Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & 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: ./Li2InIr.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 58 58 16 1796 1796 265 Max 59 59 17 1802 1802 269 Sum 2107 2107 595 64767 64767 9577 bravais-lattice index = 14 lattice parameter (alat) = 8.6602 a.u. unit-cell volume = 459.2642 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.660159 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Li 3.00 6.94100 Li( 1.00) Ir 17.00 192.21700 Ir( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0058913 0.0083316), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0117827 0.0166632), wk = 0.0030581 k( 4) = ( 0.0306122 -0.0176740 0.0249948), wk = 0.0030581 k( 5) = ( 0.0408163 -0.0235653 0.0333264), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0294566 0.0416580), wk = 0.0030581 k( 7) = ( 0.0612245 -0.0353480 0.0499896), wk = 0.0030581 k( 8) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0471306 0.0666528), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0530220 0.0749844), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0589133 0.0833160), wk = 0.0030581 k( 12) = ( 0.1122449 -0.0648046 0.0916476), wk = 0.0030581 k( 13) = ( 0.1224490 -0.0706960 0.0999792), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0765873 0.1083108), wk = 0.0030581 k( 15) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0883699 0.1249740), wk = 0.0030581 k( 17) = ( 0.1632653 -0.0942613 0.1333056), wk = 0.0030581 k( 18) = ( 0.1734694 -0.1001526 0.1416372), wk = 0.0030581 k( 19) = ( 0.1836735 -0.1060439 0.1499688), wk = 0.0030581 k( 20) = ( 0.1938776 -0.1119353 0.1583004), wk = 0.0030581 k( 21) = ( 0.2040816 -0.1178266 0.1666320), wk = 0.0030581 k( 22) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0030581 k( 23) = ( 0.2244898 -0.1296092 0.1832952), wk = 0.0030581 k( 24) = ( 0.2346939 -0.1355006 0.1916268), wk = 0.0030581 k( 25) = ( 0.2448980 -0.1413919 0.1999583), wk = 0.0030581 k( 26) = ( 0.2551020 -0.1472832 0.2082899), wk = 0.0030581 k( 27) = ( 0.2653061 -0.1531746 0.2166215), wk = 0.0030581 k( 28) = ( 0.2755102 -0.1590659 0.2249531), wk = 0.0030581 k( 29) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0030581 k( 30) = ( 0.2959184 -0.1708486 0.2416163), wk = 0.0030581 k( 31) = ( 0.3061224 -0.1767399 0.2499479), wk = 0.0030581 k( 32) = ( 0.3163265 -0.1826312 0.2582795), wk = 0.0030581 k( 33) = ( 0.3265306 -0.1885225 0.2666111), wk = 0.0030581 k( 34) = ( 0.3367347 -0.1944139 0.2749427), wk = 0.0030581 k( 35) = ( 0.3469388 -0.2003052 0.2832743), wk = 0.0030581 k( 36) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0030581 k( 37) = ( 0.3673469 -0.2120879 0.2999375), wk = 0.0030581 k( 38) = ( 0.3775510 -0.2179792 0.3082691), wk = 0.0030581 k( 39) = ( 0.3877551 -0.2238705 0.3166007), wk = 0.0030581 k( 40) = ( 0.3979592 -0.2297618 0.3249323), wk = 0.0030581 k( 41) = ( 0.4081633 -0.2356532 0.3332639), wk = 0.0030581 k( 42) = ( 0.4183674 -0.2415445 0.3415955), wk = 0.0030581 k( 43) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0030581 k( 44) = ( 0.4387755 -0.2533272 0.3582587), wk = 0.0030581 k( 45) = ( 0.4489796 -0.2592185 0.3665903), wk = 0.0030581 k( 46) = ( 0.4591837 -0.2651098 0.3749219), wk = 0.0030581 k( 47) = ( 0.4693878 -0.2710011 0.3832535), wk = 0.0030581 k( 48) = ( 0.4795918 -0.2768925 0.3915851), wk = 0.0030581 k( 49) = ( 0.4897959 -0.2827838 0.3999167), wk = 0.0030581 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 51) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 k( 52) = ( 0.5000000 -0.2771281 0.4164133), wk = 0.0030581 k( 53) = ( 0.5000000 -0.2655811 0.4245782), wk = 0.0030581 k( 54) = ( 0.5000000 -0.2540341 0.4327432), wk = 0.0030581 k( 55) = ( 0.5000000 -0.2424871 0.4409082), wk = 0.0030581 k( 56) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0030581 k( 57) = ( 0.5000000 -0.2193931 0.4572381), wk = 0.0030581 k( 58) = ( 0.5000000 -0.2078461 0.4654031), wk = 0.0030581 k( 59) = ( 0.5000000 -0.1962991 0.4735680), wk = 0.0030581 k( 60) = ( 0.5000000 -0.1847521 0.4817330), wk = 0.0030581 k( 61) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0030581 k( 62) = ( 0.5000000 -0.1616581 0.4980629), wk = 0.0030581 k( 63) = ( 0.5000000 -0.1501111 0.5062279), wk = 0.0030581 k( 64) = ( 0.5000000 -0.1385641 0.5143928), wk = 0.0030581 k( 65) = ( 0.5000000 -0.1270171 0.5225578), wk = 0.0030581 k( 66) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0030581 k( 67) = ( 0.5000000 -0.1039230 0.5388877), wk = 0.0030581 k( 68) = ( 0.5000000 -0.0923760 0.5470527), wk = 0.0030581 k( 69) = ( 0.5000000 -0.0808290 0.5552177), wk = 0.0030581 k( 70) = ( 0.5000000 -0.0692820 0.5633826), wk = 0.0030581 k( 71) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0030581 k( 72) = ( 0.5000000 -0.0461880 0.5797126), wk = 0.0030581 k( 73) = ( 0.5000000 -0.0346410 0.5878775), wk = 0.0030581 k( 74) = ( 0.5000000 -0.0230940 0.5960425), wk = 0.0030581 k( 75) = ( 0.5000000 -0.0115470 0.6042075), wk = 0.0030581 k( 76) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 77) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 78) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0030581 k( 79) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0030581 k( 80) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0030581 k( 81) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0030581 k( 82) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0030581 k( 83) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0030581 k( 84) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0030581 k( 85) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0030581 k( 86) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0030581 k( 87) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0030581 k( 88) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0030581 k( 89) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0030581 k( 90) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0030581 k( 91) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0030581 k( 92) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0030581 k( 93) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0030581 k( 94) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0030581 k( 95) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 96) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 97) = ( 0.3677885 0.2123428 0.6005960), wk = 0.0030581 k( 98) = ( 0.3605769 0.2081792 0.5888197), wk = 0.0030581 k( 99) = ( 0.3533654 0.2040156 0.5770433), wk = 0.0030581 k( 100) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0030581 k( 101) = ( 0.3389423 0.1956884 0.5534905), wk = 0.0030581 k( 102) = ( 0.3317308 0.1915248 0.5417141), wk = 0.0030581 k( 103) = ( 0.3245192 0.1873613 0.5299377), wk = 0.0030581 k( 104) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0030581 k( 105) = ( 0.3100962 0.1790341 0.5063849), wk = 0.0030581 k( 106) = ( 0.3028846 0.1748705 0.4946085), wk = 0.0030581 k( 107) = ( 0.2956731 0.1707069 0.4828321), wk = 0.0030581 k( 108) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0030581 k( 109) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0030581 k( 110) = ( 0.2740385 0.1582162 0.4475029), wk = 0.0030581 k( 111) = ( 0.2668269 0.1540526 0.4357265), wk = 0.0030581 k( 112) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0030581 k( 113) = ( 0.2524038 0.1457254 0.4121737), wk = 0.0030581 k( 114) = ( 0.2451923 0.1415618 0.4003974), wk = 0.0030581 k( 115) = ( 0.2379808 0.1373983 0.3886210), wk = 0.0030581 k( 116) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0030581 k( 117) = ( 0.2235577 0.1290711 0.3650682), wk = 0.0030581 k( 118) = ( 0.2163461 0.1249075 0.3532918), wk = 0.0030581 k( 119) = ( 0.2091346 0.1207439 0.3415154), wk = 0.0030581 k( 120) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0030581 k( 121) = ( 0.1947115 0.1124168 0.3179626), wk = 0.0030581 k( 122) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0030581 k( 123) = ( 0.1802885 0.1040896 0.2944098), wk = 0.0030581 k( 124) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0030581 k( 125) = ( 0.1658654 0.0957624 0.2708570), wk = 0.0030581 k( 126) = ( 0.1586539 0.0915988 0.2590806), wk = 0.0030581 k( 127) = ( 0.1514423 0.0874353 0.2473043), wk = 0.0030581 k( 128) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0030581 k( 129) = ( 0.1370192 0.0791081 0.2237515), wk = 0.0030581 k( 130) = ( 0.1298077 0.0749445 0.2119751), wk = 0.0030581 k( 131) = ( 0.1225962 0.0707809 0.2001987), wk = 0.0030581 k( 132) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0030581 k( 133) = ( 0.1081731 0.0624538 0.1766459), wk = 0.0030581 k( 134) = ( 0.1009615 0.0582902 0.1648695), wk = 0.0030581 k( 135) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0030581 k( 136) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0030581 k( 137) = ( 0.0793269 0.0457994 0.1295403), wk = 0.0030581 k( 138) = ( 0.0721154 0.0416358 0.1177639), wk = 0.0030581 k( 139) = ( 0.0649038 0.0374723 0.1059875), wk = 0.0030581 k( 140) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0030581 k( 141) = ( 0.0504808 0.0291451 0.0824348), wk = 0.0030581 k( 142) = ( 0.0432692 0.0249815 0.0706584), wk = 0.0030581 k( 143) = ( 0.0360577 0.0208179 0.0588820), wk = 0.0030581 k( 144) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0030581 k( 145) = ( 0.0216346 0.0124908 0.0353292), wk = 0.0030581 k( 146) = ( 0.0144231 0.0083272 0.0235528), wk = 0.0030581 k( 147) = ( 0.0072115 0.0041636 0.0117764), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0030581 k( 151) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0030581 k( 152) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0030581 k( 153) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0030581 k( 154) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0030581 k( 155) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0030581 k( 156) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0030581 k( 157) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0030581 k( 158) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0030581 k( 159) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0030581 k( 160) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0030581 k( 161) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0030581 k( 162) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0030581 k( 163) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0030581 k( 164) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0030581 k( 165) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0030581 k( 166) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0030581 k( 167) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0030581 k( 168) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0030581 k( 169) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0030581 k( 170) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0030581 k( 171) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0030581 k( 172) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0030581 k( 173) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0030581 k( 174) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0030581 k( 175) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0030581 k( 176) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0030581 k( 177) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0030581 k( 178) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0030581 k( 179) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0030581 k( 180) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0030581 k( 181) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0030581 k( 182) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0030581 k( 183) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0030581 k( 184) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0030581 k( 185) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0030581 k( 186) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0030581 k( 187) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0030581 k( 188) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0030581 k( 189) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0030581 k( 190) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0030581 k( 191) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 192) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 193) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0030581 k( 194) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0030581 k( 195) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0030581 k( 196) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0030581 k( 197) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0030581 k( 198) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0030581 k( 199) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0030581 k( 200) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0030581 k( 201) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0030581 k( 202) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0030581 k( 203) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0030581 k( 204) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0030581 k( 205) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0030581 k( 206) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0030581 k( 207) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0030581 k( 208) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0030581 k( 209) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0030581 k( 210) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0030581 k( 211) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0030581 k( 212) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0030581 k( 213) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0030581 k( 214) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0030581 k( 215) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0030581 k( 216) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0030581 k( 217) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0030581 k( 218) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0030581 k( 219) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0030581 k( 220) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0030581 k( 221) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0030581 k( 222) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 223) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 224) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0030581 k( 225) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0030581 k( 226) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0030581 k( 227) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0030581 k( 228) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0030581 k( 229) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0030581 k( 230) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0030581 k( 231) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0030581 k( 232) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0030581 k( 233) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0030581 k( 234) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0030581 k( 235) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0030581 k( 236) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0030581 k( 237) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0030581 k( 238) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0030581 k( 239) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0030581 k( 240) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0030581 k( 241) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 242) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0030581 k( 243) = ( 0.5000000 0.0082479 0.6007082), wk = 0.0030581 k( 244) = ( 0.5000000 0.0164957 0.5890440), wk = 0.0030581 k( 245) = ( 0.5000000 0.0247436 0.5773797), wk = 0.0030581 k( 246) = ( 0.5000000 0.0329914 0.5657155), wk = 0.0030581 k( 247) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0030581 k( 248) = ( 0.5000000 0.0494872 0.5423870), wk = 0.0030581 k( 249) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0030581 k( 250) = ( 0.5000000 0.0659829 0.5190585), wk = 0.0030581 k( 251) = ( 0.5000000 0.0742307 0.5073943), wk = 0.0030581 k( 252) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0030581 k( 253) = ( 0.5000000 0.0907265 0.4840658), wk = 0.0030581 k( 254) = ( 0.5000000 0.0989743 0.4724016), wk = 0.0030581 k( 255) = ( 0.5000000 0.1072222 0.4607374), wk = 0.0030581 k( 256) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0030581 k( 257) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0030581 k( 258) = ( 0.5000000 0.1319658 0.4257447), wk = 0.0030581 k( 259) = ( 0.5000000 0.1402136 0.4140804), wk = 0.0030581 k( 260) = ( 0.5000000 0.1484615 0.4024162), wk = 0.0030581 k( 261) = ( 0.5000000 0.1567094 0.3907519), wk = 0.0030581 k( 262) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0030581 k( 263) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0030581 k( 264) = ( 0.5000000 0.1814529 0.3557592), wk = 0.0030581 k( 265) = ( 0.5000000 0.1897008 0.3440950), wk = 0.0030581 k( 266) = ( 0.5000000 0.1979487 0.3324308), wk = 0.0030581 k( 267) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0030581 k( 268) = ( 0.5000000 0.2144444 0.3091023), wk = 0.0030581 k( 269) = ( 0.5000000 0.2226922 0.2974380), wk = 0.0030581 k( 270) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0030581 k( 271) = ( 0.5000000 0.2391880 0.2741096), wk = 0.0030581 k( 272) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0030581 k( 273) = ( 0.5000000 0.2556837 0.2507811), wk = 0.0030581 k( 274) = ( 0.5000000 0.2639316 0.2391169), wk = 0.0030581 k( 275) = ( 0.5000000 0.2721794 0.2274526), wk = 0.0030581 k( 276) = ( 0.5000000 0.2804273 0.2157884), wk = 0.0030581 k( 277) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 278) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0030581 k( 279) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0030581 k( 280) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0030581 k( 281) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0030581 k( 282) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0030581 k( 283) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0030581 k( 284) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0030581 k( 285) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0030581 k( 286) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0030581 k( 287) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0030581 k( 288) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0030581 k( 289) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0030581 k( 290) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0030581 k( 291) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0030581 k( 292) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0030581 k( 293) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0030581 k( 294) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0030581 k( 295) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0030581 k( 296) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0030581 k( 297) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0030581 k( 298) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0030581 k( 299) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0030581 k( 300) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0030581 k( 301) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0030581 k( 302) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0030581 k( 303) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0030581 k( 304) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0030581 k( 305) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0030581 k( 306) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0030581 k( 307) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0030581 k( 308) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0030581 k( 309) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0030581 k( 310) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0030581 k( 311) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0030581 k( 312) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0030581 k( 313) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0030581 k( 314) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0030581 k( 315) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0030581 k( 316) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0030581 k( 317) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0030581 k( 318) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0030581 k( 319) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0030581 k( 320) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0030581 k( 321) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0030581 k( 322) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0030581 k( 323) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0030581 k( 324) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0030581 k( 325) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0030581 k( 326) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0030581 k( 327) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0102041 -0.0000000 0.0102041), wk = 0.0030581 k( 3) = ( 0.0204082 -0.0000000 0.0204082), wk = 0.0030581 k( 4) = ( 0.0306122 0.0000000 0.0306122), wk = 0.0030581 k( 5) = ( 0.0408163 0.0000000 0.0408163), wk = 0.0030581 k( 6) = ( 0.0510204 -0.0000000 0.0510204), wk = 0.0030581 k( 7) = ( 0.0612245 0.0000000 0.0612245), wk = 0.0030581 k( 8) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0030581 k( 9) = ( 0.0816327 -0.0000000 0.0816327), wk = 0.0030581 k( 10) = ( 0.0918367 -0.0000000 0.0918367), wk = 0.0030581 k( 11) = ( 0.1020408 -0.0000000 0.1020408), wk = 0.0030581 k( 12) = ( 0.1122449 0.0000000 0.1122449), wk = 0.0030581 k( 13) = ( 0.1224490 0.0000000 0.1224490), wk = 0.0030581 k( 14) = ( 0.1326531 -0.0000000 0.1326531), wk = 0.0030581 k( 15) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0030581 k( 16) = ( 0.1530612 -0.0000000 0.1530612), wk = 0.0030581 k( 17) = ( 0.1632653 0.0000000 0.1632653), wk = 0.0030581 k( 18) = ( 0.1734694 0.0000000 0.1734694), wk = 0.0030581 k( 19) = ( 0.1836735 -0.0000000 0.1836735), wk = 0.0030581 k( 20) = ( 0.1938776 0.0000000 0.1938775), wk = 0.0030581 k( 21) = ( 0.2040816 0.0000000 0.2040816), wk = 0.0030581 k( 22) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0030581 k( 23) = ( 0.2244898 0.0000000 0.2244898), wk = 0.0030581 k( 24) = ( 0.2346939 -0.0000000 0.2346939), wk = 0.0030581 k( 25) = ( 0.2448980 0.0000000 0.2448980), wk = 0.0030581 k( 26) = ( 0.2551020 -0.0000000 0.2551020), wk = 0.0030581 k( 27) = ( 0.2653061 -0.0000000 0.2653061), wk = 0.0030581 k( 28) = ( 0.2755102 -0.0000000 0.2755102), wk = 0.0030581 k( 29) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0030581 k( 30) = ( 0.2959184 -0.0000000 0.2959184), wk = 0.0030581 k( 31) = ( 0.3061224 0.0000000 0.3061224), wk = 0.0030581 k( 32) = ( 0.3163265 -0.0000000 0.3163265), wk = 0.0030581 k( 33) = ( 0.3265306 -0.0000000 0.3265306), wk = 0.0030581 k( 34) = ( 0.3367347 0.0000000 0.3367347), wk = 0.0030581 k( 35) = ( 0.3469388 0.0000000 0.3469388), wk = 0.0030581 k( 36) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0030581 k( 37) = ( 0.3673469 -0.0000000 0.3673469), wk = 0.0030581 k( 38) = ( 0.3775510 0.0000000 0.3775510), wk = 0.0030581 k( 39) = ( 0.3877551 0.0000000 0.3877551), wk = 0.0030581 k( 40) = ( 0.3979592 0.0000000 0.3979592), wk = 0.0030581 k( 41) = ( 0.4081633 0.0000000 0.4081633), wk = 0.0030581 k( 42) = ( 0.4183674 0.0000000 0.4183674), wk = 0.0030581 k( 43) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0030581 k( 44) = ( 0.4387755 0.0000000 0.4387755), wk = 0.0030581 k( 45) = ( 0.4489796 0.0000000 0.4489796), wk = 0.0030581 k( 46) = ( 0.4591837 0.0000000 0.4591837), wk = 0.0030581 k( 47) = ( 0.4693878 -0.0000000 0.4693878), wk = 0.0030581 k( 48) = ( 0.4795918 0.0000000 0.4795918), wk = 0.0030581 k( 49) = ( 0.4897959 0.0000000 0.4897959), wk = 0.0030581 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 k( 52) = ( 0.5000000 0.0100000 0.5100000), wk = 0.0030581 k( 53) = ( 0.5000000 0.0200000 0.5200000), wk = 0.0030581 k( 54) = ( 0.5000000 0.0300000 0.5300000), wk = 0.0030581 k( 55) = ( 0.5000000 0.0400000 0.5400000), wk = 0.0030581 k( 56) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0030581 k( 57) = ( 0.5000000 0.0600000 0.5600000), wk = 0.0030581 k( 58) = ( 0.5000000 0.0700000 0.5700000), wk = 0.0030581 k( 59) = ( 0.5000000 0.0800000 0.5800000), wk = 0.0030581 k( 60) = ( 0.5000000 0.0900000 0.5900000), wk = 0.0030581 k( 61) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0030581 k( 62) = ( 0.5000000 0.1100000 0.6100000), wk = 0.0030581 k( 63) = ( 0.5000000 0.1200000 0.6200000), wk = 0.0030581 k( 64) = ( 0.5000000 0.1300000 0.6300000), wk = 0.0030581 k( 65) = ( 0.5000000 0.1400000 0.6400000), wk = 0.0030581 k( 66) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0030581 k( 67) = ( 0.5000000 0.1600000 0.6600000), wk = 0.0030581 k( 68) = ( 0.5000000 0.1700000 0.6700000), wk = 0.0030581 k( 69) = ( 0.5000000 0.1800000 0.6800000), wk = 0.0030581 k( 70) = ( 0.5000000 0.1900000 0.6900000), wk = 0.0030581 k( 71) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0030581 k( 72) = ( 0.5000000 0.2100000 0.7100000), wk = 0.0030581 k( 73) = ( 0.5000000 0.2200000 0.7200000), wk = 0.0030581 k( 74) = ( 0.5000000 0.2300000 0.7300000), wk = 0.0030581 k( 75) = ( 0.5000000 0.2400000 0.7400000), wk = 0.0030581 k( 76) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 77) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 78) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0030581 k( 79) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0030581 k( 80) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0030581 k( 81) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0030581 k( 82) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0030581 k( 83) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0030581 k( 84) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0030581 k( 85) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0030581 k( 86) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0030581 k( 87) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0030581 k( 88) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0030581 k( 89) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0030581 k( 90) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0030581 k( 91) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0030581 k( 92) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0030581 k( 93) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0030581 k( 94) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0030581 k( 95) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 96) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 97) = ( 0.3677885 0.3677885 0.7355769), wk = 0.0030581 k( 98) = ( 0.3605769 0.3605769 0.7211538), wk = 0.0030581 k( 99) = ( 0.3533654 0.3533654 0.7067308), wk = 0.0030581 k( 100) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0030581 k( 101) = ( 0.3389423 0.3389423 0.6778846), wk = 0.0030581 k( 102) = ( 0.3317308 0.3317308 0.6634615), wk = 0.0030581 k( 103) = ( 0.3245192 0.3245192 0.6490385), wk = 0.0030581 k( 104) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0030581 k( 105) = ( 0.3100962 0.3100961 0.6201923), wk = 0.0030581 k( 106) = ( 0.3028846 0.3028846 0.6057692), wk = 0.0030581 k( 107) = ( 0.2956731 0.2956731 0.5913461), wk = 0.0030581 k( 108) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0030581 k( 109) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0030581 k( 110) = ( 0.2740385 0.2740385 0.5480769), wk = 0.0030581 k( 111) = ( 0.2668269 0.2668269 0.5336538), wk = 0.0030581 k( 112) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0030581 k( 113) = ( 0.2524038 0.2524038 0.5048077), wk = 0.0030581 k( 114) = ( 0.2451923 0.2451923 0.4903846), wk = 0.0030581 k( 115) = ( 0.2379808 0.2379808 0.4759615), wk = 0.0030581 k( 116) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0030581 k( 117) = ( 0.2235577 0.2235577 0.4471154), wk = 0.0030581 k( 118) = ( 0.2163461 0.2163461 0.4326923), wk = 0.0030581 k( 119) = ( 0.2091346 0.2091346 0.4182692), wk = 0.0030581 k( 120) = ( 0.2019231 0.2019231 0.4038461), wk = 0.0030581 k( 121) = ( 0.1947115 0.1947115 0.3894231), wk = 0.0030581 k( 122) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0030581 k( 123) = ( 0.1802885 0.1802885 0.3605769), wk = 0.0030581 k( 124) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0030581 k( 125) = ( 0.1658654 0.1658654 0.3317308), wk = 0.0030581 k( 126) = ( 0.1586539 0.1586539 0.3173077), wk = 0.0030581 k( 127) = ( 0.1514423 0.1514423 0.3028846), wk = 0.0030581 k( 128) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0030581 k( 129) = ( 0.1370192 0.1370192 0.2740385), wk = 0.0030581 k( 130) = ( 0.1298077 0.1298077 0.2596154), wk = 0.0030581 k( 131) = ( 0.1225962 0.1225962 0.2451923), wk = 0.0030581 k( 132) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0030581 k( 133) = ( 0.1081731 0.1081731 0.2163461), wk = 0.0030581 k( 134) = ( 0.1009615 0.1009615 0.2019231), wk = 0.0030581 k( 135) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0030581 k( 136) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0030581 k( 137) = ( 0.0793269 0.0793269 0.1586539), wk = 0.0030581 k( 138) = ( 0.0721154 0.0721154 0.1442308), wk = 0.0030581 k( 139) = ( 0.0649038 0.0649038 0.1298077), wk = 0.0030581 k( 140) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0030581 k( 141) = ( 0.0504808 0.0504808 0.1009615), wk = 0.0030581 k( 142) = ( 0.0432692 0.0432692 0.0865385), wk = 0.0030581 k( 143) = ( 0.0360577 0.0360577 0.0721154), wk = 0.0030581 k( 144) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0030581 k( 145) = ( 0.0216346 0.0216346 0.0432692), wk = 0.0030581 k( 146) = ( 0.0144231 0.0144231 0.0288461), wk = 0.0030581 k( 147) = ( 0.0072115 0.0072115 0.0144231), wk = 0.0030581 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 150) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0030581 k( 151) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0030581 k( 152) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0030581 k( 153) = ( 0.0476191 0.0476190 0.0476190), wk = 0.0030581 k( 154) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0030581 k( 155) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0030581 k( 156) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030581 k( 157) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0030581 k( 158) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0030581 k( 159) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0030581 k( 160) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0030581 k( 161) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0030581 k( 162) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0030581 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030581 k( 164) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0030581 k( 165) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0030581 k( 166) = ( 0.2023810 0.2023809 0.2023810), wk = 0.0030581 k( 167) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0030581 k( 168) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0030581 k( 169) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0030581 k( 170) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 171) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0030581 k( 172) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0030581 k( 173) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0030581 k( 174) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0030581 k( 175) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0030581 k( 176) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0030581 k( 177) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030581 k( 178) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0030581 k( 179) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0030581 k( 180) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0030581 k( 181) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0030581 k( 182) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0030581 k( 183) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0030581 k( 184) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030581 k( 185) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0030581 k( 186) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0030581 k( 187) = ( 0.4523810 0.4523810 0.4523809), wk = 0.0030581 k( 188) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0030581 k( 189) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0030581 k( 190) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0030581 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 193) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0030581 k( 194) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0030581 k( 195) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0030581 k( 196) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0030581 k( 197) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0030581 k( 198) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0030581 k( 199) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0030581 k( 200) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0030581 k( 201) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0030581 k( 202) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0030581 k( 203) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0030581 k( 204) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0030581 k( 205) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0030581 k( 206) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0030581 k( 207) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0030581 k( 208) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0030581 k( 209) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0030581 k( 210) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0030581 k( 211) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0030581 k( 212) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0030581 k( 213) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0030581 k( 214) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0030581 k( 215) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0030581 k( 216) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0030581 k( 217) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0030581 k( 218) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0030581 k( 219) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0030581 k( 220) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0030581 k( 221) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0030581 k( 222) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 223) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 224) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0030581 k( 225) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0030581 k( 226) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0030581 k( 227) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0030581 k( 228) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0030581 k( 229) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0030581 k( 230) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0030581 k( 231) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0030581 k( 232) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0030581 k( 233) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0030581 k( 234) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0030581 k( 235) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0030581 k( 236) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0030581 k( 237) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0030581 k( 238) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0030581 k( 239) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0030581 k( 240) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0030581 k( 241) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 242) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0030581 k( 243) = ( 0.5000000 0.2571429 0.7428571), wk = 0.0030581 k( 244) = ( 0.5000000 0.2642857 0.7357143), wk = 0.0030581 k( 245) = ( 0.5000000 0.2714286 0.7285714), wk = 0.0030581 k( 246) = ( 0.5000000 0.2785714 0.7214286), wk = 0.0030581 k( 247) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0030581 k( 248) = ( 0.5000000 0.2928571 0.7071429), wk = 0.0030581 k( 249) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0030581 k( 250) = ( 0.5000000 0.3071429 0.6928571), wk = 0.0030581 k( 251) = ( 0.5000000 0.3142857 0.6857143), wk = 0.0030581 k( 252) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0030581 k( 253) = ( 0.5000000 0.3285714 0.6714286), wk = 0.0030581 k( 254) = ( 0.5000000 0.3357143 0.6642857), wk = 0.0030581 k( 255) = ( 0.5000000 0.3428571 0.6571429), wk = 0.0030581 k( 256) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0030581 k( 257) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0030581 k( 258) = ( 0.5000000 0.3642857 0.6357143), wk = 0.0030581 k( 259) = ( 0.5000000 0.3714286 0.6285714), wk = 0.0030581 k( 260) = ( 0.5000000 0.3785714 0.6214286), wk = 0.0030581 k( 261) = ( 0.5000000 0.3857143 0.6142857), wk = 0.0030581 k( 262) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0030581 k( 263) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0030581 k( 264) = ( 0.5000000 0.4071429 0.5928571), wk = 0.0030581 k( 265) = ( 0.5000000 0.4142857 0.5857143), wk = 0.0030581 k( 266) = ( 0.5000000 0.4214286 0.5785714), wk = 0.0030581 k( 267) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0030581 k( 268) = ( 0.5000000 0.4357143 0.5642857), wk = 0.0030581 k( 269) = ( 0.5000000 0.4428571 0.5571429), wk = 0.0030581 k( 270) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0030581 k( 271) = ( 0.5000000 0.4571429 0.5428571), wk = 0.0030581 k( 272) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0030581 k( 273) = ( 0.5000000 0.4714286 0.5285714), wk = 0.0030581 k( 274) = ( 0.5000000 0.4785714 0.5214286), wk = 0.0030581 k( 275) = ( 0.5000000 0.4857143 0.5142857), wk = 0.0030581 k( 276) = ( 0.5000000 0.4928571 0.5071429), wk = 0.0030581 k( 277) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 279) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0030581 k( 280) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0030581 k( 281) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0030581 k( 282) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0030581 k( 283) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0030581 k( 284) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0030581 k( 285) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0030581 k( 286) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0030581 k( 287) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0030581 k( 288) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0030581 k( 289) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0030581 k( 290) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0030581 k( 291) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0030581 k( 292) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0030581 k( 293) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0030581 k( 294) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0030581 k( 295) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0030581 k( 296) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0030581 k( 297) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0030581 k( 298) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0030581 k( 299) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0030581 k( 300) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0030581 k( 301) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0030581 k( 302) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0030581 k( 303) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0030581 k( 304) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0030581 k( 305) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0030581 k( 306) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0030581 k( 307) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0030581 k( 308) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0030581 k( 309) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0030581 k( 310) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0030581 k( 311) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0030581 k( 312) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0030581 k( 313) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0030581 k( 314) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0030581 k( 315) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0030581 k( 316) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0030581 k( 317) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0030581 k( 318) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0030581 k( 319) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0030581 k( 320) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0030581 k( 321) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0030581 k( 322) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0030581 k( 323) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0030581 k( 324) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0030581 k( 325) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0030581 k( 326) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0030581 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030581 Dense grid: 64767 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 456, 44) NL pseudopotentials 0.33 Mb ( 228, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1802) G-vector shells 0.00 Mb ( 469) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 456, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./Li2InIr.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.2 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 12.5 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 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.5 secs Computing kpt #: 26 total cpu time spent up to now is 18.1 secs Computing kpt #: 27 total cpu time spent up to now is 18.6 secs Computing kpt #: 28 total cpu time spent up to now is 19.1 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.1 secs Computing kpt #: 31 total cpu time spent up to now is 20.7 secs Computing kpt #: 32 total cpu time spent up to now is 21.2 secs Computing kpt #: 33 total cpu time spent up to now is 21.6 secs Computing kpt #: 34 total cpu time spent up to now is 22.2 secs Computing kpt #: 35 total cpu time spent up to now is 22.7 secs Computing kpt #: 36 total cpu time spent up to now is 23.2 secs Computing kpt #: 37 total cpu time spent up to now is 23.7 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.2 secs Computing kpt #: 41 total cpu time spent up to now is 25.7 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.7 secs Computing kpt #: 44 total cpu time spent up to now is 27.2 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.2 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.2 secs Computing kpt #: 49 total cpu time spent up to now is 29.6 secs Computing kpt #: 50 total cpu time spent up to now is 30.1 secs Computing kpt #: 51 total cpu time spent up to now is 30.6 secs Computing kpt #: 52 total cpu time spent up to now is 31.1 secs Computing kpt #: 53 total cpu time spent up to now is 31.6 secs Computing kpt #: 54 total cpu time spent up to now is 32.0 secs Computing kpt #: 55 total cpu time spent up to now is 32.5 secs Computing kpt #: 56 total cpu time spent up to now is 33.0 secs Computing kpt #: 57 total cpu time spent up to now is 33.5 secs Computing kpt #: 58 total cpu time spent up to now is 34.0 secs Computing kpt #: 59 total cpu time spent up to now is 34.5 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 36.0 secs Computing kpt #: 63 total cpu time spent up to now is 36.6 secs Computing kpt #: 64 total cpu time spent up to now is 37.0 secs Computing kpt #: 65 total cpu time spent up to now is 37.6 secs Computing kpt #: 66 total cpu time spent up to now is 38.1 secs Computing kpt #: 67 total cpu time spent up to now is 38.6 secs Computing kpt #: 68 total cpu time spent up to now is 39.2 secs Computing kpt #: 69 total cpu time spent up to now is 39.7 secs Computing kpt #: 70 total cpu time spent up to now is 40.3 secs Computing kpt #: 71 total cpu time spent up to now is 40.9 secs Computing kpt #: 72 total cpu time spent up to now is 41.5 secs Computing kpt #: 73 total cpu time spent up to now is 42.1 secs Computing kpt #: 74 total cpu time spent up to now is 42.6 secs Computing kpt #: 75 total cpu time spent up to now is 43.2 secs Computing kpt #: 76 total cpu time spent up to now is 43.8 secs Computing kpt #: 77 total cpu time spent up to now is 44.4 secs Computing kpt #: 78 total cpu time spent up to now is 44.9 secs Computing kpt #: 79 total cpu time spent up to now is 45.5 secs Computing kpt #: 80 total cpu time spent up to now is 46.1 secs Computing kpt #: 81 total cpu time spent up to now is 46.7 secs Computing kpt #: 82 total cpu time spent up to now is 47.3 secs Computing kpt #: 83 total cpu time spent up to now is 47.9 secs Computing kpt #: 84 total cpu time spent up to now is 48.5 secs Computing kpt #: 85 total cpu time spent up to now is 49.1 secs Computing kpt #: 86 total cpu time spent up to now is 49.7 secs Computing kpt #: 87 total cpu time spent up to now is 50.3 secs Computing kpt #: 88 total cpu time spent up to now is 50.9 secs Computing kpt #: 89 total cpu time spent up to now is 51.5 secs Computing kpt #: 90 total cpu time spent up to now is 52.1 secs Computing kpt #: 91 total cpu time spent up to now is 52.6 secs Computing kpt #: 92 total cpu time spent up to now is 53.2 secs Computing kpt #: 93 total cpu time spent up to now is 53.7 secs Computing kpt #: 94 total cpu time spent up to now is 54.2 secs Computing kpt #: 95 total cpu time spent up to now is 54.8 secs Computing kpt #: 96 total cpu time spent up to now is 55.3 secs Computing kpt #: 97 total cpu time spent up to now is 55.8 secs Computing kpt #: 98 total cpu time spent up to now is 56.4 secs Computing kpt #: 99 total cpu time spent up to now is 56.9 secs Computing kpt #: 100 total cpu time spent up to now is 57.5 secs Computing kpt #: 101 total cpu time spent up to now is 58.1 secs Computing kpt #: 102 total cpu time spent up to now is 58.7 secs Computing kpt #: 103 total cpu time spent up to now is 59.3 secs Computing kpt #: 104 total cpu time spent up to now is 60.0 secs Computing kpt #: 105 total cpu time spent up to now is 60.7 secs Computing kpt #: 106 total cpu time spent up to now is 61.4 secs Computing kpt #: 107 total cpu time spent up to now is 62.4 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.1 secs Computing kpt #: 109 total cpu time spent up to now is 65.1 secs Computing kpt #: 110 total cpu time spent up to now is 65.9 secs Computing kpt #: 111 total cpu time spent up to now is 66.7 secs Computing kpt #: 112 total cpu time spent up to now is 67.5 secs Computing kpt #: 113 total cpu time spent up to now is 68.2 secs Computing kpt #: 114 total cpu time spent up to now is 68.9 secs Computing kpt #: 115 total cpu time spent up to now is 69.6 secs Computing kpt #: 116 total cpu time spent up to now is 70.3 secs Computing kpt #: 117 total cpu time spent up to now is 71.0 secs Computing kpt #: 118 total cpu time spent up to now is 71.7 secs Computing kpt #: 119 total cpu time spent up to now is 72.3 secs Computing kpt #: 120 total cpu time spent up to now is 72.9 secs Computing kpt #: 121 total cpu time spent up to now is 73.6 secs Computing kpt #: 122 total cpu time spent up to now is 74.3 secs Computing kpt #: 123 total cpu time spent up to now is 74.9 secs Computing kpt #: 124 total cpu time spent up to now is 75.5 secs Computing kpt #: 125 total cpu time spent up to now is 76.2 secs Computing kpt #: 126 total cpu time spent up to now is 76.8 secs Computing kpt #: 127 total cpu time spent up to now is 77.4 secs Computing kpt #: 128 total cpu time spent up to now is 78.0 secs Computing kpt #: 129 total cpu time spent up to now is 78.6 secs Computing kpt #: 130 total cpu time spent up to now is 79.2 secs Computing kpt #: 131 total cpu time spent up to now is 79.8 secs Computing kpt #: 132 total cpu time spent up to now is 80.4 secs Computing kpt #: 133 total cpu time spent up to now is 81.0 secs Computing kpt #: 134 total cpu time spent up to now is 81.6 secs Computing kpt #: 135 total cpu time spent up to now is 82.2 secs Computing kpt #: 136 total cpu time spent up to now is 82.8 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 84.6 secs Computing kpt #: 140 total cpu time spent up to now is 85.2 secs Computing kpt #: 141 total cpu time spent up to now is 85.8 secs Computing kpt #: 142 total cpu time spent up to now is 86.5 secs Computing kpt #: 143 total cpu time spent up to now is 87.1 secs Computing kpt #: 144 total cpu time spent up to now is 87.7 secs Computing kpt #: 145 total cpu time spent up to now is 88.3 secs Computing kpt #: 146 total cpu time spent up to now is 89.0 secs Computing kpt #: 147 total cpu time spent up to now is 89.6 secs Computing kpt #: 148 total cpu time spent up to now is 90.2 secs Computing kpt #: 149 total cpu time spent up to now is 90.9 secs Computing kpt #: 150 total cpu time spent up to now is 91.5 secs Computing kpt #: 151 total cpu time spent up to now is 92.1 secs Computing kpt #: 152 total cpu time spent up to now is 92.8 secs Computing kpt #: 153 total cpu time spent up to now is 93.4 secs Computing kpt #: 154 total cpu time spent up to now is 94.0 secs Computing kpt #: 155 total cpu time spent up to now is 94.6 secs Computing kpt #: 156 total cpu time spent up to now is 95.2 secs Computing kpt #: 157 total cpu time spent up to now is 95.8 secs Computing kpt #: 158 total cpu time spent up to now is 96.4 secs Computing kpt #: 159 total cpu time spent up to now is 97.0 secs Computing kpt #: 160 total cpu time spent up to now is 97.6 secs Computing kpt #: 161 total cpu time spent up to now is 98.2 secs Computing kpt #: 162 total cpu time spent up to now is 98.8 secs Computing kpt #: 163 total cpu time spent up to now is 99.4 secs Computing kpt #: 164 total cpu time spent up to now is 100.0 secs Computing kpt #: 165 total cpu time spent up to now is 100.6 secs Computing kpt #: 166 total cpu time spent up to now is 101.2 secs Computing kpt #: 167 total cpu time spent up to now is 101.8 secs Computing kpt #: 168 total cpu time spent up to now is 102.4 secs Computing kpt #: 169 total cpu time spent up to now is 103.0 secs Computing kpt #: 170 total cpu time spent up to now is 103.6 secs Computing kpt #: 171 total cpu time spent up to now is 104.2 secs Computing kpt #: 172 total cpu time spent up to now is 104.7 secs Computing kpt #: 173 total cpu time spent up to now is 105.3 secs Computing kpt #: 174 total cpu time spent up to now is 105.9 secs Computing kpt #: 175 total cpu time spent up to now is 106.6 secs Computing kpt #: 176 total cpu time spent up to now is 107.1 secs Computing kpt #: 177 total cpu time spent up to now is 107.7 secs Computing kpt #: 178 total cpu time spent up to now is 108.4 secs Computing kpt #: 179 total cpu time spent up to now is 109.0 secs Computing kpt #: 180 total cpu time spent up to now is 109.5 secs Computing kpt #: 181 total cpu time spent up to now is 110.1 secs Computing kpt #: 182 total cpu time spent up to now is 110.7 secs Computing kpt #: 183 total cpu time spent up to now is 111.3 secs Computing kpt #: 184 total cpu time spent up to now is 111.9 secs Computing kpt #: 185 total cpu time spent up to now is 112.5 secs Computing kpt #: 186 total cpu time spent up to now is 113.1 secs Computing kpt #: 187 total cpu time spent up to now is 113.7 secs Computing kpt #: 188 total cpu time spent up to now is 114.3 secs Computing kpt #: 189 total cpu time spent up to now is 114.9 secs Computing kpt #: 190 total cpu time spent up to now is 115.5 secs Computing kpt #: 191 total cpu time spent up to now is 116.1 secs Computing kpt #: 192 total cpu time spent up to now is 116.7 secs Computing kpt #: 193 total cpu time spent up to now is 117.3 secs Computing kpt #: 194 total cpu time spent up to now is 117.9 secs Computing kpt #: 195 total cpu time spent up to now is 118.5 secs Computing kpt #: 196 total cpu time spent up to now is 119.0 secs Computing kpt #: 197 total cpu time spent up to now is 119.6 secs Computing kpt #: 198 total cpu time spent up to now is 120.2 secs Computing kpt #: 199 total cpu time spent up to now is 120.8 secs Computing kpt #: 200 total cpu time spent up to now is 121.3 secs Computing kpt #: 201 total cpu time spent up to now is 121.9 secs Computing kpt #: 202 total cpu time spent up to now is 122.5 secs Computing kpt #: 203 total cpu time spent up to now is 123.1 secs Computing kpt #: 204 total cpu time spent up to now is 123.7 secs Computing kpt #: 205 total cpu time spent up to now is 124.4 secs Computing kpt #: 206 total cpu time spent up to now is 125.0 secs Computing kpt #: 207 total cpu time spent up to now is 125.6 secs Computing kpt #: 208 total cpu time spent up to now is 126.2 secs Computing kpt #: 209 total cpu time spent up to now is 126.8 secs Computing kpt #: 210 total cpu time spent up to now is 127.4 secs Computing kpt #: 211 total cpu time spent up to now is 128.0 secs Computing kpt #: 212 total cpu time spent up to now is 128.6 secs Computing kpt #: 213 total cpu time spent up to now is 129.2 secs Computing kpt #: 214 total cpu time spent up to now is 129.8 secs Computing kpt #: 215 total cpu time spent up to now is 130.4 secs Computing kpt #: 216 total cpu time spent up to now is 130.9 secs Computing kpt #: 217 total cpu time spent up to now is 131.5 secs Computing kpt #: 218 total cpu time spent up to now is 132.1 secs Computing kpt #: 219 total cpu time spent up to now is 132.7 secs Computing kpt #: 220 total cpu time spent up to now is 133.2 secs Computing kpt #: 221 total cpu time spent up to now is 133.7 secs Computing kpt #: 222 total cpu time spent up to now is 134.3 secs Computing kpt #: 223 total cpu time spent up to now is 135.0 secs Computing kpt #: 224 total cpu time spent up to now is 135.7 secs Computing kpt #: 225 total cpu time spent up to now is 136.3 secs Computing kpt #: 226 total cpu time spent up to now is 136.9 secs Computing kpt #: 227 total cpu time spent up to now is 137.5 secs Computing kpt #: 228 total cpu time spent up to now is 138.1 secs Computing kpt #: 229 total cpu time spent up to now is 138.7 secs Computing kpt #: 230 total cpu time spent up to now is 139.3 secs Computing kpt #: 231 total cpu time spent up to now is 139.9 secs Computing kpt #: 232 total cpu time spent up to now is 140.4 secs Computing kpt #: 233 total cpu time spent up to now is 140.9 secs Computing kpt #: 234 total cpu time spent up to now is 141.6 secs Computing kpt #: 235 total cpu time spent up to now is 142.1 secs Computing kpt #: 236 total cpu time spent up to now is 142.7 secs Computing kpt #: 237 total cpu time spent up to now is 143.2 secs Computing kpt #: 238 total cpu time spent up to now is 143.8 secs Computing kpt #: 239 total cpu time spent up to now is 144.4 secs Computing kpt #: 240 total cpu time spent up to now is 145.0 secs Computing kpt #: 241 total cpu time spent up to now is 145.5 secs Computing kpt #: 242 total cpu time spent up to now is 146.1 secs Computing kpt #: 243 total cpu time spent up to now is 146.7 secs Computing kpt #: 244 total cpu time spent up to now is 147.3 secs Computing kpt #: 245 total cpu time spent up to now is 147.9 secs Computing kpt #: 246 total cpu time spent up to now is 148.5 secs Computing kpt #: 247 total cpu time spent up to now is 149.1 secs Computing kpt #: 248 total cpu time spent up to now is 149.7 secs Computing kpt #: 249 total cpu time spent up to now is 150.3 secs Computing kpt #: 250 total cpu time spent up to now is 150.9 secs Computing kpt #: 251 total cpu time spent up to now is 151.5 secs Computing kpt #: 252 total cpu time spent up to now is 152.1 secs Computing kpt #: 253 total cpu time spent up to now is 152.6 secs Computing kpt #: 254 total cpu time spent up to now is 153.2 secs Computing kpt #: 255 total cpu time spent up to now is 153.8 secs Computing kpt #: 256 total cpu time spent up to now is 154.4 secs Computing kpt #: 257 total cpu time spent up to now is 154.9 secs Computing kpt #: 258 total cpu time spent up to now is 155.5 secs Computing kpt #: 259 total cpu time spent up to now is 156.1 secs Computing kpt #: 260 total cpu time spent up to now is 156.7 secs Computing kpt #: 261 total cpu time spent up to now is 157.2 secs Computing kpt #: 262 total cpu time spent up to now is 157.8 secs Computing kpt #: 263 total cpu time spent up to now is 158.3 secs Computing kpt #: 264 total cpu time spent up to now is 158.9 secs Computing kpt #: 265 total cpu time spent up to now is 159.5 secs Computing kpt #: 266 total cpu time spent up to now is 160.1 secs Computing kpt #: 267 total cpu time spent up to now is 160.7 secs Computing kpt #: 268 total cpu time spent up to now is 161.3 secs Computing kpt #: 269 total cpu time spent up to now is 161.9 secs Computing kpt #: 270 total cpu time spent up to now is 162.5 secs Computing kpt #: 271 total cpu time spent up to now is 163.1 secs Computing kpt #: 272 total cpu time spent up to now is 163.6 secs Computing kpt #: 273 total cpu time spent up to now is 164.2 secs Computing kpt #: 274 total cpu time spent up to now is 164.8 secs Computing kpt #: 275 total cpu time spent up to now is 165.4 secs Computing kpt #: 276 total cpu time spent up to now is 166.0 secs Computing kpt #: 277 total cpu time spent up to now is 166.6 secs Computing kpt #: 278 total cpu time spent up to now is 167.2 secs Computing kpt #: 279 total cpu time spent up to now is 167.8 secs Computing kpt #: 280 total cpu time spent up to now is 168.4 secs Computing kpt #: 281 total cpu time spent up to now is 169.0 secs Computing kpt #: 282 total cpu time spent up to now is 169.6 secs Computing kpt #: 283 total cpu time spent up to now is 170.2 secs Computing kpt #: 284 total cpu time spent up to now is 170.7 secs Computing kpt #: 285 total cpu time spent up to now is 171.4 secs Computing kpt #: 286 total cpu time spent up to now is 172.0 secs Computing kpt #: 287 total cpu time spent up to now is 172.6 secs Computing kpt #: 288 total cpu time spent up to now is 173.2 secs Computing kpt #: 289 total cpu time spent up to now is 173.8 secs Computing kpt #: 290 total cpu time spent up to now is 174.4 secs Computing kpt #: 291 total cpu time spent up to now is 175.0 secs Computing kpt #: 292 total cpu time spent up to now is 175.6 secs Computing kpt #: 293 total cpu time spent up to now is 176.2 secs Computing kpt #: 294 total cpu time spent up to now is 176.9 secs Computing kpt #: 295 total cpu time spent up to now is 177.5 secs Computing kpt #: 296 total cpu time spent up to now is 178.2 secs Computing kpt #: 297 total cpu time spent up to now is 178.8 secs Computing kpt #: 298 total cpu time spent up to now is 179.4 secs Computing kpt #: 299 total cpu time spent up to now is 180.0 secs Computing kpt #: 300 total cpu time spent up to now is 180.5 secs Computing kpt #: 301 total cpu time spent up to now is 181.2 secs Computing kpt #: 302 total cpu time spent up to now is 181.7 secs Computing kpt #: 303 total cpu time spent up to now is 182.3 secs Computing kpt #: 304 total cpu time spent up to now is 182.9 secs Computing kpt #: 305 total cpu time spent up to now is 183.5 secs Computing kpt #: 306 total cpu time spent up to now is 184.1 secs Computing kpt #: 307 total cpu time spent up to now is 184.6 secs Computing kpt #: 308 total cpu time spent up to now is 185.1 secs Computing kpt #: 309 total cpu time spent up to now is 185.6 secs Computing kpt #: 310 total cpu time spent up to now is 186.2 secs Computing kpt #: 311 total cpu time spent up to now is 186.7 secs Computing kpt #: 312 total cpu time spent up to now is 187.2 secs Computing kpt #: 313 total cpu time spent up to now is 187.7 secs Computing kpt #: 314 total cpu time spent up to now is 188.2 secs Computing kpt #: 315 total cpu time spent up to now is 188.7 secs Computing kpt #: 316 total cpu time spent up to now is 189.3 secs Computing kpt #: 317 total cpu time spent up to now is 189.8 secs Computing kpt #: 318 total cpu time spent up to now is 190.4 secs Computing kpt #: 319 total cpu time spent up to now is 190.9 secs Computing kpt #: 320 total cpu time spent up to now is 191.4 secs Computing kpt #: 321 total cpu time spent up to now is 191.9 secs Computing kpt #: 322 total cpu time spent up to now is 192.5 secs Computing kpt #: 323 total cpu time spent up to now is 192.9 secs Computing kpt #: 324 total cpu time spent up to now is 193.5 secs Computing kpt #: 325 total cpu time spent up to now is 194.0 secs Computing kpt #: 326 total cpu time spent up to now is 194.5 secs Computing kpt #: 327 total cpu time spent up to now is 195.0 secs ethr = 2.78E-08, avg # of iterations = 16.7 total cpu time spent up to now is 195.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8855 -4.8855 -4.8855 -4.8855 -4.0715 -4.0715 -4.0262 -4.0262 -4.0262 -4.0262 1.9184 1.9184 6.8724 6.8724 6.8724 6.8724 7.3816 7.3816 8.3931 8.3931 8.3931 8.3931 13.3149 13.3149 13.7417 13.7417 13.7417 13.7417 14.2941 14.2941 14.5138 14.5138 k = 0.0102-0.0059 0.0083 ( 7999 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8857 -4.8857 -4.8853 -4.8853 -4.0715 -4.0715 -4.0265 -4.0265 -4.0259 -4.0259 1.9197 1.9197 6.8701 6.8701 6.8748 6.8748 7.3815 7.3815 8.3892 8.3892 8.3960 8.3960 13.3067 13.3067 13.7312 13.7312 13.7376 13.7376 14.2716 14.2716 14.5299 14.5299 k = 0.0204-0.0118 0.0167 ( 8019 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8860 -4.8860 -4.8851 -4.8851 -4.0714 -4.0714 -4.0268 -4.0268 -4.0256 -4.0256 1.9237 1.9237 6.8677 6.8677 6.8773 6.8773 7.3814 7.3814 8.3839 8.3839 8.3981 8.3981 13.2818 13.2818 13.7012 13.7012 13.7260 13.7260 14.2164 14.2164 14.5664 14.5664 k = 0.0306-0.0177 0.0250 ( 8035 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8862 -4.8862 -4.8848 -4.8848 -4.0714 -4.0714 -4.0271 -4.0271 -4.0253 -4.0253 1.9304 1.9304 6.8652 6.8652 6.8800 6.8800 7.3813 7.3813 8.3771 8.3771 8.3997 8.3997 13.2394 13.2394 13.6533 13.6533 13.7095 13.7095 14.1436 14.1436 14.6099 14.6099 k = 0.0408-0.0236 0.0333 ( 8035 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8864 -4.8864 -4.8846 -4.8846 -4.0713 -4.0713 -4.0273 -4.0273 -4.0250 -4.0250 1.9397 1.9397 6.8625 6.8625 6.8830 6.8830 7.3811 7.3811 8.3686 8.3686 8.4011 8.4011 13.1796 13.1796 13.5900 13.5900 13.6906 13.6906 14.0610 14.0610 14.6550 14.6550 k = 0.0510-0.0295 0.0417 ( 8039 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8866 -4.8866 -4.8844 -4.8844 -4.0712 -4.0712 -4.0276 -4.0276 -4.0247 -4.0247 1.9516 1.9516 6.8595 6.8595 6.8863 6.8863 7.3809 7.3809 8.3582 8.3582 8.4023 8.4023 13.1034 13.1034 13.5136 13.5136 13.6694 13.6694 13.9738 13.9738 14.7005 14.7005 k = 0.0612-0.0353 0.0500 ( 8055 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8868 -4.8868 -4.8841 -4.8841 -4.0710 -4.0710 -4.0278 -4.0278 -4.0244 -4.0244 1.9662 1.9662 6.8561 6.8561 6.8901 6.8901 7.3808 7.3808 8.3461 8.3461 8.4035 8.4035 13.0132 13.0132 13.4262 13.4262 13.6412 13.6412 13.8890 13.8890 14.7463 14.7463 k = 0.0714-0.0412 0.0583 ( 8055 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8869 -4.8869 -4.8839 -4.8839 -4.0709 -4.0709 -4.0280 -4.0280 -4.0241 -4.0241 1.9835 1.9835 6.8522 6.8522 6.8943 6.8943 7.3808 7.3808 8.3323 8.3323 8.4048 8.4048 12.9116 12.9116 13.3297 13.3297 13.5947 13.5947 13.8190 13.8190 14.7927 14.7927 k = 0.0816-0.0471 0.0667 ( 8051 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8871 -4.8871 -4.8837 -4.8837 -4.0707 -4.0707 -4.0282 -4.0282 -4.0237 -4.0237 2.0034 2.0034 6.8478 6.8478 6.8989 6.8989 7.3811 7.3811 8.3169 8.3169 8.4061 8.4061 12.8013 12.8013 13.2259 13.2259 13.5181 13.5181 13.7755 13.7755 14.8398 14.8398 k = 0.0918-0.0530 0.0750 ( 8067 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8873 -4.8873 -4.8834 -4.8834 -4.0705 -4.0705 -4.0284 -4.0284 -4.0234 -4.0234 2.0259 2.0259 6.8427 6.8427 6.9041 6.9041 7.3815 7.3815 8.3001 8.3001 8.4075 8.4075 12.6844 12.6844 13.1161 13.1161 13.4151 13.4151 13.7549 13.7549 14.8876 14.8876 k = 0.1020-0.0589 0.0833 ( 8067 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8874 -4.8874 -4.8832 -4.8832 -4.0702 -4.0702 -4.0286 -4.0286 -4.0231 -4.0231 2.0510 2.0510 6.8368 6.8368 6.9099 6.9099 7.3824 7.3824 8.2819 8.2819 8.4090 8.4090 12.5624 12.5624 13.0016 13.0016 13.2957 13.2957 13.7471 13.7471 14.9354 14.9354 k = 0.1122-0.0648 0.0916 ( 8072 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6082 -34.6082 -34.6081 -34.6081 -4.8876 -4.8876 -4.8830 -4.8830 -4.0700 -4.0700 -4.0288 -4.0288 -4.0227 -4.0227 2.0787 2.0787 6.8301 6.8301 6.9163 6.9163 7.3837 7.3837 8.2626 8.2626 8.4107 8.4107 12.4368 12.4368 12.8835 12.8835 13.1662 13.1662 13.7461 13.7461 14.9816 14.9816 k = 0.1224-0.0707 0.1000 ( 8068 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6082 -34.6082 -34.6081 -34.6081 -4.8877 -4.8877 -4.8827 -4.8827 -4.0698 -4.0698 -4.0289 -4.0289 -4.0224 -4.0224 2.1090 2.1090 6.8224 6.8224 6.9233 6.9233 7.3855 7.3855 8.2423 8.2423 8.4125 8.4125 12.3084 12.3084 12.7627 12.7627 13.0297 13.0297 13.7490 13.7490 15.0229 15.0229 k = 0.1327-0.0766 0.1083 ( 8068 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7977 -35.7977 -34.6082 -34.6082 -34.6081 -34.6081 -4.8878 -4.8878 -4.8825 -4.8825 -4.0695 -4.0695 -4.0290 -4.0290 -4.0221 -4.0221 2.1419 2.1419 6.8137 6.8137 6.9309 6.9309 7.3879 7.3879 8.2213 8.2213 8.4144 8.4144 12.1779 12.1779 12.6399 12.6399 12.8879 12.8879 13.7544 13.7544 15.0527 15.0527 k = 0.1429-0.0825 0.1166 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7977 -35.7977 -34.6082 -34.6082 -34.6081 -34.6081 -4.8879 -4.8879 -4.8823 -4.8823 -4.0692 -4.0692 -4.0291 -4.0291 -4.0217 -4.0217 2.1774 2.1774 6.8037 6.8037 6.9392 6.9392 7.3911 7.3911 8.1998 8.1998 8.4165 8.4165 12.0460 12.0460 12.5156 12.5156 12.7421 12.7421 13.7614 13.7614 15.0624 15.0624 k = 0.1531-0.0884 0.1250 ( 8068 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7977 -35.7977 -34.6082 -34.6082 -34.6081 -34.6081 -4.8880 -4.8880 -4.8821 -4.8821 -4.0689 -4.0689 -4.0292 -4.0292 -4.0214 -4.0214 2.2153 2.2153 6.7925 6.7925 6.9481 6.9481 7.3950 7.3950 8.1781 8.1781 8.4188 8.4188 11.9130 11.9130 12.3905 12.3905 12.5933 12.5933 13.7696 13.7696 15.0495 15.0495 k = 0.1633-0.0943 0.1333 ( 8068 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7978 -34.6082 -34.6082 -34.6081 -34.6081 -4.8881 -4.8881 -4.8818 -4.8818 -4.0686 -4.0686 -4.0293 -4.0293 -4.0210 -4.0210 2.2558 2.2558 6.7799 6.7799 6.9578 6.9578 7.3999 7.3999 8.1562 8.1562 8.4212 8.4212 11.7792 11.7792 12.2648 12.2648 12.4423 12.4424 13.7787 13.7787 15.0206 15.0206 k = 0.1735-0.1002 0.1416 ( 8068 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7978 -34.6082 -34.6082 -34.6080 -34.6080 -4.8882 -4.8882 -4.8816 -4.8816 -4.0683 -4.0683 -4.0294 -4.0294 -4.0207 -4.0207 2.2988 2.2988 6.7657 6.7657 6.9682 6.9682 7.4057 7.4057 8.1346 8.1346 8.4238 8.4238 11.6449 11.6449 12.1388 12.1388 12.2902 12.2902 13.7885 13.7885 14.9839 14.9839 k = 0.1837-0.1060 0.1500 ( 8072 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7979 -35.7979 -34.6083 -34.6083 -34.6080 -34.6080 -4.8883 -4.8883 -4.8814 -4.8814 -4.0680 -4.0680 -4.0294 -4.0294 -4.0203 -4.0203 2.3443 2.3443 6.7500 6.7500 6.9793 6.9793 7.4125 7.4125 8.1135 8.1135 8.4265 8.4265 11.5100 11.5100 12.0129 12.0129 12.1378 12.1378 13.7987 13.7987 14.9444 14.9444 k = 0.1939-0.1119 0.1583 ( 8088 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7979 -35.7979 -34.6083 -34.6083 -34.6080 -34.6080 -4.8883 -4.8883 -4.8812 -4.8812 -4.0677 -4.0677 -4.0294 -4.0294 -4.0200 -4.0200 2.3922 2.3922 6.7325 6.7325 6.9911 6.9911 7.4204 7.4204 8.0930 8.0930 8.4294 8.4294 11.3749 11.3749 11.8869 11.8869 11.9860 11.9860 13.8093 13.8093 14.9045 14.9045 k = 0.2041-0.1178 0.1666 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6083 -34.6083 -34.6080 -34.6080 -4.8884 -4.8883 -4.8811 -4.8811 -4.0674 -4.0674 -4.0295 -4.0295 -4.0196 -4.0196 2.4425 2.4425 6.7132 6.7132 7.0037 7.0037 7.4294 7.4294 8.0735 8.0735 8.4324 8.4324 11.2395 11.2395 11.7607 11.7607 11.8359 11.8359 13.8202 13.8202 14.8654 14.8654 k = 0.2143-0.1237 0.1750 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6083 -34.6083 -34.6080 -34.6080 -4.8884 -4.8884 -4.8809 -4.8809 -4.0671 -4.0671 -4.0295 -4.0295 -4.0192 -4.0192 2.4952 2.4952 6.6920 6.6920 7.0170 7.0170 7.4395 7.4395 8.0551 8.0551 8.4356 8.4356 11.1038 11.1038 11.6334 11.6334 11.6894 11.6894 13.8312 13.8312 14.8279 14.8279 k = 0.2245-0.1296 0.1833 ( 8092 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6083 -34.6083 -34.6080 -34.6080 -4.8884 -4.8884 -4.8807 -4.8807 -4.0668 -4.0668 -4.0295 -4.0295 -4.0188 -4.0188 2.5502 2.5502 6.6688 6.6688 7.0311 7.0311 7.4507 7.4507 8.0383 8.0383 8.4390 8.4390 10.9681 10.9681 11.5029 11.5029 11.5494 11.5494 13.8423 13.8423 14.7922 14.7922 k = 0.2347-0.1355 0.1916 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7981 -34.6083 -34.6083 -34.6080 -34.6080 -4.8884 -4.8884 -4.8806 -4.8806 -4.0665 -4.0665 -4.0294 -4.0294 -4.0184 -4.0184 2.6074 2.6074 6.6434 6.6434 7.0458 7.0458 7.4631 7.4631 8.0232 8.0232 8.4425 8.4425 10.8322 10.8322 11.3675 11.3675 11.4180 11.4180 13.8535 13.8535 14.7583 14.7583 k = 0.2449-0.1414 0.2000 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7981 -34.6084 -34.6084 -34.6080 -34.6080 -4.8884 -4.8884 -4.8804 -4.8804 -4.0662 -4.0662 -4.0294 -4.0294 -4.0181 -4.0181 2.6669 2.6669 6.6159 6.6159 7.0613 7.0613 7.4764 7.4764 8.0101 8.0101 8.4461 8.4461 10.6965 10.6965 11.2297 11.2297 11.2933 11.2933 13.8647 13.8647 14.7262 14.7262 k = 0.2551-0.1473 0.2083 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7982 -35.7982 -34.6084 -34.6084 -34.6080 -34.6080 -4.8884 -4.8884 -4.8803 -4.8803 -4.0660 -4.0660 -4.0294 -4.0294 -4.0177 -4.0177 2.7286 2.7286 6.5861 6.5861 7.0774 7.0774 7.4908 7.4908 7.9992 7.9992 8.4499 8.4499 10.5610 10.5610 11.0927 11.0927 11.1728 11.1728 13.8758 13.8758 14.6960 14.6960 k = 0.2653-0.1532 0.2166 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7982 -35.7982 -34.6084 -34.6084 -34.6080 -34.6080 -4.8884 -4.8883 -4.8801 -4.8801 -4.0657 -4.0657 -4.0293 -4.0293 -4.0173 -4.0173 2.7924 2.7924 6.5540 6.5540 7.0942 7.0942 7.5062 7.5062 7.9908 7.9908 8.4539 8.4539 10.4261 10.4261 10.9584 10.9584 11.0549 11.0549 13.8869 13.8869 14.6675 14.6675 k = 0.2755-0.1591 0.2250 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7982 -35.7982 -34.6084 -34.6084 -34.6080 -34.6080 -4.8883 -4.8883 -4.8800 -4.8800 -4.0654 -4.0654 -4.0293 -4.0293 -4.0169 -4.0169 2.8582 2.8582 6.5195 6.5195 7.1117 7.1117 7.5224 7.5224 7.9851 7.9851 8.4580 8.4580 10.2921 10.2921 10.8273 10.8273 10.9392 10.9392 13.8979 13.8979 14.6406 14.6406 k = 0.2857-0.1650 0.2333 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6084 -34.6084 -34.6080 -34.6080 -4.8883 -4.8883 -4.8799 -4.8799 -4.0651 -4.0651 -4.0293 -4.0293 -4.0164 -4.0164 2.9260 2.9260 6.4826 6.4826 7.1297 7.1297 7.5394 7.5394 7.9823 7.9823 8.4623 8.4623 10.1594 10.1594 10.6998 10.6998 10.8256 10.8256 13.9088 13.9088 14.6154 14.6154 k = 0.2959-0.1708 0.2416 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6084 -34.6084 -34.6080 -34.6080 -4.8882 -4.8882 -4.8798 -4.8798 -4.0649 -4.0649 -4.0292 -4.0292 -4.0160 -4.0160 2.9956 2.9956 6.4432 6.4432 7.1483 7.1483 7.5570 7.5570 7.9826 7.9826 8.4667 8.4667 10.0284 10.0285 10.5761 10.5762 10.7140 10.7140 13.9196 13.9196 14.5916 14.5916 k = 0.3061-0.1767 0.2499 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6085 -34.6085 -34.6080 -34.6080 -4.8881 -4.8881 -4.8797 -4.8797 -4.0646 -4.0646 -4.0292 -4.0292 -4.0156 -4.0156 3.0670 3.0670 6.4014 6.4014 7.1675 7.1675 7.5752 7.5752 7.9862 7.9862 8.4714 8.4714 9.8998 9.8998 10.4563 10.4563 10.6044 10.6044 13.9302 13.9302 14.5692 14.5692 k = 0.3163-0.1826 0.2583 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6085 -34.6085 -34.6080 -34.6080 -4.8881 -4.8881 -4.8797 -4.8797 -4.0644 -4.0644 -4.0291 -4.0291 -4.0152 -4.0152 3.1400 3.1400 6.3570 6.3570 7.1871 7.1871 7.5937 7.5937 7.9932 7.9932 8.4762 8.4762 9.7740 9.7740 10.3402 10.3402 10.4969 10.4969 13.9406 13.9406 14.5482 14.5482 k = 0.3265-0.1885 0.2666 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6085 -34.6085 -34.6080 -34.6080 -4.8880 -4.8880 -4.8796 -4.8796 -4.0641 -4.0641 -4.0291 -4.0291 -4.0148 -4.0148 3.2145 3.2145 6.3102 6.3102 7.2072 7.2072 7.6125 7.6125 8.0036 8.0036 8.4813 8.4813 9.6516 9.6516 10.2279 10.2279 10.3916 10.3916 13.9509 13.9509 14.5284 14.5284 k = 0.3367-0.1944 0.2749 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7985 -35.7985 -34.6085 -34.6085 -34.6080 -34.6080 -4.8879 -4.8879 -4.8795 -4.8795 -4.0639 -4.0639 -4.0290 -4.0290 -4.0144 -4.0144 3.2904 3.2904 6.2609 6.2609 7.2277 7.2277 7.6314 7.6314 8.0175 8.0175 8.4867 8.4867 9.5332 9.5332 10.1193 10.1193 10.2884 10.2884 13.9609 13.9609 14.5098 14.5098 k = 0.3469-0.2003 0.2833 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7985 -35.7985 -34.6085 -34.6085 -34.6080 -34.6080 -4.8878 -4.8878 -4.8795 -4.8795 -4.0637 -4.0637 -4.0290 -4.0290 -4.0140 -4.0140 3.3674 3.3674 6.2093 6.2093 7.2487 7.2487 7.6502 7.6502 8.0348 8.0348 8.4925 8.4925 9.4193 9.4193 10.0143 10.0143 10.1875 10.1875 13.9707 13.9707 14.4923 14.4923 k = 0.3571-0.2062 0.2916 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7986 -35.7986 -34.6085 -34.6085 -34.6080 -34.6080 -4.8877 -4.8877 -4.8795 -4.8795 -4.0635 -4.0635 -4.0290 -4.0290 -4.0137 -4.0137 3.4453 3.4453 6.1554 6.1554 7.2702 7.2702 7.6687 7.6687 8.0554 8.0554 8.4986 8.4987 9.3106 9.3106 9.9130 9.9130 10.0890 10.0890 13.9802 13.9802 14.4759 14.4759 k = 0.3673-0.2121 0.2999 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7986 -35.7986 -34.6085 -34.6085 -34.6080 -34.6080 -4.8876 -4.8876 -4.8794 -4.8794 -4.0633 -4.0633 -4.0290 -4.0290 -4.0133 -4.0133 3.5239 3.5239 6.0994 6.0994 7.2920 7.2920 7.6866 7.6866 8.0791 8.0791 8.5053 8.5054 9.2076 9.2076 9.8154 9.8154 9.9930 9.9930 13.9894 13.9894 14.4605 14.4605 k = 0.3776-0.2180 0.3083 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7986 -35.7986 -34.6086 -34.6086 -34.6080 -34.6080 -4.8875 -4.8875 -4.8794 -4.8794 -4.0631 -4.0631 -4.0289 -4.0289 -4.0130 -4.0130 3.6029 3.6029 6.0415 6.0415 7.3143 7.3143 7.7036 7.7036 8.1057 8.1057 8.5127 8.5127 9.1110 9.1110 9.7215 9.7215 9.8995 9.8995 13.9983 13.9983 14.4462 14.4462 k = 0.3878-0.2239 0.3166 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7986 -35.7986 -34.6086 -34.6086 -34.6080 -34.6080 -4.8874 -4.8874 -4.8794 -4.8794 -4.0630 -4.0630 -4.0289 -4.0289 -4.0126 -4.0126 3.6818 3.6818 5.9820 5.9820 7.3371 7.3371 7.7193 7.7193 8.1348 8.1348 8.5208 8.5208 9.0214 9.0214 9.6314 9.6314 9.8087 9.8087 14.0068 14.0068 14.4328 14.4328 k = 0.3980-0.2298 0.3249 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7987 -35.7987 -34.6086 -34.6086 -34.6080 -34.6080 -4.8873 -4.8873 -4.8794 -4.8794 -4.0628 -4.0628 -4.0289 -4.0289 -4.0123 -4.0123 3.7603 3.7603 5.9214 5.9214 7.3604 7.3604 7.7332 7.7332 8.1662 8.1662 8.5298 8.5298 8.9394 8.9394 9.5454 9.5454 9.7208 9.7208 14.0149 14.0149 14.4205 14.4205 k = 0.4082-0.2357 0.3333 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7987 -35.7987 -34.6086 -34.6086 -34.6080 -34.6080 -4.8872 -4.8872 -4.8794 -4.8794 -4.0627 -4.0627 -4.0289 -4.0289 -4.0120 -4.0120 3.8377 3.8377 5.8601 5.8601 7.3841 7.3841 7.7446 7.7446 8.1993 8.1993 8.5399 8.5399 8.8656 8.8656 9.4636 9.4636 9.6360 9.6360 14.0225 14.0225 14.4091 14.4091 k = 0.4184-0.2415 0.3416 ( 8140 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7987 -35.7987 -34.6086 -34.6086 -34.6080 -34.6080 -4.8871 -4.8871 -4.8794 -4.8794 -4.0625 -4.0625 -4.0289 -4.0289 -4.0118 -4.0118 3.9134 3.9134 5.7988 5.7988 7.4083 7.4083 7.7530 7.7530 8.2337 8.2337 8.5512 8.5512 8.8007 8.8007 9.3865 9.3865 9.5544 9.5544 14.0296 14.0296 14.3988 14.3988 k = 0.4286-0.2474 0.3499 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8871 -4.8871 -4.8794 -4.8794 -4.0624 -4.0624 -4.0289 -4.0289 -4.0115 -4.0115 3.9864 3.9864 5.7385 5.7385 7.4328 7.4328 7.7577 7.7577 8.2686 8.2686 8.5637 8.5637 8.7452 8.7452 9.3147 9.3147 9.4766 9.4766 14.0361 14.0361 14.3896 14.3896 k = 0.4388-0.2533 0.3583 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8870 -4.8870 -4.8794 -4.8794 -4.0623 -4.0623 -4.0288 -4.0288 -4.0113 -4.0113 4.0556 4.0556 5.6802 5.6802 7.4576 7.4576 7.7584 7.7584 8.3034 8.3034 8.5771 8.5771 8.6995 8.6995 9.2489 9.2489 9.4029 9.4029 14.0420 14.0420 14.3814 14.3814 k = 0.4490-0.2592 0.3666 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8869 -4.8869 -4.8794 -4.8794 -4.0622 -4.0622 -4.0288 -4.0288 -4.0111 -4.0111 4.1196 4.1196 5.6253 5.6253 7.4823 7.4823 7.7549 7.7549 8.3367 8.3367 8.5908 8.5908 8.6642 8.6642 9.1904 9.1904 9.3340 9.3340 14.0471 14.0471 14.3743 14.3743 k = 0.4592-0.2651 0.3749 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8869 -4.8869 -4.8794 -4.8794 -4.0622 -4.0622 -4.0288 -4.0288 -4.0110 -4.0110 4.1767 4.1767 5.5757 5.5757 7.5064 7.5064 7.7475 7.7475 8.3673 8.3673 8.6034 8.6034 8.6397 8.6397 9.1408 9.1408 9.2708 9.2708 14.0514 14.0514 14.3684 14.3684 k = 0.4694-0.2710 0.3833 ( 8148 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0621 -4.0621 -4.0288 -4.0288 -4.0109 -4.0109 4.2247 4.2247 5.5335 5.5335 7.5290 7.5290 7.7374 7.7374 8.3933 8.3933 8.6116 8.6116 8.6274 8.6274 9.1022 9.1022 9.2148 9.2148 14.0548 14.0548 14.3638 14.3638 k = 0.4796-0.2769 0.3916 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0621 -4.0621 -4.0288 -4.0288 -4.0108 -4.0108 4.2614 4.2614 5.5009 5.5009 7.5486 7.5486 7.7264 7.7264 8.4127 8.4127 8.6133 8.6133 8.6269 8.6269 9.0767 9.0767 9.1681 9.1681 14.0574 14.0574 14.3604 14.3604 k = 0.4898-0.2828 0.3999 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0620 -4.0620 -4.0288 -4.0288 -4.0107 -4.0107 4.2845 4.2845 5.4802 5.4802 7.5626 7.5626 7.7173 7.7173 8.4245 8.4245 8.6166 8.6166 8.6265 8.6265 9.0646 9.0646 9.1347 9.1347 14.0589 14.0589 14.3584 14.3584 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0620 -4.0620 -4.0288 -4.0288 -4.0107 -4.0107 4.2924 4.2924 5.4731 5.4731 7.5678 7.5678 7.7137 7.7137 8.4284 8.4284 8.6222 8.6222 8.6223 8.6223 9.0620 9.0620 9.1218 9.1218 14.0594 14.0594 14.3577 14.3577 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0620 -4.0620 -4.0288 -4.0288 -4.0107 -4.0107 4.2924 4.2924 5.4731 5.4731 7.5678 7.5678 7.7137 7.7137 8.4284 8.4284 8.6222 8.6222 8.6223 8.6223 9.0620 9.0620 9.1218 9.1218 14.0594 14.0594 14.3577 14.3577 k = 0.5000-0.2771 0.4164 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8870 -4.8866 -4.8798 -4.8790 -4.0620 -4.0620 -4.0292 -4.0284 -4.0109 -4.0105 4.2901 4.2945 5.4729 5.4760 7.5545 7.5805 7.7005 7.7245 8.4240 8.4310 8.5435 8.6199 8.6243 8.6907 9.0439 9.0737 9.1088 9.1557 14.0613 14.0633 14.3591 14.3606 k = 0.5000-0.2656 0.4246 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7987 -34.6086 -34.6086 -34.6081 -34.6079 -4.8871 -4.8864 -4.8802 -4.8786 -4.0620 -4.0620 -4.0296 -4.0281 -4.0112 -4.0104 4.2877 4.2964 5.4752 5.4813 7.5404 7.5923 7.6845 7.7332 8.4181 8.4304 8.4610 8.6174 8.6256 8.7395 9.0393 9.0772 9.1065 9.2065 14.0690 14.0731 14.3646 14.3675 k = 0.5000-0.2540 0.4327 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7987 -34.6087 -34.6086 -34.6081 -34.6079 -4.8873 -4.8862 -4.8807 -4.8782 -4.0620 -4.0620 -4.0299 -4.0277 -4.0115 -4.0103 4.2850 4.2981 5.4801 5.4893 7.5254 7.6031 7.6656 7.7404 8.3712 8.4108 8.4332 8.6151 8.6258 8.7607 9.0613 9.0775 9.1101 9.2656 14.0825 14.0886 14.3742 14.3786 k = 0.5000-0.2425 0.4409 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7987 -34.6087 -34.6086 -34.6081 -34.6078 -4.8875 -4.8860 -4.8811 -4.8778 -4.0620 -4.0619 -4.0302 -4.0272 -4.0118 -4.0102 4.2822 4.2996 5.4875 5.4998 7.5089 7.6122 7.6439 7.7465 8.2851 8.4025 8.4304 8.6131 8.6242 8.7599 9.0765 9.0903 9.1345 9.3292 14.1019 14.1100 14.3881 14.3937 k = 0.5000-0.2309 0.4491 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7986 -34.6087 -34.6086 -34.6082 -34.6078 -4.8877 -4.8858 -4.8815 -4.8775 -4.0619 -4.0619 -4.0306 -4.0268 -4.0121 -4.0102 4.2793 4.3009 5.4974 5.5128 7.4901 7.6189 7.6200 7.7518 8.1999 8.3936 8.4263 8.6115 8.6204 8.7497 9.0750 9.0987 9.1948 9.3952 14.1270 14.1372 14.4062 14.4128 k = 0.5000-0.2194 0.4572 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7986 -34.6087 -34.6087 -34.6082 -34.6077 -4.8878 -4.8856 -4.8819 -4.8771 -4.0619 -4.0618 -4.0309 -4.0264 -4.0125 -4.0102 4.2762 4.3019 5.5099 5.5284 7.4676 7.5951 7.6221 7.7565 8.1177 8.3846 8.4207 8.6105 8.6141 8.7388 9.0731 9.1014 9.2670 9.4623 14.1581 14.1703 14.4286 14.4360 k = 0.5000-0.2078 0.4654 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7986 -34.6087 -34.6087 -34.6082 -34.6077 -4.8880 -4.8854 -4.8823 -4.8767 -4.0618 -4.0617 -4.0312 -4.0260 -4.0129 -4.0102 4.2731 4.3028 5.5247 5.5464 7.4397 7.5711 7.6198 7.7604 8.0414 8.3761 8.4137 8.6056 8.6101 8.7307 9.0710 9.1030 9.3422 9.5294 14.1950 14.2092 14.4551 14.4631 k = 0.5000-0.1963 0.4736 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6088 -34.6087 -34.6082 -34.6076 -4.8881 -4.8852 -4.8826 -4.8764 -4.0618 -4.0616 -4.0315 -4.0256 -4.0133 -4.0103 4.2699 4.3035 5.5420 5.5670 7.4049 7.5495 7.6093 7.7626 7.9753 8.3686 8.4053 8.5956 8.6102 8.7260 9.0687 9.1039 9.4175 9.5958 14.2378 14.2539 14.4859 14.4941 k = 0.5000-0.1848 0.4817 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6088 -34.6087 -34.6082 -34.6076 -4.8883 -4.8850 -4.8830 -4.8761 -4.0617 -4.0615 -4.0317 -4.0251 -4.0138 -4.0104 4.2667 4.3040 5.5616 5.5899 7.3631 7.5313 7.5863 7.7614 7.9254 8.3625 8.3956 8.5850 8.6109 8.7241 9.0662 9.1043 9.4913 9.6609 14.2863 14.3042 14.5208 14.5289 k = 0.5000-0.1732 0.4899 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6089 -34.6087 -34.6082 -34.6075 -4.8884 -4.8848 -4.8834 -4.8758 -4.0616 -4.0614 -4.0320 -4.0247 -4.0142 -4.0105 4.2635 4.3044 5.5834 5.6152 7.3151 7.5161 7.5477 7.7559 7.8965 8.3580 8.3849 8.5745 8.6121 8.7244 9.0635 9.1043 9.5629 9.7241 14.3406 14.3602 14.5599 14.5676 k = 0.5000-0.1617 0.4981 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6089 -34.6087 -34.6082 -34.6075 -4.8885 -4.8846 -4.8837 -4.8755 -4.0615 -4.0613 -4.0322 -4.0242 -4.0146 -4.0107 4.2603 4.3046 5.6075 5.6428 7.2621 7.4938 7.5033 7.7479 7.8867 8.3553 8.3732 8.5643 8.6136 8.7263 9.0607 9.1038 9.6315 9.7849 14.4004 14.4216 14.6030 14.6099 k = 0.5000-0.1501 0.5062 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6089 -34.6087 -34.6082 -34.6074 -4.8886 -4.8845 -4.8841 -4.8752 -4.0615 -4.0611 -4.0324 -4.0238 -4.0151 -4.0109 4.2572 4.3047 5.6337 5.6727 7.2055 7.4289 7.4923 7.7401 7.8892 8.3542 8.3607 8.5545 8.6155 8.7292 9.0577 9.1028 9.6967 9.8429 14.4656 14.4881 14.6500 14.6560 k = 0.5000-0.1386 0.5144 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6090 -34.6087 -34.6082 -34.6074 -4.8887 -4.8844 -4.8843 -4.8749 -4.0614 -4.0610 -4.0326 -4.0234 -4.0156 -4.0111 4.2541 4.3047 5.6619 5.7046 7.1463 7.3576 7.4829 7.7338 7.8984 8.3474 8.3547 8.5453 8.6177 8.7330 9.0545 9.1012 9.7581 9.8978 14.5359 14.5591 14.7007 14.7057 k = 0.5000-0.1270 0.5226 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6090 -34.6087 -34.6082 -34.6073 -4.8888 -4.8847 -4.8842 -4.8747 -4.0613 -4.0609 -4.0328 -4.0229 -4.0160 -4.0113 4.2512 4.3046 5.6918 5.7385 7.0857 7.2833 7.4745 7.7287 7.9113 8.3336 8.3567 8.5365 8.6201 8.7373 9.0513 9.0993 9.8154 9.9491 14.6107 14.6338 14.7549 14.7592 k = 0.5000-0.1155 0.5307 ( 8106 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6090 -34.6087 -34.6082 -34.6073 -4.8889 -4.8850 -4.8840 -4.8744 -4.0612 -4.0607 -4.0329 -4.0225 -4.0164 -4.0116 4.2484 4.3044 5.7234 5.7741 7.0244 7.2083 7.4672 7.7246 7.9264 8.3192 8.3598 8.5282 8.6226 8.7420 9.0481 9.0969 9.8684 9.9967 14.6896 14.7107 14.8125 14.8171 k = 0.5000-0.1039 0.5389 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6082 -34.6073 -4.8889 -4.8852 -4.8839 -4.8742 -4.0612 -4.0606 -4.0331 -4.0221 -4.0168 -4.0119 4.2458 4.3042 5.7564 5.8113 6.9633 7.1340 7.4608 7.7212 7.9428 8.3045 8.3638 8.5201 8.6251 8.7470 9.0448 9.0941 9.9167 10.0404 14.7715 14.7873 14.8730 14.8807 k = 0.5000-0.0924 0.5471 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6082 -34.6072 -4.8890 -4.8855 -4.8838 -4.8740 -4.0611 -4.0605 -4.0332 -4.0216 -4.0172 -4.0121 4.2434 4.3039 5.7903 5.8497 6.9032 7.0614 7.4551 7.7183 7.9599 8.2895 8.3686 8.5124 8.6276 8.7522 9.0417 9.0911 9.9604 10.0798 14.8550 14.8602 14.9363 14.9517 k = 0.5000-0.0808 0.5552 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6082 -34.6072 -4.8890 -4.8857 -4.8837 -4.8739 -4.0610 -4.0604 -4.0333 -4.0212 -4.0176 -4.0124 4.2413 4.3036 5.8248 5.8888 6.8448 6.9914 7.4502 7.7158 7.9773 8.2744 8.3740 8.5050 8.6301 8.7572 9.0386 9.0880 9.9992 10.1149 14.9270 14.9379 15.0024 15.0305 k = 0.5000-0.0693 0.5634 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6082 -34.6072 -4.8891 -4.8859 -4.8836 -4.8737 -4.0610 -4.0603 -4.0333 -4.0209 -4.0179 -4.0127 4.2393 4.3034 5.8593 5.9280 6.7893 6.9250 7.4459 7.7136 7.9946 8.2593 8.3796 8.4980 8.6323 8.7621 9.0358 9.0848 10.0329 10.1456 14.9875 15.0166 15.0720 15.1143 k = 0.5000-0.0577 0.5715 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8891 -4.8861 -4.8835 -4.8736 -4.0609 -4.0602 -4.0334 -4.0205 -4.0182 -4.0130 4.2376 4.3031 5.8927 5.9664 6.7375 6.8634 7.4424 7.7118 8.0115 8.2445 8.3853 8.4913 8.6344 8.7666 9.0332 9.0817 10.0616 10.1717 15.0421 15.0872 15.1449 15.1989 k = 0.5000-0.0462 0.5797 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8862 -4.8834 -4.8735 -4.0609 -4.0601 -4.0335 -4.0202 -4.0185 -4.0132 4.2363 4.3029 5.9241 6.0027 6.6909 6.8079 7.4395 7.7104 8.0274 8.2304 8.3908 8.4852 8.6361 8.7706 9.0310 9.0789 10.0852 10.1931 15.0903 15.1484 15.2171 15.2801 k = 0.5000-0.0346 0.5879 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8891 -4.8863 -4.8834 -4.8734 -4.0609 -4.0600 -4.0335 -4.0199 -4.0187 -4.0134 4.2352 4.3027 5.9518 6.0351 6.6513 6.7604 7.4372 7.7092 8.0418 8.2174 8.3958 8.4799 8.6376 8.7739 9.0292 9.0766 10.1035 10.2098 15.1307 15.1995 15.2827 15.3528 k = 0.5000-0.0231 0.5960 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8891 -4.8864 -4.8833 -4.8734 -4.0608 -4.0600 -4.0335 -4.0197 -4.0188 -4.0136 4.2344 4.3025 5.9739 6.0614 6.6205 6.7234 7.4356 7.7084 8.0538 8.2066 8.3999 8.4756 8.6386 8.7764 9.0279 9.0748 10.1167 10.2218 15.1615 15.2390 15.3355 15.4115 k = 0.5000-0.0115 0.6042 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0335 -4.0196 -4.0189 -4.0137 4.2339 4.3025 5.9884 6.0787 6.6009 6.6996 7.4347 7.7079 8.0619 8.1992 8.4026 8.4727 8.6393 8.7780 9.0271 9.0736 10.1246 10.2290 15.1809 15.2642 15.3699 15.4502 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0195 -4.0189 -4.0138 4.2337 4.3024 5.9934 6.0848 6.5941 6.6913 7.4344 7.7078 8.0648 8.1965 8.4036 8.4717 8.6395 8.7785 9.0268 9.0733 10.1272 10.2314 15.1875 15.2729 15.3819 15.4637 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0195 -4.0189 -4.0138 4.2337 4.3024 5.9934 6.0848 6.5941 6.6913 7.4344 7.7078 8.0648 8.1965 8.4036 8.4717 8.6395 8.7785 9.0268 9.0733 10.1272 10.2314 15.1875 15.2729 15.3819 15.4637 k = 0.4931 0.0120 0.6124 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0196 -4.0189 -4.0137 4.2325 4.3011 5.9917 6.0829 6.5977 6.6955 7.4344 7.7082 8.0614 8.1942 8.4023 8.4747 8.6384 8.7836 9.0225 9.0794 10.1273 10.2317 15.1762 15.2636 15.3799 15.4649 k = 0.4861 0.0241 0.6124 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8891 -4.8865 -4.8833 -4.8734 -4.0608 -4.0600 -4.0335 -4.0198 -4.0188 -4.0137 4.2293 4.2974 5.9866 6.0772 6.6083 6.7078 7.4342 7.7094 8.0505 8.1892 8.3974 8.4829 8.6358 8.7989 9.0126 9.0945 10.1275 10.2326 15.1414 15.2281 15.3824 15.4709 k = 0.4792 0.0361 0.6124 ( 8103 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8865 -4.8832 -4.8734 -4.0609 -4.0600 -4.0335 -4.0200 -4.0187 -4.0136 4.2243 4.2919 5.9783 6.0681 6.6254 6.7272 7.4339 7.7112 8.0321 8.1832 8.3893 8.4931 8.6339 8.8228 9.0016 9.1147 10.1276 10.2337 15.0859 15.1653 15.3940 15.4808 k = 0.4722 0.0481 0.6124 ( 8101 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8865 -4.8831 -4.8735 -4.0609 -4.0600 -4.0335 -4.0202 -4.0186 -4.0134 4.2179 4.2848 5.9674 6.0564 6.6482 6.7524 7.4333 7.7133 8.0077 8.1760 8.3796 8.5018 8.6350 8.8531 8.9914 9.1382 10.1274 10.2347 15.0152 15.0839 15.4107 15.4922 k = 0.4653 0.0601 0.6124 ( 8103 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8866 -4.8830 -4.8736 -4.0609 -4.0600 -4.0335 -4.0204 -4.0186 -4.0133 4.2106 4.2766 5.9547 6.0427 6.6759 6.7823 7.4323 7.7156 7.9793 8.1665 8.3701 8.5066 8.6402 8.8874 8.9840 9.1644 10.1266 10.2353 14.9343 14.9919 15.4288 15.5036 k = 0.4583 0.0722 0.6124 ( 8107 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8866 -4.8829 -4.8737 -4.0609 -4.0601 -4.0334 -4.0206 -4.0186 -4.0131 4.2026 4.2677 5.9409 6.0279 6.7075 6.8154 7.4306 7.7180 7.9486 8.1535 8.3619 8.5071 8.6488 8.9204 8.9835 9.1930 10.1250 10.2352 14.8474 14.8948 15.4466 15.5142 k = 0.4514 0.0842 0.6124 ( 8111 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8867 -4.8827 -4.8739 -4.0609 -4.0601 -4.0334 -4.0208 -4.0186 -4.0128 4.1942 4.2583 5.9265 6.0125 6.7420 6.8508 7.4281 7.7201 7.9173 8.1365 8.3559 8.5042 8.6592 8.9397 9.0017 9.2235 10.1227 10.2343 14.7579 14.7965 15.4632 15.5236 k = 0.4444 0.0962 0.6124 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6072 -4.8891 -4.8867 -4.8826 -4.8740 -4.0610 -4.0602 -4.0334 -4.0210 -4.0186 -4.0126 4.1856 4.2489 5.9123 5.9973 6.7787 6.8873 7.4247 7.7217 7.8866 8.1156 8.3525 8.4991 8.6697 8.9434 9.0394 9.2556 10.1194 10.2325 14.6687 14.7000 15.4784 15.5319 k = 0.4375 0.1083 0.6124 ( 8115 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8891 -4.8868 -4.8824 -4.8742 -4.0610 -4.0602 -4.0333 -4.0212 -4.0187 -4.0124 4.1773 4.2396 5.8985 5.9825 6.8168 6.9241 7.4199 7.7223 7.8578 8.0915 8.3514 8.4923 8.6794 8.9429 9.0842 9.2887 10.1151 10.2295 14.5819 14.6075 15.4920 15.5389 k = 0.4306 0.1203 0.6124 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8890 -4.8869 -4.8822 -4.8744 -4.0610 -4.0602 -4.0333 -4.0215 -4.0187 -4.0122 4.1692 4.2307 5.8855 5.9686 6.8556 6.9603 7.4135 7.7212 7.8327 8.0650 8.3523 8.4845 8.6877 8.9422 9.1308 9.3222 10.1099 10.2255 14.4994 14.5209 15.5039 15.5447 k = 0.4236 0.1323 0.6124 ( 8101 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8890 -4.8869 -4.8820 -4.8746 -4.0610 -4.0603 -4.0332 -4.0217 -4.0187 -4.0120 4.1617 4.2224 5.8735 5.9559 6.8945 6.9950 7.4053 7.7172 7.8132 8.0371 8.3550 8.4758 8.6945 8.9420 9.1771 9.3551 10.1039 10.2204 14.4227 14.4416 15.5142 15.5495 k = 0.4167 0.1443 0.6124 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8870 -4.8818 -4.8747 -4.0611 -4.0603 -4.0332 -4.0219 -4.0187 -4.0118 4.1549 4.2148 5.8629 5.9445 6.9329 7.0274 7.3951 7.7095 7.8009 8.0087 8.3590 8.4664 8.7000 8.9424 9.2214 9.3865 10.0972 10.2146 14.3532 14.3709 15.5229 15.5534 k = 0.4097 0.1564 0.6124 ( 8107 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8870 -4.8816 -4.8749 -4.0611 -4.0603 -4.0331 -4.0220 -4.0187 -4.0117 4.1488 4.2082 5.8537 5.9346 6.9702 7.0567 7.3827 7.6988 7.7958 7.9806 8.3643 8.4566 8.7042 8.9432 9.2624 9.4155 10.0903 10.2082 14.2922 14.3095 15.5301 15.5565 k = 0.4028 0.1684 0.6124 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8814 -4.8751 -4.0611 -4.0603 -4.0331 -4.0222 -4.0187 -4.0115 4.1438 4.2026 5.8460 5.9264 7.0053 7.0818 7.3688 7.6873 7.7962 7.9537 8.3707 8.4465 8.7075 8.9442 9.2989 9.4409 10.0836 10.2018 14.2408 14.2582 15.5359 15.5589 k = 0.3958 0.1804 0.6124 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8813 -4.8752 -4.0611 -4.0603 -4.0331 -4.0223 -4.0187 -4.0114 4.1397 4.1982 5.8399 5.9200 7.0372 7.1019 7.3541 7.6770 7.8004 7.9291 8.3779 8.4363 8.7098 8.9452 9.3293 9.4619 10.0775 10.1959 14.1999 14.2177 15.5404 15.5606 k = 0.3889 0.1925 0.6124 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8812 -4.8753 -4.0612 -4.0603 -4.0331 -4.0224 -4.0187 -4.0114 4.1368 4.1949 5.8356 5.9153 7.0639 7.1160 7.3405 7.6692 7.8067 7.9080 8.3857 8.4263 8.7114 8.9460 9.3523 9.4774 10.0727 10.1911 14.1703 14.1883 15.5435 15.5618 k = 0.3819 0.2045 0.6124 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1350 4.1930 5.8330 5.9125 7.0828 7.1238 7.3305 7.6644 7.8130 7.8926 8.3937 8.4169 8.7123 8.9466 9.3667 9.4870 10.0696 10.1879 14.1523 14.1706 15.5454 15.5625 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.3678 0.2123 0.6006 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8873 -4.8809 -4.8754 -4.0612 -4.0602 -4.0331 -4.0223 -4.0192 -4.0114 4.1083 4.1665 5.8731 5.9598 7.0423 7.0656 7.3181 7.6623 7.8013 7.8777 8.3944 8.4098 8.7308 8.9825 9.3803 9.4853 10.1610 10.2774 14.1408 14.1595 15.6687 15.6887 k = 0.3606 0.2082 0.5888 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8891 -4.8875 -4.8806 -4.8755 -4.0612 -4.0601 -4.0332 -4.0222 -4.0197 -4.0116 4.0791 4.1372 5.9153 6.0095 6.9979 7.0088 7.3108 7.6609 7.7906 7.8699 8.3908 8.4077 8.7500 9.0219 9.3890 9.4777 10.2556 10.3700 14.1348 14.1538 15.7906 15.8137 k = 0.3534 0.2040 0.5770 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8892 -4.8876 -4.8804 -4.8757 -4.0612 -4.0600 -4.0332 -4.0223 -4.0200 -4.0117 4.0468 4.1044 5.9583 6.0602 6.9562 6.9571 7.3050 7.6584 7.7839 7.8633 8.3883 8.4054 8.7695 9.0649 9.3984 9.4678 10.3522 10.4648 14.1285 14.1478 15.9100 15.9361 k = 0.3462 0.1999 0.5653 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8892 -4.8878 -4.8802 -4.8758 -4.0612 -4.0599 -4.0332 -4.0225 -4.0203 -4.0118 4.0114 4.0679 6.0018 6.1114 6.9081 6.9204 7.3009 7.6548 7.7811 7.8579 8.3871 8.4031 8.7885 9.1113 9.4095 9.4560 10.4506 10.5615 14.1217 14.1414 16.0255 16.0541 k = 0.3389 0.1957 0.5535 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7993 -35.7982 -34.6091 -34.6087 -34.6080 -34.6073 -4.8892 -4.8878 -4.8799 -4.8760 -4.0613 -4.0598 -4.0332 -4.0228 -4.0204 -4.0119 3.9728 4.0279 6.0455 6.1624 6.8652 6.8883 7.2987 7.6504 7.7816 7.8535 8.3876 8.4010 8.8065 9.1608 9.4232 9.4427 10.5509 10.6601 14.1147 14.1347 16.1355 16.1661 k = 0.3317 0.1915 0.5417 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6080 -34.6073 -4.8893 -4.8879 -4.8797 -4.8762 -4.0614 -4.0597 -4.0332 -4.0232 -4.0204 -4.0120 3.9311 3.9844 6.0887 6.2126 6.8277 6.8608 7.2986 7.6453 7.7849 7.8503 8.3902 8.3993 8.8227 9.2133 9.4284 9.4405 10.6529 10.7606 14.1074 14.1277 16.2385 16.2702 k = 0.3245 0.1874 0.5299 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6080 -34.6073 -4.8893 -4.8880 -4.8795 -4.8765 -4.0615 -4.0597 -4.0331 -4.0237 -4.0204 -4.0121 3.8863 3.9376 6.1312 6.2610 6.7960 6.8384 7.3008 7.6402 7.7902 7.8481 8.3953 8.3984 8.8368 9.2681 9.4140 9.4621 10.7565 10.8630 14.0998 14.1205 16.3330 16.3650 k = 0.3173 0.1832 0.5182 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6080 -34.6073 -4.8894 -4.8880 -4.8793 -4.8768 -4.0616 -4.0596 -4.0331 -4.0241 -4.0204 -4.0122 3.8387 3.8877 6.1724 6.3065 6.7708 6.8209 7.3055 7.6353 7.7969 7.8469 8.3985 8.4033 8.8485 9.3227 9.4024 9.4888 10.8618 10.9671 14.0920 14.1131 16.4181 16.4490 k = 0.3101 0.1790 0.5064 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6080 -34.6073 -4.8894 -4.8880 -4.8792 -4.8771 -4.0618 -4.0597 -4.0330 -4.0246 -4.0205 -4.0123 3.7883 3.8348 6.2120 6.3479 6.7523 6.8085 7.3129 7.6308 7.8043 7.8468 8.4000 8.4143 8.8581 9.3578 9.4132 9.5209 10.9686 11.0728 14.0840 14.1055 16.4928 16.5212 k = 0.3029 0.1749 0.4946 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7981 -34.6091 -34.6086 -34.6080 -34.6073 -4.8894 -4.8879 -4.8790 -4.8774 -4.0620 -4.0597 -4.0329 -4.0251 -4.0205 -4.0123 3.7354 3.7793 6.2495 6.3840 6.7411 6.8009 7.3230 7.6267 7.8119 7.8476 8.4031 8.4285 8.8663 9.3538 9.4666 9.5588 11.0769 11.1802 14.0760 14.0979 16.5568 16.5810 k = 0.2957 0.1707 0.4828 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7981 -34.6091 -34.6086 -34.6080 -34.6073 -4.8894 -4.8879 -4.8789 -4.8777 -4.0621 -4.0598 -4.0328 -4.0255 -4.0206 -4.0123 3.6802 3.7215 6.2846 6.4140 6.7373 6.7981 7.3359 7.6233 7.8193 7.8493 8.4082 8.4455 8.8743 9.3417 9.5322 9.6023 11.1867 11.2892 14.0678 14.0901 16.6098 16.6275 k = 0.2885 0.1665 0.4711 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7991 -35.7981 -34.6091 -34.6086 -34.6080 -34.6073 -4.8895 -4.8878 -4.8788 -4.8781 -4.0623 -4.0599 -4.0327 -4.0259 -4.0207 -4.0124 3.6230 3.6615 6.3173 6.4376 6.7402 6.7995 7.3514 7.6203 7.8261 7.8520 8.4155 8.4646 8.8838 9.3297 9.6022 9.6512 11.2978 11.3996 14.0596 14.0824 16.5877 16.6529 k = 0.2812 0.1624 0.4593 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7991 -35.7981 -34.6091 -34.6086 -34.6080 -34.6074 -4.8895 -4.8877 -4.8787 -4.8785 -4.0626 -4.0600 -4.0325 -4.0263 -4.0208 -4.0124 3.5639 3.5998 6.3476 6.4554 6.7488 6.8047 7.3692 7.6177 7.8322 7.8556 8.4252 8.4843 8.8972 9.3197 9.6756 9.7055 11.4103 11.5115 14.0513 14.0746 16.5079 16.5986 k = 0.2740 0.1582 0.4475 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7981 -34.6090 -34.6086 -34.6080 -34.6074 -4.8895 -4.8876 -4.8789 -4.8786 -4.0628 -4.0601 -4.0324 -4.0267 -4.0210 -4.0124 3.5034 3.5366 6.3755 6.4688 6.7610 6.8132 7.3886 7.6153 7.8376 7.8601 8.4372 8.5026 8.9174 9.3132 9.7521 9.7646 11.5240 11.6247 14.0431 14.0669 16.4302 16.5217 k = 0.2668 0.1541 0.4357 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7990 -35.7981 -34.6090 -34.6086 -34.6080 -34.6074 -4.8895 -4.8874 -4.8793 -4.8785 -4.0630 -4.0603 -4.0322 -4.0270 -4.0211 -4.0125 3.4417 3.4723 6.4014 6.4794 6.7752 6.8241 7.4090 7.6129 7.8426 7.8656 8.4514 8.5172 8.9473 9.3112 9.8284 9.8315 11.6389 11.7393 14.0350 14.0593 16.3545 16.4410 k = 0.2596 0.1499 0.4240 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4885 -36.4885 -35.7989 -35.7981 -34.6090 -34.6085 -34.6080 -34.6074 -4.8896 -4.8873 -4.8797 -4.8784 -4.0633 -4.0605 -4.0320 -4.0273 -4.0214 -4.0125 3.3790 3.4071 6.4255 6.4885 6.7898 6.8369 7.4293 7.6103 7.8473 7.8721 8.4672 8.5264 8.9889 9.3152 9.8965 9.9137 11.7549 11.8550 14.0269 14.0518 16.2804 16.3540 k = 0.2524 0.1457 0.4122 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7989 -35.7981 -34.6089 -34.6085 -34.6080 -34.6075 -4.8896 -4.8871 -4.8801 -4.8784 -4.0636 -4.0608 -4.0318 -4.0276 -4.0216 -4.0126 3.3156 3.3414 6.4483 6.4972 6.8037 6.8508 7.4487 7.6071 7.8521 7.8797 8.4839 8.5295 9.0433 9.3266 9.9687 9.9987 11.8719 11.9718 14.0190 14.0445 16.2071 16.2576 k = 0.2452 0.1416 0.4004 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7980 -34.6089 -34.6085 -34.6080 -34.6075 -4.8896 -4.8870 -4.8805 -4.8784 -4.0638 -4.0610 -4.0316 -4.0279 -4.0219 -4.0126 3.2518 3.2753 6.4700 6.5062 6.8165 6.8653 7.4662 7.6032 7.8575 7.8886 8.5005 8.5270 9.1102 9.3471 10.0448 10.0866 11.9898 12.0897 14.0113 14.0374 16.1329 16.1519 k = 0.2380 0.1374 0.3886 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7980 -34.6089 -34.6085 -34.6080 -34.6075 -4.8896 -4.8868 -4.8809 -4.8784 -4.0641 -4.0613 -4.0314 -4.0282 -4.0221 -4.0127 3.1878 3.2092 6.4910 6.5158 6.8279 6.8798 7.4812 7.5983 7.8638 7.8988 8.5157 8.5200 9.1886 9.3781 10.1246 10.1772 12.1086 12.2084 14.0039 14.0305 16.0401 16.0528 k = 0.2308 0.1332 0.3768 ( 8092 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7980 -34.6088 -34.6085 -34.6080 -34.6076 -4.8896 -4.8866 -4.8813 -4.8784 -4.0644 -4.0616 -4.0312 -4.0284 -4.0224 -4.0128 3.1239 3.1432 6.5115 6.5263 6.8378 6.8939 7.4933 7.5922 7.8714 7.9104 8.5095 8.5285 9.2774 9.4206 10.2079 10.2705 12.2280 12.3280 13.9967 14.0240 15.9250 15.9584 k = 0.2236 0.1291 0.3651 ( 8094 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7980 -34.6088 -34.6084 -34.6080 -34.6076 -4.8896 -4.8864 -4.8816 -4.8785 -4.0647 -4.0620 -4.0309 -4.0286 -4.0227 -4.0129 3.0602 3.0777 6.5317 6.5378 6.8463 6.9072 7.5020 7.5850 7.8805 7.9233 8.4966 8.5382 9.3753 9.4755 10.2947 10.3666 12.3480 12.4482 13.9898 14.0178 15.8086 15.8496 k = 0.2163 0.1249 0.3533 ( 8098 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7980 -34.6088 -34.6084 -34.6080 -34.6076 -4.8896 -4.8862 -4.8820 -4.8785 -4.0650 -4.0623 -4.0307 -4.0288 -4.0231 -4.0130 2.9970 3.0128 6.5503 6.5516 6.8535 6.9197 7.5076 7.5766 7.8911 7.9377 8.4822 8.5444 9.4815 9.5427 10.3848 10.4653 12.4685 12.5689 13.9833 14.0121 15.6921 15.7348 k = 0.2091 0.1207 0.3415 ( 8102 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7980 -34.6087 -34.6084 -34.6080 -34.6077 -4.8897 -4.8860 -4.8824 -4.8786 -4.0653 -4.0627 -4.0304 -4.0289 -4.0234 -4.0132 2.9346 2.9487 6.5637 6.5714 6.8596 6.9309 7.5101 7.5671 7.9034 7.9533 8.4671 8.5471 9.5950 9.6219 10.4781 10.5668 12.5892 12.6900 13.9772 14.0067 15.5765 15.6188 k = 0.2019 0.1166 0.3297 ( 8102 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7980 -34.6087 -34.6084 -34.6080 -34.6077 -4.8897 -4.8859 -4.8827 -4.8787 -4.0656 -4.0631 -4.0301 -4.0291 -4.0238 -4.0134 2.8729 2.8856 6.5781 6.5911 6.8646 6.9410 7.5099 7.5566 7.9173 7.9700 8.4517 8.5467 9.7124 9.7152 10.5746 10.6708 12.7100 12.8112 13.9716 14.0019 15.4621 15.5036 k = 0.1947 0.1124 0.3180 ( 8102 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7984 -35.7979 -34.6086 -34.6084 -34.6080 -34.6077 -4.8897 -4.8857 -4.8831 -4.8788 -4.0659 -4.0635 -4.0298 -4.0292 -4.0241 -4.0136 2.8123 2.8236 6.5931 6.6106 6.8687 6.9496 7.5072 7.5453 7.9328 7.9878 8.4366 8.5436 9.8131 9.8415 10.6741 10.7775 12.8307 12.9324 13.9665 13.9977 15.3494 15.3900 k = 0.1875 0.1083 0.3062 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7984 -35.7979 -34.6086 -34.6083 -34.6080 -34.6078 -4.8896 -4.8855 -4.8834 -4.8789 -4.0662 -4.0639 -4.0296 -4.0293 -4.0245 -4.0139 2.7529 2.7629 6.6088 6.6300 6.8720 6.9569 7.5026 7.5334 7.9496 8.0063 8.4220 8.5385 9.9231 9.9733 10.7766 10.8868 12.9511 13.0533 13.9620 13.9941 15.2387 15.2785 k = 0.1803 0.1041 0.2944 ( 8106 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7983 -35.7979 -34.6086 -34.6083 -34.6081 -34.6078 -4.8896 -4.8854 -4.8837 -4.8790 -4.0664 -4.0643 -4.0293 -4.0293 -4.0248 -4.0141 2.6948 2.7036 6.6250 6.6492 6.8745 6.9628 7.4963 7.5210 7.9677 8.0256 8.4083 8.5318 10.0414 10.1102 10.8820 10.9985 13.0709 13.1735 13.9582 13.9911 15.1302 15.1693 k = 0.1731 0.0999 0.2826 ( 8096 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7983 -35.7979 -34.6085 -34.6083 -34.6081 -34.6078 -4.8896 -4.8852 -4.8840 -4.8792 -4.0667 -4.0648 -4.0294 -4.0290 -4.0252 -4.0145 2.6382 2.6459 6.6415 6.6681 6.8764 6.9673 7.4888 7.5085 7.9869 8.0455 8.3956 8.5242 10.1671 10.2517 10.9902 11.1128 13.1897 13.2927 13.9551 13.9889 15.0243 15.0627 k = 0.1659 0.0958 0.2709 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7982 -35.7979 -34.6085 -34.6083 -34.6081 -34.6079 -4.8896 -4.8851 -4.8842 -4.8794 -4.0670 -4.0652 -4.0294 -4.0287 -4.0255 -4.0148 2.5831 2.5899 6.6583 6.6867 6.8777 6.9704 7.4804 7.4959 8.0071 8.0657 8.3841 8.5159 10.2992 10.3974 11.1012 11.2294 13.3071 13.4105 13.9528 13.9876 14.9210 14.9589 k = 0.1587 0.0916 0.2591 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7982 -35.7979 -34.6085 -34.6083 -34.6081 -34.6079 -4.8896 -4.8849 -4.8845 -4.8795 -4.0673 -4.0656 -4.0295 -4.0284 -4.0259 -4.0152 2.5297 2.5356 6.6751 6.7048 6.8784 6.9722 7.4713 7.4834 8.0281 8.0864 8.3739 8.5073 10.4372 10.5469 11.2150 11.3483 13.4227 13.5261 13.9518 13.9873 14.8206 14.8582 k = 0.1514 0.0874 0.2473 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7978 -34.6084 -34.6083 -34.6081 -34.6079 -4.8895 -4.8848 -4.8847 -4.8797 -4.0676 -4.0661 -4.0295 -4.0282 -4.0262 -4.0156 2.4781 2.4832 6.6918 6.7224 6.8787 6.9727 7.4620 7.4712 8.0497 8.1072 8.3651 8.4987 10.5803 10.6999 11.3314 11.4695 13.5358 13.6384 13.9524 13.9883 14.7234 14.7607 k = 0.1442 0.0833 0.2355 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7978 -34.6084 -34.6082 -34.6081 -34.6079 -4.8895 -4.8849 -4.8847 -4.8799 -4.0679 -4.0665 -4.0295 -4.0279 -4.0264 -4.0160 2.4284 2.4328 6.7083 6.7393 6.8785 6.9721 7.4525 7.4595 8.0718 8.1282 8.3577 8.4903 10.7279 10.8559 11.4504 11.5928 13.6451 13.7451 13.9565 13.9913 14.6295 14.6666 k = 0.1370 0.0791 0.2238 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7980 -35.7978 -34.6084 -34.6082 -34.6081 -34.6080 -4.8894 -4.8851 -4.8847 -4.8802 -4.0681 -4.0669 -4.0294 -4.0276 -4.0267 -4.0164 2.3806 2.3843 6.7244 6.7555 6.8780 6.9703 7.4432 7.4483 8.0942 8.1491 8.3517 8.4822 10.8796 11.0146 11.5719 11.7180 13.7488 13.8389 13.9705 13.9975 14.5393 14.5764 k = 0.1298 0.0749 0.2120 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7979 -35.7978 -34.6083 -34.6082 -34.6081 -34.6080 -4.8893 -4.8853 -4.8846 -4.8804 -4.0684 -4.0673 -4.0294 -4.0274 -4.0269 -4.0169 2.3349 2.3380 6.7399 6.7708 6.8771 6.9676 7.4342 7.4379 8.1168 8.1699 8.3471 8.4745 11.0346 11.1754 11.6959 11.8451 13.8417 13.8980 14.0113 14.0154 14.4533 14.4903 k = 0.1226 0.0708 0.2002 ( 8092 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7979 -35.7977 -34.6083 -34.6082 -34.6081 -34.6080 -4.8892 -4.8854 -4.8846 -4.8806 -4.0687 -4.0677 -4.0293 -4.0272 -4.0271 -4.0174 2.2912 2.2939 6.7548 6.7852 6.8761 6.9640 7.4256 7.4282 8.1394 8.1906 8.3439 8.4673 11.1927 11.3380 11.8222 11.9737 13.9113 13.9182 14.0434 14.0935 14.3726 14.4090 k = 0.1154 0.0666 0.1884 ( 8084 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7977 -34.6083 -34.6082 -34.6081 -34.6080 -4.8891 -4.8855 -4.8845 -4.8809 -4.0689 -4.0681 -4.0293 -4.0273 -4.0270 -4.0179 2.2498 2.2520 6.7690 6.7986 6.8748 6.9597 7.4177 7.4194 8.1619 8.2108 8.3419 8.4607 11.3533 11.5018 11.9509 12.1038 13.9250 13.9474 14.1001 14.1765 14.3009 14.3350 k = 0.1082 0.0625 0.1766 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7977 -34.6082 -34.6082 -34.6081 -34.6080 -4.8890 -4.8856 -4.8845 -4.8811 -4.0692 -4.0685 -4.0292 -4.0274 -4.0268 -4.0184 2.2106 2.2124 6.7822 6.8108 6.8734 6.9547 7.4105 7.4115 8.1842 8.2307 8.3411 8.4545 11.5158 11.6661 12.0819 12.2349 13.9275 13.9638 14.1445 14.2275 14.2605 14.2949 k = 0.1010 0.0583 0.1649 ( 8084 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7977 -34.6082 -34.6082 -34.6081 -34.6080 -4.8889 -4.8857 -4.8845 -4.8814 -4.0694 -4.0689 -4.0291 -4.0275 -4.0266 -4.0190 2.1737 2.1752 6.7945 6.8219 6.8719 6.9491 7.4041 7.4046 8.2059 8.2499 8.3413 8.4489 11.6798 11.8301 12.2151 12.3667 13.9274 13.9733 14.1156 14.1823 14.2991 14.3502 k = 0.0938 0.0541 0.1531 ( 8074 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7977 -35.7976 -34.6082 -34.6082 -34.6081 -34.6080 -4.8887 -4.8858 -4.8845 -4.8816 -4.0697 -4.0692 -4.0290 -4.0276 -4.0264 -4.0195 2.1391 2.1403 6.8058 6.8318 6.8705 6.9432 7.3986 7.3988 8.2272 8.2684 8.3426 8.4438 11.8446 11.9931 12.3505 12.4988 13.9237 13.9795 14.0598 14.1274 14.3662 14.4146 k = 0.0865 0.0500 0.1413 ( 8074 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7977 -35.7976 -34.6082 -34.6081 -34.6081 -34.6081 -4.8885 -4.8858 -4.8846 -4.8819 -4.0699 -4.0695 -4.0289 -4.0276 -4.0263 -4.0201 2.1069 2.1079 6.8161 6.8405 6.8690 6.9370 7.3939 7.3939 8.2476 8.2862 8.3446 8.4391 12.0096 12.1538 12.4880 12.6307 13.9141 13.9753 14.0129 14.0820 14.4325 14.4709 k = 0.0793 0.0458 0.1295 ( 8076 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6082 -34.6081 -34.6081 -34.6081 -4.8884 -4.8859 -4.8846 -4.8822 -4.0701 -4.0698 -4.0288 -4.0275 -4.0262 -4.0207 2.0772 2.0779 6.8252 6.8480 6.8677 6.9307 7.3899 7.3901 8.2672 8.3029 8.3474 8.4347 12.1739 12.3110 12.6275 12.7618 13.8954 13.9349 14.0059 14.0511 14.4924 14.5171 k = 0.0721 0.0416 0.1178 ( 8072 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6082 -34.6081 -34.6081 -34.6081 -4.8882 -4.8859 -4.8847 -4.8825 -4.0703 -4.0701 -4.0287 -4.0275 -4.0261 -4.0212 2.0499 2.0504 6.8333 6.8543 6.8666 6.9242 7.3869 7.3871 8.2858 8.3186 8.3508 8.4307 12.3365 12.4634 12.7684 12.8912 13.8677 13.8863 14.0127 14.0356 14.5439 14.5530 k = 0.0649 0.0375 0.1060 ( 8056 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8879 -4.8859 -4.8847 -4.8828 -4.0705 -4.0704 -4.0286 -4.0274 -4.0260 -4.0218 2.0251 2.0255 6.8404 6.8596 6.8657 6.9178 7.3846 7.3848 8.3033 8.3331 8.3547 8.4269 12.4960 12.6093 12.9101 13.0179 13.8355 13.8415 14.0226 14.0319 14.5793 14.5858 k = 0.0577 0.0333 0.0942 ( 8060 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8877 -4.8859 -4.8848 -4.8831 -4.0707 -4.0706 -4.0284 -4.0273 -4.0259 -4.0223 2.0029 2.0031 6.8465 6.8639 6.8651 6.9115 7.3830 7.3832 8.3194 8.3462 8.3589 8.4232 12.6505 12.7471 13.0512 13.1408 13.8024 13.8038 14.0351 14.0363 14.5970 14.6171 k = 0.0505 0.0291 0.0824 ( 8056 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8875 -4.8859 -4.8849 -4.8834 -4.0709 -4.0708 -4.0283 -4.0271 -4.0259 -4.0229 1.9832 1.9833 6.8516 6.8649 6.8672 6.9053 7.3820 7.3822 8.3341 8.3580 8.3635 8.4197 12.7975 12.8749 13.1893 13.2585 13.7699 13.7759 14.0472 14.0507 14.6071 14.6371 k = 0.0433 0.0250 0.0707 ( 8064 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4889 -36.4889 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8872 -4.8859 -4.8850 -4.8837 -4.0710 -4.0710 -4.0281 -4.0270 -4.0259 -4.0234 1.9660 1.9661 6.8559 6.8651 6.8697 6.8995 7.3815 7.3816 8.3473 8.3682 8.3682 8.4162 12.9336 12.9906 13.3212 13.3691 13.7451 13.7538 14.0646 14.0708 14.6107 14.6452 k = 0.0361 0.0208 0.0589 ( 8048 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8870 -4.8858 -4.8851 -4.8840 -4.0712 -4.0711 -4.0278 -4.0269 -4.0259 -4.0239 1.9515 1.9516 6.8593 6.8659 6.8715 6.8939 7.3812 7.3813 8.3588 8.3732 8.3768 8.4127 13.0542 13.0914 13.4425 13.4706 13.7290 13.7391 14.0900 14.0970 14.6080 14.6411 k = 0.0288 0.0167 0.0471 ( 8040 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8867 -4.8858 -4.8852 -4.8843 -4.0713 -4.0713 -4.0276 -4.0267 -4.0259 -4.0244 1.9396 1.9396 6.8621 6.8671 6.8727 6.8888 7.3812 7.3813 8.3685 8.3781 8.3836 8.4092 13.1541 13.1747 13.5481 13.5606 13.7222 13.7321 14.1253 14.1313 14.5987 14.6250 k = 0.0216 0.0125 0.0353 ( 8032 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8864 -4.8857 -4.8853 -4.8846 -4.0714 -4.0714 -4.0273 -4.0266 -4.0260 -4.0249 1.9303 1.9303 6.8645 6.8686 6.8733 6.8840 7.3813 7.3813 8.3765 8.3831 8.3887 8.4055 13.2294 13.2384 13.6328 13.6359 13.7237 13.7322 14.1711 14.1747 14.5819 14.5982 k = 0.0144 0.0083 0.0236 ( 8020 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8861 -4.8857 -4.8854 -4.8849 -4.0714 -4.0714 -4.0270 -4.0265 -4.0260 -4.0254 1.9237 1.9237 6.8668 6.8701 6.8734 6.8797 7.3814 7.3815 8.3829 8.3876 8.3920 8.4016 13.2793 13.2819 13.6932 13.6937 13.7304 13.7365 14.2239 14.2250 14.5572 14.5639 k = 0.0072 0.0042 0.0118 ( 8000 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8858 -4.8856 -4.8854 -4.8852 -4.0715 -4.0715 -4.0266 -4.0263 -4.0261 -4.0258 1.9197 1.9197 6.8694 6.8714 6.8731 6.8758 7.3815 7.3815 8.3883 8.3911 8.3935 8.3975 13.3064 13.3068 13.7292 13.7300 13.7377 13.7408 14.2723 14.2724 14.5287 14.5298 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8855 -4.8855 -4.8855 -4.8855 -4.0715 -4.0715 -4.0262 -4.0262 -4.0262 -4.0262 1.9184 1.9184 6.8724 6.8724 6.8724 6.8724 7.3816 7.3816 8.3931 8.3931 8.3931 8.3931 13.3149 13.3149 13.7417 13.7417 13.7417 13.7417 14.2941 14.2941 14.5138 14.5138 k = 0.0000 0.0000 0.0000 ( 7991 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8855 -4.8855 -4.8855 -4.8855 -4.0715 -4.0715 -4.0262 -4.0262 -4.0262 -4.0262 1.9184 1.9184 6.8724 6.8724 6.8724 6.8724 7.3816 7.3816 8.3931 8.3931 8.3931 8.3931 13.3149 13.3149 13.7417 13.7417 13.7417 13.7417 14.2941 14.2941 14.5138 14.5138 k = 0.0119 0.0069 0.0049 ( 8006 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8858 -4.8855 -4.8855 -4.8852 -4.0715 -4.0715 -4.0266 -4.0262 -4.0262 -4.0258 1.9197 1.9197 6.8693 6.8722 6.8722 6.8760 7.3815 7.3815 8.3882 8.3922 8.3922 8.3977 13.3064 13.3064 13.7289 13.7289 13.7379 13.7413 14.2721 14.2721 14.5294 14.5294 k = 0.0238 0.0137 0.0097 ( 8018 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7974 -35.7974 -34.6081 -34.6081 -34.6081 -34.6081 -4.8862 -4.8855 -4.8855 -4.8849 -4.0714 -4.0714 -4.0270 -4.0263 -4.0263 -4.0253 1.9238 1.9238 6.8668 6.8716 6.8716 6.8801 7.3814 7.3814 8.3830 8.3894 8.3894 8.4021 13.2792 13.2792 13.6927 13.6927 13.7300 13.7367 14.2256 14.2256 14.5595 14.5595 k = 0.0357 0.0206 0.0146 ( 8030 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8865 -4.8855 -4.8855 -4.8846 -4.0714 -4.0714 -4.0273 -4.0263 -4.0263 -4.0248 1.9306 1.9306 6.8647 6.8705 6.8705 6.8846 7.3813 7.3813 8.3776 8.3848 8.3848 8.4061 13.2280 13.2280 13.6404 13.6404 13.7179 13.7281 14.1777 14.1777 14.5861 14.5861 k = 0.0476 0.0275 0.0194 ( 8036 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8867 -4.8855 -4.8855 -4.8842 -4.0713 -4.0713 -4.0276 -4.0264 -4.0264 -4.0243 1.9401 1.9401 6.8631 6.8688 6.8688 6.8896 7.3813 7.3813 8.3720 8.3785 8.3785 8.4099 13.1467 13.1467 13.5836 13.5836 13.7018 13.7157 14.1368 14.1368 14.6046 14.6046 k = 0.0595 0.0344 0.0243 ( 8045 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8870 -4.8855 -4.8855 -4.8839 -4.0711 -4.0711 -4.0279 -4.0264 -4.0264 -4.0238 1.9523 1.9523 6.8621 6.8666 6.8666 6.8950 7.3814 7.3814 8.3662 8.3704 8.3704 8.4134 13.0335 13.0335 13.5318 13.5318 13.6820 13.6997 14.1034 14.1034 14.6159 14.6159 k = 0.0714 0.0412 0.0292 ( 8051 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8873 -4.8854 -4.8854 -4.8836 -4.0710 -4.0710 -4.0281 -4.0265 -4.0265 -4.0232 1.9671 1.9671 6.8614 6.8636 6.8636 6.9008 7.3818 7.3818 8.3605 8.3607 8.3607 8.4168 12.8932 12.8932 13.4871 13.4871 13.6586 13.6804 14.0753 14.0753 14.6217 14.6217 k = 0.0833 0.0481 0.0340 ( 8057 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8876 -4.8854 -4.8854 -4.8833 -4.0708 -4.0708 -4.0282 -4.0266 -4.0266 -4.0227 1.9846 1.9846 6.8597 6.8597 6.8612 6.9068 7.3826 7.3826 8.3495 8.3495 8.3548 8.4200 12.7337 12.7337 13.4469 13.4469 13.6320 13.6580 14.0507 14.0507 14.6237 14.6237 k = 0.0952 0.0550 0.0389 ( 8060 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7975 -35.7975 -34.6081 -34.6081 -34.6081 -34.6081 -4.8878 -4.8854 -4.8854 -4.8830 -4.0706 -4.0706 -4.0284 -4.0267 -4.0267 -4.0221 2.0047 2.0047 6.8549 6.8549 6.8614 6.9131 7.3840 7.3840 8.3368 8.3368 8.3492 8.4232 12.5615 12.5615 13.4084 13.4084 13.6023 13.6328 14.0284 14.0284 14.6230 14.6230 k = 0.1071 0.0619 0.0437 ( 8066 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8880 -4.8853 -4.8853 -4.8827 -4.0704 -4.0704 -4.0285 -4.0269 -4.0269 -4.0215 2.0275 2.0275 6.8489 6.8489 6.8619 6.9195 7.3861 7.3861 8.3228 8.3228 8.3440 8.4264 12.3815 12.3815 13.3694 13.3694 13.5697 13.6048 14.0077 14.0077 14.6205 14.6205 k = 0.1190 0.0687 0.0486 ( 8063 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8882 -4.8853 -4.8853 -4.8825 -4.0702 -4.0702 -4.0285 -4.0270 -4.0270 -4.0209 2.0528 2.0528 6.8417 6.8417 6.8628 6.9260 7.3890 7.3890 8.3076 8.3076 8.3391 8.4298 12.1968 12.1968 13.3285 13.3285 13.5346 13.5744 13.9883 13.9883 14.6170 14.6170 k = 0.1310 0.0756 0.0535 ( 8063 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8884 -4.8852 -4.8852 -4.8822 -4.0699 -4.0699 -4.0285 -4.0272 -4.0272 -4.0203 2.0806 2.0806 6.8330 6.8330 6.8638 6.9325 7.3928 7.3928 8.2913 8.2913 8.3348 8.4333 12.0097 12.0097 13.2851 13.2851 13.4970 13.5416 13.9699 13.9699 14.6131 14.6131 k = 0.1429 0.0825 0.0583 ( 8051 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7976 -35.7976 -34.6081 -34.6081 -34.6081 -34.6081 -4.8886 -4.8852 -4.8852 -4.8820 -4.0697 -4.0697 -4.0284 -4.0274 -4.0274 -4.0197 2.1109 2.1109 6.8230 6.8230 6.8651 6.9388 7.3977 7.3977 8.2741 8.2741 8.3311 8.4370 11.8218 11.8218 13.2387 13.2387 13.4572 13.5066 13.9525 13.9525 14.6091 14.6091 k = 0.1548 0.0894 0.0632 ( 8057 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7977 -35.7977 -34.6081 -34.6081 -34.6081 -34.6081 -4.8887 -4.8851 -4.8851 -4.8817 -4.0694 -4.0694 -4.0283 -4.0275 -4.0275 -4.0192 2.1436 2.1436 6.8114 6.8114 6.8665 6.9450 7.4036 7.4036 8.2562 8.2562 8.3283 8.4412 11.6344 11.6344 13.1890 13.1890 13.4153 13.4695 13.9362 13.9362 14.6053 14.6053 k = 0.1667 0.0962 0.0680 ( 8045 PWs) bands (ev): -81.2376 -81.2376 -48.1095 -48.1095 -36.4888 -36.4888 -35.7977 -35.7977 -34.6081 -34.6081 -34.6081 -34.6081 -4.8889 -4.8850 -4.8850 -4.8815 -4.0691 -4.0691 -4.0282 -4.0277 -4.0277 -4.0186 2.1787 2.1787 6.7982 6.7982 6.8680 6.9508 7.4105 7.4105 8.2376 8.2376 8.3264 8.4458 11.4482 11.4483 13.1362 13.1362 13.3714 13.4303 13.9209 13.9209 14.6020 14.6020 k = 0.1786 0.1031 0.0729 ( 8063 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7977 -35.7977 -34.6081 -34.6081 -34.6081 -34.6081 -4.8890 -4.8850 -4.8850 -4.8813 -4.0688 -4.0688 -4.0280 -4.0279 -4.0279 -4.0180 2.2161 2.2161 6.7834 6.7834 6.8696 6.9563 7.4185 7.4185 8.2185 8.2185 8.3256 8.4509 11.2642 11.2642 13.0803 13.0803 13.3257 13.3891 13.9068 13.9068 14.5993 14.5993 k = 0.1905 0.1100 0.0778 ( 8075 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7978 -34.6082 -34.6082 -34.6081 -34.6081 -4.8890 -4.8849 -4.8849 -4.8812 -4.0685 -4.0685 -4.0282 -4.0282 -4.0278 -4.0175 2.2558 2.2558 6.7670 6.7670 6.8712 6.9613 7.4274 7.4274 8.1991 8.1991 8.3260 8.4565 11.0830 11.0830 13.0216 13.0216 13.2784 13.3460 13.8938 13.8938 14.5972 14.5972 k = 0.2024 0.1168 0.0826 ( 8075 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7978 -34.6082 -34.6082 -34.6081 -34.6081 -4.8891 -4.8849 -4.8849 -4.8810 -4.0681 -4.0681 -4.0284 -4.0284 -4.0275 -4.0169 2.2976 2.2976 6.7491 6.7491 6.8727 6.9657 7.4370 7.4370 8.1796 8.1796 8.3277 8.4628 10.9052 10.9052 12.9605 12.9605 13.2295 13.3010 13.8819 13.8819 14.5958 14.5958 k = 0.2143 0.1237 0.0875 ( 8081 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4888 -36.4888 -35.7978 -35.7978 -34.6082 -34.6082 -34.6081 -34.6081 -4.8891 -4.8848 -4.8848 -4.8809 -4.0678 -4.0678 -4.0286 -4.0286 -4.0272 -4.0164 2.3414 2.3414 6.7296 6.7296 6.8742 6.9695 7.4473 7.4473 8.1600 8.1600 8.3308 8.4698 10.7312 10.7312 12.8972 12.8972 13.1792 13.2544 13.8711 13.8711 14.5949 14.5949 k = 0.2262 0.1306 0.0923 ( 8078 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7979 -35.7979 -34.6082 -34.6082 -34.6081 -34.6081 -4.8891 -4.8847 -4.8847 -4.8808 -4.0674 -4.0674 -4.0288 -4.0288 -4.0269 -4.0159 2.3872 2.3872 6.7087 6.7087 6.8755 6.9726 7.4581 7.4581 8.1405 8.1405 8.3354 8.4775 10.5617 10.5617 12.8321 12.8321 13.1278 13.2061 13.8614 13.8614 14.5946 14.5946 k = 0.2381 0.1375 0.0972 ( 8078 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7979 -35.7979 -34.6082 -34.6082 -34.6081 -34.6081 -4.8891 -4.8847 -4.8847 -4.8807 -4.0671 -4.0671 -4.0291 -4.0291 -4.0265 -4.0154 2.4348 2.4348 6.6863 6.6863 6.8768 6.9749 7.4691 7.4691 8.1211 8.1211 8.3415 8.4859 10.3971 10.3971 12.7658 12.7658 13.0753 13.1563 13.8527 13.8527 14.5948 14.5948 k = 0.2500 0.1443 0.1021 ( 8081 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6082 -34.6082 -34.6081 -34.6081 -4.8891 -4.8846 -4.8846 -4.8806 -4.0668 -4.0668 -4.0293 -4.0293 -4.0261 -4.0150 2.4841 2.4841 6.6626 6.6626 6.8778 6.9765 7.4801 7.4801 8.1021 8.1021 8.3491 8.4950 10.2380 10.2380 12.6985 12.6985 13.0221 13.1052 13.8450 13.8450 14.5954 14.5954 k = 0.2619 0.1512 0.1069 ( 8081 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6082 -34.6082 -34.6081 -34.6081 -4.8890 -4.8845 -4.8845 -4.8806 -4.0664 -4.0664 -4.0295 -4.0295 -4.0257 -4.0146 2.5350 2.5350 6.6375 6.6375 6.8788 6.9773 7.4909 7.4909 8.0835 8.0835 8.3583 8.5048 10.0848 10.0848 12.6307 12.6307 12.9684 13.0531 13.8383 13.8383 14.5963 14.5963 k = 0.2738 0.1581 0.1118 ( 8072 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7980 -35.7980 -34.6082 -34.6082 -34.6081 -34.6081 -4.8889 -4.8845 -4.8845 -4.8806 -4.0661 -4.0661 -4.0298 -4.0298 -4.0252 -4.0142 2.5871 2.5871 6.6112 6.6112 6.8796 6.9772 7.5012 7.5012 8.0652 8.0652 8.3689 8.5152 9.9382 9.9382 12.5629 12.5629 12.9144 13.0001 13.8324 13.8324 14.5976 14.5976 k = 0.2857 0.1650 0.1166 ( 8075 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7981 -34.6082 -34.6082 -34.6081 -34.6081 -4.8888 -4.8844 -4.8844 -4.8806 -4.0657 -4.0657 -4.0300 -4.0300 -4.0247 -4.0139 2.6405 2.6405 6.5837 6.5837 6.8803 6.9764 7.5108 7.5108 8.0473 8.0473 8.3811 8.5262 9.7986 9.7986 12.4953 12.4953 12.8605 12.9466 13.8272 13.8272 14.5990 14.5990 k = 0.2976 0.1718 0.1215 ( 8081 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7981 -34.6082 -34.6082 -34.6081 -34.6081 -4.8887 -4.8844 -4.8844 -4.8806 -4.0654 -4.0654 -4.0303 -4.0303 -4.0242 -4.0135 2.6947 2.6947 6.5550 6.5550 6.8808 6.9749 7.5195 7.5195 8.0298 8.0298 8.3945 8.5376 9.6666 9.6666 12.4285 12.4285 12.8070 12.8928 13.8228 13.8228 14.5729 14.5757 k = 0.3095 0.1787 0.1264 ( 8075 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7981 -35.7981 -34.6082 -34.6082 -34.6081 -34.6081 -4.8885 -4.8843 -4.8843 -4.8807 -4.0651 -4.0651 -4.0305 -4.0305 -4.0236 -4.0133 2.7496 2.7496 6.5253 6.5253 6.8812 6.9727 7.5272 7.5272 8.0124 8.0124 8.4092 8.5494 9.5428 9.5428 12.3629 12.3629 12.7541 12.8391 13.8191 13.8191 14.5446 14.5494 k = 0.3214 0.1856 0.1312 ( 8063 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4887 -36.4887 -35.7982 -35.7982 -34.6082 -34.6082 -34.6081 -34.6081 -4.8884 -4.8843 -4.8843 -4.8808 -4.0648 -4.0648 -4.0307 -4.0307 -4.0231 -4.0130 2.8050 2.8050 6.4946 6.4946 6.8816 6.9698 7.5336 7.5336 7.9952 7.9952 8.4250 8.5614 9.4278 9.4278 12.2987 12.2987 12.7023 12.7859 13.8159 13.8159 14.5185 14.5248 k = 0.3333 0.1925 0.1361 ( 8057 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7982 -35.7982 -34.6082 -34.6082 -34.6081 -34.6081 -4.8882 -4.8842 -4.8842 -4.8809 -4.0645 -4.0645 -4.0309 -4.0309 -4.0225 -4.0129 2.8604 2.8604 6.4630 6.4630 6.8819 6.9664 7.5387 7.5387 7.9778 7.9778 8.4417 8.5735 9.3221 9.3221 12.2364 12.2364 12.6519 12.7334 13.8133 13.8133 14.4945 14.5019 k = 0.3452 0.1993 0.1409 ( 8066 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7982 -35.7982 -34.6082 -34.6082 -34.6081 -34.6081 -4.8880 -4.8842 -4.8842 -4.8810 -4.0642 -4.0642 -4.0311 -4.0311 -4.0219 -4.0127 2.9155 2.9155 6.4307 6.4307 6.8821 6.9624 7.5424 7.5424 7.9600 7.9600 8.4592 8.5855 9.2261 9.2261 12.1763 12.1763 12.6033 12.6821 13.8111 13.8111 14.4726 14.4807 k = 0.3571 0.2062 0.1458 ( 8072 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6083 -34.6083 -34.6081 -34.6081 -4.8877 -4.8841 -4.8841 -4.8811 -4.0639 -4.0639 -4.0313 -4.0313 -4.0213 -4.0126 2.9699 2.9699 6.3979 6.3979 6.8825 6.9581 7.5448 7.5448 7.9418 7.9418 8.4771 8.5973 9.1401 9.1401 12.1189 12.1189 12.5568 12.6323 13.8093 13.8093 14.4527 14.4613 k = 0.3690 0.2131 0.1507 ( 8084 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6083 -34.6083 -34.6081 -34.6081 -4.8875 -4.8841 -4.8841 -4.8813 -4.0636 -4.0636 -4.0315 -4.0315 -4.0207 -4.0126 3.0231 3.0231 6.3649 6.3649 6.8828 6.9534 7.5459 7.5459 7.9231 7.9231 8.4954 8.6086 9.0643 9.0643 12.0645 12.0645 12.5127 12.5843 13.8079 13.8079 14.4348 14.4435 k = 0.3810 0.2199 0.1555 ( 8078 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6083 -34.6083 -34.6081 -34.6081 -4.8872 -4.8840 -4.8840 -4.8815 -4.0634 -4.0634 -4.0317 -4.0317 -4.0201 -4.0125 3.0747 3.0747 6.3319 6.3319 6.8833 6.9485 7.5459 7.5459 7.9038 7.9038 8.5137 8.6192 8.9986 8.9987 12.0133 12.0133 12.4715 12.5387 13.8068 13.8068 14.4187 14.4274 k = 0.3929 0.2268 0.1604 ( 8084 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7983 -35.7983 -34.6083 -34.6083 -34.6081 -34.6081 -4.8870 -4.8840 -4.8840 -4.8817 -4.0632 -4.0632 -4.0319 -4.0319 -4.0195 -4.0126 3.1242 3.1242 6.2993 6.2993 6.8840 6.9435 7.5449 7.5449 7.8843 7.8843 8.5319 8.6290 8.9428 8.9428 11.9658 11.9658 12.4334 12.4957 13.8059 13.8059 14.4046 14.4129 k = 0.4048 0.2337 0.1652 ( 8087 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8867 -4.8840 -4.8840 -4.8819 -4.0630 -4.0630 -4.0320 -4.0320 -4.0189 -4.0127 3.1709 3.1709 6.2677 6.2677 6.8848 6.9383 7.5431 7.5431 7.8648 7.8648 8.5496 8.6377 8.8962 8.8962 11.9223 11.9223 12.3988 12.4556 13.8052 13.8052 14.3921 14.4000 k = 0.4167 0.2406 0.1701 ( 8087 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8864 -4.8839 -4.8839 -4.8822 -4.0628 -4.0628 -4.0321 -4.0321 -4.0183 -4.0128 3.2143 3.2143 6.2377 6.2377 6.8859 6.9332 7.5407 7.5407 7.8459 7.8459 8.5667 8.6452 8.8580 8.8580 11.8831 11.8831 12.3680 12.4189 13.8047 13.8047 14.3814 14.3886 k = 0.4286 0.2474 0.1750 ( 8092 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8861 -4.8839 -4.8839 -4.8824 -4.0626 -4.0626 -4.0323 -4.0323 -4.0178 -4.0129 3.2536 3.2536 6.2097 6.2097 6.8872 6.9281 7.5379 7.5379 7.8281 7.8281 8.5829 8.6513 8.8275 8.8275 11.8484 11.8484 12.3413 12.3858 13.8043 13.8043 14.3723 14.3787 k = 0.4405 0.2543 0.1798 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8858 -4.8839 -4.8839 -4.8827 -4.0625 -4.0625 -4.0324 -4.0324 -4.0172 -4.0132 3.2883 3.2883 6.1846 6.1846 6.8888 6.9231 7.5350 7.5350 7.8121 7.8121 8.5980 8.6557 8.8036 8.8036 11.8186 11.8186 12.3189 12.3566 13.8041 13.8041 14.3649 14.3703 k = 0.4524 0.2612 0.1847 ( 8098 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8854 -4.8839 -4.8839 -4.8830 -4.0624 -4.0624 -4.0324 -4.0324 -4.0167 -4.0134 3.3177 3.3177 6.1628 6.1628 6.8908 6.9184 7.5322 7.5322 7.7982 7.7982 8.6118 8.6585 8.7854 8.7854 11.7939 11.7939 12.3010 12.3316 13.8039 13.8039 14.3589 14.3634 k = 0.4643 0.2681 0.1895 ( 8098 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8851 -4.8839 -4.8839 -4.8833 -4.0623 -4.0623 -4.0325 -4.0325 -4.0162 -4.0137 3.3413 3.3413 6.1452 6.1452 6.8930 6.9138 7.5297 7.5297 7.7871 7.7871 8.6241 8.6594 8.7722 8.7722 11.7744 11.7744 12.2878 12.3110 13.8038 13.8038 14.3545 14.3579 k = 0.4762 0.2749 0.1944 ( 8086 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8848 -4.8839 -4.8839 -4.8836 -4.0622 -4.0622 -4.0326 -4.0326 -4.0157 -4.0140 3.3585 3.3585 6.1321 6.1321 6.8956 6.9095 7.5278 7.5278 7.7789 7.7789 8.6347 8.6584 8.7633 8.7633 11.7604 11.7604 12.2794 12.2950 13.8037 13.8037 14.3515 14.3538 k = 0.4881 0.2818 0.1993 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7984 -35.7984 -34.6083 -34.6083 -34.6081 -34.6081 -4.8845 -4.8839 -4.8839 -4.8839 -4.0622 -4.0622 -4.0326 -4.0326 -4.0152 -4.0144 3.3690 3.3690 6.1241 6.1241 6.8986 6.9056 7.5265 7.5265 7.7739 7.7739 8.6435 8.6554 8.7582 8.7582 11.7519 11.7519 12.2759 12.2838 13.8037 13.8037 14.3499 14.3511 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7985 -34.6083 -34.6083 -34.6081 -34.6081 -4.8842 -4.8842 -4.8839 -4.8839 -4.0622 -4.0622 -4.0326 -4.0326 -4.0148 -4.0148 3.3725 3.3725 6.1214 6.1214 6.9019 6.9019 7.5261 7.5261 7.7722 7.7722 8.6505 8.6505 8.7565 8.7565 11.7491 11.7491 12.2774 12.2774 13.8037 13.8037 14.3498 14.3498 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7985 -34.6083 -34.6083 -34.6081 -34.6081 -4.8842 -4.8842 -4.8839 -4.8839 -4.0622 -4.0622 -4.0326 -4.0326 -4.0148 -4.0148 3.3725 3.3725 6.1214 6.1214 6.9019 6.9019 7.5261 7.5261 7.7722 7.7722 8.6505 8.6505 8.7565 8.7565 11.7491 11.7491 12.2774 12.2774 13.8037 13.8037 14.3498 14.3498 k = 0.5042 0.2766 0.2109 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8844 -4.8844 -4.8837 -4.8836 -4.0623 -4.0621 -4.0327 -4.0325 -4.0148 -4.0148 3.3728 3.3749 6.1207 6.1229 6.9019 6.9019 7.5240 7.5274 7.7694 7.7752 8.6503 8.6503 8.7522 8.7599 11.7363 11.7438 12.2656 12.2658 13.8112 13.8152 14.3565 14.3566 k = 0.5083 0.2646 0.2177 ( 8077 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8847 -4.8847 -4.8834 -4.8833 -4.0624 -4.0619 -4.0328 -4.0324 -4.0148 -4.0148 3.3756 3.3798 6.1209 6.1253 6.9019 6.9020 7.5211 7.5279 7.7667 7.7784 8.6497 8.6499 8.7469 8.7626 11.7051 11.7208 12.2314 12.2331 13.8357 13.8431 14.3769 14.3773 k = 0.5125 0.2526 0.2245 ( 8093 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7984 -34.6084 -34.6083 -34.6082 -34.6080 -4.8850 -4.8850 -4.8831 -4.8829 -4.0625 -4.0618 -4.0328 -4.0322 -4.0148 -4.0148 3.3811 3.3874 6.1219 6.1286 6.9019 6.9020 7.5172 7.5279 7.7643 7.7816 8.6486 8.6493 8.7406 8.7647 11.6559 11.6809 12.1785 12.1836 13.8720 13.8815 14.4119 14.4132 k = 0.5167 0.2406 0.2313 ( 8099 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6084 -34.6083 -34.6082 -34.6080 -4.8853 -4.8852 -4.8828 -4.8825 -4.0625 -4.0617 -4.0329 -4.0321 -4.0148 -4.0148 3.3891 3.3976 6.1236 6.1327 6.9017 6.9021 7.5124 7.5274 7.7620 7.7850 8.6468 8.6485 8.7332 8.7665 11.5899 11.6253 12.1118 12.1224 13.9128 13.9233 14.4626 14.4655 k = 0.5208 0.2285 0.2381 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6085 -34.6084 -34.6082 -34.6079 -4.8856 -4.8855 -4.8826 -4.8821 -4.0626 -4.0615 -4.0329 -4.0319 -4.0149 -4.0148 3.3996 3.4102 6.1260 6.1376 6.9013 6.9021 7.5066 7.5266 7.7600 7.7884 8.6444 8.6476 8.7248 8.7680 11.5087 11.5554 12.0358 12.0535 13.9523 13.9623 14.5293 14.5342 k = 0.5250 0.2165 0.2449 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6085 -34.6084 -34.6081 -34.6078 -4.8859 -4.8858 -4.8823 -4.8817 -4.0626 -4.0614 -4.0329 -4.0317 -4.0149 -4.0148 3.4127 3.4255 6.1290 6.1432 6.9007 6.9020 7.5000 7.5257 7.7582 7.7919 8.6410 8.6466 8.7154 8.7696 11.4148 11.4729 11.9543 11.9799 13.9867 13.9953 14.6110 14.6183 k = 0.5292 0.2045 0.2518 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8862 -4.8861 -4.8821 -4.8813 -4.0626 -4.0612 -4.0329 -4.0314 -4.0150 -4.0148 3.4283 3.4432 6.1325 6.1495 6.8998 6.9017 7.4924 7.5249 7.7567 7.7954 8.6366 8.6453 8.7050 8.7715 11.3108 11.3800 11.8697 11.9034 14.0151 14.0214 14.7048 14.7151 k = 0.5333 0.1925 0.2586 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8864 -4.8864 -4.8818 -4.8809 -4.0626 -4.0611 -4.0329 -4.0312 -4.0151 -4.0147 3.4463 3.4633 6.1363 6.1564 6.8984 6.9012 7.4841 7.5243 7.7556 7.7988 8.6311 8.6437 8.6941 8.7740 11.1994 11.2789 11.7836 11.8248 14.0377 14.0415 14.8081 14.8216 k = 0.5375 0.1804 0.2654 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7982 -34.6087 -34.6084 -34.6081 -34.6077 -4.8867 -4.8866 -4.8816 -4.8806 -4.0626 -4.0609 -4.0329 -4.0309 -4.0152 -4.0147 3.4666 3.4858 6.1403 6.1637 6.8966 6.9003 7.4751 7.5242 7.7547 7.8021 8.6245 8.6412 8.6831 8.7772 11.0829 11.1717 11.6967 11.7449 14.0558 14.0568 14.9183 14.9355 k = 0.5417 0.1684 0.2722 ( 8115 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7982 -34.6087 -34.6085 -34.6081 -34.6077 -4.8869 -4.8868 -4.8814 -4.8802 -4.0626 -4.0608 -4.0329 -4.0306 -4.0153 -4.0146 3.4893 3.5106 6.1443 6.1713 6.8943 6.8990 7.4655 7.5249 7.7544 7.8052 8.6166 8.6365 8.6735 8.7813 10.9635 11.0605 11.6095 11.6639 14.0685 14.0702 15.0338 15.0549 k = 0.5458 0.1564 0.2790 ( 8127 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4886 -36.4886 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8872 -4.8870 -4.8812 -4.8798 -4.0625 -4.0607 -4.0329 -4.0302 -4.0155 -4.0146 3.5141 3.5376 6.1479 6.1790 6.8916 6.8972 7.4555 7.5263 7.7545 7.8081 8.6075 8.6283 8.6669 8.7865 10.8428 10.9471 11.5222 11.5822 14.0777 14.0820 15.1535 15.1789 k = 0.5500 0.1443 0.2858 ( 8125 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8874 -4.8872 -4.8810 -4.8794 -4.0625 -4.0605 -4.0329 -4.0299 -4.0156 -4.0145 3.5411 3.5668 6.1510 6.1864 6.8885 6.8949 7.4451 7.5288 7.7551 7.8107 8.5973 8.6159 8.6639 8.7928 10.7223 10.8329 11.4350 11.5000 14.0851 14.0917 15.2768 15.3067 k = 0.5542 0.1323 0.2926 ( 8127 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6075 -4.8876 -4.8873 -4.8808 -4.8790 -4.0624 -4.0604 -4.0330 -4.0295 -4.0158 -4.0143 3.5701 3.5980 6.1531 6.1934 6.8852 6.8922 7.4346 7.5325 7.7565 7.8129 8.5860 8.6006 8.6635 8.8004 10.6030 10.7190 11.3481 11.4176 14.0911 14.0998 15.4029 15.4379 k = 0.5583 0.1203 0.2994 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6085 -34.6081 -34.6075 -4.8878 -4.8875 -4.8807 -4.8787 -4.0623 -4.0603 -4.0330 -4.0290 -4.0160 -4.0142 3.6010 3.6310 6.1540 6.1994 6.8819 6.8891 7.4241 7.5375 7.7585 7.8147 8.5739 8.5835 8.6649 8.8093 10.4860 10.6066 11.2614 11.3351 14.0961 14.1068 15.5309 15.5720 k = 0.5625 0.1083 0.3062 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6086 -34.6081 -34.6075 -4.8880 -4.8876 -4.8806 -4.8783 -4.0622 -4.0602 -4.0330 -4.0286 -4.0162 -4.0141 3.6336 3.6659 6.1531 6.2041 6.8790 6.8860 7.4137 7.5437 7.7614 7.8159 8.5609 8.5652 8.6676 8.8194 10.3721 10.4963 11.1753 11.2529 14.1005 14.1128 15.6594 15.7086 k = 0.5667 0.0962 0.3130 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8882 -4.8877 -4.8805 -4.8780 -4.0622 -4.0602 -4.0330 -4.0282 -4.0164 -4.0139 3.6678 3.7023 6.1501 6.2069 6.8769 6.8831 7.4037 7.5513 7.7653 7.8164 8.5463 8.5474 8.6714 8.8308 10.2618 10.3888 11.0899 11.1712 14.1043 14.1180 15.7855 15.8465 k = 0.5708 0.0842 0.3198 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8883 -4.8877 -4.8804 -4.8777 -4.0621 -4.0601 -4.0330 -4.0277 -4.0167 -4.0137 3.7034 3.7401 6.1444 6.2072 6.8760 6.8810 7.3940 7.5601 7.7701 7.8163 8.5271 8.5335 8.6761 8.8434 10.1558 10.2847 11.0053 11.0901 14.1078 14.1227 15.9032 15.9822 k = 0.5750 0.0722 0.3266 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8885 -4.8878 -4.8803 -4.8774 -4.0619 -4.0600 -4.0330 -4.0272 -4.0169 -4.0135 3.7401 3.7791 6.1357 6.2045 6.8768 6.8803 7.3847 7.5699 7.7759 7.8155 8.5080 8.5194 8.6817 8.8572 10.0546 10.1845 10.9218 11.0099 14.1111 14.1270 16.0001 16.0995 k = 0.5792 0.0601 0.3334 ( 8117 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8886 -4.8878 -4.8803 -4.8771 -4.0618 -4.0600 -4.0330 -4.0267 -4.0172 -4.0133 3.7778 3.8190 6.1236 6.1980 6.8798 6.8816 7.3760 7.5807 7.7828 7.8139 8.4893 8.5052 8.6880 8.8719 9.9586 10.0886 10.8394 10.9307 14.1141 14.1309 16.0621 16.1561 k = 0.5833 0.0481 0.3402 ( 8111 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6086 -34.6081 -34.6073 -4.8887 -4.8878 -4.8803 -4.8768 -4.0617 -4.0600 -4.0331 -4.0261 -4.0175 -4.0131 3.8161 3.8595 6.1079 6.1875 6.8854 6.8856 7.3678 7.5922 7.7907 7.8117 8.4713 8.4912 8.6948 8.8874 9.8682 9.9973 10.7584 10.8528 14.1171 14.1345 16.0861 16.1612 k = 0.5875 0.0361 0.3470 ( 8117 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8888 -4.8878 -4.8803 -4.8766 -4.0616 -4.0600 -4.0331 -4.0256 -4.0177 -4.0129 3.8548 3.9003 6.0885 6.1725 6.8930 6.8939 7.3601 7.6041 7.7996 7.8088 8.4546 8.4777 8.7021 8.9034 9.7838 9.9111 10.6789 10.7763 14.1199 14.1379 16.0797 16.1390 k = 0.5917 0.0241 0.3538 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8889 -4.8878 -4.8803 -4.8763 -4.0615 -4.0600 -4.0331 -4.0251 -4.0180 -4.0126 3.8933 3.9410 6.0657 6.1530 6.9041 6.9054 7.3529 7.6160 7.8055 7.8094 8.4395 8.4647 8.7094 8.9196 9.7059 9.8305 10.6011 10.7014 14.1228 14.1411 16.0512 16.0994 k = 0.5958 0.0120 0.3606 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8889 -4.8878 -4.8804 -4.8761 -4.0615 -4.0600 -4.0331 -4.0245 -4.0183 -4.0124 3.9314 3.9812 6.0397 6.1293 6.9193 6.9200 7.3463 7.6274 7.8022 7.8198 8.4262 8.4527 8.7165 8.9354 9.6348 9.7561 10.5252 10.6284 14.1257 14.1442 16.0075 16.0477 k = 0.6000 0.0000 0.3674 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8877 -4.8804 -4.8760 -4.0614 -4.0600 -4.0331 -4.0240 -4.0186 -4.0122 3.9685 4.0202 6.0110 6.1018 6.9377 6.9387 7.3403 7.6379 7.7991 7.8306 8.4152 8.4417 8.7227 8.9500 9.5711 9.6885 10.4514 10.5573 14.1285 14.1473 15.9535 15.9877 k = 0.6042-0.0120 0.3742 ( 8119 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8876 -4.8805 -4.8758 -4.0613 -4.0600 -4.0331 -4.0235 -4.0188 -4.0120 4.0041 4.0576 5.9804 6.0714 6.9583 6.9622 7.3348 7.6470 7.7969 7.8417 8.4065 8.4322 8.7276 8.9624 9.5152 9.6288 10.3800 10.4885 14.1314 14.1502 15.8924 15.9222 k = 0.6083-0.0241 0.3810 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4884 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8876 -4.8806 -4.8757 -4.0613 -4.0601 -4.0331 -4.0231 -4.0190 -4.0118 4.0375 4.0926 5.9486 6.0389 6.9814 6.9895 7.3301 7.6541 7.7963 7.8525 8.4004 8.4242 8.7304 8.9712 9.4678 9.5782 10.3112 10.4221 14.1343 14.1532 15.8268 15.8530 k = 0.6125-0.0361 0.3878 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8875 -4.8807 -4.8756 -4.0612 -4.0601 -4.0331 -4.0227 -4.0191 -4.0117 4.0680 4.1244 5.9168 6.0056 7.0066 7.0203 7.3264 7.6589 7.7976 7.8628 8.3969 8.4180 8.7306 8.9752 9.4295 9.5381 10.2453 10.3585 14.1373 14.1560 15.7582 15.7816 k = 0.6167-0.0481 0.3946 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8874 -4.8808 -4.8755 -4.0612 -4.0602 -4.0331 -4.0225 -4.0191 -4.0115 4.0948 4.1523 5.8860 5.9724 7.0335 7.0540 7.3240 7.6616 7.8014 7.8722 8.3957 8.4138 8.7277 8.9727 9.4006 9.5098 10.1826 10.2978 14.1402 14.1589 15.6880 15.7089 k = 0.6208-0.0601 0.4014 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8873 -4.8810 -4.8754 -4.0612 -4.0603 -4.0331 -4.0224 -4.0189 -4.0114 4.1173 4.1752 5.8574 5.9406 7.0615 7.0897 7.3237 7.6626 7.8075 7.8802 8.3965 8.4116 8.7216 8.9632 9.3813 9.4939 10.1235 10.2405 14.1432 14.1618 15.6171 15.6357 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.6181-0.0682 0.4196 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1350 4.1930 5.8330 5.9125 7.0828 7.1238 7.3305 7.6644 7.8130 7.8926 8.3937 8.4169 8.7123 8.9466 9.3667 9.4870 10.0696 10.1879 14.1523 14.1706 15.5454 15.5625 k = 0.6111-0.0642 0.4309 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8812 -4.8753 -4.0612 -4.0603 -4.0331 -4.0224 -4.0187 -4.0114 4.1368 4.1949 5.8356 5.9153 7.0639 7.1160 7.3405 7.6692 7.8067 7.9080 8.3857 8.4263 8.7114 8.9460 9.3523 9.4774 10.0727 10.1911 14.1703 14.1883 15.5435 15.5618 k = 0.6042-0.0601 0.4423 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8813 -4.8752 -4.0611 -4.0603 -4.0331 -4.0223 -4.0187 -4.0114 4.1398 4.1982 5.8399 5.9200 7.0372 7.1019 7.3541 7.6770 7.8004 7.9291 8.3779 8.4363 8.7098 8.9452 9.3293 9.4619 10.0775 10.1959 14.1999 14.2177 15.5403 15.5606 k = 0.5972-0.0561 0.4536 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8814 -4.8751 -4.0611 -4.0603 -4.0331 -4.0222 -4.0187 -4.0115 4.1438 4.2026 5.8460 5.9264 7.0053 7.0818 7.3688 7.6873 7.7962 7.9537 8.3707 8.4465 8.7075 8.9442 9.2989 9.4409 10.0836 10.2018 14.2408 14.2582 15.5359 15.5589 k = 0.5903-0.0521 0.4649 ( 8107 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8870 -4.8816 -4.8749 -4.0611 -4.0603 -4.0331 -4.0220 -4.0187 -4.0117 4.1489 4.2082 5.8537 5.9346 6.9702 7.0567 7.3827 7.6988 7.7958 7.9806 8.3643 8.4566 8.7042 8.9432 9.2624 9.4155 10.0903 10.2082 14.2922 14.3095 15.5301 15.5565 k = 0.5833-0.0481 0.4763 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8870 -4.8818 -4.8747 -4.0611 -4.0603 -4.0332 -4.0219 -4.0187 -4.0118 4.1549 4.2148 5.8629 5.9445 6.9329 7.0274 7.3951 7.7095 7.8009 8.0087 8.3590 8.4664 8.7000 8.9424 9.2214 9.3865 10.0972 10.2146 14.3532 14.3709 15.5229 15.5534 k = 0.5764-0.0441 0.4876 ( 8101 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8890 -4.8869 -4.8820 -4.8746 -4.0610 -4.0603 -4.0332 -4.0217 -4.0187 -4.0120 4.1617 4.2224 5.8735 5.9559 6.8945 6.9950 7.4053 7.7172 7.8132 8.0371 8.3550 8.4758 8.6945 8.9420 9.1771 9.3551 10.1039 10.2204 14.4227 14.4416 15.5142 15.5495 k = 0.5694-0.0401 0.4990 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8890 -4.8869 -4.8822 -4.8744 -4.0610 -4.0602 -4.0333 -4.0215 -4.0187 -4.0122 4.1692 4.2307 5.8855 5.9686 6.8556 6.9603 7.4135 7.7212 7.8327 8.0650 8.3523 8.4845 8.6877 8.9422 9.1308 9.3222 10.1099 10.2255 14.4994 14.5209 15.5039 15.5447 k = 0.5625-0.0361 0.5103 ( 8115 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6072 -4.8891 -4.8868 -4.8824 -4.8742 -4.0610 -4.0602 -4.0333 -4.0212 -4.0187 -4.0124 4.1773 4.2396 5.8985 5.9825 6.8168 6.9241 7.4199 7.7223 7.8578 8.0915 8.3514 8.4923 8.6794 8.9429 9.0842 9.2887 10.1151 10.2295 14.5819 14.6075 15.4920 15.5389 k = 0.5556-0.0321 0.5217 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6072 -4.8891 -4.8867 -4.8826 -4.8740 -4.0610 -4.0602 -4.0334 -4.0210 -4.0186 -4.0126 4.1856 4.2489 5.9123 5.9973 6.7787 6.8873 7.4247 7.7217 7.8866 8.1156 8.3525 8.4991 8.6697 8.9434 9.0394 9.2556 10.1194 10.2325 14.6687 14.7000 15.4784 15.5318 k = 0.5486-0.0281 0.5330 ( 8111 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8867 -4.8827 -4.8739 -4.0609 -4.0601 -4.0334 -4.0208 -4.0186 -4.0128 4.1942 4.2583 5.9265 6.0125 6.7420 6.8508 7.4281 7.7201 7.9173 8.1365 8.3559 8.5042 8.6592 8.9397 9.0017 9.2235 10.1227 10.2343 14.7579 14.7965 15.4632 15.5236 k = 0.5417-0.0241 0.5443 ( 8107 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8866 -4.8829 -4.8737 -4.0609 -4.0601 -4.0334 -4.0206 -4.0186 -4.0131 4.2026 4.2677 5.9409 6.0279 6.7075 6.8154 7.4306 7.7180 7.9486 8.1536 8.3619 8.5071 8.6488 8.9204 8.9835 9.1930 10.1250 10.2352 14.8474 14.8948 15.4466 15.5142 k = 0.5347-0.0200 0.5557 ( 8103 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8891 -4.8866 -4.8830 -4.8736 -4.0609 -4.0600 -4.0335 -4.0204 -4.0186 -4.0133 4.2106 4.2766 5.9547 6.0427 6.6759 6.7823 7.4323 7.7156 7.9793 8.1665 8.3701 8.5066 8.6402 8.8874 8.9840 9.1644 10.1266 10.2353 14.9343 14.9919 15.4288 15.5036 k = 0.5278-0.0160 0.5670 ( 8101 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8865 -4.8831 -4.8735 -4.0609 -4.0600 -4.0335 -4.0202 -4.0186 -4.0134 4.2179 4.2848 5.9674 6.0564 6.6482 6.7524 7.4333 7.7133 8.0077 8.1760 8.3796 8.5018 8.6350 8.8531 8.9914 9.1382 10.1274 10.2347 15.0152 15.0839 15.4106 15.4922 k = 0.5208-0.0120 0.5784 ( 8103 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8865 -4.8832 -4.8734 -4.0609 -4.0600 -4.0335 -4.0200 -4.0187 -4.0136 4.2243 4.2919 5.9783 6.0681 6.6254 6.7272 7.4339 7.7112 8.0321 8.1832 8.3893 8.4931 8.6339 8.8228 9.0016 9.1147 10.1276 10.2337 15.0859 15.1653 15.3940 15.4808 k = 0.5139-0.0080 0.5897 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8891 -4.8865 -4.8833 -4.8734 -4.0608 -4.0600 -4.0335 -4.0198 -4.0188 -4.0137 4.2293 4.2974 5.9866 6.0772 6.6083 6.7078 7.4342 7.7094 8.0505 8.1892 8.3974 8.4829 8.6358 8.7989 9.0126 9.0945 10.1275 10.2326 15.1414 15.2281 15.3824 15.4709 k = 0.5069-0.0040 0.6010 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0196 -4.0189 -4.0137 4.2325 4.3011 5.9917 6.0829 6.5977 6.6955 7.4344 7.7082 8.0614 8.1942 8.4023 8.4747 8.6384 8.7836 9.0225 9.0794 10.1273 10.2317 15.1762 15.2636 15.3799 15.4649 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0195 -4.0189 -4.0138 4.2337 4.3024 5.9934 6.0848 6.5941 6.6913 7.4344 7.7078 8.0648 8.1965 8.4036 8.4717 8.6395 8.7785 9.0268 9.0733 10.1272 10.2314 15.1875 15.2729 15.3819 15.4637 k = 0.5000 0.0000 0.6124 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0195 -4.0189 -4.0138 4.2337 4.3024 5.9934 6.0848 6.5941 6.6913 7.4344 7.7078 8.0648 8.1965 8.4036 8.4717 8.6395 8.7785 9.0268 9.0733 10.1272 10.2314 15.1875 15.2729 15.3819 15.4637 k = 0.5000 0.0082 0.6007 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8892 -4.8865 -4.8833 -4.8733 -4.0608 -4.0599 -4.0336 -4.0197 -4.0188 -4.0138 4.2309 4.2995 5.9951 6.0870 6.5947 6.6918 7.4341 7.7086 8.0612 8.1881 8.4025 8.4767 8.6379 8.7892 9.0188 9.0844 10.1302 10.2347 15.1737 15.2653 15.3873 15.4762 k = 0.5000 0.0165 0.5890 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6088 -34.6081 -34.6071 -4.8891 -4.8866 -4.8832 -4.8734 -4.0608 -4.0599 -4.0335 -4.0200 -4.0186 -4.0138 4.2226 4.2906 6.0000 6.0937 6.5965 6.6934 7.4331 7.7112 8.0506 8.1657 8.3988 8.4896 8.6353 8.8184 9.0038 9.1089 10.1393 10.2447 15.1405 15.2403 15.4061 15.5047 k = 0.5000 0.0247 0.5774 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8867 -4.8831 -4.8734 -4.0608 -4.0600 -4.0335 -4.0203 -4.0184 -4.0138 4.2091 4.2762 6.0079 6.1042 6.5997 6.6960 7.4316 7.7152 8.0330 8.1351 8.3928 8.5059 8.6352 8.8610 8.9884 9.1408 10.1544 10.2612 15.0983 15.2028 15.4330 15.5384 k = 0.5000 0.0330 0.5657 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7994 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8868 -4.8829 -4.8735 -4.0609 -4.0600 -4.0335 -4.0207 -4.0182 -4.0137 4.1906 4.2565 6.0185 6.1179 6.6042 6.6998 7.4295 7.7206 8.0088 8.1009 8.3864 8.5212 8.6387 8.9128 8.9742 9.1793 10.1754 10.2841 15.0519 15.1591 15.4607 15.5719 k = 0.5000 0.0412 0.5541 ( 8098 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6071 -4.8891 -4.8870 -4.8827 -4.8737 -4.0609 -4.0600 -4.0335 -4.0211 -4.0180 -4.0137 4.1677 4.2321 6.0313 6.1340 6.6103 6.7049 7.4269 7.7271 7.9791 8.0661 8.3811 8.5332 8.6451 8.9516 8.9814 9.2244 10.2020 10.3131 15.0033 15.1124 15.4846 15.6024 k = 0.5000 0.0495 0.5424 ( 8106 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8890 -4.8871 -4.8825 -4.8738 -4.0609 -4.0600 -4.0335 -4.0215 -4.0178 -4.0138 4.1409 4.2036 6.0456 6.1513 6.6183 6.7115 7.4239 7.7343 7.9456 8.0319 8.3779 8.5419 8.6527 8.9417 9.0441 9.2763 10.2343 10.3480 14.9536 15.0640 15.5019 15.6279 k = 0.5000 0.0577 0.5307 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8890 -4.8873 -4.8823 -4.8740 -4.0609 -4.0600 -4.0334 -4.0220 -4.0177 -4.0138 4.1107 4.1716 6.0610 6.1688 6.6281 6.7195 7.4205 7.7417 7.9101 7.9989 8.3772 8.5484 8.6598 8.9287 9.1158 9.3348 10.2718 10.3884 14.9033 15.0147 15.5108 15.6468 k = 0.5000 0.0660 0.5191 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8890 -4.8874 -4.8821 -4.8742 -4.0610 -4.0600 -4.0334 -4.0225 -4.0175 -4.0138 4.0777 4.1366 6.0766 6.1855 6.6400 6.7291 7.4168 7.7486 7.8747 7.9673 8.3791 8.5535 8.6653 8.9158 9.1925 9.3996 10.3145 10.4341 14.8528 14.9649 15.5098 15.6579 k = 0.5000 0.0742 0.5074 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4884 -35.7993 -35.7982 -34.6092 -34.6087 -34.6081 -34.6072 -4.8889 -4.8875 -4.8820 -4.8744 -4.0611 -4.0600 -4.0334 -4.0230 -4.0173 -4.0138 4.0424 4.0992 6.0920 6.2006 6.6539 6.7404 7.4129 7.7537 7.8415 7.9374 8.3836 8.5578 8.6689 8.9033 9.2734 9.4702 10.3620 10.4847 14.8024 14.9147 15.4989 15.6604 k = 0.5000 0.0825 0.4957 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6072 -4.8888 -4.8877 -4.8818 -4.8746 -4.0611 -4.0600 -4.0333 -4.0235 -4.0172 -4.0138 4.0055 4.0601 6.1065 6.2135 6.6697 6.7532 7.4090 7.7533 7.8148 7.9094 8.3904 8.5619 8.6706 8.8912 9.3579 9.5463 10.4141 10.5400 14.7523 14.8645 15.4784 15.6543 k = 0.5000 0.0907 0.4841 ( 8132 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6072 -4.8888 -4.8878 -4.8816 -4.8749 -4.0612 -4.0600 -4.0333 -4.0240 -4.0170 -4.0139 3.9673 4.0196 6.1198 6.2237 6.6871 6.7675 7.4051 7.7408 7.8013 7.8838 8.3996 8.5660 8.6709 8.8796 9.4459 9.6273 10.4706 10.5996 14.7025 14.8142 15.4497 15.6399 k = 0.5000 0.0990 0.4724 ( 8132 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6072 -4.8887 -4.8879 -4.8815 -4.8752 -4.0613 -4.0600 -4.0333 -4.0246 -4.0169 -4.0139 3.9283 3.9784 6.1316 6.2310 6.7056 6.7829 7.4016 7.7178 7.7996 7.8608 8.4109 8.5702 8.6700 8.8686 9.5371 9.7128 10.5311 10.6632 14.6534 14.7640 15.4141 15.6183 k = 0.5000 0.1072 0.4607 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8886 -4.8879 -4.8813 -4.8755 -4.0614 -4.0600 -4.0332 -4.0251 -4.0167 -4.0140 3.8890 3.9367 6.1415 6.2356 6.7247 6.7991 7.3987 7.6919 7.8018 7.8407 8.4240 8.5747 8.6682 8.8581 9.6314 9.8026 10.5956 10.7304 14.6050 14.7140 15.3732 15.5904 k = 0.5000 0.1155 0.4491 ( 8134 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8885 -4.8880 -4.8812 -4.8758 -4.0616 -4.0600 -4.0332 -4.0256 -4.0166 -4.0141 3.8496 3.8951 6.1496 6.2376 6.7440 6.8155 7.3967 7.6665 7.8040 7.8242 8.4388 8.5796 8.6659 8.8481 9.7288 9.8963 10.6636 10.8010 14.5574 14.6644 15.3282 15.5573 k = 0.5000 0.1237 0.4374 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6086 -34.6081 -34.6073 -4.8884 -4.8880 -4.8811 -4.8761 -4.0617 -4.0600 -4.0331 -4.0262 -4.0164 -4.0141 3.8105 3.8537 6.1558 6.2372 6.7629 6.8316 7.3959 7.6429 7.8010 7.8152 8.4549 8.5849 8.6633 8.8387 9.8292 9.9937 10.7350 10.8745 14.5108 14.6152 15.2800 15.5201 k = 0.5000 0.1320 0.4257 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6073 -4.8883 -4.8879 -4.8810 -4.8765 -4.0618 -4.0601 -4.0331 -4.0267 -4.0163 -4.0142 3.7720 3.8130 6.1601 6.2349 6.7812 6.8466 7.3967 7.6213 7.7914 7.8148 8.4721 8.5907 8.6606 8.8299 9.9325 10.0944 10.8095 10.9508 14.4653 14.5666 15.2295 15.4796 k = 0.5000 0.1402 0.4141 ( 8134 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8882 -4.8879 -4.8810 -4.8769 -4.0619 -4.0601 -4.0331 -4.0272 -4.0162 -4.0143 3.7344 3.7731 6.1628 6.2308 6.7986 6.8602 7.3991 7.6021 7.7818 7.8158 8.4899 8.5970 8.6580 8.8216 10.0388 10.1982 10.8868 11.0293 14.4210 14.5187 15.1773 15.4362 k = 0.5000 0.1485 0.4024 ( 8134 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8881 -4.8878 -4.8810 -4.8772 -4.0620 -4.0601 -4.0331 -4.0277 -4.0160 -4.0144 3.6979 3.7343 6.1639 6.2255 6.8148 6.8719 7.4033 7.5852 7.7738 7.8164 8.5081 8.6039 8.6556 8.8140 10.1479 10.3047 10.9667 11.1097 14.3781 14.4716 15.1236 15.3905 k = 0.5000 0.1567 0.3908 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8880 -4.8877 -4.8810 -4.8776 -4.0621 -4.0602 -4.0330 -4.0282 -4.0159 -4.0145 3.6626 3.6968 6.1636 6.2191 6.8296 6.8816 7.4092 7.5706 7.7675 7.8165 8.5263 8.6114 8.6535 8.8069 10.2598 10.4136 11.0489 11.1916 14.3366 14.4254 15.0688 15.3427 k = 0.5000 0.1650 0.3791 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6086 -34.6081 -34.6075 -4.8879 -4.8876 -4.8810 -4.8780 -4.0622 -4.0603 -4.0330 -4.0286 -4.0158 -4.0145 3.6288 3.6608 6.1622 6.2118 6.8429 6.8893 7.4166 7.5584 7.7627 7.8158 8.5441 8.6195 8.6516 8.8005 10.3741 10.5246 11.1331 11.2747 14.2966 14.3802 15.0131 15.2930 k = 0.5000 0.1732 0.3674 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6085 -34.6081 -34.6075 -4.8877 -4.8875 -4.8811 -4.8784 -4.0623 -4.0604 -4.0330 -4.0291 -4.0156 -4.0146 3.5967 3.6264 6.1598 6.2040 6.8547 6.8950 7.4253 7.5484 7.7592 7.8145 8.5610 8.6283 8.6502 8.7947 10.4907 10.6370 11.2192 11.3584 14.2583 14.3361 14.9567 15.2415 k = 0.5000 0.1815 0.3558 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6075 -4.8875 -4.8873 -4.8811 -4.8788 -4.0624 -4.0604 -4.0330 -4.0295 -4.0155 -4.0146 3.5663 3.5939 6.1566 6.1959 6.8650 6.8991 7.4348 7.5405 7.7568 7.8127 8.5767 8.6375 8.6495 8.7895 10.6091 10.7504 11.3069 11.4424 14.2216 14.2932 14.8998 15.1883 k = 0.5000 0.1897 0.3441 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8874 -4.8871 -4.8812 -4.8793 -4.0625 -4.0606 -4.0330 -4.0299 -4.0154 -4.0147 3.5378 3.5632 6.1529 6.1876 6.8736 6.9018 7.4449 7.5345 7.7553 7.8105 8.5908 8.6449 8.6517 8.7850 10.7289 10.8639 11.3959 11.5261 14.1865 14.2513 14.8426 15.1335 k = 0.5000 0.1979 0.3324 ( 8118 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8872 -4.8869 -4.8814 -4.8797 -4.0625 -4.0607 -4.0330 -4.0302 -4.0153 -4.0147 3.5113 3.5345 6.1489 6.1793 6.8809 6.9034 7.4552 7.5303 7.7545 7.8079 8.6032 8.6462 8.6609 8.7810 10.8492 10.9768 11.4860 11.6092 14.1529 14.2105 14.7854 15.0772 k = 0.5000 0.2062 0.3208 ( 8106 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4885 -35.7988 -35.7982 -34.6087 -34.6085 -34.6081 -34.6077 -4.8869 -4.8867 -4.8815 -4.8801 -4.0626 -4.0608 -4.0329 -4.0306 -4.0152 -4.0148 3.4869 3.5080 6.1446 6.1712 6.8867 6.9042 7.4653 7.5275 7.7544 7.8050 8.6138 8.6463 8.6721 8.7777 10.9693 11.0878 11.5771 11.6911 14.1205 14.1704 14.7286 15.0194 k = 0.5000 0.2144 0.3091 ( 8106 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7982 -34.6087 -34.6084 -34.6081 -34.6077 -4.8867 -4.8865 -4.8817 -4.8805 -4.0626 -4.0609 -4.0329 -4.0309 -4.0151 -4.0148 3.4647 3.4836 6.1404 6.1634 6.8913 6.9044 7.4751 7.5260 7.7548 7.8018 8.6226 8.6464 8.6836 8.7749 11.0879 11.1956 11.6688 11.7713 14.0890 14.1308 14.6728 14.9595 k = 0.5000 0.2227 0.2974 ( 8104 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8865 -4.8863 -4.8819 -4.8809 -4.0626 -4.0611 -4.0329 -4.0312 -4.0150 -4.0148 3.4447 3.4616 6.1362 6.1560 6.8949 6.9042 7.4842 7.5254 7.7556 7.7985 8.6299 8.6466 8.6950 8.7727 11.2035 11.2988 11.7607 11.8494 14.0576 14.0912 14.6184 14.8936 k = 0.5000 0.2309 0.2858 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8862 -4.8860 -4.8821 -4.8813 -4.0626 -4.0612 -4.0329 -4.0314 -4.0150 -4.0148 3.4271 3.4418 6.1324 6.1491 6.8975 6.9038 7.4926 7.5255 7.7568 7.7951 8.6358 8.6470 8.7059 8.7708 11.3142 11.3955 11.8522 11.9251 14.0254 14.0509 14.5662 14.8019 k = 0.5000 0.2392 0.2741 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6085 -34.6084 -34.6081 -34.6079 -4.8859 -4.8858 -4.8824 -4.8817 -4.0626 -4.0614 -4.0329 -4.0317 -4.0149 -4.0148 3.4119 3.4245 6.1289 6.1429 6.8993 6.9033 7.5002 7.5261 7.7583 7.7917 8.6405 8.6475 8.7160 8.7693 11.4177 11.4840 11.9421 11.9978 13.9910 14.0096 14.5172 14.6853 k = 0.5000 0.2474 0.2624 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6085 -34.6084 -34.6082 -34.6079 -4.8856 -4.8855 -4.8826 -4.8821 -4.0626 -4.0615 -4.0329 -4.0319 -4.0149 -4.0148 3.3990 3.4095 6.1259 6.1373 6.9005 6.9029 7.5069 7.5268 7.7601 7.7883 8.6441 8.6482 8.7253 8.7679 11.5112 11.5625 12.0283 12.0669 13.9532 13.9670 14.4722 14.5772 k = 0.5000 0.2557 0.2508 ( 8100 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6084 -34.6083 -34.6082 -34.6080 -4.8853 -4.8852 -4.8829 -4.8825 -4.0625 -4.0617 -4.0329 -4.0321 -4.0148 -4.0148 3.3887 3.3971 6.1235 6.1325 6.9013 6.9025 7.5126 7.5275 7.7621 7.7849 8.6467 8.6488 8.7336 8.7664 11.5919 11.6293 12.1080 12.1311 13.9121 13.9235 14.4323 14.4888 k = 0.5000 0.2639 0.2391 ( 8090 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7984 -34.6084 -34.6083 -34.6082 -34.6080 -4.8850 -4.8849 -4.8831 -4.8829 -4.0625 -4.0618 -4.0328 -4.0322 -4.0148 -4.0148 3.3809 3.3871 6.1218 6.1284 6.9017 6.9022 7.5173 7.5279 7.7644 7.7815 8.6485 8.6494 8.7408 8.7647 11.6574 11.6828 12.1772 12.1884 13.8709 13.8807 14.3988 14.4232 k = 0.5000 0.2722 0.2275 ( 8078 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8847 -4.8846 -4.8834 -4.8833 -4.0624 -4.0619 -4.0328 -4.0324 -4.0148 -4.0148 3.3755 3.3797 6.1209 6.1252 6.9019 6.9020 7.5211 7.5279 7.7668 7.7783 8.6497 8.6499 8.7470 8.7626 11.7058 11.7215 12.2313 12.2350 13.8351 13.8425 14.3729 14.3802 k = 0.5000 0.2804 0.2158 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8844 -4.8844 -4.8837 -4.8836 -4.0623 -4.0621 -4.0327 -4.0325 -4.0148 -4.0148 3.3727 3.3748 6.1207 6.1229 6.9019 6.9019 7.5240 7.5274 7.7694 7.7752 8.6503 8.6503 8.7522 8.7599 11.7365 11.7439 12.2657 12.2662 13.8110 13.8150 14.3559 14.3569 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7985 -34.6083 -34.6083 -34.6081 -34.6081 -4.8842 -4.8842 -4.8839 -4.8839 -4.0622 -4.0622 -4.0326 -4.0326 -4.0148 -4.0148 3.3725 3.3725 6.1214 6.1214 6.9019 6.9019 7.5261 7.5261 7.7722 7.7722 8.6505 8.6505 8.7565 8.7565 11.7491 11.7491 12.2774 12.2774 13.8037 13.8037 14.3498 14.3498 k = 0.5000 0.2887 0.2041 ( 8086 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7985 -34.6083 -34.6083 -34.6081 -34.6081 -4.8842 -4.8842 -4.8839 -4.8839 -4.0622 -4.0622 -4.0326 -4.0326 -4.0148 -4.0148 3.3725 3.3725 6.1214 6.1214 6.9019 6.9019 7.5261 7.5261 7.7722 7.7722 8.6505 8.6505 8.7565 8.7565 11.7491 11.7491 12.2774 12.2774 13.8037 13.8037 14.3498 14.3498 k = 0.4958 0.2863 0.2177 ( 8080 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8844 -4.8844 -4.8837 -4.8836 -4.0623 -4.0621 -4.0327 -4.0325 -4.0148 -4.0148 3.3728 3.3749 6.1207 6.1229 6.9019 6.9019 7.5240 7.5274 7.7694 7.7752 8.6503 8.6503 8.7522 8.7599 11.7363 11.7438 12.2656 12.2658 13.8112 13.8152 14.3565 14.3566 k = 0.4917 0.2839 0.2313 ( 8077 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7985 -35.7984 -34.6083 -34.6083 -34.6082 -34.6081 -4.8847 -4.8847 -4.8834 -4.8833 -4.0624 -4.0619 -4.0328 -4.0324 -4.0148 -4.0148 3.3756 3.3798 6.1209 6.1253 6.9019 6.9020 7.5211 7.5279 7.7667 7.7784 8.6497 8.6499 8.7469 8.7626 11.7051 11.7208 12.2314 12.2331 13.8357 13.8431 14.3769 14.3773 k = 0.4875 0.2815 0.2449 ( 8093 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7984 -34.6084 -34.6083 -34.6082 -34.6080 -4.8850 -4.8850 -4.8831 -4.8829 -4.0625 -4.0618 -4.0328 -4.0322 -4.0148 -4.0148 3.3811 3.3874 6.1219 6.1286 6.9019 6.9020 7.5172 7.5279 7.7643 7.7816 8.6486 8.6493 8.7406 8.7647 11.6559 11.6809 12.1785 12.1836 13.8720 13.8815 14.4119 14.4132 k = 0.4833 0.2791 0.2586 ( 8099 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6084 -34.6083 -34.6082 -34.6080 -4.8853 -4.8852 -4.8828 -4.8825 -4.0625 -4.0617 -4.0329 -4.0321 -4.0148 -4.0148 3.3891 3.3976 6.1236 6.1327 6.9017 6.9021 7.5124 7.5274 7.7620 7.7850 8.6468 8.6485 8.7332 8.7665 11.5899 11.6253 12.1118 12.1224 13.9128 13.9233 14.4626 14.4655 k = 0.4792 0.2766 0.2722 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7986 -35.7983 -34.6085 -34.6084 -34.6082 -34.6079 -4.8856 -4.8855 -4.8826 -4.8821 -4.0626 -4.0615 -4.0329 -4.0319 -4.0149 -4.0148 3.3996 3.4102 6.1260 6.1376 6.9013 6.9021 7.5066 7.5266 7.7600 7.7884 8.6444 8.6476 8.7248 8.7680 11.5087 11.5554 12.0358 12.0535 13.9523 13.9623 14.5293 14.5342 k = 0.4750 0.2742 0.2858 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6085 -34.6084 -34.6081 -34.6078 -4.8859 -4.8858 -4.8823 -4.8817 -4.0626 -4.0614 -4.0329 -4.0317 -4.0149 -4.0148 3.4127 3.4255 6.1290 6.1432 6.9007 6.9020 7.5000 7.5257 7.7582 7.7919 8.6410 8.6466 8.7154 8.7696 11.4148 11.4729 11.9543 11.9799 13.9867 13.9953 14.6110 14.6183 k = 0.4708 0.2718 0.2994 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8862 -4.8861 -4.8821 -4.8813 -4.0626 -4.0612 -4.0329 -4.0314 -4.0150 -4.0148 3.4283 3.4432 6.1325 6.1495 6.8998 6.9017 7.4924 7.5249 7.7567 7.7954 8.6366 8.6453 8.7050 8.7715 11.3108 11.3800 11.8697 11.9034 14.0151 14.0214 14.7048 14.7151 k = 0.4667 0.2694 0.3130 ( 8113 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7987 -35.7983 -34.6086 -34.6084 -34.6081 -34.6078 -4.8864 -4.8864 -4.8818 -4.8809 -4.0626 -4.0611 -4.0329 -4.0312 -4.0151 -4.0147 3.4463 3.4633 6.1363 6.1564 6.8984 6.9012 7.4841 7.5243 7.7556 7.7988 8.6311 8.6437 8.6941 8.7740 11.1994 11.2789 11.7836 11.8248 14.0377 14.0415 14.8081 14.8216 k = 0.4625 0.2670 0.3266 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7982 -34.6087 -34.6084 -34.6081 -34.6077 -4.8867 -4.8866 -4.8816 -4.8805 -4.0626 -4.0609 -4.0329 -4.0309 -4.0152 -4.0147 3.4666 3.4858 6.1403 6.1637 6.8966 6.9003 7.4751 7.5242 7.7547 7.8021 8.6245 8.6412 8.6831 8.7772 11.0829 11.1717 11.6967 11.7449 14.0558 14.0568 14.9183 14.9355 k = 0.4583 0.2646 0.3402 ( 8115 PWs) bands (ev): -81.2376 -81.2376 -48.1096 -48.1096 -36.4886 -36.4886 -35.7988 -35.7982 -34.6087 -34.6085 -34.6081 -34.6077 -4.8869 -4.8868 -4.8814 -4.8802 -4.0626 -4.0608 -4.0329 -4.0306 -4.0153 -4.0146 3.4893 3.5106 6.1443 6.1713 6.8943 6.8990 7.4655 7.5249 7.7544 7.8052 8.6166 8.6365 8.6735 8.7813 10.9635 11.0605 11.6095 11.6639 14.0685 14.0702 15.0338 15.0549 k = 0.4542 0.2622 0.3538 ( 8127 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4886 -36.4886 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8872 -4.8870 -4.8812 -4.8798 -4.0625 -4.0607 -4.0329 -4.0302 -4.0155 -4.0146 3.5141 3.5376 6.1479 6.1790 6.8916 6.8972 7.4555 7.5263 7.7545 7.8081 8.6075 8.6283 8.6669 8.7865 10.8428 10.9471 11.5222 11.5822 14.0777 14.0820 15.1535 15.1789 k = 0.4500 0.2598 0.3674 ( 8125 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6076 -4.8874 -4.8872 -4.8810 -4.8794 -4.0625 -4.0605 -4.0329 -4.0299 -4.0156 -4.0145 3.5411 3.5668 6.1510 6.1864 6.8885 6.8949 7.4451 7.5288 7.7551 7.8107 8.5973 8.6159 8.6639 8.7928 10.7223 10.8329 11.4350 11.5000 14.0851 14.0917 15.2768 15.3067 k = 0.4458 0.2574 0.3810 ( 8127 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7989 -35.7982 -34.6088 -34.6085 -34.6081 -34.6075 -4.8876 -4.8873 -4.8808 -4.8790 -4.0624 -4.0604 -4.0330 -4.0295 -4.0158 -4.0143 3.5701 3.5980 6.1531 6.1934 6.8852 6.8922 7.4346 7.5325 7.7565 7.8129 8.5860 8.6006 8.6635 8.8004 10.6030 10.7190 11.3481 11.4176 14.0911 14.0998 15.4029 15.4379 k = 0.4417 0.2550 0.3946 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6085 -34.6081 -34.6075 -4.8878 -4.8875 -4.8807 -4.8787 -4.0623 -4.0603 -4.0330 -4.0290 -4.0160 -4.0142 3.6010 3.6310 6.1540 6.1994 6.8819 6.8892 7.4241 7.5375 7.7585 7.8147 8.5739 8.5835 8.6649 8.8093 10.4860 10.6066 11.2614 11.3351 14.0961 14.1068 15.5309 15.5720 k = 0.4375 0.2526 0.4082 ( 8136 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7990 -35.7982 -34.6089 -34.6086 -34.6081 -34.6075 -4.8880 -4.8876 -4.8806 -4.8783 -4.0622 -4.0602 -4.0330 -4.0286 -4.0162 -4.0141 3.6336 3.6659 6.1531 6.2041 6.8790 6.8860 7.4137 7.5437 7.7614 7.8159 8.5609 8.5652 8.6676 8.8194 10.3721 10.4963 11.1753 11.2529 14.1005 14.1128 15.6594 15.7086 k = 0.4333 0.2502 0.4219 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7990 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8882 -4.8877 -4.8805 -4.8780 -4.0622 -4.0602 -4.0330 -4.0282 -4.0164 -4.0139 3.6678 3.7023 6.1501 6.2069 6.8769 6.8831 7.4037 7.5513 7.7653 7.8164 8.5463 8.5474 8.6714 8.8308 10.2618 10.3888 11.0899 11.1712 14.1043 14.1180 15.7855 15.8465 k = 0.4292 0.2478 0.4355 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1096 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8883 -4.8877 -4.8804 -4.8777 -4.0621 -4.0601 -4.0330 -4.0277 -4.0167 -4.0137 3.7034 3.7401 6.1444 6.2072 6.8760 6.8810 7.3940 7.5601 7.7701 7.8163 8.5271 8.5335 8.6761 8.8434 10.1558 10.2847 11.0053 11.0901 14.1078 14.1227 15.9032 15.9822 k = 0.4250 0.2454 0.4491 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8885 -4.8878 -4.8803 -4.8774 -4.0619 -4.0600 -4.0330 -4.0272 -4.0169 -4.0135 3.7401 3.7791 6.1357 6.2045 6.8769 6.8803 7.3847 7.5699 7.7759 7.8155 8.5080 8.5194 8.6817 8.8572 10.0546 10.1845 10.9218 11.0099 14.1110 14.1270 16.0001 16.0995 k = 0.4208 0.2430 0.4627 ( 8117 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7991 -35.7982 -34.6090 -34.6086 -34.6081 -34.6074 -4.8886 -4.8878 -4.8803 -4.8771 -4.0618 -4.0600 -4.0330 -4.0267 -4.0172 -4.0133 3.7778 3.8190 6.1236 6.1980 6.8798 6.8816 7.3760 7.5807 7.7828 7.8139 8.4893 8.5052 8.6880 8.8719 9.9586 10.0886 10.8394 10.9307 14.1141 14.1309 16.0621 16.1561 k = 0.4167 0.2406 0.4763 ( 8111 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6086 -34.6081 -34.6073 -4.8887 -4.8878 -4.8803 -4.8768 -4.0617 -4.0600 -4.0331 -4.0261 -4.0175 -4.0131 3.8161 3.8595 6.1079 6.1875 6.8854 6.8856 7.3678 7.5922 7.7907 7.8117 8.4713 8.4912 8.6948 8.8874 9.8682 9.9973 10.7584 10.8528 14.1171 14.1345 16.0862 16.1612 k = 0.4125 0.2382 0.4899 ( 8117 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8888 -4.8878 -4.8803 -4.8766 -4.0616 -4.0600 -4.0331 -4.0256 -4.0177 -4.0129 3.8548 3.9003 6.0885 6.1725 6.8930 6.8939 7.3601 7.6041 7.7996 7.8088 8.4546 8.4777 8.7021 8.9034 9.7838 9.9111 10.6789 10.7763 14.1199 14.1379 16.0797 16.1390 k = 0.4083 0.2358 0.5035 ( 8109 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8889 -4.8878 -4.8803 -4.8763 -4.0615 -4.0600 -4.0331 -4.0251 -4.0180 -4.0126 3.8933 3.9410 6.0657 6.1530 6.9041 6.9054 7.3529 7.6160 7.8055 7.8094 8.4395 8.4647 8.7094 8.9196 9.7059 9.8305 10.6011 10.7014 14.1228 14.1411 16.0512 16.0994 k = 0.4042 0.2333 0.5171 ( 8108 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8889 -4.8878 -4.8804 -4.8761 -4.0615 -4.0600 -4.0331 -4.0245 -4.0183 -4.0124 3.9314 3.9812 6.0397 6.1293 6.9193 6.9200 7.3463 7.6274 7.8022 7.8198 8.4262 8.4527 8.7165 8.9354 9.6348 9.7561 10.5252 10.6284 14.1256 14.1442 16.0075 16.0477 k = 0.4000 0.2309 0.5307 ( 8105 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8877 -4.8804 -4.8760 -4.0614 -4.0600 -4.0331 -4.0240 -4.0186 -4.0122 3.9685 4.0202 6.0110 6.1018 6.9377 6.9387 7.3403 7.6379 7.7991 7.8306 8.4152 8.4417 8.7227 8.9500 9.5711 9.6885 10.4514 10.5573 14.1285 14.1473 15.9535 15.9877 k = 0.3958 0.2285 0.5443 ( 8119 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4885 -35.7992 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8876 -4.8805 -4.8758 -4.0613 -4.0600 -4.0331 -4.0235 -4.0188 -4.0120 4.0041 4.0576 5.9804 6.0714 6.9583 6.9622 7.3348 7.6470 7.7969 7.8417 8.4065 8.4322 8.7276 8.9624 9.5152 9.6288 10.3800 10.4885 14.1314 14.1502 15.8924 15.9222 k = 0.3917 0.2261 0.5579 ( 8122 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4885 -36.4884 -35.7993 -35.7982 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8876 -4.8806 -4.8757 -4.0613 -4.0601 -4.0331 -4.0231 -4.0190 -4.0118 4.0374 4.0926 5.9486 6.0389 6.9814 6.9895 7.3301 7.6541 7.7963 7.8525 8.4004 8.4242 8.7304 8.9712 9.4678 9.5782 10.3112 10.4221 14.1343 14.1532 15.8268 15.8530 k = 0.3875 0.2237 0.5715 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8875 -4.8807 -4.8756 -4.0612 -4.0601 -4.0331 -4.0227 -4.0191 -4.0117 4.0680 4.1244 5.9168 6.0056 7.0066 7.0203 7.3264 7.6589 7.7976 7.8628 8.3969 8.4180 8.7306 8.9752 9.4295 9.5381 10.2453 10.3585 14.1373 14.1560 15.7582 15.7816 k = 0.3833 0.2213 0.5852 ( 8124 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8874 -4.8808 -4.8755 -4.0612 -4.0602 -4.0331 -4.0225 -4.0191 -4.0115 4.0948 4.1523 5.8860 5.9724 7.0335 7.0540 7.3240 7.6616 7.8014 7.8722 8.3957 8.4138 8.7277 8.9727 9.4006 9.5098 10.1826 10.2978 14.1402 14.1589 15.6880 15.7089 k = 0.3792 0.2189 0.5988 ( 8126 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8873 -4.8810 -4.8754 -4.0612 -4.0603 -4.0331 -4.0224 -4.0189 -4.0114 4.1173 4.1752 5.8574 5.9406 7.0615 7.0897 7.3237 7.6626 7.8075 7.8802 8.3965 8.4116 8.7216 8.9632 9.3813 9.4939 10.1235 10.2405 14.1432 14.1618 15.6171 15.6357 k = 0.3750 0.2165 0.6124 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.6250-0.0722 0.4082 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8890 -4.8871 -4.8811 -4.8754 -4.0612 -4.0603 -4.0330 -4.0225 -4.0187 -4.0113 4.1344 4.1923 5.8321 5.9116 7.0898 7.1260 7.3268 7.6627 7.8159 7.8867 8.3987 8.4115 8.7126 8.9467 9.3716 9.4903 10.0685 10.1868 14.1462 14.1646 15.5460 15.5627 k = 0.6181-0.0842 0.4082 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7993 -35.7983 -34.6091 -34.6087 -34.6081 -34.6073 -4.8889 -4.8869 -4.8813 -4.8754 -4.0612 -4.0605 -4.0330 -4.0227 -4.0181 -4.0112 4.1569 4.2140 5.7940 5.8668 7.1379 7.1871 7.3363 7.6625 7.8336 7.8967 8.4034 8.4127 8.6966 8.9160 9.3625 9.4921 9.9815 10.1017 14.1509 14.1691 15.4282 15.4417 k = 0.6111-0.0962 0.4082 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7983 -34.6090 -34.6087 -34.6081 -34.6073 -4.8889 -4.8867 -4.8815 -4.8754 -4.0612 -4.0606 -4.0329 -4.0229 -4.0176 -4.0110 4.1768 4.2326 5.7575 5.8239 7.1875 7.2503 7.3468 7.6618 7.8548 7.9080 8.4084 8.4133 8.6825 8.8889 9.3521 9.4908 9.8967 10.0187 14.1551 14.1730 15.3121 15.3224 k = 0.6042-0.1083 0.4082 ( 8112 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7983 -34.6090 -34.6087 -34.6081 -34.6074 -4.8888 -4.8865 -4.8818 -4.8754 -4.0613 -4.0608 -4.0327 -4.0232 -4.0170 -4.0109 4.1943 4.2485 5.7228 5.7832 7.2379 7.3147 7.3583 7.6609 7.8795 7.9210 8.4135 8.4135 8.6710 8.8655 9.3400 9.4858 9.8145 9.9379 14.1585 14.1762 15.1985 15.2058 k = 0.5972-0.1203 0.4082 ( 8114 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6090 -34.6087 -34.6081 -34.6074 -4.8887 -4.8863 -4.8820 -4.8755 -4.0613 -4.0609 -4.0326 -4.0235 -4.0165 -4.0107 4.2095 4.2617 5.6900 5.7446 7.2881 7.3692 7.3808 7.6596 7.9078 7.9361 8.4132 8.4185 8.6623 8.8460 9.3257 9.4764 9.7354 9.8594 14.1611 14.1786 15.0887 15.0931 k = 0.5903-0.1323 0.4082 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6089 -34.6087 -34.6081 -34.6074 -4.8886 -4.8861 -4.8821 -4.8756 -4.0614 -4.0611 -4.0324 -4.0238 -4.0159 -4.0106 4.2228 4.2725 5.6593 5.7085 7.3373 7.3828 7.4440 7.6580 7.9399 7.9538 8.4126 8.4235 8.6569 8.8302 9.3090 9.4615 9.6606 9.7833 14.1628 14.1801 14.9836 14.9852 k = 0.5833-0.1443 0.4082 ( 8102 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6089 -34.6087 -34.6082 -34.6075 -4.8885 -4.8859 -4.8823 -4.8757 -4.0614 -4.0612 -4.0323 -4.0242 -4.0154 -4.0105 4.2342 4.2812 5.6308 5.6749 7.3847 7.3962 7.5053 7.6561 7.9753 7.9760 8.4119 8.4281 8.6550 8.8180 9.2895 9.4391 9.5919 9.7096 14.1632 14.1804 14.8832 14.8842 k = 0.5764-0.1564 0.4082 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7992 -35.7984 -34.6089 -34.6087 -34.6082 -34.6075 -4.8884 -4.8857 -4.8824 -4.8759 -4.0615 -4.0613 -4.0321 -4.0246 -4.0148 -4.0104 4.2440 4.2879 5.6045 5.6438 7.4101 7.4296 7.5622 7.6536 8.0016 8.0162 8.4113 8.4323 8.6569 8.8092 9.2672 9.4059 9.5328 9.6385 14.1623 14.1792 14.7881 14.7914 k = 0.5694-0.1684 0.4082 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6088 -34.6087 -34.6082 -34.6075 -4.8883 -4.8856 -4.8824 -4.8761 -4.0616 -4.0615 -4.0319 -4.0249 -4.0143 -4.0103 4.2523 4.2929 5.5805 5.6152 7.4243 7.4712 7.6126 7.6505 8.0343 8.0604 8.4110 8.4360 8.6626 8.8035 9.2419 9.3599 9.4854 9.5702 14.1596 14.1763 14.7010 14.7063 k = 0.5625-0.1804 0.4082 ( 8110 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6088 -34.6087 -34.6082 -34.6076 -4.8882 -4.8855 -4.8823 -4.8764 -4.0616 -4.0616 -4.0316 -4.0253 -4.0138 -4.0102 4.2594 4.2964 5.5589 5.5893 7.4388 7.5093 7.6467 7.6546 8.0744 8.1084 8.4114 8.4391 8.6719 8.8004 9.2139 9.3043 9.4468 9.5048 14.1547 14.1710 14.6228 14.6297 k = 0.5556-0.1925 0.4082 ( 8120 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7991 -35.7985 -34.6088 -34.6087 -34.6082 -34.6076 -4.8881 -4.8855 -4.8822 -4.8766 -4.0617 -4.0617 -4.0314 -4.0257 -4.0134 -4.0102 4.2654 4.2987 5.5396 5.5661 7.4535 7.5437 7.6419 7.6873 8.1221 8.1598 8.4126 8.4417 8.6843 8.7994 9.1835 9.2452 9.4118 9.4424 14.1473 14.1629 14.5546 14.5628 k = 0.5486-0.2045 0.4082 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7986 -34.6087 -34.6087 -34.6082 -34.6077 -4.8879 -4.8856 -4.8820 -4.8769 -4.0618 -4.0618 -4.0311 -4.0261 -4.0129 -4.0101 4.2705 4.3000 5.5228 5.5454 7.4684 7.5747 7.6362 7.7108 8.1767 8.2138 8.4147 8.4437 8.6989 8.7992 9.1516 9.1869 9.3771 9.3832 14.1370 14.1517 14.4975 14.5061 k = 0.5417-0.2165 0.4082 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7986 -34.6087 -34.6087 -34.6082 -34.6077 -4.8878 -4.8857 -4.8817 -4.8772 -4.0618 -4.0618 -4.0308 -4.0265 -4.0125 -4.0101 4.2749 4.3004 5.5084 5.5274 7.4832 7.6023 7.6295 7.7263 8.2363 8.2696 8.4181 8.4453 8.7139 8.7982 9.1198 9.1328 9.3274 9.3413 14.1241 14.1372 14.4517 14.4602 k = 0.5347-0.2285 0.4082 ( 8128 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7990 -35.7986 -34.6087 -34.6087 -34.6082 -34.6078 -4.8876 -4.8858 -4.8813 -4.8775 -4.0619 -4.0619 -4.0305 -4.0269 -4.0121 -4.0101 4.2787 4.3001 5.4964 5.5120 7.4980 7.6211 7.6274 7.7349 8.2982 8.3260 8.4233 8.4470 8.7264 8.7933 9.0866 9.0907 9.2751 9.3040 14.1092 14.1203 14.4170 14.4245 k = 0.5278-0.2406 0.4082 ( 8116 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7987 -34.6087 -34.6087 -34.6081 -34.6078 -4.8875 -4.8860 -4.8810 -4.8779 -4.0620 -4.0619 -4.0302 -4.0273 -4.0118 -4.0102 4.2821 4.2992 5.4869 5.4991 7.5127 7.6126 7.6490 7.7381 8.3578 8.3805 8.4330 8.4506 8.7322 8.7804 9.0528 9.0683 9.2267 9.2654 14.0938 14.1025 14.3921 14.3982 k = 0.5208-0.2526 0.4082 ( 8134 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7987 -34.6086 -34.6086 -34.6081 -34.6079 -4.8873 -4.8862 -4.8806 -4.8783 -4.0620 -4.0620 -4.0299 -4.0277 -4.0115 -4.0103 4.2850 4.2979 5.4798 5.4889 7.5271 7.6027 7.6685 7.7369 8.4005 8.4204 8.4597 8.4682 8.7260 8.7557 9.0350 9.0572 9.1827 9.2262 14.0795 14.0859 14.3751 14.3798 k = 0.5139-0.2646 0.4082 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7988 -34.6086 -34.6086 -34.6081 -34.6079 -4.8871 -4.8864 -4.8802 -4.8786 -4.0620 -4.0620 -4.0295 -4.0281 -4.0112 -4.0104 4.2877 4.2963 5.4751 5.4811 7.5411 7.5919 7.6858 7.7321 8.4169 8.4307 8.5111 8.5141 8.7047 8.7191 9.0334 9.0594 9.1442 9.1875 14.0682 14.0723 14.3646 14.3676 k = 0.5069-0.2766 0.4082 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7989 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8869 -4.8866 -4.8798 -4.8790 -4.0620 -4.0620 -4.0292 -4.0285 -4.0109 -4.0105 4.2902 4.2945 5.4729 5.4759 7.5548 7.5803 7.7008 7.7242 8.4240 8.4309 8.5683 8.5683 8.6690 8.6735 9.0445 9.0688 9.1170 9.1512 14.0612 14.0632 14.3590 14.3605 k = 0.5000-0.2887 0.4082 ( 8144 PWs) bands (ev): -81.2376 -81.2376 -48.1097 -48.1097 -36.4884 -36.4884 -35.7988 -35.7988 -34.6086 -34.6086 -34.6080 -34.6080 -4.8868 -4.8868 -4.8794 -4.8794 -4.0620 -4.0620 -4.0288 -4.0288 -4.0107 -4.0107 4.2924 4.2924 5.4731 5.4731 7.5678 7.5678 7.7137 7.7137 8.4284 8.4284 8.6222 8.6222 8.6223 8.6223 9.0620 9.0620 9.1218 9.1218 14.0594 14.0594 14.3577 14.3577 Writing output data file Li2InIr.save init_run : 0.94s CPU 0.55s WALL ( 1 calls) electrons : 300.28s CPU 192.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 300.28s CPU 192.45s 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 : 0.18s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.62s CPU 0.65s WALL ( 327 calls) cegterg : 250.96s CPU 163.44s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 212.74s CPU 124.69s WALL ( 6137 calls) s_psi : 7.37s CPU 4.74s WALL ( 6137 calls) g_psi : 0.45s CPU 0.31s WALL ( 5457 calls) cdiaghg : 44.62s CPU 35.77s WALL ( 5784 calls) cegterg:over : 9.92s CPU 7.19s WALL ( 5457 calls) cegterg:upda : 9.04s CPU 6.81s WALL ( 5457 calls) cegterg:last : 4.18s CPU 3.52s WALL ( 1007 calls) cdiaghg:chol : 2.55s CPU 2.12s WALL ( 5784 calls) cdiaghg:inve : 1.22s CPU 1.04s WALL ( 5784 calls) cdiaghg:para : 2.58s CPU 2.05s WALL ( 11568 calls) Called by h_psi: h_psi:vloc : 197.45s CPU 114.67s WALL ( 6137 calls) h_psi:vnl : 14.81s CPU 9.69s WALL ( 6137 calls) add_vuspsi : 7.89s CPU 5.03s WALL ( 6137 calls) General routines calbec : 6.87s CPU 4.64s WALL ( 6137 calls) fft : 0.13s CPU 0.07s WALL ( 15 calls) fftw : 187.58s CPU 108.22s WALL ( 561780 calls) davcio : 0.29s CPU 1.45s WALL ( 654 calls) Parallel routines fft_scatter : 68.32s CPU 43.88s WALL ( 561795 calls) PWSCF : 5m22.65s CPU 3m49.79s WALL This run was terminated on: 4: 5:34 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=