Program PWSCF v.5.4.0 starts on 12Feb2017 at 2: 5:28 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: ./ScSnAu.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 28 8 1831 608 95 Max 61 29 9 1833 625 99 Sum 2161 1039 301 65955 22123 3479 bravais-lattice index = 14 lattice parameter (alat) = 8.5778 a.u. unit-cell volume = 446.2927 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.577847 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Sc 11.00 44.95590 Sc( 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 0.1938776), wk = 0.0030488 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030488 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0030488 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030488 k( 24) = ( 0.2346939 0.0000000 0.2346939), wk = 0.0030488 k( 25) = ( 0.2448980 0.0000000 0.2448980), wk = 0.0030488 k( 26) = ( 0.2551020 0.0000000 0.2551020), wk = 0.0030488 k( 27) = ( 0.2653061 0.0000000 0.2653061), wk = 0.0030488 k( 28) = ( 0.2755102 0.0000000 0.2755102), wk = 0.0030488 k( 29) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0030488 k( 30) = ( 0.2959184 0.0000000 0.2959184), wk = 0.0030488 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030488 k( 32) = ( 0.3163265 0.0000000 0.3163265), wk = 0.0030488 k( 33) = ( 0.3265306 0.0000000 0.3265306), wk = 0.0030488 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030488 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030488 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030488 k( 37) = ( 0.3673469 0.0000000 0.3673469), wk = 0.0030488 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030488 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0030488 k( 40) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0030488 k( 41) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0030488 k( 42) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0030488 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030488 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030488 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0030488 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030488 k( 47) = ( 0.4693878 0.0000000 0.4693878), wk = 0.0030488 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0030488 k( 49) = ( 0.4897959 0.0000000 0.4897959), wk = 0.0030488 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030488 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030488 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030488 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030488 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030488 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030488 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030488 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030488 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030488 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030488 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030488 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030488 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030488 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030488 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030488 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030488 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030488 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030488 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030488 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030488 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030488 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030488 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030488 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030488 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030488 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030488 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030488 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030488 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030488 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030488 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030488 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030488 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030488 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030488 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030488 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030488 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030488 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030488 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030488 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030488 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030488 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030488 k( 100) = ( 0.3461538 0.3461538 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 0.5913462), wk = 0.0030488 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030488 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030488 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030488 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030488 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030488 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030488 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030488 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030488 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030488 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030488 k( 118) = ( 0.2163461 0.2163461 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 0.0649039 0.1298077), wk = 0.0030488 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030488 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030488 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030488 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030488 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030488 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030488 k( 146) = ( 0.0144231 0.0144231 0.0288462), wk = 0.0030488 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0030488 k( 151) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0030488 k( 152) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0030488 k( 153) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0030488 k( 154) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0030488 k( 155) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0030488 k( 156) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0030488 k( 157) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0030488 k( 158) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0030488 k( 159) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0030488 k( 160) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0030488 k( 161) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0030488 k( 162) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0030488 k( 163) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0030488 k( 164) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0030488 k( 165) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0030488 k( 166) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0030488 k( 167) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0030488 k( 168) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0030488 k( 169) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0030488 k( 170) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0030488 k( 171) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0030488 k( 172) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0030488 k( 173) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0030488 k( 174) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0030488 k( 175) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0030488 k( 176) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0030488 k( 177) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0030488 k( 178) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0030488 k( 179) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0030488 k( 180) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0030488 k( 181) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0030488 k( 182) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0030488 k( 183) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0030488 k( 184) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0030488 k( 185) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0030488 k( 186) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0030488 k( 187) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0030488 k( 188) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0030488 k( 189) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0030488 k( 190) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0030488 k( 191) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0030488 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030488 k( 195) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030488 k( 196) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030488 k( 197) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030488 k( 198) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030488 k( 199) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030488 k( 200) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030488 k( 201) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030488 k( 202) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030488 k( 203) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030488 k( 204) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030488 k( 205) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030488 k( 206) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030488 k( 207) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030488 k( 208) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030488 k( 209) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030488 k( 210) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030488 k( 211) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030488 k( 212) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030488 k( 213) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030488 k( 214) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030488 k( 215) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030488 k( 216) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030488 k( 217) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030488 k( 218) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030488 k( 219) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030488 k( 220) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030488 k( 221) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030488 k( 222) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030488 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 224) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 225) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030488 k( 226) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030488 k( 227) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030488 k( 228) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030488 k( 229) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030488 k( 230) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030488 k( 231) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030488 k( 232) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030488 k( 233) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030488 k( 234) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030488 k( 235) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030488 k( 236) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030488 k( 237) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030488 k( 238) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030488 k( 239) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030488 k( 240) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030488 k( 241) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030488 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 243) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030488 k( 244) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030488 k( 245) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030488 k( 246) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030488 k( 247) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030488 k( 248) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030488 k( 249) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030488 k( 250) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030488 k( 251) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030488 k( 252) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030488 k( 253) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030488 k( 254) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030488 k( 255) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030488 k( 256) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030488 k( 257) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030488 k( 258) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030488 k( 259) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030488 k( 260) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030488 k( 261) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030488 k( 262) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030488 k( 263) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030488 k( 264) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030488 k( 265) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030488 k( 266) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030488 k( 267) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030488 k( 268) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030488 k( 269) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030488 k( 270) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030488 k( 271) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030488 k( 272) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030488 k( 273) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030488 k( 274) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030488 k( 275) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030488 k( 276) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030488 k( 277) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 280) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030488 k( 281) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030488 k( 282) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030488 k( 283) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030488 k( 284) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030488 k( 285) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030488 k( 286) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030488 k( 287) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030488 k( 288) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030488 k( 289) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030488 k( 290) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030488 k( 291) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030488 k( 292) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030488 k( 293) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030488 k( 294) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030488 k( 295) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030488 k( 296) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030488 k( 297) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030488 k( 298) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030488 k( 299) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030488 k( 300) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030488 k( 301) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030488 k( 302) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030488 k( 303) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030488 k( 304) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030488 k( 305) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030488 k( 306) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030488 k( 307) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030488 k( 308) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030488 k( 309) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030488 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030488 k( 311) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030488 k( 312) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030488 k( 313) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030488 k( 314) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030488 k( 315) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030488 k( 316) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030488 k( 317) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030488 k( 318) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030488 k( 319) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030488 k( 320) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030488 k( 321) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030488 k( 322) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030488 k( 323) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030488 k( 324) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030488 k( 325) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030488 k( 326) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030488 k( 327) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030488 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 Dense grid: 65955 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22123 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 160, 44) NL pseudopotentials 0.12 Mb ( 80, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1832) G-vector shells 0.00 Mb ( 475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 160, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ScSnAu.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.7 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 15.0 secs Computing kpt #: 21 total cpu time spent up to now is 15.6 secs Computing kpt #: 22 total cpu time spent up to now is 16.2 secs Computing kpt #: 23 total cpu time spent up to now is 16.8 secs Computing kpt #: 24 total cpu time spent up to now is 17.4 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.8 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.0 secs Computing kpt #: 29 total cpu time spent up to now is 20.6 secs Computing kpt #: 30 total cpu time spent up to now is 21.2 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.7 secs Computing kpt #: 37 total cpu time spent up to now is 25.3 secs Computing kpt #: 38 total cpu time spent up to now is 25.9 secs Computing kpt #: 39 total cpu time spent up to now is 26.4 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.6 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.8 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.1 secs Computing kpt #: 50 total cpu time spent up to now is 32.7 secs Computing kpt #: 51 total cpu time spent up to now is 33.5 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.6 secs Computing kpt #: 54 total cpu time spent up to now is 35.1 secs Computing kpt #: 55 total cpu time spent up to now is 35.7 secs Computing kpt #: 56 total cpu time spent up to now is 36.3 secs Computing kpt #: 57 total cpu time spent up to now is 36.9 secs Computing kpt #: 58 total cpu time spent up to now is 37.5 secs Computing kpt #: 59 total cpu time spent up to now is 38.1 secs Computing kpt #: 60 total cpu time spent up to now is 38.7 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 40.0 secs Computing kpt #: 63 total cpu time spent up to now is 40.6 secs Computing kpt #: 64 total cpu time spent up to now is 41.2 secs Computing kpt #: 65 total cpu time spent up to now is 41.9 secs Computing kpt #: 66 total cpu time spent up to now is 42.5 secs Computing kpt #: 67 total cpu time spent up to now is 43.1 secs Computing kpt #: 68 total cpu time spent up to now is 43.7 secs Computing kpt #: 69 total cpu time spent up to now is 44.4 secs Computing kpt #: 70 total cpu time spent up to now is 45.0 secs Computing kpt #: 71 total cpu time spent up to now is 45.6 secs Computing kpt #: 72 total cpu time spent up to now is 46.4 secs Computing kpt #: 73 total cpu time spent up to now is 47.0 secs Computing kpt #: 74 total cpu time spent up to now is 47.6 secs Computing kpt #: 75 total cpu time spent up to now is 48.4 secs Computing kpt #: 76 total cpu time spent up to now is 49.1 secs Computing kpt #: 77 total cpu time spent up to now is 49.8 secs Computing kpt #: 78 total cpu time spent up to now is 50.4 secs Computing kpt #: 79 total cpu time spent up to now is 51.0 secs Computing kpt #: 80 total cpu time spent up to now is 51.7 secs Computing kpt #: 81 total cpu time spent up to now is 52.2 secs Computing kpt #: 82 total cpu time spent up to now is 52.8 secs Computing kpt #: 83 total cpu time spent up to now is 53.4 secs Computing kpt #: 84 total cpu time spent up to now is 54.0 secs Computing kpt #: 85 total cpu time spent up to now is 54.6 secs Computing kpt #: 86 total cpu time spent up to now is 55.2 secs Computing kpt #: 87 total cpu time spent up to now is 55.8 secs Computing kpt #: 88 total cpu time spent up to now is 56.4 secs Computing kpt #: 89 total cpu time spent up to now is 57.0 secs Computing kpt #: 90 total cpu time spent up to now is 57.8 secs Computing kpt #: 91 total cpu time spent up to now is 58.4 secs Computing kpt #: 92 total cpu time spent up to now is 59.0 secs Computing kpt #: 93 total cpu time spent up to now is 59.6 secs Computing kpt #: 94 total cpu time spent up to now is 60.1 secs Computing kpt #: 95 total cpu time spent up to now is 60.8 secs Computing kpt #: 96 total cpu time spent up to now is 61.5 secs Computing kpt #: 97 total cpu time spent up to now is 62.0 secs Computing kpt #: 98 total cpu time spent up to now is 62.6 secs Computing kpt #: 99 total cpu time spent up to now is 63.2 secs Computing kpt #: 100 total cpu time spent up to now is 63.8 secs Computing kpt #: 101 total cpu time spent up to now is 64.4 secs Computing kpt #: 102 total cpu time spent up to now is 65.0 secs Computing kpt #: 103 total cpu time spent up to now is 65.5 secs Computing kpt #: 104 total cpu time spent up to now is 66.1 secs Computing kpt #: 105 total cpu time spent up to now is 66.6 secs Computing kpt #: 106 total cpu time spent up to now is 67.1 secs Computing kpt #: 107 total cpu time spent up to now is 67.7 secs Computing kpt #: 108 total cpu time spent up to now is 68.2 secs Computing kpt #: 109 total cpu time spent up to now is 68.7 secs Computing kpt #: 110 total cpu time spent up to now is 69.2 secs Computing kpt #: 111 total cpu time spent up to now is 69.7 secs Computing kpt #: 112 total cpu time spent up to now is 70.2 secs Computing kpt #: 113 total cpu time spent up to now is 70.7 secs Computing kpt #: 114 total cpu time spent up to now is 71.3 secs Computing kpt #: 115 total cpu time spent up to now is 71.8 secs Computing kpt #: 116 total cpu time spent up to now is 72.3 secs Computing kpt #: 117 total cpu time spent up to now is 72.8 secs Computing kpt #: 118 total cpu time spent up to now is 73.3 secs Computing kpt #: 119 total cpu time spent up to now is 73.8 secs Computing kpt #: 120 total cpu time spent up to now is 74.3 secs Computing kpt #: 121 total cpu time spent up to now is 74.8 secs Computing kpt #: 122 total cpu time spent up to now is 75.3 secs Computing kpt #: 123 total cpu time spent up to now is 75.8 secs Computing kpt #: 124 total cpu time spent up to now is 76.3 secs Computing kpt #: 125 total cpu time spent up to now is 76.8 secs Computing kpt #: 126 total cpu time spent up to now is 77.3 secs Computing kpt #: 127 total cpu time spent up to now is 77.9 secs Computing kpt #: 128 total cpu time spent up to now is 78.4 secs Computing kpt #: 129 total cpu time spent up to now is 78.9 secs Computing kpt #: 130 total cpu time spent up to now is 79.5 secs Computing kpt #: 131 total cpu time spent up to now is 80.1 secs Computing kpt #: 132 total cpu time spent up to now is 80.7 secs Computing kpt #: 133 total cpu time spent up to now is 81.3 secs Computing kpt #: 134 total cpu time spent up to now is 81.8 secs Computing kpt #: 135 total cpu time spent up to now is 82.3 secs Computing kpt #: 136 total cpu time spent up to now is 82.9 secs Computing kpt #: 137 total cpu time spent up to now is 83.4 secs Computing kpt #: 138 total cpu time spent up to now is 84.0 secs Computing kpt #: 139 total cpu time spent up to now is 84.5 secs Computing kpt #: 140 total cpu time spent up to now is 85.1 secs Computing kpt #: 141 total cpu time spent up to now is 85.6 secs Computing kpt #: 142 total cpu time spent up to now is 86.1 secs Computing kpt #: 143 total cpu time spent up to now is 86.8 secs Computing kpt #: 144 total cpu time spent up to now is 87.3 secs Computing kpt #: 145 total cpu time spent up to now is 87.9 secs Computing kpt #: 146 total cpu time spent up to now is 88.5 secs Computing kpt #: 147 total cpu time spent up to now is 89.0 secs Computing kpt #: 148 total cpu time spent up to now is 89.6 secs Computing kpt #: 149 total cpu time spent up to now is 90.2 secs Computing kpt #: 150 total cpu time spent up to now is 90.7 secs Computing kpt #: 151 total cpu time spent up to now is 91.3 secs Computing kpt #: 152 total cpu time spent up to now is 91.9 secs Computing kpt #: 153 total cpu time spent up to now is 92.4 secs Computing kpt #: 154 total cpu time spent up to now is 93.0 secs Computing kpt #: 155 total cpu time spent up to now is 93.5 secs Computing kpt #: 156 total cpu time spent up to now is 94.1 secs Computing kpt #: 157 total cpu time spent up to now is 94.7 secs Computing kpt #: 158 total cpu time spent up to now is 95.2 secs Computing kpt #: 159 total cpu time spent up to now is 95.7 secs Computing kpt #: 160 total cpu time spent up to now is 96.3 secs Computing kpt #: 161 total cpu time spent up to now is 96.9 secs Computing kpt #: 162 total cpu time spent up to now is 97.4 secs Computing kpt #: 163 total cpu time spent up to now is 98.0 secs Computing kpt #: 164 total cpu time spent up to now is 98.6 secs Computing kpt #: 165 total cpu time spent up to now is 99.2 secs Computing kpt #: 166 total cpu time spent up to now is 99.8 secs Computing kpt #: 167 total cpu time spent up to now is 100.4 secs Computing kpt #: 168 total cpu time spent up to now is 101.2 secs Computing kpt #: 169 total cpu time spent up to now is 102.0 secs Computing kpt #: 170 total cpu time spent up to now is 102.7 secs Computing kpt #: 171 total cpu time spent up to now is 103.6 secs Computing kpt #: 172 total cpu time spent up to now is 104.2 secs Computing kpt #: 173 total cpu time spent up to now is 104.8 secs Computing kpt #: 174 total cpu time spent up to now is 105.3 secs Computing kpt #: 175 total cpu time spent up to now is 105.9 secs Computing kpt #: 176 total cpu time spent up to now is 106.4 secs Computing kpt #: 177 total cpu time spent up to now is 106.9 secs Computing kpt #: 178 total cpu time spent up to now is 107.5 secs Computing kpt #: 179 total cpu time spent up to now is 108.0 secs Computing kpt #: 180 total cpu time spent up to now is 108.5 secs Computing kpt #: 181 total cpu time spent up to now is 109.0 secs Computing kpt #: 182 total cpu time spent up to now is 109.5 secs Computing kpt #: 183 total cpu time spent up to now is 110.0 secs Computing kpt #: 184 total cpu time spent up to now is 110.5 secs Computing kpt #: 185 total cpu time spent up to now is 111.0 secs Computing kpt #: 186 total cpu time spent up to now is 111.5 secs Computing kpt #: 187 total cpu time spent up to now is 111.9 secs Computing kpt #: 188 total cpu time spent up to now is 112.4 secs Computing kpt #: 189 total cpu time spent up to now is 112.9 secs Computing kpt #: 190 total cpu time spent up to now is 113.4 secs Computing kpt #: 191 total cpu time spent up to now is 113.9 secs Computing kpt #: 192 total cpu time spent up to now is 114.4 secs Computing kpt #: 193 total cpu time spent up to now is 114.9 secs Computing kpt #: 194 total cpu time spent up to now is 115.3 secs Computing kpt #: 195 total cpu time spent up to now is 115.9 secs Computing kpt #: 196 total cpu time spent up to now is 116.3 secs Computing kpt #: 197 total cpu time spent up to now is 116.9 secs Computing kpt #: 198 total cpu time spent up to now is 117.4 secs Computing kpt #: 199 total cpu time spent up to now is 118.0 secs Computing kpt #: 200 total cpu time spent up to now is 118.5 secs Computing kpt #: 201 total cpu time spent up to now is 119.1 secs Computing kpt #: 202 total cpu time spent up to now is 119.7 secs Computing kpt #: 203 total cpu time spent up to now is 120.2 secs Computing kpt #: 204 total cpu time spent up to now is 120.8 secs Computing kpt #: 205 total cpu time spent up to now is 121.3 secs Computing kpt #: 206 total cpu time spent up to now is 121.9 secs Computing kpt #: 207 total cpu time spent up to now is 122.5 secs Computing kpt #: 208 total cpu time spent up to now is 123.0 secs Computing kpt #: 209 total cpu time spent up to now is 123.6 secs Computing kpt #: 210 total cpu time spent up to now is 124.2 secs Computing kpt #: 211 total cpu time spent up to now is 124.7 secs Computing kpt #: 212 total cpu time spent up to now is 125.3 secs Computing kpt #: 213 total cpu time spent up to now is 125.7 secs Computing kpt #: 214 total cpu time spent up to now is 126.3 secs Computing kpt #: 215 total cpu time spent up to now is 126.8 secs Computing kpt #: 216 total cpu time spent up to now is 127.4 secs Computing kpt #: 217 total cpu time spent up to now is 128.0 secs Computing kpt #: 218 total cpu time spent up to now is 128.6 secs Computing kpt #: 219 total cpu time spent up to now is 129.2 secs Computing kpt #: 220 total cpu time spent up to now is 129.9 secs Computing kpt #: 221 total cpu time spent up to now is 130.7 secs Computing kpt #: 222 total cpu time spent up to now is 131.2 secs Computing kpt #: 223 total cpu time spent up to now is 131.8 secs Computing kpt #: 224 total cpu time spent up to now is 132.5 secs Computing kpt #: 225 total cpu time spent up to now is 133.1 secs Computing kpt #: 226 total cpu time spent up to now is 133.8 secs Computing kpt #: 227 total cpu time spent up to now is 134.3 secs Computing kpt #: 228 total cpu time spent up to now is 135.0 secs Computing kpt #: 229 total cpu time spent up to now is 135.6 secs Computing kpt #: 230 total cpu time spent up to now is 136.3 secs Computing kpt #: 231 total cpu time spent up to now is 136.9 secs Computing kpt #: 232 total cpu time spent up to now is 137.6 secs Computing kpt #: 233 total cpu time spent up to now is 138.1 secs Computing kpt #: 234 total cpu time spent up to now is 138.8 secs Computing kpt #: 235 total cpu time spent up to now is 139.4 secs Computing kpt #: 236 total cpu time spent up to now is 140.0 secs Computing kpt #: 237 total cpu time spent up to now is 140.6 secs Computing kpt #: 238 total cpu time spent up to now is 141.2 secs Computing kpt #: 239 total cpu time spent up to now is 141.8 secs Computing kpt #: 240 total cpu time spent up to now is 142.6 secs Computing kpt #: 241 total cpu time spent up to now is 143.3 secs Computing kpt #: 242 total cpu time spent up to now is 143.9 secs Computing kpt #: 243 total cpu time spent up to now is 144.6 secs Computing kpt #: 244 total cpu time spent up to now is 145.2 secs Computing kpt #: 245 total cpu time spent up to now is 145.9 secs Computing kpt #: 246 total cpu time spent up to now is 146.6 secs Computing kpt #: 247 total cpu time spent up to now is 147.2 secs Computing kpt #: 248 total cpu time spent up to now is 147.9 secs Computing kpt #: 249 total cpu time spent up to now is 148.5 secs Computing kpt #: 250 total cpu time spent up to now is 149.1 secs Computing kpt #: 251 total cpu time spent up to now is 149.6 secs Computing kpt #: 252 total cpu time spent up to now is 150.2 secs Computing kpt #: 253 total cpu time spent up to now is 150.8 secs Computing kpt #: 254 total cpu time spent up to now is 151.6 secs Computing kpt #: 255 total cpu time spent up to now is 152.1 secs Computing kpt #: 256 total cpu time spent up to now is 152.8 secs Computing kpt #: 257 total cpu time spent up to now is 153.3 secs Computing kpt #: 258 total cpu time spent up to now is 154.3 secs Computing kpt #: 259 total cpu time spent up to now is 155.4 secs Computing kpt #: 260 total cpu time spent up to now is 156.3 secs Computing kpt #: 261 total cpu time spent up to now is 156.9 secs Computing kpt #: 262 total cpu time spent up to now is 157.5 secs Computing kpt #: 263 total cpu time spent up to now is 158.0 secs Computing kpt #: 264 total cpu time spent up to now is 158.6 secs Computing kpt #: 265 total cpu time spent up to now is 159.2 secs Computing kpt #: 266 total cpu time spent up to now is 159.7 secs Computing kpt #: 267 total cpu time spent up to now is 160.3 secs Computing kpt #: 268 total cpu time spent up to now is 160.8 secs Computing kpt #: 269 total cpu time spent up to now is 161.3 secs Computing kpt #: 270 total cpu time spent up to now is 161.9 secs Computing kpt #: 271 total cpu time spent up to now is 162.5 secs Computing kpt #: 272 total cpu time spent up to now is 163.1 secs Computing kpt #: 273 total cpu time spent up to now is 163.7 secs Computing kpt #: 274 total cpu time spent up to now is 164.2 secs Computing kpt #: 275 total cpu time spent up to now is 164.7 secs Computing kpt #: 276 total cpu time spent up to now is 165.2 secs Computing kpt #: 277 total cpu time spent up to now is 165.7 secs Computing kpt #: 278 total cpu time spent up to now is 166.2 secs Computing kpt #: 279 total cpu time spent up to now is 166.7 secs Computing kpt #: 280 total cpu time spent up to now is 167.1 secs Computing kpt #: 281 total cpu time spent up to now is 167.7 secs Computing kpt #: 282 total cpu time spent up to now is 168.2 secs Computing kpt #: 283 total cpu time spent up to now is 168.7 secs Computing kpt #: 284 total cpu time spent up to now is 169.2 secs Computing kpt #: 285 total cpu time spent up to now is 169.8 secs Computing kpt #: 286 total cpu time spent up to now is 170.4 secs Computing kpt #: 287 total cpu time spent up to now is 170.9 secs Computing kpt #: 288 total cpu time spent up to now is 171.4 secs Computing kpt #: 289 total cpu time spent up to now is 172.0 secs Computing kpt #: 290 total cpu time spent up to now is 172.6 secs Computing kpt #: 291 total cpu time spent up to now is 173.1 secs Computing kpt #: 292 total cpu time spent up to now is 173.7 secs Computing kpt #: 293 total cpu time spent up to now is 174.3 secs Computing kpt #: 294 total cpu time spent up to now is 174.9 secs Computing kpt #: 295 total cpu time spent up to now is 175.5 secs Computing kpt #: 296 total cpu time spent up to now is 176.0 secs Computing kpt #: 297 total cpu time spent up to now is 176.5 secs Computing kpt #: 298 total cpu time spent up to now is 177.3 secs Computing kpt #: 299 total cpu time spent up to now is 177.8 secs Computing kpt #: 300 total cpu time spent up to now is 178.4 secs Computing kpt #: 301 total cpu time spent up to now is 178.9 secs Computing kpt #: 302 total cpu time spent up to now is 179.4 secs Computing kpt #: 303 total cpu time spent up to now is 179.9 secs Computing kpt #: 304 total cpu time spent up to now is 180.5 secs Computing kpt #: 305 total cpu time spent up to now is 181.2 secs Computing kpt #: 306 total cpu time spent up to now is 181.8 secs Computing kpt #: 307 total cpu time spent up to now is 182.4 secs Computing kpt #: 308 total cpu time spent up to now is 183.1 secs Computing kpt #: 309 total cpu time spent up to now is 183.7 secs Computing kpt #: 310 total cpu time spent up to now is 184.3 secs Computing kpt #: 311 total cpu time spent up to now is 184.9 secs Computing kpt #: 312 total cpu time spent up to now is 185.5 secs Computing kpt #: 313 total cpu time spent up to now is 186.0 secs Computing kpt #: 314 total cpu time spent up to now is 186.6 secs Computing kpt #: 315 total cpu time spent up to now is 187.2 secs Computing kpt #: 316 total cpu time spent up to now is 187.8 secs Computing kpt #: 317 total cpu time spent up to now is 188.4 secs Computing kpt #: 318 total cpu time spent up to now is 189.0 secs Computing kpt #: 319 total cpu time spent up to now is 189.5 secs Computing kpt #: 320 total cpu time spent up to now is 190.2 secs Computing kpt #: 321 total cpu time spent up to now is 190.8 secs Computing kpt #: 322 total cpu time spent up to now is 191.3 secs Computing kpt #: 323 total cpu time spent up to now is 191.8 secs Computing kpt #: 324 total cpu time spent up to now is 192.4 secs Computing kpt #: 325 total cpu time spent up to now is 193.0 secs Computing kpt #: 326 total cpu time spent up to now is 193.5 secs Computing kpt #: 327 total cpu time spent up to now is 194.2 secs Computing kpt #: 328 total cpu time spent up to now is 194.7 secs ethr = 2.78E-08, avg # of iterations = 24.0 total cpu time spent up to now is 194.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4753 -9.4753 -9.4753 -9.4753 -8.4480 -8.4480 -8.4448 -8.4448 -8.4448 -8.4448 2.3336 2.3336 5.8502 5.8502 5.8502 5.8502 6.9333 6.9333 7.3912 7.3912 7.3912 7.3912 11.9504 11.9504 12.5394 12.5394 12.5394 12.5394 14.0532 14.0532 14.0532 14.0532 14.2532 14.2532 14.8601 14.8601 k = 0.0102-0.0059 0.0083 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4754 -9.4754 -9.4753 -9.4753 -8.4480 -8.4480 -8.4449 -8.4449 -8.4448 -8.4448 2.3351 2.3351 5.8461 5.8461 5.8542 5.8542 6.9332 6.9332 7.3848 7.3848 7.3977 7.3977 11.9465 11.9465 12.5333 12.5333 12.5364 12.5364 14.0387 14.0387 14.0604 14.0604 14.2477 14.2477 14.8687 14.8687 k = 0.0204-0.0118 0.0167 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4754 -9.4754 -9.4752 -9.4752 -8.4480 -8.4480 -8.4450 -8.4450 -8.4447 -8.4447 2.3396 2.3396 5.8421 5.8421 5.8583 5.8583 6.9328 6.9328 7.3787 7.3787 7.4043 7.4043 11.9347 11.9347 12.5151 12.5151 12.5274 12.5274 14.0132 14.0132 14.0634 14.0634 14.2359 14.2359 14.8906 14.8906 k = 0.0306-0.0177 0.0250 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0863 -16.0863 -16.0862 -16.0862 -9.4755 -9.4755 -9.4751 -9.4751 -8.4480 -8.4480 -8.4450 -8.4450 -8.4446 -8.4446 2.3471 2.3471 5.8380 5.8380 5.8625 5.8625 6.9321 6.9321 7.3728 7.3728 7.4109 7.4109 11.9150 11.9150 12.4856 12.4856 12.5126 12.5126 13.9742 13.9742 14.0640 14.0640 14.2256 14.2256 14.9191 14.9191 k = 0.0408-0.0236 0.0333 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0864 -16.0864 -16.0862 -16.0862 -9.4755 -9.4755 -9.4750 -9.4750 -8.4480 -8.4480 -8.4450 -8.4450 -8.4444 -8.4444 2.3575 2.3575 5.8338 5.8338 5.8667 5.8667 6.9311 6.9311 7.3672 7.3672 7.4175 7.4175 11.8873 11.8873 12.4459 12.4459 12.4923 12.4923 13.9234 13.9234 14.0630 14.0630 14.2217 14.2217 14.9496 14.9496 k = 0.0510-0.0295 0.0417 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0865 -16.0865 -16.0863 -16.0863 -9.4755 -9.4755 -9.4749 -9.4749 -8.4479 -8.4479 -8.4450 -8.4450 -8.4443 -8.4443 2.3709 2.3709 5.8294 5.8294 5.8711 5.8711 6.9299 6.9299 7.3621 7.3621 7.4241 7.4241 11.8515 11.8515 12.3976 12.3976 12.4668 12.4668 13.8651 13.8651 14.0609 14.0609 14.2241 14.2241 14.9807 14.9807 k = 0.0612-0.0353 0.0500 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5929 -16.5929 -16.0867 -16.0867 -16.0863 -16.0863 -9.4755 -9.4755 -9.4748 -9.4748 -8.4479 -8.4479 -8.4450 -8.4450 -8.4441 -8.4441 2.3872 2.3872 5.8250 5.8250 5.8756 5.8756 6.9283 6.9283 7.3574 7.3574 7.4306 7.4306 11.8075 11.8075 12.3424 12.3424 12.4367 12.4367 13.8033 13.8033 14.0578 14.0578 14.2316 14.2316 15.0124 15.0124 k = 0.0714-0.0412 0.0583 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5930 -16.5930 -16.0868 -16.0868 -16.0864 -16.0864 -9.4755 -9.4755 -9.4747 -9.4747 -8.4479 -8.4479 -8.4450 -8.4450 -8.4440 -8.4440 2.4065 2.4065 5.8203 5.8203 5.8803 5.8803 6.9266 6.9266 7.3533 7.3533 7.4369 7.4369 11.7553 11.7553 12.2822 12.2822 12.4023 12.4023 13.7408 13.7408 14.0540 14.0540 14.2429 14.2429 15.0445 15.0445 k = 0.0816-0.0471 0.0667 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5931 -16.5931 -16.0870 -16.0870 -16.0864 -16.0864 -9.4756 -9.4756 -9.4746 -9.4746 -8.4478 -8.4478 -8.4450 -8.4450 -8.4438 -8.4438 2.4286 2.4286 5.8155 5.8155 5.8852 5.8852 6.9245 6.9245 7.3497 7.3497 7.4431 7.4431 11.6946 11.6946 12.2190 12.2190 12.3642 12.3642 13.6790 13.6790 14.0494 14.0494 14.2569 14.2569 15.0769 15.0769 k = 0.0918-0.0530 0.0750 ( 2725 PWs) bands (ev): -37.6157 -37.6157 -16.5931 -16.5931 -16.0872 -16.0872 -16.0864 -16.0864 -9.4756 -9.4756 -9.4744 -9.4744 -8.4477 -8.4477 -8.4449 -8.4449 -8.4436 -8.4436 2.4535 2.4535 5.8104 5.8104 5.8902 5.8902 6.9223 6.9223 7.3467 7.3467 7.4491 7.4491 11.6258 11.6258 12.1544 12.1544 12.3230 12.3230 13.6187 13.6187 14.0441 14.0441 14.2732 14.2732 15.1091 15.1091 k = 0.1020-0.0589 0.0833 ( 2733 PWs) bands (ev): -37.6157 -37.6157 -16.5933 -16.5933 -16.0875 -16.0875 -16.0865 -16.0865 -9.4756 -9.4756 -9.4743 -9.4743 -8.4477 -8.4477 -8.4448 -8.4448 -8.4434 -8.4434 2.4812 2.4812 5.8051 5.8051 5.8954 5.8954 6.9198 6.9198 7.3444 7.3444 7.4550 7.4550 11.5491 11.5491 12.0896 12.0896 12.2790 12.2790 13.5604 13.5604 14.0381 14.0381 14.2912 14.2912 15.1403 15.1403 k = 0.1122-0.0648 0.0916 ( 2734 PWs) bands (ev): -37.6157 -37.6157 -16.5934 -16.5934 -16.0878 -16.0878 -16.0866 -16.0866 -9.4756 -9.4756 -9.4741 -9.4741 -8.4476 -8.4476 -8.4447 -8.4447 -8.4432 -8.4432 2.5116 2.5116 5.7995 5.7995 5.9007 5.9007 6.9172 6.9172 7.3428 7.3428 7.4606 7.4606 11.4651 11.4651 12.0256 12.0256 12.2327 12.2327 13.5040 13.5040 14.0315 14.0315 14.3107 14.3107 15.1699 15.1699 k = 0.1224-0.0707 0.1000 ( 2742 PWs) bands (ev): -37.6157 -37.6157 -16.5935 -16.5935 -16.0881 -16.0881 -16.0867 -16.0867 -9.4756 -9.4756 -9.4740 -9.4740 -8.4476 -8.4476 -8.4447 -8.4447 -8.4431 -8.4431 2.5447 2.5447 5.7936 5.7936 5.9063 5.9063 6.9144 6.9144 7.3419 7.3419 7.4661 7.4661 11.3746 11.3746 11.9630 11.9630 12.1845 12.1845 13.4497 13.4497 14.0244 14.0244 14.3315 14.3315 15.1969 15.1969 k = 0.1327-0.0766 0.1083 ( 2742 PWs) bands (ev): -37.6157 -37.6157 -16.5937 -16.5937 -16.0883 -16.0883 -16.0868 -16.0868 -9.4756 -9.4756 -9.4738 -9.4738 -8.4476 -8.4476 -8.4445 -8.4445 -8.4428 -8.4428 2.5804 2.5804 5.7874 5.7874 5.9120 5.9120 6.9116 6.9116 7.3416 7.3416 7.4714 7.4714 11.2787 11.2787 11.9019 11.9019 12.1349 12.1349 13.3973 13.3973 14.0166 14.0166 14.3533 14.3533 15.2206 15.2206 k = 0.1429-0.0825 0.1166 ( 2742 PWs) bands (ev): -37.6156 -37.6156 -16.5938 -16.5938 -16.0886 -16.0886 -16.0868 -16.0868 -9.4756 -9.4756 -9.4736 -9.4736 -8.4476 -8.4476 -8.4444 -8.4444 -8.4426 -8.4426 2.6187 2.6187 5.7811 5.7811 5.9180 5.9180 6.9086 6.9086 7.3421 7.3421 7.4765 7.4765 11.1783 11.1783 11.8425 11.8425 12.0842 12.0842 13.3469 13.3469 14.0083 14.0083 14.3762 14.3762 15.2401 15.2401 k = 0.1531-0.0884 0.1250 ( 2738 PWs) bands (ev): -37.6156 -37.6156 -16.5939 -16.5939 -16.0889 -16.0889 -16.0869 -16.0869 -9.4756 -9.4756 -9.4735 -9.4735 -8.4476 -8.4476 -8.4442 -8.4442 -8.4424 -8.4424 2.6593 2.6593 5.7745 5.7745 5.9241 5.9241 6.9057 6.9057 7.3433 7.3433 7.4814 7.4814 11.0744 11.0744 11.7846 11.7846 12.0327 12.0327 13.2982 13.2982 13.9995 13.9995 14.3999 14.3999 15.2548 15.2548 k = 0.1633-0.0943 0.1333 ( 2738 PWs) bands (ev): -37.6156 -37.6156 -16.5941 -16.5941 -16.0893 -16.0893 -16.0870 -16.0870 -9.4756 -9.4756 -9.4733 -9.4733 -8.4476 -8.4476 -8.4440 -8.4440 -8.4422 -8.4422 2.7023 2.7023 5.7677 5.7677 5.9304 5.9304 6.9028 6.9028 7.3450 7.3450 7.4863 7.4863 10.9677 10.9677 11.7282 11.7282 11.9808 11.9808 13.2514 13.2514 13.9903 13.9903 14.4245 14.4245 15.2642 15.2642 k = 0.1735-0.1002 0.1416 ( 2738 PWs) bands (ev): -37.6155 -37.6155 -16.5942 -16.5942 -16.0896 -16.0896 -16.0871 -16.0871 -9.4756 -9.4756 -9.4731 -9.4731 -8.4476 -8.4476 -8.4438 -8.4438 -8.4420 -8.4420 2.7476 2.7476 5.7607 5.7607 5.9368 5.9368 6.9000 6.9000 7.3474 7.3474 7.4910 7.4910 10.8589 10.8589 11.6732 11.6732 11.9286 11.9286 13.2063 13.2063 13.9806 13.9806 14.4498 14.4498 15.2677 15.2677 k = 0.1837-0.1060 0.1500 ( 2750 PWs) bands (ev): -37.6155 -37.6155 -16.5944 -16.5944 -16.0900 -16.0900 -16.0872 -16.0872 -9.4757 -9.4757 -9.4730 -9.4730 -8.4476 -8.4476 -8.4437 -8.4437 -8.4418 -8.4418 2.7949 2.7949 5.7536 5.7536 5.9434 5.9434 6.8973 6.8973 7.3504 7.3504 7.4956 7.4956 10.7487 10.7487 11.6196 11.6196 11.8764 11.8764 13.1629 13.1629 13.9705 13.9705 14.4758 14.4758 15.2653 15.2653 k = 0.1939-0.1119 0.1583 ( 2750 PWs) bands (ev): -37.6155 -37.6155 -16.5945 -16.5945 -16.0903 -16.0903 -16.0873 -16.0873 -9.4757 -9.4757 -9.4728 -9.4728 -8.4476 -8.4476 -8.4434 -8.4434 -8.4416 -8.4416 2.8443 2.8443 5.7466 5.7466 5.9502 5.9502 6.8948 6.8948 7.3538 7.3538 7.5002 7.5002 10.6375 10.6375 11.5674 11.5674 11.8244 11.8244 13.1212 13.1212 13.9601 13.9601 14.5025 14.5025 15.2567 15.2567 k = 0.2041-0.1178 0.1666 ( 2750 PWs) bands (ev): -37.6154 -37.6154 -16.5947 -16.5947 -16.0906 -16.0906 -16.0874 -16.0874 -9.4757 -9.4757 -9.4727 -9.4727 -8.4477 -8.4477 -8.4432 -8.4432 -8.4415 -8.4415 2.8955 2.8955 5.7395 5.7395 5.9571 5.9571 6.8924 6.8924 7.3577 7.3577 7.5049 7.5049 10.5257 10.5257 11.5165 11.5165 11.7729 11.7729 13.0812 13.0812 13.9494 13.9494 14.5298 14.5298 15.2423 15.2423 k = 0.2143-0.1237 0.1750 ( 2738 PWs) bands (ev): -37.6154 -37.6154 -16.5948 -16.5948 -16.0909 -16.0909 -16.0875 -16.0875 -9.4757 -9.4757 -9.4725 -9.4725 -8.4477 -8.4477 -8.4430 -8.4430 -8.4412 -8.4412 2.9484 2.9484 5.7327 5.7327 5.9642 5.9642 6.8903 6.8903 7.3620 7.3620 7.5095 7.5095 10.4137 10.4137 11.4669 11.4669 11.7220 11.7220 13.0430 13.0430 13.9384 13.9384 14.5576 14.5576 15.2221 15.2221 k = 0.2245-0.1296 0.1833 ( 2738 PWs) bands (ev): -37.6154 -37.6154 -16.5949 -16.5949 -16.0912 -16.0912 -16.0876 -16.0876 -9.4757 -9.4757 -9.4724 -9.4724 -8.4477 -8.4477 -8.4428 -8.4428 -8.4411 -8.4411 3.0029 3.0029 5.7262 5.7262 5.9715 5.9715 6.8883 6.8883 7.3666 7.3666 7.5143 7.5143 10.3015 10.3015 11.4188 11.4188 11.6717 11.6717 13.0063 13.0063 13.9272 13.9272 14.5858 14.5858 15.1968 15.1968 k = 0.2347-0.1355 0.1916 ( 2738 PWs) bands (ev): -37.6153 -37.6153 -16.5951 -16.5951 -16.0915 -16.0915 -16.0877 -16.0877 -9.4757 -9.4757 -9.4722 -9.4722 -8.4478 -8.4478 -8.4426 -8.4426 -8.4409 -8.4409 3.0587 3.0587 5.7200 5.7200 5.9789 5.9789 6.8866 6.8866 7.3715 7.3715 7.5192 7.5192 10.1894 10.1894 11.3720 11.3720 11.6224 11.6224 12.9713 12.9713 13.9159 13.9159 14.6144 14.6144 15.1669 15.1669 k = 0.2449-0.1414 0.2000 ( 2722 PWs) bands (ev): -37.6153 -37.6153 -16.5952 -16.5952 -16.0918 -16.0918 -16.0878 -16.0878 -9.4756 -9.4756 -9.4721 -9.4721 -8.4478 -8.4478 -8.4423 -8.4423 -8.4407 -8.4407 3.1156 3.1156 5.7144 5.7144 5.9865 5.9865 6.8850 6.8850 7.3765 7.3765 7.5244 7.5244 10.0776 10.0776 11.3268 11.3268 11.5741 11.5741 12.9379 12.9379 13.9045 13.9045 14.6432 14.6432 15.1331 15.1331 k = 0.2551-0.1473 0.2083 ( 2730 PWs) bands (ev): -37.6153 -37.6153 -16.5953 -16.5953 -16.0922 -16.0922 -16.0879 -16.0879 -9.4756 -9.4756 -9.4720 -9.4720 -8.4478 -8.4478 -8.4422 -8.4422 -8.4405 -8.4405 3.1735 3.1735 5.7095 5.7095 5.9943 5.9943 6.8836 6.8836 7.3817 7.3817 7.5297 7.5297 9.9661 9.9661 11.2830 11.2830 11.5268 11.5268 12.9062 12.9062 13.8930 13.8930 14.6721 14.6721 15.0960 15.0960 k = 0.2653-0.1532 0.2166 ( 2754 PWs) bands (ev): -37.6152 -37.6152 -16.5956 -16.5956 -16.0925 -16.0925 -16.0881 -16.0881 -9.4757 -9.4757 -9.4720 -9.4720 -8.4479 -8.4479 -8.4421 -8.4421 -8.4404 -8.4404 3.2320 3.2320 5.7053 5.7053 6.0023 6.0023 6.8823 6.8823 7.3869 7.3869 7.5352 7.5352 9.8550 9.8550 11.2408 11.2408 11.4808 11.4808 12.8760 12.8760 13.8814 13.8814 14.7009 14.7009 15.0563 15.0563 k = 0.2755-0.1591 0.2250 ( 2754 PWs) bands (ev): -37.6152 -37.6152 -16.5957 -16.5957 -16.0928 -16.0928 -16.0882 -16.0882 -9.4757 -9.4757 -9.4719 -9.4719 -8.4480 -8.4480 -8.4420 -8.4420 -8.4402 -8.4402 3.2909 3.2909 5.7022 5.7022 6.0106 6.0106 6.8811 6.8811 7.3922 7.3922 7.5411 7.5411 9.7445 9.7445 11.2001 11.2001 11.4360 11.4360 12.8475 12.8475 13.8699 13.8699 14.7294 14.7294 15.0148 15.0148 k = 0.2857-0.1650 0.2333 ( 2754 PWs) bands (ev): -37.6152 -37.6152 -16.5958 -16.5958 -16.0931 -16.0931 -16.0883 -16.0883 -9.4757 -9.4757 -9.4719 -9.4719 -8.4480 -8.4480 -8.4420 -8.4420 -8.4400 -8.4400 3.3500 3.3500 5.7002 5.7002 6.0193 6.0193 6.8800 6.8800 7.3976 7.3976 7.5472 7.5472 9.6346 9.6346 11.1611 11.1611 11.3927 11.3927 12.8205 12.8205 13.8584 13.8584 14.7573 14.7573 14.9721 14.9721 k = 0.2959-0.1708 0.2416 ( 2750 PWs) bands (ev): -37.6151 -37.6151 -16.5959 -16.5959 -16.0933 -16.0933 -16.0884 -16.0884 -9.4757 -9.4757 -9.4718 -9.4718 -8.4481 -8.4481 -8.4419 -8.4419 -8.4398 -8.4398 3.4089 3.4089 5.6996 5.6996 6.0284 6.0284 6.8787 6.8787 7.4029 7.4029 7.5536 7.5536 9.5255 9.5255 11.1237 11.1237 11.3508 11.3508 12.7951 12.7951 13.8472 13.8472 14.7839 14.7839 14.9290 14.9290 k = 0.3061-0.1767 0.2499 ( 2746 PWs) bands (ev): -37.6151 -37.6151 -16.5960 -16.5960 -16.0936 -16.0936 -16.0885 -16.0885 -9.4757 -9.4757 -9.4718 -9.4718 -8.4481 -8.4481 -8.4419 -8.4419 -8.4395 -8.4395 3.4673 3.4673 5.7003 5.7003 6.0381 6.0381 6.8774 6.8774 7.4084 7.4084 7.5603 7.5603 9.4171 9.4171 11.0880 11.0880 11.3105 11.3105 12.7712 12.7712 13.8360 13.8360 14.8076 14.8076 14.8864 14.8864 k = 0.3163-0.1826 0.2583 ( 2746 PWs) bands (ev): -37.6151 -37.6151 -16.5961 -16.5961 -16.0938 -16.0938 -16.0886 -16.0886 -9.4757 -9.4757 -9.4718 -9.4718 -8.4481 -8.4481 -8.4419 -8.4419 -8.4393 -8.4393 3.5249 3.5249 5.7025 5.7025 6.0484 6.0484 6.8757 6.8757 7.4138 7.4138 7.5671 7.5671 9.3096 9.3096 11.0540 11.0540 11.2718 11.2718 12.7488 12.7488 13.8252 13.8252 14.8205 14.8205 14.8493 14.8493 k = 0.3265-0.1885 0.2666 ( 2754 PWs) bands (ev): -37.6150 -37.6150 -16.5963 -16.5963 -16.0941 -16.0941 -16.0887 -16.0887 -9.4757 -9.4757 -9.4718 -9.4718 -8.4482 -8.4482 -8.4420 -8.4420 -8.4391 -8.4391 3.5814 3.5814 5.7063 5.7063 6.0596 6.0596 6.8737 6.8737 7.4194 7.4194 7.5742 7.5742 9.2031 9.2031 11.0218 11.0218 11.2347 11.2347 12.7278 12.7278 13.8146 13.8146 14.7938 14.7938 14.8344 14.8344 k = 0.3367-0.1944 0.2749 ( 2754 PWs) bands (ev): -37.6150 -37.6150 -16.5964 -16.5964 -16.0943 -16.0943 -16.0888 -16.0888 -9.4757 -9.4757 -9.4718 -9.4718 -8.4482 -8.4482 -8.4420 -8.4420 -8.4389 -8.4389 3.6363 3.6363 5.7117 5.7117 6.0718 6.0718 6.8713 6.8713 7.4252 7.4252 7.5814 7.5814 9.0978 9.0978 10.9913 10.9913 11.1993 11.1993 12.7083 12.7083 13.8043 13.8043 14.7540 14.7540 14.8064 14.8064 k = 0.3469-0.2003 0.2833 ( 2754 PWs) bands (ev): -37.6150 -37.6150 -16.5965 -16.5965 -16.0945 -16.0945 -16.0889 -16.0889 -9.4757 -9.4757 -9.4718 -9.4718 -8.4482 -8.4482 -8.4421 -8.4421 -8.4386 -8.4386 3.6893 3.6893 5.7187 5.7187 6.0853 6.0853 6.8682 6.8682 7.4312 7.4312 7.5887 7.5887 8.9938 8.9938 10.9626 10.9626 11.1658 11.1658 12.6902 12.6902 13.7945 13.7945 14.7142 14.7142 14.7689 14.7689 k = 0.3571-0.2062 0.2916 ( 2754 PWs) bands (ev): -37.6150 -37.6150 -16.5965 -16.5965 -16.0947 -16.0947 -16.0890 -16.0890 -9.4757 -9.4757 -9.4719 -9.4719 -8.4483 -8.4483 -8.4422 -8.4422 -8.4384 -8.4384 3.7401 3.7401 5.7271 5.7271 6.1003 6.1003 6.8643 6.8643 7.4376 7.4376 7.5959 7.5959 8.8913 8.8913 10.9358 10.9358 11.1341 11.1341 12.6734 12.6734 13.7850 13.7850 14.6758 14.6758 14.7298 14.7298 k = 0.3673-0.2121 0.2999 ( 2758 PWs) bands (ev): -37.6149 -37.6149 -16.5966 -16.5966 -16.0949 -16.0949 -16.0891 -16.0891 -9.4757 -9.4757 -9.4719 -9.4719 -8.4483 -8.4483 -8.4423 -8.4423 -8.4383 -8.4383 3.7883 3.7883 5.7368 5.7368 6.1171 6.1171 6.8595 6.8595 7.4443 7.4443 7.6031 7.6031 8.7907 8.7907 10.9107 10.9107 11.1043 11.1043 12.6580 12.6580 13.7761 13.7761 14.6392 14.6392 14.6913 14.6913 k = 0.3776-0.2180 0.3083 ( 2750 PWs) bands (ev): -37.6149 -37.6149 -16.5967 -16.5967 -16.0950 -16.0950 -16.0891 -16.0891 -9.4757 -9.4757 -9.4719 -9.4719 -8.4483 -8.4483 -8.4424 -8.4424 -8.4380 -8.4380 3.8337 3.8337 5.7475 5.7475 6.1362 6.1362 6.8536 6.8536 7.4517 7.4517 7.6101 7.6101 8.6922 8.6922 10.8876 10.8876 11.0765 11.0765 12.6439 12.6439 13.7676 13.7676 14.6047 14.6047 14.6542 14.6542 k = 0.3878-0.2239 0.3166 ( 2754 PWs) bands (ev): -37.6149 -37.6149 -16.5968 -16.5968 -16.0952 -16.0952 -16.0892 -16.0892 -9.4757 -9.4757 -9.4720 -9.4720 -8.4483 -8.4483 -8.4426 -8.4426 -8.4379 -8.4379 3.8760 3.8760 5.7588 5.7588 6.1576 6.1576 6.8463 6.8463 7.4597 7.4597 7.6169 7.6169 8.5961 8.5961 10.8662 10.8662 11.0507 11.0507 12.6310 12.6310 13.7597 13.7597 14.5725 14.5725 14.6190 14.6190 k = 0.3980-0.2298 0.3249 ( 2750 PWs) bands (ev): -37.6149 -37.6149 -16.5968 -16.5968 -16.0953 -16.0953 -16.0892 -16.0892 -9.4756 -9.4756 -9.4720 -9.4720 -8.4483 -8.4483 -8.4427 -8.4427 -8.4377 -8.4377 3.9149 3.9149 5.7704 5.7704 6.1818 6.1818 6.8375 6.8375 7.4686 7.4686 7.6234 7.6234 8.5030 8.5030 10.8467 10.8467 11.0270 11.0270 12.6194 12.6194 13.7524 13.7524 14.5428 14.5428 14.5858 14.5858 k = 0.4082-0.2357 0.3333 ( 2754 PWs) bands (ev): -37.6148 -37.6148 -16.5969 -16.5969 -16.0954 -16.0954 -16.0893 -16.0893 -9.4756 -9.4756 -9.4721 -9.4721 -8.4483 -8.4483 -8.4429 -8.4429 -8.4375 -8.4375 3.9502 3.9502 5.7818 5.7818 6.2087 6.2087 6.8269 6.8269 7.4785 7.4785 7.6296 7.6296 8.4133 8.4133 10.8291 10.8291 11.0053 11.0053 12.6090 12.6090 13.7457 13.7457 14.5158 14.5158 14.5551 14.5551 k = 0.4184-0.2415 0.3416 ( 2750 PWs) bands (ev): -37.6148 -37.6148 -16.5969 -16.5969 -16.0955 -16.0955 -16.0894 -16.0894 -9.4756 -9.4756 -9.4721 -9.4721 -8.4484 -8.4484 -8.4429 -8.4429 -8.4373 -8.4373 3.9820 3.9820 5.7928 5.7928 6.2385 6.2385 6.8143 6.8143 7.4894 7.4894 7.6352 7.6352 8.3275 8.3275 10.8133 10.8133 10.9858 10.9858 12.5997 12.5997 13.7396 13.7396 14.4916 14.4916 14.5270 14.5270 k = 0.4286-0.2474 0.3499 ( 2750 PWs) bands (ev): -37.6148 -37.6148 -16.5970 -16.5970 -16.0956 -16.0956 -16.0894 -16.0894 -9.4756 -9.4756 -9.4721 -9.4721 -8.4484 -8.4484 -8.4430 -8.4430 -8.4372 -8.4372 4.0099 4.0099 5.8029 5.8029 6.2709 6.2709 6.7996 6.7996 7.5015 7.5015 7.6404 7.6404 8.2464 8.2464 10.7994 10.7994 10.9685 10.9685 12.5916 12.5916 13.7342 13.7342 14.4703 14.4703 14.5016 14.5016 k = 0.4388-0.2533 0.3583 ( 2746 PWs) bands (ev): -37.6148 -37.6148 -16.5970 -16.5970 -16.0956 -16.0956 -16.0895 -16.0895 -9.4756 -9.4756 -9.4722 -9.4722 -8.4484 -8.4484 -8.4431 -8.4431 -8.4371 -8.4371 4.0341 4.0341 5.8119 5.8119 6.3055 6.3055 6.7827 6.7827 7.5149 7.5149 7.6450 7.6450 8.1708 8.1708 10.7874 10.7874 10.9534 10.9534 12.5847 12.5847 13.7295 13.7295 14.4520 14.4520 14.4790 14.4790 k = 0.4490-0.2592 0.3666 ( 2754 PWs) bands (ev): -37.6148 -37.6148 -16.5971 -16.5971 -16.0957 -16.0957 -16.0895 -16.0895 -9.4756 -9.4756 -9.4722 -9.4722 -8.4484 -8.4484 -8.4432 -8.4432 -8.4370 -8.4370 4.0545 4.0545 5.8197 5.8197 6.3413 6.3413 6.7636 6.7636 7.5294 7.5294 7.6489 7.6489 8.1017 8.1017 10.7772 10.7772 10.9405 10.9405 12.5788 12.5788 13.7255 13.7255 14.4368 14.4368 14.4595 14.4595 k = 0.4592-0.2651 0.3749 ( 2754 PWs) bands (ev): -37.6148 -37.6148 -16.5971 -16.5971 -16.0958 -16.0958 -16.0895 -16.0895 -9.4756 -9.4756 -9.4723 -9.4723 -8.4484 -8.4484 -8.4433 -8.4433 -8.4369 -8.4369 4.0712 4.0712 5.8261 5.8261 6.3774 6.3774 6.7429 6.7429 7.5447 7.5447 7.6522 7.6522 8.0402 8.0402 10.7689 10.7689 10.9300 10.9300 12.5740 12.5740 13.7222 13.7222 14.4247 14.4247 14.4431 14.4431 k = 0.4694-0.2710 0.3833 ( 2754 PWs) bands (ev): -37.6148 -37.6148 -16.5971 -16.5971 -16.0958 -16.0958 -16.0896 -16.0896 -9.4756 -9.4756 -9.4723 -9.4723 -8.4484 -8.4484 -8.4434 -8.4434 -8.4368 -8.4368 4.0840 4.0840 5.8310 5.8310 6.4119 6.4119 6.7213 6.7213 7.5600 7.5600 7.6548 7.6548 7.9880 7.9880 10.7624 10.7624 10.9217 10.9217 12.5703 12.5703 13.7196 13.7196 14.4156 14.4156 14.4298 14.4298 k = 0.4796-0.2769 0.3916 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5972 -16.5972 -16.0959 -16.0959 -16.0896 -16.0896 -9.4756 -9.4756 -9.4724 -9.4724 -8.4485 -8.4485 -8.4435 -8.4435 -8.4368 -8.4368 4.0932 4.0932 5.8346 5.8346 6.4421 6.4421 6.7009 6.7009 7.5738 7.5738 7.6566 7.6566 7.9473 7.9473 10.7578 10.7578 10.9158 10.9158 12.5677 12.5677 13.7178 13.7178 14.4097 14.4097 14.4198 14.4198 k = 0.4898-0.2828 0.3999 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5972 -16.5972 -16.0960 -16.0960 -16.0896 -16.0896 -9.4756 -9.4756 -9.4724 -9.4724 -8.4485 -8.4485 -8.4435 -8.4435 -8.4368 -8.4368 4.0987 4.0987 5.8367 5.8367 6.4640 6.4640 6.6852 6.6852 7.5838 7.5838 7.6577 7.6577 7.9209 7.9209 10.7550 10.7550 10.9123 10.9123 12.5661 12.5661 13.7167 13.7167 14.4067 14.4067 14.4132 14.4132 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -37.6148 -37.6148 -16.5972 -16.5972 -16.0960 -16.0960 -16.0896 -16.0896 -9.4756 -9.4756 -9.4725 -9.4725 -8.4485 -8.4485 -8.4436 -8.4436 -8.4368 -8.4368 4.1005 4.1005 5.8374 5.8374 6.4722 6.4722 6.6790 6.6790 7.5875 7.5875 7.6580 7.6580 7.9117 7.9117 10.7541 10.7541 10.9111 10.9111 12.5656 12.5656 13.7163 13.7163 14.4059 14.4059 14.4107 14.4107 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -37.6148 -37.6148 -16.5972 -16.5972 -16.0960 -16.0960 -16.0896 -16.0896 -9.4756 -9.4756 -9.4725 -9.4725 -8.4485 -8.4485 -8.4436 -8.4436 -8.4368 -8.4368 4.1005 4.1005 5.8374 5.8374 6.4722 6.4722 6.6790 6.6790 7.5875 7.5875 7.6580 7.6580 7.9117 7.9117 10.7541 10.7541 10.9111 10.9111 12.5656 12.5656 13.7163 13.7163 14.4059 14.4059 14.4107 14.4107 k = 0.5000-0.2771 0.4164 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5973 -16.5971 -16.0960 -16.0959 -16.0897 -16.0896 -9.4757 -9.4756 -9.4725 -9.4723 -8.4485 -8.4484 -8.4437 -8.4435 -8.4369 -8.4367 4.0988 4.1025 5.8303 5.8456 6.4510 6.4924 6.6762 6.6835 7.5710 7.6031 7.6499 7.6650 7.9108 7.9143 10.7384 10.7624 10.9059 10.9090 12.5636 12.5754 13.7185 13.7187 14.4050 14.4055 14.4102 14.4113 k = 0.5000-0.2656 0.4246 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5973 -16.5970 -16.0961 -16.0958 -16.0897 -16.0895 -9.4757 -9.4755 -9.4727 -9.4722 -8.4485 -8.4484 -8.4437 -8.4434 -8.4370 -8.4367 4.0973 4.1047 5.8243 5.8549 6.4292 6.5111 6.6755 6.6893 7.5537 7.6174 7.6405 7.6711 7.9115 7.9184 10.7146 10.7639 10.8948 10.8989 12.5695 12.5928 13.7254 13.7255 14.4020 14.4046 14.4104 14.4112 k = 0.5000-0.2540 0.4327 ( 2762 PWs) bands (ev): -37.6148 -37.6147 -16.5974 -16.5969 -16.0962 -16.0957 -16.0898 -16.0895 -9.4757 -9.4754 -9.4727 -9.4721 -8.4484 -8.4483 -8.4438 -8.4432 -8.4370 -8.4366 4.0961 4.1071 5.8195 5.8651 6.4072 6.5277 6.6776 6.6960 7.5356 7.6298 7.6301 7.6768 7.9139 7.9242 10.6822 10.7589 10.8792 10.8812 12.5832 12.6176 13.7362 13.7364 14.3973 14.4031 14.4103 14.4110 k = 0.5000-0.2425 0.4409 ( 2754 PWs) bands (ev): -37.6148 -37.6147 -16.5975 -16.5968 -16.0962 -16.0955 -16.0899 -16.0895 -9.4757 -9.4752 -9.4728 -9.4719 -8.4483 -8.4482 -8.4439 -8.4431 -8.4371 -8.4366 4.0951 4.1098 5.8157 5.8764 6.3850 6.5414 6.6832 6.7034 7.5169 7.6178 7.6404 7.6826 7.9180 7.9315 10.6409 10.7471 10.8568 10.8607 12.6043 12.6491 13.7499 13.7510 14.3912 14.4009 14.4088 14.4117 k = 0.5000-0.2309 0.4491 ( 2750 PWs) bands (ev): -37.6148 -37.6147 -16.5976 -16.5967 -16.0963 -16.0954 -16.0900 -16.0895 -9.4757 -9.4751 -9.4729 -9.4718 -8.4482 -8.4480 -8.4439 -8.4430 -8.4372 -8.4365 4.0944 4.1127 5.8131 5.8886 6.3628 6.5520 6.6925 6.7114 7.4973 7.6047 7.6481 7.6887 7.9238 7.9407 10.5910 10.7275 10.8282 10.8405 12.6323 12.6869 13.7659 13.7682 14.3837 14.3975 14.4072 14.4124 k = 0.5000-0.2194 0.4572 ( 2750 PWs) bands (ev): -37.6148 -37.6147 -16.5976 -16.5967 -16.0963 -16.0953 -16.0901 -16.0895 -9.4757 -9.4750 -9.4730 -9.4717 -8.4481 -8.4479 -8.4440 -8.4428 -8.4373 -8.4365 4.0939 4.1157 5.8116 5.9017 6.3408 6.5594 6.7056 6.7199 7.4769 7.5908 7.6532 7.6950 7.9313 7.9518 10.5334 10.6983 10.7986 10.8195 12.6668 12.7302 13.7834 13.7872 14.3748 14.3924 14.4058 14.4130 k = 0.5000-0.2078 0.4654 ( 2748 PWs) bands (ev): -37.6148 -37.6147 -16.5977 -16.5966 -16.0963 -16.0951 -16.0902 -16.0896 -9.4756 -9.4749 -9.4731 -9.4716 -8.4480 -8.4478 -8.4440 -8.4427 -8.4374 -8.4365 4.0937 4.1189 5.8112 5.9155 6.3190 6.5644 6.7216 6.7286 7.4556 7.5763 7.6562 7.7009 7.9405 7.9648 10.4692 10.6583 10.7709 10.7981 12.7071 12.7785 13.8018 13.8070 14.3644 14.3856 14.4045 14.4135 k = 0.5000-0.1963 0.4736 ( 2750 PWs) bands (ev): -37.6148 -37.6147 -16.5978 -16.5966 -16.0964 -16.0950 -16.0904 -16.0896 -9.4756 -9.4747 -9.4732 -9.4715 -8.4479 -8.4476 -8.4441 -8.4425 -8.4375 -8.4365 4.0936 4.1222 5.8119 5.9300 6.2974 6.5676 6.7376 6.7399 7.4331 7.5616 7.6577 7.7060 7.9514 7.9801 10.3996 10.6085 10.7458 10.7768 12.7525 12.8310 13.8205 13.8271 14.3525 14.3771 14.4034 14.4139 k = 0.5000-0.1848 0.4817 ( 2754 PWs) bands (ev): -37.6148 -37.6147 -16.5979 -16.5965 -16.0964 -16.0949 -16.0905 -16.0897 -9.4756 -9.4746 -9.4733 -9.4714 -8.4477 -8.4474 -8.4441 -8.4424 -8.4377 -8.4365 4.0937 4.1256 5.8136 5.9451 6.2761 6.5700 6.7467 6.7594 7.4095 7.5471 7.6581 7.7096 7.9639 7.9974 10.3260 10.5513 10.7226 10.7558 12.8026 12.8871 13.8392 13.8469 14.3391 14.3670 14.4023 14.4143 k = 0.5000-0.1732 0.4899 ( 2746 PWs) bands (ev): -37.6148 -37.6147 -16.5980 -16.5964 -16.0964 -16.0947 -16.0907 -16.0898 -9.4756 -9.4744 -9.4734 -9.4713 -8.4476 -8.4472 -8.4442 -8.4422 -8.4378 -8.4365 4.0940 4.1290 5.8164 5.9606 6.2552 6.5719 6.7559 6.7797 7.3848 7.5328 7.6579 7.7116 7.9780 8.0167 10.2495 10.4892 10.7006 10.7352 12.8564 12.9461 13.8575 13.8660 14.3240 14.3552 14.4011 14.4145 k = 0.5000-0.1617 0.4981 ( 2746 PWs) bands (ev): -37.6148 -37.6147 -16.5981 -16.5964 -16.0964 -16.0946 -16.0908 -16.0899 -9.4755 -9.4742 -9.4734 -9.4713 -8.4474 -8.4471 -8.4442 -8.4421 -8.4379 -8.4365 4.0944 4.1325 5.8202 5.9764 6.2345 6.5740 6.7651 6.8000 7.3591 7.5191 7.6571 7.7121 7.9936 8.0380 10.1713 10.4238 10.6793 10.7153 12.9136 13.0075 13.8753 13.8841 14.3072 14.3417 14.3998 14.4147 k = 0.5000-0.1501 0.5062 ( 2746 PWs) bands (ev): -37.6148 -37.6147 -16.5982 -16.5964 -16.0964 -16.0944 -16.0910 -16.0900 -9.4755 -9.4741 -9.4735 -9.4712 -8.4473 -8.4469 -8.4442 -8.4419 -8.4380 -8.4365 4.0949 4.1359 5.8249 5.9924 6.2143 6.5765 6.7741 6.8201 7.3326 7.5061 7.6561 7.7111 8.0107 8.0608 10.0923 10.3567 10.6589 10.6963 12.9732 13.0706 13.8925 13.9012 14.2887 14.3265 14.3984 14.4146 k = 0.5000-0.1386 0.5144 ( 2736 PWs) bands (ev): -37.6148 -37.6147 -16.5982 -16.5963 -16.0963 -16.0942 -16.0911 -16.0901 -9.4754 -9.4739 -9.4735 -9.4711 -8.4471 -8.4467 -8.4441 -8.4417 -8.4381 -8.4366 4.0956 4.1393 5.8306 6.0083 6.1945 6.5797 6.7830 6.8393 7.3056 7.4938 7.6549 7.7088 8.0292 8.0851 10.0136 10.2891 10.6393 10.6783 13.0349 13.1349 13.9089 13.9173 14.2684 14.3095 14.3969 14.4144 k = 0.5000-0.1270 0.5226 ( 2736 PWs) bands (ev): -37.6148 -37.6147 -16.5983 -16.5963 -16.0963 -16.0941 -16.0913 -16.0902 -9.4754 -9.4737 -9.4735 -9.4710 -8.4470 -8.4465 -8.4441 -8.4415 -8.4383 -8.4366 4.0963 4.1426 5.8371 6.0240 6.1751 6.5837 6.7916 6.8574 7.2784 7.4823 7.6535 7.7055 8.0488 8.1103 9.9360 10.2220 10.6207 10.6613 13.0979 13.1997 13.9246 13.9322 14.2462 14.2907 14.3951 14.4140 k = 0.5000-0.1155 0.5307 ( 2744 PWs) bands (ev): -37.6148 -37.6147 -16.5984 -16.5962 -16.0963 -16.0940 -16.0915 -16.0903 -9.4754 -9.4736 -9.4736 -9.4710 -8.4469 -8.4464 -8.4440 -8.4413 -8.4384 -8.4367 4.0970 4.1458 5.8444 6.0392 6.1561 6.5887 6.7999 6.8740 7.2515 7.4716 7.6520 7.7015 8.0696 8.1361 9.8604 10.1563 10.6033 10.6456 13.1617 13.2646 13.9395 13.9460 14.2222 14.2700 14.3932 14.4135 k = 0.5000-0.1039 0.5389 ( 2742 PWs) bands (ev): -37.6148 -37.6147 -16.5984 -16.5962 -16.0963 -16.0938 -16.0916 -16.0905 -9.4754 -9.4736 -9.4734 -9.4710 -8.4467 -8.4463 -8.4439 -8.4411 -8.4386 -8.4368 4.0977 4.1488 5.8525 6.0537 6.1376 6.5947 6.8077 6.8886 7.2254 7.4617 7.6505 7.6969 8.0911 8.1620 9.7875 10.0930 10.5872 10.6312 13.2257 13.3290 13.9535 13.9587 14.1964 14.2474 14.3910 14.4127 k = 0.5000-0.0924 0.5471 ( 2742 PWs) bands (ev): -37.6148 -37.6147 -16.5985 -16.5962 -16.0963 -16.0936 -16.0918 -16.0906 -9.4753 -9.4736 -9.4733 -9.4709 -8.4466 -8.4462 -8.4438 -8.4409 -8.4387 -8.4369 4.0985 4.1515 5.8613 6.0674 6.1197 6.6018 6.8150 6.9007 7.2009 7.4527 7.6490 7.6921 8.1130 8.1877 9.7184 10.0330 10.5724 10.6181 13.2894 13.3924 13.9665 13.9700 14.1688 14.2230 14.3888 14.4118 k = 0.5000-0.0808 0.5552 ( 2746 PWs) bands (ev): -37.6148 -37.6147 -16.5986 -16.5962 -16.0962 -16.0935 -16.0919 -16.0908 -9.4753 -9.4736 -9.4732 -9.4709 -8.4465 -8.4461 -8.4436 -8.4407 -8.4389 -8.4370 4.0992 4.1541 5.8705 6.0800 6.1024 6.6098 6.8217 6.9100 7.1786 7.4447 7.6475 7.6874 8.1349 8.2126 9.6539 9.9771 10.5592 10.6065 13.3520 13.4541 13.9784 13.9799 14.1398 14.1968 14.3864 14.4108 k = 0.5000-0.0693 0.5634 ( 2738 PWs) bands (ev): -37.6148 -37.6147 -16.5986 -16.5961 -16.0962 -16.0933 -16.0920 -16.0909 -9.4753 -9.4736 -9.4730 -9.4709 -8.4464 -8.4460 -8.4435 -8.4405 -8.4390 -8.4371 4.0999 4.1564 5.8803 6.0858 6.0914 6.6186 6.8277 6.9159 7.1593 7.4375 7.6461 7.6829 8.1563 8.2360 9.5948 9.9263 10.5476 10.5963 13.4130 13.5137 13.9879 13.9892 14.1098 14.1692 14.3840 14.4097 k = 0.5000-0.0577 0.5715 ( 2742 PWs) bands (ev): -37.6148 -37.6147 -16.5986 -16.5961 -16.0962 -16.0932 -16.0922 -16.0910 -9.4753 -9.4736 -9.4729 -9.4709 -8.4463 -8.4460 -8.4433 -8.4403 -8.4391 -8.4372 4.1005 4.1583 5.8902 6.0701 6.1012 6.6279 6.8330 6.9185 7.1434 7.4313 7.6447 7.6788 8.1765 8.2575 9.5422 9.8812 10.5377 10.5877 13.4715 13.5703 13.9929 13.9986 14.0802 14.1403 14.3817 14.4085 k = 0.5000-0.0462 0.5797 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0930 -16.0923 -16.0912 -9.4753 -9.4736 -9.4728 -9.4709 -8.4463 -8.4460 -8.4432 -8.4402 -8.4393 -8.4373 4.1010 4.1600 5.9001 6.0555 6.1095 6.6371 6.8374 6.9179 7.1314 7.4261 7.6435 7.6753 8.1946 8.2762 9.4972 9.8429 10.5295 10.5806 13.5265 13.6228 13.9923 14.0065 14.0545 14.1111 14.3795 14.4074 k = 0.5000-0.0346 0.5879 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0929 -16.0924 -16.0913 -9.4753 -9.4735 -9.4727 -9.4709 -8.4462 -8.4460 -8.4431 -8.4400 -8.4393 -8.4374 4.1014 4.1613 5.9094 6.0426 6.1161 6.6456 6.8409 6.9151 7.1230 7.4221 7.6424 7.6725 8.2099 8.2916 9.4608 9.8121 10.5231 10.5751 13.5762 13.6697 13.9808 14.0127 14.0389 14.0827 14.3777 14.4064 k = 0.5000-0.0231 0.5960 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0928 -16.0924 -16.0914 -9.4753 -9.4735 -9.4726 -9.4709 -8.4462 -8.4459 -8.4430 -8.4399 -8.4394 -8.4375 4.1017 4.1622 5.9174 6.0320 6.1208 6.6527 6.8434 6.9114 7.1177 7.4191 7.6416 7.6705 8.2216 8.3031 9.4339 9.7895 10.5185 10.5711 13.6179 13.7084 13.9606 14.0168 14.0339 14.0578 14.3763 14.4057 k = 0.5000-0.0115 0.6042 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0924 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4394 -8.4375 4.1019 4.1628 5.9231 6.0248 6.1237 6.6573 6.8450 6.9084 7.1149 7.4173 7.6411 7.6693 8.2289 8.3103 9.4174 9.7757 10.5157 10.5687 13.6470 13.7351 13.9422 14.0183 14.0331 14.0407 14.3754 14.4052 k = 0.5000-0.0000 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0925 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4395 -8.4375 4.1019 4.1630 5.9252 6.0222 6.1246 6.6590 6.8455 6.9073 7.1140 7.4167 7.6409 7.6689 8.2315 8.3127 9.4118 9.7711 10.5148 10.5679 13.6578 13.7447 13.9348 14.0178 14.0331 14.0351 14.3751 14.4050 k = 0.5000-0.0000 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0925 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4395 -8.4375 4.1019 4.1630 5.9252 6.0222 6.1246 6.6590 6.8455 6.9073 7.1140 7.4167 7.6409 7.6689 8.2315 8.3127 9.4118 9.7711 10.5148 10.5679 13.6578 13.7447 13.9348 14.0178 14.0331 14.0351 14.3751 14.4050 k = 0.4931 0.0120 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0924 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4394 -8.4375 4.1016 4.1626 5.9241 6.0231 6.1243 6.6575 6.8445 6.9082 7.1147 7.4171 7.6406 7.6688 8.2296 8.3125 9.4150 9.7728 10.5168 10.5705 13.6522 13.7402 13.9380 14.0139 14.0380 14.0398 14.3759 14.4057 k = 0.4861 0.0241 0.6124 ( 2737 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0928 -16.0923 -16.0914 -9.4753 -9.4735 -9.4726 -9.4708 -8.4461 -8.4459 -8.4430 -8.4398 -8.4394 -8.4375 4.1008 4.1614 5.9209 6.0258 6.1234 6.6535 6.8408 6.9114 7.1167 7.4182 7.6391 7.6688 8.2244 8.3114 9.4240 9.7773 10.5231 10.5786 13.6357 13.7269 13.9475 14.0089 14.0478 14.0525 14.3779 14.4076 k = 0.4792 0.0361 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0929 -16.0923 -16.0914 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4430 -8.4399 -8.4394 -8.4375 4.0996 4.1597 5.9159 6.0301 6.1222 6.6479 6.8343 6.9170 7.1197 7.4198 7.6356 7.6697 8.2164 8.3090 9.4380 9.7839 10.5339 10.5923 13.6096 13.7059 13.9621 14.0078 14.0590 14.0711 14.3808 14.4105 k = 0.4722 0.0481 0.6124 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0930 -16.0923 -16.0913 -9.4753 -9.4736 -9.4726 -9.4709 -8.4461 -8.4459 -8.4431 -8.4400 -8.4394 -8.4374 4.0980 4.1574 5.9097 6.0355 6.1208 6.6412 6.8254 6.9245 7.1238 7.4215 7.6299 7.6717 8.2063 8.3050 9.4556 9.7915 10.5496 10.6119 13.5762 13.6784 13.9802 14.0116 14.0731 14.0924 14.3843 14.4140 k = 0.4653 0.0601 0.6124 ( 2749 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0962 -16.0932 -16.0922 -16.0912 -9.4753 -9.4736 -9.4726 -9.4709 -8.4461 -8.4459 -8.4432 -8.4401 -8.4393 -8.4373 4.0961 4.1547 5.9026 6.0416 6.1192 6.6341 6.8149 6.9331 7.1289 7.4232 7.6219 7.6746 8.1948 8.2994 9.4756 9.7996 10.5701 10.6369 13.5377 13.6461 14.0004 14.0200 14.0897 14.1152 14.3882 14.4180 k = 0.4583 0.0722 0.6124 ( 2749 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0962 -16.0933 -16.0922 -16.0911 -9.4752 -9.4737 -9.4726 -9.4709 -8.4461 -8.4458 -8.4433 -8.4403 -8.4393 -8.4373 4.0942 4.1518 5.8951 6.0481 6.1177 6.6270 6.8035 6.9420 7.1350 7.4245 7.6120 7.6782 8.1824 8.2925 9.4968 9.8073 10.5957 10.6672 13.4959 13.6103 14.0217 14.0324 14.1086 14.1388 14.3924 14.4224 k = 0.4514 0.0842 0.6124 ( 2753 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0962 -16.0934 -16.0921 -16.0910 -9.4752 -9.4737 -9.4726 -9.4709 -8.4461 -8.4458 -8.4434 -8.4404 -8.4393 -8.4372 4.0921 4.1487 5.8874 6.0547 6.1163 6.6202 6.7918 6.9504 7.1423 7.4252 7.6006 7.6823 8.1697 8.2846 9.5181 9.8143 10.6259 10.7018 13.4522 13.5722 14.0435 14.0481 14.1291 14.1627 14.3968 14.4271 k = 0.4444 0.0962 0.6124 ( 2751 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0963 -16.0934 -16.0920 -16.0908 -9.4752 -9.4738 -9.4726 -9.4710 -8.4461 -8.4458 -8.4435 -8.4405 -8.4392 -8.4371 4.0900 4.1455 5.8799 6.0611 6.1152 6.6138 6.7802 6.9580 7.1510 7.4251 7.5881 7.6866 8.1570 8.2761 9.5386 9.8203 10.6604 10.7398 13.4078 13.5330 14.0655 14.0665 14.1505 14.1864 14.4014 14.4323 k = 0.4375 0.1083 0.6124 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0935 -16.0920 -16.0907 -9.4751 -9.4738 -9.4726 -9.4710 -8.4461 -8.4457 -8.4436 -8.4406 -8.4391 -8.4370 4.0879 4.1423 5.8726 6.0670 6.1145 6.6081 6.7691 6.9644 7.1612 7.4238 7.5750 7.6910 8.1448 8.2673 9.5575 9.8252 10.6982 10.7801 13.3635 13.4936 14.0867 14.0876 14.1723 14.2096 14.4065 14.4381 k = 0.4306 0.1203 0.6124 ( 2745 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0936 -16.0919 -16.0906 -9.4751 -9.4739 -9.4726 -9.4710 -8.4460 -8.4457 -8.4437 -8.4408 -8.4391 -8.4369 4.0859 4.1392 5.8658 6.0723 6.1142 6.6031 6.7587 6.9693 7.1732 7.4209 7.5618 7.6954 8.1333 8.2586 9.5745 9.8290 10.7383 10.8212 13.3203 13.4549 14.1079 14.1094 14.1936 14.2319 14.4122 14.4447 k = 0.4236 0.1323 0.6124 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0937 -16.0919 -16.0905 -9.4750 -9.4739 -9.4725 -9.4710 -8.4460 -8.4456 -8.4438 -8.4409 -8.4390 -8.4368 4.0841 4.1362 5.8595 6.0766 6.1146 6.5988 6.7491 6.9728 7.1868 7.4160 7.5493 7.6996 8.1228 8.2502 9.5893 9.8318 10.7795 10.8619 13.2791 13.4177 14.1286 14.1312 14.2136 14.2527 14.4189 14.4527 k = 0.4167 0.1443 0.6124 ( 2745 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0964 -16.0937 -16.0918 -16.0904 -9.4750 -9.4740 -9.4725 -9.4710 -8.4460 -8.4456 -8.4439 -8.4410 -8.4390 -8.4367 4.0824 4.1335 5.8539 6.0799 6.1155 6.5952 6.7407 6.9751 7.2020 7.4086 7.5381 7.7035 8.1133 8.2425 9.6019 9.8339 10.8203 10.9006 13.2408 13.3831 14.1478 14.1528 14.2316 14.2714 14.4269 14.4626 k = 0.4097 0.1564 0.6124 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0918 -16.0904 -9.4749 -9.4741 -9.4725 -9.4710 -8.4459 -8.4456 -8.4440 -8.4411 -8.4390 -8.4366 4.0809 4.1311 5.8491 6.0823 6.1169 6.5923 6.7333 6.9763 7.2187 7.3984 7.5288 7.7071 8.1051 8.2357 9.6122 9.8352 10.8590 10.9359 13.2062 13.3517 14.1654 14.1731 14.2467 14.2875 14.4363 14.4745 k = 0.4028 0.1684 0.6124 ( 2739 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0917 -16.0903 -9.4748 -9.4742 -9.4725 -9.4710 -8.4459 -8.4456 -8.4441 -8.4412 -8.4389 -8.4366 4.0797 4.1291 5.8450 6.0838 6.1185 6.5901 6.7272 6.9769 7.2365 7.3854 7.5215 7.7101 8.0983 8.2299 9.6205 9.8361 10.8939 10.9664 13.1763 13.3246 14.1808 14.1912 14.2585 14.3003 14.4473 14.4883 k = 0.3958 0.1804 0.6124 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0917 -16.0902 -9.4748 -9.4742 -9.4725 -9.4711 -8.4458 -8.4456 -8.4441 -8.4413 -8.4389 -8.4365 4.0787 4.1275 5.8418 6.0848 6.1201 6.5884 6.7224 6.9769 7.2553 7.3700 7.5162 7.7126 8.0929 8.2252 9.6267 9.8366 10.9235 10.9912 13.1520 13.3024 14.1937 14.2063 14.2669 14.3098 14.4592 14.5028 k = 0.3889 0.1925 0.6124 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4747 -9.4743 -9.4725 -9.4711 -8.4458 -8.4456 -8.4442 -8.4414 -8.4389 -8.4365 4.0780 4.1263 5.8395 6.0853 6.1214 6.5873 6.7189 6.9768 7.2748 7.3527 7.5127 7.7144 8.0890 8.2219 9.6311 9.8369 10.9461 11.0093 13.1339 13.2860 14.2035 14.2176 14.2722 14.3161 14.4707 14.5163 k = 0.3819 0.2045 0.6124 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0965 -16.0939 -16.0917 -16.0902 -9.4747 -9.4744 -9.4725 -9.4711 -8.4458 -8.4456 -8.4442 -8.4414 -8.4389 -8.4365 4.0776 4.1255 5.8381 6.0856 6.1222 6.5866 6.7168 6.9766 7.2946 7.3340 7.5108 7.7155 8.0867 8.2198 9.6337 9.8371 10.9603 11.0203 13.1228 13.2758 14.2097 14.2246 14.2750 14.3195 14.4794 14.5263 k = 0.3750 0.2165 0.6124 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.3750 0.2165 0.6124 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.3678 0.2123 0.6006 ( 2748 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0903 -9.4745 -9.4744 -9.4723 -9.4711 -8.4455 -8.4454 -8.4442 -8.4413 -8.4391 -8.4366 4.0721 4.1205 5.8429 6.0813 6.1221 6.5767 6.7247 6.9861 7.2855 7.2990 7.5065 7.7139 8.0993 8.2491 9.5941 9.7902 10.9839 11.0445 13.1716 13.3282 14.2125 14.2346 14.2649 14.3128 14.5295 14.5825 k = 0.3606 0.2082 0.5888 ( 2750 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0964 -16.0939 -16.0917 -16.0903 -9.4744 -9.4744 -9.4721 -9.4711 -8.4453 -8.4453 -8.4442 -8.4412 -8.4392 -8.4366 4.0654 4.1140 5.8482 6.0689 6.1275 6.5638 6.7352 6.9924 7.2574 7.2820 7.5079 7.7118 8.1128 8.2792 9.5626 9.7506 11.0040 11.0663 13.2260 13.3854 14.2072 14.2335 14.2553 14.3048 14.5561 14.6039 k = 0.3534 0.2040 0.5770 ( 2752 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0964 -16.0939 -16.0917 -16.0903 -9.4745 -9.4743 -9.4719 -9.4712 -8.4451 -8.4451 -8.4441 -8.4411 -8.4394 -8.4366 4.0572 4.1057 5.8537 6.0541 6.1326 6.5472 6.7479 6.9954 7.2297 7.2649 7.5138 7.7097 8.1271 8.3092 9.5399 9.7188 11.0255 11.0895 13.2825 13.4438 14.1981 14.2264 14.2467 14.2968 14.5640 14.6052 k = 0.3462 0.1999 0.5653 ( 2742 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0964 -16.0940 -16.0916 -16.0903 -9.4745 -9.4741 -9.4717 -9.4712 -8.4449 -8.4448 -8.4441 -8.4410 -8.4395 -8.4366 4.0474 4.0954 5.8592 6.0387 6.1350 6.5268 6.7630 6.9956 7.2028 7.2485 7.5231 7.7077 8.1429 8.3390 9.5261 9.6951 11.0483 11.1139 13.3410 13.5035 14.1862 14.2162 14.2377 14.2890 14.5676 14.6065 k = 0.3389 0.1957 0.5535 ( 2738 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0963 -16.0940 -16.0914 -16.0903 -9.4744 -9.4740 -9.4716 -9.4712 -8.4448 -8.4446 -8.4440 -8.4409 -8.4396 -8.4366 4.0356 4.0827 5.8647 6.0233 6.1342 6.5026 6.7805 6.9932 7.1772 7.2336 7.5347 7.7058 8.1608 8.3688 9.5208 9.6794 11.0724 11.1397 13.4013 13.5641 14.1724 14.2051 14.2272 14.2816 14.5713 14.6091 k = 0.3317 0.1915 0.5417 ( 2736 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0963 -16.0941 -16.0913 -16.0903 -9.4744 -9.4739 -9.4714 -9.4713 -8.4447 -8.4444 -8.4440 -8.4408 -8.4397 -8.4366 4.0217 4.0677 5.8701 6.0080 6.1298 6.4746 6.8005 6.9888 7.1531 7.2208 7.5470 7.7041 8.1819 8.3986 9.5237 9.6719 11.0979 11.1667 13.4634 13.6252 14.1568 14.1940 14.2151 14.2748 14.5763 14.6133 k = 0.3245 0.1874 0.5299 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0963 -16.0942 -16.0912 -16.0903 -9.4745 -9.4738 -9.4714 -9.4713 -8.4446 -8.4443 -8.4440 -8.4408 -8.4399 -8.4367 4.0055 4.0500 5.8753 5.9928 6.1221 6.4434 6.8227 6.9829 7.1308 7.2106 7.5589 7.7024 8.2070 8.4285 9.5342 9.6724 11.1247 11.1949 13.5271 13.6864 14.1400 14.1833 14.2014 14.2693 14.5833 14.6193 k = 0.3173 0.1832 0.5182 ( 2748 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5961 -16.0962 -16.0943 -16.0910 -16.0903 -9.4745 -9.4737 -9.4714 -9.4711 -8.4445 -8.4442 -8.4439 -8.4408 -8.4400 -8.4367 3.9869 4.0295 5.8803 5.9777 6.1113 6.4094 6.8467 6.9757 7.1106 7.2031 7.5693 7.7009 8.2370 8.4588 9.5518 9.6808 11.1529 11.2243 13.5919 13.7468 14.1219 14.1734 14.1864 14.2657 14.5924 14.6271 k = 0.3101 0.1790 0.5064 ( 2746 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5961 -16.0962 -16.0943 -16.0909 -16.0902 -9.4745 -9.4736 -9.4715 -9.4710 -8.4445 -8.4440 -8.4439 -8.4408 -8.4400 -8.4367 3.9656 4.0062 5.8851 5.9627 6.0980 6.3735 6.8721 6.9678 7.0928 7.1983 7.5774 7.6995 8.2723 8.4900 9.5760 9.6967 11.1823 11.2550 13.6574 13.8052 14.1027 14.1644 14.1708 14.2652 14.6038 14.6368 k = 0.3029 0.1749 0.4946 ( 2738 PWs) bands (ev): -37.6150 -37.6148 -16.5984 -16.5961 -16.0961 -16.0944 -16.0907 -16.0901 -9.4744 -9.4735 -9.4716 -9.4709 -8.4445 -8.4440 -8.4438 -8.4408 -8.4400 -8.4367 3.9415 3.9798 5.8895 5.9479 6.0827 6.3364 6.8980 6.9594 7.0777 7.1959 7.5828 7.6981 8.3136 8.5225 9.6063 9.7197 11.2131 11.2869 13.7227 13.8596 14.0826 14.1509 14.1607 14.2694 14.6178 14.6486 k = 0.2957 0.1707 0.4828 ( 2740 PWs) bands (ev): -37.6150 -37.6148 -16.5984 -16.5960 -16.0960 -16.0944 -16.0905 -16.0901 -9.4744 -9.4735 -9.4717 -9.4708 -8.4445 -8.4440 -8.4437 -8.4409 -8.4400 -8.4368 3.9146 3.9504 5.8935 5.9330 6.0661 6.2989 6.9234 6.9507 7.0661 7.1958 7.5852 7.6968 8.3608 8.5567 9.6422 9.7495 11.2451 11.3199 13.7865 13.9079 14.0615 14.1327 14.1577 14.2803 14.6343 14.6624 k = 0.2885 0.1665 0.4711 ( 2740 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5960 -16.0959 -16.0944 -16.0903 -16.0900 -9.4744 -9.4734 -9.4718 -9.4707 -8.4445 -8.4440 -8.4436 -8.4411 -8.4400 -8.4368 3.8846 3.9179 5.8970 5.9183 6.0488 6.2617 6.9420 6.9462 7.0592 7.1975 7.5847 7.6954 8.4139 8.5932 9.6832 9.7856 11.2784 11.3541 13.8464 13.9473 14.0398 14.1130 14.1604 14.2999 14.6534 14.6782 k = 0.2812 0.1624 0.4593 ( 2736 PWs) bands (ev): -37.6150 -37.6148 -16.5982 -16.5960 -16.0958 -16.0944 -16.0901 -16.0899 -9.4744 -9.4734 -9.4719 -9.4706 -8.4445 -8.4440 -8.4436 -8.4412 -8.4399 -8.4368 3.8517 3.8822 5.9000 5.9037 6.0313 6.2257 6.9335 6.9636 7.0596 7.2008 7.5815 7.6938 8.4727 8.6325 9.7288 9.8275 11.3128 11.3893 13.8991 13.9756 14.0179 14.0924 14.1716 14.3294 14.6751 14.6960 k = 0.2740 0.1582 0.4475 ( 2736 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5959 -16.0957 -16.0944 -16.0900 -16.0898 -9.4744 -9.4734 -9.4720 -9.4706 -8.4446 -8.4440 -8.4435 -8.4413 -8.4399 -8.4369 3.8158 3.8436 5.8892 5.9024 6.0141 6.1913 6.9253 6.9727 7.0694 7.2054 7.5759 7.6921 8.5370 8.6751 9.7788 9.8748 11.3484 11.4255 13.9404 13.9861 14.0028 14.0709 14.1948 14.3677 14.6993 14.7158 k = 0.2668 0.1541 0.4357 ( 2732 PWs) bands (ev): -37.6150 -37.6149 -16.5980 -16.5959 -16.0955 -16.0944 -16.0898 -16.0897 -9.4743 -9.4733 -9.4721 -9.4705 -8.4446 -8.4440 -8.4434 -8.4415 -8.4399 -8.4369 3.7770 3.8021 5.8750 5.9041 5.9976 6.1591 6.9175 6.9745 7.0872 7.2110 7.5682 7.6902 8.6064 8.7215 9.8328 9.9270 11.3851 11.4627 13.9667 13.9677 14.0083 14.0487 14.2317 14.4121 14.7260 14.7375 k = 0.2596 0.1499 0.4240 ( 2736 PWs) bands (ev): -37.6151 -37.6149 -16.5979 -16.5959 -16.0954 -16.0943 -16.0896 -16.0896 -9.4743 -9.4734 -9.4722 -9.4705 -8.4447 -8.4441 -8.4434 -8.4416 -8.4399 -8.4370 3.7353 3.7578 5.8611 5.9049 5.9820 6.1295 6.9102 6.9722 7.1094 7.2175 7.5589 7.6879 8.6805 8.7719 9.8904 9.9839 11.4229 11.5007 13.9426 13.9827 14.0118 14.0262 14.2794 14.4590 14.7546 14.7609 k = 0.2524 0.1457 0.4122 ( 2742 PWs) bands (ev): -37.6151 -37.6149 -16.5978 -16.5958 -16.0952 -16.0943 -16.0894 -16.0894 -9.4743 -9.4734 -9.4723 -9.4705 -8.4448 -8.4442 -8.4434 -8.4418 -8.4400 -8.4370 3.6910 3.7109 5.8479 5.9050 5.9675 6.1027 6.9034 6.9681 7.1332 7.2245 7.5483 7.6853 8.7590 8.8268 9.9515 10.0449 11.4617 11.5397 13.9175 13.9879 14.0047 14.0113 14.3327 14.5048 14.7845 14.7859 k = 0.2452 0.1416 0.4004 ( 2742 PWs) bands (ev): -37.6151 -37.6150 -16.5976 -16.5958 -16.0951 -16.0942 -16.0893 -16.0893 -9.4743 -9.4735 -9.4724 -9.4705 -8.4449 -8.4443 -8.4433 -8.4419 -8.4401 -8.4371 3.6442 3.6618 5.8353 5.9041 5.9540 6.0791 6.8973 6.9635 7.1571 7.2319 7.5365 7.6823 8.8418 8.8864 10.0159 10.1098 11.5014 11.5794 13.8920 13.9753 13.9959 14.0082 14.3865 14.5466 14.8121 14.8148 k = 0.2380 0.1374 0.3886 ( 2742 PWs) bands (ev): -37.6151 -37.6150 -16.5975 -16.5957 -16.0949 -16.0940 -16.0892 -16.0891 -9.4743 -9.4735 -9.4725 -9.4706 -8.4450 -8.4444 -8.4433 -8.4421 -8.4401 -8.4372 3.5952 3.6106 5.8235 5.9023 5.9416 6.0585 6.8919 6.9589 7.1803 7.2395 7.5241 7.6789 8.9285 8.9509 10.0833 10.1783 11.5420 11.6198 13.8662 13.9524 13.9945 14.0032 14.4367 14.5818 14.8392 14.8444 k = 0.2308 0.1332 0.3768 ( 2746 PWs) bands (ev): -37.6151 -37.6150 -16.5973 -16.5957 -16.0946 -16.0939 -16.0891 -16.0889 -9.4743 -9.4737 -9.4726 -9.4706 -8.4452 -8.4445 -8.4433 -8.4422 -8.4402 -8.4373 3.5443 3.5576 5.8127 5.8995 5.9303 6.0410 6.8871 6.9544 7.2025 7.2473 7.5110 7.6749 9.0188 9.0203 10.1534 10.2501 11.5833 11.6608 13.8402 13.9284 13.9927 13.9970 14.4797 14.6079 14.8671 14.8729 k = 0.2236 0.1291 0.3651 ( 2744 PWs) bands (ev): -37.6152 -37.6151 -16.5971 -16.5956 -16.0944 -16.0937 -16.0889 -16.0888 -9.4743 -9.4738 -9.4727 -9.4707 -8.4453 -8.4446 -8.4433 -8.4424 -8.4403 -8.4375 3.4917 3.5031 5.8030 5.8960 5.9199 6.0264 6.8831 6.9502 7.2234 7.2551 7.4976 7.6706 9.0946 9.1127 10.2263 10.3249 11.6253 11.7024 13.8144 13.9043 13.9899 13.9902 14.5127 14.6233 14.8955 14.9004 k = 0.2163 0.1249 0.3533 ( 2736 PWs) bands (ev): -37.6152 -37.6151 -16.5970 -16.5955 -16.0941 -16.0935 -16.0888 -16.0886 -9.4743 -9.4738 -9.4728 -9.4708 -8.4454 -8.4447 -8.4433 -8.4425 -8.4404 -8.4376 3.4377 3.4475 5.7944 5.8919 5.9105 6.0143 6.8798 6.9463 7.2430 7.2628 7.4841 7.6657 9.1739 9.2098 10.3016 10.4025 11.6679 11.7443 13.7887 13.8804 13.9821 13.9874 14.5337 14.6269 14.9246 14.9282 k = 0.2091 0.1207 0.3415 ( 2738 PWs) bands (ev): -37.6152 -37.6151 -16.5968 -16.5954 -16.0939 -16.0933 -16.0886 -16.0884 -9.4743 -9.4739 -9.4729 -9.4709 -8.4456 -8.4449 -8.4433 -8.4427 -8.4406 -8.4377 3.3827 3.3911 5.7869 5.8875 5.9018 6.0045 6.8772 6.9426 7.2611 7.2703 7.4706 7.6603 9.2581 9.3101 10.3792 10.4826 11.7110 11.7865 13.7635 13.8570 13.9737 13.9845 14.5418 14.6191 14.9544 14.9571 k = 0.2019 0.1166 0.3297 ( 2742 PWs) bands (ev): -37.6152 -37.6152 -16.5966 -16.5953 -16.0936 -16.0931 -16.0885 -16.0883 -9.4743 -9.4741 -9.4730 -9.4710 -8.4457 -8.4450 -8.4433 -8.4428 -8.4408 -8.4379 3.3270 3.3341 5.7805 5.8830 5.8940 5.9963 6.8753 6.9393 7.2775 7.2778 7.4573 7.6545 9.3468 9.4133 10.4589 10.5650 11.7545 11.8289 13.7389 13.8341 13.9647 13.9815 14.5376 14.6016 14.9850 14.9875 k = 0.1947 0.1124 0.3180 ( 2742 PWs) bands (ev): -37.6153 -37.6152 -16.5964 -16.5952 -16.0933 -16.0928 -16.0884 -16.0882 -9.4743 -9.4742 -9.4731 -9.4711 -8.4458 -8.4452 -8.4434 -8.4430 -8.4410 -8.4381 3.2709 3.2768 5.7753 5.8788 5.8869 5.9894 6.8741 6.9363 7.2845 7.2932 7.4444 7.6482 9.4401 9.5193 10.5406 10.6495 11.7981 11.8713 13.7153 13.8122 13.9552 13.9785 14.5231 14.5767 15.0160 15.0191 k = 0.1875 0.1083 0.3062 ( 2748 PWs) bands (ev): -37.6153 -37.6152 -16.5962 -16.5951 -16.0930 -16.0926 -16.0882 -16.0880 -9.4743 -9.4743 -9.4733 -9.4712 -8.4460 -8.4454 -8.4434 -8.4431 -8.4412 -8.4384 3.2146 3.2196 5.7711 5.8749 5.8804 5.9835 6.8736 6.9336 7.2911 7.3072 7.4318 7.6414 9.5377 9.6280 10.6241 10.7357 11.8418 11.9136 13.6927 13.7914 13.9451 13.9754 14.5005 14.5468 15.0471 15.0513 k = 0.1803 0.1041 0.2944 ( 2740 PWs) bands (ev): -37.6153 -37.6153 -16.5960 -16.5950 -16.0926 -16.0923 -16.0881 -16.0879 -9.4745 -9.4743 -9.4733 -9.4714 -8.4461 -8.4455 -8.4434 -8.4433 -8.4413 -8.4385 3.1585 3.1626 5.7679 5.8715 5.8746 5.9782 6.8738 6.9312 7.2973 7.3200 7.4199 7.6342 9.6394 9.7391 10.7091 10.8236 11.8854 11.9555 13.6716 13.7720 13.9343 13.9722 14.4723 14.5139 15.0776 15.0834 k = 0.1731 0.0999 0.2826 ( 2746 PWs) bands (ev): -37.6154 -37.6153 -16.5958 -16.5949 -16.0923 -16.0920 -16.0880 -16.0878 -9.4746 -9.4744 -9.4735 -9.4715 -8.4463 -8.4457 -8.4435 -8.4434 -8.4416 -8.4388 3.1029 3.1062 5.7656 5.8686 5.8693 5.9733 6.8745 6.9290 7.3030 7.3317 7.4086 7.6266 9.7450 9.8525 10.7955 10.9128 11.9287 11.9969 13.6522 13.7544 13.9227 13.9688 14.4404 14.4799 15.1069 15.1147 k = 0.1659 0.0958 0.2709 ( 2754 PWs) bands (ev): -37.6154 -37.6153 -16.5956 -16.5948 -16.0920 -16.0917 -16.0878 -16.0876 -9.4747 -9.4744 -9.4736 -9.4717 -8.4464 -8.4459 -8.4436 -8.4435 -8.4418 -8.4391 3.0478 3.0506 5.7642 5.8645 5.8663 5.9687 6.8758 6.9271 7.3082 7.3422 7.3981 7.6186 9.8541 9.9680 10.8830 11.0030 11.9714 12.0377 13.6347 13.7387 13.9103 13.9652 14.4067 14.4459 15.1345 15.1444 k = 0.1587 0.0916 0.2591 ( 2746 PWs) bands (ev): -37.6154 -37.6154 -16.5954 -16.5947 -16.0916 -16.0914 -16.0877 -16.0875 -9.4748 -9.4744 -9.4737 -9.4719 -8.4465 -8.4460 -8.4437 -8.4436 -8.4420 -8.4393 2.9938 2.9960 5.7637 5.8603 5.8646 5.9642 6.8776 6.9255 7.3130 7.3516 7.3886 7.6103 9.9666 10.0855 10.9714 11.0940 12.0135 12.0775 13.6196 13.7253 13.8972 13.9614 14.3726 14.4131 15.1597 15.1720 k = 0.1514 0.0874 0.2473 ( 2740 PWs) bands (ev): -37.6154 -37.6154 -16.5952 -16.5946 -16.0912 -16.0910 -16.0875 -16.0874 -9.4749 -9.4744 -9.4738 -9.4720 -8.4466 -8.4462 -8.4438 -8.4436 -8.4422 -8.4396 2.9408 2.9426 5.7638 5.8566 5.8633 5.9598 6.8799 6.9242 7.3171 7.3601 7.3802 7.6017 10.0821 10.2046 11.0605 11.1854 12.0547 12.1163 13.6072 13.7146 13.8832 13.9571 14.3393 14.3823 15.1822 15.1969 k = 0.1442 0.0833 0.2355 ( 2744 PWs) bands (ev): -37.6155 -37.6154 -16.5950 -16.5944 -16.0909 -16.0907 -16.0874 -16.0873 -9.4750 -9.4745 -9.4740 -9.4722 -8.4468 -8.4463 -8.4439 -8.4436 -8.4425 -8.4399 2.8892 2.8906 5.7646 5.8533 5.8624 5.9553 6.8825 6.9231 7.3206 7.3677 7.3730 7.5927 10.2002 10.3251 11.1499 11.2767 12.0947 12.1537 13.5978 13.7067 13.8687 13.9524 14.3076 14.3539 15.2014 15.2184 k = 0.1370 0.0791 0.2238 ( 2746 PWs) bands (ev): -37.6155 -37.6155 -16.5948 -16.5943 -16.0905 -16.0904 -16.0873 -16.0872 -9.4751 -9.4745 -9.4741 -9.4724 -8.4469 -8.4465 -8.4441 -8.4437 -8.4428 -8.4402 2.8391 2.8402 5.7661 5.8504 5.8619 5.9507 6.8855 6.9223 7.3233 7.3671 7.3744 7.5834 10.3207 10.4467 11.2392 11.3677 12.1334 12.1897 13.5917 13.7021 13.8540 13.9473 14.2783 14.3283 15.2170 15.2362 k = 0.1298 0.0749 0.2120 ( 2746 PWs) bands (ev): -37.6155 -37.6155 -16.5946 -16.5942 -16.0902 -16.0900 -16.0872 -16.0871 -9.4752 -9.4745 -9.4742 -9.4726 -8.4470 -8.4466 -8.4442 -8.4438 -8.4430 -8.4405 2.7907 2.7916 5.7680 5.8479 5.8616 5.9461 6.8888 6.9217 7.3251 7.3628 7.3803 7.5739 10.4432 10.5690 11.3283 11.4578 12.1705 12.2240 13.5892 13.7009 13.8395 13.9421 14.2518 14.3057 15.2288 15.2496 k = 0.1226 0.0708 0.2002 ( 2747 PWs) bands (ev): -37.6156 -37.6155 -16.5944 -16.5941 -16.0898 -16.0897 -16.0871 -16.0870 -9.4753 -9.4746 -9.4743 -9.4728 -8.4471 -8.4468 -8.4443 -8.4438 -8.4432 -8.4408 2.7441 2.7449 5.7705 5.8458 5.8614 5.9414 6.8922 6.9214 7.3261 7.3601 7.3854 7.5642 10.5671 10.6916 11.4167 11.5466 12.2060 12.2565 13.5907 13.7033 13.8258 13.9370 14.2285 14.2859 15.2364 15.2585 k = 0.1154 0.0666 0.1884 ( 2747 PWs) bands (ev): -37.6156 -37.6156 -16.5943 -16.5940 -16.0895 -16.0894 -16.0870 -16.0869 -9.4754 -9.4746 -9.4745 -9.4730 -8.4472 -8.4469 -8.4444 -8.4439 -8.4435 -8.4411 2.6996 2.7001 5.7734 5.8440 5.8614 5.9365 6.8958 6.9214 7.3263 7.3590 7.3898 7.5542 10.6919 10.8140 11.5041 11.6335 12.2398 12.2871 13.5964 13.7096 13.8135 13.9324 14.2084 14.2690 15.2398 15.2626 k = 0.1082 0.0625 0.1766 ( 2747 PWs) bands (ev): -37.6156 -37.6156 -16.5941 -16.5938 -16.0891 -16.0891 -16.0869 -16.0868 -9.4754 -9.4747 -9.4746 -9.4732 -8.4473 -8.4470 -8.4445 -8.4440 -8.4437 -8.4415 2.6572 2.6576 5.7767 5.8426 5.8615 5.9316 6.8996 6.9215 7.3261 7.3590 7.3936 7.5441 10.8172 10.9355 11.5902 11.7180 12.2717 12.3158 13.6064 13.7198 13.8034 13.9290 14.1915 14.2546 15.2390 15.2616 k = 0.1010 0.0583 0.1649 ( 2741 PWs) bands (ev): -37.6156 -37.6156 -16.5939 -16.5937 -16.0888 -16.0887 -16.0868 -16.0867 -9.4755 -9.4747 -9.4747 -9.4734 -8.4473 -8.4471 -8.4446 -8.4440 -8.4439 -8.4418 2.6170 2.6173 5.7803 5.8415 5.8616 5.9265 6.9033 6.9219 7.3260 7.3599 7.3967 7.5338 10.9420 11.0553 11.6747 11.7995 12.3018 12.3426 13.6208 13.7338 13.7962 13.9275 14.1775 14.2425 15.2340 15.2557 k = 0.0938 0.0541 0.1531 ( 2741 PWs) bands (ev): -37.6157 -37.6157 -16.5938 -16.5936 -16.0885 -16.0884 -16.0867 -16.0866 -9.4755 -9.4748 -9.4748 -9.4736 -8.4474 -8.4473 -8.4447 -8.4441 -8.4441 -8.4421 2.5791 2.5794 5.7843 5.8407 5.8616 5.9214 6.9070 6.9225 7.3262 7.3613 7.3991 7.5234 11.0656 11.1724 11.7574 11.8775 12.3303 12.3675 13.6396 13.7516 13.7928 13.9285 14.1660 14.2324 15.2250 15.2447 k = 0.0865 0.0500 0.1413 ( 2733 PWs) bands (ev): -37.6157 -37.6157 -16.5936 -16.5934 -16.0881 -16.0881 -16.0866 -16.0866 -9.4755 -9.4749 -9.4748 -9.4738 -8.4475 -8.4474 -8.4447 -8.4442 -8.4442 -8.4423 2.5438 2.5439 5.7885 5.8403 5.8615 5.9162 6.9106 6.9232 7.3270 7.3630 7.4010 7.5129 11.1869 11.2858 11.8383 11.9516 12.3573 12.3907 13.6626 13.7730 13.7938 13.9329 14.1568 14.2242 15.2120 15.2287 k = 0.0793 0.0458 0.1295 ( 2733 PWs) bands (ev): -37.6157 -37.6157 -16.5934 -16.5933 -16.0879 -16.0878 -16.0866 -16.0865 -9.4756 -9.4750 -9.4749 -9.4739 -8.4476 -8.4475 -8.4448 -8.4444 -8.4442 -8.4426 2.5109 2.5110 5.7930 5.8400 5.8613 5.9108 6.9140 6.9241 7.3285 7.3650 7.4024 7.5023 11.3046 11.3938 11.9175 12.0216 12.3829 12.4122 13.6896 13.7977 13.7998 13.9410 14.1496 14.2175 15.1952 15.2080 k = 0.0721 0.0416 0.1178 ( 2733 PWs) bands (ev): -37.6157 -37.6157 -16.5933 -16.5932 -16.0876 -16.0875 -16.0865 -16.0864 -9.4756 -9.4750 -9.4749 -9.4741 -8.4476 -8.4476 -8.4449 -8.4445 -8.4443 -8.4429 2.4807 2.4808 5.7976 5.8401 5.8610 5.9054 6.9173 6.9251 7.3307 7.3671 7.4032 7.4916 11.4171 11.4950 11.9953 12.0877 12.4073 12.4321 13.7203 13.8113 13.8252 13.9534 14.1441 14.2122 15.1747 15.1827 k = 0.0649 0.0375 0.1060 ( 2725 PWs) bands (ev): -37.6158 -37.6157 -16.5932 -16.5931 -16.0873 -16.0873 -16.0864 -16.0864 -9.4756 -9.4751 -9.4749 -9.4743 -8.4477 -8.4476 -8.4449 -8.4446 -8.4444 -8.4432 2.4531 2.4532 5.8025 5.8404 5.8605 5.9000 6.9203 6.9262 7.3337 7.3693 7.4036 7.4810 11.5224 11.5876 12.0720 12.1502 12.4303 12.4506 13.7543 13.8284 13.8551 13.9700 14.1404 14.2083 15.1504 15.1531 k = 0.0577 0.0333 0.0942 ( 2725 PWs) bands (ev): -37.6158 -37.6158 -16.5931 -16.5930 -16.0871 -16.0870 -16.0864 -16.0863 -9.4756 -9.4751 -9.4750 -9.4744 -8.4477 -8.4477 -8.4450 -8.4447 -8.4444 -8.4434 2.4283 2.4284 5.8074 5.8408 5.8599 5.8945 6.9231 6.9273 7.3375 7.3716 7.4035 7.4704 11.6186 11.6700 12.1476 12.2101 12.4518 12.4677 13.7910 13.8510 13.8866 13.9904 14.1386 14.2056 15.1196 15.1221 k = 0.0505 0.0291 0.0824 ( 2729 PWs) bands (ev): -37.6158 -37.6158 -16.5930 -16.5930 -16.0869 -16.0868 -16.0863 -16.0863 -9.4756 -9.4752 -9.4750 -9.4746 -8.4478 -8.4478 -8.4450 -8.4448 -8.4445 -8.4436 2.4063 2.4063 5.8125 5.8415 5.8591 5.8890 6.9255 6.9284 7.3420 7.3739 7.4030 7.4599 11.7035 11.7412 12.2217 12.2681 12.4717 12.4832 13.8297 13.8783 13.9190 14.0132 14.1395 14.2045 15.0827 15.0897 k = 0.0433 0.0250 0.0707 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5929 -16.5929 -16.0867 -16.0867 -16.0863 -16.0863 -9.4756 -9.4753 -9.4751 -9.4747 -8.4479 -8.4479 -8.4451 -8.4448 -8.4446 -8.4439 2.3871 2.3872 5.8177 5.8424 5.8581 5.8835 6.9276 6.9295 7.3472 7.3763 7.4021 7.4494 11.7756 11.8008 12.2933 12.3247 12.4894 12.4972 13.8696 13.9093 13.9509 14.0359 14.1448 14.2051 15.0434 15.0531 k = 0.0361 0.0208 0.0589 ( 2735 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0866 -16.0865 -16.0863 -16.0862 -9.4756 -9.4753 -9.4752 -9.4749 -8.4479 -8.4479 -8.4451 -8.4449 -8.4446 -8.4441 2.3708 2.3709 5.8230 5.8434 5.8570 5.8779 6.9294 6.9305 7.3531 7.3788 7.4009 7.4391 11.8340 11.8491 12.3603 12.3793 12.5047 12.5095 13.9094 13.9424 13.9811 14.0547 14.1573 14.2080 15.0028 15.0129 k = 0.0288 0.0167 0.0471 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0864 -16.0864 -16.0862 -16.0862 -9.4755 -9.4753 -9.4752 -9.4750 -8.4480 -8.4480 -8.4451 -8.4449 -8.4447 -8.4443 2.3575 2.3575 5.8283 5.8446 5.8558 5.8724 6.9309 6.9314 7.3596 7.3813 7.3994 7.4290 11.8792 11.8869 12.4202 12.4302 12.5173 12.5199 13.9476 13.9754 14.0079 14.0663 14.1782 14.2141 14.9624 14.9707 k = 0.0216 0.0125 0.0353 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0863 -16.0863 -16.0862 -16.0862 -9.4755 -9.4753 -9.4752 -9.4751 -8.4480 -8.4480 -8.4450 -8.4449 -8.4447 -8.4445 2.3470 2.3471 5.8337 5.8459 5.8545 5.8668 6.9320 6.9322 7.3668 7.3838 7.3976 7.4191 11.9120 11.9152 12.4703 12.4746 12.5271 12.5282 13.9825 14.0054 14.0297 14.0708 14.2043 14.2238 14.9243 14.9295 k = 0.0144 0.0083 0.0236 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4755 -9.4754 -9.4753 -9.4752 -8.4480 -8.4480 -8.4450 -8.4449 -8.4448 -8.4446 2.3396 2.3396 5.8392 5.8473 5.8531 5.8612 6.9328 6.9328 7.3744 7.3863 7.3956 7.4095 11.9339 11.9349 12.5081 12.5094 12.5340 12.5344 14.0123 14.0293 14.0450 14.0699 14.2294 14.2363 14.8917 14.8937 k = 0.0072 0.0042 0.0118 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4754 -9.4753 -9.4753 -9.4753 -8.4480 -8.4480 -8.4449 -8.4449 -8.4448 -8.4447 2.3351 2.3351 5.8447 5.8487 5.8517 5.8557 6.9332 6.9332 7.3826 7.3888 7.3935 7.4002 11.9464 11.9466 12.5315 12.5317 12.5381 12.5381 14.0360 14.0454 14.0530 14.0642 14.2470 14.2480 14.8687 14.8690 k = 0.0000 0.0000 0.0000 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4753 -9.4753 -9.4753 -9.4753 -8.4480 -8.4480 -8.4448 -8.4448 -8.4448 -8.4448 2.3336 2.3336 5.8502 5.8502 5.8502 5.8502 6.9333 6.9333 7.3912 7.3912 7.3912 7.3912 11.9504 11.9504 12.5394 12.5394 12.5394 12.5394 14.0532 14.0532 14.0532 14.0532 14.2532 14.2532 14.8601 14.8601 k = 0.0000 0.0000 0.0000 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4753 -9.4753 -9.4753 -9.4753 -8.4480 -8.4480 -8.4448 -8.4448 -8.4448 -8.4448 2.3336 2.3336 5.8502 5.8502 5.8502 5.8502 6.9333 6.9333 7.3912 7.3912 7.3912 7.3912 11.9504 11.9504 12.5394 12.5394 12.5394 12.5394 14.0532 14.0532 14.0532 14.0532 14.2532 14.2532 14.8601 14.8601 k = 0.0116 0.0067 0.0047 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4754 -9.4753 -9.4753 -9.4753 -8.4480 -8.4480 -8.4449 -8.4448 -8.4448 -8.4447 2.3351 2.3351 5.8446 5.8502 5.8502 5.8558 6.9332 6.9332 7.3824 7.3911 7.3911 7.4004 11.9466 11.9466 12.5314 12.5314 12.5385 12.5386 14.0361 14.0493 14.0493 14.0644 14.2476 14.2476 14.8687 14.8687 k = 0.0233 0.0134 0.0095 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0862 -16.0862 -16.0862 -16.0862 -9.4755 -9.4753 -9.4753 -9.4752 -8.4480 -8.4480 -8.4450 -8.4448 -8.4448 -8.4446 2.3394 2.3394 5.8390 5.8502 5.8502 5.8615 6.9328 6.9328 7.3741 7.3909 7.3909 7.4099 11.9347 11.9347 12.5081 12.5081 12.5358 12.5359 14.0138 14.0379 14.0379 14.0693 14.2322 14.2322 14.8927 14.8927 k = 0.0349 0.0201 0.0142 ( 2733 PWs) bands (ev): -37.6158 -37.6158 -16.5927 -16.5927 -16.0863 -16.0863 -16.0862 -16.0862 -9.4755 -9.4753 -9.4753 -9.4751 -8.4480 -8.4480 -8.4450 -8.4448 -8.4448 -8.4444 2.3467 2.3467 5.8335 5.8502 5.8502 5.8671 6.9321 6.9321 7.3663 7.3905 7.3905 7.4198 11.9140 11.9140 12.4714 12.4714 12.5311 12.5316 13.9875 14.0204 14.0204 14.0681 14.2101 14.2101 14.9290 14.9290 k = 0.0465 0.0269 0.0190 ( 2734 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0864 -16.0864 -16.0862 -16.0862 -9.4755 -9.4753 -9.4753 -9.4750 -8.4480 -8.4480 -8.4451 -8.4448 -8.4448 -8.4443 2.3569 2.3569 5.8281 5.8502 5.8502 5.8726 6.9312 6.9312 7.3590 7.3900 7.3900 7.4300 11.8830 11.8830 12.4244 12.4244 12.5243 12.5255 13.9582 13.9981 13.9981 14.0612 14.1844 14.1844 14.9740 14.9740 k = 0.0581 0.0336 0.0237 ( 2734 PWs) bands (ev): -37.6158 -37.6158 -16.5928 -16.5928 -16.0865 -16.0865 -16.0863 -16.0862 -9.4756 -9.4752 -9.4752 -9.4749 -8.4479 -8.4479 -8.4451 -8.4448 -8.4448 -8.4441 2.3699 2.3699 5.8229 5.8503 5.8503 5.8780 6.9301 6.9301 7.3523 7.3894 7.3894 7.4405 11.8398 11.8398 12.3712 12.3712 12.5154 12.5175 13.9272 13.9730 13.9730 14.0497 14.1575 14.1575 15.0252 15.0252 k = 0.0698 0.0403 0.0285 ( 2731 PWs) bands (ev): -37.6158 -37.6158 -16.5929 -16.5929 -16.0867 -16.0867 -16.0863 -16.0863 -9.4756 -9.4752 -9.4752 -9.4747 -8.4479 -8.4479 -8.4450 -8.4447 -8.4447 -8.4439 2.3858 2.3858 5.8178 5.8504 5.8504 5.8833 6.9288 6.9288 7.3463 7.3886 7.3886 7.4511 11.7823 11.7823 12.3160 12.3160 12.5042 12.5078 13.8957 13.9464 13.9464 14.0345 14.1307 14.1307 15.0811 15.0811 k = 0.0814 0.0470 0.0332 ( 2728 PWs) bands (ev): -37.6158 -37.6158 -16.5930 -16.5930 -16.0868 -16.0868 -16.0863 -16.0863 -9.4756 -9.4751 -9.4751 -9.4746 -8.4478 -8.4478 -8.4450 -8.4447 -8.4447 -8.4436 2.4045 2.4045 5.8129 5.8505 5.8505 5.8884 6.9272 6.9272 7.3409 7.3876 7.3876 7.4619 11.7091 11.7091 12.2624 12.2624 12.4906 12.4961 13.8645 13.9196 13.9196 14.0169 14.1048 14.1048 15.1407 15.1407 k = 0.0930 0.0537 0.0380 ( 2728 PWs) bands (ev): -37.6158 -37.6158 -16.5930 -16.5930 -16.0871 -16.0871 -16.0864 -16.0863 -9.4756 -9.4751 -9.4751 -9.4745 -8.4477 -8.4477 -8.4449 -8.4446 -8.4446 -8.4434 2.4259 2.4259 5.8082 5.8508 5.8508 5.8933 6.9256 6.9256 7.3361 7.3863 7.3863 7.4728 11.6201 11.6201 12.2125 12.2125 12.4744 12.4825 13.8346 13.8935 13.8935 13.9979 14.0801 14.0801 15.2030 15.2030 k = 0.1047 0.0604 0.0427 ( 2728 PWs) bands (ev): -37.6158 -37.6158 -16.5931 -16.5931 -16.0873 -16.0873 -16.0864 -16.0864 -9.4755 -9.4750 -9.4750 -9.4743 -8.4477 -8.4477 -8.4448 -8.4446 -8.4446 -8.4432 2.4501 2.4501 5.8038 5.8511 5.8511 5.8980 6.9238 6.9238 7.3321 7.3849 7.3849 7.4837 11.5167 11.5167 12.1670 12.1670 12.4555 12.4669 13.8068 13.8687 13.8687 13.9784 14.0568 14.0568 15.2675 15.2675 k = 0.1163 0.0671 0.0475 ( 2734 PWs) bands (ev): -37.6157 -37.6157 -16.5933 -16.5933 -16.0876 -16.0876 -16.0865 -16.0864 -9.4755 -9.4750 -9.4750 -9.4742 -8.4476 -8.4476 -8.4447 -8.4445 -8.4445 -8.4429 2.4770 2.4770 5.7996 5.8515 5.8515 5.9025 6.9220 6.9220 7.3288 7.3832 7.3832 7.4947 11.4009 11.4009 12.1252 12.1252 12.4339 12.4492 13.7816 13.8458 13.8458 13.9594 14.0349 14.0349 15.3336 15.3336 k = 0.1279 0.0738 0.0522 ( 2728 PWs) bands (ev): -37.6157 -37.6157 -16.5934 -16.5934 -16.0878 -16.0878 -16.0865 -16.0864 -9.4755 -9.4749 -9.4749 -9.4740 -8.4475 -8.4475 -8.4445 -8.4445 -8.4445 -8.4426 2.5065 2.5065 5.7958 5.8521 5.8521 5.9066 6.9201 6.9201 7.3263 7.3813 7.3813 7.5056 11.2753 11.2753 12.0863 12.0863 12.4096 12.4294 13.7595 13.8250 13.8250 13.9415 14.0146 14.0146 15.4010 15.4010 k = 0.1395 0.0806 0.0570 ( 2740 PWs) bands (ev): -37.6157 -37.6157 -16.5935 -16.5935 -16.0882 -16.0882 -16.0866 -16.0865 -9.4754 -9.4749 -9.4749 -9.4739 -8.4474 -8.4474 -8.4444 -8.4444 -8.4444 -8.4423 2.5385 2.5385 5.7922 5.8529 5.8529 5.9105 6.9182 6.9182 7.3245 7.3790 7.3790 7.5164 11.1421 11.1421 12.0491 12.0491 12.3827 12.4074 13.7407 13.8066 13.8066 13.9252 13.9958 13.9958 15.4690 15.4690 k = 0.1512 0.0873 0.0617 ( 2740 PWs) bands (ev): -37.6157 -37.6157 -16.5936 -16.5936 -16.0885 -16.0885 -16.0866 -16.0866 -9.4754 -9.4748 -9.4748 -9.4738 -8.4473 -8.4473 -8.4444 -8.4444 -8.4442 -8.4420 2.5730 2.5730 5.7889 5.8539 5.8539 5.9140 6.9164 6.9164 7.3235 7.3764 7.3764 7.5270 11.0033 11.0033 12.0131 12.0131 12.3532 12.3835 13.7256 13.7907 13.7907 13.9111 13.9786 13.9786 15.5372 15.5372 k = 0.1628 0.0940 0.0665 ( 2740 PWs) bands (ev): -37.6156 -37.6156 -16.5938 -16.5938 -16.0888 -16.0888 -16.0867 -16.0866 -9.4753 -9.4747 -9.4747 -9.4736 -8.4472 -8.4472 -8.4443 -8.4443 -8.4440 -8.4417 2.6098 2.6098 5.7859 5.8552 5.8552 5.9172 6.9147 6.9147 7.3233 7.3735 7.3735 7.5374 10.8602 10.8602 11.9777 11.9777 12.3214 12.3575 13.7143 13.7773 13.7773 13.8994 13.9629 13.9629 15.6053 15.6054 k = 0.1744 0.1007 0.0712 ( 2740 PWs) bands (ev): -37.6156 -37.6156 -16.5939 -16.5939 -16.0891 -16.0891 -16.0868 -16.0867 -9.4752 -9.4746 -9.4746 -9.4734 -8.4471 -8.4471 -8.4442 -8.4442 -8.4438 -8.4414 2.6490 2.6490 5.7833 5.8568 5.8568 5.9200 6.9132 6.9132 7.3240 7.3702 7.3702 7.5476 10.7142 10.7142 11.9424 11.9424 12.2875 12.3297 13.7067 13.7666 13.7666 13.8903 13.9489 13.9489 15.6729 15.6729 k = 0.1860 0.1074 0.0760 ( 2740 PWs) bands (ev): -37.6156 -37.6156 -16.5941 -16.5941 -16.0895 -16.0895 -16.0868 -16.0868 -9.4751 -9.4745 -9.4745 -9.4733 -8.4470 -8.4470 -8.4441 -8.4441 -8.4436 -8.4411 2.6903 2.6903 5.7811 5.8588 5.8588 5.9224 6.9118 6.9118 7.3254 7.3664 7.3664 7.5575 10.5661 10.5661 11.9073 11.9073 12.2518 12.3001 13.7027 13.7584 13.7584 13.8840 13.9366 13.9366 15.7394 15.7394 k = 0.1977 0.1141 0.0807 ( 2740 PWs) bands (ev): -37.6156 -37.6156 -16.5942 -16.5942 -16.0898 -16.0898 -16.0869 -16.0868 -9.4750 -9.4743 -9.4743 -9.4731 -8.4468 -8.4468 -8.4440 -8.4440 -8.4433 -8.4408 2.7337 2.7337 5.7792 5.8613 5.8613 5.9244 6.9106 6.9106 7.3277 7.3623 7.3623 7.5670 10.4169 10.4169 11.8721 11.8721 12.2146 12.2689 13.7023 13.7526 13.7526 13.8804 13.9260 13.9260 15.8044 15.8044 k = 0.2093 0.1208 0.0854 ( 2746 PWs) bands (ev): -37.6155 -37.6155 -16.5944 -16.5944 -16.0902 -16.0902 -16.0870 -16.0869 -9.4749 -9.4743 -9.4743 -9.4730 -8.4467 -8.4467 -8.4439 -8.4439 -8.4431 -8.4405 2.7790 2.7790 5.7777 5.8643 5.8643 5.9260 6.9096 6.9096 7.3308 7.3576 7.3576 7.5761 10.2671 10.2671 11.8369 11.8369 12.1762 12.2364 13.7052 13.7492 13.7492 13.8797 13.9173 13.9173 15.8671 15.8671 k = 0.2209 0.1276 0.0902 ( 2752 PWs) bands (ev): -37.6155 -37.6155 -16.5946 -16.5946 -16.0906 -16.0906 -16.0871 -16.0870 -9.4748 -9.4742 -9.4742 -9.4729 -8.4466 -8.4466 -8.4439 -8.4439 -8.4429 -8.4402 2.8261 2.8261 5.7765 5.8680 5.8680 5.9272 6.9089 6.9089 7.3347 7.3523 7.3523 7.5848 10.1174 10.1174 11.8018 11.8018 12.1369 12.2026 13.7113 13.7478 13.7478 13.8816 13.9105 13.9105 15.9249 15.9249 k = 0.2326 0.1343 0.0949 ( 2746 PWs) bands (ev): -37.6155 -37.6155 -16.5947 -16.5947 -16.0910 -16.0910 -16.0871 -16.0871 -9.4747 -9.4740 -9.4740 -9.4727 -8.4465 -8.4465 -8.4437 -8.4437 -8.4426 -8.4399 2.8748 2.8748 5.7758 5.8723 5.8723 5.9279 6.9085 6.9085 7.3394 7.3465 7.3465 7.5929 9.9684 9.9684 11.7668 11.7668 12.0972 12.1679 13.7202 13.7485 13.7485 13.8860 13.9058 13.9058 15.9396 15.9396 k = 0.2442 0.1410 0.0997 ( 2743 PWs) bands (ev): -37.6154 -37.6154 -16.5949 -16.5949 -16.0914 -16.0914 -16.0872 -16.0871 -9.4745 -9.4739 -9.4739 -9.4726 -8.4463 -8.4463 -8.4436 -8.4436 -8.4423 -8.4396 2.9250 2.9250 5.7755 5.8775 5.8775 5.9283 6.9084 6.9084 7.3401 7.3401 7.3448 7.6006 9.8204 9.8204 11.7322 11.7322 12.0572 12.1325 13.7318 13.7509 13.7509 13.8929 13.9031 13.9031 15.8683 15.8683 k = 0.2558 0.1477 0.1044 ( 2746 PWs) bands (ev): -37.6154 -37.6154 -16.5950 -16.5950 -16.0918 -16.0918 -16.0873 -16.0872 -9.4744 -9.4738 -9.4738 -9.4724 -8.4462 -8.4462 -8.4435 -8.4435 -8.4420 -8.4393 2.9764 2.9764 5.7755 5.8836 5.8836 5.9282 6.9086 6.9086 7.3329 7.3329 7.3510 7.6076 9.6737 9.6737 11.6979 11.6979 12.0175 12.0966 13.7458 13.7550 13.7550 13.9019 13.9026 13.9026 15.7841 15.7841 k = 0.2674 0.1544 0.1092 ( 2740 PWs) bands (ev): -37.6154 -37.6154 -16.5952 -16.5952 -16.0921 -16.0921 -16.0874 -16.0873 -9.4743 -9.4736 -9.4736 -9.4723 -8.4460 -8.4460 -8.4434 -8.4434 -8.4417 -8.4390 3.0289 3.0289 5.7759 5.8907 5.8907 5.9276 6.9091 6.9091 7.3250 7.3250 7.3579 7.6139 9.5290 9.5290 11.6643 11.6643 11.9781 12.0605 13.7604 13.7604 13.7620 13.9043 13.9043 13.9130 15.6958 15.6958 k = 0.2791 0.1611 0.1139 ( 2734 PWs) bands (ev): -37.6153 -37.6153 -16.5953 -16.5953 -16.0925 -16.0925 -16.0874 -16.0874 -9.4741 -9.4735 -9.4735 -9.4722 -8.4458 -8.4458 -8.4433 -8.4433 -8.4413 -8.4386 3.0821 3.0821 5.7768 5.8990 5.8990 5.9267 6.9100 6.9100 7.3163 7.3163 7.3655 7.6196 9.3865 9.3865 11.6313 11.6313 11.9395 12.0243 13.7671 13.7671 13.7801 13.9083 13.9083 13.9258 15.6056 15.6056 k = 0.2907 0.1678 0.1187 ( 2740 PWs) bands (ev): -37.6153 -37.6153 -16.5955 -16.5955 -16.0929 -16.0929 -16.0875 -16.0875 -9.4740 -9.4734 -9.4734 -9.4721 -8.4457 -8.4457 -8.4432 -8.4432 -8.4410 -8.4384 3.1359 3.1359 5.7780 5.9086 5.9086 5.9253 6.9110 6.9110 7.3066 7.3066 7.3738 7.6246 9.2466 9.2466 11.5992 11.5992 11.9019 11.9884 13.7750 13.7750 13.7999 13.9144 13.9144 13.9402 15.5146 15.5146 k = 0.3023 0.1745 0.1234 ( 2740 PWs) bands (ev): -37.6153 -37.6153 -16.5957 -16.5957 -16.0932 -16.0932 -16.0876 -16.0875 -9.4738 -9.4733 -9.4733 -9.4720 -8.4456 -8.4456 -8.4431 -8.4431 -8.4407 -8.4381 3.1900 3.1900 5.7795 5.9196 5.9196 5.9235 6.9124 6.9124 7.2959 7.2959 7.3827 7.6288 9.1097 9.1097 11.5681 11.5681 11.8654 11.9528 13.7840 13.7840 13.8210 13.9225 13.9225 13.9558 15.4237 15.4237 k = 0.3140 0.1813 0.1282 ( 2746 PWs) bands (ev): -37.6153 -37.6153 -16.5958 -16.5958 -16.0936 -16.0936 -16.0877 -16.0876 -9.4737 -9.4732 -9.4732 -9.4719 -8.4455 -8.4455 -8.4431 -8.4431 -8.4404 -8.4379 3.2441 3.2441 5.7815 5.9213 5.9322 5.9322 6.9138 6.9138 7.2841 7.2841 7.3921 7.6322 8.9764 8.9764 11.5381 11.5381 11.8304 11.9179 13.7942 13.7942 13.8433 13.9326 13.9326 13.9725 15.3336 15.3336 k = 0.3256 0.1880 0.1329 ( 2761 PWs) bands (ev): -37.6152 -37.6152 -16.5960 -16.5960 -16.0940 -16.0940 -16.0878 -16.0877 -9.4736 -9.4731 -9.4731 -9.4718 -8.4454 -8.4454 -8.4430 -8.4430 -8.4402 -8.4378 3.2978 3.2978 5.7837 5.9188 5.9467 5.9467 6.9154 6.9154 7.2710 7.2710 7.4020 7.6348 8.8470 8.8470 11.5093 11.5093 11.7969 11.8838 13.8056 13.8056 13.8666 13.9442 13.9442 13.9899 15.2448 15.2448 k = 0.3372 0.1947 0.1377 ( 2761 PWs) bands (ev): -37.6152 -37.6152 -16.5962 -16.5962 -16.0944 -16.0944 -16.0878 -16.0878 -9.4734 -9.4730 -9.4730 -9.4717 -8.4452 -8.4452 -8.4429 -8.4429 -8.4398 -8.4375 3.3508 3.3508 5.7864 5.9159 5.9630 5.9630 6.9170 6.9170 7.2565 7.2565 7.4124 7.6365 8.7222 8.7222 11.4819 11.4819 11.7653 11.8506 13.8183 13.8183 13.8905 13.9573 13.9573 14.0078 15.1578 15.1578 k = 0.3488 0.2014 0.1424 ( 2752 PWs) bands (ev): -37.6152 -37.6152 -16.5963 -16.5963 -16.0946 -16.0946 -16.0879 -16.0878 -9.4732 -9.4729 -9.4729 -9.4716 -8.4451 -8.4451 -8.4428 -8.4428 -8.4395 -8.4373 3.4027 3.4027 5.7894 5.9126 5.9814 5.9814 6.9185 6.9185 7.2404 7.2404 7.4233 7.6374 8.6025 8.6025 11.4560 11.4560 11.7357 11.8187 13.8324 13.8324 13.9149 13.9715 13.9715 14.0259 15.0729 15.0729 k = 0.3605 0.2081 0.1472 ( 2740 PWs) bands (ev): -37.6152 -37.6152 -16.5964 -16.5964 -16.0949 -16.0949 -16.0879 -16.0878 -9.4730 -9.4727 -9.4727 -9.4715 -8.4449 -8.4449 -8.4427 -8.4427 -8.4391 -8.4371 3.4531 3.4531 5.7927 5.9091 6.0021 6.0021 6.9197 6.9197 7.2226 7.2226 7.4345 7.6374 8.4886 8.4886 11.4317 11.4317 11.7081 11.7881 13.8481 13.8481 13.9394 13.9864 13.9864 14.0439 14.9904 14.9904 k = 0.3721 0.2148 0.1519 ( 2740 PWs) bands (ev): -37.6151 -37.6151 -16.5965 -16.5965 -16.0952 -16.0952 -16.0879 -16.0879 -9.4729 -9.4726 -9.4726 -9.4715 -8.4448 -8.4448 -8.4426 -8.4426 -8.4388 -8.4369 3.5017 3.5017 5.7963 5.9052 6.0250 6.0250 6.9204 6.9204 7.2029 7.2029 7.4460 7.6366 8.3812 8.3812 11.4090 11.4090 11.6827 11.7590 13.8654 13.8654 13.9638 14.0018 14.0018 14.0614 14.9105 14.9105 k = 0.3837 0.2215 0.1567 ( 2746 PWs) bands (ev): -37.6151 -37.6151 -16.5966 -16.5966 -16.0955 -16.0955 -16.0880 -16.0880 -9.4728 -9.4726 -9.4726 -9.4715 -8.4447 -8.4447 -8.4426 -8.4426 -8.4386 -8.4368 3.5479 3.5479 5.8001 5.9010 6.0503 6.0503 6.9201 6.9201 7.1814 7.1814 7.4576 7.6348 8.2811 8.2811 11.3880 11.3880 11.6596 11.7314 13.8844 13.8844 13.9878 14.0173 14.0173 14.0783 14.8334 14.8334 k = 0.3953 0.2283 0.1614 ( 2746 PWs) bands (ev): -37.6151 -37.6151 -16.5967 -16.5967 -16.0957 -16.0957 -16.0881 -16.0880 -9.4726 -9.4725 -9.4725 -9.4714 -8.4446 -8.4446 -8.4425 -8.4425 -8.4383 -8.4366 3.5915 3.5915 5.8043 5.8966 6.0780 6.0780 6.9184 6.9184 7.1582 7.1582 7.4695 7.6321 8.1892 8.1892 11.3688 11.3688 11.6390 11.7056 13.9054 13.9054 14.0112 14.0325 14.0325 14.0941 14.7593 14.7593 k = 0.4070 0.2350 0.1661 ( 2749 PWs) bands (ev): -37.6151 -37.6151 -16.5968 -16.5968 -16.0959 -16.0959 -16.0881 -16.0881 -9.4725 -9.4724 -9.4724 -9.4714 -8.4446 -8.4446 -8.4425 -8.4425 -8.4381 -8.4366 3.6318 3.6318 5.8087 5.8919 6.1080 6.1080 6.9145 6.9145 7.1338 7.1338 7.4814 7.6286 8.1062 8.1062 11.3514 11.3514 11.6208 11.6817 13.9283 13.9283 14.0337 14.0472 14.0472 14.1087 14.6883 14.6883 k = 0.4186 0.2417 0.1709 ( 2749 PWs) bands (ev): -37.6151 -37.6151 -16.5969 -16.5969 -16.0961 -16.0961 -16.0881 -16.0881 -9.4724 -9.4723 -9.4723 -9.4714 -8.4445 -8.4445 -8.4424 -8.4424 -8.4378 -8.4365 3.6686 3.6686 5.8133 5.8871 6.1399 6.1399 6.9075 6.9075 7.1094 7.1094 7.4934 7.6241 8.0327 8.0327 11.3360 11.3360 11.6052 11.6598 13.9531 13.9531 14.0549 14.0611 14.0611 14.1217 14.6206 14.6206 k = 0.4302 0.2484 0.1756 ( 2752 PWs) bands (ev): -37.6150 -37.6150 -16.5970 -16.5970 -16.0963 -16.0963 -16.0882 -16.0881 -9.4723 -9.4723 -9.4722 -9.4714 -8.4444 -8.4444 -8.4424 -8.4424 -8.4376 -8.4364 3.7014 3.7014 5.8181 5.8821 6.1734 6.1734 6.8960 6.8960 7.0865 7.0865 7.5053 7.6189 7.9693 7.9693 11.3226 11.3226 11.5922 11.6400 13.9799 13.9799 14.0740 14.0740 14.0747 14.1328 14.5562 14.5562 k = 0.4419 0.2551 0.1804 ( 2758 PWs) bands (ev): -37.6150 -37.6150 -16.5971 -16.5971 -16.0965 -16.0965 -16.0882 -16.0882 -9.4723 -9.4723 -9.4722 -9.4715 -8.4444 -8.4444 -8.4423 -8.4423 -8.4374 -8.4364 3.7299 3.7299 5.8231 5.8769 6.2077 6.2077 6.8794 6.8794 7.0669 7.0669 7.5170 7.6128 7.9162 7.9162 11.3111 11.3111 11.5818 11.6223 14.0085 14.0085 14.0855 14.0855 14.0928 14.1419 14.4955 14.4955 k = 0.4535 0.2618 0.1851 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0966 -16.0966 -16.0883 -16.0883 -9.4722 -9.4722 -9.4721 -9.4715 -8.4444 -8.4444 -8.4423 -8.4423 -8.4372 -8.4365 3.7536 3.7536 5.8282 5.8716 6.2414 6.2414 6.8579 6.8579 7.0519 7.0519 7.5286 7.6059 7.8733 7.8733 11.3016 11.3016 11.5741 11.6069 14.0384 14.0384 14.0957 14.0957 14.1090 14.1487 14.4388 14.4388 k = 0.4651 0.2685 0.1899 ( 2770 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0967 -16.0967 -16.0883 -16.0883 -9.4722 -9.4722 -9.4720 -9.4715 -8.4443 -8.4443 -8.4423 -8.4423 -8.4371 -8.4365 3.7724 3.7724 5.8334 5.8662 6.2727 6.2727 6.8340 6.8340 7.0415 7.0415 7.5399 7.5983 7.8406 7.8406 11.2943 11.2943 11.5690 11.5939 14.0684 14.0684 14.1050 14.1050 14.1229 14.1530 14.3867 14.3867 k = 0.4767 0.2752 0.1946 ( 2770 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0968 -16.0968 -16.0883 -16.0883 -9.4722 -9.4722 -9.4719 -9.4716 -8.4443 -8.4443 -8.4423 -8.4423 -8.4369 -8.4366 3.7860 3.7860 5.8388 5.8607 6.2990 6.2990 6.8116 6.8116 7.0350 7.0350 7.5509 7.5900 7.8175 7.8175 11.2891 11.2891 11.5667 11.5834 14.0933 14.0933 14.1167 14.1167 14.1345 14.1547 14.3410 14.3410 k = 0.4884 0.2820 0.1994 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0968 -16.0968 -16.0883 -16.0883 -9.4722 -9.4722 -9.4718 -9.4716 -8.4443 -8.4443 -8.4423 -8.4423 -8.4368 -8.4366 3.7942 3.7942 5.8443 5.8552 6.3168 6.3168 6.7954 6.7954 7.0315 7.0315 7.5614 7.5811 7.8038 7.8038 11.2859 11.2859 11.5669 11.5753 14.1044 14.1044 14.1353 14.1353 14.1436 14.1537 14.3060 14.3060 k = 0.5000 0.2887 0.2041 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0969 -16.0969 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4443 -8.4422 -8.4422 -8.4367 -8.4367 3.7970 3.7970 5.8497 5.8497 6.3232 6.3232 6.7894 6.7894 7.0304 7.0304 7.5715 7.5715 7.7993 7.7993 11.2848 11.2848 11.5698 11.5698 14.1068 14.1068 14.1455 14.1455 14.1500 14.1500 14.2916 14.2916 k = 0.5000 0.2887 0.2041 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0969 -16.0969 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4443 -8.4422 -8.4422 -8.4367 -8.4367 3.7970 3.7970 5.8497 5.8497 6.3232 6.3232 6.7894 6.7894 7.0304 7.0304 7.5715 7.5715 7.7993 7.7993 11.2848 11.2848 11.5698 11.5698 14.1068 14.1068 14.1455 14.1455 14.1500 14.1500 14.2916 14.2916 k = 0.5042 0.2766 0.2109 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5973 -16.5972 -16.0969 -16.0968 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7968 3.7985 5.8498 5.8499 6.3227 6.3228 6.7795 6.8008 7.0308 7.0309 7.5722 7.5722 7.7910 7.8085 11.2798 11.2827 11.5659 11.5660 14.0782 14.1011 14.1242 14.1375 14.1765 14.1834 14.2954 14.3027 k = 0.5083 0.2646 0.2177 ( 2768 PWs) bands (ev): -37.6150 -37.6150 -16.5974 -16.5971 -16.0969 -16.0968 -16.0883 -16.0883 -9.4723 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7980 3.8014 5.8501 5.8502 6.3212 6.3214 6.7713 6.8133 7.0318 7.0325 7.5742 7.5744 7.7834 7.8187 11.2671 11.2734 11.5545 11.5552 14.0421 14.0666 14.1240 14.1354 14.2046 14.2078 14.3208 14.3306 k = 0.5125 0.2526 0.2245 ( 2766 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5970 -16.0969 -16.0967 -16.0884 -16.0884 -9.4724 -9.4723 -9.4716 -9.4716 -8.4444 -8.4442 -8.4423 -8.4422 -8.4368 -8.4367 3.8006 3.8057 5.8504 5.8509 6.3182 6.3196 6.7651 6.8264 7.0335 7.0355 7.5775 7.5781 7.7767 7.8299 11.2458 11.2565 11.5367 11.5387 14.0074 14.0343 14.1241 14.1354 14.2157 14.2216 14.3696 14.3776 k = 0.5167 0.2406 0.2313 ( 2760 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4724 -9.4723 -9.4716 -9.4715 -8.4444 -8.4441 -8.4423 -8.4422 -8.4368 -8.4368 3.8044 3.8113 5.8509 5.8519 6.3139 6.3177 6.7610 6.8396 7.0356 7.0399 7.5819 7.5832 7.7707 7.8423 11.2150 11.2311 11.5142 11.5186 13.9756 14.0060 14.1239 14.1359 14.2147 14.2295 14.4329 14.4390 k = 0.5208 0.2285 0.2381 ( 2758 PWs) bands (ev): -37.6150 -37.6150 -16.5976 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4725 -9.4724 -9.4715 -9.4715 -8.4444 -8.4441 -8.4424 -8.4421 -8.4368 -8.4368 3.8096 3.8182 5.8514 5.8534 6.3082 6.3159 6.7587 6.8525 7.0382 7.0460 7.5873 7.5898 7.7657 7.8561 11.1738 11.1964 11.4889 11.4967 13.9469 13.9816 14.1237 14.1366 14.2099 14.2323 14.5042 14.5094 k = 0.5250 0.2165 0.2449 ( 2756 PWs) bands (ev): -37.6150 -37.6150 -16.5977 -16.5968 -16.0969 -16.0965 -16.0885 -16.0885 -9.4726 -9.4725 -9.4715 -9.4714 -8.4444 -8.4440 -8.4424 -8.4421 -8.4369 -8.4368 3.8160 3.8263 5.8519 5.8553 6.3013 6.3144 6.7583 6.8646 7.0411 7.0539 7.5935 7.5975 7.7617 7.8713 11.1219 11.1518 11.4627 11.4746 13.9206 13.9605 14.1235 14.1374 14.2035 14.2321 14.5803 14.5852 k = 0.5292 0.2045 0.2518 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5977 -16.5967 -16.0969 -16.0964 -16.0886 -16.0886 -9.4727 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4424 -8.4421 -8.4370 -8.4369 3.8235 3.8357 5.8524 5.8577 6.2933 6.3134 6.7594 6.8758 7.0443 7.0635 7.6004 7.6063 7.7590 7.8881 11.0599 11.0974 11.4368 11.4530 13.8962 13.9420 14.1235 14.1382 14.1965 14.2301 14.6588 14.6638 k = 0.5333 0.1925 0.2586 ( 2744 PWs) bands (ev): -37.6150 -37.6149 -16.5978 -16.5966 -16.0969 -16.0963 -16.0887 -16.0886 -9.4728 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4425 -8.4420 -8.4371 -8.4369 3.8321 3.8462 5.8528 5.8608 6.2844 6.3133 6.7617 6.8860 7.0480 7.0747 7.6077 7.6155 7.7583 7.9066 10.9889 11.0340 11.4119 11.4322 13.8729 13.9255 14.1236 14.1386 14.1896 14.2269 14.7372 14.7430 k = 0.5375 0.1804 0.2654 ( 2741 PWs) bands (ev): -37.6150 -37.6149 -16.5978 -16.5966 -16.0968 -16.0961 -16.0888 -16.0887 -9.4729 -9.4727 -9.4713 -9.4712 -8.4444 -8.4439 -8.4425 -8.4420 -8.4372 -8.4369 3.8418 3.8578 5.8533 5.8644 6.2749 6.3141 6.7649 6.8951 7.0521 7.0870 7.6154 7.6244 7.7601 7.9268 10.9102 10.9629 11.3878 11.4121 13.8500 13.9101 14.1240 14.1387 14.1834 14.2229 14.8126 14.8200 k = 0.5417 0.1684 0.2722 ( 2740 PWs) bands (ev): -37.6150 -37.6149 -16.5979 -16.5965 -16.0968 -16.0960 -16.0889 -16.0888 -9.4730 -9.4728 -9.4713 -9.4712 -8.4444 -8.4439 -8.4426 -8.4419 -8.4373 -8.4370 3.8524 3.8704 5.8537 5.8688 6.2649 6.3160 6.7686 6.9033 7.0567 7.1003 7.6232 7.6320 7.7654 7.9488 10.8255 10.8855 11.3644 11.3922 13.8267 13.8951 14.1247 14.1382 14.1786 14.2186 14.8812 14.8917 k = 0.5458 0.1564 0.2790 ( 2742 PWs) bands (ev): -37.6150 -37.6149 -16.5980 -16.5965 -16.0968 -16.0959 -16.0890 -16.0889 -9.4731 -9.4729 -9.4713 -9.4712 -8.4444 -8.4440 -8.4426 -8.4419 -8.4374 -8.4370 3.8638 3.8838 5.8540 5.8740 6.2546 6.3191 6.7725 6.9109 7.0619 7.1140 7.6310 7.6374 7.7751 7.9725 10.7361 10.8034 11.3413 11.3725 13.8024 13.8798 14.1256 14.1371 14.1755 14.2143 14.9384 14.9537 k = 0.5500 0.1443 0.2858 ( 2748 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5965 -16.0968 -16.0958 -16.0892 -16.0891 -9.4733 -9.4730 -9.4713 -9.4712 -8.4445 -8.4440 -8.4427 -8.4418 -8.4376 -8.4371 3.8759 3.8980 5.8543 5.8800 6.2442 6.3236 6.7762 6.9179 7.0679 7.1277 7.6387 7.6401 7.7896 7.9978 10.6433 10.7178 11.3184 11.3527 13.7766 13.8635 14.1268 14.1356 14.1742 14.2104 14.9789 15.0006 k = 0.5542 0.1323 0.2926 ( 2746 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5964 -16.0967 -16.0957 -16.0894 -16.0892 -9.4734 -9.4731 -9.4713 -9.4711 -8.4445 -8.4440 -8.4428 -8.4418 -8.4378 -8.4371 3.8887 3.9129 5.8545 5.8868 6.2339 6.3296 6.7795 6.9247 7.0747 7.1412 7.6400 7.6462 7.8085 8.0245 10.5483 10.6302 11.2956 11.3328 13.7488 13.8455 14.1285 14.1344 14.1746 14.2073 14.9987 15.0270 k = 0.5583 0.1203 0.2994 ( 2746 PWs) bands (ev): -37.6150 -37.6149 -16.5982 -16.5964 -16.0967 -16.0956 -16.0895 -16.0893 -9.4735 -9.4732 -9.4713 -9.4711 -8.4445 -8.4441 -8.4429 -8.4417 -8.4379 -8.4371 3.9020 3.9283 5.8547 5.8946 6.2238 6.3370 6.7821 6.9313 7.0823 7.1543 7.6375 7.6534 7.8314 8.0524 10.4523 10.5414 11.2727 11.3127 13.7187 13.8253 14.1306 14.1340 14.1763 14.2054 14.9976 15.0299 k = 0.5625 0.1083 0.3062 ( 2746 PWs) bands (ev): -37.6150 -37.6148 -16.5982 -16.5963 -16.0967 -16.0954 -16.0897 -16.0894 -9.4736 -9.4733 -9.4714 -9.4711 -8.4445 -8.4441 -8.4429 -8.4416 -8.4381 -8.4371 3.9156 3.9441 5.8548 5.9033 6.2140 6.3460 6.7839 6.9379 7.0910 7.1668 7.6330 7.6603 7.8572 8.0812 10.3562 10.4527 11.2497 11.2924 13.6863 13.8024 14.1332 14.1348 14.1789 14.2048 14.9794 15.0116 k = 0.5667 0.0962 0.3130 ( 2749 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0953 -16.0899 -16.0895 -9.4737 -9.4735 -9.4714 -9.4711 -8.4446 -8.4442 -8.4431 -8.4416 -8.4383 -8.4371 3.9295 3.9601 5.8548 5.9130 6.2045 6.3567 6.7847 6.9444 7.1006 7.1787 7.6269 7.6668 7.8852 8.1103 10.2611 10.3652 11.2268 11.2720 13.6517 13.7768 14.1363 14.1371 14.1823 14.2058 14.9500 14.9783 k = 0.5708 0.0842 0.3198 ( 2745 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0951 -16.0900 -16.0896 -9.4738 -9.4735 -9.4714 -9.4711 -8.4446 -8.4442 -8.4431 -8.4415 -8.4384 -8.4371 3.9436 3.9763 5.8548 5.9236 6.1954 6.3689 6.7844 6.9510 7.1113 7.1899 7.6196 7.6729 7.9145 8.1392 10.1681 10.2797 11.2039 11.2515 13.6150 13.7482 14.1401 14.1409 14.1863 14.2085 14.9144 14.9366 k = 0.5750 0.0722 0.3266 ( 2746 PWs) bands (ev): -37.6150 -37.6148 -16.5984 -16.5963 -16.0965 -16.0950 -16.0902 -16.0897 -9.4739 -9.4736 -9.4715 -9.4711 -8.4447 -8.4443 -8.4432 -8.4414 -8.4386 -8.4371 3.9577 3.9925 5.8546 5.9352 6.1866 6.3828 6.7831 6.9575 7.1230 7.2005 7.6113 7.6785 7.9444 8.1674 10.0782 10.1975 11.1811 11.2310 13.5766 13.7168 14.1445 14.1462 14.1909 14.2128 14.8762 14.8914 k = 0.5792 0.0601 0.3334 ( 2744 PWs) bands (ev): -37.6149 -37.6148 -16.5984 -16.5962 -16.0965 -16.0949 -16.0904 -16.0898 -9.4740 -9.4737 -9.4715 -9.4711 -8.4447 -8.4444 -8.4433 -8.4413 -8.4387 -8.4370 3.9716 4.0084 5.8543 5.9477 6.1784 6.3982 6.7807 6.9640 7.1357 7.2106 7.6020 7.6838 7.9739 8.1942 9.9926 10.1197 11.1587 11.2106 13.5368 13.6829 14.1496 14.1530 14.1960 14.2186 14.8379 14.8458 k = 0.5833 0.0481 0.3402 ( 2736 PWs) bands (ev): -37.6149 -37.6148 -16.5984 -16.5962 -16.0965 -16.0947 -16.0906 -16.0899 -9.4740 -9.4738 -9.4716 -9.4710 -8.4447 -8.4445 -8.4434 -8.4412 -8.4388 -8.4369 3.9852 4.0240 5.8539 5.9612 6.1705 6.4151 6.7772 6.9702 7.1492 7.2203 7.5919 7.6886 8.0022 8.2186 9.9124 10.0475 11.1366 11.1905 13.4960 13.6469 14.1552 14.1610 14.2016 14.2259 14.8008 14.8018 k = 0.5875 0.0361 0.3470 ( 2739 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5962 -16.0964 -16.0946 -16.0908 -16.0900 -9.4741 -9.4739 -9.4716 -9.4710 -8.4448 -8.4446 -8.4435 -8.4411 -8.4390 -8.4369 3.9985 4.0391 5.8533 5.9753 6.1630 6.4332 6.7729 6.9760 7.1636 7.2297 7.5812 7.6930 8.0284 8.2400 9.8389 9.9820 11.1150 11.1706 13.4546 13.6092 14.1615 14.1702 14.2076 14.2344 14.7603 14.7659 k = 0.5917 0.0241 0.3538 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0944 -16.0910 -16.0901 -9.4742 -9.4740 -9.4717 -9.4711 -8.4449 -8.4447 -8.4437 -8.4411 -8.4391 -8.4368 4.0112 4.0535 5.8525 5.9902 6.1560 6.4525 6.7676 6.9812 7.1788 7.2389 7.5700 7.6970 8.0517 8.2574 9.7734 9.9245 11.0941 11.1511 13.4132 13.5703 14.1682 14.1802 14.2139 14.2440 14.7220 14.7338 k = 0.5958 0.0120 0.3606 ( 2739 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0943 -16.0911 -16.0901 -9.4742 -9.4741 -9.4718 -9.4710 -8.4450 -8.4448 -8.4438 -8.4411 -8.4391 -8.4368 4.0232 4.0670 5.8515 6.0055 6.1493 6.4725 6.7617 6.9856 7.1947 7.2481 7.5585 7.7005 8.0713 8.2700 9.7170 9.8761 11.0739 11.1322 13.3721 13.5308 14.1753 14.1907 14.2207 14.2544 14.6872 14.7048 k = 0.6000-0.0000 0.3674 ( 2736 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0942 -16.0913 -16.0902 -9.4743 -9.4742 -9.4719 -9.4710 -8.4450 -8.4449 -8.4438 -8.4410 -8.4392 -8.4367 4.0345 4.0796 5.8503 6.0210 6.1429 6.4930 6.7552 6.9890 7.2111 7.2574 7.5471 7.7037 8.0864 8.2773 9.6709 9.8380 11.0547 11.1139 13.3316 13.4912 14.1826 14.2014 14.2277 14.2654 14.6558 14.6792 k = 0.6042-0.0120 0.3742 ( 2738 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0941 -16.0914 -16.0902 -9.4743 -9.4742 -9.4719 -9.4711 -8.4451 -8.4451 -8.4439 -8.4411 -8.4392 -8.4367 4.0448 4.0910 5.8488 6.0365 6.1369 6.5133 6.7483 6.9911 7.2280 7.2668 7.5360 7.7065 8.0967 8.2789 9.6360 9.8107 11.0365 11.0964 13.2922 13.4519 14.1900 14.2115 14.2352 14.2766 14.6276 14.6572 k = 0.6083-0.0241 0.3810 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0940 -16.0915 -16.0902 -9.4744 -9.4743 -9.4720 -9.4711 -8.4452 -8.4452 -8.4440 -8.4412 -8.4391 -8.4366 4.0540 4.1011 5.8471 6.0514 6.1313 6.5330 6.7412 6.9916 7.2452 7.2765 7.5260 7.7090 8.1020 8.2748 9.6129 9.7947 11.0194 11.0798 13.2541 13.4133 14.1972 14.2205 14.2432 14.2876 14.6018 14.6387 k = 0.6125-0.0361 0.3878 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0916 -16.0902 -9.4744 -9.4744 -9.4722 -9.4711 -8.4453 -8.4453 -8.4441 -8.4412 -8.4391 -8.4366 4.0620 4.1097 5.8452 6.0651 6.1262 6.5511 6.7341 6.9904 7.2626 7.2863 7.5175 7.7112 8.1026 8.2657 9.6016 9.7900 11.0037 11.0641 13.2175 13.3758 14.2038 14.2273 14.2518 14.2980 14.5759 14.6228 k = 0.6167-0.0481 0.3946 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4745 -9.4744 -9.4723 -9.4711 -8.4455 -8.4454 -8.4441 -8.4413 -8.4391 -8.4366 4.0687 4.1167 5.8430 6.0766 6.1223 6.5668 6.7273 6.9873 7.2800 7.2962 7.5115 7.7130 8.0994 8.2525 9.6020 9.7960 10.9893 11.0495 13.1827 13.3397 14.2091 14.2312 14.2604 14.3073 14.5464 14.5998 k = 0.6208-0.0601 0.4014 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4746 -9.4744 -9.4724 -9.4711 -8.4456 -8.4455 -8.4442 -8.4414 -8.4390 -8.4365 4.0739 4.1220 5.8405 6.0840 6.1206 6.5790 6.7212 6.9826 7.2972 7.3059 7.5088 7.7146 8.0934 8.2364 9.6133 9.8121 10.9764 11.0361 13.1499 13.3052 14.2122 14.2314 14.2686 14.3150 14.5136 14.5628 k = 0.6250-0.0722 0.4082 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.6250-0.0722 0.4082 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.6181-0.0682 0.4196 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0965 -16.0939 -16.0917 -16.0902 -9.4747 -9.4744 -9.4725 -9.4711 -8.4458 -8.4456 -8.4442 -8.4414 -8.4389 -8.4365 4.0776 4.1255 5.8381 6.0856 6.1222 6.5866 6.7168 6.9766 7.2946 7.3340 7.5108 7.7155 8.0867 8.2198 9.6337 9.8371 10.9603 11.0203 13.1228 13.2758 14.2097 14.2246 14.2750 14.3195 14.4794 14.5263 k = 0.6111-0.0642 0.4309 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4747 -9.4743 -9.4725 -9.4711 -8.4458 -8.4456 -8.4442 -8.4414 -8.4389 -8.4365 4.0780 4.1263 5.8395 6.0853 6.1214 6.5873 6.7189 6.9768 7.2748 7.3527 7.5127 7.7144 8.0890 8.2219 9.6311 9.8369 10.9461 11.0093 13.1339 13.2860 14.2035 14.2176 14.2722 14.3161 14.4707 14.5163 k = 0.6042-0.0601 0.4423 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0917 -16.0902 -9.4748 -9.4742 -9.4725 -9.4711 -8.4458 -8.4456 -8.4441 -8.4413 -8.4389 -8.4365 4.0787 4.1275 5.8418 6.0848 6.1201 6.5884 6.7224 6.9769 7.2553 7.3700 7.5162 7.7126 8.0929 8.2252 9.6267 9.8366 10.9235 10.9912 13.1520 13.3024 14.1937 14.2063 14.2669 14.3098 14.4592 14.5028 k = 0.5972-0.0561 0.4536 ( 2739 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0917 -16.0903 -9.4748 -9.4742 -9.4725 -9.4710 -8.4459 -8.4456 -8.4441 -8.4412 -8.4389 -8.4366 4.0797 4.1291 5.8450 6.0838 6.1185 6.5901 6.7272 6.9769 7.2365 7.3854 7.5215 7.7101 8.0983 8.2299 9.6205 9.8361 10.8939 10.9664 13.1763 13.3246 14.1808 14.1912 14.2585 14.3003 14.4473 14.4883 k = 0.5903-0.0521 0.4649 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0938 -16.0918 -16.0904 -9.4749 -9.4741 -9.4725 -9.4710 -8.4459 -8.4456 -8.4440 -8.4411 -8.4390 -8.4366 4.0809 4.1311 5.8491 6.0823 6.1169 6.5923 6.7333 6.9763 7.2187 7.3984 7.5288 7.7071 8.1051 8.2357 9.6122 9.8352 10.8590 10.9359 13.2062 13.3517 14.1654 14.1731 14.2467 14.2875 14.4363 14.4745 k = 0.5833-0.0481 0.4763 ( 2745 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0964 -16.0937 -16.0918 -16.0904 -9.4750 -9.4740 -9.4725 -9.4710 -8.4460 -8.4456 -8.4439 -8.4410 -8.4390 -8.4367 4.0824 4.1335 5.8539 6.0799 6.1155 6.5952 6.7407 6.9751 7.2020 7.4086 7.5381 7.7035 8.1133 8.2425 9.6019 9.8339 10.8203 10.9006 13.2408 13.3831 14.1478 14.1528 14.2316 14.2714 14.4269 14.4626 k = 0.5764-0.0441 0.4876 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0937 -16.0919 -16.0905 -9.4750 -9.4739 -9.4725 -9.4710 -8.4460 -8.4456 -8.4438 -8.4409 -8.4390 -8.4368 4.0841 4.1362 5.8595 6.0766 6.1146 6.5988 6.7491 6.9728 7.1868 7.4160 7.5493 7.6996 8.1228 8.2502 9.5893 9.8318 10.7795 10.8619 13.2791 13.4177 14.1286 14.1312 14.2136 14.2527 14.4189 14.4527 k = 0.5694-0.0401 0.4990 ( 2745 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0936 -16.0919 -16.0906 -9.4751 -9.4739 -9.4726 -9.4710 -8.4460 -8.4457 -8.4437 -8.4408 -8.4391 -8.4369 4.0859 4.1392 5.8658 6.0723 6.1142 6.6031 6.7587 6.9693 7.1732 7.4209 7.5618 7.6954 8.1333 8.2586 9.5745 9.8290 10.7383 10.8212 13.3203 13.4549 14.1079 14.1094 14.1936 14.2319 14.4122 14.4447 k = 0.5625-0.0361 0.5103 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5962 -16.0963 -16.0935 -16.0920 -16.0907 -9.4751 -9.4738 -9.4726 -9.4710 -8.4461 -8.4457 -8.4436 -8.4406 -8.4391 -8.4370 4.0879 4.1423 5.8726 6.0670 6.1145 6.6081 6.7691 6.9644 7.1612 7.4238 7.5750 7.6910 8.1448 8.2673 9.5575 9.8252 10.6982 10.7801 13.3635 13.4936 14.0867 14.0876 14.1723 14.2096 14.4065 14.4381 k = 0.5556-0.0321 0.5217 ( 2751 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0963 -16.0934 -16.0920 -16.0908 -9.4752 -9.4738 -9.4726 -9.4710 -8.4461 -8.4458 -8.4435 -8.4405 -8.4392 -8.4371 4.0900 4.1455 5.8799 6.0611 6.1152 6.6138 6.7802 6.9580 7.1510 7.4251 7.5881 7.6866 8.1570 8.2761 9.5386 9.8203 10.6604 10.7398 13.4078 13.5330 14.0655 14.0665 14.1505 14.1864 14.4014 14.4323 k = 0.5486-0.0281 0.5330 ( 2753 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0962 -16.0934 -16.0921 -16.0910 -9.4752 -9.4737 -9.4726 -9.4709 -8.4461 -8.4458 -8.4434 -8.4404 -8.4393 -8.4372 4.0921 4.1487 5.8874 6.0547 6.1163 6.6202 6.7918 6.9504 7.1423 7.4252 7.6006 7.6823 8.1697 8.2846 9.5181 9.8143 10.6259 10.7018 13.4522 13.5722 14.0435 14.0481 14.1291 14.1627 14.3968 14.4271 k = 0.5417-0.0241 0.5443 ( 2749 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5962 -16.0962 -16.0933 -16.0922 -16.0911 -9.4752 -9.4737 -9.4726 -9.4709 -8.4461 -8.4458 -8.4433 -8.4403 -8.4393 -8.4373 4.0942 4.1518 5.8951 6.0481 6.1177 6.6270 6.8035 6.9420 7.1350 7.4245 7.6120 7.6782 8.1824 8.2925 9.4968 9.8073 10.5957 10.6672 13.4959 13.6103 14.0217 14.0324 14.1086 14.1388 14.3924 14.4224 k = 0.5347-0.0200 0.5557 ( 2749 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0962 -16.0932 -16.0922 -16.0912 -9.4753 -9.4736 -9.4726 -9.4709 -8.4461 -8.4459 -8.4432 -8.4401 -8.4393 -8.4373 4.0961 4.1547 5.9026 6.0416 6.1192 6.6341 6.8149 6.9331 7.1289 7.4232 7.6219 7.6746 8.1948 8.2994 9.4756 9.7996 10.5701 10.6369 13.5377 13.6461 14.0004 14.0200 14.0897 14.1152 14.3882 14.4180 k = 0.5278-0.0160 0.5670 ( 2747 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0930 -16.0923 -16.0913 -9.4753 -9.4736 -9.4726 -9.4709 -8.4461 -8.4459 -8.4431 -8.4400 -8.4394 -8.4374 4.0980 4.1574 5.9097 6.0355 6.1208 6.6412 6.8254 6.9245 7.1238 7.4215 7.6299 7.6717 8.2063 8.3050 9.4556 9.7915 10.5496 10.6119 13.5762 13.6784 13.9802 14.0116 14.0731 14.0924 14.3843 14.4140 k = 0.5208-0.0120 0.5784 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0929 -16.0923 -16.0914 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4430 -8.4399 -8.4394 -8.4375 4.0996 4.1597 5.9159 6.0301 6.1222 6.6479 6.8343 6.9170 7.1197 7.4198 7.6356 7.6697 8.2164 8.3090 9.4380 9.7839 10.5339 10.5923 13.6096 13.7059 13.9621 14.0078 14.0590 14.0711 14.3808 14.4105 k = 0.5139-0.0080 0.5897 ( 2737 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0928 -16.0923 -16.0914 -9.4753 -9.4735 -9.4726 -9.4708 -8.4461 -8.4459 -8.4430 -8.4398 -8.4394 -8.4375 4.1008 4.1614 5.9209 6.0258 6.1234 6.6535 6.8408 6.9114 7.1167 7.4182 7.6391 7.6688 8.2244 8.3114 9.4240 9.7773 10.5231 10.5786 13.6357 13.7269 13.9475 14.0089 14.0478 14.0525 14.3779 14.4076 k = 0.5069-0.0040 0.6010 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0924 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4394 -8.4375 4.1016 4.1626 5.9241 6.0231 6.1243 6.6575 6.8445 6.9082 7.1147 7.4171 7.6406 7.6688 8.2296 8.3125 9.4150 9.7728 10.5168 10.5705 13.6522 13.7402 13.9380 14.0139 14.0380 14.0398 14.3759 14.4057 k = 0.5000-0.0000 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0925 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4395 -8.4375 4.1019 4.1630 5.9252 6.0222 6.1246 6.6590 6.8455 6.9073 7.1140 7.4167 7.6409 7.6689 8.2315 8.3127 9.4118 9.7711 10.5148 10.5679 13.6578 13.7447 13.9348 14.0178 14.0331 14.0351 14.3751 14.4050 k = 0.5000-0.0000 0.6124 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0927 -16.0925 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4395 -8.4375 4.1019 4.1630 5.9252 6.0222 6.1246 6.6590 6.8455 6.9073 7.1140 7.4167 7.6409 7.6689 8.2315 8.3127 9.4118 9.7711 10.5148 10.5679 13.6578 13.7447 13.9348 14.0178 14.0331 14.0351 14.3751 14.4050 k = 0.5000 0.0082 0.6007 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0928 -16.0924 -16.0915 -9.4753 -9.4735 -9.4726 -9.4709 -8.4461 -8.4459 -8.4429 -8.4398 -8.4394 -8.4375 4.1013 4.1623 5.9250 6.0214 6.1248 6.6573 6.8442 6.9078 7.1146 7.4171 7.6403 7.6680 8.2301 8.3149 9.4131 9.7702 10.5181 10.5724 13.6576 13.7454 13.9332 14.0113 14.0352 14.0449 14.3766 14.4064 k = 0.5000 0.0165 0.5890 ( 2736 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0929 -16.0923 -16.0915 -9.4753 -9.4735 -9.4725 -9.4708 -8.4461 -8.4459 -8.4429 -8.4398 -8.4394 -8.4375 4.0995 4.1601 5.9246 6.0191 6.1255 6.6520 6.8406 6.9092 7.1159 7.4182 7.6383 7.6659 8.2263 8.3207 9.4171 9.7679 10.5277 10.5857 13.6573 13.7472 13.9286 14.0009 14.0449 14.0611 14.3809 14.4107 k = 0.5000 0.0247 0.5774 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0930 -16.0921 -16.0914 -9.4753 -9.4735 -9.4725 -9.4709 -8.4461 -8.4459 -8.4429 -8.4399 -8.4394 -8.4375 4.0965 4.1566 5.9237 6.0154 6.1265 6.6433 6.8356 6.9112 7.1175 7.4202 7.6344 7.6633 8.2209 8.3287 9.4243 9.7650 10.5434 10.6069 13.6571 13.7502 13.9223 13.9908 14.0600 14.0802 14.3880 14.4176 k = 0.5000 0.0330 0.5657 ( 2742 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0931 -16.0920 -16.0914 -9.4752 -9.4736 -9.4725 -9.4709 -8.4460 -8.4458 -8.4430 -8.4400 -8.4393 -8.4376 4.0923 4.1516 5.9225 6.0105 6.1280 6.6311 6.8303 6.9138 7.1185 7.4228 7.6280 7.6611 8.2143 8.3372 9.4353 9.7629 10.5649 10.6350 13.6575 13.7545 13.9149 13.9813 14.0794 14.1015 14.3980 14.4272 k = 0.5000 0.0412 0.5541 ( 2746 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0933 -16.0919 -16.0913 -9.4752 -9.4736 -9.4724 -9.4709 -8.4460 -8.4458 -8.4430 -8.4400 -8.4393 -8.4376 4.0870 4.1453 5.9210 6.0044 6.1298 6.6158 6.8254 6.9168 7.1181 7.4258 7.6195 7.6598 8.2066 8.3446 9.4511 9.7629 10.5916 10.6687 13.6590 13.7601 13.9072 13.9721 14.1018 14.1244 14.4108 14.4395 k = 0.5000 0.0495 0.5424 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0934 -16.0917 -16.0913 -9.4751 -9.4736 -9.4723 -9.4709 -8.4459 -8.4457 -8.4430 -8.4401 -8.4392 -8.4376 4.0805 4.1377 5.9191 5.9974 6.1320 6.5977 6.8214 6.9203 7.1160 7.4288 7.6097 7.6591 8.1975 8.3499 9.4724 9.7667 10.6227 10.7067 13.6619 13.7671 13.8997 13.9633 14.1261 14.1484 14.4268 14.4546 k = 0.5000 0.0577 0.5307 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0961 -16.0936 -16.0916 -16.0912 -9.4751 -9.4736 -9.4723 -9.4709 -8.4458 -8.4456 -8.4430 -8.4402 -8.4391 -8.4376 4.0730 4.1289 5.9168 5.9898 6.1345 6.5776 6.8182 6.9241 7.1119 7.4309 7.5998 7.6588 8.1864 8.3520 9.4999 9.7756 10.6576 10.7481 13.6666 13.7753 13.8928 13.9547 14.1510 14.1724 14.4463 14.4733 k = 0.5000 0.0660 0.5191 ( 2740 PWs) bands (ev): -37.6149 -37.6147 -16.5987 -16.5961 -16.0962 -16.0937 -16.0914 -16.0911 -9.4750 -9.4736 -9.4722 -9.4709 -8.4457 -8.4454 -8.4430 -8.4403 -8.4390 -8.4376 4.0645 4.1188 5.9141 5.9815 6.1375 6.5562 6.8159 6.9283 7.1058 7.4310 7.5913 7.6586 8.1730 8.3502 9.5342 9.7907 10.6956 10.7917 13.6732 13.7848 13.8869 13.9465 14.1750 14.1954 14.4696 14.4966 k = 0.5000 0.0742 0.5074 ( 2736 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0962 -16.0938 -16.0913 -16.0910 -9.4749 -9.4736 -9.4721 -9.4709 -8.4456 -8.4453 -8.4430 -8.4404 -8.4390 -8.4375 4.0551 4.1077 5.9111 5.9730 6.1409 6.5340 6.8142 6.9330 7.0978 7.4282 7.5852 7.6585 8.1569 8.3441 9.5754 9.8129 10.7359 10.8366 13.6819 13.7950 13.8827 13.9387 14.1965 14.2165 14.4976 14.5257 k = 0.5000 0.0825 0.4957 ( 2734 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0962 -16.0940 -16.0911 -16.0908 -9.4748 -9.4736 -9.4720 -9.4709 -8.4455 -8.4452 -8.4430 -8.4405 -8.4389 -8.4375 4.0447 4.0955 5.9077 5.9642 6.1448 6.5116 6.8128 6.9380 7.0882 7.4216 7.5823 7.6583 8.1381 8.3337 9.6237 9.8427 10.7779 10.8822 13.6926 13.8053 13.8811 13.9315 14.2145 14.2347 14.5306 14.5616 k = 0.5000 0.0907 0.4841 ( 2738 PWs) bands (ev): -37.6149 -37.6147 -16.5986 -16.5961 -16.0963 -16.0941 -16.0910 -16.0907 -9.4747 -9.4736 -9.4720 -9.4709 -8.4454 -8.4451 -8.4431 -8.4406 -8.4388 -8.4376 4.0336 4.0824 5.9040 5.9553 6.1492 6.4896 6.8117 6.9435 7.0774 7.4111 7.5827 7.6580 8.1164 8.3191 9.6787 9.8802 10.8209 10.9277 13.7052 13.8146 13.8835 13.9248 14.2285 14.2493 14.5695 14.6048 k = 0.5000 0.0990 0.4724 ( 2734 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5961 -16.0963 -16.0943 -16.0908 -16.0906 -9.4746 -9.4736 -9.4719 -9.4709 -8.4453 -8.4449 -8.4431 -8.4407 -8.4387 -8.4375 4.0217 4.0685 5.9002 5.9466 6.1541 6.4683 6.8106 6.9492 7.0657 7.3972 7.5859 7.6574 8.0923 8.3005 9.7401 9.9253 10.8646 10.9727 13.7194 13.8218 13.8909 13.9189 14.2387 14.2601 14.6145 14.6549 k = 0.5000 0.1072 0.4607 ( 2734 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5961 -16.0963 -16.0944 -16.0906 -16.0905 -9.4745 -9.4735 -9.4718 -9.4709 -8.4452 -8.4448 -8.4431 -8.4408 -8.4386 -8.4375 4.0092 4.0538 5.8961 5.9379 6.1596 6.4479 6.8094 6.9550 7.0534 7.3807 7.5911 7.6566 8.0658 8.2785 9.8073 9.9776 10.9083 11.0167 13.7346 13.8273 13.9029 13.9141 14.2455 14.2672 14.6655 14.7117 k = 0.5000 0.1155 0.4491 ( 2736 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5962 -16.0964 -16.0946 -16.0905 -16.0903 -9.4744 -9.4735 -9.4717 -9.4709 -8.4451 -8.4447 -8.4431 -8.4409 -8.4385 -8.4375 3.9962 4.0386 5.8920 5.9295 6.1657 6.4288 6.8080 6.9610 7.0408 7.3621 7.5975 7.6556 8.0376 8.2537 9.8799 10.0366 10.9516 11.0592 13.7500 13.8325 13.9090 13.9204 14.2494 14.2710 14.7220 14.7746 k = 0.5000 0.1237 0.4374 ( 2746 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5962 -16.0964 -16.0948 -16.0904 -16.0902 -9.4743 -9.4735 -9.4717 -9.4709 -8.4450 -8.4446 -8.4431 -8.4410 -8.4384 -8.4375 3.9828 4.0229 5.8878 5.9214 6.1724 6.4110 6.8063 6.9666 7.0285 7.3421 7.6045 7.6543 8.0080 8.2267 9.9570 10.1016 10.9942 11.1001 13.7645 13.8390 13.9068 13.9389 14.2510 14.2722 14.7834 14.8427 k = 0.5000 0.1320 0.4257 ( 2742 PWs) bands (ev): -37.6149 -37.6148 -16.5984 -16.5962 -16.0965 -16.0949 -16.0902 -16.0901 -9.4742 -9.4735 -9.4716 -9.4709 -8.4449 -8.4444 -8.4431 -8.4411 -8.4383 -8.4375 3.9691 4.0069 5.8837 5.9136 6.1797 6.3947 6.8043 6.9715 7.0170 7.3211 7.6115 7.6528 7.9777 8.1980 10.0383 10.1719 11.0357 11.1392 13.7769 13.8479 13.9063 13.9593 14.2508 14.2713 14.8488 14.9097 k = 0.5000 0.1402 0.4141 ( 2750 PWs) bands (ev): -37.6150 -37.6148 -16.5984 -16.5963 -16.0965 -16.0951 -16.0900 -16.0899 -9.4741 -9.4734 -9.4716 -9.4710 -8.4448 -8.4444 -8.4431 -8.4412 -8.4382 -8.4375 3.9552 3.9906 5.8798 5.9063 6.1876 6.3799 6.8018 6.9741 7.0080 7.2994 7.6181 7.6513 7.9470 8.1683 10.1228 10.2467 11.0761 11.1761 13.7867 13.8588 13.9089 13.9804 14.2491 14.2688 14.9158 14.9516 k = 0.5000 0.1485 0.4024 ( 2750 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0952 -16.0899 -16.0898 -9.4740 -9.4734 -9.4716 -9.4710 -8.4448 -8.4443 -8.4430 -8.4413 -8.4381 -8.4375 3.9412 3.9743 5.8761 5.8993 6.1960 6.3666 6.7989 6.9720 7.0039 7.2772 7.6237 7.6498 7.9167 8.1381 10.2102 10.3251 11.1149 11.2110 13.7945 13.8691 13.9168 14.0018 14.2462 14.2651 14.9717 14.9920 k = 0.5000 0.1567 0.3908 ( 2742 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0953 -16.0897 -16.0896 -9.4738 -9.4733 -9.4715 -9.4710 -8.4447 -8.4442 -8.4430 -8.4414 -8.4380 -8.4374 3.9273 3.9581 5.8726 5.8928 6.2050 6.3550 6.7956 6.9648 7.0052 7.2547 7.6277 7.6489 7.8872 8.1079 10.2996 10.4064 11.1522 11.2437 13.8014 13.8766 13.9309 14.0229 14.2426 14.2606 15.0010 15.0303 k = 0.5000 0.1650 0.3791 ( 2750 PWs) bands (ev): -37.6150 -37.6148 -16.5982 -16.5963 -16.0966 -16.0955 -16.0896 -16.0895 -9.4737 -9.4732 -9.4715 -9.4710 -8.4446 -8.4441 -8.4429 -8.4415 -8.4379 -8.4374 3.9135 3.9420 5.8694 5.8868 6.2144 6.3448 6.7919 6.9552 7.0091 7.2320 7.6292 7.6491 7.8591 8.0781 10.3905 10.4896 11.1879 11.2742 13.8080 13.8817 13.9499 14.0432 14.2383 14.2556 15.0173 15.0484 k = 0.5000 0.1732 0.3674 ( 2752 PWs) bands (ev): -37.6150 -37.6149 -16.5982 -16.5964 -16.0967 -16.0956 -16.0894 -16.0894 -9.4736 -9.4732 -9.4714 -9.4711 -8.4446 -8.4441 -8.4429 -8.4416 -8.4377 -8.4373 3.9000 3.9263 5.8666 5.8813 6.2242 6.3362 6.7877 6.9450 7.0137 7.2093 7.6282 7.6500 7.8331 8.0491 10.4819 10.5740 11.2219 11.3027 13.8152 13.8860 13.9712 14.0623 14.2336 14.2505 15.0205 15.0494 k = 0.5000 0.1815 0.3558 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5964 -16.0967 -16.0957 -16.0893 -16.0892 -9.4734 -9.4731 -9.4714 -9.4711 -8.4445 -8.4440 -8.4428 -8.4417 -8.4376 -8.4373 3.8869 3.9111 5.8640 5.8762 6.2344 6.3291 6.7833 6.9349 7.0184 7.1868 7.6254 7.6504 7.8100 8.0213 10.5734 10.6585 11.2544 11.3292 13.8232 13.8906 13.9933 14.0799 14.2287 14.2455 15.0079 15.0328 k = 0.5000 0.1897 0.3441 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5965 -16.0968 -16.0958 -16.0891 -16.0891 -9.4733 -9.4730 -9.4714 -9.4711 -8.4445 -8.4440 -8.4427 -8.4418 -8.4375 -8.4372 3.8744 3.8964 5.8617 5.8717 6.2447 6.3235 6.7787 6.9251 7.0227 7.1647 7.6215 7.6492 7.7907 7.9947 10.6638 10.7422 11.2855 11.3539 13.8324 13.8960 14.0152 14.0957 14.2239 14.2409 14.9781 14.9982 k = 0.5000 0.1979 0.3324 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5980 -16.5965 -16.0968 -16.0960 -16.0890 -16.0890 -9.4732 -9.4729 -9.4714 -9.4712 -8.4445 -8.4440 -8.4427 -8.4419 -8.4374 -8.4371 3.8624 3.8823 5.8596 5.8677 6.2551 6.3191 6.7740 6.9154 7.0265 7.1433 7.6170 7.6454 7.7759 7.9697 10.7524 10.8239 11.3153 11.3769 13.8431 13.9026 14.0362 14.1092 14.2194 14.2372 14.9322 14.9475 k = 0.5000 0.2062 0.3208 ( 2746 PWs) bands (ev): -37.6150 -37.6149 -16.5979 -16.5965 -16.0968 -16.0961 -16.0889 -16.0889 -9.4730 -9.4728 -9.4714 -9.4712 -8.4444 -8.4440 -8.4426 -8.4419 -8.4372 -8.4371 3.8512 3.8691 5.8579 5.8641 6.2653 6.3161 6.7694 6.9059 7.0297 7.1230 7.6119 7.6389 7.7659 7.9464 10.8380 10.9024 11.3443 11.3987 13.8553 13.9106 14.0557 14.1202 14.2153 14.2346 14.8731 14.8844 k = 0.5000 0.2144 0.3091 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5979 -16.5966 -16.0969 -16.0962 -16.0888 -16.0888 -9.4729 -9.4727 -9.4714 -9.4712 -8.4444 -8.4440 -8.4425 -8.4420 -8.4371 -8.4370 3.8409 3.8567 5.8563 5.8610 6.2753 6.3143 6.7653 6.8962 7.0321 7.1040 7.6066 7.6300 7.7604 7.9248 10.9194 10.9764 11.3727 11.4195 13.8694 13.9204 14.0731 14.1285 14.2122 14.2332 14.8044 14.8128 k = 0.5000 0.2227 0.2974 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5978 -16.5967 -16.0969 -16.0963 -16.0887 -16.0887 -9.4728 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4425 -8.4420 -8.4370 -8.4369 3.8314 3.8454 5.8549 5.8583 6.2849 6.3135 6.7619 6.8862 7.0338 7.0868 7.6011 7.6199 7.7585 7.9049 10.9953 11.0444 11.4010 11.4398 13.8857 13.9322 14.0880 14.1341 14.2103 14.2329 14.7297 14.7363 k = 0.5000 0.2309 0.2858 ( 2752 PWs) bands (ev): -37.6150 -37.6149 -16.5977 -16.5967 -16.0969 -16.0964 -16.0886 -16.0886 -9.4727 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4424 -8.4421 -8.4370 -8.4369 3.8229 3.8350 5.8538 5.8561 6.2937 6.3137 6.7595 6.8755 7.0348 7.0718 7.5956 7.6095 7.7593 7.8868 11.0643 11.1050 11.4295 11.4599 13.9043 13.9464 14.1001 14.1374 14.2100 14.2332 14.6523 14.6581 k = 0.5000 0.2392 0.2741 ( 2756 PWs) bands (ev): -37.6150 -37.6150 -16.5977 -16.5968 -16.0969 -16.0965 -16.0885 -16.0885 -9.4726 -9.4725 -9.4715 -9.4714 -8.4444 -8.4440 -8.4424 -8.4421 -8.4369 -8.4368 3.8155 3.8258 5.8527 5.8542 6.3016 6.3146 6.7584 6.8641 7.0350 7.0591 7.5903 7.5997 7.7619 7.8703 11.1248 11.1570 11.4581 11.4802 13.9256 13.9634 14.1091 14.1387 14.2113 14.2335 14.5749 14.5805 k = 0.5000 0.2474 0.2624 ( 2756 PWs) bands (ev): -37.6150 -37.6150 -16.5976 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4725 -9.4724 -9.4715 -9.4714 -8.4444 -8.4441 -8.4424 -8.4421 -8.4368 -8.4368 3.8093 3.8178 5.8519 5.8528 6.3085 6.3160 6.7588 6.8519 7.0347 7.0490 7.5853 7.5910 7.7659 7.8553 11.1757 11.1996 11.4865 11.5008 13.9499 13.9836 14.1155 14.1386 14.2137 14.2328 14.4999 14.5058 k = 0.5000 0.2557 0.2508 ( 2756 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4724 -9.4723 -9.4715 -9.4715 -8.4444 -8.4441 -8.4423 -8.4421 -8.4368 -8.4367 3.8043 3.8110 5.8511 5.8516 6.3141 6.3178 6.7611 6.8390 7.0338 7.0414 7.5808 7.5839 7.7710 7.8418 11.2162 11.2328 11.5132 11.5212 13.9775 14.0075 14.1196 14.1378 14.2159 14.2298 14.4297 14.4364 k = 0.5000 0.2639 0.2391 ( 2762 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5970 -16.0969 -16.0967 -16.0883 -16.0883 -9.4723 -9.4723 -9.4716 -9.4716 -8.4444 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.8005 3.8055 5.8506 5.8507 6.3183 6.3197 6.7653 6.8260 7.0328 7.0360 7.5770 7.5783 7.7769 7.8295 11.2465 11.2573 11.5365 11.5401 14.0086 14.0354 14.1221 14.1367 14.2152 14.2221 14.3677 14.3760 k = 0.5000 0.2722 0.2275 ( 2768 PWs) bands (ev): -37.6150 -37.6150 -16.5974 -16.5971 -16.0969 -16.0968 -16.0883 -16.0883 -9.4723 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7980 3.8013 5.8501 5.8502 6.3212 6.3214 6.7715 6.8130 7.0316 7.0327 7.5741 7.5745 7.7836 7.8184 11.2674 11.2737 11.5546 11.5557 14.0429 14.0674 14.1233 14.1361 14.2034 14.2082 14.3200 14.3298 k = 0.5000 0.2804 0.2158 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5973 -16.5972 -16.0969 -16.0968 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7968 3.7985 5.8498 5.8498 6.3227 6.3228 6.7796 6.8007 7.0307 7.0309 7.5722 7.5722 7.7910 7.8084 11.2799 11.2828 11.5660 11.5661 14.0786 14.1014 14.1241 14.1376 14.1761 14.1832 14.2953 14.3025 k = 0.5000 0.2887 0.2041 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0969 -16.0969 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4443 -8.4422 -8.4422 -8.4367 -8.4367 3.7970 3.7970 5.8497 5.8497 6.3232 6.3232 6.7894 6.7894 7.0304 7.0304 7.5715 7.5715 7.7993 7.7993 11.2848 11.2848 11.5698 11.5698 14.1068 14.1068 14.1455 14.1455 14.1500 14.1500 14.2916 14.2916 k = 0.5000 0.2887 0.2041 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5972 -16.5972 -16.0969 -16.0969 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4443 -8.4422 -8.4422 -8.4367 -8.4367 3.7970 3.7970 5.8497 5.8497 6.3232 6.3232 6.7894 6.7894 7.0304 7.0304 7.5715 7.5715 7.7993 7.7993 11.2848 11.2848 11.5698 11.5698 14.1068 14.1068 14.1455 14.1455 14.1500 14.1500 14.2916 14.2916 k = 0.4958 0.2863 0.2177 ( 2764 PWs) bands (ev): -37.6150 -37.6150 -16.5973 -16.5972 -16.0969 -16.0968 -16.0883 -16.0883 -9.4722 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7968 3.7985 5.8498 5.8499 6.3227 6.3228 6.7795 6.8008 7.0308 7.0309 7.5722 7.5722 7.7910 7.8085 11.2798 11.2827 11.5659 11.5660 14.0782 14.1011 14.1242 14.1375 14.1765 14.1834 14.2954 14.3027 k = 0.4917 0.2839 0.2313 ( 2768 PWs) bands (ev): -37.6150 -37.6150 -16.5974 -16.5971 -16.0969 -16.0968 -16.0883 -16.0883 -9.4723 -9.4722 -9.4717 -9.4717 -8.4443 -8.4442 -8.4423 -8.4422 -8.4367 -8.4367 3.7980 3.8014 5.8501 5.8502 6.3212 6.3214 6.7713 6.8133 7.0318 7.0325 7.5742 7.5744 7.7834 7.8187 11.2671 11.2734 11.5545 11.5552 14.0421 14.0666 14.1240 14.1354 14.2046 14.2078 14.3208 14.3306 k = 0.4875 0.2815 0.2449 ( 2766 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5970 -16.0969 -16.0967 -16.0884 -16.0884 -9.4724 -9.4723 -9.4716 -9.4716 -8.4444 -8.4442 -8.4423 -8.4422 -8.4368 -8.4367 3.8006 3.8057 5.8504 5.8509 6.3182 6.3196 6.7651 6.8264 7.0335 7.0355 7.5775 7.5781 7.7767 7.8299 11.2458 11.2565 11.5367 11.5387 14.0074 14.0343 14.1241 14.1354 14.2157 14.2216 14.3696 14.3776 k = 0.4833 0.2791 0.2586 ( 2760 PWs) bands (ev): -37.6150 -37.6150 -16.5975 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4724 -9.4723 -9.4716 -9.4715 -8.4444 -8.4441 -8.4423 -8.4422 -8.4368 -8.4368 3.8044 3.8113 5.8509 5.8519 6.3139 6.3177 6.7610 6.8396 7.0356 7.0399 7.5819 7.5832 7.7707 7.8423 11.2150 11.2311 11.5142 11.5186 13.9756 14.0060 14.1239 14.1359 14.2147 14.2295 14.4329 14.4390 k = 0.4792 0.2766 0.2722 ( 2758 PWs) bands (ev): -37.6150 -37.6150 -16.5976 -16.5969 -16.0969 -16.0966 -16.0884 -16.0884 -9.4725 -9.4724 -9.4715 -9.4715 -8.4444 -8.4441 -8.4424 -8.4421 -8.4368 -8.4368 3.8096 3.8182 5.8514 5.8534 6.3082 6.3159 6.7587 6.8525 7.0382 7.0460 7.5873 7.5898 7.7657 7.8561 11.1738 11.1964 11.4889 11.4967 13.9469 13.9816 14.1237 14.1366 14.2099 14.2323 14.5042 14.5094 k = 0.4750 0.2742 0.2858 ( 2756 PWs) bands (ev): -37.6150 -37.6150 -16.5977 -16.5968 -16.0969 -16.0965 -16.0885 -16.0885 -9.4726 -9.4725 -9.4715 -9.4714 -8.4444 -8.4440 -8.4424 -8.4421 -8.4369 -8.4368 3.8160 3.8263 5.8519 5.8553 6.3013 6.3144 6.7583 6.8646 7.0411 7.0539 7.5935 7.5975 7.7617 7.8713 11.1219 11.1518 11.4627 11.4746 13.9206 13.9605 14.1235 14.1374 14.2035 14.2321 14.5803 14.5852 k = 0.4708 0.2718 0.2994 ( 2750 PWs) bands (ev): -37.6150 -37.6149 -16.5977 -16.5967 -16.0969 -16.0964 -16.0886 -16.0886 -9.4727 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4424 -8.4421 -8.4370 -8.4369 3.8235 3.8357 5.8524 5.8577 6.2933 6.3134 6.7594 6.8758 7.0443 7.0635 7.6004 7.6063 7.7590 7.8881 11.0599 11.0974 11.4368 11.4530 13.8962 13.9420 14.1235 14.1382 14.1965 14.2301 14.6588 14.6638 k = 0.4667 0.2694 0.3130 ( 2744 PWs) bands (ev): -37.6150 -37.6149 -16.5978 -16.5966 -16.0969 -16.0963 -16.0887 -16.0886 -9.4728 -9.4726 -9.4714 -9.4713 -8.4444 -8.4440 -8.4425 -8.4420 -8.4371 -8.4369 3.8321 3.8462 5.8528 5.8608 6.2844 6.3133 6.7617 6.8860 7.0480 7.0747 7.6077 7.6155 7.7583 7.9066 10.9889 11.0340 11.4119 11.4322 13.8729 13.9255 14.1236 14.1386 14.1896 14.2269 14.7372 14.7430 k = 0.4625 0.2670 0.3266 ( 2741 PWs) bands (ev): -37.6150 -37.6149 -16.5978 -16.5966 -16.0968 -16.0961 -16.0888 -16.0887 -9.4729 -9.4727 -9.4713 -9.4712 -8.4444 -8.4439 -8.4425 -8.4420 -8.4372 -8.4369 3.8418 3.8578 5.8533 5.8644 6.2749 6.3141 6.7649 6.8951 7.0521 7.0870 7.6154 7.6244 7.7601 7.9268 10.9102 10.9629 11.3878 11.4121 13.8500 13.9101 14.1240 14.1387 14.1834 14.2229 14.8126 14.8200 k = 0.4583 0.2646 0.3402 ( 2740 PWs) bands (ev): -37.6150 -37.6149 -16.5979 -16.5965 -16.0968 -16.0960 -16.0889 -16.0888 -9.4730 -9.4728 -9.4713 -9.4712 -8.4444 -8.4439 -8.4426 -8.4419 -8.4373 -8.4370 3.8524 3.8704 5.8537 5.8688 6.2649 6.3160 6.7686 6.9033 7.0567 7.1003 7.6232 7.6320 7.7654 7.9488 10.8255 10.8855 11.3644 11.3922 13.8267 13.8951 14.1247 14.1382 14.1786 14.2186 14.8812 14.8917 k = 0.4542 0.2622 0.3538 ( 2742 PWs) bands (ev): -37.6150 -37.6149 -16.5980 -16.5965 -16.0968 -16.0959 -16.0890 -16.0889 -9.4731 -9.4729 -9.4713 -9.4712 -8.4444 -8.4440 -8.4426 -8.4419 -8.4374 -8.4370 3.8638 3.8838 5.8540 5.8740 6.2546 6.3191 6.7725 6.9109 7.0619 7.1140 7.6310 7.6374 7.7751 7.9725 10.7361 10.8034 11.3413 11.3725 13.8024 13.8798 14.1256 14.1371 14.1755 14.2143 14.9384 14.9537 k = 0.4500 0.2598 0.3674 ( 2748 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5965 -16.0968 -16.0958 -16.0892 -16.0891 -9.4733 -9.4730 -9.4713 -9.4712 -8.4445 -8.4440 -8.4427 -8.4418 -8.4376 -8.4371 3.8759 3.8980 5.8543 5.8800 6.2442 6.3236 6.7762 6.9179 7.0679 7.1277 7.6387 7.6401 7.7896 7.9978 10.6433 10.7178 11.3184 11.3527 13.7766 13.8635 14.1268 14.1356 14.1742 14.2104 14.9789 15.0006 k = 0.4458 0.2574 0.3810 ( 2746 PWs) bands (ev): -37.6150 -37.6149 -16.5981 -16.5964 -16.0967 -16.0957 -16.0894 -16.0892 -9.4734 -9.4731 -9.4713 -9.4711 -8.4445 -8.4440 -8.4428 -8.4418 -8.4378 -8.4371 3.8887 3.9129 5.8545 5.8868 6.2339 6.3296 6.7795 6.9247 7.0747 7.1412 7.6400 7.6462 7.8085 8.0245 10.5483 10.6302 11.2956 11.3328 13.7488 13.8455 14.1285 14.1344 14.1746 14.2073 14.9987 15.0270 k = 0.4417 0.2550 0.3946 ( 2746 PWs) bands (ev): -37.6150 -37.6149 -16.5982 -16.5964 -16.0967 -16.0956 -16.0895 -16.0893 -9.4735 -9.4732 -9.4713 -9.4711 -8.4445 -8.4441 -8.4429 -8.4417 -8.4379 -8.4371 3.9020 3.9283 5.8547 5.8946 6.2238 6.3370 6.7821 6.9313 7.0823 7.1543 7.6375 7.6534 7.8314 8.0524 10.4523 10.5414 11.2727 11.3127 13.7187 13.8253 14.1306 14.1340 14.1763 14.2054 14.9976 15.0299 k = 0.4375 0.2526 0.4082 ( 2746 PWs) bands (ev): -37.6150 -37.6148 -16.5982 -16.5963 -16.0967 -16.0954 -16.0897 -16.0894 -9.4736 -9.4733 -9.4714 -9.4711 -8.4445 -8.4441 -8.4429 -8.4416 -8.4381 -8.4371 3.9156 3.9441 5.8548 5.9033 6.2140 6.3460 6.7839 6.9379 7.0910 7.1668 7.6330 7.6603 7.8572 8.0812 10.3562 10.4527 11.2497 11.2924 13.6863 13.8024 14.1332 14.1348 14.1789 14.2048 14.9794 15.0116 k = 0.4333 0.2502 0.4219 ( 2749 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0953 -16.0899 -16.0895 -9.4737 -9.4735 -9.4714 -9.4711 -8.4446 -8.4442 -8.4431 -8.4416 -8.4383 -8.4371 3.9295 3.9601 5.8548 5.9130 6.2045 6.3567 6.7847 6.9444 7.1006 7.1787 7.6269 7.6668 7.8852 8.1103 10.2611 10.3652 11.2268 11.2720 13.6517 13.7768 14.1363 14.1371 14.1823 14.2058 14.9500 14.9783 k = 0.4292 0.2478 0.4355 ( 2745 PWs) bands (ev): -37.6150 -37.6148 -16.5983 -16.5963 -16.0966 -16.0951 -16.0900 -16.0896 -9.4738 -9.4735 -9.4714 -9.4711 -8.4446 -8.4442 -8.4431 -8.4415 -8.4384 -8.4371 3.9436 3.9763 5.8548 5.9236 6.1954 6.3689 6.7844 6.9510 7.1113 7.1899 7.6196 7.6729 7.9145 8.1392 10.1681 10.2797 11.2039 11.2515 13.6150 13.7482 14.1401 14.1409 14.1863 14.2085 14.9144 14.9366 k = 0.4250 0.2454 0.4491 ( 2746 PWs) bands (ev): -37.6150 -37.6148 -16.5984 -16.5963 -16.0965 -16.0950 -16.0902 -16.0897 -9.4739 -9.4737 -9.4715 -9.4711 -8.4447 -8.4443 -8.4432 -8.4414 -8.4386 -8.4371 3.9577 3.9925 5.8546 5.9352 6.1866 6.3828 6.7831 6.9575 7.1230 7.2005 7.6113 7.6785 7.9444 8.1674 10.0782 10.1976 11.1811 11.2310 13.5766 13.7168 14.1445 14.1462 14.1909 14.2128 14.8762 14.8914 k = 0.4208 0.2430 0.4627 ( 2744 PWs) bands (ev): -37.6149 -37.6148 -16.5984 -16.5962 -16.0965 -16.0949 -16.0904 -16.0898 -9.4740 -9.4737 -9.4715 -9.4711 -8.4447 -8.4444 -8.4433 -8.4413 -8.4387 -8.4370 3.9716 4.0084 5.8543 5.9477 6.1784 6.3982 6.7807 6.9640 7.1357 7.2106 7.6020 7.6838 7.9739 8.1942 9.9926 10.1197 11.1587 11.2106 13.5368 13.6829 14.1496 14.1530 14.1960 14.2186 14.8379 14.8458 k = 0.4167 0.2406 0.4763 ( 2736 PWs) bands (ev): -37.6149 -37.6148 -16.5984 -16.5962 -16.0965 -16.0947 -16.0906 -16.0899 -9.4740 -9.4738 -9.4716 -9.4710 -8.4447 -8.4445 -8.4434 -8.4412 -8.4388 -8.4369 3.9852 4.0240 5.8539 5.9612 6.1705 6.4151 6.7772 6.9702 7.1492 7.2203 7.5919 7.6886 8.0022 8.2186 9.9124 10.0475 11.1366 11.1905 13.4960 13.6469 14.1552 14.1610 14.2016 14.2259 14.8008 14.8018 k = 0.4125 0.2382 0.4899 ( 2739 PWs) bands (ev): -37.6149 -37.6148 -16.5985 -16.5962 -16.0964 -16.0946 -16.0908 -16.0900 -9.4741 -9.4739 -9.4716 -9.4710 -8.4448 -8.4446 -8.4435 -8.4411 -8.4390 -8.4369 3.9985 4.0391 5.8533 5.9753 6.1630 6.4332 6.7729 6.9760 7.1636 7.2297 7.5812 7.6930 8.0284 8.2400 9.8389 9.9820 11.1150 11.1706 13.4546 13.6092 14.1615 14.1702 14.2076 14.2344 14.7603 14.7659 k = 0.4083 0.2358 0.5035 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0944 -16.0910 -16.0901 -9.4742 -9.4740 -9.4717 -9.4711 -8.4449 -8.4447 -8.4437 -8.4411 -8.4391 -8.4368 4.0112 4.0535 5.8525 5.9902 6.1560 6.4525 6.7676 6.9812 7.1788 7.2389 7.5700 7.6970 8.0517 8.2574 9.7734 9.9245 11.0941 11.1511 13.4132 13.5703 14.1682 14.1802 14.2139 14.2440 14.7220 14.7338 k = 0.4042 0.2333 0.5171 ( 2739 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0943 -16.0911 -16.0901 -9.4742 -9.4741 -9.4718 -9.4710 -8.4450 -8.4448 -8.4438 -8.4411 -8.4391 -8.4368 4.0232 4.0670 5.8515 6.0055 6.1493 6.4725 6.7617 6.9856 7.1947 7.2481 7.5585 7.7005 8.0713 8.2700 9.7170 9.8761 11.0739 11.1322 13.3721 13.5308 14.1753 14.1907 14.2207 14.2544 14.6872 14.7048 k = 0.4000 0.2309 0.5307 ( 2736 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0942 -16.0913 -16.0902 -9.4743 -9.4742 -9.4719 -9.4710 -8.4450 -8.4449 -8.4438 -8.4410 -8.4392 -8.4367 4.0345 4.0796 5.8503 6.0210 6.1429 6.4930 6.7552 6.9890 7.2111 7.2574 7.5471 7.7037 8.0864 8.2773 9.6709 9.8380 11.0547 11.1139 13.3316 13.4912 14.1826 14.2014 14.2277 14.2654 14.6558 14.6792 k = 0.3958 0.2285 0.5443 ( 2738 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0941 -16.0914 -16.0902 -9.4743 -9.4742 -9.4719 -9.4711 -8.4451 -8.4451 -8.4439 -8.4411 -8.4392 -8.4367 4.0448 4.0910 5.8488 6.0365 6.1369 6.5133 6.7483 6.9911 7.2280 7.2668 7.5360 7.7065 8.0967 8.2789 9.6360 9.8107 11.0365 11.0964 13.2922 13.4519 14.1900 14.2115 14.2352 14.2766 14.6276 14.6572 k = 0.3917 0.2261 0.5579 ( 2741 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0940 -16.0915 -16.0902 -9.4744 -9.4743 -9.4720 -9.4711 -8.4452 -8.4452 -8.4440 -8.4412 -8.4391 -8.4366 4.0540 4.1011 5.8471 6.0514 6.1313 6.5330 6.7412 6.9916 7.2452 7.2765 7.5260 7.7090 8.1020 8.2748 9.6129 9.7947 11.0194 11.0798 13.2541 13.4133 14.1972 14.2205 14.2432 14.2876 14.6018 14.6387 k = 0.3875 0.2237 0.5715 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0916 -16.0902 -9.4744 -9.4744 -9.4722 -9.4711 -8.4453 -8.4453 -8.4441 -8.4412 -8.4391 -8.4366 4.0620 4.1097 5.8452 6.0651 6.1262 6.5511 6.7341 6.9904 7.2626 7.2863 7.5175 7.7112 8.1026 8.2657 9.6016 9.7900 11.0037 11.0641 13.2175 13.3758 14.2038 14.2273 14.2518 14.2980 14.5759 14.6228 k = 0.3833 0.2213 0.5852 ( 2743 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4745 -9.4744 -9.4723 -9.4711 -8.4455 -8.4454 -8.4441 -8.4413 -8.4391 -8.4366 4.0687 4.1167 5.8430 6.0766 6.1223 6.5668 6.7273 6.9873 7.2800 7.2962 7.5115 7.7130 8.0994 8.2525 9.6020 9.7960 10.9893 11.0495 13.1827 13.3397 14.2091 14.2312 14.2604 14.3073 14.5464 14.5997 k = 0.3792 0.2189 0.5988 ( 2744 PWs) bands (ev): -37.6149 -37.6147 -16.5985 -16.5962 -16.0964 -16.0939 -16.0917 -16.0902 -9.4746 -9.4744 -9.4724 -9.4711 -8.4456 -8.4455 -8.4442 -8.4414 -8.4390 -8.4365 4.0739 4.1220 5.8405 6.0840 6.1206 6.5790 6.7212 6.9826 7.2972 7.3059 7.5088 7.7146 8.0934 8.2364 9.6133 9.8121 10.9764 11.0361 13.1499 13.3052 14.2122 14.2314 14.2686 14.3150 14.5136 14.5628 k = 0.3750 0.2165 0.6124 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.6250-0.0722 0.4082 ( 2726 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0964 -16.0938 -16.0916 -16.0901 -9.4746 -9.4743 -9.4724 -9.4710 -8.4457 -8.4456 -8.4441 -8.4414 -8.4388 -8.4364 4.0775 4.1253 5.8377 6.0857 6.1225 6.5864 6.7161 6.9766 7.3138 7.3152 7.5102 7.7159 8.0859 8.2191 9.6345 9.8371 10.9652 11.0241 13.1191 13.2725 14.2118 14.2270 14.2758 14.3207 14.4827 14.5300 k = 0.6181-0.0842 0.4082 ( 2746 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5962 -16.0965 -16.0939 -16.0916 -16.0902 -9.4748 -9.4744 -9.4726 -9.4711 -8.4460 -8.4458 -8.4442 -8.4416 -8.4387 -8.4365 4.0815 4.1285 5.8329 6.0784 6.1327 6.5930 6.7092 6.9642 7.3297 7.3408 7.5182 7.7176 8.0730 8.1904 9.6815 9.8888 10.9483 11.0055 13.0704 13.2200 14.2026 14.2100 14.2869 14.3281 14.4389 14.4874 k = 0.6111-0.0962 0.4082 ( 2746 PWs) bands (ev): -37.6149 -37.6147 -16.5984 -16.5963 -16.0965 -16.0940 -16.0915 -16.0901 -9.4749 -9.4744 -9.4728 -9.4711 -8.4462 -8.4461 -8.4442 -8.4417 -8.4386 -8.4364 4.0847 4.1305 5.8284 6.0653 6.1476 6.5974 6.7035 6.9490 7.3434 7.3673 7.5301 7.7191 8.0598 8.1622 9.7361 9.9464 10.9327 10.9883 13.0236 13.1688 14.1819 14.1828 14.2981 14.3354 14.4061 14.4563 k = 0.6042-0.1083 0.4082 ( 2744 PWs) bands (ev): -37.6148 -37.6147 -16.5983 -16.5963 -16.0965 -16.0941 -16.0914 -16.0900 -9.4750 -9.4743 -9.4729 -9.4711 -8.4464 -8.4462 -8.4442 -8.4418 -8.4384 -8.4364 4.0872 4.1315 5.8242 6.0498 6.1643 6.5998 6.6988 6.9315 7.3566 7.3931 7.5447 7.7201 8.0463 8.1345 9.7977 10.0093 10.9183 10.9723 12.9785 13.1189 14.1469 14.1497 14.3092 14.3425 14.3863 14.4362 k = 0.5972-0.1203 0.4082 ( 2742 PWs) bands (ev): -37.6148 -37.6147 -16.5983 -16.5963 -16.0965 -16.0942 -16.0912 -16.0899 -9.4751 -9.4743 -9.4730 -9.4712 -8.4466 -8.4464 -8.4442 -8.4419 -8.4383 -8.4364 4.0890 4.1316 5.8204 6.0330 6.1820 6.6006 6.6948 6.9119 7.3697 7.4181 7.5610 7.7205 8.0324 8.1078 9.8655 10.0766 10.9051 10.9575 12.9351 13.0700 14.1051 14.1093 14.3200 14.3495 14.3769 14.4242 k = 0.5903-0.1323 0.4082 ( 2742 PWs) bands (ev): -37.6148 -37.6147 -16.5982 -16.5963 -16.0965 -16.0944 -16.0911 -16.0899 -9.4752 -9.4744 -9.4731 -9.4712 -8.4469 -8.4467 -8.4442 -8.4420 -8.4381 -8.4364 4.0903 4.1310 5.8170 6.0155 6.2004 6.6001 6.6913 6.8909 7.3830 7.4421 7.5779 7.7201 8.0185 8.0820 9.9387 10.1477 10.8930 10.9441 12.8932 13.0222 14.0606 14.0648 14.3304 14.3563 14.3738 14.4175 k = 0.5833-0.1443 0.4082 ( 2750 PWs) bands (ev): -37.6148 -37.6147 -16.5981 -16.5964 -16.0965 -16.0945 -16.0910 -16.0898 -9.4753 -9.4744 -9.4732 -9.4713 -8.4471 -8.4469 -8.4442 -8.4421 -8.4380 -8.4364 4.0912 4.1297 5.8141 5.9979 6.2193 6.5984 6.6883 6.8689 7.3967 7.4650 7.5947 7.7187 8.0044 8.0577 10.0163 10.2215 10.8821 10.9319 12.8530 12.9753 14.0157 14.0194 14.3402 14.3630 14.3743 14.4141 k = 0.5764-0.1564 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5981 -16.5965 -16.0965 -16.0947 -16.0908 -16.0898 -9.4754 -9.4745 -9.4733 -9.4714 -8.4473 -8.4471 -8.4442 -8.4423 -8.4379 -8.4365 4.0918 4.1279 5.8118 5.9804 6.2388 6.5957 6.6855 6.8462 7.4108 7.4868 7.6107 7.7161 7.9906 8.0348 10.0971 10.2971 10.8724 10.9210 12.8143 12.9293 13.9719 13.9751 14.3496 14.3695 14.3766 14.4126 k = 0.5694-0.1684 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5980 -16.5965 -16.0964 -16.0948 -16.0907 -16.0897 -9.4755 -9.4746 -9.4733 -9.4714 -8.4475 -8.4473 -8.4442 -8.4424 -8.4378 -8.4365 4.0923 4.1257 5.8101 5.9633 6.2588 6.5921 6.6830 6.8235 7.4255 7.5075 7.6256 7.7121 7.9771 8.0138 10.1801 10.3732 10.8639 10.9116 12.7771 12.8842 13.9302 13.9330 14.3584 14.3757 14.3799 14.4122 k = 0.5625-0.1804 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5979 -16.5965 -16.0964 -16.0949 -16.0905 -16.0897 -9.4756 -9.4747 -9.4732 -9.4715 -8.4477 -8.4475 -8.4441 -8.4425 -8.4377 -8.4365 4.0927 4.1232 5.8091 5.9467 6.2792 6.5874 6.6808 6.8011 7.4406 7.5270 7.6388 7.7066 7.9643 7.9947 10.2637 10.4484 10.8567 10.9036 12.7416 12.8401 13.8914 13.8937 14.3665 14.3813 14.3838 14.4123 k = 0.5556-0.1925 0.4082 ( 2748 PWs) bands (ev): -37.6148 -37.6147 -16.5978 -16.5966 -16.0964 -16.0950 -16.0904 -16.0896 -9.4756 -9.4748 -9.4731 -9.4715 -8.4478 -8.4476 -8.4441 -8.4426 -8.4375 -8.4364 4.0930 4.1206 5.8088 5.9308 6.3000 6.5817 6.6787 6.7795 7.4561 7.5455 7.6502 7.6995 7.9524 7.9778 10.3463 10.5212 10.8510 10.8972 12.7078 12.7970 13.8559 13.8578 14.3740 14.3861 14.3883 14.4127 k = 0.5486-0.2045 0.4082 ( 2746 PWs) bands (ev): -37.6148 -37.6147 -16.5977 -16.5966 -16.0963 -16.0951 -16.0902 -16.0895 -9.4756 -9.4749 -9.4731 -9.4716 -8.4480 -8.4478 -8.4440 -8.4427 -8.4374 -8.4364 4.0934 4.1178 5.8092 5.9157 6.3212 6.5746 6.6769 6.7592 7.4721 7.5628 7.6595 7.6907 7.9416 7.9630 10.4263 10.5895 10.8471 10.8926 12.6761 12.7554 13.8239 13.8255 14.3807 14.3900 14.3932 14.4130 k = 0.5417-0.2165 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5977 -16.5967 -16.0963 -16.0953 -16.0901 -16.0895 -9.4757 -9.4751 -9.4730 -9.4718 -8.4481 -8.4480 -8.4440 -8.4429 -8.4373 -8.4365 4.0938 4.1150 5.8104 5.9015 6.3427 6.5658 6.6754 6.7405 7.4883 7.5789 7.6665 7.6804 7.9322 7.9503 10.5017 10.6509 10.8460 10.8900 12.6468 12.7155 13.7958 13.7971 14.3868 14.3935 14.3977 14.4133 k = 0.5347-0.2285 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5976 -16.5968 -16.0963 -16.0954 -16.0900 -16.0895 -9.4757 -9.4752 -9.4729 -9.4719 -8.4482 -8.4481 -8.4439 -8.4430 -8.4372 -8.4365 4.0944 4.1122 5.8126 5.8882 6.3644 6.5552 6.6743 6.7240 7.5047 7.5937 7.6688 7.6710 7.9244 7.9396 10.5702 10.7018 10.8491 10.8897 12.6207 12.6784 13.7717 13.7728 14.3921 14.3966 14.4016 14.4134 k = 0.5278-0.2406 0.4082 ( 2758 PWs) bands (ev): -37.6148 -37.6147 -16.5975 -16.5968 -16.0962 -16.0955 -16.0899 -16.0895 -9.4757 -9.4753 -9.4728 -9.4720 -8.4483 -8.4482 -8.4439 -8.4431 -8.4371 -8.4366 4.0952 4.1095 5.8156 5.8760 6.3863 6.5424 6.6737 6.7101 7.5214 7.6068 7.6566 7.6730 7.9183 7.9308 10.6295 10.7379 10.8590 10.8922 12.5983 12.6447 13.7518 13.7527 14.3966 14.3994 14.4048 14.4133 k = 0.5208-0.2526 0.4082 ( 2762 PWs) bands (ev): -37.6148 -37.6147 -16.5974 -16.5969 -16.0962 -16.0957 -16.0898 -16.0895 -9.4757 -9.4754 -9.4727 -9.4721 -8.4484 -8.4483 -8.4438 -8.4432 -8.4370 -8.4366 4.0961 4.1070 5.8195 5.8647 6.4082 6.5275 6.6736 6.6988 7.5381 7.6160 7.6459 7.6726 7.9140 7.9237 10.6777 10.7575 10.8753 10.8972 12.5807 12.6155 13.7363 13.7369 14.4004 14.4019 14.4073 14.4129 k = 0.5139-0.2646 0.4082 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5973 -16.5970 -16.0961 -16.0958 -16.0897 -16.0895 -9.4757 -9.4755 -9.4726 -9.4722 -8.4485 -8.4484 -8.4437 -8.4434 -8.4370 -8.4367 4.0973 4.1046 5.8245 5.8546 6.4300 6.5106 6.6743 6.6900 7.5548 7.6146 7.6438 7.6697 7.9115 7.9182 10.7137 10.7641 10.8929 10.9039 12.5688 12.5920 13.7251 13.7256 14.4033 14.4040 14.4090 14.4123 k = 0.5069-0.2766 0.4082 ( 2770 PWs) bands (ev): -37.6148 -37.6148 -16.5973 -16.5971 -16.0960 -16.0959 -16.0897 -16.0896 -9.4757 -9.4756 -9.4725 -9.4723 -8.4485 -8.4484 -8.4437 -8.4435 -8.4369 -8.4367 4.0988 4.1024 5.8304 5.8455 6.4514 6.4921 6.6761 6.6836 7.5714 7.6027 7.6503 7.6647 7.9108 7.9142 10.7385 10.7624 10.9057 10.9096 12.5636 12.5752 13.7185 13.7187 14.4052 14.4054 14.4100 14.4115 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -37.6148 -37.6148 -16.5972 -16.5972 -16.0960 -16.0960 -16.0896 -16.0896 -9.4756 -9.4756 -9.4725 -9.4725 -8.4485 -8.4485 -8.4436 -8.4436 -8.4368 -8.4368 4.1005 4.1005 5.8374 5.8374 6.4722 6.4722 6.6790 6.6790 7.5875 7.5875 7.6580 7.6580 7.9117 7.9117 10.7541 10.7541 10.9111 10.9111 12.5656 12.5656 13.7163 13.7163 14.4059 14.4059 14.4107 14.4107 Writing output data file ScSnAu.save init_run : 1.12s CPU 0.65s WALL ( 1 calls) electrons : 294.08s CPU 191.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 294.07s CPU 191.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.27s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.23s CPU 0.30s WALL ( 328 calls) cegterg : 265.17s CPU 174.75s WALL ( 572 calls) Called by sum_band: Called by *egterg: h_psi : 187.96s CPU 113.02s WALL ( 8768 calls) s_psi : 7.22s CPU 4.71s WALL ( 8768 calls) g_psi : 0.31s CPU 0.18s WALL ( 7868 calls) cdiaghg : 74.10s CPU 56.25s WALL ( 8196 calls) cegterg:over : 8.10s CPU 5.36s WALL ( 7868 calls) cegterg:upda : 5.59s CPU 4.01s WALL ( 7868 calls) cegterg:last : 3.18s CPU 2.26s WALL ( 1556 calls) cdiaghg:chol : 4.04s CPU 3.08s WALL ( 8196 calls) cdiaghg:inve : 2.08s CPU 1.69s WALL ( 8196 calls) cdiaghg:para : 4.15s CPU 3.14s WALL ( 16392 calls) Called by h_psi: h_psi:vloc : 171.44s CPU 102.17s WALL ( 8768 calls) h_psi:vnl : 16.26s CPU 10.68s WALL ( 8768 calls) add_vuspsi : 10.12s CPU 6.35s WALL ( 8768 calls) General routines calbec : 6.09s CPU 4.30s WALL ( 8768 calls) fft : 0.11s CPU 0.06s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 161.62s CPU 95.81s WALL ( 848948 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.30s CPU 0.50s WALL ( 656 calls) Parallel routines fft_scatter : 59.49s CPU 38.64s WALL ( 848971 calls) PWSCF : 5m 7.41s CPU 3m37.64s WALL This run was terminated on: 2: 9: 5 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=