Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:36 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: ./Li2InAu.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 58 16 1863 1783 260 Max 61 59 17 1867 1797 264 Sum 2185 2107 583 67097 64431 9409 bravais-lattice index = 14 lattice parameter (alat) = 8.6401 a.u. unit-cell volume = 456.0827 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.640115 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Li 3.00 6.94100 Li( 1.00) Au 11.00 196.96660 Au( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030488 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030488 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030488 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030488 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030488 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030488 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030488 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030488 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030488 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030488 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030488 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030488 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030488 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030488 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030488 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030488 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030488 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030488 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030488 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030488 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030488 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030488 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030488 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030488 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030488 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030488 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030488 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030488 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030488 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030488 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030488 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030488 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030488 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030488 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030488 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030488 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030488 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030488 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030488 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030488 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030488 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030488 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030488 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030488 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030488 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030488 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030488 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030488 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030488 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030488 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030488 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030488 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030488 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030488 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030488 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030488 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030488 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030488 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030488 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030488 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030488 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030488 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030488 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030488 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030488 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030488 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030488 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030488 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030488 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030488 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030488 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030488 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030488 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030488 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030488 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030488 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030488 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030488 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030488 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030488 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030488 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030488 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030488 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030488 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030488 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030488 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030488 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030488 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030488 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030488 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030488 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030488 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030488 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030488 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030488 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030488 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030488 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030488 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030488 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030488 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030488 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030488 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030488 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030488 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030488 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030488 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030488 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030488 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030488 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030488 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030488 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030488 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030488 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030488 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030488 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030488 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030488 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030488 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030488 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030488 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030488 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030488 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030488 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030488 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030488 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030488 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030488 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030488 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0067134 0.0047471), wk = 0.0030488 k( 151) = ( 0.0232558 0.0134267 0.0094941), wk = 0.0030488 k( 152) = ( 0.0348837 0.0201401 0.0142412), wk = 0.0030488 k( 153) = ( 0.0465116 0.0268535 0.0189883), wk = 0.0030488 k( 154) = ( 0.0581395 0.0335669 0.0237354), wk = 0.0030488 k( 155) = ( 0.0697674 0.0402803 0.0284824), wk = 0.0030488 k( 156) = ( 0.0813954 0.0469936 0.0332295), wk = 0.0030488 k( 157) = ( 0.0930233 0.0537070 0.0379766), wk = 0.0030488 k( 158) = ( 0.1046512 0.0604204 0.0427237), wk = 0.0030488 k( 159) = ( 0.1162791 0.0671338 0.0474707), wk = 0.0030488 k( 160) = ( 0.1279070 0.0738471 0.0522178), wk = 0.0030488 k( 161) = ( 0.1395349 0.0805605 0.0569649), wk = 0.0030488 k( 162) = ( 0.1511628 0.0872739 0.0617120), wk = 0.0030488 k( 163) = ( 0.1627907 0.0939873 0.0664590), wk = 0.0030488 k( 164) = ( 0.1744186 0.1007006 0.0712061), wk = 0.0030488 k( 165) = ( 0.1860465 0.1074140 0.0759532), wk = 0.0030488 k( 166) = ( 0.1976744 0.1141274 0.0807002), wk = 0.0030488 k( 167) = ( 0.2093023 0.1208408 0.0854473), wk = 0.0030488 k( 168) = ( 0.2209302 0.1275541 0.0901944), wk = 0.0030488 k( 169) = ( 0.2325581 0.1342675 0.0949415), wk = 0.0030488 k( 170) = ( 0.2441860 0.1409809 0.0996885), wk = 0.0030488 k( 171) = ( 0.2558140 0.1476943 0.1044356), wk = 0.0030488 k( 172) = ( 0.2674419 0.1544076 0.1091827), wk = 0.0030488 k( 173) = ( 0.2790698 0.1611210 0.1139298), wk = 0.0030488 k( 174) = ( 0.2906977 0.1678344 0.1186768), wk = 0.0030488 k( 175) = ( 0.3023256 0.1745478 0.1234239), wk = 0.0030488 k( 176) = ( 0.3139535 0.1812611 0.1281710), wk = 0.0030488 k( 177) = ( 0.3255814 0.1879745 0.1329180), wk = 0.0030488 k( 178) = ( 0.3372093 0.1946879 0.1376651), wk = 0.0030488 k( 179) = ( 0.3488372 0.2014013 0.1424122), wk = 0.0030488 k( 180) = ( 0.3604651 0.2081146 0.1471593), wk = 0.0030488 k( 181) = ( 0.3720930 0.2148280 0.1519063), wk = 0.0030488 k( 182) = ( 0.3837209 0.2215414 0.1566534), wk = 0.0030488 k( 183) = ( 0.3953488 0.2282548 0.1614005), wk = 0.0030488 k( 184) = ( 0.4069767 0.2349681 0.1661476), wk = 0.0030488 k( 185) = ( 0.4186047 0.2416815 0.1708946), wk = 0.0030488 k( 186) = ( 0.4302326 0.2483949 0.1756417), wk = 0.0030488 k( 187) = ( 0.4418605 0.2551083 0.1803888), wk = 0.0030488 k( 188) = ( 0.4534884 0.2618216 0.1851359), wk = 0.0030488 k( 189) = ( 0.4651163 0.2685350 0.1898829), wk = 0.0030488 k( 190) = ( 0.4767442 0.2752484 0.1946300), wk = 0.0030488 k( 191) = ( 0.4883721 0.2819618 0.1993771), wk = 0.0030488 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 193) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 194) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030488 k( 195) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030488 k( 196) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030488 k( 197) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030488 k( 198) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030488 k( 199) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030488 k( 200) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030488 k( 201) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030488 k( 202) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030488 k( 203) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030488 k( 204) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030488 k( 205) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030488 k( 206) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030488 k( 207) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030488 k( 208) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030488 k( 209) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030488 k( 210) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030488 k( 211) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030488 k( 212) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030488 k( 213) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030488 k( 214) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030488 k( 215) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030488 k( 216) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030488 k( 217) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030488 k( 218) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030488 k( 219) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030488 k( 220) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030488 k( 221) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030488 k( 222) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030488 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 224) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 225) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030488 k( 226) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030488 k( 227) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030488 k( 228) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030488 k( 229) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030488 k( 230) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030488 k( 231) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030488 k( 232) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030488 k( 233) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030488 k( 234) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030488 k( 235) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030488 k( 236) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030488 k( 237) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030488 k( 238) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030488 k( 239) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030488 k( 240) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030488 k( 241) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030488 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 243) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030488 k( 244) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030488 k( 245) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030488 k( 246) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030488 k( 247) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030488 k( 248) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030488 k( 249) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030488 k( 250) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030488 k( 251) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030488 k( 252) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030488 k( 253) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030488 k( 254) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030488 k( 255) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030488 k( 256) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030488 k( 257) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030488 k( 258) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030488 k( 259) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030488 k( 260) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030488 k( 261) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030488 k( 262) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030488 k( 263) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030488 k( 264) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030488 k( 265) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030488 k( 266) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030488 k( 267) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030488 k( 268) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030488 k( 269) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030488 k( 270) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030488 k( 271) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030488 k( 272) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030488 k( 273) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030488 k( 274) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030488 k( 275) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030488 k( 276) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030488 k( 277) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030488 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 279) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030488 k( 280) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030488 k( 281) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030488 k( 282) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030488 k( 283) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030488 k( 284) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030488 k( 285) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030488 k( 286) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030488 k( 287) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030488 k( 288) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030488 k( 289) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030488 k( 290) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030488 k( 291) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030488 k( 292) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030488 k( 293) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030488 k( 294) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030488 k( 295) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030488 k( 296) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030488 k( 297) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030488 k( 298) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030488 k( 299) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030488 k( 300) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030488 k( 301) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030488 k( 302) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030488 k( 303) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030488 k( 304) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030488 k( 305) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030488 k( 306) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030488 k( 307) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030488 k( 308) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030488 k( 309) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030488 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030488 k( 311) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030488 k( 312) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030488 k( 313) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030488 k( 314) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030488 k( 315) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030488 k( 316) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030488 k( 317) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030488 k( 318) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030488 k( 319) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030488 k( 320) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030488 k( 321) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030488 k( 322) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030488 k( 323) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030488 k( 324) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030488 k( 325) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030488 k( 326) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030488 k( 327) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030488 k( 328) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030488 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030488 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030488 k( 5) = ( 0.0408163 -0.0000000 0.0408163), wk = 0.0030488 k( 6) = ( 0.0510204 0.0000000 0.0510204), wk = 0.0030488 k( 7) = ( 0.0612245 -0.0000000 0.0612245), wk = 0.0030488 k( 8) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0030488 k( 9) = ( 0.0816327 -0.0000000 0.0816326), wk = 0.0030488 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030488 k( 11) = ( 0.1020408 0.0000000 0.1020408), wk = 0.0030488 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030488 k( 13) = ( 0.1224490 -0.0000000 0.1224490), wk = 0.0030488 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030488 k( 15) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0030488 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030488 k( 17) = ( 0.1632653 -0.0000000 0.1632653), wk = 0.0030488 k( 18) = ( 0.1734694 -0.0000000 0.1734694), wk = 0.0030488 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030488 k( 20) = ( 0.1938776 -0.0000000 0.1938775), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 -0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 -0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 -0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 -0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 -0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 -0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 -0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 -0.0000000 0.4183673), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 -0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 -0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 -0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 -0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030488 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030488 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030488 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030488 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030488 k( 105) = ( 0.3100962 0.3100962 0.6201923), wk = 0.0030488 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030488 k( 107) = ( 0.2956731 0.2956731 0.5913461), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030488 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030488 k( 120) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0030488 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030488 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030488 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030488 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030488 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030488 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030488 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030488 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030488 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030488 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030488 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030488 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030488 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030488 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030488 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030488 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030488 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030488 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030488 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186046), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 67097 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 64431 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 464, 38) NL pseudopotentials 0.34 Mb ( 232, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1864) G-vector shells 0.00 Mb ( 486) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.08 Mb ( 464, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./Li2InAu.save/charge-density.dat Starting wfc are 56 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 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 total cpu time spent up to now is 12.2 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.1 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.5 secs Computing kpt #: 16 total cpu time spent up to now is 17.3 secs Computing kpt #: 17 total cpu time spent up to now is 18.1 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.5 secs Computing kpt #: 21 total cpu time spent up to now is 21.2 secs Computing kpt #: 22 total cpu time spent up to now is 22.0 secs Computing kpt #: 23 total cpu time spent up to now is 22.7 secs Computing kpt #: 24 total cpu time spent up to now is 23.5 secs Computing kpt #: 25 total cpu time spent up to now is 24.2 secs Computing kpt #: 26 total cpu time spent up to now is 25.0 secs Computing kpt #: 27 total cpu time spent up to now is 25.6 secs Computing kpt #: 28 total cpu time spent up to now is 26.4 secs Computing kpt #: 29 total cpu time spent up to now is 27.2 secs Computing kpt #: 30 total cpu time spent up to now is 27.9 secs Computing kpt #: 31 total cpu time spent up to now is 28.7 secs Computing kpt #: 32 total cpu time spent up to now is 29.4 secs Computing kpt #: 33 total cpu time spent up to now is 30.2 secs Computing kpt #: 34 total cpu time spent up to now is 30.8 secs Computing kpt #: 35 total cpu time spent up to now is 31.5 secs Computing kpt #: 36 total cpu time spent up to now is 32.2 secs Computing kpt #: 37 total cpu time spent up to now is 32.8 secs Computing kpt #: 38 total cpu time spent up to now is 33.5 secs Computing kpt #: 39 total cpu time spent up to now is 34.2 secs Computing kpt #: 40 total cpu time spent up to now is 34.8 secs Computing kpt #: 41 total cpu time spent up to now is 35.4 secs Computing kpt #: 42 total cpu time spent up to now is 36.1 secs Computing kpt #: 43 total cpu time spent up to now is 36.7 secs Computing kpt #: 44 total cpu time spent up to now is 37.4 secs Computing kpt #: 45 total cpu time spent up to now is 38.1 secs Computing kpt #: 46 total cpu time spent up to now is 38.8 secs Computing kpt #: 47 total cpu time spent up to now is 39.6 secs Computing kpt #: 48 total cpu time spent up to now is 40.3 secs Computing kpt #: 49 total cpu time spent up to now is 41.1 secs Computing kpt #: 50 total cpu time spent up to now is 41.9 secs Computing kpt #: 51 total cpu time spent up to now is 42.6 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.2 secs Computing kpt #: 53 total cpu time spent up to now is 45.5 secs Computing kpt #: 54 total cpu time spent up to now is 46.5 secs Computing kpt #: 55 total cpu time spent up to now is 47.3 secs Computing kpt #: 56 total cpu time spent up to now is 48.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.9 secs Computing kpt #: 58 total cpu time spent up to now is 49.6 secs Computing kpt #: 59 total cpu time spent up to now is 50.2 secs Computing kpt #: 60 total cpu time spent up to now is 50.8 secs Computing kpt #: 61 total cpu time spent up to now is 51.5 secs Computing kpt #: 62 total cpu time spent up to now is 52.1 secs Computing kpt #: 63 total cpu time spent up to now is 52.7 secs Computing kpt #: 64 total cpu time spent up to now is 53.4 secs Computing kpt #: 65 total cpu time spent up to now is 54.0 secs Computing kpt #: 66 total cpu time spent up to now is 54.7 secs Computing kpt #: 67 total cpu time spent up to now is 55.3 secs Computing kpt #: 68 total cpu time spent up to now is 56.0 secs Computing kpt #: 69 total cpu time spent up to now is 56.7 secs Computing kpt #: 70 total cpu time spent up to now is 57.4 secs Computing kpt #: 71 total cpu time spent up to now is 58.1 secs Computing kpt #: 72 total cpu time spent up to now is 58.9 secs Computing kpt #: 73 total cpu time spent up to now is 59.5 secs Computing kpt #: 74 total cpu time spent up to now is 60.2 secs Computing kpt #: 75 total cpu time spent up to now is 61.0 secs Computing kpt #: 76 total cpu time spent up to now is 61.6 secs Computing kpt #: 77 total cpu time spent up to now is 62.3 secs Computing kpt #: 78 total cpu time spent up to now is 63.1 secs Computing kpt #: 79 total cpu time spent up to now is 63.9 secs Computing kpt #: 80 total cpu time spent up to now is 64.7 secs Computing kpt #: 81 total cpu time spent up to now is 65.4 secs Computing kpt #: 82 total cpu time spent up to now is 66.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.0 secs Computing kpt #: 84 total cpu time spent up to now is 67.8 secs Computing kpt #: 85 total cpu time spent up to now is 68.5 secs Computing kpt #: 86 total cpu time spent up to now is 69.3 secs Computing kpt #: 87 total cpu time spent up to now is 70.1 secs Computing kpt #: 88 total cpu time spent up to now is 70.8 secs Computing kpt #: 89 total cpu time spent up to now is 71.6 secs Computing kpt #: 90 total cpu time spent up to now is 72.4 secs Computing kpt #: 91 total cpu time spent up to now is 73.1 secs Computing kpt #: 92 total cpu time spent up to now is 73.9 secs Computing kpt #: 93 total cpu time spent up to now is 74.7 secs Computing kpt #: 94 total cpu time spent up to now is 75.6 secs Computing kpt #: 95 total cpu time spent up to now is 76.5 secs Computing kpt #: 96 total cpu time spent up to now is 77.4 secs Computing kpt #: 97 total cpu time spent up to now is 78.2 secs Computing kpt #: 98 total cpu time spent up to now is 79.0 secs Computing kpt #: 99 total cpu time spent up to now is 79.8 secs Computing kpt #: 100 total cpu time spent up to now is 80.7 secs Computing kpt #: 101 total cpu time spent up to now is 81.5 secs Computing kpt #: 102 total cpu time spent up to now is 82.4 secs Computing kpt #: 103 total cpu time spent up to now is 83.2 secs Computing kpt #: 104 total cpu time spent up to now is 84.1 secs Computing kpt #: 105 total cpu time spent up to now is 84.9 secs Computing kpt #: 106 total cpu time spent up to now is 85.8 secs Computing kpt #: 107 total cpu time spent up to now is 86.6 secs Computing kpt #: 108 total cpu time spent up to now is 87.3 secs Computing kpt #: 109 total cpu time spent up to now is 88.2 secs Computing kpt #: 110 total cpu time spent up to now is 89.0 secs Computing kpt #: 111 total cpu time spent up to now is 89.9 secs Computing kpt #: 112 total cpu time spent up to now is 90.8 secs Computing kpt #: 113 total cpu time spent up to now is 91.6 secs Computing kpt #: 114 total cpu time spent up to now is 92.4 secs Computing kpt #: 115 total cpu time spent up to now is 93.2 secs Computing kpt #: 116 total cpu time spent up to now is 94.1 secs Computing kpt #: 117 total cpu time spent up to now is 95.2 secs Computing kpt #: 118 total cpu time spent up to now is 96.1 secs Computing kpt #: 119 total cpu time spent up to now is 96.9 secs Computing kpt #: 120 total cpu time spent up to now is 97.8 secs Computing kpt #: 121 total cpu time spent up to now is 98.6 secs Computing kpt #: 122 total cpu time spent up to now is 99.4 secs Computing kpt #: 123 total cpu time spent up to now is 100.2 secs Computing kpt #: 124 total cpu time spent up to now is 101.0 secs Computing kpt #: 125 total cpu time spent up to now is 101.9 secs Computing kpt #: 126 total cpu time spent up to now is 102.8 secs Computing kpt #: 127 total cpu time spent up to now is 103.5 secs Computing kpt #: 128 total cpu time spent up to now is 104.3 secs Computing kpt #: 129 total cpu time spent up to now is 105.2 secs Computing kpt #: 130 total cpu time spent up to now is 105.9 secs Computing kpt #: 131 total cpu time spent up to now is 106.8 secs Computing kpt #: 132 total cpu time spent up to now is 107.8 secs Computing kpt #: 133 total cpu time spent up to now is 108.8 secs Computing kpt #: 134 total cpu time spent up to now is 109.8 secs Computing kpt #: 135 total cpu time spent up to now is 111.1 secs Computing kpt #: 136 total cpu time spent up to now is 112.0 secs Computing kpt #: 137 total cpu time spent up to now is 112.8 secs Computing kpt #: 138 total cpu time spent up to now is 113.7 secs Computing kpt #: 139 total cpu time spent up to now is 114.5 secs Computing kpt #: 140 total cpu time spent up to now is 115.3 secs Computing kpt #: 141 total cpu time spent up to now is 116.1 secs Computing kpt #: 142 total cpu time spent up to now is 116.9 secs Computing kpt #: 143 total cpu time spent up to now is 117.8 secs Computing kpt #: 144 total cpu time spent up to now is 118.6 secs Computing kpt #: 145 total cpu time spent up to now is 119.5 secs Computing kpt #: 146 total cpu time spent up to now is 120.4 secs Computing kpt #: 147 total cpu time spent up to now is 121.4 secs Computing kpt #: 148 total cpu time spent up to now is 122.2 secs Computing kpt #: 149 total cpu time spent up to now is 123.0 secs Computing kpt #: 150 total cpu time spent up to now is 123.9 secs Computing kpt #: 151 total cpu time spent up to now is 124.8 secs Computing kpt #: 152 total cpu time spent up to now is 125.6 secs Computing kpt #: 153 total cpu time spent up to now is 126.4 secs Computing kpt #: 154 total cpu time spent up to now is 127.2 secs Computing kpt #: 155 total cpu time spent up to now is 128.0 secs Computing kpt #: 156 total cpu time spent up to now is 128.7 secs Computing kpt #: 157 total cpu time spent up to now is 129.5 secs Computing kpt #: 158 total cpu time spent up to now is 130.3 secs Computing kpt #: 159 total cpu time spent up to now is 131.1 secs Computing kpt #: 160 total cpu time spent up to now is 131.9 secs Computing kpt #: 161 total cpu time spent up to now is 132.7 secs Computing kpt #: 162 total cpu time spent up to now is 133.4 secs Computing kpt #: 163 total cpu time spent up to now is 134.1 secs Computing kpt #: 164 total cpu time spent up to now is 134.8 secs Computing kpt #: 165 total cpu time spent up to now is 135.5 secs Computing kpt #: 166 total cpu time spent up to now is 136.2 secs Computing kpt #: 167 total cpu time spent up to now is 136.9 secs Computing kpt #: 168 total cpu time spent up to now is 137.6 secs Computing kpt #: 169 total cpu time spent up to now is 138.3 secs Computing kpt #: 170 total cpu time spent up to now is 139.0 secs Computing kpt #: 171 total cpu time spent up to now is 139.7 secs Computing kpt #: 172 total cpu time spent up to now is 140.4 secs Computing kpt #: 173 total cpu time spent up to now is 141.1 secs Computing kpt #: 174 total cpu time spent up to now is 141.8 secs Computing kpt #: 175 total cpu time spent up to now is 142.5 secs Computing kpt #: 176 total cpu time spent up to now is 143.2 secs Computing kpt #: 177 total cpu time spent up to now is 143.9 secs Computing kpt #: 178 total cpu time spent up to now is 144.5 secs Computing kpt #: 179 total cpu time spent up to now is 145.1 secs Computing kpt #: 180 total cpu time spent up to now is 145.7 secs Computing kpt #: 181 total cpu time spent up to now is 146.3 secs Computing kpt #: 182 total cpu time spent up to now is 146.9 secs Computing kpt #: 183 total cpu time spent up to now is 147.4 secs Computing kpt #: 184 total cpu time spent up to now is 148.0 secs Computing kpt #: 185 total cpu time spent up to now is 148.6 secs Computing kpt #: 186 total cpu time spent up to now is 149.2 secs Computing kpt #: 187 total cpu time spent up to now is 149.7 secs Computing kpt #: 188 total cpu time spent up to now is 150.3 secs Computing kpt #: 189 total cpu time spent up to now is 150.9 secs Computing kpt #: 190 total cpu time spent up to now is 151.4 secs Computing kpt #: 191 total cpu time spent up to now is 152.0 secs Computing kpt #: 192 total cpu time spent up to now is 152.6 secs Computing kpt #: 193 total cpu time spent up to now is 153.1 secs Computing kpt #: 194 total cpu time spent up to now is 153.7 secs Computing kpt #: 195 total cpu time spent up to now is 154.3 secs Computing kpt #: 196 total cpu time spent up to now is 154.9 secs Computing kpt #: 197 total cpu time spent up to now is 155.5 secs Computing kpt #: 198 total cpu time spent up to now is 156.1 secs Computing kpt #: 199 total cpu time spent up to now is 156.7 secs Computing kpt #: 200 total cpu time spent up to now is 157.3 secs Computing kpt #: 201 total cpu time spent up to now is 157.9 secs Computing kpt #: 202 total cpu time spent up to now is 158.5 secs Computing kpt #: 203 total cpu time spent up to now is 159.0 secs Computing kpt #: 204 total cpu time spent up to now is 159.6 secs Computing kpt #: 205 total cpu time spent up to now is 160.1 secs Computing kpt #: 206 total cpu time spent up to now is 160.7 secs Computing kpt #: 207 total cpu time spent up to now is 161.3 secs Computing kpt #: 208 total cpu time spent up to now is 161.9 secs Computing kpt #: 209 total cpu time spent up to now is 162.5 secs Computing kpt #: 210 total cpu time spent up to now is 163.1 secs Computing kpt #: 211 total cpu time spent up to now is 163.8 secs Computing kpt #: 212 total cpu time spent up to now is 164.4 secs Computing kpt #: 213 total cpu time spent up to now is 165.1 secs Computing kpt #: 214 total cpu time spent up to now is 165.8 secs Computing kpt #: 215 total cpu time spent up to now is 166.5 secs Computing kpt #: 216 total cpu time spent up to now is 167.3 secs Computing kpt #: 217 total cpu time spent up to now is 168.0 secs Computing kpt #: 218 total cpu time spent up to now is 168.8 secs Computing kpt #: 219 total cpu time spent up to now is 169.5 secs Computing kpt #: 220 total cpu time spent up to now is 170.3 secs Computing kpt #: 221 total cpu time spent up to now is 171.1 secs Computing kpt #: 222 total cpu time spent up to now is 172.0 secs Computing kpt #: 223 total cpu time spent up to now is 172.8 secs Computing kpt #: 224 total cpu time spent up to now is 173.6 secs Computing kpt #: 225 total cpu time spent up to now is 174.5 secs Computing kpt #: 226 total cpu time spent up to now is 175.4 secs Computing kpt #: 227 total cpu time spent up to now is 176.1 secs Computing kpt #: 228 total cpu time spent up to now is 176.9 secs Computing kpt #: 229 total cpu time spent up to now is 177.6 secs Computing kpt #: 230 total cpu time spent up to now is 178.4 secs Computing kpt #: 231 total cpu time spent up to now is 179.1 secs Computing kpt #: 232 total cpu time spent up to now is 180.0 secs Computing kpt #: 233 total cpu time spent up to now is 180.8 secs Computing kpt #: 234 total cpu time spent up to now is 181.5 secs Computing kpt #: 235 total cpu time spent up to now is 182.3 secs Computing kpt #: 236 total cpu time spent up to now is 183.1 secs Computing kpt #: 237 total cpu time spent up to now is 183.9 secs Computing kpt #: 238 total cpu time spent up to now is 184.6 secs Computing kpt #: 239 total cpu time spent up to now is 185.4 secs Computing kpt #: 240 total cpu time spent up to now is 186.2 secs Computing kpt #: 241 total cpu time spent up to now is 186.9 secs Computing kpt #: 242 total cpu time spent up to now is 187.8 secs Computing kpt #: 243 total cpu time spent up to now is 188.5 secs Computing kpt #: 244 total cpu time spent up to now is 189.3 secs Computing kpt #: 245 total cpu time spent up to now is 190.1 secs Computing kpt #: 246 total cpu time spent up to now is 190.9 secs Computing kpt #: 247 total cpu time spent up to now is 191.7 secs Computing kpt #: 248 total cpu time spent up to now is 192.4 secs Computing kpt #: 249 total cpu time spent up to now is 193.1 secs Computing kpt #: 250 total cpu time spent up to now is 193.8 secs Computing kpt #: 251 total cpu time spent up to now is 194.5 secs Computing kpt #: 252 total cpu time spent up to now is 195.2 secs Computing kpt #: 253 total cpu time spent up to now is 195.8 secs Computing kpt #: 254 total cpu time spent up to now is 196.5 secs Computing kpt #: 255 total cpu time spent up to now is 197.2 secs Computing kpt #: 256 total cpu time spent up to now is 197.9 secs Computing kpt #: 257 total cpu time spent up to now is 198.7 secs Computing kpt #: 258 total cpu time spent up to now is 199.4 secs Computing kpt #: 259 total cpu time spent up to now is 200.2 secs Computing kpt #: 260 total cpu time spent up to now is 201.1 secs Computing kpt #: 261 total cpu time spent up to now is 201.7 secs Computing kpt #: 262 total cpu time spent up to now is 202.5 secs Computing kpt #: 263 total cpu time spent up to now is 203.2 secs Computing kpt #: 264 total cpu time spent up to now is 203.9 secs Computing kpt #: 265 total cpu time spent up to now is 204.4 secs Computing kpt #: 266 total cpu time spent up to now is 205.0 secs Computing kpt #: 267 total cpu time spent up to now is 205.5 secs Computing kpt #: 268 total cpu time spent up to now is 206.1 secs Computing kpt #: 269 total cpu time spent up to now is 206.7 secs Computing kpt #: 270 total cpu time spent up to now is 207.2 secs Computing kpt #: 271 total cpu time spent up to now is 207.8 secs Computing kpt #: 272 total cpu time spent up to now is 208.4 secs Computing kpt #: 273 total cpu time spent up to now is 209.0 secs Computing kpt #: 274 total cpu time spent up to now is 209.6 secs Computing kpt #: 275 total cpu time spent up to now is 210.1 secs Computing kpt #: 276 total cpu time spent up to now is 210.7 secs Computing kpt #: 277 total cpu time spent up to now is 211.3 secs Computing kpt #: 278 total cpu time spent up to now is 211.9 secs Computing kpt #: 279 total cpu time spent up to now is 212.5 secs Computing kpt #: 280 total cpu time spent up to now is 213.2 secs Computing kpt #: 281 total cpu time spent up to now is 213.7 secs Computing kpt #: 282 total cpu time spent up to now is 214.3 secs Computing kpt #: 283 total cpu time spent up to now is 214.8 secs Computing kpt #: 284 total cpu time spent up to now is 215.4 secs Computing kpt #: 285 total cpu time spent up to now is 216.0 secs Computing kpt #: 286 total cpu time spent up to now is 216.6 secs Computing kpt #: 287 total cpu time spent up to now is 217.2 secs Computing kpt #: 288 total cpu time spent up to now is 217.9 secs Computing kpt #: 289 total cpu time spent up to now is 218.5 secs Computing kpt #: 290 total cpu time spent up to now is 219.1 secs Computing kpt #: 291 total cpu time spent up to now is 219.7 secs Computing kpt #: 292 total cpu time spent up to now is 220.3 secs Computing kpt #: 293 total cpu time spent up to now is 220.9 secs Computing kpt #: 294 total cpu time spent up to now is 221.4 secs Computing kpt #: 295 total cpu time spent up to now is 222.1 secs Computing kpt #: 296 total cpu time spent up to now is 222.8 secs Computing kpt #: 297 total cpu time spent up to now is 223.4 secs Computing kpt #: 298 total cpu time spent up to now is 224.1 secs Computing kpt #: 299 total cpu time spent up to now is 224.8 secs Computing kpt #: 300 total cpu time spent up to now is 225.6 secs Computing kpt #: 301 total cpu time spent up to now is 226.3 secs Computing kpt #: 302 total cpu time spent up to now is 227.1 secs Computing kpt #: 303 total cpu time spent up to now is 227.8 secs Computing kpt #: 304 total cpu time spent up to now is 228.6 secs Computing kpt #: 305 total cpu time spent up to now is 229.4 secs Computing kpt #: 306 total cpu time spent up to now is 230.1 secs Computing kpt #: 307 total cpu time spent up to now is 230.9 secs Computing kpt #: 308 total cpu time spent up to now is 231.7 secs Computing kpt #: 309 total cpu time spent up to now is 232.7 secs Computing kpt #: 310 total cpu time spent up to now is 233.5 secs Computing kpt #: 311 total cpu time spent up to now is 234.3 secs Computing kpt #: 312 total cpu time spent up to now is 235.1 secs Computing kpt #: 313 total cpu time spent up to now is 236.0 secs Computing kpt #: 314 total cpu time spent up to now is 236.9 secs Computing kpt #: 315 total cpu time spent up to now is 237.9 secs Computing kpt #: 316 total cpu time spent up to now is 238.8 secs Computing kpt #: 317 total cpu time spent up to now is 239.7 secs Computing kpt #: 318 total cpu time spent up to now is 240.7 secs Computing kpt #: 319 total cpu time spent up to now is 241.6 secs Computing kpt #: 320 total cpu time spent up to now is 242.6 secs Computing kpt #: 321 total cpu time spent up to now is 243.5 secs Computing kpt #: 322 total cpu time spent up to now is 244.4 secs Computing kpt #: 323 total cpu time spent up to now is 245.3 secs Computing kpt #: 324 total cpu time spent up to now is 246.3 secs Computing kpt #: 325 total cpu time spent up to now is 247.4 secs Computing kpt #: 326 total cpu time spent up to now is 248.8 secs Computing kpt #: 327 total cpu time spent up to now is 250.2 secs Computing kpt #: 328 total cpu time spent up to now is 250.9 secs ethr = 3.33E-08, avg # of iterations = 30.4 total cpu time spent up to now is 250.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8564 -5.8564 -5.8564 -5.8564 -5.0439 -5.0439 -4.9978 -4.9978 -4.9978 -4.9978 0.6191 0.6191 3.4217 3.4217 3.4217 3.4217 4.5432 4.5432 5.0359 5.0359 5.0359 5.0359 11.9235 11.9235 12.5892 12.5892 12.5892 12.5892 12.6886 12.6886 12.8532 12.8532 13.0489 13.0489 k = 0.0102-0.0059 0.0083 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8566 -5.8566 -5.8562 -5.8562 -5.0439 -5.0439 -4.9981 -4.9981 -4.9975 -4.9975 0.6204 0.6204 3.4200 3.4200 3.4237 3.4237 4.5433 4.5433 5.0333 5.0333 5.0383 5.0383 11.9034 11.9034 12.5211 12.5211 12.5705 12.5705 12.7021 12.7021 12.8461 12.8461 13.0832 13.0832 k = 0.0204-0.0118 0.0167 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8568 -5.8568 -5.8559 -5.8559 -5.0438 -5.0438 -4.9984 -4.9984 -4.9972 -4.9972 0.6243 0.6243 3.4184 3.4184 3.4259 3.4259 4.5438 4.5438 5.0304 5.0304 5.0404 5.0404 11.8460 11.8460 12.4061 12.4061 12.5226 12.5226 12.6334 12.6334 12.9193 12.9193 13.1680 13.1680 k = 0.0306-0.0177 0.0250 ( 7987 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8570 -5.8570 -5.8557 -5.8557 -5.0438 -5.0438 -4.9987 -4.9987 -4.9968 -4.9968 0.6308 0.6308 3.4170 3.4170 3.4284 3.4284 4.5445 4.5445 5.0272 5.0272 5.0423 5.0423 11.7594 11.7594 12.2780 12.2780 12.4390 12.4390 12.5611 12.5611 13.0269 13.0269 13.2771 13.2771 k = 0.0408-0.0236 0.0333 ( 7979 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8572 -5.8572 -5.8555 -5.8555 -5.0437 -5.0437 -4.9989 -4.9989 -4.9965 -4.9965 0.6399 0.6399 3.4157 3.4157 3.4311 3.4311 4.5456 4.5456 5.0237 5.0237 5.0440 5.0440 11.6522 11.6522 12.1429 12.1429 12.3201 12.3201 12.5186 12.5186 13.1418 13.1418 13.3961 13.3961 k = 0.0510-0.0295 0.0417 ( 7967 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8573 -5.8573 -5.8552 -5.8552 -5.0436 -5.0436 -4.9992 -4.9992 -4.9961 -4.9961 0.6516 0.6516 3.4146 3.4146 3.4340 3.4340 4.5470 4.5470 5.0199 5.0199 5.0457 5.0457 11.5316 11.5316 12.0040 12.0040 12.1867 12.1867 12.4896 12.4896 13.2573 13.2573 13.5185 13.5185 k = 0.0612-0.0353 0.0500 ( 7967 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8575 -5.8575 -5.8550 -5.8550 -5.0434 -5.0434 -4.9994 -4.9994 -4.9957 -4.9957 0.6659 0.6659 3.4136 3.4136 3.4372 3.4372 4.5486 4.5486 5.0157 5.0157 5.0472 5.0472 11.4024 11.4024 11.8629 11.8629 12.0471 12.0471 12.4655 12.4655 13.3700 13.3700 13.6410 13.6410 k = 0.0714-0.0412 0.0583 ( 7967 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8576 -5.8576 -5.8547 -5.8547 -5.0433 -5.0433 -4.9996 -4.9996 -4.9953 -4.9953 0.6828 0.6828 3.4127 3.4127 3.4408 3.4408 4.5506 4.5506 5.0113 5.0113 5.0487 5.0487 11.2678 11.2678 11.7208 11.7208 11.9034 11.9034 12.4435 12.4435 13.4773 13.4773 13.7614 13.7614 k = 0.0816-0.0471 0.0667 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8578 -5.8578 -5.8544 -5.8544 -5.0431 -5.0431 -4.9998 -4.9998 -4.9950 -4.9950 0.7022 0.7022 3.4119 3.4119 3.4446 3.4446 4.5529 4.5529 5.0066 5.0066 5.0502 5.0502 11.1299 11.1299 11.5783 11.5783 11.7567 11.7567 12.4223 12.4223 13.5767 13.5767 13.8779 13.8779 k = 0.0918-0.0530 0.0750 ( 7995 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8579 -5.8579 -5.8542 -5.8542 -5.0429 -5.0429 -5.0000 -5.0000 -4.9946 -4.9946 0.7242 0.7242 3.4112 3.4112 3.4487 3.4487 4.5554 4.5554 5.0016 5.0016 5.0516 5.0516 10.9899 10.9899 11.4360 11.4360 11.6071 11.6071 12.4012 12.4012 13.6634 13.6634 13.9886 13.9886 k = 0.1020-0.0589 0.0833 ( 7995 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8580 -5.8580 -5.8539 -5.8539 -5.0427 -5.0427 -5.0001 -5.0001 -4.9942 -4.9942 0.7487 0.7487 3.4105 3.4105 3.4532 3.4532 4.5583 4.5583 4.9965 4.9965 5.0531 5.0531 10.8487 10.8487 11.2943 11.2943 11.4550 11.4550 12.3800 12.3800 13.7247 13.7247 13.9756 13.9756 k = 0.1122-0.0648 0.0916 ( 8011 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8581 -5.8581 -5.8536 -5.8536 -5.0425 -5.0425 -5.0002 -5.0002 -4.9938 -4.9938 0.7757 0.7757 3.4099 3.4099 3.4580 3.4580 4.5614 4.5614 4.9913 4.9913 5.0547 5.0547 10.7067 10.7067 11.1535 11.1535 11.3007 11.3007 12.3586 12.3586 13.7319 13.7319 13.9818 13.9818 k = 0.1224-0.0707 0.1000 ( 8023 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8582 -5.8582 -5.8534 -5.8534 -5.0423 -5.0423 -5.0003 -5.0003 -4.9934 -4.9934 0.8053 0.8053 3.4094 3.4094 3.4631 3.4631 4.5648 4.5648 4.9860 4.9860 5.0563 5.0563 10.5645 10.5645 11.0138 11.0138 11.1443 11.1443 12.3370 12.3370 13.6839 13.6839 14.0332 14.0332 k = 0.1327-0.0766 0.1083 ( 8024 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8583 -5.8583 -5.8531 -5.8531 -5.0420 -5.0420 -5.0004 -5.0004 -4.9929 -4.9929 0.8373 0.8373 3.4088 3.4088 3.4687 3.4687 4.5684 4.5684 4.9808 4.9808 5.0581 5.0581 10.4220 10.4220 10.8753 10.8753 10.9864 10.9864 12.3154 12.3154 13.6125 13.6125 14.1043 14.1043 k = 0.1429-0.0825 0.1166 ( 8020 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8583 -5.8583 -5.8528 -5.8528 -5.0418 -5.0418 -5.0004 -5.0004 -4.9925 -4.9925 0.8718 0.8718 3.4083 3.4083 3.4745 3.4745 4.5722 4.5722 4.9756 4.9756 5.0600 5.0600 10.2794 10.2794 10.7384 10.7384 10.8274 10.8274 12.2937 12.2937 13.5340 13.5340 14.1819 14.1819 k = 0.1531-0.0884 0.1250 ( 8020 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8584 -5.8584 -5.8525 -5.8525 -5.0415 -5.0415 -5.0005 -5.0005 -4.9921 -4.9921 0.9087 0.9087 3.4077 3.4077 3.4808 3.4808 4.5762 4.5762 4.9707 4.9707 5.0620 5.0620 10.1366 10.1366 10.6030 10.6030 10.6678 10.6678 12.2722 12.2722 13.4541 13.4541 14.2624 14.2624 k = 0.1633-0.0943 0.1333 ( 8020 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8584 -5.8584 -5.8523 -5.8523 -5.0413 -5.0413 -5.0005 -5.0005 -4.9916 -4.9916 0.9480 0.9480 3.4071 3.4071 3.4875 3.4875 4.5804 4.5804 4.9661 4.9661 5.0642 5.0642 9.9934 9.9934 10.4693 10.4693 10.5084 10.5084 12.2508 12.2508 13.3750 13.3750 14.3446 14.3446 k = 0.1735-0.1002 0.1416 ( 8024 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8584 -5.8584 -5.8520 -5.8520 -5.0410 -5.0410 -5.0005 -5.0005 -4.9912 -4.9912 0.9896 0.9896 3.4065 3.4065 3.4945 3.4945 4.5846 4.5846 4.9620 4.9620 5.0667 5.0667 9.8496 9.8496 10.3367 10.3367 10.3505 10.3505 12.2298 12.2298 13.2980 13.2980 14.4286 14.4286 k = 0.1837-0.1060 0.1500 ( 8028 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8584 -5.8584 -5.8518 -5.8518 -5.0407 -5.0407 -5.0004 -5.0004 -4.9907 -4.9907 1.0336 1.0336 3.4058 3.4058 3.5020 3.5020 4.5889 4.5889 4.9583 4.9583 5.0693 5.0693 9.7047 9.7047 10.1911 10.1911 10.2093 10.2093 12.2092 12.2092 13.2236 13.2236 14.5145 14.5145 k = 0.1939-0.1119 0.1583 ( 8020 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8584 -5.8584 -5.8515 -5.8515 -5.0404 -5.0404 -5.0004 -5.0004 -4.9903 -4.9903 1.0798 1.0798 3.4050 3.4050 3.5099 3.5099 4.5932 4.5932 4.9554 4.9554 5.0723 5.0723 9.5584 9.5584 10.0371 10.0371 10.0811 10.0811 12.1890 12.1890 13.1521 13.1521 14.6024 14.6024 k = 0.2041-0.1178 0.1666 ( 8036 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8584 -5.8584 -5.8513 -5.8513 -5.0401 -5.0401 -5.0004 -5.0004 -4.9898 -4.9898 1.1282 1.1282 3.4041 3.4041 3.5183 3.5183 4.5974 4.5974 4.9532 4.9532 5.0755 5.0755 9.4102 9.4102 9.8861 9.8861 9.9555 9.9555 12.1694 12.1694 13.0836 13.0836 14.6926 14.6926 k = 0.2143-0.1237 0.1750 ( 8036 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8583 -5.8583 -5.8510 -5.8510 -5.0399 -5.0399 -5.0003 -5.0003 -4.9893 -4.9893 1.1787 1.1787 3.4031 3.4031 3.5272 3.5272 4.6015 4.6015 4.9520 4.9520 5.0790 5.0790 9.2598 9.2598 9.7391 9.7391 9.8324 9.8324 12.1504 12.1504 13.0183 13.0183 14.7853 14.7853 k = 0.2245-0.1296 0.1833 ( 8040 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8583 -5.8583 -5.8508 -5.8508 -5.0396 -5.0396 -5.0002 -5.0002 -4.9888 -4.9888 1.2313 1.2313 3.4020 3.4020 3.5365 3.5365 4.6052 4.6052 4.9517 4.9517 5.0829 5.0829 9.1070 9.1070 9.5969 9.5969 9.7116 9.7116 12.1321 12.1321 12.9561 12.9561 14.8806 14.8806 k = 0.2347-0.1355 0.1916 ( 8060 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8582 -5.8582 -5.8506 -5.8506 -5.0393 -5.0393 -5.0001 -5.0001 -4.9883 -4.9883 1.2860 1.2860 3.4007 3.4007 3.5464 3.5464 4.6087 4.6087 4.9526 4.9526 5.0871 5.0871 8.9518 8.9518 9.4599 9.4599 9.5933 9.5933 12.1146 12.1146 12.8971 12.8971 14.9786 14.9786 k = 0.2449-0.1414 0.2000 ( 8044 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8582 -5.8582 -5.8504 -5.8504 -5.0390 -5.0390 -5.0000 -5.0000 -4.9878 -4.9878 1.3425 1.3425 3.3992 3.3992 3.5568 3.5568 4.6117 4.6117 4.9548 4.9548 5.0917 5.0917 8.7944 8.7944 9.3283 9.3283 9.4776 9.4776 12.0977 12.0977 12.8410 12.8410 15.0794 15.0794 k = 0.2551-0.1473 0.2083 ( 8044 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8581 -5.8581 -5.8502 -5.8502 -5.0387 -5.0387 -4.9999 -4.9999 -4.9873 -4.9873 1.4008 1.4008 3.3976 3.3976 3.5678 3.5678 4.6143 4.6143 4.9583 4.9583 5.0967 5.0967 8.6352 8.6352 9.2021 9.2021 9.3646 9.3646 12.0817 12.0817 12.7879 12.7879 15.1831 15.1831 k = 0.2653-0.1532 0.2166 ( 8060 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8580 -5.8580 -5.8500 -5.8500 -5.0385 -5.0385 -4.9998 -4.9998 -4.9868 -4.9868 1.4607 1.4607 3.3957 3.3957 3.5795 3.5795 4.6162 4.6162 4.9631 4.9631 5.1022 5.1022 8.4747 8.4747 9.0812 9.0812 9.2544 9.2544 12.0665 12.0665 12.7376 12.7376 15.2897 15.2897 k = 0.2755-0.1591 0.2250 ( 8044 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8579 -5.8579 -5.8498 -5.8498 -5.0382 -5.0382 -4.9997 -4.9997 -4.9863 -4.9863 1.5223 1.5223 3.3936 3.3936 3.5919 3.5919 4.6175 4.6175 4.9694 4.9694 5.1082 5.1082 8.3135 8.3135 8.9654 8.9654 9.1470 9.1470 12.0521 12.0521 12.6900 12.6900 15.3992 15.3992 k = 0.2857-0.1650 0.2333 ( 8036 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8578 -5.8578 -5.8496 -5.8496 -5.0379 -5.0379 -4.9996 -4.9996 -4.9858 -4.9858 1.5852 1.5852 3.3913 3.3913 3.6051 3.6051 4.6181 4.6181 4.9772 4.9772 5.1147 5.1147 8.1522 8.1522 8.8546 8.8546 9.0427 9.0427 12.0385 12.0385 12.6451 12.6451 15.5118 15.5118 k = 0.2959-0.1708 0.2416 ( 8064 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8577 -5.8577 -5.8494 -5.8494 -5.0377 -5.0377 -4.9995 -4.9995 -4.9852 -4.9852 1.6493 1.6493 3.3887 3.3887 3.6192 3.6192 4.6178 4.6178 4.9864 4.9864 5.1217 5.1217 7.9913 7.9913 8.7485 8.7485 8.9414 8.9414 12.0258 12.0258 12.6028 12.6028 15.6273 15.6273 k = 0.3061-0.1767 0.2499 ( 8056 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8575 -5.8575 -5.8493 -5.8493 -5.0374 -5.0374 -4.9995 -4.9995 -4.9847 -4.9847 1.7144 1.7144 3.3858 3.3858 3.6342 3.6342 4.6168 4.6168 4.9970 4.9970 5.1292 5.1292 7.8314 7.8314 8.6471 8.6471 8.8434 8.8434 12.0139 12.0139 12.5629 12.5629 15.7458 15.7458 k = 0.3163-0.1826 0.2583 ( 8072 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8574 -5.8574 -5.8491 -5.8491 -5.0372 -5.0372 -4.9994 -4.9994 -4.9842 -4.9842 1.7803 1.7803 3.3827 3.3827 3.6502 3.6502 4.6148 4.6148 5.0091 5.0091 5.1373 5.1373 7.6729 7.6729 8.5502 8.5502 8.7487 8.7487 12.0029 12.0029 12.5254 12.5254 15.8673 15.8673 k = 0.3265-0.1885 0.2666 ( 8080 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8573 -5.8573 -5.8490 -5.8490 -5.0369 -5.0369 -4.9993 -4.9993 -4.9837 -4.9837 1.8468 1.8468 3.3792 3.3792 3.6674 3.6674 4.6118 4.6118 5.0224 5.0224 5.1459 5.1459 7.5162 7.5162 8.4578 8.4578 8.6576 8.6576 11.9927 11.9927 12.4902 12.4902 15.9918 15.9918 k = 0.3367-0.1944 0.2749 ( 8084 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8571 -5.8571 -5.8489 -5.8489 -5.0367 -5.0367 -4.9992 -4.9992 -4.9832 -4.9832 1.9134 1.9134 3.3754 3.3754 3.6860 3.6860 4.6077 4.6077 5.0371 5.0371 5.1551 5.1551 7.3619 7.3619 8.3699 8.3699 8.5701 8.5701 11.9833 11.9833 12.4572 12.4572 16.1191 16.1191 k = 0.3469-0.2003 0.2833 ( 8088 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8570 -5.8570 -5.8488 -5.8488 -5.0365 -5.0365 -4.9991 -4.9991 -4.9827 -4.9827 1.9800 1.9800 3.3714 3.3714 3.7060 3.7060 4.6025 4.6025 5.0530 5.0530 5.1648 5.1648 7.2104 7.2104 8.2865 8.2865 8.4864 8.4864 11.9747 11.9747 12.4264 12.4264 16.2494 16.2494 k = 0.3571-0.2062 0.2916 ( 8072 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8569 -5.8569 -5.8487 -5.8487 -5.0363 -5.0363 -4.9991 -4.9991 -4.9822 -4.9822 2.0461 2.0461 3.3670 3.3670 3.7276 3.7276 4.5959 4.5959 5.0701 5.0701 5.1750 5.1750 7.0620 7.0620 8.2076 8.2076 8.4067 8.4067 11.9669 11.9669 12.3977 12.3977 16.3825 16.3825 k = 0.3673-0.2121 0.2999 ( 8072 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8567 -5.8567 -5.8486 -5.8486 -5.0361 -5.0361 -4.9990 -4.9990 -4.9818 -4.9818 2.1112 2.1112 3.3624 3.3624 3.7511 3.7511 4.5878 4.5878 5.0884 5.0884 5.1856 5.1856 6.9173 6.9173 8.1334 8.1334 8.3312 8.3312 11.9598 11.9598 12.3711 12.3711 16.5185 16.5185 k = 0.3776-0.2180 0.3083 ( 8072 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8566 -5.8566 -5.8486 -5.8486 -5.0359 -5.0359 -4.9990 -4.9990 -4.9814 -4.9814 2.1750 2.1750 3.3574 3.3574 3.7765 3.7765 4.5781 4.5781 5.1077 5.1077 5.1968 5.1968 6.7765 6.7765 8.0638 8.0638 8.2600 8.2600 11.9535 11.9535 12.3465 12.3465 16.6572 16.6572 k = 0.3878-0.2239 0.3166 ( 8072 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8564 -5.8564 -5.8485 -5.8485 -5.0357 -5.0357 -4.9989 -4.9989 -4.9810 -4.9810 2.2370 2.2370 3.3523 3.3523 3.8040 3.8040 4.5666 4.5666 5.1281 5.1281 5.2084 5.2084 6.6402 6.6402 7.9992 7.9992 8.1934 8.1934 11.9479 11.9479 12.3238 12.3238 16.7987 16.7987 k = 0.3980-0.2298 0.3249 ( 8088 PWs) bands (ev): -37.4275 -37.4275 -36.9326 -36.9326 -5.8563 -5.8563 -5.8484 -5.8484 -5.0355 -5.0355 -4.9989 -4.9989 -4.9806 -4.9806 2.2964 2.2964 3.3469 3.3469 3.8338 3.8338 4.5529 4.5529 5.1494 5.1494 5.2206 5.2206 6.5087 6.5087 7.9394 7.9394 8.1315 8.1315 11.9430 11.9430 12.3032 12.3032 16.9428 16.9428 k = 0.4082-0.2357 0.3333 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8562 -5.8562 -5.8484 -5.8484 -5.0354 -5.0354 -4.9989 -4.9989 -4.9802 -4.9802 2.3529 2.3529 3.3415 3.3415 3.8660 3.8660 4.5369 4.5369 5.1713 5.1713 5.2337 5.2337 6.3826 6.3826 7.8848 7.8848 8.0746 8.0746 11.9388 11.9388 12.2845 12.2845 17.0896 17.0896 k = 0.4184-0.2415 0.3416 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8561 -5.8561 -5.8484 -5.8484 -5.0352 -5.0352 -4.9988 -4.9988 -4.9799 -4.9799 2.4058 2.4058 3.3360 3.3360 3.9006 3.9006 4.5183 4.5183 5.1930 5.1930 5.2485 5.2485 6.2623 6.2623 7.8354 7.8354 8.0229 8.0229 11.9351 11.9351 12.2677 12.2677 17.2389 17.2389 k = 0.4286-0.2474 0.3499 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8559 -5.8559 -5.8483 -5.8483 -5.0351 -5.0351 -4.9988 -4.9988 -4.9796 -4.9796 2.4544 2.4544 3.3305 3.3305 3.9375 3.9375 4.4970 4.4970 5.2130 5.2130 5.2665 5.2665 6.1483 6.1483 7.7914 7.7914 7.9767 7.9767 11.9320 11.9320 12.2528 12.2528 17.3907 17.3907 k = 0.4388-0.2533 0.3583 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8558 -5.8558 -5.8483 -5.8483 -5.0350 -5.0350 -4.9988 -4.9988 -4.9794 -4.9794 2.4981 2.4981 3.3253 3.3253 3.9766 3.9766 4.4727 4.4727 5.2298 5.2298 5.2896 5.2896 6.0409 6.0409 7.7529 7.7529 7.9360 7.9360 11.9294 11.9294 12.2399 12.2399 17.5448 17.5448 k = 0.4490-0.2592 0.3666 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8558 -5.8558 -5.8483 -5.8483 -5.0349 -5.0349 -4.9988 -4.9988 -4.9791 -4.9791 2.5363 2.5363 3.3204 3.3204 4.0175 4.0175 4.4455 4.4455 5.2427 5.2427 5.3185 5.3185 5.9407 5.9407 7.7201 7.7201 7.9013 7.9013 11.9273 11.9273 12.2289 12.2289 17.7013 17.7013 k = 0.4592-0.2651 0.3749 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8557 -5.8557 -5.8483 -5.8483 -5.0348 -5.0348 -4.9988 -4.9988 -4.9790 -4.9790 2.5685 2.5685 3.3160 3.3160 4.0595 4.0595 4.4154 4.4154 5.2524 5.2524 5.3528 5.3528 5.8478 5.8478 7.6930 7.6930 7.8725 7.8725 11.9257 11.9257 12.2199 12.2199 17.8600 17.8600 k = 0.4694-0.2710 0.3833 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0347 -5.0347 -4.9988 -4.9988 -4.9788 -4.9788 2.5941 2.5941 3.3123 3.3123 4.1019 4.1019 4.3830 4.3830 5.2596 5.2596 5.3921 5.3921 5.7627 5.7627 7.6719 7.6719 7.8500 7.8500 11.9245 11.9245 12.2129 12.2129 18.0208 18.0208 k = 0.4796-0.2769 0.3916 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0347 -5.0347 -4.9987 -4.9987 -4.9787 -4.9787 2.6128 2.6128 3.3096 3.3096 4.1426 4.1426 4.3497 4.3497 5.2645 5.2645 5.4363 5.4363 5.6855 5.6855 7.6567 7.6567 7.8337 7.8337 11.9236 11.9236 12.2079 12.2079 18.1835 18.1835 k = 0.4898-0.2828 0.3999 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0347 -5.0347 -4.9987 -4.9987 -4.9786 -4.9786 2.6241 2.6241 3.3078 3.3078 4.1772 4.1772 4.3197 4.3197 5.2675 5.2675 5.4844 5.4844 5.6176 5.6176 7.6476 7.6476 7.8240 7.8240 11.9231 11.9231 12.2049 12.2049 18.3480 18.3480 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0346 -5.0346 -4.9987 -4.9987 -4.9786 -4.9786 2.6279 2.6279 3.3073 3.3073 4.1931 4.1931 4.3053 4.3053 5.2684 5.2684 5.5197 5.5197 5.5755 5.5755 7.6445 7.6445 7.8207 7.8207 11.9229 11.9229 12.2039 12.2039 18.5136 18.5136 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0346 -5.0346 -4.9987 -4.9987 -4.9786 -4.9786 2.6279 2.6279 3.3073 3.3073 4.1931 4.1931 4.3053 4.3053 5.2684 5.2684 5.5197 5.5197 5.5755 5.5755 7.6445 7.6445 7.8207 7.8207 11.9229 11.9229 12.2039 12.2039 18.5136 18.5136 k = 0.5000-0.2771 0.4164 ( 8084 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8557 -5.8554 -5.8487 -5.8479 -5.0347 -5.0346 -4.9991 -4.9983 -4.9789 -4.9784 2.6232 2.6323 3.3048 3.3113 4.1707 4.2122 4.3064 4.3075 5.2612 5.2740 5.5115 5.5275 5.5724 5.5788 7.6360 7.6517 7.8188 7.8211 11.9255 11.9289 12.2044 12.2111 18.4914 18.5044 k = 0.5000-0.2656 0.4246 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8559 -5.8552 -5.8491 -5.8475 -5.0347 -5.0345 -4.9995 -4.9979 -4.9791 -4.9783 2.6184 2.6366 3.3040 3.3170 4.1466 4.2259 4.3113 4.3127 5.2525 5.2778 5.5019 5.5346 5.5703 5.5823 7.6257 7.6578 7.8157 7.8196 11.9367 11.9435 12.2128 12.2261 18.4398 18.4636 k = 0.5000-0.2540 0.4327 ( 8070 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8561 -5.8550 -5.8495 -5.8471 -5.0347 -5.0345 -4.9999 -4.9975 -4.9794 -4.9782 2.6135 2.6407 3.3048 3.3243 4.1217 4.2329 4.3160 4.3254 5.2426 5.2800 5.4895 5.5396 5.5704 5.5876 7.6133 7.6630 7.8120 7.8162 11.9565 11.9666 12.2290 12.2486 18.3524 18.3823 k = 0.5000-0.2425 0.4409 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8563 -5.8548 -5.8498 -5.8467 -5.0347 -5.0344 -5.0003 -4.9970 -4.9797 -4.9781 2.6085 2.6445 3.3072 3.3331 4.0964 4.2343 4.3212 4.3435 5.2317 5.2805 5.4735 5.5402 5.5736 5.5970 7.5982 7.6670 7.8083 7.8110 11.9846 11.9981 12.2530 12.2785 18.2302 18.2629 k = 0.5000-0.2309 0.4491 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8564 -5.8546 -5.8502 -5.8464 -5.0347 -5.0343 -5.0006 -4.9965 -4.9801 -4.9781 2.6035 2.6481 3.3112 3.3435 4.0710 4.2321 4.3266 4.3646 5.2201 5.2795 5.4537 5.5357 5.5801 5.6110 7.5802 7.6697 7.8043 7.8050 12.0210 12.0378 12.2846 12.3157 18.0818 18.1165 k = 0.5000-0.2194 0.4572 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8566 -5.8544 -5.8506 -5.8460 -5.0347 -5.0342 -5.0010 -4.9961 -4.9805 -4.9781 2.5984 2.6515 3.3167 3.3552 4.0458 4.2280 4.3321 4.3872 5.2081 5.2773 5.4305 5.5271 5.5894 5.6287 7.5591 7.6704 7.7968 7.8025 12.0655 12.0855 12.3237 12.3597 17.9167 17.9537 k = 0.5000-0.2078 0.4654 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8567 -5.8542 -5.8510 -5.8457 -5.0347 -5.0341 -5.0013 -4.9956 -4.9809 -4.9781 2.5933 2.6546 3.3237 3.3684 4.0207 4.2228 4.3376 4.4104 5.1958 5.2739 5.4044 5.5153 5.6014 5.6491 7.5347 7.6684 7.7895 7.8010 12.1178 12.1410 12.3701 12.4105 17.7416 17.7814 k = 0.5000-0.1963 0.4736 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8569 -5.8540 -5.8514 -5.8454 -5.0347 -5.0339 -5.0016 -4.9951 -4.9813 -4.9782 2.5883 2.6575 3.3322 3.3828 3.9960 4.2170 4.3430 4.4334 5.1832 5.2694 5.3759 5.5013 5.6155 5.6715 7.5074 7.6628 7.7833 7.8005 12.1776 12.2039 12.4234 12.4675 17.5608 17.6039 k = 0.5000-0.1848 0.4817 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8570 -5.8538 -5.8518 -5.8450 -5.0347 -5.0338 -5.0019 -4.9946 -4.9818 -4.9783 2.5833 2.6601 3.3420 3.3984 3.9717 4.2108 4.3482 4.4561 5.1705 5.2638 5.3456 5.4857 5.6317 5.6955 7.4773 7.6530 7.7792 7.8010 12.2446 12.2740 12.4835 12.5306 17.3772 17.4238 k = 0.5000-0.1732 0.4899 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8571 -5.8536 -5.8521 -5.8447 -5.0347 -5.0337 -5.0021 -4.9941 -4.9822 -4.9785 2.5784 2.6625 3.3531 3.4151 3.9478 4.2044 4.3534 4.4783 5.1576 5.2572 5.3143 5.4692 5.6496 5.7204 7.4449 7.6388 7.7774 7.8023 12.3185 12.3508 12.5499 12.5994 17.1926 17.2430 k = 0.5000-0.1617 0.4981 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8572 -5.8534 -5.8525 -5.8445 -5.0346 -5.0335 -5.0024 -4.9936 -4.9827 -4.9787 2.5737 2.6646 3.3654 3.4327 3.9244 4.1978 4.3583 4.4996 5.1441 5.2495 5.2826 5.4523 5.6689 5.7462 7.4107 7.6208 7.7778 7.8043 12.3987 12.4338 12.6223 12.6734 17.0085 17.0627 k = 0.5000-0.1501 0.5062 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8573 -5.8532 -5.8528 -5.8442 -5.0346 -5.0334 -5.0026 -4.9931 -4.9832 -4.9789 2.5692 2.6665 3.3789 3.4510 3.9014 4.1912 4.3630 4.5202 5.1298 5.2406 5.2515 5.4356 5.6895 5.7724 7.3751 7.5999 7.7796 7.8067 12.4849 12.5226 12.7003 12.7524 16.8258 16.8840 k = 0.5000-0.1386 0.5144 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8574 -5.8532 -5.8531 -5.8439 -5.0346 -5.0332 -5.0028 -4.9926 -4.9836 -4.9791 2.5649 2.6682 3.3934 3.4700 3.8789 4.1845 4.3675 4.5397 5.1138 5.2221 5.2306 5.4197 5.7111 5.7987 7.3386 7.5769 7.7825 7.8095 12.5764 12.6166 12.7833 12.8357 16.6454 16.7078 k = 0.5000-0.1270 0.5226 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8574 -5.8535 -5.8529 -5.8437 -5.0345 -5.0331 -5.0030 -4.9921 -4.9841 -4.9794 2.5608 2.6698 3.4088 3.4892 3.8569 4.1779 4.3717 4.5583 5.0954 5.1960 5.2195 5.4050 5.7334 5.8248 7.3018 7.5526 7.7859 7.8125 12.6727 12.7150 12.8708 12.9230 16.4682 16.5347 k = 0.5000-0.1155 0.5307 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8575 -5.8538 -5.8527 -5.8435 -5.0345 -5.0329 -5.0031 -4.9916 -4.9846 -4.9797 2.5569 2.6711 3.4250 3.5087 3.8353 4.1714 4.3756 4.5759 5.0739 5.1741 5.2073 5.3918 5.7561 5.8505 7.2651 7.5277 7.7896 7.8155 12.7729 12.8169 12.9621 13.0138 16.2949 16.3655 k = 0.5000-0.1039 0.5389 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8540 -5.8526 -5.8433 -5.0345 -5.0328 -5.0033 -4.9911 -4.9850 -4.9800 2.5534 2.6723 3.4418 3.5279 3.8142 4.1650 4.3793 4.5924 5.0495 5.1567 5.1944 5.3802 5.7790 5.8753 7.2292 7.5029 7.7933 7.8185 12.8762 12.9215 13.0564 13.1072 16.1265 16.2011 k = 0.5000-0.0924 0.5471 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8543 -5.8525 -5.8431 -5.0345 -5.0327 -5.0034 -4.9906 -4.9854 -4.9804 2.5501 2.6733 3.4592 3.5467 3.7934 4.1588 4.3826 4.6079 5.0232 5.1432 5.1812 5.3704 5.8014 5.8989 7.1946 7.4787 7.7969 7.8214 12.9813 13.0272 13.1527 13.2026 15.9640 16.0422 k = 0.5000-0.0808 0.5552 ( 8048 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8545 -5.8524 -5.8430 -5.0344 -5.0325 -5.0035 -4.9902 -4.9858 -4.9807 2.5472 2.6741 3.4770 3.5647 3.7732 4.1528 4.3857 4.6223 4.9965 5.1327 5.1681 5.3621 5.8231 5.9210 7.1619 7.4557 7.8002 7.8240 13.0870 13.1324 13.2496 13.2989 15.8085 15.8901 k = 0.5000-0.0693 0.5634 ( 8052 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8547 -5.8523 -5.8428 -5.0344 -5.0324 -5.0036 -4.9897 -4.9861 -4.9810 2.5447 2.6748 3.4951 3.5815 3.7533 4.1472 4.3883 4.6356 4.9705 5.1245 5.1555 5.3554 5.8435 5.9412 7.1317 7.4345 7.8033 7.8265 13.1914 13.2349 13.3453 13.3947 15.6619 15.7463 k = 0.5000-0.0577 0.5715 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8549 -5.8522 -5.8427 -5.0344 -5.0323 -5.0037 -4.9893 -4.9864 -4.9813 2.5425 2.6754 3.5131 3.5967 3.7341 4.1420 4.3906 4.6477 4.9464 5.1180 5.1440 5.3499 5.8621 5.9592 7.1046 7.4155 7.8059 7.8286 13.2920 13.3320 13.4374 13.4881 15.5264 15.6129 k = 0.5000-0.0462 0.5797 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8551 -5.8521 -5.8426 -5.0344 -5.0322 -5.0037 -4.9889 -4.9867 -4.9816 2.5407 2.6759 3.5308 3.6099 3.7155 4.1375 4.3926 4.6584 4.9249 5.1129 5.1340 5.3457 5.8784 5.9744 7.0814 7.3992 7.8081 7.8303 13.3856 13.4203 13.5227 13.5762 15.4051 15.4927 k = 0.5000-0.0346 0.5879 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8552 -5.8521 -5.8425 -5.0344 -5.0322 -5.0038 -4.9886 -4.9869 -4.9819 2.5392 2.6763 3.5477 3.6207 3.6982 4.1338 4.3941 4.6676 4.9069 5.1091 5.1258 5.3425 5.8917 5.9867 7.0625 7.3860 7.8098 7.8317 13.4679 13.4959 13.5971 13.6548 15.3020 15.3897 k = 0.5000-0.0231 0.5960 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8553 -5.8520 -5.8425 -5.0343 -5.0321 -5.0038 -4.9883 -4.9870 -4.9821 2.5382 2.6765 3.5628 3.6287 3.6828 4.1310 4.3952 4.6747 4.8932 5.1065 5.1197 5.3403 5.9016 5.9957 7.0486 7.3763 7.8111 7.8327 13.5335 13.5543 13.6556 13.7184 15.2221 15.3092 k = 0.5000-0.0115 0.6042 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8553 -5.8520 -5.8425 -5.0343 -5.0321 -5.0038 -4.9882 -4.9871 -4.9822 2.5376 2.6767 3.5741 3.6337 3.6714 4.1292 4.3958 4.6792 4.8845 5.1049 5.1160 5.3391 5.9078 6.0012 7.0401 7.3704 7.8118 7.8333 13.5764 13.5916 13.6933 13.7603 15.1711 15.2574 k = 0.5000 0.0000 0.6124 ( 8088 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8424 -5.0343 -5.0321 -5.0038 -4.9881 -4.9871 -4.9823 2.5374 2.6767 3.5785 3.6353 3.6669 4.1286 4.3960 4.6808 4.8816 5.1044 5.1147 5.3386 5.9098 6.0031 7.0372 7.3684 7.8121 7.8335 13.5914 13.6044 13.7064 13.7751 15.1535 15.2394 k = 0.5000 0.0000 0.6124 ( 8088 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8424 -5.0343 -5.0321 -5.0038 -4.9881 -4.9871 -4.9823 2.5374 2.6767 3.5785 3.6353 3.6669 4.1286 4.3960 4.6808 4.8816 5.1044 5.1147 5.3386 5.9098 6.0031 7.0372 7.3684 7.8121 7.8335 13.5914 13.6044 13.7064 13.7751 15.1535 15.2394 k = 0.4931 0.0120 0.6124 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8425 -5.0343 -5.0321 -5.0038 -4.9882 -4.9871 -4.9823 2.5368 2.6758 3.5756 3.6347 3.6691 4.1291 4.3952 4.6804 4.8834 5.1038 5.1161 5.3381 5.9071 6.0047 7.0387 7.3673 7.8148 7.8393 13.5638 13.5943 13.7095 13.7810 15.1560 15.2459 k = 0.4861 0.0241 0.6124 ( 8052 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8425 -5.0343 -5.0321 -5.0038 -4.9884 -4.9870 -4.9822 2.5353 2.6734 3.5672 3.6339 3.6750 4.1302 4.3927 4.6797 4.8886 5.1034 5.1189 5.3363 5.8994 6.0088 7.0426 7.3633 7.8241 7.8559 13.5033 13.5382 13.7277 13.7964 15.1715 15.2661 k = 0.4792 0.0361 0.6124 ( 8061 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8426 -5.0343 -5.0322 -5.0038 -4.9886 -4.9869 -4.9821 2.5331 2.6695 3.5547 3.6336 3.6829 4.1319 4.3887 4.6792 4.8965 5.1038 5.1221 5.3332 5.8883 6.0138 7.0481 7.3562 7.8411 7.8826 13.4200 13.4481 13.7531 13.8148 15.2049 15.3011 k = 0.4722 0.0481 0.6124 ( 8063 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8426 -5.0343 -5.0322 -5.0037 -4.9888 -4.9869 -4.9819 2.5302 2.6645 3.5399 3.6335 3.6919 4.1340 4.3834 4.6790 4.9066 5.1050 5.1257 5.3287 5.8748 6.0186 7.0541 7.3464 7.8660 7.9182 13.3200 13.3389 13.7785 13.8326 15.2553 15.3513 k = 0.4653 0.0601 0.6124 ( 8057 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8518 -5.8427 -5.0343 -5.0323 -5.0037 -4.9891 -4.9869 -4.9817 2.5268 2.6584 3.5242 3.6334 3.7012 4.1361 4.3772 4.6794 4.9185 5.1067 5.1296 5.3228 5.8598 6.0226 7.0600 7.3344 7.8988 7.9612 13.2082 13.2190 13.8019 13.8485 15.3200 15.4151 k = 0.4583 0.0722 0.6124 ( 8059 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8517 -5.8428 -5.0343 -5.0323 -5.0037 -4.9893 -4.9869 -4.9814 2.5232 2.6517 3.5084 3.6332 3.7106 4.1382 4.3706 4.6802 4.9316 5.1086 5.1342 5.3156 5.8439 6.0254 7.0654 7.3211 7.9386 8.0101 13.0874 13.0957 13.8226 13.8623 15.3962 15.4903 k = 0.4514 0.0842 0.6124 ( 8053 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8516 -5.8430 -5.0343 -5.0324 -5.0036 -4.9896 -4.9869 -4.9812 2.5194 2.6443 3.4930 3.6328 3.7197 4.1402 4.3639 4.6814 4.9457 5.1104 5.1394 5.3072 5.8276 6.0272 7.0698 7.3072 7.9847 8.0634 12.9610 12.9733 13.8406 13.8738 15.4814 15.5748 k = 0.4444 0.0962 0.6124 ( 8055 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8514 -5.8431 -5.0342 -5.0325 -5.0035 -4.9899 -4.9869 -4.9809 2.5156 2.6366 3.4785 3.6322 3.7284 4.1420 4.3574 4.6828 4.9606 5.1120 5.1453 5.2975 5.8112 6.0280 7.0732 7.2932 8.0357 8.1194 12.8348 12.8522 13.8560 13.8834 15.5738 15.6667 k = 0.4375 0.1083 0.6124 ( 8057 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8513 -5.8433 -5.0342 -5.0326 -5.0035 -4.9902 -4.9870 -4.9807 2.5118 2.6289 3.4651 3.6316 3.7365 4.1434 4.3515 4.6842 4.9762 5.1133 5.1515 5.2869 5.7950 6.0279 7.0757 7.2797 8.0902 8.1766 12.7123 12.7340 13.8689 13.8913 15.6716 15.7645 k = 0.4306 0.1203 0.6124 ( 8059 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8511 -5.8434 -5.0341 -5.0327 -5.0034 -4.9905 -4.9870 -4.9805 2.5083 2.6212 3.4529 3.6309 3.7439 4.1445 4.3462 4.6856 4.9923 5.1143 5.1580 5.2754 5.7793 6.0273 7.0773 7.2671 8.1465 8.2334 12.5958 12.6209 13.8797 13.8978 15.7737 15.8669 k = 0.4236 0.1323 0.6124 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8554 -5.8510 -5.8436 -5.0341 -5.0328 -5.0034 -4.9907 -4.9870 -4.9802 2.5050 2.6138 3.4420 3.6302 3.7506 4.1454 4.3417 4.6867 5.0088 5.1151 5.1641 5.2634 5.7645 6.0262 7.0783 7.2555 8.2029 8.2882 12.4875 12.5148 13.8884 13.9031 15.8787 15.9726 k = 0.4167 0.1443 0.6124 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8508 -5.8438 -5.0340 -5.0329 -5.0033 -4.9910 -4.9870 -4.9800 2.5021 2.6069 3.4325 3.6295 3.7565 4.1459 4.3379 4.6877 5.0256 5.1157 5.1693 5.2514 5.7508 6.0248 7.0788 7.2451 8.2575 8.3395 12.3891 12.4176 13.8953 13.9074 15.9855 16.0803 k = 0.4097 0.1564 0.6124 ( 8071 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8507 -5.8439 -5.0340 -5.0330 -5.0032 -4.9912 -4.9870 -4.9799 2.4996 2.6008 3.4245 3.6288 3.7615 4.1462 4.3350 4.6884 5.0426 5.1162 5.1728 5.2400 5.7385 6.0234 7.0790 7.2362 8.3086 8.3857 12.3024 12.3312 13.9005 13.9111 16.0926 16.1883 k = 0.4028 0.1684 0.6124 ( 8070 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8506 -5.8441 -5.0339 -5.0331 -5.0032 -4.9914 -4.9870 -4.9797 2.4975 2.5954 3.4179 3.6282 3.7657 4.1463 4.3327 4.6889 5.0596 5.1166 5.1732 5.2305 5.7279 6.0220 7.0789 7.2287 8.3541 8.4254 12.2290 12.2573 13.9043 13.9142 16.1982 16.2938 k = 0.3958 0.1804 0.6124 ( 8074 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8504 -5.8442 -5.0338 -5.0332 -5.0031 -4.9916 -4.9870 -4.9796 2.4959 2.5911 3.4128 3.6277 3.7690 4.1463 4.3311 4.6893 5.0764 5.1169 5.1691 5.2242 5.7193 6.0209 7.0788 7.2229 8.3923 8.4574 12.1704 12.1977 13.9069 13.9166 16.2995 16.3920 k = 0.3889 0.1925 0.6124 ( 8070 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8504 -5.8443 -5.0338 -5.0333 -5.0031 -4.9917 -4.9870 -4.9795 2.4947 2.5880 3.4091 3.6274 3.7713 4.1463 4.3300 4.6895 5.0925 5.1172 5.1607 5.2213 5.7130 6.0200 7.0787 7.2187 8.4212 8.4807 12.1276 12.1538 13.9085 13.9185 16.3917 16.4740 k = 0.3819 0.2045 0.6124 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8443 -5.0337 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4940 2.5860 3.4069 3.6271 3.7728 4.1463 4.3294 4.6896 5.1062 5.1179 5.1502 5.2203 5.7091 6.0194 7.0786 7.2161 8.4393 8.4948 12.1017 12.1269 13.9095 13.9195 16.4656 16.5248 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.3678 0.2123 0.6006 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8557 -5.8501 -5.8444 -5.0335 -5.0334 -5.0031 -4.9916 -4.9876 -4.9796 2.4772 2.5685 3.4151 3.6483 3.7529 4.1324 4.3347 4.7090 5.0859 5.0912 5.1322 5.2095 5.7310 6.0582 7.0666 7.1968 8.5247 8.5794 12.0996 12.1249 14.0701 14.0751 16.3708 16.4081 k = 0.3606 0.2082 0.5888 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8580 -5.8558 -5.8499 -5.8445 -5.0335 -5.0334 -5.0031 -4.9915 -4.9881 -4.9798 2.4588 2.5494 3.4236 3.6655 3.7336 4.1166 4.3433 4.7260 5.0507 5.0628 5.1324 5.2008 5.7569 6.0969 7.0615 7.1848 8.6070 8.6626 12.1065 12.1322 14.2279 14.2283 16.2449 16.2815 k = 0.3534 0.2040 0.5770 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8581 -5.8560 -5.8496 -5.8446 -5.0335 -5.0333 -5.0032 -4.9915 -4.9885 -4.9800 2.4384 2.5277 3.4318 3.6767 3.7167 4.0988 4.3556 4.7400 5.0155 5.0349 5.1363 5.1937 5.7861 6.1352 7.0632 7.1798 8.6925 8.7488 12.1138 12.1400 14.3764 14.3826 16.1217 16.1577 k = 0.3462 0.1999 0.5653 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8582 -5.8561 -5.8494 -5.8448 -5.0336 -5.0332 -5.0031 -4.9917 -4.9888 -4.9801 2.4159 2.5035 3.4395 3.6770 3.7067 4.0788 4.3719 4.7508 4.9824 5.0080 5.1424 5.1880 5.8189 6.1729 7.0719 7.1823 8.7809 8.8379 12.1214 12.1481 14.5189 14.5310 16.0013 16.0364 k = 0.3389 0.1957 0.5535 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8582 -5.8562 -5.8493 -5.8450 -5.0336 -5.0332 -5.0031 -4.9919 -4.9891 -4.9803 2.3912 2.4767 3.4467 3.6650 3.7046 4.0566 4.3922 4.7580 4.9525 4.9825 5.1497 5.1836 5.8559 6.2100 7.0876 7.1926 8.8721 8.9299 12.1293 12.1566 14.6533 14.6711 15.8837 15.9179 k = 0.3317 0.1915 0.5417 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8583 -5.8563 -5.8491 -5.8452 -5.0337 -5.0331 -5.0031 -4.9923 -4.9892 -4.9804 2.3641 2.4470 3.4534 3.6487 3.7029 4.0323 4.4163 4.7615 4.9264 4.9585 5.1577 5.1804 5.8978 6.2467 7.1101 7.2111 8.9661 9.0246 12.1376 12.1655 14.7774 14.8009 15.7691 15.8022 k = 0.3245 0.1874 0.5299 ( 8050 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8584 -5.8563 -5.8489 -5.8455 -5.0339 -5.0331 -5.0030 -4.9928 -4.9893 -4.9806 2.3346 2.4146 3.4596 3.6315 3.6984 4.0061 4.4436 4.7612 4.9048 4.9361 5.1656 5.1784 5.9451 6.2834 7.1393 7.2378 9.0626 9.1220 12.1463 12.1749 14.8891 14.9180 15.6576 15.6891 k = 0.3173 0.1832 0.5182 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8585 -5.8564 -5.8488 -5.8457 -5.0340 -5.0330 -5.0029 -4.9932 -4.9894 -4.9807 2.3027 2.3793 3.4653 3.6144 3.6911 3.9783 4.4732 4.7575 4.8877 4.9152 5.1728 5.1776 5.9982 6.3206 7.1751 7.2725 9.1617 9.2218 12.1555 12.1848 14.9865 15.0203 15.5493 15.5788 k = 0.3101 0.1790 0.5064 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8585 -5.8564 -5.8486 -5.8461 -5.0342 -5.0330 -5.0029 -4.9937 -4.9895 -4.9808 2.2682 2.3412 3.4705 3.5976 3.6813 3.9492 4.5041 4.7510 4.8747 4.8959 5.1780 5.1787 6.0574 6.3590 7.2172 7.3151 9.2631 9.3240 12.1650 12.1951 15.0680 15.1065 15.4446 15.4711 k = 0.3029 0.1749 0.4946 ( 8058 PWs) bands (ev): -37.4275 -37.4274 -36.9325 -36.9325 -5.8586 -5.8564 -5.8485 -5.8464 -5.0343 -5.0331 -5.0028 -4.9942 -4.9896 -4.9809 2.2312 2.3003 3.4751 3.5812 3.6697 3.9193 4.5356 4.7428 4.8650 4.8781 5.1793 5.1831 6.1231 6.3996 7.2653 7.3651 9.3668 9.4285 12.1751 12.2059 15.1315 15.1755 15.3446 15.3659 k = 0.2957 0.1707 0.4828 ( 8064 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8587 -5.8563 -5.8484 -5.8467 -5.0346 -5.0331 -5.0026 -4.9947 -4.9897 -4.9810 2.1918 2.2567 3.4793 3.5653 3.6569 3.8891 4.5665 4.7338 4.8576 4.8617 5.1816 5.1855 6.1952 6.4433 7.3193 7.4222 9.4727 9.5352 12.1855 12.2172 15.1681 15.2266 15.2575 15.2633 k = 0.2885 0.1665 0.4711 ( 8056 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8587 -5.8563 -5.8483 -5.8471 -5.0348 -5.0332 -5.0025 -4.9952 -4.9899 -4.9811 2.1499 2.2105 3.4830 3.5500 3.6435 3.8589 4.5963 4.7249 4.8467 4.8519 5.1845 5.1860 6.2739 6.4910 7.3788 7.4859 9.5807 9.6441 12.1964 12.2289 15.1267 15.1618 15.2322 15.2582 k = 0.2812 0.1624 0.4593 ( 8054 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8588 -5.8562 -5.8483 -5.8475 -5.0350 -5.0333 -5.0024 -4.9956 -4.9900 -4.9812 2.1058 2.1620 3.4862 3.5353 3.6299 3.8291 4.6241 4.7163 4.8331 4.8474 5.1847 5.1879 6.3588 6.5436 7.4437 7.5556 9.6906 9.7549 12.2078 12.2411 15.0407 15.0626 15.2224 15.2386 k = 0.2740 0.1582 0.4475 ( 8066 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8589 -5.8562 -5.8482 -5.8479 -5.0353 -5.0334 -5.0022 -4.9960 -4.9903 -4.9813 2.0595 2.1113 3.4890 3.5214 3.6164 3.8000 4.6494 4.7085 4.8210 4.8437 5.1816 5.1915 6.4499 6.6019 7.5135 7.6309 9.8024 9.8676 12.2196 12.2539 14.9523 14.9643 15.1434 15.1493 k = 0.2668 0.1541 0.4357 ( 8054 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8590 -5.8561 -5.8483 -5.8482 -5.0355 -5.0336 -5.0021 -4.9965 -4.9905 -4.9814 2.0113 2.0587 3.4913 3.5082 3.6032 3.7720 4.6716 4.7013 4.8106 4.8408 5.1769 5.1949 6.5470 6.6666 7.5883 7.7115 9.9159 9.9821 12.2318 12.2670 14.8657 14.8660 15.0368 15.0374 k = 0.2596 0.1499 0.4240 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8590 -5.8560 -5.8487 -5.8482 -5.0358 -5.0338 -5.0019 -4.9968 -4.9908 -4.9815 1.9613 2.0045 3.4933 3.4959 3.5905 3.7452 4.6900 4.6948 4.8025 4.8386 5.1709 5.1979 6.6498 6.7380 7.6676 7.7969 10.0311 10.0982 12.2445 12.2807 14.7668 14.7817 14.9190 14.9333 k = 0.2524 0.1457 0.4122 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8591 -5.8559 -5.8492 -5.8482 -5.0361 -5.0340 -5.0017 -4.9972 -4.9911 -4.9816 1.9097 1.9488 3.4844 3.4949 3.5783 3.7197 4.6889 4.7035 4.7978 4.8370 5.1637 5.2003 6.7582 6.8165 7.7514 7.8868 10.1477 10.2159 12.2577 12.2948 14.6658 14.7002 14.8005 14.8356 k = 0.2452 0.1416 0.4004 ( 8058 PWs) bands (ev): -37.4276 -37.4275 -36.9325 -36.9325 -5.8592 -5.8558 -5.8496 -5.8483 -5.0364 -5.0342 -5.0015 -4.9976 -4.9914 -4.9818 1.8569 1.8920 3.4739 3.4961 3.5667 3.6958 4.6833 4.7112 4.7975 4.8363 5.1557 5.2018 6.8717 6.9021 7.8394 7.9811 10.2658 10.3350 12.2712 12.3093 14.5628 14.6206 14.6845 14.7447 k = 0.2380 0.1374 0.3886 ( 8054 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8593 -5.8556 -5.8500 -5.8483 -5.0367 -5.0345 -5.0013 -4.9979 -4.9918 -4.9819 1.8030 1.8344 3.4642 3.4969 3.5558 3.6733 4.6780 4.7129 4.8019 4.8363 5.1470 5.2023 6.9904 6.9949 7.9315 8.0794 10.3850 10.4554 12.2852 12.3243 14.4583 14.5382 14.5760 14.6603 k = 0.2308 0.1332 0.3768 ( 8058 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9324 -5.8593 -5.8555 -5.8504 -5.8484 -5.0370 -5.0348 -5.0011 -4.9982 -4.9922 -4.9821 1.7482 1.7763 3.4554 3.4974 3.5454 3.6524 4.6728 4.7099 4.8098 4.8371 5.1377 5.2018 7.0946 7.1139 8.0275 8.1815 10.5053 10.5769 12.2995 12.3396 14.3531 14.4395 14.4892 14.5820 k = 0.2236 0.1291 0.3651 ( 8058 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9324 -5.8594 -5.8554 -5.8509 -5.8485 -5.0373 -5.0351 -5.0009 -4.9985 -4.9926 -4.9822 1.6930 1.7178 3.4474 3.4976 3.5357 3.6329 4.6677 4.7041 4.8196 4.8388 5.1282 5.2002 7.2012 7.2420 8.1272 8.2873 10.6265 10.6994 12.3142 12.3553 14.2479 14.3309 14.4177 14.5092 k = 0.2163 0.1249 0.3533 ( 8058 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8595 -5.8553 -5.8513 -5.8486 -5.0376 -5.0354 -5.0007 -4.9987 -4.9930 -4.9825 1.6374 1.6593 3.4403 3.4975 3.5265 3.6150 4.6624 4.6967 4.8303 4.8414 5.1186 5.1977 7.3142 7.3746 8.2307 8.3967 10.7484 10.8226 12.3293 12.3714 14.1435 14.2223 14.3521 14.4412 k = 0.2091 0.1207 0.3415 ( 8054 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8595 -5.8552 -5.8517 -5.8487 -5.0379 -5.0357 -5.0005 -4.9989 -4.9934 -4.9827 1.5818 1.6010 3.4339 3.4970 3.5179 3.5984 4.6571 4.6885 4.8411 4.8449 5.1089 5.1942 7.4334 7.5115 8.3376 8.5094 10.8708 10.9464 12.3446 12.3877 14.0405 14.1154 14.2907 14.3778 k = 0.2019 0.1166 0.3297 ( 8056 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8596 -5.8551 -5.8521 -5.8489 -5.0382 -5.0361 -5.0002 -4.9992 -4.9939 -4.9830 1.5263 1.5431 3.4283 3.4962 3.5098 3.5832 4.6516 4.6799 4.8491 4.8519 5.0995 5.1900 7.5586 7.6526 8.4480 8.6254 10.9935 11.0705 12.3603 12.4043 13.9392 14.0109 14.2332 14.3188 k = 0.1947 0.1124 0.3180 ( 8056 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8596 -5.8550 -5.8525 -5.8490 -5.0385 -5.0365 -5.0000 -4.9994 -4.9943 -4.9833 1.4712 1.4859 3.4234 3.4951 3.5022 3.5692 4.6460 4.6712 4.8542 4.8626 5.0902 5.1850 7.6893 7.7977 8.5618 8.7446 11.1161 11.1946 12.3762 12.4211 13.8400 13.9091 14.1796 14.2641 k = 0.1875 0.1083 0.3062 ( 8052 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8597 -5.8549 -5.8529 -5.8492 -5.0388 -5.0368 -4.9998 -4.9995 -4.9947 -4.9836 1.4168 1.4295 3.4191 3.4937 3.4950 3.5564 4.6403 4.6624 4.8600 4.8731 5.0814 5.1795 7.8253 7.9466 8.6787 8.8669 11.2384 11.3185 12.3922 12.4380 13.7430 13.8100 14.1299 14.2137 k = 0.1803 0.1041 0.2944 ( 8052 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8597 -5.8548 -5.8532 -5.8494 -5.0391 -5.0372 -4.9997 -4.9996 -4.9952 -4.9839 1.3631 1.3740 3.4154 3.4883 3.4921 3.5446 4.6344 4.6537 4.8665 4.8834 5.0729 5.1736 7.9663 8.0992 8.7988 8.9922 11.3601 11.4416 12.4085 12.4551 13.6486 13.7138 14.0842 14.1676 k = 0.1731 0.0999 0.2826 ( 8048 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8598 -5.8547 -5.8536 -5.8496 -5.0394 -5.0376 -4.9999 -4.9993 -4.9956 -4.9843 1.3104 1.3198 3.4123 3.4820 3.4901 3.5339 4.6284 4.6451 4.8736 4.8936 5.0650 5.1673 8.1120 8.2554 8.9220 9.1203 11.4806 11.5636 12.4249 12.4722 13.5568 13.6208 14.0428 14.1261 k = 0.1659 0.0958 0.2709 ( 8040 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9323 -5.8598 -5.8547 -5.8539 -5.8498 -5.0397 -5.0380 -5.0000 -4.9991 -4.9960 -4.9848 1.2588 1.2669 3.4096 3.4761 3.4878 3.5242 4.6225 4.6368 4.8812 4.9035 5.0576 5.1607 8.2621 8.4150 9.0482 9.2513 11.5995 11.6840 12.4414 12.4893 13.4679 13.5309 14.0060 14.0892 k = 0.1587 0.0916 0.2591 ( 8048 PWs) bands (ev): -37.4278 -37.4278 -36.9324 -36.9323 -5.8598 -5.8546 -5.8542 -5.8500 -5.0400 -5.0384 -5.0001 -4.9989 -4.9965 -4.9852 1.2086 1.2154 3.4074 3.4705 3.4852 3.5154 4.6165 4.6287 4.8892 4.9133 5.0508 5.1540 8.4165 8.5779 9.1773 9.3851 11.7163 11.8019 12.4580 12.5063 13.3820 13.4443 13.9741 14.0572 k = 0.1514 0.0874 0.2473 ( 8052 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8598 -5.8546 -5.8545 -5.8503 -5.0402 -5.0388 -5.0002 -4.9987 -4.9968 -4.9857 1.1598 1.1655 3.4056 3.4653 3.4823 3.5074 4.6105 4.6209 4.8976 4.9229 5.0446 5.1472 8.5748 8.7439 9.3092 9.5215 11.8303 11.9167 12.4748 12.5231 13.2992 13.3612 13.9474 14.0305 k = 0.1442 0.0833 0.2355 ( 8056 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8598 -5.8548 -5.8546 -5.8505 -5.0405 -5.0392 -5.0003 -4.9985 -4.9972 -4.9862 1.1125 1.1174 3.4041 3.4605 3.4790 3.5002 4.6047 4.6134 4.9063 4.9323 5.0390 5.1404 8.7370 8.9130 9.4439 9.6605 11.9407 12.0274 12.4917 12.5398 13.2196 13.2817 13.9265 14.0093 k = 0.1370 0.0791 0.2238 ( 8042 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8598 -5.8550 -5.8546 -5.8508 -5.0408 -5.0396 -5.0003 -4.9983 -4.9975 -4.9867 1.0669 1.0710 3.4030 3.4559 3.4755 3.4938 4.5990 4.6062 4.9151 4.9415 5.0341 5.1336 8.9026 9.0848 9.5813 9.8020 12.0468 12.1325 12.5092 12.5562 13.1435 13.2060 13.9118 13.9941 k = 0.1298 0.0749 0.2120 ( 8040 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8597 -5.8552 -5.8546 -5.8510 -5.0410 -5.0400 -5.0004 -4.9981 -4.9978 -4.9873 1.0232 1.0265 3.4022 3.4517 3.4717 3.4880 4.5935 4.5994 4.9241 4.9505 5.0298 5.1269 9.0716 9.2592 9.7213 9.9460 12.1475 12.2304 12.5277 12.5724 13.0710 13.1343 13.9039 13.9852 k = 0.1226 0.0708 0.2002 ( 8044 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8597 -5.8555 -5.8546 -5.8513 -5.0413 -5.0404 -5.0004 -4.9981 -4.9980 -4.9879 0.9813 0.9840 3.4017 3.4478 3.4676 3.4829 4.5881 4.5930 4.9332 4.9593 5.0262 5.1203 9.2437 9.4361 9.8639 10.0922 12.2419 12.3187 12.5483 12.5882 13.0023 13.0667 13.9031 13.9830 k = 0.1154 0.0666 0.1884 ( 8036 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8596 -5.8556 -5.8547 -5.8516 -5.0415 -5.0407 -5.0004 -4.9983 -4.9978 -4.9885 0.9414 0.9436 3.4014 3.4441 3.4635 3.4781 4.5830 4.5870 4.9422 4.9677 5.0231 5.1138 9.4187 9.6150 10.0092 10.2406 12.3285 12.3937 12.5734 12.6039 12.9376 13.0037 13.9092 13.9877 k = 0.1082 0.0625 0.1766 ( 8036 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8595 -5.8558 -5.8547 -5.8519 -5.0418 -5.0411 -5.0005 -4.9985 -4.9977 -4.9891 0.9035 0.9053 3.4013 3.4407 3.4594 3.4737 4.5782 4.5814 4.9511 4.9758 5.0207 5.1075 9.5964 9.7959 10.1569 10.3910 12.4062 12.4508 12.6061 12.6197 12.8774 12.9455 13.9205 13.9993 k = 0.1010 0.0583 0.1649 ( 8036 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8594 -5.8560 -5.8548 -5.8522 -5.0420 -5.0414 -5.0005 -4.9987 -4.9976 -4.9897 0.8678 0.8692 3.4015 3.4376 3.4553 3.4695 4.5737 4.5762 4.9598 4.9836 5.0188 5.1014 9.7766 9.9781 10.3073 10.5434 12.4729 12.4885 12.6359 12.6469 12.8224 12.8927 13.9292 14.0166 k = 0.0938 0.0541 0.1531 ( 8022 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8593 -5.8561 -5.8549 -5.8524 -5.0422 -5.0418 -5.0005 -4.9988 -4.9975 -4.9903 0.8343 0.8354 3.4018 3.4348 3.4515 3.4655 4.5694 4.5714 4.9683 4.9909 5.0175 5.0955 9.9589 10.1612 10.4604 10.6975 12.5106 12.5260 12.6535 12.6906 12.7743 12.8462 13.9176 14.0345 k = 0.0865 0.0500 0.1413 ( 8022 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8592 -5.8562 -5.8550 -5.8527 -5.0424 -5.0421 -5.0004 -4.9988 -4.9974 -4.9910 0.8030 0.8039 3.4024 3.4322 3.4478 3.4616 4.5655 4.5670 4.9765 4.9979 5.0167 5.0898 10.1431 10.3445 10.6165 10.8532 12.5223 12.5615 12.6716 12.7310 12.7379 12.8071 13.8834 14.0082 k = 0.0793 0.0458 0.1295 ( 8014 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8590 -5.8564 -5.8551 -5.8530 -5.0426 -5.0423 -5.0004 -4.9988 -4.9973 -4.9916 0.7741 0.7748 3.4031 3.4299 3.4443 3.4577 4.5619 4.5630 4.9844 5.0044 5.0163 5.0842 10.3287 10.5270 10.7759 11.0102 12.5264 12.5749 12.6802 12.7279 12.7579 12.7836 13.8381 13.9445 k = 0.0721 0.0416 0.1178 ( 8010 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8588 -5.8564 -5.8552 -5.8533 -5.0428 -5.0426 -5.0003 -4.9988 -4.9973 -4.9923 0.7475 0.7480 3.4040 3.4278 3.4410 3.4539 4.5586 4.5594 4.9918 5.0103 5.0165 5.0789 10.5154 10.7074 10.9392 11.1683 12.5244 12.5663 12.6788 12.7446 12.7455 12.8019 13.7860 13.8715 k = 0.0649 0.0375 0.1060 ( 8002 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8587 -5.8565 -5.8554 -5.8536 -5.0430 -5.0428 -5.0002 -4.9988 -4.9973 -4.9929 0.7234 0.7237 3.4050 3.4261 3.4380 3.4502 4.5556 4.5562 4.9988 5.0158 5.0171 5.0737 10.7024 10.8840 11.1071 11.3270 12.5177 12.5450 12.6817 12.7289 12.7683 12.8241 13.7276 13.7911 k = 0.0577 0.0333 0.0942 ( 7980 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8584 -5.8566 -5.8555 -5.8539 -5.0432 -5.0431 -5.0001 -4.9987 -4.9973 -4.9935 0.7017 0.7019 3.4063 3.4245 3.4352 3.4466 4.5530 4.5534 5.0052 5.0181 5.0207 5.0688 10.8889 11.0551 11.2802 11.4861 12.5084 12.5209 12.6875 12.7189 12.7889 12.8416 13.6623 13.7037 k = 0.0505 0.0291 0.0824 ( 7972 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8582 -5.8566 -5.8556 -5.8543 -5.0433 -5.0433 -4.9999 -4.9986 -4.9973 -4.9941 0.6824 0.6826 3.4076 3.4233 3.4327 3.4431 4.5506 4.5509 5.0110 5.0196 5.0249 5.0640 11.0735 11.2190 11.4583 11.6449 12.4991 12.4992 12.6942 12.7135 12.8056 12.8545 13.5893 13.6098 k = 0.0433 0.0250 0.0707 ( 7974 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8580 -5.8566 -5.8557 -5.8546 -5.0435 -5.0434 -4.9997 -4.9985 -4.9973 -4.9947 0.6657 0.6658 3.4092 3.4223 3.4304 3.4397 4.5486 4.5488 5.0161 5.0215 5.0285 5.0595 11.2543 11.3740 11.6406 11.8028 12.4829 12.4925 12.7010 12.7113 12.8181 12.8631 13.5080 13.5102 k = 0.0361 0.0208 0.0589 ( 7968 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8578 -5.8566 -5.8559 -5.8549 -5.0436 -5.0436 -4.9995 -4.9984 -4.9974 -4.9953 0.6515 0.6515 3.4109 3.4215 3.4283 3.4364 4.5470 4.5471 5.0203 5.0241 5.0315 5.0551 11.4279 11.5184 11.8256 11.9588 12.4746 12.4915 12.7079 12.7113 12.8260 12.8678 13.4069 13.4187 k = 0.0288 0.0167 0.0471 ( 7978 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8575 -5.8566 -5.8560 -5.8552 -5.0437 -5.0437 -4.9992 -4.9983 -4.9974 -4.9958 0.6398 0.6399 3.4127 3.4211 3.4265 3.4332 4.5456 4.5456 5.0236 5.0272 5.0338 5.0509 11.5890 11.6488 12.0109 12.1114 12.4778 12.4987 12.7128 12.7153 12.8288 12.8682 13.3031 13.3231 k = 0.0216 0.0125 0.0353 ( 7979 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8572 -5.8566 -5.8561 -5.8555 -5.0438 -5.0438 -4.9989 -4.9982 -4.9975 -4.9964 0.6308 0.6308 3.4147 3.4208 3.4249 3.4301 4.5445 4.5445 5.0266 5.0302 5.0354 5.0469 11.7291 11.7607 12.1931 12.2583 12.4965 12.5166 12.7159 12.7241 12.8252 12.8628 13.2046 13.2254 k = 0.0144 0.0083 0.0236 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8570 -5.8565 -5.8562 -5.8558 -5.0438 -5.0438 -4.9986 -4.9980 -4.9976 -4.9969 0.6243 0.6243 3.4169 3.4209 3.4236 3.4272 4.5438 4.5438 5.0295 5.0327 5.0363 5.0430 11.8367 11.8479 12.3653 12.3960 12.5318 12.5453 12.7205 12.7327 12.8169 12.8495 13.1214 13.1357 k = 0.0072 0.0042 0.0118 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8567 -5.8565 -5.8563 -5.8561 -5.0439 -5.0439 -4.9982 -4.9979 -4.9977 -4.9974 0.6204 0.6204 3.4193 3.4212 3.4226 3.4244 4.5433 4.5433 5.0326 5.0347 5.0365 5.0394 11.9023 11.9039 12.5124 12.5179 12.5710 12.5762 12.7157 12.7202 12.8276 12.8390 13.0666 13.0720 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8564 -5.8564 -5.8564 -5.8564 -5.0439 -5.0439 -4.9978 -4.9978 -4.9978 -4.9978 0.6191 0.6191 3.4217 3.4217 3.4217 3.4217 4.5432 4.5432 5.0359 5.0359 5.0359 5.0359 11.9235 11.9235 12.5892 12.5892 12.5892 12.5892 12.6886 12.6886 12.8532 12.8532 13.0489 13.0489 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8564 -5.8564 -5.8564 -5.8564 -5.0439 -5.0439 -4.9978 -4.9978 -4.9978 -4.9978 0.6191 0.6191 3.4217 3.4217 3.4217 3.4217 4.5432 4.5432 5.0359 5.0359 5.0359 5.0359 11.9235 11.9235 12.5892 12.5892 12.5892 12.5892 12.6886 12.6886 12.8532 12.8532 13.0489 13.0489 k = 0.0116 0.0067 0.0047 ( 7991 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8567 -5.8564 -5.8564 -5.8561 -5.0439 -5.0439 -4.9982 -4.9978 -4.9978 -4.9973 0.6203 0.6203 3.4192 3.4219 3.4219 3.4244 4.5433 4.5433 5.0326 5.0355 5.0355 5.0395 11.9035 11.9035 12.5155 12.5155 12.5723 12.5769 12.7211 12.7211 12.8312 12.8312 13.0621 13.0666 k = 0.0233 0.0134 0.0095 ( 7988 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8570 -5.8564 -5.8564 -5.8558 -5.0438 -5.0438 -4.9986 -4.9978 -4.9978 -4.9969 0.6241 0.6241 3.4168 3.4223 3.4223 3.4273 4.5437 4.5437 5.0295 5.0344 5.0344 5.0433 11.8423 11.8423 12.3877 12.3877 12.5312 12.5403 12.7409 12.7409 12.8288 12.8288 13.1010 13.1105 k = 0.0349 0.0201 0.0142 ( 7982 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8573 -5.8563 -5.8563 -5.8555 -5.0438 -5.0438 -4.9989 -4.9978 -4.9978 -4.9963 0.6305 0.6305 3.4146 3.4229 3.4229 3.4302 4.5445 4.5445 5.0268 5.0325 5.0325 5.0473 11.7386 11.7386 12.2605 12.2605 12.4750 12.4883 12.7300 12.7300 12.8669 12.8669 13.1564 13.1712 k = 0.0465 0.0269 0.0190 ( 7988 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8575 -5.8563 -5.8563 -5.8552 -5.0437 -5.0437 -4.9992 -4.9979 -4.9979 -4.9958 0.6393 0.6393 3.4125 3.4238 3.4238 3.4332 4.5456 4.5456 5.0243 5.0299 5.0299 5.0515 11.5957 11.5957 12.1495 12.1495 12.4107 12.4279 12.7117 12.7117 12.9187 12.9187 13.2207 13.2412 k = 0.0581 0.0336 0.0237 ( 7979 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8578 -5.8562 -5.8562 -5.8549 -5.0436 -5.0436 -4.9995 -4.9979 -4.9979 -4.9952 0.6507 0.6507 3.4106 3.4250 3.4250 3.4363 4.5469 4.5469 5.0221 5.0266 5.0266 5.0560 11.4232 11.4232 12.0546 12.0546 12.3424 12.3635 12.6919 12.6919 12.9751 12.9751 13.2890 13.3158 k = 0.0698 0.0403 0.0285 ( 7982 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8580 -5.8562 -5.8562 -5.8546 -5.0435 -5.0435 -4.9997 -4.9980 -4.9980 -4.9946 0.6645 0.6645 3.4089 3.4264 3.4264 3.4395 4.5486 4.5486 5.0203 5.0226 5.0226 5.0606 11.2322 11.2322 11.9701 11.9701 12.2724 12.2971 12.6709 12.6709 13.0326 13.0326 13.3580 13.3916 k = 0.0814 0.0470 0.0332 ( 7964 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8583 -5.8561 -5.8561 -5.8543 -5.0433 -5.0433 -4.9999 -4.9980 -4.9980 -4.9940 0.6809 0.6809 3.4073 3.4281 3.4281 3.4426 4.5506 4.5506 5.0179 5.0179 5.0189 5.0654 11.0306 11.0306 11.8918 11.8918 12.2020 12.2302 12.6488 12.6488 13.0888 13.0888 13.4249 13.4657 k = 0.0930 0.0537 0.0380 ( 7961 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8585 -5.8560 -5.8560 -5.8540 -5.0431 -5.0431 -5.0000 -4.9981 -4.9981 -4.9934 0.6996 0.6996 3.4059 3.4301 3.4301 3.4458 4.5530 4.5530 5.0125 5.0125 5.0178 5.0704 10.8230 10.8230 11.8169 11.8169 12.1319 12.1636 12.6256 12.6256 13.1417 13.1417 13.4870 13.5351 k = 0.1047 0.0604 0.0427 ( 7988 PWs) bands (ev): -37.4280 -37.4280 -36.9322 -36.9322 -5.8587 -5.8559 -5.8559 -5.8537 -5.0429 -5.0429 -5.0001 -4.9982 -4.9982 -4.9928 0.7208 0.7208 3.4047 3.4324 3.4324 3.4490 4.5557 4.5557 5.0066 5.0066 5.0171 5.0756 10.6125 10.6125 11.7443 11.7443 12.0627 12.0977 12.6017 12.6017 13.1891 13.1891 13.5416 13.5965 k = 0.1163 0.0671 0.0475 ( 7994 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8589 -5.8558 -5.8558 -5.8534 -5.0427 -5.0427 -5.0001 -4.9983 -4.9983 -4.9921 0.7443 0.7443 3.4037 3.4350 3.4350 3.4521 4.5588 4.5588 5.0001 5.0001 5.0169 5.0809 10.4007 10.4007 11.6734 11.6734 11.9946 12.0328 12.5771 12.5771 13.2292 13.2292 13.5857 13.6460 k = 0.1279 0.0738 0.0522 ( 7997 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8591 -5.8557 -5.8557 -5.8531 -5.0425 -5.0425 -5.0001 -4.9984 -4.9984 -4.9915 0.7702 0.7702 3.4029 3.4379 3.4379 3.4551 4.5622 4.5622 4.9931 4.9931 5.0171 5.0864 10.1888 10.1888 11.6037 11.6037 11.9279 11.9692 12.5522 12.5522 13.2604 13.2604 13.6167 13.6801 k = 0.1395 0.0806 0.0570 ( 8009 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8592 -5.8556 -5.8556 -5.8529 -5.0423 -5.0423 -5.0000 -4.9985 -4.9985 -4.9908 0.7983 0.7983 3.4022 3.4411 3.4411 3.4580 4.5660 4.5660 4.9857 4.9857 5.0179 5.0920 9.9775 9.9775 11.5352 11.5352 11.8627 11.9069 12.5273 12.5273 13.2819 13.2819 13.6330 13.6961 k = 0.1512 0.0873 0.0617 ( 8015 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8593 -5.8554 -5.8554 -5.8527 -5.0420 -5.0420 -4.9999 -4.9986 -4.9986 -4.9902 0.8286 0.8286 3.4016 3.4447 3.4447 3.4608 4.5702 4.5702 4.9778 4.9778 5.0191 5.0978 9.7674 9.7674 11.4677 11.4677 11.7991 11.8462 12.5024 12.5024 13.2933 13.2933 13.6340 13.6937 k = 0.1628 0.0940 0.0665 ( 8021 PWs) bands (ev): -37.4279 -37.4279 -36.9322 -36.9322 -5.8594 -5.8553 -5.8553 -5.8524 -5.0417 -5.0417 -4.9997 -4.9987 -4.9987 -4.9895 0.8611 0.8611 3.4012 3.4488 3.4488 3.4634 4.5747 4.5747 4.9696 4.9696 5.0208 5.1037 9.5590 9.5590 11.4014 11.4014 11.7372 11.7870 12.4779 12.4779 13.2951 13.2951 13.6209 13.6748 k = 0.1744 0.1007 0.0712 ( 8021 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8595 -5.8552 -5.8552 -5.8522 -5.0415 -5.0415 -4.9995 -4.9988 -4.9988 -4.9889 0.8957 0.8957 3.4009 3.4533 3.4533 3.4659 4.5796 4.5796 4.9610 4.9610 5.0230 5.1097 9.3525 9.3525 11.3362 11.3362 11.6771 11.7295 12.4538 12.4538 13.2882 13.2882 13.5956 13.6423 k = 0.1860 0.1074 0.0760 ( 8015 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8596 -5.8550 -5.8550 -5.8520 -5.0412 -5.0412 -4.9993 -4.9990 -4.9990 -4.9883 0.9323 0.9323 3.4008 3.4582 3.4582 3.4681 4.5848 4.5848 4.9522 4.9522 5.0258 5.1158 9.1483 9.1483 11.2722 11.2722 11.6188 11.6735 12.4302 12.4302 13.2740 13.2740 13.5605 13.5996 k = 0.1977 0.1141 0.0807 ( 8021 PWs) bands (ev): -37.4279 -37.4279 -36.9323 -36.9323 -5.8596 -5.8549 -5.8549 -5.8519 -5.0409 -5.0409 -4.9991 -4.9991 -4.9990 -4.9876 0.9707 0.9707 3.4008 3.4638 3.4638 3.4701 4.5903 4.5903 4.9433 4.9433 5.0291 5.1220 8.9465 8.9465 11.2093 11.2093 11.5623 11.6192 12.4074 12.4074 13.2538 13.2538 13.5178 13.5497 k = 0.2093 0.1208 0.0854 ( 8018 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8597 -5.8547 -5.8547 -5.8517 -5.0406 -5.0406 -4.9993 -4.9993 -4.9986 -4.9870 1.0110 1.0110 3.4010 3.4699 3.4699 3.4719 4.5961 4.5961 4.9342 4.9342 5.0329 5.1283 8.7474 8.7474 11.1476 11.1476 11.5077 11.5666 12.3853 12.3853 13.2290 13.2290 13.4697 13.4947 k = 0.2209 0.1276 0.0902 ( 8030 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8597 -5.8546 -5.8546 -5.8516 -5.0402 -5.0402 -4.9994 -4.9994 -4.9982 -4.9865 1.0529 1.0529 3.4012 3.4733 3.4768 3.4768 4.6022 4.6022 4.9250 4.9250 5.0373 5.1346 8.5512 8.5512 11.0873 11.0873 11.4551 11.5157 12.3640 12.3640 13.2007 13.2007 13.4176 13.4365 k = 0.2326 0.1343 0.0949 ( 8024 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8596 -5.8544 -5.8544 -5.8515 -5.0399 -5.0399 -4.9995 -4.9995 -4.9978 -4.9859 1.0963 1.0963 3.4016 3.4745 3.4845 3.4845 4.6084 4.6084 4.9159 4.9159 5.0422 5.1409 8.3580 8.3580 11.0283 11.0283 11.4043 11.4664 12.3436 12.3436 13.1700 13.1700 13.3631 13.3765 k = 0.2442 0.1410 0.0997 ( 8036 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8596 -5.8543 -5.8543 -5.8514 -5.0396 -5.0396 -4.9997 -4.9997 -4.9974 -4.9854 1.1411 1.1411 3.4020 3.4754 3.4930 3.4930 4.6148 4.6148 4.9069 4.9069 5.0476 5.1472 8.1679 8.1679 10.9708 10.9708 11.3555 11.4188 12.3242 12.3242 13.1377 13.1377 13.3071 13.3156 k = 0.2558 0.1477 0.1044 ( 8036 PWs) bands (ev): -37.4278 -37.4278 -36.9323 -36.9323 -5.8595 -5.8541 -5.8541 -5.8513 -5.0393 -5.0393 -4.9999 -4.9999 -4.9969 -4.9849 1.1870 1.1870 3.4026 3.4761 3.5025 3.5025 4.6213 4.6213 4.8981 4.8981 5.0535 5.1534 7.9812 7.9812 10.9148 10.9148 11.3087 11.3729 12.3056 12.3056 13.1045 13.1045 13.2505 13.2547 k = 0.2674 0.1544 0.1092 ( 8051 PWs) bands (ev): -37.4278 -37.4278 -36.9324 -36.9324 -5.8594 -5.8540 -5.8540 -5.8513 -5.0390 -5.0390 -5.0000 -5.0000 -4.9963 -4.9845 1.2340 1.2340 3.4033 3.4764 3.5132 3.5132 4.6278 4.6278 4.8895 4.8895 5.0599 5.1596 7.7981 7.7981 10.8603 10.8603 11.2639 11.3287 12.2880 12.2880 13.0710 13.0710 13.1940 13.1944 k = 0.2791 0.1611 0.1139 ( 8045 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8593 -5.8538 -5.8538 -5.8512 -5.0387 -5.0387 -5.0002 -5.0002 -4.9958 -4.9840 1.2817 1.2817 3.4040 3.4764 3.5251 3.5251 4.6342 4.6342 4.8812 4.8812 5.0667 5.1657 7.6186 7.6186 10.8076 10.8076 11.2212 11.2861 12.2713 12.2713 13.0377 13.0377 13.1352 13.1381 k = 0.2907 0.1678 0.1187 ( 8045 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8592 -5.8537 -5.8537 -5.8512 -5.0383 -5.0383 -5.0003 -5.0003 -4.9952 -4.9836 1.3300 1.3300 3.4049 3.4761 3.5384 3.5384 4.6405 4.6405 4.8734 4.8734 5.0739 5.1716 7.4430 7.4430 10.7567 10.7567 11.1805 11.2453 12.2556 12.2556 13.0049 13.0049 13.0776 13.0833 k = 0.3023 0.1745 0.1234 ( 8042 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8590 -5.8535 -5.8535 -5.8513 -5.0380 -5.0380 -5.0005 -5.0005 -4.9946 -4.9833 1.3786 1.3786 3.4059 3.4755 3.5532 3.5532 4.6465 4.6465 4.8660 4.8660 5.0814 5.1773 7.2715 7.2715 10.7076 10.7076 11.1418 11.2062 12.2408 12.2408 12.9730 12.9730 13.0219 13.0300 k = 0.3140 0.1813 0.1282 ( 8045 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8589 -5.8534 -5.8534 -5.8513 -5.0377 -5.0377 -5.0006 -5.0006 -4.9940 -4.9830 1.4271 1.4271 3.4069 3.4746 3.5697 3.5697 4.6522 4.6522 4.8591 4.8591 5.0893 5.1828 7.1043 7.1043 10.6606 10.6606 11.1054 11.1688 12.2270 12.2270 12.9421 12.9421 12.9684 12.9785 k = 0.3256 0.1880 0.1329 ( 8045 PWs) bands (ev): -37.4277 -37.4277 -36.9324 -36.9324 -5.8587 -5.8533 -5.8533 -5.8514 -5.0374 -5.0374 -5.0008 -5.0008 -4.9934 -4.9827 1.4753 1.4753 3.4081 3.4735 3.5880 3.5880 4.6574 4.6574 4.8528 4.8528 5.0974 5.1880 6.9416 6.9416 10.6156 10.6156 11.0710 11.1332 12.2141 12.2141 12.9126 12.9126 12.9174 12.9290 k = 0.3372 0.1947 0.1377 ( 8039 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8585 -5.8531 -5.8531 -5.8515 -5.0372 -5.0372 -5.0009 -5.0009 -4.9927 -4.9825 1.5229 1.5229 3.4094 3.4721 3.6083 3.6083 4.6621 4.6621 4.8471 4.8471 5.1056 5.1929 6.7838 6.7838 10.5729 10.5729 11.0389 11.0994 12.2021 12.2021 12.8691 12.8818 12.8846 12.8846 k = 0.3488 0.2014 0.1424 ( 8039 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8582 -5.8530 -5.8530 -5.8516 -5.0369 -5.0369 -5.0011 -5.0011 -4.9921 -4.9823 1.5694 1.5694 3.4107 3.4705 3.6306 3.6306 4.6663 4.6663 4.8421 4.8421 5.1140 5.1974 6.6311 6.6311 10.5325 10.5325 11.0090 11.0674 12.1910 12.1910 12.8236 12.8372 12.8581 12.8581 k = 0.3605 0.2081 0.1472 ( 8033 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8580 -5.8529 -5.8529 -5.8517 -5.0366 -5.0366 -5.0012 -5.0012 -4.9914 -4.9822 1.6145 1.6145 3.4122 3.4686 3.6550 3.6550 4.6697 4.6697 4.8376 4.8376 5.1225 5.2014 6.4841 6.4841 10.4945 10.4945 10.9813 11.0372 12.1808 12.1808 12.7812 12.7952 12.8334 12.8334 k = 0.3721 0.2148 0.1519 ( 8027 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8578 -5.8528 -5.8528 -5.8519 -5.0364 -5.0364 -5.0014 -5.0014 -4.9907 -4.9821 1.6579 1.6579 3.4138 3.4666 3.6816 3.6816 4.6726 4.6726 4.8337 4.8337 5.1309 5.2050 6.3430 6.3430 10.4591 10.4591 10.9560 11.0089 12.1715 12.1715 12.7419 12.7560 12.8105 12.8105 k = 0.3837 0.2215 0.1567 ( 8036 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8575 -5.8527 -5.8527 -5.8520 -5.0362 -5.0362 -5.0015 -5.0015 -4.9901 -4.9821 1.6991 1.6991 3.4155 3.4644 3.7102 3.7102 4.6748 4.6748 4.8302 4.8302 5.1393 5.2081 6.2086 6.2086 10.4263 10.4263 10.9330 10.9826 12.1630 12.1630 12.7058 12.7197 12.7894 12.7894 k = 0.3953 0.2283 0.1614 ( 8026 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8572 -5.8526 -5.8526 -5.8522 -5.0360 -5.0360 -5.0016 -5.0016 -4.9894 -4.9821 1.7377 1.7377 3.4173 3.4620 3.7407 3.7407 4.6764 4.6764 4.8270 4.8270 5.1475 5.2106 6.0815 6.0815 10.3963 10.3963 10.9124 10.9583 12.1554 12.1554 12.6731 12.6865 12.7702 12.7702 k = 0.4070 0.2350 0.1661 ( 8038 PWs) bands (ev): -37.4276 -37.4276 -36.9324 -36.9324 -5.8569 -5.8525 -5.8525 -5.8524 -5.0358 -5.0358 -5.0017 -5.0017 -4.9888 -4.9822 1.7735 1.7735 3.4192 3.4596 3.7728 3.7728 4.6776 4.6776 4.8238 4.8238 5.1555 5.2126 5.9624 5.9624 10.3692 10.3692 10.8942 10.9360 12.1486 12.1486 12.6438 12.6565 12.7530 12.7530 k = 0.4186 0.2417 0.1709 ( 8044 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8566 -5.8526 -5.8524 -5.8524 -5.0356 -5.0356 -5.0018 -5.0018 -4.9881 -4.9823 1.8059 1.8059 3.4212 3.4570 3.8059 3.8059 4.6783 4.6783 4.8205 4.8205 5.1632 5.2139 5.8525 5.8525 10.3450 10.3450 10.8784 10.9158 12.1426 12.1426 12.6180 12.6296 12.7378 12.7378 k = 0.4302 0.2484 0.1756 ( 8038 PWs) bands (ev): -37.4276 -37.4276 -36.9325 -36.9325 -5.8563 -5.8529 -5.8524 -5.8524 -5.0355 -5.0355 -5.0019 -5.0019 -4.9875 -4.9825 1.8347 1.8347 3.4233 3.4543 3.8392 3.8392 4.6788 4.6788 4.8169 4.8169 5.1705 5.2146 5.7529 5.7529 10.3239 10.3239 10.8651 10.8977 12.1374 12.1374 12.5956 12.6061 12.7246 12.7246 k = 0.4419 0.2551 0.1804 ( 8044 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8560 -5.8531 -5.8523 -5.8523 -5.0353 -5.0353 -5.0020 -5.0020 -4.9869 -4.9827 1.8595 1.8595 3.4255 3.4516 3.8716 3.8716 4.6791 4.6791 4.8129 4.8129 5.1774 5.2146 5.6648 5.6648 10.3059 10.3059 10.8542 10.8819 12.1331 12.1331 12.5769 12.5859 12.7134 12.7134 k = 0.4535 0.2618 0.1851 ( 8026 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8557 -5.8534 -5.8523 -5.8523 -5.0352 -5.0352 -5.0020 -5.0020 -4.9864 -4.9829 1.8802 1.8802 3.4278 3.4489 3.9018 3.9018 4.6793 4.6793 4.8085 4.8085 5.1839 5.2139 5.5900 5.5900 10.2910 10.2910 10.8459 10.8683 12.1295 12.1295 12.5617 12.5691 12.7042 12.7042 k = 0.4651 0.2685 0.1899 ( 8044 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8554 -5.8537 -5.8522 -5.8522 -5.0351 -5.0351 -5.0021 -5.0021 -4.9858 -4.9832 1.8965 1.8965 3.4303 3.4461 3.9282 3.9282 4.6795 4.6795 4.8040 4.8040 5.1899 5.2125 5.5297 5.5297 10.2794 10.2794 10.8401 10.8570 12.1268 12.1268 12.5501 12.5558 12.6970 12.6970 k = 0.4767 0.2752 0.1946 ( 8044 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8551 -5.8539 -5.8522 -5.8522 -5.0351 -5.0351 -5.0021 -5.0021 -4.9853 -4.9835 1.9083 1.9083 3.4328 3.4434 3.9488 3.9488 4.6796 4.6796 4.7999 4.7999 5.1952 5.2104 5.4856 5.4856 10.2711 10.2711 10.8367 10.8481 12.1248 12.1248 12.5421 12.5459 12.6919 12.6919 k = 0.4884 0.2820 0.1994 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8548 -5.8542 -5.8522 -5.8522 -5.0350 -5.0350 -5.0021 -5.0021 -4.9848 -4.9839 1.9154 1.9154 3.4353 3.4407 3.9621 3.9621 4.6798 4.6798 4.7970 4.7970 5.2000 5.2076 5.4586 5.4586 10.2661 10.2661 10.8359 10.8416 12.1236 12.1236 12.5377 12.5396 12.6889 12.6889 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8545 -5.8545 -5.8522 -5.8522 -5.0350 -5.0350 -5.0021 -5.0021 -4.9843 -4.9843 1.9178 1.9178 3.4380 3.4380 3.9666 3.9666 4.6798 4.6798 4.7960 4.7960 5.2041 5.2041 5.4495 5.4495 10.2644 10.2644 10.8375 10.8375 12.1233 12.1233 12.5369 12.5369 12.6878 12.6878 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8545 -5.8545 -5.8522 -5.8522 -5.0350 -5.0350 -5.0021 -5.0021 -4.9843 -4.9843 1.9178 1.9178 3.4380 3.4380 3.9666 3.9666 4.6798 4.6798 4.7960 4.7960 5.2041 5.2041 5.4495 5.4495 10.2644 10.2644 10.8375 10.8375 12.1233 12.1233 12.5369 12.5369 12.6878 12.6878 k = 0.5042 0.2766 0.2109 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8546 -5.8546 -5.8522 -5.8521 -5.0351 -5.0349 -5.0022 -5.0020 -4.9843 -4.9843 1.9175 1.9204 3.4381 3.4381 3.9616 3.9709 4.6790 4.6808 4.7892 4.8028 5.2050 5.2050 5.4416 5.4580 10.2447 10.2569 10.8187 10.8191 12.1353 12.1451 12.5429 12.5431 12.6935 12.7048 k = 0.5083 0.2646 0.2177 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8547 -5.8547 -5.8521 -5.8519 -5.0352 -5.0348 -5.0023 -5.0019 -4.9843 -4.9843 1.9196 1.9254 3.4386 3.4387 3.9557 3.9744 4.6783 4.6820 4.7826 4.8097 5.2073 5.2078 5.4342 5.4672 10.1977 10.2227 10.7657 10.7687 12.1762 12.1925 12.5620 12.5638 12.7224 12.7449 k = 0.5125 0.2526 0.2245 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8548 -5.8548 -5.8520 -5.8517 -5.0352 -5.0347 -5.0024 -5.0017 -4.9844 -4.9843 1.9240 1.9328 3.4394 3.4397 3.9491 3.9772 4.6779 4.6832 4.7762 4.8166 5.2108 5.2126 5.4271 5.4774 10.1248 10.1631 10.6882 10.6966 12.2305 12.2478 12.5983 12.6045 12.7755 12.8083 k = 0.5167 0.2406 0.2313 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8550 -5.8550 -5.8518 -5.8514 -5.0353 -5.0346 -5.0025 -5.0015 -4.9844 -4.9843 1.9307 1.9425 3.4403 3.4411 3.9417 3.9794 4.6776 4.6841 4.7703 4.8235 5.2153 5.2195 5.4203 5.4888 10.0285 10.0804 10.5964 10.6119 12.2801 12.2927 12.6578 12.6709 12.8534 12.8950 k = 0.5208 0.2285 0.2381 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8552 -5.8552 -5.8516 -5.8511 -5.0353 -5.0345 -5.0025 -5.0013 -4.9844 -4.9843 1.9397 1.9545 3.4415 3.4431 3.9336 3.9810 4.6775 4.6845 4.7652 4.8304 5.2205 5.2285 5.4137 5.5016 9.9125 9.9771 10.4979 10.5210 12.3141 12.3194 12.7421 12.7611 12.9556 13.0036 k = 0.5250 0.2165 0.2449 ( 8061 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8554 -5.8553 -5.8514 -5.8508 -5.0353 -5.0344 -5.0025 -5.0011 -4.9844 -4.9842 1.9509 1.9688 3.4428 3.4455 3.9248 3.9821 4.6776 4.6838 4.7614 4.8373 5.2259 5.2397 5.4073 5.5161 9.7811 9.8569 10.3973 10.4271 12.3310 12.3325 12.8459 12.8669 13.0799 13.1314 k = 0.5292 0.2045 0.2518 ( 8057 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8557 -5.8555 -5.8512 -5.8504 -5.0353 -5.0342 -5.0026 -5.0008 -4.9845 -4.9842 1.9642 1.9853 3.4442 3.4486 3.9155 3.9829 4.6779 4.6813 4.7596 4.8440 5.2314 5.2527 5.4013 5.5324 9.6383 9.7236 10.2964 10.3318 12.3327 12.3395 12.9622 12.9818 13.2214 13.2746 k = 0.5333 0.1925 0.2586 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8559 -5.8557 -5.8510 -5.8501 -5.0353 -5.0341 -5.0026 -5.0005 -4.9845 -4.9841 1.9796 2.0040 3.4457 3.4523 3.9056 3.9834 4.6766 4.6784 4.7602 4.8507 5.2367 5.2674 5.3960 5.5508 9.4876 9.5810 10.1961 10.2358 12.3283 12.3393 13.0868 13.1031 13.3746 13.4290 k = 0.5375 0.1804 0.2654 ( 8063 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8561 -5.8558 -5.8508 -5.8497 -5.0352 -5.0340 -5.0026 -5.0002 -4.9846 -4.9840 1.9969 2.0247 3.4472 3.4566 3.8952 3.9839 4.6695 4.6792 4.7634 4.8572 5.2415 5.2829 5.3919 5.5713 9.3320 9.4321 10.0966 10.1395 12.3202 12.3344 13.2174 13.2299 13.5344 13.5901 k = 0.5417 0.1684 0.2722 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8563 -5.8560 -5.8506 -5.8493 -5.0352 -5.0339 -5.0026 -4.9999 -4.9847 -4.9839 2.0162 2.0474 3.4486 3.4616 3.8845 3.9845 4.6603 4.6803 4.7688 4.8636 5.2456 5.2979 5.3903 5.5941 9.1735 9.2794 9.9978 10.0432 12.3095 12.3264 13.3530 13.3619 13.6967 13.7542 k = 0.5458 0.1564 0.2790 ( 8057 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8565 -5.8561 -5.8504 -5.8489 -5.0351 -5.0338 -5.0027 -4.9995 -4.9848 -4.9838 2.0372 2.0719 3.4499 3.4674 3.8734 3.9852 4.6491 4.6818 4.7764 4.8698 5.2489 5.3099 5.3935 5.6191 9.0138 9.1250 9.9000 9.9472 12.2972 12.3163 13.4930 13.4986 13.8584 13.9178 k = 0.5500 0.1443 0.2858 ( 8049 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8567 -5.8562 -5.8503 -5.8486 -5.0350 -5.0337 -5.0027 -4.9991 -4.9849 -4.9836 2.0598 2.0982 3.4510 3.4741 3.8621 3.9864 4.6364 4.6836 4.7856 4.8760 5.2514 5.3162 5.4040 5.6463 8.8543 8.9701 9.8032 9.8519 12.2839 12.3047 13.6371 13.6395 14.0165 14.0776 k = 0.5542 0.1323 0.2926 ( 8053 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8569 -5.8563 -5.8501 -5.8482 -5.0350 -5.0336 -5.0027 -4.9987 -4.9851 -4.9834 2.0839 2.1260 3.4519 3.4816 3.8505 3.9880 4.6223 4.6858 4.7964 4.8821 5.2531 5.3163 5.4222 5.6756 8.6960 8.8161 9.7076 9.7575 12.2699 12.2922 13.7843 13.7848 14.1680 14.2301 k = 0.5583 0.1203 0.2994 ( 8054 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8571 -5.8564 -5.8500 -5.8478 -5.0348 -5.0335 -5.0027 -4.9983 -4.9852 -4.9832 2.1093 2.1553 3.4526 3.4900 3.8388 3.9903 4.6070 4.6884 4.8085 4.8883 5.2538 5.3121 5.4458 5.7067 8.5399 8.6638 9.6133 9.6642 12.2557 12.2791 13.9322 13.9357 14.3098 14.3714 k = 0.5625 0.1083 0.3062 ( 8047 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8572 -5.8564 -5.8499 -5.8475 -5.0347 -5.0335 -5.0028 -4.9978 -4.9854 -4.9830 2.1359 2.1857 3.4529 3.4995 3.8271 3.9934 4.5906 4.6914 4.8218 4.8945 5.2538 5.3052 5.4728 5.7394 8.3868 8.5142 9.5207 9.5724 12.2413 12.2656 14.0826 14.0895 14.4383 14.4970 k = 0.5667 0.0962 0.3130 ( 8047 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8574 -5.8565 -5.8498 -5.8471 -5.0346 -5.0334 -5.0028 -4.9973 -4.9856 -4.9828 2.1634 2.2172 3.4528 3.5101 3.8152 3.9975 4.5732 4.6947 4.8362 4.9010 5.2530 5.2966 5.5020 5.7734 8.2374 8.3680 9.4297 9.4822 12.2271 12.2521 14.2339 14.2455 14.5497 14.6019 k = 0.5708 0.0842 0.3198 ( 8051 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8575 -5.8565 -5.8497 -5.8468 -5.0345 -5.0334 -5.0028 -4.9968 -4.9858 -4.9825 2.1916 2.2494 3.4523 3.5219 3.8034 4.0026 4.5550 4.6984 4.8518 4.9079 5.2515 5.2868 5.5325 5.8083 8.0926 8.2259 9.3408 9.3938 12.2131 12.2387 14.3830 14.4021 14.6416 14.6818 k = 0.5750 0.0722 0.3266 ( 8049 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8576 -5.8565 -5.8496 -5.8465 -5.0344 -5.0333 -5.0029 -4.9963 -4.9860 -4.9823 2.2203 2.2820 3.4514 3.5349 3.7915 4.0089 4.5359 4.7023 4.8683 4.9153 5.2494 5.2762 5.5633 5.8439 7.9532 8.0888 9.2540 9.3076 12.1996 12.2255 14.5191 14.5538 14.7201 14.7381 k = 0.5792 0.0601 0.3334 ( 8044 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8577 -5.8565 -5.8496 -5.8462 -5.0343 -5.0333 -5.0029 -4.9958 -4.9862 -4.9820 2.2492 2.3149 3.4499 3.5491 3.7798 4.0164 4.5161 4.7063 4.8858 4.9234 5.2467 5.2648 5.5940 5.8794 7.8199 7.9573 9.1695 9.2236 12.1866 12.2127 14.6110 14.6672 14.8031 14.8144 k = 0.5833 0.0481 0.3402 ( 8035 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8578 -5.8564 -5.8496 -5.8459 -5.0341 -5.0333 -5.0029 -4.9952 -4.9864 -4.9817 2.2780 2.3476 3.4480 3.5646 3.7681 4.0252 4.4958 4.7102 4.9043 4.9324 5.2436 5.2529 5.6238 5.9143 7.6939 7.8324 9.0876 9.1420 12.1741 12.2004 14.6363 14.6864 14.9359 14.9487 k = 0.5875 0.0361 0.3470 ( 8046 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8578 -5.8564 -5.8496 -5.8456 -5.0340 -5.0333 -5.0030 -4.9947 -4.9867 -4.9814 2.3065 2.3798 3.4456 3.5812 3.7566 4.0352 4.4750 4.7140 4.9237 4.9425 5.2401 5.2405 5.6518 5.9479 7.5762 7.7150 9.0083 9.0630 12.1623 12.1887 14.6176 14.6555 15.0972 15.1048 k = 0.5917 0.0241 0.3538 ( 8052 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8579 -5.8563 -5.8496 -5.8454 -5.0339 -5.0333 -5.0030 -4.9941 -4.9869 -4.9811 2.3343 2.4111 3.4426 3.5989 3.7455 4.0465 4.4539 4.7172 4.9440 4.9539 5.2276 5.2363 5.6772 5.9793 7.4680 7.6065 8.9319 8.9869 12.1513 12.1776 14.5733 14.6013 15.2659 15.2694 k = 0.5958 0.0120 0.3606 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8579 -5.8562 -5.8496 -5.8452 -5.0338 -5.0333 -5.0031 -4.9936 -4.9871 -4.9809 2.3612 2.4412 3.4392 3.6171 3.7350 4.0588 4.4329 4.7197 4.9651 4.9671 5.2145 5.2323 5.6991 6.0072 7.3706 7.5080 8.8586 8.9137 12.1410 12.1673 14.5125 14.5327 15.4379 15.4381 k = 0.6000 0.0000 0.3674 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8580 -5.8561 -5.8497 -5.8450 -5.0337 -5.0334 -5.0031 -4.9931 -4.9873 -4.9806 2.3867 2.4696 3.4354 3.6349 3.7257 4.0719 4.4123 4.7211 4.9821 4.9870 5.2012 5.2283 5.7166 6.0306 7.2853 7.4212 8.7884 8.8437 12.1316 12.1577 14.4406 14.4544 15.6086 15.6116 k = 0.6042-0.0120 0.3742 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8580 -5.8560 -5.8497 -5.8448 -5.0336 -5.0334 -5.0031 -4.9926 -4.9875 -4.9803 2.4106 2.4961 3.4311 3.6503 3.7196 4.0857 4.3924 4.7211 4.9994 5.0097 5.1880 5.2243 5.7287 6.0479 7.2135 7.3476 8.7217 8.7769 12.1229 12.1489 14.3612 14.3696 15.7796 15.7859 k = 0.6083-0.0241 0.3810 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8580 -5.8559 -5.8498 -5.8447 -5.0336 -5.0334 -5.0031 -4.9922 -4.9876 -4.9801 2.4325 2.5201 3.4265 3.6589 3.7202 4.0996 4.3739 4.7193 5.0191 5.0329 5.1750 5.2206 5.7350 6.0580 7.1563 7.2888 8.6586 8.7137 12.1152 12.1409 14.2769 14.2807 15.9490 15.9595 k = 0.6125-0.0361 0.3878 ( 8067 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8580 -5.8558 -5.8499 -5.8445 -5.0335 -5.0335 -5.0031 -4.9919 -4.9876 -4.9799 2.4521 2.5414 3.4217 3.6580 3.7297 4.1133 4.3575 4.7154 5.0415 5.0563 5.1626 5.2175 5.7351 6.0600 7.1143 7.2460 8.5992 8.6542 12.1083 12.1338 14.1892 14.1895 16.1138 16.1298 k = 0.6167-0.0481 0.3946 ( 8069 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8557 -5.8500 -5.8445 -5.0335 -5.0335 -5.0031 -4.9918 -4.9875 -4.9797 2.4690 2.5596 3.4166 3.6505 3.7444 4.1261 4.3439 4.7091 5.0664 5.0794 5.1513 5.2156 5.7298 6.0536 7.0878 7.2198 8.5438 8.5985 12.1023 12.1276 14.0964 14.1002 16.2682 16.2919 k = 0.6208-0.0601 0.4014 ( 8065 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8556 -5.8502 -5.8444 -5.0336 -5.0334 -5.0031 -4.9917 -4.9873 -4.9796 2.4830 2.5743 3.4114 3.6396 3.7597 4.1373 4.3342 4.7005 5.0926 5.1010 5.1425 5.2159 5.7200 6.0394 7.0762 7.2099 8.4925 8.5469 12.0972 12.1223 14.0030 14.0101 16.4019 16.4346 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.6181-0.0682 0.4196 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8443 -5.0337 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4940 2.5860 3.4069 3.6271 3.7728 4.1463 4.3294 4.6896 5.1062 5.1179 5.1502 5.2203 5.7091 6.0194 7.0786 7.2161 8.4393 8.4948 12.1017 12.1269 13.9095 13.9195 16.4656 16.5248 k = 0.6111-0.0642 0.4309 ( 8070 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8504 -5.8443 -5.0338 -5.0333 -5.0031 -4.9917 -4.9870 -4.9795 2.4947 2.5880 3.4091 3.6274 3.7713 4.1463 4.3300 4.6895 5.0925 5.1172 5.1607 5.2213 5.7130 6.0200 7.0787 7.2187 8.4212 8.4807 12.1276 12.1538 13.9085 13.9185 16.3917 16.4740 k = 0.6042-0.0601 0.4423 ( 8074 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8504 -5.8442 -5.0338 -5.0332 -5.0031 -4.9916 -4.9870 -4.9796 2.4959 2.5911 3.4128 3.6277 3.7690 4.1463 4.3311 4.6893 5.0764 5.1169 5.1691 5.2242 5.7193 6.0209 7.0788 7.2229 8.3923 8.4574 12.1704 12.1977 13.9069 13.9166 16.2995 16.3920 k = 0.5972-0.0561 0.4536 ( 8070 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8506 -5.8441 -5.0339 -5.0331 -5.0032 -4.9914 -4.9870 -4.9797 2.4975 2.5954 3.4179 3.6282 3.7657 4.1463 4.3327 4.6889 5.0596 5.1166 5.1732 5.2305 5.7279 6.0220 7.0789 7.2287 8.3541 8.4254 12.2290 12.2573 13.9043 13.9142 16.1982 16.2938 k = 0.5903-0.0521 0.4649 ( 8071 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8507 -5.8439 -5.0340 -5.0330 -5.0032 -4.9912 -4.9870 -4.9799 2.4996 2.6008 3.4245 3.6288 3.7615 4.1462 4.3350 4.6884 5.0426 5.1162 5.1728 5.2400 5.7385 6.0234 7.0790 7.2362 8.3086 8.3857 12.3024 12.3312 13.9005 13.9111 16.0926 16.1883 k = 0.5833-0.0481 0.4763 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8555 -5.8508 -5.8438 -5.0340 -5.0329 -5.0033 -4.9910 -4.9870 -4.9800 2.5021 2.6069 3.4325 3.6295 3.7565 4.1459 4.3379 4.6877 5.0256 5.1157 5.1693 5.2514 5.7508 6.0248 7.0788 7.2451 8.2575 8.3395 12.3891 12.4176 13.8953 13.9074 15.9855 16.0803 k = 0.5764-0.0441 0.4876 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8554 -5.8510 -5.8436 -5.0341 -5.0328 -5.0034 -4.9907 -4.9870 -4.9802 2.5050 2.6138 3.4420 3.6302 3.7506 4.1454 4.3417 4.6867 5.0088 5.1151 5.1641 5.2634 5.7645 6.0262 7.0783 7.2555 8.2029 8.2882 12.4875 12.5148 13.8884 13.9031 15.8787 15.9726 k = 0.5694-0.0401 0.4990 ( 8059 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8511 -5.8434 -5.0341 -5.0327 -5.0034 -4.9905 -4.9870 -4.9805 2.5083 2.6212 3.4529 3.6309 3.7439 4.1445 4.3462 4.6856 4.9923 5.1143 5.1580 5.2754 5.7793 6.0273 7.0773 7.2671 8.1465 8.2334 12.5958 12.6209 13.8797 13.8978 15.7737 15.8669 k = 0.5625-0.0361 0.5103 ( 8057 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8513 -5.8433 -5.0342 -5.0326 -5.0035 -4.9902 -4.9870 -4.9807 2.5118 2.6289 3.4651 3.6316 3.7365 4.1434 4.3515 4.6842 4.9762 5.1133 5.1515 5.2869 5.7950 6.0279 7.0757 7.2797 8.0902 8.1766 12.7123 12.7340 13.8689 13.8913 15.6716 15.7645 k = 0.5556-0.0321 0.5217 ( 8055 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8514 -5.8431 -5.0342 -5.0325 -5.0035 -4.9899 -4.9869 -4.9809 2.5156 2.6366 3.4785 3.6322 3.7284 4.1420 4.3574 4.6828 4.9606 5.1120 5.1453 5.2975 5.8112 6.0280 7.0732 7.2932 8.0357 8.1194 12.8348 12.8522 13.8560 13.8834 15.5738 15.6667 k = 0.5486-0.0281 0.5330 ( 8053 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8516 -5.8430 -5.0343 -5.0324 -5.0036 -4.9896 -4.9869 -4.9812 2.5194 2.6443 3.4930 3.6328 3.7197 4.1402 4.3639 4.6814 4.9457 5.1104 5.1394 5.3072 5.8276 6.0272 7.0698 7.3072 7.9847 8.0634 12.9610 12.9733 13.8406 13.8738 15.4814 15.5748 k = 0.5417-0.0241 0.5443 ( 8059 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8517 -5.8428 -5.0343 -5.0323 -5.0037 -4.9893 -4.9869 -4.9814 2.5232 2.6517 3.5084 3.6332 3.7106 4.1382 4.3706 4.6802 4.9316 5.1086 5.1342 5.3156 5.8439 6.0254 7.0654 7.3211 7.9386 8.0101 13.0874 13.0957 13.8226 13.8623 15.3962 15.4903 k = 0.5347-0.0200 0.5557 ( 8057 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8554 -5.8518 -5.8427 -5.0343 -5.0323 -5.0037 -4.9891 -4.9869 -4.9817 2.5268 2.6584 3.5242 3.6334 3.7012 4.1361 4.3772 4.6794 4.9185 5.1067 5.1296 5.3228 5.8598 6.0226 7.0600 7.3344 7.8988 7.9612 13.2082 13.2190 13.8019 13.8485 15.3200 15.4151 k = 0.5278-0.0160 0.5670 ( 8063 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8426 -5.0343 -5.0322 -5.0037 -4.9888 -4.9869 -4.9819 2.5302 2.6645 3.5399 3.6335 3.6919 4.1340 4.3834 4.6790 4.9066 5.1050 5.1257 5.3287 5.8748 6.0186 7.0541 7.3464 7.8660 7.9182 13.3200 13.3389 13.7785 13.8326 15.2553 15.3513 k = 0.5208-0.0120 0.5784 ( 8061 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8426 -5.0343 -5.0322 -5.0038 -4.9886 -4.9869 -4.9821 2.5331 2.6695 3.5547 3.6336 3.6829 4.1319 4.3887 4.6792 4.8965 5.1038 5.1221 5.3332 5.8883 6.0138 7.0481 7.3562 7.8411 7.8826 13.4200 13.4481 13.7531 13.8148 15.2049 15.3011 k = 0.5139-0.0080 0.5897 ( 8052 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8425 -5.0343 -5.0321 -5.0038 -4.9884 -4.9870 -4.9822 2.5353 2.6734 3.5672 3.6339 3.6750 4.1302 4.3927 4.6797 4.8886 5.1034 5.1189 5.3363 5.8994 6.0088 7.0426 7.3633 7.8241 7.8559 13.5033 13.5382 13.7277 13.7964 15.1715 15.2661 k = 0.5069-0.0040 0.6010 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8425 -5.0343 -5.0321 -5.0038 -4.9882 -4.9871 -4.9823 2.5368 2.6758 3.5756 3.6347 3.6691 4.1291 4.3952 4.6804 4.8834 5.1038 5.1161 5.3381 5.9071 6.0047 7.0387 7.3673 7.8148 7.8393 13.5638 13.5943 13.7095 13.7810 15.1560 15.2459 k = 0.5000 0.0000 0.6124 ( 8088 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8424 -5.0343 -5.0321 -5.0038 -4.9881 -4.9871 -4.9823 2.5374 2.6767 3.5785 3.6353 3.6669 4.1286 4.3960 4.6808 4.8816 5.1044 5.1147 5.3386 5.9098 6.0031 7.0372 7.3684 7.8121 7.8335 13.5914 13.6044 13.7064 13.7751 15.1535 15.2394 k = 0.5000 0.0000 0.6124 ( 8088 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8424 -5.0343 -5.0321 -5.0038 -4.9881 -4.9871 -4.9823 2.5374 2.6767 3.5785 3.6353 3.6669 4.1286 4.3960 4.6808 4.8816 5.1044 5.1147 5.3386 5.9098 6.0031 7.0372 7.3684 7.8121 7.8335 13.5914 13.6044 13.7064 13.7751 15.1535 15.2394 k = 0.5000 0.0082 0.6007 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8520 -5.8425 -5.0343 -5.0321 -5.0038 -4.9882 -4.9870 -4.9823 2.5360 2.6749 3.5773 3.6350 3.6671 4.1289 4.3946 4.6815 4.8825 5.1023 5.1169 5.3371 5.9062 6.0085 7.0378 7.3645 7.8180 7.8453 13.5587 13.5996 13.7190 13.7961 15.1368 15.2335 k = 0.5000 0.0165 0.5890 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8554 -5.8519 -5.8425 -5.0343 -5.0321 -5.0038 -4.9885 -4.9869 -4.9823 2.5317 2.6694 3.5741 3.6337 3.6683 4.1296 4.3909 4.6834 4.8850 5.0986 5.1207 5.3325 5.8976 6.0220 7.0400 7.3545 7.8371 7.8776 13.5082 13.5616 13.7536 13.8380 15.0996 15.2114 k = 0.5000 0.0247 0.5774 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8555 -5.8518 -5.8426 -5.0343 -5.0322 -5.0038 -4.9888 -4.9867 -4.9823 2.5247 2.6602 3.5691 3.6304 3.6709 4.1300 4.3860 4.6861 4.8885 5.0955 5.1240 5.3256 5.8872 6.0389 7.0454 7.3426 7.8693 7.9255 13.4534 13.5101 13.7932 13.8832 15.0581 15.1780 k = 0.5000 0.0330 0.5657 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8557 -5.8517 -5.8427 -5.0343 -5.0322 -5.0037 -4.9892 -4.9865 -4.9823 2.5150 2.6477 3.5630 3.6250 3.6753 4.1292 4.3818 4.6891 4.8919 5.0940 5.1261 5.3170 5.8764 6.0555 7.0558 7.3332 7.9132 7.9855 13.3971 13.4544 13.8292 13.9257 15.0203 15.1429 k = 0.5000 0.0412 0.5541 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8558 -5.8515 -5.8428 -5.0343 -5.0323 -5.0037 -4.9897 -4.9864 -4.9823 2.5026 2.6317 3.5562 3.6176 3.6812 4.1263 4.3798 4.6921 4.8942 5.0944 5.1266 5.3078 5.8653 6.0692 7.0733 7.3302 7.9671 8.0546 13.3404 13.3975 13.8581 13.9624 14.9906 15.1125 k = 0.5000 0.0495 0.5424 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8560 -5.8513 -5.8430 -5.0342 -5.0323 -5.0037 -4.9901 -4.9862 -4.9823 2.4877 2.6126 3.5489 3.6089 3.6881 4.1207 4.3812 4.6948 4.8946 5.0963 5.1257 5.2989 5.8534 6.0780 7.0998 7.3369 8.0296 8.1309 13.2839 13.3404 13.8773 13.9908 14.9720 15.0908 k = 0.5000 0.0577 0.5307 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8575 -5.8561 -5.8512 -5.8431 -5.0342 -5.0324 -5.0036 -4.9906 -4.9861 -4.9823 2.4704 2.5907 3.5414 3.5994 3.6959 4.1124 4.3866 4.6972 4.8926 5.0975 5.1252 5.2913 5.8397 6.0805 7.1364 7.3552 8.0993 8.2128 13.2281 13.2837 13.8851 14.0090 14.9663 15.0803 k = 0.5000 0.0660 0.5191 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8575 -5.8563 -5.8510 -5.8433 -5.0342 -5.0325 -5.0036 -4.9912 -4.9859 -4.9824 2.4510 2.5661 3.5340 3.5893 3.7042 4.1018 4.3957 4.6993 4.8884 5.0944 5.1285 5.2855 5.8236 6.0762 7.1838 7.3868 8.1752 8.2994 13.1731 13.2278 13.8807 14.0157 14.9745 15.0826 k = 0.5000 0.0742 0.5074 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8575 -5.8564 -5.8508 -5.8436 -5.0342 -5.0326 -5.0035 -4.9917 -4.9858 -4.9824 2.4295 2.5391 3.5266 3.5791 3.7131 4.0897 4.4080 4.7010 4.8820 5.0857 5.1363 5.2818 5.8046 6.0652 7.2419 7.4321 8.2563 8.3900 13.1192 13.1728 13.8643 14.0106 14.9958 15.0980 k = 0.5000 0.0825 0.4957 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8574 -5.8565 -5.8507 -5.8438 -5.0341 -5.0327 -5.0034 -4.9923 -4.9857 -4.9825 2.4062 2.5102 3.5195 3.5688 3.7223 4.0770 4.4226 4.7024 4.8740 5.0735 5.1468 5.2800 5.7825 6.0480 7.3105 7.4910 8.3420 8.4839 13.0666 13.1190 13.8370 13.9943 15.0286 15.1256 k = 0.5000 0.0907 0.4841 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8574 -5.8567 -5.8505 -5.8441 -5.0341 -5.0328 -5.0034 -4.9928 -4.9856 -4.9825 2.3814 2.4796 3.5128 3.5586 3.7319 4.0642 4.4389 4.7035 4.8648 5.0591 5.1584 5.2799 5.7575 6.0256 7.3890 7.5629 8.4316 8.5808 13.0154 13.0665 13.8005 13.9681 15.0707 15.1636 k = 0.5000 0.0990 0.4724 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8574 -5.8568 -5.8504 -5.8444 -5.0341 -5.0329 -5.0033 -4.9934 -4.9855 -4.9826 2.3553 2.4476 3.5064 3.5487 3.7418 4.0519 4.4564 4.7044 4.8548 5.0435 5.1704 5.2811 5.7299 5.9989 7.4768 7.6466 8.5247 8.6801 12.9657 13.0153 13.7565 13.9336 15.1192 15.2097 k = 0.5000 0.1072 0.4607 ( 8066 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8573 -5.8569 -5.8503 -5.8447 -5.0342 -5.0330 -5.0032 -4.9940 -4.9854 -4.9827 2.3282 2.4147 3.5004 3.5390 3.7521 4.0405 4.4744 4.7051 4.8444 5.0274 5.1821 5.2835 5.7002 5.9689 7.5734 7.7409 8.6208 8.7817 12.9176 12.9655 13.7067 13.8924 15.1713 15.2613 k = 0.5000 0.1155 0.4491 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8572 -5.8569 -5.8502 -5.8450 -5.0342 -5.0331 -5.0032 -4.9946 -4.9853 -4.9828 2.3003 2.3811 3.4947 3.5297 3.7626 4.0301 4.4926 4.7056 4.8337 5.0112 5.1933 5.2867 5.6689 5.9365 7.6781 7.8445 8.7197 8.8852 12.8711 12.9172 13.6523 13.8459 15.2235 15.3153 k = 0.5000 0.1237 0.4374 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8572 -5.8570 -5.8501 -5.8454 -5.0343 -5.0332 -5.0031 -4.9951 -4.9852 -4.9830 2.2719 2.3472 3.4895 3.5208 3.7733 4.0209 4.5108 4.7060 4.8230 4.9952 5.2036 5.2907 5.6365 5.9026 7.7904 7.9562 8.8209 8.9903 12.8263 12.8705 13.5945 13.7953 15.2719 15.3686 k = 0.5000 0.1320 0.4257 ( 8050 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8571 -5.8570 -5.8501 -5.8457 -5.0344 -5.0332 -5.0030 -4.9957 -4.9852 -4.9831 2.2433 2.3132 3.4846 3.5124 3.7842 4.0129 4.5287 4.7061 4.8125 4.9797 5.2128 5.2954 5.6035 5.8679 7.9096 8.0751 8.9242 9.0969 12.7834 12.8253 13.5340 13.7414 15.3100 15.4169 k = 0.5000 0.1402 0.4141 ( 8052 PWs) bands (ev): -37.4275 -37.4274 -36.9325 -36.9325 -5.8570 -5.8570 -5.8501 -5.8461 -5.0344 -5.0333 -5.0030 -4.9963 -4.9851 -4.9832 2.2147 2.2795 3.4800 3.5043 3.7954 4.0061 4.5462 4.7061 4.8024 4.9647 5.2208 5.3006 5.5705 5.8330 8.0351 8.2002 9.0294 9.2045 12.7422 12.7817 13.4715 13.6848 15.3189 15.4357 k = 0.5000 0.1485 0.4024 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8570 -5.8569 -5.8501 -5.8465 -5.0345 -5.0334 -5.0029 -4.9968 -4.9850 -4.9833 2.1864 2.2463 3.4758 3.4968 3.8067 4.0005 4.5630 4.7059 4.7929 4.9503 5.2275 5.3062 5.5379 5.7983 8.1663 8.3308 9.1361 9.3130 12.7029 12.7398 13.4075 13.6259 15.2149 15.3285 k = 0.5000 0.1567 0.3908 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8569 -5.8568 -5.8501 -5.8469 -5.0347 -5.0334 -5.0029 -4.9973 -4.9849 -4.9835 2.1586 2.2138 3.4718 3.4897 3.8180 3.9959 4.5791 4.7055 4.7840 4.9367 5.2329 5.3119 5.5062 5.7643 8.3026 8.4660 9.2443 9.4221 12.6656 12.6995 13.3422 13.5652 15.0207 15.1834 k = 0.5000 0.1650 0.3791 ( 8058 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8569 -5.8567 -5.8501 -5.8473 -5.0348 -5.0335 -5.0028 -4.9978 -4.9848 -4.9836 2.1315 2.1822 3.4680 3.4831 3.8295 3.9923 4.5943 4.7048 4.7759 4.9238 5.2369 5.3174 5.4760 5.7313 8.4434 8.6052 9.3535 9.5314 12.6301 12.6609 13.2760 13.5027 14.8134 14.9920 k = 0.5000 0.1732 0.3674 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8568 -5.8566 -5.8502 -5.8477 -5.0349 -5.0336 -5.0028 -4.9983 -4.9848 -4.9837 2.1055 2.1519 3.4645 3.4769 3.8409 3.9896 4.6086 4.7037 4.7688 4.9117 5.2396 5.3220 5.4481 5.6997 8.5882 8.7476 9.4637 9.6406 12.5965 12.6239 13.2092 13.4385 14.6029 14.7864 k = 0.5000 0.1815 0.3558 ( 8054 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8567 -5.8565 -5.8503 -5.8481 -5.0350 -5.0336 -5.0027 -4.9987 -4.9847 -4.9838 2.0805 2.1228 3.4612 3.4713 3.8523 3.9875 4.6218 4.7024 4.7628 4.9002 5.2412 5.3245 5.4237 5.6697 8.7363 8.8926 9.5747 9.7493 12.5648 12.5885 13.1420 13.3728 14.3919 14.5769 k = 0.5000 0.1897 0.3441 ( 8046 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8565 -5.8563 -5.8504 -5.8485 -5.0351 -5.0337 -5.0027 -4.9991 -4.9846 -4.9839 2.0568 2.0952 3.4580 3.4661 3.8636 3.9861 4.6339 4.7007 4.7581 4.8895 5.2415 5.3230 5.4050 5.6414 8.8870 9.0393 9.6862 9.8571 12.5349 12.5546 13.0748 13.3057 14.1818 14.3670 k = 0.5000 0.1979 0.3324 ( 8048 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8564 -5.8562 -5.8505 -5.8489 -5.0351 -5.0338 -5.0027 -4.9995 -4.9846 -4.9840 2.0347 2.0693 3.4551 3.4614 3.8748 3.9851 4.6446 4.6987 4.7547 4.8795 5.2407 5.3154 5.3942 5.6152 9.0396 9.1866 9.7982 9.9635 12.5067 12.5223 13.0079 13.2372 13.9740 14.1587 k = 0.5000 0.2062 0.3208 ( 8048 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8562 -5.8560 -5.8507 -5.8493 -5.0352 -5.0339 -5.0027 -4.9999 -4.9845 -4.9841 2.0141 2.0451 3.4524 3.4572 3.8856 3.9844 4.6539 4.6965 4.7528 4.8701 5.2389 5.3021 5.3910 5.5910 9.1930 9.3334 9.9105 10.0681 12.4796 12.4913 12.9420 13.1674 13.7698 13.9537 k = 0.5000 0.2144 0.3091 ( 8058 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8560 -5.8559 -5.8509 -5.8497 -5.0352 -5.0340 -5.0026 -5.0002 -4.9845 -4.9842 1.9952 2.0228 3.4498 3.4534 3.8962 3.9839 4.6615 4.6941 4.7524 4.8613 5.2361 5.2860 5.3925 5.5689 9.3461 9.4781 10.0232 10.1704 12.4529 12.4621 12.8776 13.0966 13.5709 13.7535 k = 0.5000 0.2227 0.2974 ( 8056 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8558 -5.8557 -5.8510 -5.8501 -5.0353 -5.0341 -5.0026 -5.0005 -4.9844 -4.9842 1.9782 2.0024 3.4475 3.4500 3.9064 3.9834 4.6675 4.6918 4.7536 4.8530 5.2326 5.2696 5.3966 5.5489 9.4974 9.6188 10.1363 10.2697 12.4248 12.4350 12.8156 13.0245 13.3800 13.5599 k = 0.5000 0.2309 0.2858 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8556 -5.8555 -5.8512 -5.8504 -5.0353 -5.0343 -5.0026 -5.0008 -4.9844 -4.9843 1.9631 1.9841 3.4454 3.4471 3.9162 3.9828 4.6718 4.6897 4.7561 4.8452 5.2284 5.2543 5.4018 5.5310 9.6447 9.7531 10.2498 10.3657 12.3943 12.4091 12.7571 12.9507 13.2010 13.3755 k = 0.5000 0.2392 0.2741 ( 8062 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8554 -5.8553 -5.8514 -5.8508 -5.0353 -5.0344 -5.0025 -5.0011 -4.9844 -4.9843 1.9501 1.9679 3.4435 3.4446 3.9254 3.9820 4.6746 4.6877 4.7600 4.8377 5.2238 5.2406 5.4077 5.5151 9.7853 9.8781 10.3633 10.4579 12.3608 12.3816 12.7032 12.8722 13.0418 13.2036 k = 0.5000 0.2474 0.2624 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8552 -5.8552 -5.8516 -5.8511 -5.0353 -5.0345 -5.0025 -5.0013 -4.9844 -4.9843 1.9392 1.9539 3.4419 3.4425 3.9340 3.9809 4.6763 4.6861 4.7648 4.8304 5.2191 5.2291 5.4140 5.5009 9.9155 9.9907 10.4755 10.5461 12.3228 12.3489 12.6552 12.7835 12.9157 13.0489 k = 0.5000 0.2557 0.2508 ( 8056 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8550 -5.8550 -5.8518 -5.8514 -5.0353 -5.0346 -5.0024 -5.0015 -4.9844 -4.9843 1.9304 1.9421 3.4405 3.4408 3.9420 3.9793 4.6772 4.6846 4.7703 4.8233 5.2145 5.2197 5.4206 5.4883 10.0309 10.0878 10.5838 10.6295 12.2782 12.3061 12.6144 12.6898 12.8277 12.9175 k = 0.5000 0.2639 0.2391 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8548 -5.8548 -5.8520 -5.8517 -5.0352 -5.0347 -5.0024 -5.0017 -4.9844 -4.9843 1.9238 1.9325 3.4394 3.4396 3.9493 3.9771 4.6778 4.6832 4.7763 4.8164 5.2104 5.2127 5.4273 5.4771 10.1267 10.1665 10.6827 10.7066 12.2269 12.2514 12.5816 12.6140 12.7652 12.8154 k = 0.5000 0.2722 0.2275 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8547 -5.8547 -5.8521 -5.8519 -5.0352 -5.0348 -5.0023 -5.0019 -4.9843 -4.9843 1.9195 1.9253 3.4386 3.4387 3.9558 3.9743 4.6783 4.6820 4.7827 4.8095 5.2071 5.2078 5.4343 5.4670 10.1988 10.2238 10.7644 10.7727 12.1746 12.1923 12.5575 12.5667 12.7201 12.7454 k = 0.5000 0.2804 0.2158 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8546 -5.8546 -5.8522 -5.8521 -5.0351 -5.0349 -5.0022 -5.0020 -4.9843 -4.9843 1.9175 1.9204 3.4381 3.4381 3.9616 3.9709 4.6790 4.6808 4.7893 4.8027 5.2049 5.2050 5.4417 5.4579 10.2450 10.2571 10.8187 10.8198 12.1350 12.1447 12.5423 12.5434 12.6933 12.7046 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8545 -5.8545 -5.8522 -5.8522 -5.0350 -5.0350 -5.0021 -5.0021 -4.9843 -4.9843 1.9178 1.9178 3.4380 3.4380 3.9666 3.9666 4.6798 4.6798 4.7960 4.7960 5.2041 5.2041 5.4495 5.4495 10.2644 10.2644 10.8375 10.8375 12.1233 12.1233 12.5369 12.5369 12.6878 12.6878 k = 0.5000 0.2887 0.2041 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8545 -5.8545 -5.8522 -5.8522 -5.0350 -5.0350 -5.0021 -5.0021 -4.9843 -4.9843 1.9178 1.9178 3.4380 3.4380 3.9666 3.9666 4.6798 4.6798 4.7960 4.7960 5.2041 5.2041 5.4495 5.4495 10.2644 10.2644 10.8375 10.8375 12.1233 12.1233 12.5369 12.5369 12.6878 12.6878 k = 0.4958 0.2863 0.2177 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8546 -5.8546 -5.8522 -5.8521 -5.0351 -5.0349 -5.0022 -5.0020 -4.9843 -4.9843 1.9175 1.9204 3.4381 3.4381 3.9616 3.9709 4.6790 4.6808 4.7892 4.8028 5.2050 5.2050 5.4416 5.4580 10.2447 10.2569 10.8187 10.8191 12.1353 12.1451 12.5429 12.5431 12.6935 12.7048 k = 0.4917 0.2839 0.2313 ( 8052 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8547 -5.8547 -5.8521 -5.8519 -5.0352 -5.0348 -5.0023 -5.0019 -4.9843 -4.9843 1.9196 1.9254 3.4386 3.4387 3.9557 3.9744 4.6783 4.6820 4.7826 4.8097 5.2073 5.2078 5.4342 5.4672 10.1977 10.2227 10.7657 10.7687 12.1762 12.1925 12.5620 12.5638 12.7224 12.7449 k = 0.4875 0.2815 0.2449 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8548 -5.8548 -5.8520 -5.8517 -5.0352 -5.0347 -5.0024 -5.0017 -4.9844 -4.9843 1.9240 1.9328 3.4394 3.4397 3.9491 3.9772 4.6779 4.6832 4.7762 4.8166 5.2108 5.2126 5.4271 5.4774 10.1248 10.1631 10.6882 10.6966 12.2305 12.2478 12.5983 12.6045 12.7755 12.8083 k = 0.4833 0.2791 0.2586 ( 8050 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8550 -5.8550 -5.8518 -5.8514 -5.0353 -5.0346 -5.0025 -5.0015 -4.9844 -4.9843 1.9307 1.9425 3.4403 3.4411 3.9417 3.9794 4.6776 4.6841 4.7703 4.8235 5.2153 5.2195 5.4203 5.4888 10.0285 10.0804 10.5964 10.6119 12.2801 12.2927 12.6578 12.6709 12.8534 12.8950 k = 0.4792 0.2766 0.2722 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8552 -5.8552 -5.8516 -5.8511 -5.0353 -5.0345 -5.0025 -5.0013 -4.9844 -4.9843 1.9397 1.9545 3.4415 3.4431 3.9336 3.9810 4.6775 4.6845 4.7652 4.8304 5.2205 5.2285 5.4137 5.5016 9.9125 9.9771 10.4979 10.5210 12.3141 12.3194 12.7421 12.7611 12.9556 13.0036 k = 0.4750 0.2742 0.2858 ( 8061 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8554 -5.8553 -5.8514 -5.8508 -5.0353 -5.0344 -5.0025 -5.0011 -4.9844 -4.9842 1.9509 1.9688 3.4428 3.4455 3.9248 3.9821 4.6776 4.6838 4.7614 4.8373 5.2259 5.2397 5.4073 5.5161 9.7811 9.8569 10.3973 10.4271 12.3310 12.3325 12.8459 12.8669 13.0799 13.1314 k = 0.4708 0.2718 0.2994 ( 8057 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8557 -5.8555 -5.8512 -5.8504 -5.0353 -5.0342 -5.0026 -5.0008 -4.9845 -4.9842 1.9642 1.9853 3.4442 3.4486 3.9155 3.9829 4.6779 4.6813 4.7596 4.8440 5.2314 5.2527 5.4013 5.5324 9.6383 9.7236 10.2964 10.3318 12.3327 12.3395 12.9622 12.9818 13.2214 13.2746 k = 0.4667 0.2694 0.3130 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8559 -5.8557 -5.8510 -5.8501 -5.0353 -5.0341 -5.0026 -5.0005 -4.9845 -4.9841 1.9796 2.0040 3.4457 3.4523 3.9056 3.9834 4.6766 4.6784 4.7602 4.8507 5.2367 5.2674 5.3960 5.5508 9.4876 9.5810 10.1961 10.2358 12.3283 12.3393 13.0868 13.1031 13.3746 13.4290 k = 0.4625 0.2670 0.3266 ( 8063 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8561 -5.8558 -5.8508 -5.8497 -5.0352 -5.0340 -5.0026 -5.0002 -4.9846 -4.9840 1.9969 2.0247 3.4472 3.4566 3.8952 3.9839 4.6695 4.6792 4.7634 4.8572 5.2415 5.2829 5.3919 5.5713 9.3320 9.4321 10.0966 10.1395 12.3202 12.3344 13.2174 13.2299 13.5344 13.5901 k = 0.4583 0.2646 0.3402 ( 8059 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8563 -5.8560 -5.8506 -5.8493 -5.0352 -5.0339 -5.0026 -4.9999 -4.9847 -4.9839 2.0162 2.0474 3.4486 3.4616 3.8845 3.9845 4.6603 4.6803 4.7688 4.8636 5.2456 5.2979 5.3903 5.5941 9.1735 9.2794 9.9978 10.0432 12.3095 12.3264 13.3530 13.3619 13.6967 13.7542 k = 0.4542 0.2622 0.3538 ( 8057 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8565 -5.8561 -5.8504 -5.8489 -5.0351 -5.0338 -5.0027 -4.9995 -4.9848 -4.9838 2.0372 2.0719 3.4499 3.4674 3.8734 3.9852 4.6491 4.6818 4.7764 4.8698 5.2489 5.3099 5.3935 5.6191 9.0138 9.1250 9.9000 9.9472 12.2972 12.3163 13.4930 13.4986 13.8584 13.9178 k = 0.4500 0.2598 0.3674 ( 8049 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8567 -5.8562 -5.8503 -5.8486 -5.0350 -5.0337 -5.0027 -4.9991 -4.9849 -4.9836 2.0598 2.0982 3.4510 3.4741 3.8621 3.9864 4.6364 4.6836 4.7856 4.8760 5.2514 5.3162 5.4040 5.6463 8.8543 8.9701 9.8032 9.8519 12.2839 12.3047 13.6371 13.6395 14.0165 14.0776 k = 0.4458 0.2574 0.3810 ( 8053 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8569 -5.8563 -5.8501 -5.8482 -5.0350 -5.0336 -5.0027 -4.9987 -4.9851 -4.9834 2.0839 2.1260 3.4519 3.4816 3.8505 3.9880 4.6223 4.6858 4.7964 4.8821 5.2531 5.3163 5.4222 5.6756 8.6960 8.8161 9.7076 9.7575 12.2699 12.2922 13.7843 13.7848 14.1680 14.2301 k = 0.4417 0.2550 0.3946 ( 8054 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8571 -5.8564 -5.8500 -5.8478 -5.0348 -5.0335 -5.0027 -4.9983 -4.9852 -4.9832 2.1093 2.1553 3.4526 3.4900 3.8388 3.9903 4.6070 4.6884 4.8085 4.8883 5.2538 5.3121 5.4458 5.7067 8.5399 8.6638 9.6133 9.6642 12.2557 12.2791 13.9322 13.9357 14.3098 14.3714 k = 0.4375 0.2526 0.4082 ( 8047 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8572 -5.8564 -5.8499 -5.8475 -5.0347 -5.0335 -5.0028 -4.9978 -4.9854 -4.9830 2.1359 2.1857 3.4529 3.4995 3.8271 3.9934 4.5906 4.6914 4.8218 4.8945 5.2538 5.3052 5.4728 5.7394 8.3868 8.5142 9.5207 9.5724 12.2413 12.2656 14.0826 14.0895 14.4383 14.4970 k = 0.4333 0.2502 0.4219 ( 8047 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8574 -5.8565 -5.8498 -5.8471 -5.0346 -5.0334 -5.0028 -4.9973 -4.9856 -4.9828 2.1634 2.2172 3.4528 3.5101 3.8152 3.9975 4.5732 4.6947 4.8362 4.9010 5.2530 5.2966 5.5020 5.7734 8.2374 8.3680 9.4297 9.4822 12.2271 12.2521 14.2339 14.2455 14.5497 14.6019 k = 0.4292 0.2478 0.4355 ( 8051 PWs) bands (ev): -37.4275 -37.4275 -36.9325 -36.9325 -5.8575 -5.8565 -5.8497 -5.8468 -5.0345 -5.0334 -5.0028 -4.9968 -4.9858 -4.9825 2.1916 2.2494 3.4523 3.5219 3.8034 4.0026 4.5550 4.6984 4.8518 4.9079 5.2515 5.2868 5.5325 5.8083 8.0926 8.2259 9.3408 9.3938 12.2131 12.2387 14.3830 14.4021 14.6416 14.6818 k = 0.4250 0.2454 0.4491 ( 8049 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8576 -5.8565 -5.8496 -5.8465 -5.0344 -5.0333 -5.0029 -4.9963 -4.9860 -4.9823 2.2203 2.2820 3.4514 3.5349 3.7915 4.0089 4.5359 4.7023 4.8683 4.9153 5.2494 5.2762 5.5633 5.8439 7.9532 8.0888 9.2540 9.3076 12.1996 12.2255 14.5191 14.5538 14.7201 14.7381 k = 0.4208 0.2430 0.4627 ( 8044 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8577 -5.8565 -5.8496 -5.8462 -5.0343 -5.0333 -5.0029 -4.9958 -4.9862 -4.9820 2.2492 2.3149 3.4499 3.5491 3.7798 4.0164 4.5161 4.7063 4.8858 4.9234 5.2467 5.2648 5.5940 5.8794 7.8199 7.9573 9.1695 9.2236 12.1866 12.2127 14.6110 14.6672 14.8031 14.8144 k = 0.4167 0.2406 0.4763 ( 8035 PWs) bands (ev): -37.4274 -37.4274 -36.9325 -36.9325 -5.8578 -5.8564 -5.8496 -5.8459 -5.0341 -5.0333 -5.0029 -4.9952 -4.9864 -4.9817 2.2780 2.3476 3.4480 3.5646 3.7681 4.0252 4.4958 4.7102 4.9043 4.9324 5.2436 5.2529 5.6238 5.9143 7.6939 7.8324 9.0876 9.1420 12.1741 12.2004 14.6363 14.6864 14.9359 14.9487 k = 0.4125 0.2382 0.4899 ( 8046 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8578 -5.8564 -5.8496 -5.8456 -5.0340 -5.0333 -5.0030 -4.9947 -4.9867 -4.9814 2.3065 2.3798 3.4456 3.5812 3.7566 4.0352 4.4750 4.7140 4.9237 4.9425 5.2401 5.2405 5.6518 5.9479 7.5762 7.7150 9.0083 9.0630 12.1623 12.1887 14.6176 14.6555 15.0972 15.1048 k = 0.4083 0.2358 0.5035 ( 8052 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8579 -5.8563 -5.8496 -5.8454 -5.0339 -5.0333 -5.0030 -4.9941 -4.9869 -4.9811 2.3343 2.4111 3.4426 3.5989 3.7455 4.0465 4.4539 4.7172 4.9440 4.9539 5.2276 5.2363 5.6772 5.9793 7.4680 7.6065 8.9319 8.9869 12.1513 12.1776 14.5733 14.6013 15.2659 15.2694 k = 0.4042 0.2333 0.5171 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8579 -5.8562 -5.8496 -5.8452 -5.0338 -5.0333 -5.0031 -4.9936 -4.9871 -4.9809 2.3612 2.4412 3.4392 3.6171 3.7350 4.0588 4.4329 4.7197 4.9651 4.9671 5.2145 5.2323 5.6991 6.0072 7.3706 7.5080 8.8586 8.9137 12.1410 12.1673 14.5125 14.5327 15.4379 15.4381 k = 0.4000 0.2309 0.5307 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8580 -5.8561 -5.8497 -5.8450 -5.0337 -5.0334 -5.0031 -4.9931 -4.9873 -4.9806 2.3867 2.4696 3.4354 3.6349 3.7257 4.0719 4.4123 4.7211 4.9821 4.9870 5.2012 5.2283 5.7166 6.0306 7.2853 7.4212 8.7884 8.8437 12.1316 12.1577 14.4406 14.4544 15.6086 15.6116 k = 0.3958 0.2285 0.5443 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9325 -5.8580 -5.8560 -5.8497 -5.8448 -5.0336 -5.0334 -5.0031 -4.9926 -4.9875 -4.9803 2.4106 2.4961 3.4311 3.6503 3.7196 4.0857 4.3924 4.7211 4.9994 5.0097 5.1880 5.2243 5.7287 6.0479 7.2135 7.3476 8.7217 8.7769 12.1229 12.1489 14.3612 14.3696 15.7796 15.7859 k = 0.3917 0.2261 0.5579 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8580 -5.8559 -5.8498 -5.8447 -5.0336 -5.0334 -5.0031 -4.9922 -4.9876 -4.9801 2.4325 2.5201 3.4265 3.6589 3.7202 4.0996 4.3739 4.7193 5.0191 5.0329 5.1750 5.2206 5.7350 6.0580 7.1563 7.2888 8.6586 8.7137 12.1152 12.1409 14.2769 14.2807 15.9490 15.9595 k = 0.3875 0.2237 0.5715 ( 8067 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8580 -5.8558 -5.8499 -5.8445 -5.0335 -5.0335 -5.0031 -4.9919 -4.9876 -4.9799 2.4521 2.5414 3.4217 3.6580 3.7297 4.1133 4.3575 4.7154 5.0415 5.0563 5.1626 5.2175 5.7351 6.0600 7.1143 7.2460 8.5992 8.6542 12.1083 12.1338 14.1892 14.1895 16.1138 16.1298 k = 0.3833 0.2213 0.5852 ( 8069 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8557 -5.8500 -5.8445 -5.0335 -5.0335 -5.0031 -4.9918 -4.9875 -4.9797 2.4690 2.5596 3.4166 3.6505 3.7444 4.1261 4.3439 4.7091 5.0664 5.0794 5.1513 5.2156 5.7298 6.0536 7.0878 7.2198 8.5438 8.5985 12.1023 12.1276 14.0964 14.1002 16.2682 16.2919 k = 0.3792 0.2189 0.5988 ( 8065 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8556 -5.8502 -5.8444 -5.0336 -5.0334 -5.0031 -4.9917 -4.9873 -4.9796 2.4830 2.5743 3.4114 3.6396 3.7597 4.1373 4.3342 4.7005 5.0926 5.1010 5.1425 5.2159 5.7200 6.0394 7.0762 7.2099 8.4925 8.5469 12.0972 12.1223 14.0030 14.0101 16.4019 16.4346 k = 0.3750 0.2165 0.6124 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.6250-0.0722 0.4082 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8579 -5.8555 -5.8503 -5.8444 -5.0336 -5.0334 -5.0031 -4.9918 -4.9870 -4.9795 2.4938 2.5854 3.4062 3.6271 3.7732 4.1462 4.3292 4.6897 5.1121 5.1194 5.1440 5.2202 5.7078 6.0192 7.0785 7.2153 8.4455 8.4995 12.0930 12.1178 13.9098 13.9199 16.4993 16.5371 k = 0.6181-0.0842 0.4082 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8578 -5.8553 -5.8505 -5.8443 -5.0338 -5.0335 -5.0030 -4.9920 -4.9864 -4.9793 2.5082 2.5995 3.3974 3.6039 3.7936 4.1580 4.3261 4.6691 5.1204 5.1453 5.1745 5.2330 5.6878 5.9817 7.0961 7.2385 8.3725 8.4257 12.0868 12.1113 13.7549 13.7697 16.6254 16.6638 k = 0.6111-0.0962 0.4082 ( 8060 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8577 -5.8551 -5.8507 -5.8443 -5.0339 -5.0335 -5.0029 -4.9923 -4.9858 -4.9791 2.5211 2.6116 3.3885 3.5791 3.8145 4.1683 4.3247 4.6470 5.1247 5.1687 5.2103 5.2492 5.6698 5.9444 7.1195 7.2664 8.3027 8.3551 12.0807 12.1051 13.6008 13.6199 16.7536 16.7925 k = 0.6042-0.1083 0.4082 ( 8056 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8576 -5.8549 -5.8509 -5.8444 -5.0340 -5.0335 -5.0028 -4.9926 -4.9852 -4.9789 2.5326 2.6219 3.3795 3.5532 3.8359 4.1775 4.3243 4.6238 5.1295 5.1886 5.2464 5.2694 5.6537 5.9077 7.1481 7.2985 8.2363 8.2880 12.0748 12.0990 13.4487 13.4719 16.8838 16.9233 k = 0.5972-0.1203 0.4082 ( 8050 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8575 -5.8547 -5.8511 -5.8445 -5.0341 -5.0336 -5.0027 -4.9929 -4.9846 -4.9788 2.5430 2.6305 3.3705 3.5271 3.8579 4.1857 4.3245 4.5996 5.1352 5.2049 5.2813 5.2931 5.6393 5.8717 7.1815 7.3339 8.1735 8.2243 12.0689 12.0930 13.2998 13.3266 17.0157 17.0559 k = 0.5903-0.1323 0.4082 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8574 -5.8545 -5.8512 -5.8446 -5.0342 -5.0337 -5.0025 -4.9933 -4.9841 -4.9786 2.5524 2.6374 3.3617 3.5013 3.8803 4.1932 4.3249 4.5747 5.1420 5.2184 5.3145 5.3191 5.6267 5.8366 7.2192 7.3721 8.1144 8.1644 12.0629 12.0870 13.1552 13.1853 17.1491 17.1901 k = 0.5833-0.1443 0.4082 ( 8058 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8573 -5.8543 -5.8513 -5.8447 -5.0343 -5.0337 -5.0024 -4.9936 -4.9835 -4.9785 2.5608 2.6428 3.3531 3.4763 3.9031 4.2001 4.3253 4.5493 5.1499 5.2299 5.3454 5.3461 5.6158 5.8026 7.2603 7.4122 8.0591 8.1084 12.0568 12.0809 13.0160 13.0490 17.2836 17.3255 k = 0.5764-0.1564 0.4082 ( 8062 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8572 -5.8542 -5.8514 -5.8449 -5.0344 -5.0338 -5.0022 -4.9940 -4.9829 -4.9784 2.5685 2.6468 3.3449 3.4524 3.9264 4.2064 4.3253 4.5235 5.1586 5.2401 5.3731 5.3737 5.6065 5.7700 7.3040 7.4533 8.0081 8.0564 12.0502 12.0744 12.8834 12.9189 17.4187 17.4617 k = 0.5694-0.1684 0.4082 ( 8054 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8571 -5.8541 -5.8513 -5.8451 -5.0345 -5.0339 -5.0020 -4.9945 -4.9824 -4.9782 2.5755 2.6494 3.3371 3.4299 3.9501 4.2124 4.3250 4.4976 5.1681 5.2491 5.3990 5.3994 5.5989 5.7388 7.3493 7.4944 7.9614 8.0088 12.0431 12.0674 12.7586 12.7960 17.5538 17.5981 k = 0.5625-0.1804 0.4082 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8570 -5.8541 -5.8512 -5.8453 -5.0346 -5.0340 -5.0017 -4.9949 -4.9819 -4.9782 2.5819 2.6509 3.3299 3.4091 3.9741 4.2180 4.3242 4.4715 5.1783 5.2572 5.4213 5.4245 5.5930 5.7092 7.3952 7.5344 7.9195 7.9659 12.0350 12.0595 12.6431 12.6819 17.6881 17.7338 k = 0.5556-0.1925 0.4082 ( 8064 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8568 -5.8542 -5.8510 -5.8455 -5.0346 -5.0341 -5.0015 -4.9953 -4.9814 -4.9781 2.5879 2.6512 3.3233 3.3901 3.9984 4.2232 4.3229 4.4455 5.1890 5.2642 5.4403 5.4479 5.5886 5.6815 7.4404 7.5720 7.8830 7.9279 12.0256 12.0500 12.5383 12.5777 17.8205 17.8677 k = 0.5486-0.2045 0.4082 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8567 -5.8543 -5.8508 -5.8458 -5.0347 -5.0342 -5.0012 -4.9957 -4.9809 -4.9780 2.5935 2.6505 3.3176 3.3731 4.0231 4.2279 4.3211 4.4198 5.2000 5.2701 5.4563 5.4694 5.5858 5.6558 7.4836 7.6055 7.8525 7.8953 12.0144 12.0383 12.4462 12.4851 17.9493 17.9979 k = 0.5417-0.2165 0.4082 ( 8068 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8566 -5.8544 -5.8505 -5.8461 -5.0347 -5.0342 -5.0009 -4.9962 -4.9805 -4.9780 2.5988 2.6489 3.3127 3.3580 4.0480 4.2320 4.3188 4.3946 5.2111 5.2747 5.4694 5.4886 5.5842 5.6322 7.5233 7.6328 7.8293 7.8684 12.0009 12.0235 12.3685 12.4054 18.0724 18.1221 k = 0.5347-0.2285 0.4082 ( 8074 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8564 -5.8546 -5.8501 -5.8464 -5.0347 -5.0343 -5.0006 -4.9966 -4.9801 -4.9781 2.6040 2.6466 3.3088 3.3448 4.0730 4.2349 4.3162 4.3705 5.2222 5.2779 5.4801 5.5054 5.5834 5.6112 7.5581 7.6516 7.8148 7.8478 11.9851 12.0051 12.3068 12.3399 18.1871 18.2366 k = 0.5278-0.2406 0.4082 ( 8076 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8563 -5.8548 -5.8498 -5.8468 -5.0347 -5.0344 -5.0002 -4.9971 -4.9797 -4.9781 2.6090 2.6437 3.3059 3.3337 4.0980 4.2358 4.3133 4.3483 5.2331 5.2796 5.4890 5.5189 5.5829 5.5934 7.5868 7.6608 7.8094 7.8336 11.9676 11.9837 12.2615 12.2890 18.2901 18.3367 k = 0.5208-0.2526 0.4082 ( 8076 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8561 -5.8550 -5.8494 -5.8471 -5.0347 -5.0345 -4.9999 -4.9975 -4.9794 -4.9782 2.6139 2.6403 3.3042 3.3244 4.1229 4.2334 4.3104 4.3293 5.2434 5.2795 5.4969 5.5282 5.5799 5.5822 7.6088 7.6617 7.8107 7.8256 11.9500 11.9616 12.2311 12.2517 18.3775 18.4172 k = 0.5139-0.2646 0.4082 ( 8072 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8559 -5.8552 -5.8490 -5.8475 -5.0347 -5.0345 -4.9995 -4.9979 -4.9791 -4.9783 2.6186 2.6364 3.3038 3.3169 4.1475 4.2257 4.3077 4.3156 5.2529 5.2776 5.5044 5.5310 5.5729 5.5808 7.6247 7.6578 7.8148 7.8222 11.9350 11.9423 12.2129 12.2264 18.4458 18.4729 k = 0.5069-0.2766 0.4082 ( 8084 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8557 -5.8554 -5.8487 -5.8479 -5.0347 -5.0346 -4.9991 -4.9983 -4.9788 -4.9784 2.6233 2.6323 3.3048 3.3113 4.1711 4.2119 4.3057 4.3080 5.2614 5.2739 5.5120 5.5270 5.5727 5.5786 7.6360 7.6517 7.8186 7.8214 11.9253 11.9287 12.2044 12.2110 18.4919 18.5024 k = 0.5000-0.2887 0.4082 ( 8080 PWs) bands (ev): -37.4274 -37.4274 -36.9326 -36.9326 -5.8556 -5.8556 -5.8483 -5.8483 -5.0346 -5.0346 -4.9987 -4.9987 -4.9786 -4.9786 2.6279 2.6279 3.3073 3.3073 4.1931 4.1931 4.3053 4.3053 5.2684 5.2684 5.5197 5.5197 5.5755 5.5755 7.6445 7.6445 7.8207 7.8207 11.9229 11.9229 12.2039 12.2039 18.5136 18.5136 Writing output data file Li2InAu.save init_run : 1.02s CPU 0.61s WALL ( 1 calls) electrons : 369.88s CPU 248.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.14s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 369.87s CPU 248.34s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.51s CPU 0.57s WALL ( 328 calls) cegterg : 323.09s CPU 221.12s WALL ( 634 calls) Called by sum_band: Called by *egterg: h_psi : 256.46s CPU 155.11s WALL ( 10942 calls) s_psi : 8.32s CPU 5.74s WALL ( 10942 calls) g_psi : 0.64s CPU 0.41s WALL ( 9980 calls) cdiaghg : 63.92s CPU 54.63s WALL ( 10308 calls) cegterg:over : 11.51s CPU 8.93s WALL ( 9980 calls) cegterg:upda : 11.54s CPU 9.58s WALL ( 9980 calls) cegterg:last : 4.50s CPU 3.86s WALL ( 1590 calls) cdiaghg:chol : 3.96s CPU 3.26s WALL ( 10308 calls) cdiaghg:inve : 1.66s CPU 1.48s WALL ( 10308 calls) cdiaghg:para : 3.84s CPU 3.17s WALL ( 20616 calls) Called by h_psi: h_psi:vloc : 238.44s CPU 142.42s WALL ( 10942 calls) h_psi:vnl : 17.39s CPU 12.27s WALL ( 10942 calls) add_vuspsi : 9.12s CPU 6.29s WALL ( 10942 calls) General routines calbec : 8.23s CPU 5.95s WALL ( 10942 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 227.05s CPU 134.22s WALL ( 721580 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.38s CPU 1.41s WALL ( 656 calls) Parallel routines fft_scatter : 77.50s CPU 53.53s WALL ( 721603 calls) PWSCF : 6m29.61s CPU 4m39.86s WALL This run was terminated on: 6:17:16 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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