409 6.6409 7.1216 7.1260 7.4504 7.4616 8.3412 8.3412 8.6155 8.6271 10.7194 10.7211 10.7473 10.7477 12.9136 12.9152 14.5195 14.5713 14.7470 14.7838 14.8540 14.8551 k = 0.5083 0.2646 0.2177 ( 2058 PWs) bands (ev): -30.6272 -30.6271 -11.7175 -11.7164 -10.3314 -10.3306 -10.2793 -10.2793 1.8048 1.8100 5.8491 5.8643 6.6414 6.6415 7.1195 7.1284 7.4460 7.4686 8.3435 8.3436 8.6101 8.6333 10.7061 10.7074 10.7397 10.7428 12.9265 12.9300 14.4859 14.5819 14.7339 14.7954 14.8651 14.8720 k = 0.5125 0.2526 0.2245 ( 2063 PWs) bands (ev): -30.6272 -30.6271 -11.7179 -11.7161 -10.3315 -10.3303 -10.2796 -10.2796 1.8040 1.8117 5.8499 5.8726 6.6422 6.6426 7.1175 7.1310 7.4422 7.4764 8.3472 8.3475 8.6049 8.6399 10.6823 10.6834 10.7291 10.7367 12.9475 12.9534 14.4503 14.5774 14.7303 14.8010 14.8827 14.8988 k = 0.5167 0.2406 0.2313 ( 2059 PWs) bands (ev): -30.6272 -30.6271 -11.7182 -11.7159 -10.3316 -10.3300 -10.2799 -10.2799 1.8032 1.8135 5.8526 5.8828 6.6433 6.6441 7.1156 7.1339 7.4390 7.4852 8.3522 8.3530 8.5999 8.6468 10.6473 10.6511 10.7166 10.7289 12.9756 12.9844 14.4139 14.5601 14.7341 14.8037 14.9069 14.9314 k = 0.5208 0.2285 0.2381 ( 2065 PWs) bands (ev): -30.6272 -30.6271 -11.7185 -11.7157 -10.3317 -10.3297 -10.2804 -10.2803 1.8027 1.8155 5.8572 5.8948 6.6445 6.6461 7.1137 7.1370 7.4364 7.4949 8.3587 8.3602 8.5952 8.6541 10.6036 10.6102 10.7022 10.7192 13.0089 13.0217 14.3778 14.5351 14.7408 14.8057 14.9372 14.9675 k = 0.5250 0.2165 0.2449 ( 2062 PWs) bands (ev): -30.6272 -30.6270 -11.7189 -11.7155 -10.3317 -10.3293 -10.2809 -10.2808 1.8024 1.8175 5.8637 5.9085 6.6458 6.6486 7.1119 7.1406 7.4341 7.5056 8.3664 8.3689 8.5905 8.6619 10.5526 10.5621 10.6857 10.7074 13.0457 13.0637 14.3429 14.5066 14.7478 14.8076 14.9727 15.0063 k = 0.5292 0.2045 0.2518 ( 2068 PWs) bands (ev): -30.6272 -30.6270 -11.7192 -11.7154 -10.3316 -10.3288 -10.2815 -10.2814 1.8022 1.8196 5.8720 5.9239 6.6472 6.6516 7.1101 7.1445 7.4322 7.5171 8.3753 8.3792 8.5861 8.6700 10.4955 10.5081 10.6672 10.6936 13.0840 13.1087 14.3101 14.4769 14.7542 14.8099 15.0123 15.0475 k = 0.5333 0.1925 0.2586 ( 2073 PWs) bands (ev): -30.6272 -30.6269 -11.7196 -11.7152 -10.3316 -10.3284 -10.2823 -10.2820 1.8022 1.8218 5.8822 5.9410 6.6485 6.6550 7.1083 7.1490 7.4305 7.5294 8.3855 8.3911 8.5818 8.6787 10.4334 10.4492 10.6467 10.6780 13.1216 13.1551 14.2804 14.4474 14.7599 14.8127 15.0553 15.0910 k = 0.5375 0.1804 0.2654 ( 2071 PWs) bands (ev): -30.6272 -30.6269 -11.7200 -11.7151 -10.3315 -10.3279 -10.2831 -10.2827 1.8023 1.8240 5.8943 5.9599 6.6496 6.6589 7.1065 7.1541 7.4290 7.5423 8.3967 8.4044 8.5776 8.6877 10.3671 10.3866 10.6244 10.6606 13.1566 13.2009 14.2548 14.4194 14.7653 14.8160 15.1010 15.1368 k = 0.5417 0.1684 0.2722 ( 2071 PWs) bands (ev): -30.6272 -30.6268 -11.7203 -11.7150 -10.3314 -10.3273 -10.2839 -10.2835 1.8026 1.8263 5.9081 5.9803 6.6506 6.6633 7.1047 7.1599 7.4275 7.5558 8.4090 8.4191 8.5737 8.6973 10.2977 10.3213 10.6003 10.6416 13.1869 13.2443 14.2342 14.3941 14.7705 14.8200 15.1488 15.1849 k = 0.5458 0.1564 0.2790 ( 2066 PWs) bands (ev): -30.6271 -30.6267 -11.7207 -11.7149 -10.3313 -10.3268 -10.2849 -10.2843 1.8029 1.8285 5.9236 6.0022 6.6514 6.6682 7.1029 7.1665 7.4260 7.5698 8.4221 8.4351 8.5700 8.7074 10.2258 10.2539 10.5747 10.6212 13.2106 13.2836 14.2197 14.3724 14.7758 14.8245 15.1983 15.2352 k = 0.5500 0.1443 0.2858 ( 2068 PWs) bands (ev): -30.6271 -30.6267 -11.7211 -11.7149 -10.3312 -10.3262 -10.2859 -10.2852 1.8035 1.8307 5.9408 6.0257 6.6520 6.6735 7.1011 7.1740 7.4245 7.5840 8.4360 8.4522 8.5667 8.7179 10.1522 10.1854 10.5477 10.5997 13.2265 13.3169 14.2117 14.3556 14.7814 14.8296 15.2489 15.2873 k = 0.5542 0.1323 0.2926 ( 2068 PWs) bands (ev): -30.6270 -30.6266 -11.7214 -11.7148 -10.3310 -10.3256 -10.2870 -10.2860 1.8041 1.8329 5.9596 6.0504 6.6522 6.6792 7.0993 7.1823 7.4227 7.5982 8.4503 8.4704 8.5641 8.7288 10.0774 10.1163 10.5196 10.5772 13.2338 13.3428 14.2105 14.3446 14.7873 14.8354 15.2999 15.3403 k = 0.5583 0.1203 0.2994 ( 2066 PWs) bands (ev): -30.6270 -30.6265 -11.7218 -11.7148 -10.3309 -10.3250 -10.2881 -10.2869 1.8047 1.8351 5.9798 6.0765 6.6522 6.6855 7.0976 7.1916 7.4207 7.6124 8.4646 8.4894 8.5626 8.7400 10.0021 10.0474 10.4906 10.5540 13.2324 13.3602 14.2157 14.3400 14.7937 14.8417 15.3505 15.3931 k = 0.5625 0.1083 0.3062 ( 2070 PWs) bands (ev): -30.6270 -30.6265 -11.7221 -11.7148 -10.3307 -10.3243 -10.2893 -10.2878 1.8055 1.8371 6.0013 6.1035 6.6519 6.6921 7.0959 7.2019 7.4184 7.6262 8.4778 8.5091 8.5631 8.7515 9.9268 9.9792 10.4609 10.5302 13.2227 13.3685 14.2267 14.3422 14.8006 14.8486 15.3994 15.4433 k = 0.5667 0.0962 0.3130 ( 2068 PWs) bands (ev): -30.6269 -30.6264 -11.7224 -11.7148 -10.3306 -10.3237 -10.2905 -10.2887 1.8063 1.8391 6.0239 6.1315 6.6514 6.6993 7.0945 7.2132 7.4157 7.6396 8.4886 8.5292 8.5671 8.7632 9.8518 9.9124 10.4308 10.5060 13.2058 13.3677 14.2423 14.3509 14.8082 14.8561 15.4446 15.4875 k = 0.5708 0.0842 0.3198 ( 2070 PWs) bands (ev): -30.6269 -30.6263 -11.7227 -11.7149 -10.3304 -10.3230 -10.2917 -10.2896 1.8071 1.8409 6.0474 6.1601 6.6509 6.7069 7.0933 7.2255 7.4126 7.6522 8.4955 8.5495 8.5759 8.7747 9.7777 9.8476 10.4004 10.4817 13.1828 13.3584 14.2614 14.3654 14.8165 14.8639 15.4831 15.5208 k = 0.5750 0.0722 0.3266 ( 2066 PWs) bands (ev): -30.6268 -30.6263 -11.7230 -11.7149 -10.3303 -10.3224 -10.2929 -10.2905 1.8079 1.8425 6.0715 6.1891 6.6503 6.7151 7.0925 7.2388 7.4090 7.6639 8.4983 8.5698 8.5898 8.7858 9.7048 9.7855 10.3701 10.4575 13.1549 13.3417 14.2830 14.3846 14.8255 14.8722 15.5107 15.5386 k = 0.5792 0.0601 0.3334 ( 2076 PWs) bands (ev): -30.6268 -30.6262 -11.7233 -11.7150 -10.3302 -10.3217 -10.2942 -10.2913 1.8087 1.8440 6.0959 6.2181 6.6499 6.7238 7.0921 7.2530 7.4050 7.6745 8.4979 8.5899 8.6080 8.7962 9.6337 9.7268 10.3401 10.4335 13.1234 13.3188 14.3060 14.4074 14.8352 14.8807 15.5224 15.5400 k = 0.5833 0.0481 0.3402 ( 2070 PWs) bands (ev): -30.6267 -30.6262 -11.7236 -11.7151 -10.3301 -10.3211 -10.2954 -10.2921 1.8094 1.8453 6.1203 6.2466 6.6497 6.7333 7.0924 7.2680 7.4005 7.6839 8.4953 8.6094 8.6291 8.8054 9.5647 9.6723 10.3107 10.4100 13.0894 13.2910 14.3300 14.4327 14.8455 14.8893 15.5169 15.5290 k = 0.5875 0.0361 0.3470 ( 2072 PWs) bands (ev): -30.6267 -30.6261 -11.7238 -11.7152 -10.3300 -10.3205 -10.2966 -10.2928 1.8101 1.8463 6.1441 6.2743 6.6501 6.7435 7.0934 7.2839 7.3956 7.6919 8.4916 8.6281 8.6524 8.8128 9.4982 9.6228 10.2820 10.3870 13.0537 13.2594 14.3543 14.4594 14.8565 14.8977 15.4981 15.5112 k = 0.5917 0.0241 0.3538 ( 2076 PWs) bands (ev): -30.6266 -30.6261 -11.7241 -11.7153 -10.3299 -10.3199 -10.2977 -10.2935 1.8106 1.8471 6.1671 6.3006 6.6512 6.7545 7.0954 7.3005 7.3903 7.6985 8.4871 8.6459 8.6772 8.8177 9.4348 9.5794 10.2544 10.3647 13.0171 13.2253 14.3786 14.4868 14.8678 14.9057 15.4689 15.4891 k = 0.5958 0.0120 0.3606 ( 2072 PWs) bands (ev): -30.6266 -30.6260 -11.7243 -11.7154 -10.3299 -10.3194 -10.2987 -10.2941 1.8110 1.8476 6.1885 6.3248 6.6533 6.7666 7.0986 7.3177 7.3846 7.7036 8.4823 8.6624 8.7030 8.8195 9.3750 9.5428 10.2282 10.3433 12.9803 13.1895 14.4029 14.5141 14.8791 14.9125 15.4141 15.4561 k = 0.6000 0.0000 0.3674 ( 2078 PWs) bands (ev): -30.6265 -30.6260 -11.7244 -11.7155 -10.3299 -10.3189 -10.2997 -10.2947 1.8112 1.8478 6.2080 6.3463 6.6566 6.7799 7.1031 7.3354 7.3788 7.7074 8.4773 8.6776 8.7293 8.8176 9.3193 9.5139 10.2034 10.3228 12.9438 13.1527 14.4270 14.5409 14.8898 14.9172 15.3453 15.4016 k = 0.6042-0.0120 0.3742 ( 2080 PWs) bands (ev): -30.6265 -30.6259 -11.7246 -11.7157 -10.3298 -10.3185 -10.3006 -10.2951 1.8111 1.8476 6.2249 6.3645 6.6612 6.7943 7.1093 7.3534 7.3728 7.7099 8.4724 8.6913 8.7553 8.8116 9.2686 9.4932 10.1804 10.3034 12.9080 13.1156 14.4510 14.5670 14.8987 14.9183 15.2779 15.3417 k = 0.6083-0.0241 0.3810 ( 2083 PWs) bands (ev): -30.6265 -30.6259 -11.7247 -11.7158 -10.3299 -10.3181 -10.3014 -10.2955 1.8108 1.8470 6.2388 6.3788 6.6674 6.8100 7.1173 7.3670 7.3716 7.7116 8.4675 8.7033 8.7803 8.8014 9.2240 9.4809 10.1592 10.2852 12.8733 13.0788 14.4751 14.5922 14.9036 14.9134 15.2166 15.2877 k = 0.6125-0.0361 0.3878 ( 2078 PWs) bands (ev): -30.6264 -30.6258 -11.7248 -11.7159 -10.3299 -10.3179 -10.3020 -10.2959 1.8102 1.8460 6.2493 6.3887 6.6752 6.8269 7.1274 7.3616 7.3897 7.7128 8.4629 8.7137 8.7874 8.8027 9.1869 9.4766 10.1402 10.2681 12.8400 13.0427 14.4993 14.6164 14.8993 14.9003 15.1662 15.2450 k = 0.6167-0.0481 0.3946 ( 2082 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7161 -10.3299 -10.3178 -10.3024 -10.2961 1.8091 1.8445 6.2560 6.3939 6.6844 6.8447 7.1396 7.3567 7.4075 7.7140 8.4586 8.7224 8.7703 8.8207 9.1593 9.4797 10.1233 10.2521 12.8083 13.0076 14.5239 14.6395 14.8737 14.8839 15.1324 15.2167 k = 0.6208-0.0601 0.4014 ( 2080 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7162 -10.3300 -10.3178 -10.3027 -10.2963 1.8077 1.8425 6.2589 6.3943 6.6950 6.8632 7.1540 7.3529 7.4246 7.7159 8.4545 8.7287 8.7516 8.8321 9.1435 9.4893 10.1087 10.2374 12.7784 12.9738 14.5489 14.6610 14.8369 14.8529 15.1181 15.2035 k = 0.6250-0.0722 0.4082 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.6250-0.0722 0.4082 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.6181-0.0682 0.4196 ( 2083 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8058 1.8399 6.2586 6.3906 6.7034 6.8857 7.1667 7.3468 7.4491 7.7193 8.4507 8.7229 8.7405 8.8358 9.1381 9.5004 10.0961 10.2264 12.7540 12.9450 14.5684 14.6733 14.7820 14.8120 15.1178 15.1994 k = 0.6111-0.0642 0.4309 ( 2079 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3178 -10.3029 -10.2965 1.8060 1.8403 6.2608 6.3928 6.6945 6.8955 7.1568 7.3389 7.4708 7.7199 8.4509 8.7186 8.7398 8.8365 9.1299 9.4888 10.0953 10.2335 12.7648 12.9555 14.5520 14.6583 14.7568 14.8027 15.1122 15.1899 k = 0.6042-0.0601 0.4423 ( 2079 PWs) bands (ev): -30.6264 -30.6258 -11.7250 -11.7163 -10.3299 -10.3177 -10.3030 -10.2967 1.8064 1.8408 6.2643 6.3964 6.6815 6.9098 7.1419 7.3307 7.5005 7.7210 8.4511 8.7110 8.7395 8.8374 9.1168 9.4698 10.0949 10.2440 12.7826 12.9729 14.5262 14.6339 14.7222 14.7835 15.1038 15.1763 k = 0.5972-0.0561 0.4536 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7250 -11.7163 -10.3298 -10.3175 -10.3031 -10.2970 1.8070 1.8416 6.2692 6.4015 6.6661 6.9265 7.1239 7.3237 7.5349 7.7227 8.4513 8.7001 8.7398 8.8382 9.0995 9.4441 10.0953 10.2565 12.8073 12.9970 14.4926 14.6015 14.6814 14.7553 15.0938 15.1601 k = 0.5903-0.0521 0.4649 ( 2081 PWs) bands (ev): -30.6264 -30.6258 -11.7251 -11.7163 -10.3297 -10.3173 -10.3033 -10.2973 1.8077 1.8425 6.2754 6.4079 6.6495 6.9441 7.1044 7.3179 7.5725 7.7251 8.4515 8.6863 8.7405 8.8384 9.0791 9.4126 10.0970 10.2701 12.8385 13.0273 14.4529 14.5619 14.6375 14.7198 15.0826 15.1425 k = 0.5833-0.0481 0.4763 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7251 -11.7162 -10.3295 -10.3170 -10.3035 -10.2977 1.8086 1.8436 6.2829 6.4157 6.6324 6.9607 7.0853 7.3131 7.6119 7.7284 8.4514 8.6700 8.7416 8.8378 9.0566 9.3763 10.0998 10.2837 12.8759 13.0635 14.4082 14.5163 14.5930 14.6794 15.0704 15.1240 k = 0.5764-0.0441 0.4876 ( 2085 PWs) bands (ev): -30.6264 -30.6257 -11.7252 -11.7162 -10.3294 -10.3167 -10.3037 -10.2981 1.8095 1.8449 6.2915 6.4247 6.6152 6.9740 7.0691 7.3090 7.6517 7.7336 8.4507 8.6519 8.7430 8.8359 9.0334 9.3362 10.1036 10.2968 12.9189 13.1050 14.3592 14.4656 14.5500 14.6363 15.0574 15.1048 k = 0.5694-0.0401 0.4990 ( 2091 PWs) bands (ev): -30.6264 -30.6258 -11.7253 -11.7162 -10.3292 -10.3163 -10.3039 -10.2986 1.8106 1.8463 6.3014 6.4348 6.5984 6.9800 7.0595 7.3055 7.6889 7.7432 8.4489 8.6327 8.7445 8.8324 9.0106 9.2934 10.1081 10.3091 12.9672 13.1514 14.3061 14.4108 14.5100 14.5928 15.0434 15.0853 k = 0.5625-0.0361 0.5103 ( 2089 PWs) bands (ev): -30.6264 -30.6257 -11.7253 -11.7161 -10.3291 -10.3159 -10.3042 -10.2991 1.8117 1.8477 6.3123 6.4459 6.5819 6.9758 7.0595 7.3026 7.7154 7.7646 8.4450 8.6138 8.7460 8.8269 8.9897 9.2489 10.1128 10.3201 13.0201 13.2021 14.2490 14.3529 14.4739 14.5510 15.0286 15.0656 k = 0.5556-0.0321 0.5217 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7254 -11.7161 -10.3289 -10.3154 -10.3044 -10.2997 1.8129 1.8492 6.3242 6.4578 6.5658 6.9636 7.0665 7.3003 7.7287 7.7998 8.4379 8.5969 8.7471 8.8195 8.9717 9.2039 10.1176 10.3299 13.0770 13.2564 14.1884 14.2927 14.4423 14.5126 15.0130 15.0460 k = 0.5486-0.0281 0.5330 ( 2088 PWs) bands (ev): -30.6263 -30.6257 -11.7255 -11.7161 -10.3288 -10.3150 -10.3047 -10.3003 1.8141 1.8508 6.3369 6.4704 6.5502 6.9480 7.0759 7.2985 7.7369 7.8399 8.4262 8.5841 8.7468 8.8107 8.9572 9.1593 10.1222 10.3383 13.1372 13.3138 14.1249 14.2304 14.4155 14.4788 14.9968 15.0266 k = 0.5417-0.0241 0.5443 ( 2086 PWs) bands (ev): -30.6263 -30.6257 -11.7256 -11.7160 -10.3286 -10.3145 -10.3050 -10.3008 1.8153 1.8523 6.3505 6.4832 6.5351 6.9316 7.0850 7.2973 7.7439 7.8802 8.4095 8.5770 8.7434 8.8027 8.9464 9.1162 10.1263 10.3454 13.1997 13.3735 14.0594 14.1665 14.3938 14.4502 14.9803 15.0080 k = 0.5347-0.0200 0.5557 ( 2092 PWs) bands (ev): -30.6263 -30.6257 -11.7256 -11.7160 -10.3285 -10.3140 -10.3052 -10.3014 1.8164 1.8537 6.3648 6.4958 6.5203 6.9156 7.0928 7.2967 7.7505 7.9184 8.3891 8.5758 8.7345 8.7981 8.9390 9.0757 10.1298 10.3512 13.2638 13.4350 13.9930 14.1014 14.3771 14.4272 14.9639 14.9904 k = 0.5278-0.0160 0.5670 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7257 -11.7160 -10.3283 -10.3136 -10.3055 -10.3019 1.8175 1.8550 6.3797 6.5036 6.5098 6.9010 7.0989 7.2965 7.7567 7.9528 8.3674 8.5800 8.7198 8.7981 8.9342 9.0388 10.1328 10.3557 13.3280 13.4976 13.9271 14.0358 14.3650 14.4097 14.9483 14.9743 k = 0.5208-0.0120 0.5784 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3283 -10.3132 -10.3057 -10.3023 1.8184 1.8561 6.3951 6.4901 6.5194 6.8883 7.1032 7.2967 7.7624 7.9815 8.3472 8.5886 8.7011 8.8012 8.9314 9.0068 10.1350 10.3591 13.3906 13.5605 13.8634 13.9704 14.3570 14.3976 14.9344 14.9603 k = 0.5139-0.0080 0.5897 ( 2094 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3282 -10.3128 -10.3059 -10.3026 1.8191 1.8570 6.4109 6.4752 6.5282 6.8782 7.1059 7.2969 7.7671 8.0026 8.3316 8.6010 8.6805 8.8057 8.9299 8.9814 10.1365 10.3614 13.4482 13.6225 13.8051 13.9066 14.3523 14.3902 14.9231 14.9491 k = 0.5069-0.0040 0.6010 ( 2100 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7160 -10.3281 -10.3126 -10.3061 -10.3028 1.8195 1.8576 6.4270 6.4598 6.5341 6.8717 7.1073 7.2971 7.7704 8.0148 8.3223 8.6162 8.6599 8.8097 8.9286 8.9652 10.1374 10.3627 13.4936 13.6797 13.7592 13.8484 14.3501 14.3868 14.9155 14.9415 k = 0.5000 0.0000 0.6124 ( 2120 PWs) bands (ev): -30.6264 -30.6257 -11.7258 -11.7159 -10.3281 -10.3125 -10.3062 -10.3029 1.8197 1.8578 6.4411 6.4461 6.5362 6.8693 7.1077 7.2972 7.7716 8.0185 8.3195 8.6282 8.6461 8.8114 8.9276 8.9599 10.1377 10.3632 13.5123 13.7112 13.7401 13.8168 14.3495 14.3860 14.9128 14.9386 k = 0.5000 0.0000 0.6124 ( 2120 PWs) bands (ev): -30.6264 -30.6257 -11.7258 -11.7159 -10.3281 -10.3125 -10.3062 -10.3029 1.8197 1.8578 6.4411 6.4461 6.5362 6.8693 7.1077 7.2972 7.7716 8.0185 8.3195 8.6282 8.6461 8.8114 8.9276 8.9599 10.1377 10.3632 13.5123 13.7112 13.7401 13.8168 14.3495 14.3860 14.9128 14.9386 k = 0.5000 0.0082 0.6007 ( 2102 PWs) bands (ev): -30.6264 -30.6257 -11.7258 -11.7159 -10.3281 -10.3126 -10.3061 -10.3028 1.8197 1.8577 6.4390 6.4464 6.5350 6.8697 7.1064 7.2976 7.7703 8.0104 8.3263 8.6073 8.6691 8.8133 8.9283 8.9620 10.1380 10.3632 13.5115 13.7097 13.7402 13.8186 14.3533 14.3896 14.9153 14.9418 k = 0.5000 0.0165 0.5890 ( 2092 PWs) bands (ev): -30.6263 -30.6257 -11.7258 -11.7159 -10.3282 -10.3128 -10.3058 -10.3027 1.8195 1.8576 6.4325 6.4476 6.5313 6.8707 7.1026 7.2986 7.7663 7.9889 8.3440 8.5819 8.7012 8.8184 8.9296 8.9699 10.1390 10.3635 13.5091 13.7055 13.7407 13.8238 14.3646 14.4003 14.9230 14.9513 k = 0.5000 0.0247 0.5774 ( 2092 PWs) bands (ev): -30.6263 -30.6257 -11.7257 -11.7159 -10.3282 -10.3132 -10.3053 -10.3024 1.8193 1.8574 6.4220 6.4496 6.5250 6.8724 7.0962 7.3001 7.7596 7.9590 8.3673 8.5591 8.7363 8.8247 8.9296 8.9866 10.1407 10.3641 13.5053 13.6994 13.7416 13.8317 14.3830 14.4178 14.9358 14.9668 k = 0.5000 0.0330 0.5657 ( 2094 PWs) bands (ev): -30.6264 -30.6257 -11.7257 -11.7158 -10.3283 -10.3137 -10.3047 -10.3020 1.8189 1.8570 6.4077 6.4523 6.5163 6.8750 7.0873 7.3021 7.7497 7.9253 8.3912 8.5395 8.7738 8.8310 8.9275 9.0138 10.1432 10.3651 13.5001 13.6920 13.7433 13.8417 14.4081 14.4417 14.9538 14.9879 k = 0.5000 0.0412 0.5541 ( 2096 PWs) bands (ev): -30.6264 -30.6257 -11.7256 -11.7158 -10.3283 -10.3143 -10.3041 -10.3016 1.8184 1.8566 6.3902 6.4550 6.5054 6.8785 7.0762 7.3044 7.7364 7.8914 8.4126 8.5237 8.8065 8.8439 8.9240 9.0507 10.1469 10.3667 13.4939 13.6837 13.7462 13.8533 14.4394 14.4713 14.9769 15.0142 k = 0.5000 0.0495 0.5424 ( 2088 PWs) bands (ev): -30.6264 -30.6257 -11.7255 -11.7157 -10.3284 -10.3149 -10.3033 -10.3010 1.8179 1.8561 6.3699 6.4560 6.4941 6.8830 7.0630 7.3067 7.7190 7.8596 8.4293 8.5124 8.8164 8.8790 8.9221 9.0955 10.1518 10.3692 13.4868 13.6749 13.7506 13.8664 14.4758 14.5059 15.0049 15.0455 k = 0.5000 0.0577 0.5307 ( 2078 PWs) bands (ev): -30.6264 -30.6258 -11.7253 -11.7156 -10.3285 -10.3155 -10.3025 -10.3004 1.8173 1.8555 6.3473 6.4508 6.4870 6.8882 7.0482 7.3088 7.6976 7.8315 8.4401 8.5063 8.8142 8.9003 8.9473 9.1466 10.1583 10.3728 13.4791 13.6656 13.7569 13.8810 14.5165 14.5449 15.0375 15.0812 k = 0.5000 0.0660 0.5191 ( 2082 PWs) bands (ev): -30.6265 -30.6258 -11.7252 -11.7156 -10.3286 -10.3162 -10.3016 -10.2997 1.8166 1.8547 6.3228 6.4360 6.4876 6.8939 7.0322 7.3104 7.6724 7.8075 8.4450 8.5054 8.8075 8.8954 9.0040 9.2025 10.1665 10.3777 13.4709 13.6557 13.7653 13.8972 14.5601 14.5875 15.0742 15.1210 k = 0.5000 0.0742 0.5074 ( 2074 PWs) bands (ev): -30.6265 -30.6258 -11.7250 -11.7155 -10.3288 -10.3169 -10.3007 -10.2990 1.8158 1.8539 6.2968 6.4150 6.4928 6.8995 7.0160 7.3111 7.6449 7.7871 8.4456 8.5083 8.7978 8.8864 9.0684 9.2620 10.1766 10.3841 13.4625 13.6452 13.7760 13.9151 14.6052 14.6328 15.1144 15.1643 k = 0.5000 0.0825 0.4957 ( 2074 PWs) bands (ev): -30.6265 -30.6259 -11.7248 -11.7154 -10.3289 -10.3175 -10.2997 -10.2981 1.8149 1.8529 6.2696 6.3906 6.5000 6.9038 7.0008 7.3108 7.6164 7.7693 8.4442 8.5128 8.7854 8.8758 9.1369 9.3244 10.1889 10.3923 13.4538 13.6340 13.7891 13.9347 14.6504 14.6799 15.1575 15.2106 k = 0.5000 0.0907 0.4841 ( 2074 PWs) bands (ev): -30.6265 -30.6259 -11.7246 -11.7153 -10.3290 -10.3182 -10.2987 -10.2973 1.8141 1.8519 6.2417 6.3639 6.5084 6.9046 6.9892 7.3091 7.5884 7.7532 8.4421 8.5177 8.7706 8.8643 9.2084 9.3891 10.2035 10.4022 13.4449 13.6221 13.8047 13.9560 14.6943 14.7274 15.2024 15.2591 k = 0.5000 0.0990 0.4724 ( 2072 PWs) bands (ev): -30.6266 -30.6260 -11.7244 -11.7152 -10.3292 -10.3189 -10.2977 -10.2963 1.8131 1.8507 6.2133 6.3358 6.5174 6.8993 6.9838 7.3058 7.5618 7.7382 8.4399 8.5224 8.7534 8.8521 9.2821 9.4555 10.2203 10.4141 13.4360 13.6092 13.8227 13.9790 14.7354 14.7735 15.2479 15.3087 k = 0.5000 0.1072 0.4607 ( 2072 PWs) bands (ev): -30.6266 -30.6260 -11.7242 -11.7151 -10.3294 -10.3196 -10.2966 -10.2954 1.8122 1.8493 6.1847 6.3065 6.5270 6.8874 6.9854 7.3006 7.5376 7.7238 8.4377 8.5267 8.7340 8.8395 9.3575 9.5233 10.2395 10.4278 13.4268 13.5951 13.8429 14.0038 14.7725 14.8163 15.2922 15.3575 k = 0.5000 0.1155 0.4491 ( 2072 PWs) bands (ev): -30.6267 -30.6261 -11.7239 -11.7150 -10.3296 -10.3203 -10.2955 -10.2944 1.8112 1.8479 6.1563 6.2766 6.5369 6.8708 6.9919 7.2934 7.5160 7.7097 8.4355 8.5308 8.7126 8.8267 9.4341 9.5923 10.2609 10.4434 13.4172 13.5798 13.8653 14.0301 14.8042 14.8539 15.3331 15.4020 k = 0.5000 0.1237 0.4374 ( 2070 PWs) bands (ev): -30.6267 -30.6262 -11.7236 -11.7150 -10.3297 -10.3210 -10.2944 -10.2934 1.8102 1.8464 6.1282 6.2464 6.5470 6.8520 7.0011 7.2842 7.4975 7.6957 8.4331 8.5346 8.6894 8.8137 9.5117 9.6621 10.2843 10.4606 13.4072 13.5630 13.8896 14.0579 14.8293 14.8848 15.3679 15.4371 k = 0.5000 0.1320 0.4257 ( 2066 PWs) bands (ev): -30.6268 -30.6262 -11.7233 -11.7149 -10.3299 -10.3217 -10.2932 -10.2924 1.8092 1.8447 6.1007 6.2161 6.5571 6.8322 7.0118 7.2734 7.4820 7.6817 8.4303 8.5382 8.6648 8.8008 9.5899 9.7326 10.3096 10.4792 13.3963 13.5443 13.9156 14.0870 14.8468 14.9080 15.3936 15.4567 k = 0.5000 0.1402 0.4141 ( 2062 PWs) bands (ev): -30.6268 -30.6263 -11.7230 -11.7149 -10.3301 -10.3224 -10.2921 -10.2913 1.8082 1.8429 6.0740 6.1861 6.5672 6.8122 7.0231 7.2611 7.4693 7.6676 8.4272 8.5417 8.6393 8.7879 9.6685 9.8035 10.3366 10.4991 13.3843 13.5234 13.9432 14.1173 14.8565 14.9234 15.4076 15.4578 k = 0.5000 0.1485 0.4024 ( 2062 PWs) bands (ev): -30.6268 -30.6263 -11.7227 -11.7148 -10.3303 -10.3231 -10.2909 -10.2903 1.8073 1.8411 6.0482 6.1566 6.5770 6.7927 7.0345 7.2480 7.4591 7.6534 8.4235 8.5450 8.6132 8.7752 9.7473 9.8746 10.3648 10.5199 13.3708 13.5000 13.9720 14.1486 14.8587 14.9312 15.4080 15.4413 k = 0.5000 0.1567 0.3908 ( 2066 PWs) bands (ev): -30.6269 -30.6264 -11.7224 -11.7148 -10.3305 -10.3238 -10.2898 -10.2893 1.8064 1.8391 6.0237 6.1277 6.5864 6.7739 7.0457 7.2345 7.4510 7.6390 8.4194 8.5478 8.5874 8.7628 9.8260 9.9459 10.3940 10.5412 13.3552 13.4737 14.0020 14.1806 14.8543 14.9326 15.3944 15.4112 k = 0.5000 0.1650 0.3791 ( 2062 PWs) bands (ev): -30.6269 -30.6265 -11.7221 -11.7148 -10.3307 -10.3244 -10.2887 -10.2882 1.8055 1.8370 6.0004 6.0998 6.5954 6.7560 7.0563 7.2210 7.4447 7.6246 8.4147 8.5468 8.5654 8.7507 9.9044 10.0170 10.4238 10.5629 13.3372 13.4443 14.0329 14.2134 14.8447 14.9286 15.3647 15.3755 k = 0.5000 0.1732 0.3674 ( 2060 PWs) bands (ev): -30.6270 -30.6265 -11.7217 -11.7148 -10.3309 -10.3251 -10.2876 -10.2872 1.8047 1.8349 5.9785 6.0729 6.6038 6.7392 7.0661 7.2080 7.4399 7.6102 8.4096 8.5294 8.5603 8.7389 9.9824 10.0877 10.4538 10.5845 13.3162 13.4115 14.0646 14.2466 14.8315 14.9206 15.3200 15.3402 k = 0.5000 0.1815 0.3558 ( 2064 PWs) bands (ev): -30.6270 -30.6266 -11.7214 -11.7148 -10.3310 -10.3257 -10.2866 -10.2863 1.8040 1.8327 5.9581 6.0472 6.6115 6.7237 7.0751 7.1958 7.4364 7.5958 8.4040 8.5054 8.5627 8.7276 10.0595 10.1578 10.4837 10.6057 13.2920 13.3752 14.0971 14.2801 14.8163 14.9097 15.2708 15.3009 k = 0.5000 0.1897 0.3441 ( 2064 PWs) bands (ev): -30.6271 -30.6267 -11.7210 -11.7148 -10.3312 -10.3263 -10.2856 -10.2853 1.8034 1.8305 5.9393 6.0227 6.6184 6.7094 7.0831 7.1846 7.4339 7.5816 8.3981 8.4815 8.5661 8.7167 10.1355 10.2270 10.5132 10.6263 13.2643 13.3356 14.1302 14.3137 14.8005 14.8970 15.2209 15.2589 k = 0.5000 0.1979 0.3324 ( 2062 PWs) bands (ev): -30.6271 -30.6267 -11.7207 -11.7149 -10.3313 -10.3268 -10.2846 -10.2844 1.8029 1.8283 5.9222 5.9997 6.6243 6.6966 7.0901 7.1745 7.4323 7.5676 8.3919 8.4589 8.5699 8.7063 10.2101 10.2946 10.5418 10.6459 13.2331 13.2930 14.1638 14.3474 14.7855 14.8835 15.1719 15.2156 k = 0.5000 0.2062 0.3208 ( 2066 PWs) bands (ev): -30.6271 -30.6268 -11.7203 -11.7150 -10.3314 -10.3274 -10.2837 -10.2836 1.8025 1.8260 5.9068 5.9781 6.6294 6.6852 7.0960 7.1656 7.4315 7.5539 8.3856 8.4378 8.5738 8.6964 10.2827 10.3604 10.5694 10.6642 13.1986 13.2479 14.1981 14.3809 14.7721 14.8701 15.1245 15.1720 k = 0.5000 0.2144 0.3091 ( 2068 PWs) bands (ev): -30.6272 -30.6269 -11.7199 -11.7151 -10.3315 -10.3279 -10.2829 -10.2828 1.8023 1.8238 5.8932 5.9580 6.6336 6.6752 7.1010 7.1578 7.4314 7.5407 8.3791 8.4185 8.5779 8.6869 10.3528 10.4237 10.5956 10.6810 13.1615 13.2010 14.2330 14.4141 14.7609 14.8572 15.0794 15.1290 k = 0.5000 0.2227 0.2974 ( 2066 PWs) bands (ev): -30.6272 -30.6269 -11.7196 -11.7152 -10.3316 -10.3284 -10.2821 -10.2820 1.8022 1.8216 5.8814 5.9396 6.6368 6.6667 7.1050 7.1512 7.4319 7.5281 8.3728 8.4013 8.5821 8.6779 10.4197 10.4836 10.6202 10.6962 13.1225 13.1535 14.2685 14.4468 14.7520 14.8453 15.0367 15.0868 k = 0.5000 0.2309 0.2858 ( 2064 PWs) bands (ev): -30.6272 -30.6270 -11.7192 -11.7154 -10.3316 -10.3289 -10.2814 -10.2814 1.8022 1.8195 5.8714 5.9227 6.6391 6.6595 7.1084 7.1457 7.4330 7.5161 8.3666 8.3862 8.5864 8.6694 10.4827 10.5395 10.6432 10.7095 13.0829 13.1066 14.3046 14.4786 14.7451 14.8344 14.9970 15.0457 k = 0.5000 0.2392 0.2741 ( 2066 PWs) bands (ev): -30.6272 -30.6270 -11.7189 -11.7155 -10.3317 -10.3293 -10.2808 -10.2808 1.8024 1.8174 5.8633 5.9076 6.6406 6.6537 7.1111 7.1411 7.4346 7.5048 8.3607 8.3734 8.5908 8.6614 10.5409 10.5901 10.6643 10.7207 13.0440 13.0615 14.3411 14.5092 14.7397 14.8247 14.9606 15.0060 k = 0.5000 0.2474 0.2624 ( 2066 PWs) bands (ev): -30.6272 -30.6271 -11.7185 -11.7157 -10.3317 -10.3297 -10.2803 -10.2803 1.8027 1.8154 5.8570 5.8941 6.6414 6.6491 7.1135 7.1372 7.4366 7.4944 8.3553 8.3627 8.5954 8.6538 10.5934 10.6342 10.6838 10.7298 13.0072 13.0199 14.3779 14.5375 14.7350 14.8162 14.9284 14.9679 k = 0.5000 0.2557 0.2508 ( 2066 PWs) bands (ev): -30.6272 -30.6271 -11.7182 -11.7159 -10.3316 -10.3300 -10.2799 -10.2799 1.8033 1.8134 5.8525 5.8824 6.6417 6.6456 7.1156 7.1339 7.4392 7.4848 8.3504 8.3543 8.6001 8.6465 10.6388 10.6701 10.7021 10.7369 12.9743 12.9831 14.4147 14.5616 14.7309 14.8090 14.9012 14.9319 k = 0.5000 0.2639 0.2391 ( 2060 PWs) bands (ev): -30.6272 -30.6271 -11.7179 -11.7162 -10.3315 -10.3304 -10.2796 -10.2796 1.8040 1.8117 5.8499 5.8724 6.6415 6.6432 7.1176 7.1310 7.4423 7.4762 8.3464 8.3480 8.6051 8.6397 10.6761 10.6957 10.7203 10.7419 12.9468 12.9526 14.4512 14.5780 14.7292 14.8028 14.8797 14.8992 k = 0.5000 0.2722 0.2275 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7175 -11.7164 -10.3314 -10.3306 -10.2793 -10.2793 1.8048 1.8100 5.8491 5.8641 6.6412 6.6417 7.1195 7.1284 7.4460 7.4684 8.3432 8.3437 8.6102 8.6332 10.7035 10.7117 10.7365 10.7453 12.9261 12.9296 14.4866 14.5819 14.7339 14.7956 14.8640 14.8722 k = 0.5000 0.2804 0.2158 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7172 -11.7167 -10.3313 -10.3309 -10.2792 -10.2792 1.8059 1.8085 5.8501 5.8577 6.6409 6.6409 7.1216 7.1260 7.4505 7.4616 8.3412 8.3412 8.6155 8.6270 10.7193 10.7214 10.7468 10.7482 12.9135 12.9151 14.5198 14.5712 14.7472 14.7837 14.8538 14.8551 k = 0.5000 0.2887 0.2041 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3311 -10.3311 -10.2791 -10.2791 1.8071 1.8071 5.8530 5.8530 6.6407 6.6407 7.1237 7.1237 7.4556 7.4556 8.3405 8.3405 8.6211 8.6211 10.7244 10.7244 10.7500 10.7500 12.9097 12.9097 14.5490 14.5490 14.7658 14.7658 14.8500 14.8500 k = 0.5000 0.2887 0.2041 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7169 -11.7169 -10.3311 -10.3311 -10.2791 -10.2791 1.8071 1.8071 5.8530 5.8530 6.6407 6.6407 7.1237 7.1237 7.4556 7.4556 8.3405 8.3405 8.6211 8.6211 10.7244 10.7244 10.7500 10.7500 12.9097 12.9097 14.5490 14.5490 14.7658 14.7658 14.8500 14.8500 k = 0.4958 0.2863 0.2177 ( 2060 PWs) bands (ev): -30.6272 -30.6272 -11.7172 -11.7167 -10.3313 -10.3309 -10.2792 -10.2792 1.8059 1.8085 5.8501 5.8577 6.6409 6.6409 7.1216 7.1260 7.4504 7.4616 8.3412 8.3412 8.6155 8.6271 10.7194 10.7211 10.7473 10.7477 12.9136 12.9152 14.5195 14.5713 14.7470 14.7838 14.8540 14.8551 k = 0.4917 0.2839 0.2313 ( 2058 PWs) bands (ev): -30.6272 -30.6271 -11.7175 -11.7164 -10.3314 -10.3306 -10.2793 -10.2793 1.8048 1.8100 5.8491 5.8643 6.6414 6.6415 7.1195 7.1284 7.4460 7.4686 8.3435 8.3436 8.6101 8.6333 10.7061 10.7074 10.7397 10.7428 12.9265 12.9300 14.4859 14.5819 14.7339 14.7954 14.8651 14.8720 k = 0.4875 0.2815 0.2449 ( 2063 PWs) bands (ev): -30.6272 -30.6271 -11.7179 -11.7161 -10.3315 -10.3303 -10.2796 -10.2796 1.8040 1.8117 5.8499 5.8726 6.6422 6.6426 7.1175 7.1310 7.4422 7.4764 8.3472 8.3475 8.6049 8.6399 10.6823 10.6834 10.7291 10.7367 12.9475 12.9534 14.4503 14.5774 14.7303 14.8010 14.8827 14.8988 k = 0.4833 0.2791 0.2586 ( 2059 PWs) bands (ev): -30.6272 -30.6271 -11.7182 -11.7159 -10.3316 -10.3300 -10.2799 -10.2799 1.8032 1.8135 5.8526 5.8828 6.6433 6.6441 7.1156 7.1339 7.4390 7.4852 8.3522 8.3530 8.5999 8.6468 10.6473 10.6511 10.7166 10.7289 12.9756 12.9844 14.4139 14.5601 14.7341 14.8037 14.9069 14.9314 k = 0.4792 0.2766 0.2722 ( 2065 PWs) bands (ev): -30.6272 -30.6271 -11.7185 -11.7157 -10.3317 -10.3297 -10.2804 -10.2803 1.8027 1.8155 5.8572 5.8948 6.6445 6.6461 7.1137 7.1370 7.4364 7.4949 8.3587 8.3602 8.5952 8.6541 10.6036 10.6102 10.7022 10.7192 13.0089 13.0217 14.3778 14.5351 14.7408 14.8057 14.9372 14.9675 k = 0.4750 0.2742 0.2858 ( 2062 PWs) bands (ev): -30.6272 -30.6270 -11.7189 -11.7155 -10.3317 -10.3293 -10.2809 -10.2808 1.8024 1.8175 5.8637 5.9085 6.6458 6.6486 7.1119 7.1406 7.4341 7.5056 8.3664 8.3689 8.5905 8.6619 10.5526 10.5621 10.6857 10.7074 13.0457 13.0637 14.3429 14.5066 14.7478 14.8076 14.9727 15.0063 k = 0.4708 0.2718 0.2994 ( 2068 PWs) bands (ev): -30.6272 -30.6270 -11.7192 -11.7154 -10.3316 -10.3288 -10.2815 -10.2814 1.8022 1.8196 5.8720 5.9239 6.6472 6.6516 7.1101 7.1445 7.4322 7.5171 8.3753 8.3792 8.5861 8.6700 10.4955 10.5081 10.6672 10.6936 13.0840 13.1087 14.3101 14.4769 14.7542 14.8099 15.0123 15.0475 k = 0.4667 0.2694 0.3130 ( 2073 PWs) bands (ev): -30.6272 -30.6269 -11.7196 -11.7152 -10.3316 -10.3284 -10.2823 -10.2820 1.8022 1.8218 5.8822 5.9410 6.6485 6.6550 7.1083 7.1490 7.4305 7.5294 8.3855 8.3911 8.5818 8.6787 10.4334 10.4492 10.6467 10.6780 13.1216 13.1551 14.2804 14.4474 14.7599 14.8127 15.0553 15.0910 k = 0.4625 0.2670 0.3266 ( 2071 PWs) bands (ev): -30.6272 -30.6269 -11.7200 -11.7151 -10.3315 -10.3279 -10.2831 -10.2827 1.8023 1.8240 5.8943 5.9599 6.6496 6.6589 7.1065 7.1541 7.4290 7.5423 8.3967 8.4044 8.5776 8.6877 10.3671 10.3866 10.6244 10.6606 13.1566 13.2009 14.2548 14.4194 14.7653 14.8160 15.1010 15.1368 k = 0.4583 0.2646 0.3402 ( 2071 PWs) bands (ev): -30.6272 -30.6268 -11.7203 -11.7150 -10.3314 -10.3273 -10.2839 -10.2835 1.8026 1.8263 5.9081 5.9803 6.6506 6.6633 7.1047 7.1599 7.4275 7.5558 8.4090 8.4191 8.5737 8.6973 10.2977 10.3213 10.6003 10.6416 13.1869 13.2443 14.2342 14.3941 14.7705 14.8200 15.1488 15.1849 k = 0.4542 0.2622 0.3538 ( 2066 PWs) bands (ev): -30.6271 -30.6267 -11.7207 -11.7149 -10.3313 -10.3268 -10.2849 -10.2843 1.8029 1.8285 5.9236 6.0022 6.6514 6.6682 7.1029 7.1665 7.4260 7.5698 8.4221 8.4351 8.5700 8.7074 10.2258 10.2539 10.5747 10.6212 13.2106 13.2836 14.2197 14.3724 14.7758 14.8245 15.1983 15.2352 k = 0.4500 0.2598 0.3674 ( 2068 PWs) bands (ev): -30.6271 -30.6267 -11.7211 -11.7149 -10.3312 -10.3262 -10.2859 -10.2852 1.8035 1.8307 5.9408 6.0257 6.6520 6.6735 7.1011 7.1740 7.4245 7.5840 8.4360 8.4522 8.5667 8.7179 10.1522 10.1854 10.5477 10.5997 13.2265 13.3169 14.2117 14.3556 14.7814 14.8296 15.2489 15.2873 k = 0.4458 0.2574 0.3810 ( 2068 PWs) bands (ev): -30.6270 -30.6266 -11.7214 -11.7148 -10.3310 -10.3256 -10.2870 -10.2860 1.8041 1.8329 5.9596 6.0504 6.6522 6.6792 7.0993 7.1823 7.4227 7.5982 8.4503 8.4704 8.5641 8.7288 10.0774 10.1163 10.5196 10.5772 13.2338 13.3428 14.2105 14.3446 14.7873 14.8354 15.2999 15.3403 k = 0.4417 0.2550 0.3946 ( 2066 PWs) bands (ev): -30.6270 -30.6265 -11.7218 -11.7148 -10.3309 -10.3250 -10.2881 -10.2869 1.8047 1.8351 5.9798 6.0765 6.6522 6.6855 7.0976 7.1916 7.4207 7.6124 8.4646 8.4894 8.5626 8.7400 10.0021 10.0474 10.4906 10.5540 13.2324 13.3602 14.2157 14.3400 14.7937 14.8417 15.3505 15.3931 k = 0.4375 0.2526 0.4082 ( 2070 PWs) bands (ev): -30.6270 -30.6265 -11.7221 -11.7148 -10.3307 -10.3243 -10.2893 -10.2878 1.8055 1.8371 6.0013 6.1035 6.6519 6.6921 7.0959 7.2019 7.4184 7.6262 8.4778 8.5091 8.5631 8.7515 9.9268 9.9792 10.4609 10.5302 13.2227 13.3685 14.2267 14.3422 14.8006 14.8487 15.3994 15.4433 k = 0.4333 0.2502 0.4219 ( 2068 PWs) bands (ev): -30.6269 -30.6264 -11.7224 -11.7148 -10.3306 -10.3237 -10.2905 -10.2887 1.8063 1.8391 6.0239 6.1315 6.6514 6.6993 7.0945 7.2132 7.4157 7.6396 8.4886 8.5292 8.5671 8.7632 9.8518 9.9124 10.4308 10.5060 13.2058 13.3677 14.2423 14.3509 14.8082 14.8561 15.4446 15.4875 k = 0.4292 0.2478 0.4355 ( 2070 PWs) bands (ev): -30.6269 -30.6263 -11.7227 -11.7149 -10.3304 -10.3230 -10.2917 -10.2896 1.8071 1.8409 6.0474 6.1601 6.6509 6.7069 7.0933 7.2255 7.4126 7.6522 8.4955 8.5495 8.5759 8.7747 9.7777 9.8476 10.4004 10.4817 13.1828 13.3584 14.2614 14.3654 14.8165 14.8639 15.4831 15.5208 k = 0.4250 0.2454 0.4491 ( 2066 PWs) bands (ev): -30.6268 -30.6263 -11.7230 -11.7149 -10.3303 -10.3224 -10.2929 -10.2905 1.8079 1.8425 6.0715 6.1891 6.6503 6.7151 7.0925 7.2388 7.4090 7.6639 8.4983 8.5698 8.5898 8.7858 9.7048 9.7855 10.3701 10.4575 13.1549 13.3417 14.2830 14.3846 14.8255 14.8722 15.5107 15.5386 k = 0.4208 0.2430 0.4627 ( 2076 PWs) bands (ev): -30.6268 -30.6262 -11.7233 -11.7150 -10.3302 -10.3217 -10.2942 -10.2913 1.8087 1.8440 6.0959 6.2181 6.6499 6.7238 7.0921 7.2530 7.4050 7.6745 8.4979 8.5899 8.6080 8.7962 9.6337 9.7268 10.3401 10.4335 13.1234 13.3188 14.3060 14.4074 14.8352 14.8807 15.5224 15.5400 k = 0.4167 0.2406 0.4763 ( 2070 PWs) bands (ev): -30.6267 -30.6262 -11.7236 -11.7151 -10.3301 -10.3211 -10.2954 -10.2921 1.8094 1.8453 6.1203 6.2466 6.6497 6.7333 7.0924 7.2680 7.4005 7.6839 8.4953 8.6094 8.6291 8.8054 9.5647 9.6723 10.3107 10.4100 13.0894 13.2910 14.3300 14.4327 14.8455 14.8893 15.5169 15.5290 k = 0.4125 0.2382 0.4899 ( 2072 PWs) bands (ev): -30.6267 -30.6261 -11.7238 -11.7152 -10.3300 -10.3205 -10.2966 -10.2928 1.8101 1.8463 6.1441 6.2743 6.6501 6.7435 7.0934 7.2839 7.3956 7.6919 8.4916 8.6281 8.6524 8.8128 9.4982 9.6228 10.2820 10.3870 13.0537 13.2594 14.3543 14.4594 14.8565 14.8977 15.4981 15.5112 k = 0.4083 0.2358 0.5035 ( 2076 PWs) bands (ev): -30.6266 -30.6261 -11.7241 -11.7153 -10.3299 -10.3199 -10.2977 -10.2935 1.8106 1.8471 6.1671 6.3006 6.6512 6.7545 7.0954 7.3005 7.3903 7.6985 8.4871 8.6459 8.6772 8.8177 9.4348 9.5794 10.2545 10.3647 13.0171 13.2253 14.3786 14.4868 14.8678 14.9057 15.4689 15.4891 k = 0.4042 0.2333 0.5171 ( 2072 PWs) bands (ev): -30.6266 -30.6260 -11.7243 -11.7154 -10.3299 -10.3194 -10.2987 -10.2941 1.8110 1.8476 6.1885 6.3248 6.6533 6.7666 7.0986 7.3177 7.3846 7.7036 8.4823 8.6624 8.7030 8.8195 9.3750 9.5428 10.2282 10.3433 12.9803 13.1895 14.4029 14.5141 14.8791 14.9125 15.4141 15.4561 k = 0.4000 0.2309 0.5307 ( 2078 PWs) bands (ev): -30.6265 -30.6260 -11.7244 -11.7155 -10.3299 -10.3189 -10.2997 -10.2947 1.8112 1.8478 6.2080 6.3463 6.6566 6.7799 7.1031 7.3354 7.3788 7.7074 8.4773 8.6776 8.7293 8.8176 9.3193 9.5139 10.2034 10.3228 12.9438 13.1527 14.4270 14.5409 14.8898 14.9172 15.3453 15.4016 k = 0.3958 0.2285 0.5443 ( 2080 PWs) bands (ev): -30.6265 -30.6259 -11.7246 -11.7157 -10.3298 -10.3185 -10.3006 -10.2951 1.8111 1.8476 6.2249 6.3645 6.6612 6.7943 7.1093 7.3534 7.3728 7.7099 8.4724 8.6913 8.7553 8.8116 9.2686 9.4932 10.1804 10.3034 12.9080 13.1156 14.4510 14.5670 14.8987 14.9183 15.2779 15.3417 k = 0.3917 0.2261 0.5579 ( 2083 PWs) bands (ev): -30.6265 -30.6259 -11.7247 -11.7158 -10.3299 -10.3181 -10.3014 -10.2955 1.8108 1.8470 6.2388 6.3788 6.6674 6.8100 7.1173 7.3670 7.3716 7.7116 8.4675 8.7033 8.7803 8.8014 9.2240 9.4809 10.1592 10.2852 12.8733 13.0788 14.4751 14.5922 14.9036 14.9134 15.2166 15.2877 k = 0.3875 0.2237 0.5715 ( 2078 PWs) bands (ev): -30.6264 -30.6258 -11.7248 -11.7159 -10.3299 -10.3179 -10.3020 -10.2959 1.8102 1.8460 6.2493 6.3887 6.6752 6.8269 7.1274 7.3616 7.3897 7.7128 8.4629 8.7137 8.7874 8.8027 9.1869 9.4766 10.1402 10.2681 12.8400 13.0427 14.4993 14.6164 14.8993 14.9003 15.1662 15.2450 k = 0.3833 0.2213 0.5852 ( 2082 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7161 -10.3299 -10.3178 -10.3024 -10.2961 1.8091 1.8445 6.2560 6.3939 6.6844 6.8447 7.1396 7.3567 7.4075 7.7140 8.4586 8.7224 8.7703 8.8207 9.1593 9.4797 10.1233 10.2521 12.8083 13.0076 14.5239 14.6395 14.8737 14.8839 15.1324 15.2168 k = 0.3792 0.2189 0.5988 ( 2080 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7162 -10.3300 -10.3178 -10.3027 -10.2963 1.8077 1.8425 6.2589 6.3943 6.6950 6.8632 7.1540 7.3529 7.4246 7.7159 8.4545 8.7287 8.7516 8.8321 9.1435 9.4893 10.1087 10.2374 12.7784 12.9738 14.5489 14.6610 14.8369 14.8529 15.1181 15.2035 k = 0.3750 0.2165 0.6124 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.6250-0.0722 0.4082 ( 2085 PWs) bands (ev): -30.6264 -30.6258 -11.7249 -11.7163 -10.3300 -10.3179 -10.3028 -10.2964 1.8057 1.8398 6.2579 6.3898 6.7066 6.8822 7.1701 7.3505 7.4406 7.7191 8.4506 8.7242 8.7408 8.8356 9.1409 9.5044 10.0964 10.2239 12.7504 12.9414 14.5741 14.6785 14.7922 14.8137 15.1199 15.2028 k = 0.6181-0.0842 0.4082 ( 2083 PWs) bands (ev): -30.6263 -30.6258 -11.7249 -11.7165 -10.3300 -10.3183 -10.3028 -10.2965 1.8017 1.8346 6.2524 6.3776 6.7273 6.9139 7.1983 7.3495 7.4646 7.7275 8.4439 8.6942 8.7434 8.8302 9.1543 9.5348 10.0786 10.2028 12.7068 12.8898 14.6089 14.6702 14.7189 14.7773 15.1361 15.2132 k = 0.6111-0.0962 0.4082 ( 2079 PWs) bands (ev): -30.6263 -30.6258 -11.7248 -11.7168 -10.3301 -10.3187 -10.3027 -10.2965 1.7973 1.8288 6.2458 6.3640 6.7490 6.9451 7.2248 7.3526 7.4850 7.7397 8.4360 8.6629 8.7470 8.8177 9.1798 9.5676 10.0621 10.1826 12.6660 12.8402 14.5874 14.6010 14.7021 14.8019 15.1551 15.2267 k = 0.6042-0.1083 0.4082 ( 2075 PWs) bands (ev): -30.6263 -30.6257 -11.7247 -11.7170 -10.3301 -10.3192 -10.3024 -10.2965 1.7925 1.8226 6.2385 6.3495 6.7712 6.9755 7.2464 7.3628 7.5010 7.7558 8.4262 8.6316 8.7506 8.8010 9.2152 9.6023 10.0472 10.1633 12.6277 12.7926 14.5131 14.5185 14.7399 14.8419 15.1738 15.2411 k = 0.5972-0.1203 0.4082 ( 2075 PWs) bands (ev): -30.6262 -30.6257 -11.7246 -11.7172 -10.3301 -10.3197 -10.3021 -10.2965 1.7876 1.8161 6.2309 6.3347 6.7934 7.0046 7.2601 7.3823 7.5122 7.7760 8.4138 8.6005 8.7541 8.7828 9.2581 9.6385 10.0338 10.1449 12.5921 12.7470 14.4329 14.4360 14.7859 14.8846 15.1893 15.2551 k = 0.5903-0.1323 0.4082 ( 2085 PWs) bands (ev): -30.6262 -30.6258 -11.7245 -11.7175 -10.3302 -10.3204 -10.3017 -10.2965 1.7827 1.8094 6.2234 6.3198 6.8156 7.0321 7.2664 7.4104 7.5189 7.7995 8.3984 8.5699 8.7572 8.7656 9.3068 9.6758 10.0221 10.1274 12.5589 12.7034 14.3544 14.3563 14.8322 14.9260 15.1870 15.2585 k = 0.5833-0.1443 0.4082 ( 2085 PWs) bands (ev): -30.6262 -30.6258 -11.7243 -11.7177 -10.3302 -10.3210 -10.3013 -10.2964 1.7777 1.8028 6.2161 6.3052 6.8374 7.0577 7.2679 7.4443 7.5215 7.8255 8.3796 8.5399 8.7506 8.7601 9.3598 9.7133 10.0123 10.1108 12.5281 12.6616 14.2793 14.2806 14.8755 14.9602 15.1304 15.2471 k = 0.5764-0.1564 0.4082 ( 2083 PWs) bands (ev): -30.6262 -30.6258 -11.7241 -11.7180 -10.3301 -10.3217 -10.3008 -10.2963 1.7730 1.7962 6.2093 6.2909 6.8589 7.0811 7.2673 7.4812 7.5208 7.8528 8.3575 8.5106 8.7388 8.7625 9.4159 9.7504 10.0046 10.0953 12.4996 12.6218 14.2086 14.2094 14.9114 14.9617 15.0829 15.2583 k = 0.5694-0.1684 0.4082 ( 2079 PWs) bands (ev): -30.6261 -30.6258 -11.7239 -11.7183 -10.3301 -10.3224 -10.3003 -10.2962 1.7684 1.7897 6.2031 6.2772 6.8799 7.1016 7.2665 7.5172 7.5198 7.8806 8.3326 8.4820 8.7303 8.7644 9.4740 9.7859 9.9994 10.0807 12.4734 12.5839 14.1428 14.1432 14.9029 14.9307 15.0940 15.2177 k = 0.5625-0.1804 0.4082 ( 2080 PWs) bands (ev): -30.6261 -30.6258 -11.7237 -11.7186 -10.3301 -10.3231 -10.2998 -10.2962 1.7642 1.7835 6.1975 6.2642 6.9006 7.1183 7.2669 7.5113 7.5590 7.9077 8.3057 8.4542 8.7249 8.7658 9.5332 9.8184 9.9971 10.0673 12.4493 12.5481 14.0821 14.0823 14.8249 14.9177 15.1261 15.1775 k = 0.5556-0.1925 0.4082 ( 2072 PWs) bands (ev): -30.6261 -30.6258 -11.7235 -11.7188 -10.3300 -10.3238 -10.2993 -10.2961 1.7603 1.7777 6.1928 6.2520 6.9208 7.1300 7.2702 7.5034 7.5983 7.9331 8.2780 8.4273 8.7223 8.7665 9.5921 9.8464 9.9985 10.0551 12.4276 12.5144 14.0270 14.0271 14.7479 14.8684 15.1606 15.1756 k = 0.5486-0.2045 0.4082 ( 2072 PWs) bands (ev): -30.6261 -30.6258 -11.7233 -11.7191 -10.3299 -10.3245 -10.2988 -10.2960 1.7569 1.7722 6.1889 6.2407 6.9407 7.1359 7.2773 7.4937 7.6375 7.9554 8.2511 8.4012 8.7219 8.7666 9.6498 9.8687 10.0038 10.0443 12.4081 12.4830 13.9777 13.9778 14.6769 14.8009 15.1934 15.1950 k = 0.5417-0.2165 0.4082 ( 2072 PWs) bands (ev): -30.6260 -30.6258 -11.7230 -11.7194 -10.3297 -10.3251 -10.2984 -10.2960 1.7540 1.7672 6.1859 6.2303 6.9602 7.1361 7.2883 7.4826 7.6763 7.9729 8.2271 8.3759 8.7233 8.7660 9.7047 9.8845 10.0126 10.0351 12.3911 12.4543 13.9345 13.9345 14.6140 14.7301 15.2211 15.2227 k = 0.5347-0.2285 0.4082 ( 2072 PWs) bands (ev): -30.6260 -30.6258 -11.7227 -11.7197 -10.3296 -10.3257 -10.2979 -10.2960 1.7517 1.7627 6.1839 6.2208 6.9794 7.1314 7.3026 7.4700 7.7147 7.9829 8.2089 8.3513 8.7261 8.7647 9.7555 9.8948 10.0230 10.0278 12.3767 12.4284 13.8976 13.8976 14.5607 14.6630 15.2472 15.2477 k = 0.5278-0.2406 0.4082 ( 2068 PWs) bands (ev): -30.6260 -30.6258 -11.7225 -11.7200 -10.3294 -10.3263 -10.2976 -10.2960 1.7499 1.7587 6.1829 6.2124 6.9981 7.1230 7.3190 7.4562 7.7524 7.9829 8.1993 8.3275 8.7298 8.7626 9.8005 9.9010 10.0231 10.0327 12.3652 12.4058 13.8671 13.8672 14.5180 14.6031 15.2680 15.2700 k = 0.5208-0.2526 0.4082 ( 2068 PWs) bands (ev): -30.6260 -30.6258 -11.7222 -11.7204 -10.3291 -10.3268 -10.2972 -10.2960 1.7487 1.7554 6.1829 6.2050 7.0165 7.1119 7.3367 7.4412 7.7894 7.9719 8.1996 8.3044 8.7342 8.7599 9.8381 9.9043 10.0216 10.0394 12.3568 12.3868 13.8433 13.8433 14.4866 14.5523 15.2834 15.2876 k = 0.5139-0.2646 0.4082 ( 2072 PWs) bands (ev): -30.6259 -30.6259 -11.7219 -11.7207 -10.3289 -10.3273 -10.2969 -10.2961 1.7482 1.7526 6.1839 6.1987 7.0344 7.0988 7.3548 7.4253 7.8256 7.9516 8.2083 8.2820 8.7388 8.7565 9.8668 9.9052 10.0236 10.0419 12.3519 12.3716 13.8262 13.8262 14.4672 14.5118 15.2945 15.2990 k = 0.5069-0.2766 0.4082 ( 2068 PWs) bands (ev): -30.6259 -30.6259 -11.7216 -11.7210 -10.3285 -10.3277 -10.2966 -10.2963 1.7483 1.7505 6.1860 6.1934 7.0518 7.0841 7.3731 7.4085 7.8607 7.9249 8.2227 8.2607 8.7436 8.7526 9.8863 9.9034 10.0287 10.0402 12.3507 12.3605 13.8159 13.8159 14.4601 14.4826 15.3016 15.3044 k = 0.5000-0.2887 0.4082 ( 2068 PWs) bands (ev): -30.6259 -30.6259 -11.7213 -11.7213 -10.3282 -10.3282 -10.2964 -10.2964 1.7491 1.7491 6.1892 6.1892 7.0684 7.0684 7.3910 7.3910 7.8940 7.8940 8.2407 8.2407 8.7483 8.7483 9.8978 9.8978 10.0351 10.0351 12.3535 12.3535 13.8124 13.8124 14.4653 14.4653 15.3050 15.3050 Writing output data file YSbPt.save init_run : 1.13s CPU 0.65s WALL ( 1 calls) electrons : 207.51s CPU 129.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 207.50s CPU 129.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.29s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.22s WALL ( 327 calls) cegterg : 188.44s CPU 117.23s WALL ( 581 calls) Called by sum_band: Called by *egterg: h_psi : 101.82s CPU 63.02s WALL ( 9873 calls) s_psi : 6.53s CPU 3.68s WALL ( 9873 calls) g_psi : 0.18s CPU 0.11s WALL ( 8965 calls) cdiaghg : 80.29s CPU 50.45s WALL ( 9292 calls) cegterg:over : 5.85s CPU 3.32s WALL ( 8965 calls) cegterg:upda : 3.71s CPU 2.28s WALL ( 8965 calls) cegterg:last : 2.25s CPU 1.38s WALL ( 1535 calls) cdiaghg:chol : 4.01s CPU 2.60s WALL ( 9292 calls) cdiaghg:inve : 2.07s CPU 1.25s WALL ( 9292 calls) cdiaghg:para : 4.32s CPU 2.86s WALL ( 18584 calls) Called by h_psi: h_psi:vloc : 87.96s CPU 54.72s WALL ( 9873 calls) h_psi:vnl : 13.73s CPU 8.20s WALL ( 9873 calls) add_vuspsi : 8.58s CPU 5.00s WALL ( 9873 calls) General routines calbec : 5.10s CPU 3.17s WALL ( 9873 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 81.62s CPU 51.01s WALL ( 632424 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.23s CPU 0.32s WALL ( 654 calls) Parallel routines fft_scatter : 38.27s CPU 23.98s WALL ( 632447 calls) PWSCF : 3m38.47s CPU 2m30.24s WALL This run was terminated on: 4:42:26 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=