Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:59 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: ./VSbRu.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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 81 40 11 2899 994 154 Max 82 41 12 2903 1019 156 Sum 2917 1453 421 104459 36325 5577 bravais-lattice index = 14 lattice parameter (alat) = 8.1043 a.u. unit-cell volume = 376.3821 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.104284 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 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 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ru 16.00 101.07000 Ru( 1.00) V 13.00 50.94150 V( 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= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 -0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211538), wk = 0.0028902 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 -0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 -0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 -0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 -0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038461), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 -0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 -0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954545), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545454), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954545 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117187), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742187), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959459), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 104459 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 36325 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 248, 42) NL pseudopotentials 0.19 Mb ( 124, 102) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2903) G-vector shells 0.01 Mb ( 663) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 248, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./VSbRu.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.8 secs Computing kpt #: 26 total cpu time spent up to now is 15.5 secs Computing kpt #: 27 total cpu time spent up to now is 16.1 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.2 secs Computing kpt #: 31 total cpu time spent up to now is 18.8 secs Computing kpt #: 32 total cpu time spent up to now is 19.5 secs Computing kpt #: 33 total cpu time spent up to now is 20.1 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.5 secs Computing kpt #: 36 total cpu time spent up to now is 22.1 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.5 secs Computing kpt #: 39 total cpu time spent up to now is 24.2 secs Computing kpt #: 40 total cpu time spent up to now is 24.8 secs Computing kpt #: 41 total cpu time spent up to now is 25.4 secs Computing kpt #: 42 total cpu time spent up to now is 26.2 secs Computing kpt #: 43 total cpu time spent up to now is 26.8 secs Computing kpt #: 44 total cpu time spent up to now is 27.5 secs Computing kpt #: 45 total cpu time spent up to now is 28.2 secs Computing kpt #: 46 total cpu time spent up to now is 28.9 secs Computing kpt #: 47 total cpu time spent up to now is 29.4 secs Computing kpt #: 48 total cpu time spent up to now is 30.2 secs Computing kpt #: 49 total cpu time spent up to now is 30.9 secs Computing kpt #: 50 total cpu time spent up to now is 31.4 secs Computing kpt #: 51 total cpu time spent up to now is 31.9 secs Computing kpt #: 52 total cpu time spent up to now is 32.4 secs Computing kpt #: 53 total cpu time spent up to now is 32.9 secs Computing kpt #: 54 total cpu time spent up to now is 33.4 secs Computing kpt #: 55 total cpu time spent up to now is 34.0 secs Computing kpt #: 56 total cpu time spent up to now is 34.7 secs Computing kpt #: 57 total cpu time spent up to now is 35.3 secs Computing kpt #: 58 total cpu time spent up to now is 36.0 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.3 secs Computing kpt #: 61 total cpu time spent up to now is 38.0 secs Computing kpt #: 62 total cpu time spent up to now is 38.7 secs Computing kpt #: 63 total cpu time spent up to now is 39.7 secs Computing kpt #: 64 total cpu time spent up to now is 40.4 secs Computing kpt #: 65 total cpu time spent up to now is 41.0 secs Computing kpt #: 66 total cpu time spent up to now is 41.6 secs Computing kpt #: 67 total cpu time spent up to now is 42.3 secs Computing kpt #: 68 total cpu time spent up to now is 42.9 secs Computing kpt #: 69 total cpu time spent up to now is 43.5 secs Computing kpt #: 70 total cpu time spent up to now is 44.1 secs Computing kpt #: 71 total cpu time spent up to now is 44.8 secs Computing kpt #: 72 total cpu time spent up to now is 45.5 secs Computing kpt #: 73 total cpu time spent up to now is 46.1 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 47.4 secs Computing kpt #: 76 total cpu time spent up to now is 48.1 secs Computing kpt #: 77 total cpu time spent up to now is 48.7 secs Computing kpt #: 78 total cpu time spent up to now is 49.4 secs Computing kpt #: 79 total cpu time spent up to now is 50.1 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.2 secs Computing kpt #: 82 total cpu time spent up to now is 52.0 secs Computing kpt #: 83 total cpu time spent up to now is 52.7 secs Computing kpt #: 84 total cpu time spent up to now is 53.7 secs Computing kpt #: 85 total cpu time spent up to now is 54.3 secs Computing kpt #: 86 total cpu time spent up to now is 55.0 secs Computing kpt #: 87 total cpu time spent up to now is 55.7 secs Computing kpt #: 88 total cpu time spent up to now is 56.2 secs Computing kpt #: 89 total cpu time spent up to now is 56.8 secs Computing kpt #: 90 total cpu time spent up to now is 57.5 secs Computing kpt #: 91 total cpu time spent up to now is 58.1 secs Computing kpt #: 92 total cpu time spent up to now is 58.7 secs Computing kpt #: 93 total cpu time spent up to now is 59.3 secs Computing kpt #: 94 total cpu time spent up to now is 59.9 secs Computing kpt #: 95 total cpu time spent up to now is 60.5 secs Computing kpt #: 96 total cpu time spent up to now is 61.1 secs Computing kpt #: 97 total cpu time spent up to now is 61.7 secs Computing kpt #: 98 total cpu time spent up to now is 62.3 secs Computing kpt #: 99 total cpu time spent up to now is 63.1 secs Computing kpt #: 100 total cpu time spent up to now is 63.8 secs Computing kpt #: 101 total cpu time spent up to now is 64.7 secs Computing kpt #: 102 total cpu time spent up to now is 65.5 secs Computing kpt #: 103 total cpu time spent up to now is 66.1 secs Computing kpt #: 104 total cpu time spent up to now is 66.7 secs Computing kpt #: 105 total cpu time spent up to now is 67.2 secs Computing kpt #: 106 total cpu time spent up to now is 67.9 secs Computing kpt #: 107 total cpu time spent up to now is 68.5 secs Computing kpt #: 108 total cpu time spent up to now is 69.0 secs Computing kpt #: 109 total cpu time spent up to now is 69.5 secs Computing kpt #: 110 total cpu time spent up to now is 69.9 secs Computing kpt #: 111 total cpu time spent up to now is 70.4 secs Computing kpt #: 112 total cpu time spent up to now is 70.8 secs Computing kpt #: 113 total cpu time spent up to now is 71.3 secs Computing kpt #: 114 total cpu time spent up to now is 71.8 secs Computing kpt #: 115 total cpu time spent up to now is 72.2 secs Computing kpt #: 116 total cpu time spent up to now is 72.7 secs Computing kpt #: 117 total cpu time spent up to now is 73.2 secs Computing kpt #: 118 total cpu time spent up to now is 73.7 secs Computing kpt #: 119 total cpu time spent up to now is 74.1 secs Computing kpt #: 120 total cpu time spent up to now is 74.6 secs Computing kpt #: 121 total cpu time spent up to now is 75.1 secs Computing kpt #: 122 total cpu time spent up to now is 75.5 secs Computing kpt #: 123 total cpu time spent up to now is 75.9 secs Computing kpt #: 124 total cpu time spent up to now is 76.4 secs Computing kpt #: 125 total cpu time spent up to now is 76.8 secs Computing kpt #: 126 total cpu time spent up to now is 77.3 secs Computing kpt #: 127 total cpu time spent up to now is 77.7 secs Computing kpt #: 128 total cpu time spent up to now is 78.2 secs Computing kpt #: 129 total cpu time spent up to now is 78.7 secs Computing kpt #: 130 total cpu time spent up to now is 79.1 secs Computing kpt #: 131 total cpu time spent up to now is 79.6 secs Computing kpt #: 132 total cpu time spent up to now is 80.0 secs Computing kpt #: 133 total cpu time spent up to now is 80.4 secs Computing kpt #: 134 total cpu time spent up to now is 80.9 secs Computing kpt #: 135 total cpu time spent up to now is 81.4 secs Computing kpt #: 136 total cpu time spent up to now is 81.8 secs Computing kpt #: 137 total cpu time spent up to now is 82.3 secs Computing kpt #: 138 total cpu time spent up to now is 82.7 secs Computing kpt #: 139 total cpu time spent up to now is 83.2 secs Computing kpt #: 140 total cpu time spent up to now is 83.7 secs Computing kpt #: 141 total cpu time spent up to now is 84.1 secs Computing kpt #: 142 total cpu time spent up to now is 84.6 secs Computing kpt #: 143 total cpu time spent up to now is 85.0 secs Computing kpt #: 144 total cpu time spent up to now is 85.5 secs Computing kpt #: 145 total cpu time spent up to now is 85.9 secs Computing kpt #: 146 total cpu time spent up to now is 86.4 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.4 secs Computing kpt #: 149 total cpu time spent up to now is 87.9 secs Computing kpt #: 150 total cpu time spent up to now is 88.4 secs Computing kpt #: 151 total cpu time spent up to now is 88.9 secs Computing kpt #: 152 total cpu time spent up to now is 89.4 secs Computing kpt #: 153 total cpu time spent up to now is 89.9 secs Computing kpt #: 154 total cpu time spent up to now is 90.3 secs Computing kpt #: 155 total cpu time spent up to now is 90.7 secs Computing kpt #: 156 total cpu time spent up to now is 91.1 secs Computing kpt #: 157 total cpu time spent up to now is 91.6 secs Computing kpt #: 158 total cpu time spent up to now is 92.0 secs Computing kpt #: 159 total cpu time spent up to now is 92.5 secs Computing kpt #: 160 total cpu time spent up to now is 93.0 secs Computing kpt #: 161 total cpu time spent up to now is 93.5 secs Computing kpt #: 162 total cpu time spent up to now is 94.0 secs Computing kpt #: 163 total cpu time spent up to now is 94.4 secs Computing kpt #: 164 total cpu time spent up to now is 94.9 secs Computing kpt #: 165 total cpu time spent up to now is 95.4 secs Computing kpt #: 166 total cpu time spent up to now is 95.9 secs Computing kpt #: 167 total cpu time spent up to now is 96.4 secs Computing kpt #: 168 total cpu time spent up to now is 96.9 secs Computing kpt #: 169 total cpu time spent up to now is 97.4 secs Computing kpt #: 170 total cpu time spent up to now is 97.9 secs Computing kpt #: 171 total cpu time spent up to now is 98.4 secs Computing kpt #: 172 total cpu time spent up to now is 98.8 secs Computing kpt #: 173 total cpu time spent up to now is 99.4 secs Computing kpt #: 174 total cpu time spent up to now is 99.8 secs Computing kpt #: 175 total cpu time spent up to now is 100.3 secs Computing kpt #: 176 total cpu time spent up to now is 100.8 secs Computing kpt #: 177 total cpu time spent up to now is 101.3 secs Computing kpt #: 178 total cpu time spent up to now is 101.8 secs Computing kpt #: 179 total cpu time spent up to now is 102.3 secs Computing kpt #: 180 total cpu time spent up to now is 102.8 secs Computing kpt #: 181 total cpu time spent up to now is 103.3 secs Computing kpt #: 182 total cpu time spent up to now is 103.8 secs Computing kpt #: 183 total cpu time spent up to now is 104.3 secs Computing kpt #: 184 total cpu time spent up to now is 104.7 secs Computing kpt #: 185 total cpu time spent up to now is 105.2 secs Computing kpt #: 186 total cpu time spent up to now is 105.7 secs Computing kpt #: 187 total cpu time spent up to now is 106.1 secs Computing kpt #: 188 total cpu time spent up to now is 106.6 secs Computing kpt #: 189 total cpu time spent up to now is 107.1 secs Computing kpt #: 190 total cpu time spent up to now is 107.6 secs Computing kpt #: 191 total cpu time spent up to now is 108.1 secs Computing kpt #: 192 total cpu time spent up to now is 108.6 secs Computing kpt #: 193 total cpu time spent up to now is 109.0 secs Computing kpt #: 194 total cpu time spent up to now is 109.5 secs Computing kpt #: 195 total cpu time spent up to now is 110.0 secs Computing kpt #: 196 total cpu time spent up to now is 110.4 secs Computing kpt #: 197 total cpu time spent up to now is 110.9 secs Computing kpt #: 198 total cpu time spent up to now is 111.4 secs Computing kpt #: 199 total cpu time spent up to now is 111.8 secs Computing kpt #: 200 total cpu time spent up to now is 112.3 secs Computing kpt #: 201 total cpu time spent up to now is 112.7 secs Computing kpt #: 202 total cpu time spent up to now is 113.2 secs Computing kpt #: 203 total cpu time spent up to now is 113.6 secs Computing kpt #: 204 total cpu time spent up to now is 114.1 secs Computing kpt #: 205 total cpu time spent up to now is 114.6 secs Computing kpt #: 206 total cpu time spent up to now is 115.0 secs Computing kpt #: 207 total cpu time spent up to now is 115.5 secs Computing kpt #: 208 total cpu time spent up to now is 116.0 secs Computing kpt #: 209 total cpu time spent up to now is 116.4 secs Computing kpt #: 210 total cpu time spent up to now is 116.9 secs Computing kpt #: 211 total cpu time spent up to now is 117.5 secs Computing kpt #: 212 total cpu time spent up to now is 118.0 secs Computing kpt #: 213 total cpu time spent up to now is 118.6 secs Computing kpt #: 214 total cpu time spent up to now is 119.1 secs Computing kpt #: 215 total cpu time spent up to now is 119.5 secs Computing kpt #: 216 total cpu time spent up to now is 120.1 secs Computing kpt #: 217 total cpu time spent up to now is 120.6 secs Computing kpt #: 218 total cpu time spent up to now is 121.2 secs Computing kpt #: 219 total cpu time spent up to now is 121.7 secs Computing kpt #: 220 total cpu time spent up to now is 122.2 secs Computing kpt #: 221 total cpu time spent up to now is 122.6 secs Computing kpt #: 222 total cpu time spent up to now is 123.1 secs Computing kpt #: 223 total cpu time spent up to now is 123.7 secs Computing kpt #: 224 total cpu time spent up to now is 124.2 secs Computing kpt #: 225 total cpu time spent up to now is 124.7 secs Computing kpt #: 226 total cpu time spent up to now is 125.3 secs Computing kpt #: 227 total cpu time spent up to now is 125.9 secs Computing kpt #: 228 total cpu time spent up to now is 126.4 secs Computing kpt #: 229 total cpu time spent up to now is 127.0 secs Computing kpt #: 230 total cpu time spent up to now is 127.6 secs Computing kpt #: 231 total cpu time spent up to now is 128.3 secs Computing kpt #: 232 total cpu time spent up to now is 128.9 secs Computing kpt #: 233 total cpu time spent up to now is 129.6 secs Computing kpt #: 234 total cpu time spent up to now is 130.3 secs Computing kpt #: 235 total cpu time spent up to now is 131.1 secs Computing kpt #: 236 total cpu time spent up to now is 131.9 secs Computing kpt #: 237 total cpu time spent up to now is 132.7 secs Computing kpt #: 238 total cpu time spent up to now is 133.4 secs Computing kpt #: 239 total cpu time spent up to now is 134.0 secs Computing kpt #: 240 total cpu time spent up to now is 134.6 secs Computing kpt #: 241 total cpu time spent up to now is 135.2 secs Computing kpt #: 242 total cpu time spent up to now is 135.8 secs Computing kpt #: 243 total cpu time spent up to now is 136.4 secs Computing kpt #: 244 total cpu time spent up to now is 137.0 secs Computing kpt #: 245 total cpu time spent up to now is 137.5 secs Computing kpt #: 246 total cpu time spent up to now is 138.1 secs Computing kpt #: 247 total cpu time spent up to now is 138.7 secs Computing kpt #: 248 total cpu time spent up to now is 139.4 secs Computing kpt #: 249 total cpu time spent up to now is 140.4 secs Computing kpt #: 250 total cpu time spent up to now is 141.2 secs Computing kpt #: 251 total cpu time spent up to now is 141.9 secs Computing kpt #: 252 total cpu time spent up to now is 142.5 secs Computing kpt #: 253 total cpu time spent up to now is 143.2 secs Computing kpt #: 254 total cpu time spent up to now is 143.9 secs Computing kpt #: 255 total cpu time spent up to now is 144.6 secs Computing kpt #: 256 total cpu time spent up to now is 145.0 secs Computing kpt #: 257 total cpu time spent up to now is 145.8 secs Computing kpt #: 258 total cpu time spent up to now is 146.4 secs Computing kpt #: 259 total cpu time spent up to now is 147.0 secs Computing kpt #: 260 total cpu time spent up to now is 147.7 secs Computing kpt #: 261 total cpu time spent up to now is 148.3 secs Computing kpt #: 262 total cpu time spent up to now is 148.9 secs Computing kpt #: 263 total cpu time spent up to now is 149.5 secs Computing kpt #: 264 total cpu time spent up to now is 150.1 secs Computing kpt #: 265 total cpu time spent up to now is 150.7 secs Computing kpt #: 266 total cpu time spent up to now is 151.3 secs Computing kpt #: 267 total cpu time spent up to now is 151.9 secs Computing kpt #: 268 total cpu time spent up to now is 152.5 secs Computing kpt #: 269 total cpu time spent up to now is 153.1 secs Computing kpt #: 270 total cpu time spent up to now is 153.6 secs Computing kpt #: 271 total cpu time spent up to now is 154.2 secs Computing kpt #: 272 total cpu time spent up to now is 154.7 secs Computing kpt #: 273 total cpu time spent up to now is 155.2 secs Computing kpt #: 274 total cpu time spent up to now is 155.8 secs Computing kpt #: 275 total cpu time spent up to now is 156.4 secs Computing kpt #: 276 total cpu time spent up to now is 157.0 secs Computing kpt #: 277 total cpu time spent up to now is 157.6 secs Computing kpt #: 278 total cpu time spent up to now is 158.2 secs Computing kpt #: 279 total cpu time spent up to now is 158.8 secs Computing kpt #: 280 total cpu time spent up to now is 159.3 secs Computing kpt #: 281 total cpu time spent up to now is 159.8 secs Computing kpt #: 282 total cpu time spent up to now is 160.3 secs Computing kpt #: 283 total cpu time spent up to now is 160.8 secs Computing kpt #: 284 total cpu time spent up to now is 161.4 secs Computing kpt #: 285 total cpu time spent up to now is 161.8 secs Computing kpt #: 286 total cpu time spent up to now is 162.3 secs Computing kpt #: 287 total cpu time spent up to now is 162.8 secs Computing kpt #: 288 total cpu time spent up to now is 163.3 secs Computing kpt #: 289 total cpu time spent up to now is 163.7 secs Computing kpt #: 290 total cpu time spent up to now is 164.2 secs Computing kpt #: 291 total cpu time spent up to now is 164.7 secs Computing kpt #: 292 total cpu time spent up to now is 165.2 secs Computing kpt #: 293 total cpu time spent up to now is 165.6 secs Computing kpt #: 294 total cpu time spent up to now is 166.1 secs Computing kpt #: 295 total cpu time spent up to now is 166.6 secs Computing kpt #: 296 total cpu time spent up to now is 167.1 secs Computing kpt #: 297 total cpu time spent up to now is 167.6 secs Computing kpt #: 298 total cpu time spent up to now is 168.0 secs Computing kpt #: 299 total cpu time spent up to now is 168.5 secs Computing kpt #: 300 total cpu time spent up to now is 169.0 secs Computing kpt #: 301 total cpu time spent up to now is 169.5 secs Computing kpt #: 302 total cpu time spent up to now is 170.0 secs Computing kpt #: 303 total cpu time spent up to now is 170.4 secs Computing kpt #: 304 total cpu time spent up to now is 170.9 secs Computing kpt #: 305 total cpu time spent up to now is 171.5 secs Computing kpt #: 306 total cpu time spent up to now is 172.0 secs Computing kpt #: 307 total cpu time spent up to now is 172.6 secs Computing kpt #: 308 total cpu time spent up to now is 173.2 secs Computing kpt #: 309 total cpu time spent up to now is 173.8 secs Computing kpt #: 310 total cpu time spent up to now is 174.3 secs Computing kpt #: 311 total cpu time spent up to now is 174.8 secs Computing kpt #: 312 total cpu time spent up to now is 175.3 secs Computing kpt #: 313 total cpu time spent up to now is 175.8 secs Computing kpt #: 314 total cpu time spent up to now is 176.4 secs Computing kpt #: 315 total cpu time spent up to now is 177.0 secs Computing kpt #: 316 total cpu time spent up to now is 177.5 secs Computing kpt #: 317 total cpu time spent up to now is 178.1 secs Computing kpt #: 318 total cpu time spent up to now is 178.7 secs Computing kpt #: 319 total cpu time spent up to now is 179.2 secs Computing kpt #: 320 total cpu time spent up to now is 179.8 secs Computing kpt #: 321 total cpu time spent up to now is 180.4 secs Computing kpt #: 322 total cpu time spent up to now is 181.0 secs Computing kpt #: 323 total cpu time spent up to now is 181.7 secs Computing kpt #: 324 total cpu time spent up to now is 182.4 secs Computing kpt #: 325 total cpu time spent up to now is 183.1 secs Computing kpt #: 326 total cpu time spent up to now is 183.9 secs Computing kpt #: 327 total cpu time spent up to now is 184.7 secs Computing kpt #: 328 total cpu time spent up to now is 185.6 secs Computing kpt #: 329 total cpu time spent up to now is 186.3 secs Computing kpt #: 330 total cpu time spent up to now is 187.0 secs Computing kpt #: 331 total cpu time spent up to now is 187.6 secs Computing kpt #: 332 total cpu time spent up to now is 188.2 secs Computing kpt #: 333 total cpu time spent up to now is 188.8 secs Computing kpt #: 334 total cpu time spent up to now is 189.4 secs Computing kpt #: 335 total cpu time spent up to now is 190.1 secs Computing kpt #: 336 total cpu time spent up to now is 190.7 secs Computing kpt #: 337 total cpu time spent up to now is 191.4 secs Computing kpt #: 338 total cpu time spent up to now is 192.0 secs Computing kpt #: 339 total cpu time spent up to now is 192.6 secs Computing kpt #: 340 total cpu time spent up to now is 193.3 secs Computing kpt #: 341 total cpu time spent up to now is 194.0 secs Computing kpt #: 342 total cpu time spent up to now is 194.7 secs Computing kpt #: 343 total cpu time spent up to now is 195.4 secs Computing kpt #: 344 total cpu time spent up to now is 196.0 secs Computing kpt #: 345 total cpu time spent up to now is 196.7 secs Computing kpt #: 346 total cpu time spent up to now is 197.2 secs ethr = 2.94E-08, avg # of iterations = 24.0 total cpu time spent up to now is 197.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1365 -27.1365 -27.1365 -27.1365 -25.4470 -25.4470 -24.6100 -24.6100 -24.6100 -24.6100 2.3169 2.3169 9.4476 9.4476 9.6314 9.6314 9.6314 9.6314 10.8356 10.8356 10.8356 10.8356 12.9370 12.9370 13.0211 13.0211 13.0211 13.0211 14.7899 14.7899 14.7899 14.7899 16.1583 16.1583 17.0042 17.0042 k = 0.0096-0.0056 0.0079 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1366 -27.1366 -27.1365 -27.1365 -25.4469 -25.4469 -24.6100 -24.6100 -24.6100 -24.6100 2.3181 2.3181 9.4468 9.4468 9.6281 9.6281 9.6332 9.6332 10.8333 10.8333 10.8399 10.8399 12.9356 12.9356 13.0192 13.0192 13.0203 13.0203 14.7887 14.7887 14.7908 14.7908 16.1564 16.1564 17.0062 17.0062 k = 0.0192-0.0111 0.0157 ( 4585 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1366 -27.1366 -27.1366 -27.1366 -25.4469 -25.4469 -24.6100 -24.6100 -24.6100 -24.6100 2.3219 2.3219 9.4441 9.4441 9.6217 9.6217 9.6353 9.6353 10.8329 10.8329 10.8462 10.8462 12.9313 12.9313 13.0138 13.0138 13.0171 13.0171 14.7861 14.7861 14.7925 14.7925 16.1508 16.1508 17.0118 17.0118 k = 0.0288-0.0167 0.0236 ( 4585 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1367 -27.1367 -27.1366 -27.1366 -25.4468 -25.4468 -24.6101 -24.6101 -24.6100 -24.6100 2.3282 2.3282 9.4388 9.4388 9.6124 9.6124 9.6385 9.6385 10.8343 10.8343 10.8544 10.8544 12.9241 12.9241 13.0052 13.0052 13.0119 13.0119 14.7819 14.7819 14.7951 14.7951 16.1419 16.1419 17.0199 17.0199 k = 0.0385-0.0222 0.0314 ( 4593 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1369 -27.1369 -27.1367 -27.1367 -25.4467 -25.4467 -24.6101 -24.6101 -24.6100 -24.6100 2.3370 2.3370 9.4297 9.4297 9.6017 9.6017 9.6429 9.6429 10.8375 10.8375 10.8643 10.8643 12.9140 12.9140 12.9936 12.9936 13.0046 13.0046 14.7760 14.7760 14.7986 14.7986 16.1302 16.1302 17.0291 17.0291 k = 0.0481-0.0278 0.0393 ( 4589 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1371 -27.1371 -27.1367 -27.1367 -25.4466 -25.4466 -24.6101 -24.6101 -24.6100 -24.6100 2.3483 2.3483 9.4151 9.4151 9.5918 9.5918 9.6484 9.6484 10.8423 10.8423 10.8756 10.8756 12.9009 12.9009 12.9794 12.9794 12.9954 12.9954 14.7683 14.7683 14.8028 14.8028 16.1161 16.1161 17.0376 17.0376 k = 0.0577-0.0333 0.0471 ( 4581 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2943 -27.1373 -27.1373 -27.1367 -27.1367 -25.4464 -25.4464 -24.6102 -24.6102 -24.6099 -24.6099 2.3620 2.3620 9.3936 9.3936 9.5845 9.5845 9.6552 9.6552 10.8485 10.8485 10.8879 10.8879 12.8849 12.8849 12.9631 12.9631 12.9842 12.9842 14.7591 14.7591 14.8073 14.8073 16.1002 16.1002 17.0438 17.0438 k = 0.0673-0.0389 0.0550 ( 4581 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2943 -27.1376 -27.1376 -27.1368 -27.1368 -25.4462 -25.4462 -24.6102 -24.6102 -24.6099 -24.6099 2.3782 2.3782 9.3647 9.3647 9.5810 9.5810 9.6632 9.6632 10.8562 10.8562 10.9010 10.9010 12.8659 12.8659 12.9451 12.9451 12.9713 12.9713 14.7481 14.7481 14.8121 14.8121 16.0830 16.0830 17.0466 17.0466 k = 0.0769-0.0444 0.0628 ( 4577 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2944 -30.2944 -27.1378 -27.1378 -27.1369 -27.1369 -25.4460 -25.4460 -24.6103 -24.6103 -24.6099 -24.6099 2.3967 2.3967 9.3290 9.3290 9.5814 9.5814 9.6725 9.6725 10.8650 10.8650 10.9144 10.9144 12.8442 12.8442 12.9257 12.9257 12.9566 12.9566 14.7355 14.7355 14.8168 14.8168 16.0648 16.0648 17.0450 17.0450 k = 0.0865-0.0500 0.0707 ( 4577 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2945 -30.2945 -27.1382 -27.1382 -27.1369 -27.1369 -25.4457 -25.4457 -24.6104 -24.6104 -24.6098 -24.6098 2.4176 2.4176 9.2874 9.2874 9.5852 9.5852 9.6829 9.6829 10.8749 10.8749 10.9280 10.9280 12.8200 12.8200 12.9052 12.9052 12.9402 12.9402 14.7213 14.7213 14.8213 14.8213 16.0459 16.0459 17.0383 17.0383 k = 0.0962-0.0555 0.0785 ( 4577 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2945 -30.2945 -27.1385 -27.1385 -27.1370 -27.1370 -25.4455 -25.4455 -24.6105 -24.6105 -24.6098 -24.6098 2.4407 2.4407 9.2411 9.2411 9.5919 9.5919 9.6945 9.6945 10.8858 10.8858 10.9414 10.9414 12.7937 12.7937 12.8838 12.8838 12.9224 12.9224 14.7055 14.7055 14.8254 14.8254 16.0263 16.0263 17.0263 17.0263 k = 0.1058-0.0611 0.0864 ( 4577 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2946 -30.2946 -27.1389 -27.1389 -27.1371 -27.1371 -25.4452 -25.4452 -24.6106 -24.6106 -24.6098 -24.6098 2.4661 2.4661 9.1911 9.1911 9.6009 9.6009 9.7074 9.7074 10.8973 10.8973 10.9546 10.9546 12.7657 12.7657 12.8616 12.8616 12.9032 12.9032 14.6881 14.6881 14.8289 14.8289 16.0063 16.0063 17.0084 17.0084 k = 0.1154-0.0666 0.0942 ( 4573 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2947 -30.2947 -27.1394 -27.1394 -27.1372 -27.1372 -25.4448 -25.4448 -24.6107 -24.6107 -24.6097 -24.6097 2.4937 2.4937 9.1383 9.1383 9.6119 9.6119 9.7214 9.7214 10.9090 10.9090 10.9676 10.9676 12.7365 12.7365 12.8387 12.8387 12.8828 12.8828 14.6691 14.6691 14.8318 14.8318 15.9856 15.9856 16.9847 16.9847 k = 0.1250-0.0722 0.1021 ( 4569 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2948 -30.2948 -27.1398 -27.1398 -27.1373 -27.1373 -25.4445 -25.4445 -24.6108 -24.6108 -24.6097 -24.6097 2.5234 2.5234 9.0834 9.0834 9.6246 9.6246 9.7365 9.7365 10.9204 10.9204 10.9808 10.9808 12.7064 12.7064 12.8150 12.8150 12.8612 12.8612 14.6487 14.6487 14.8338 14.8338 15.9643 15.9643 16.9549 16.9549 k = 0.1346-0.0777 0.1099 ( 4561 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2949 -30.2949 -27.1403 -27.1403 -27.1374 -27.1374 -25.4441 -25.4441 -24.6109 -24.6109 -24.6096 -24.6096 2.5551 2.5551 9.0270 9.0270 9.6389 9.6389 9.7529 9.7529 10.9308 10.9308 10.9947 10.9947 12.6757 12.6757 12.7906 12.7906 12.8386 12.8386 14.6267 14.6267 14.8349 14.8349 15.9422 15.9422 16.9190 16.9190 k = 0.1442-0.0833 0.1178 ( 4553 PWs) bands (ev): -57.6634 -57.6634 -51.0637 -51.0637 -30.2950 -30.2950 -27.1408 -27.1408 -27.1375 -27.1375 -25.4437 -25.4437 -24.6110 -24.6110 -24.6096 -24.6096 2.5887 2.5887 8.9697 8.9697 9.6546 9.6546 9.7703 9.7703 10.9394 10.9394 11.0098 11.0098 12.6448 12.6448 12.7657 12.7657 12.8151 12.8151 14.6032 14.6032 14.8351 14.8351 15.9191 15.9191 16.8770 16.8770 k = 0.1538-0.0888 0.1256 ( 4557 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2951 -30.2951 -27.1413 -27.1413 -27.1377 -27.1377 -25.4433 -25.4433 -24.6112 -24.6112 -24.6095 -24.6095 2.6242 2.6242 8.9120 8.9120 9.6716 9.6716 9.7889 9.7889 10.9456 10.9456 11.0266 11.0266 12.6138 12.6138 12.7404 12.7404 12.7909 12.7909 14.5783 14.5783 14.8344 14.8344 15.8948 15.8948 16.8292 16.8292 k = 0.1635-0.0944 0.1335 ( 4564 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2953 -30.2953 -27.1419 -27.1419 -27.1378 -27.1378 -25.4429 -25.4429 -24.6113 -24.6113 -24.6095 -24.6095 2.6615 2.6615 8.8542 8.8542 9.6898 9.6898 9.8085 9.8085 10.9490 10.9490 11.0454 11.0454 12.5829 12.5829 12.7146 12.7146 12.7660 12.7660 14.5520 14.5520 14.8326 14.8326 15.8691 15.8691 16.7757 16.7757 k = 0.1731-0.0999 0.1413 ( 4572 PWs) bands (ev): -57.6633 -57.6633 -51.0638 -51.0638 -30.2955 -30.2955 -27.1425 -27.1425 -27.1380 -27.1380 -25.4425 -25.4425 -24.6114 -24.6114 -24.6094 -24.6094 2.7003 2.7003 8.7967 8.7967 9.7091 9.7091 9.8293 9.8293 10.9496 10.9496 11.0660 11.0660 12.5523 12.5523 12.6885 12.6885 12.7407 12.7407 14.5244 14.5244 14.8300 14.8300 15.8416 15.8416 16.7170 16.7170 k = 0.1827-0.1055 0.1492 ( 4580 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2956 -30.2956 -27.1431 -27.1431 -27.1382 -27.1382 -25.4420 -25.4420 -24.6116 -24.6116 -24.6093 -24.6093 2.7407 2.7407 8.7400 8.7400 9.7295 9.7295 9.8510 9.8510 10.9475 10.9475 11.0884 11.0884 12.5219 12.5219 12.6622 12.6622 12.7150 12.7150 14.4954 14.4954 14.8263 14.8263 15.8120 15.8120 16.6533 16.6533 k = 0.1923-0.1110 0.1570 ( 4584 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2958 -30.2958 -27.1437 -27.1437 -27.1384 -27.1384 -25.4415 -25.4415 -24.6117 -24.6117 -24.6093 -24.6093 2.7825 2.7825 8.6843 8.6843 9.7510 9.7510 9.8738 9.8738 10.9428 10.9428 11.1123 11.1123 12.4918 12.4918 12.6358 12.6358 12.6890 12.6890 14.4652 14.4652 14.8217 14.8217 15.7801 15.7801 16.5852 16.5852 k = 0.2019-0.1166 0.1649 ( 4576 PWs) bands (ev): -57.6632 -57.6632 -51.0639 -51.0639 -30.2959 -30.2959 -27.1443 -27.1443 -27.1385 -27.1385 -25.4411 -25.4411 -24.6119 -24.6119 -24.6092 -24.6092 2.8256 2.8256 8.6300 8.6300 9.7734 9.7734 9.8976 9.8976 10.9359 10.9359 11.1377 11.1377 12.4619 12.4619 12.6093 12.6093 12.6628 12.6628 14.4337 14.4337 14.8162 14.8162 15.7456 15.7456 16.5131 16.5131 k = 0.2115-0.1221 0.1727 ( 4576 PWs) bands (ev): -57.6632 -57.6632 -51.0640 -51.0640 -30.2961 -30.2961 -27.1450 -27.1450 -27.1387 -27.1387 -25.4406 -25.4406 -24.6120 -24.6120 -24.6091 -24.6091 2.8697 2.8697 8.5773 8.5773 9.7966 9.7966 9.9223 9.9223 10.9268 10.9268 11.1644 11.1644 12.4319 12.4319 12.5829 12.5829 12.6366 12.6366 14.4011 14.4011 14.8098 14.8098 15.7082 15.7082 16.4377 16.4377 k = 0.2212-0.1277 0.1806 ( 4576 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2962 -30.2962 -27.1456 -27.1456 -27.1388 -27.1388 -25.4401 -25.4401 -24.6122 -24.6122 -24.6091 -24.6091 2.9149 2.9149 8.5266 8.5266 9.8208 9.8208 9.9479 9.9479 10.9157 10.9157 11.1924 11.1924 12.4018 12.4018 12.5567 12.5567 12.6104 12.6104 14.3674 14.3674 14.8024 14.8024 15.6679 15.6679 16.3593 16.3593 k = 0.2308-0.1332 0.1884 ( 4576 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2964 -30.2964 -27.1463 -27.1463 -27.1390 -27.1390 -25.4396 -25.4396 -24.6124 -24.6124 -24.6090 -24.6090 2.9608 2.9608 8.4780 8.4780 9.8456 9.8456 9.9743 9.9743 10.9029 10.9029 11.2214 11.2214 12.3713 12.3713 12.5306 12.5306 12.5844 12.5844 14.3326 14.3326 14.7942 14.7942 15.6245 15.6245 16.2785 16.2785 k = 0.2404-0.1388 0.1963 ( 4576 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2965 -30.2965 -27.1469 -27.1469 -27.1392 -27.1392 -25.4391 -25.4391 -24.6125 -24.6125 -24.6089 -24.6089 3.0074 3.0074 8.4318 8.4318 9.8712 9.8712 10.0016 10.0016 10.8886 10.8886 11.2514 11.2514 12.3401 12.3401 12.5048 12.5048 12.5586 12.5586 14.2968 14.2968 14.7850 14.7850 15.5780 15.5780 16.1959 16.1959 k = 0.2500-0.1443 0.2041 ( 4552 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2966 -30.2966 -27.1475 -27.1475 -27.1393 -27.1393 -25.4386 -25.4386 -24.6127 -24.6127 -24.6089 -24.6089 3.0545 3.0545 8.3882 8.3882 9.8974 9.8974 10.0296 10.0296 10.8729 10.8729 11.2824 11.2824 12.3080 12.3080 12.4793 12.4793 12.5331 12.5331 14.2601 14.2601 14.7751 14.7751 15.5286 15.5286 16.1119 16.1119 k = 0.2596-0.1499 0.2120 ( 4560 PWs) bands (ev): -57.6629 -57.6629 -51.0641 -51.0641 -30.2968 -30.2968 -27.1482 -27.1482 -27.1395 -27.1395 -25.4381 -25.4381 -24.6129 -24.6129 -24.6088 -24.6088 3.1019 3.1019 8.3473 8.3473 9.9242 9.9242 10.0582 10.0582 10.8562 10.8562 11.3143 11.3143 12.2745 12.2745 12.4541 12.4541 12.5081 12.5081 14.2226 14.2226 14.7642 14.7642 15.4766 15.4766 16.0270 16.0270 k = 0.2692-0.1554 0.2198 ( 4560 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2970 -30.2970 -27.1489 -27.1489 -27.1397 -27.1397 -25.4376 -25.4376 -24.6130 -24.6130 -24.6087 -24.6087 3.1493 3.1493 8.3095 8.3095 9.9514 9.9514 10.0875 10.0875 10.8387 10.8387 11.3469 11.3469 12.2395 12.2395 12.4294 12.4294 12.4836 12.4836 14.1842 14.1842 14.7525 14.7525 15.4225 15.4225 15.9416 15.9416 k = 0.2788-0.1610 0.2277 ( 4560 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2971 -30.2971 -27.1495 -27.1495 -27.1398 -27.1398 -25.4371 -25.4371 -24.6132 -24.6132 -24.6087 -24.6087 3.1967 3.1967 8.2748 8.2748 9.9790 9.9790 10.1173 10.1173 10.8207 10.8207 11.3803 11.3803 12.2025 12.2025 12.4051 12.4051 12.4596 12.4596 14.1453 14.1453 14.7399 14.7399 15.3668 15.3668 15.8563 15.8563 k = 0.2885-0.1665 0.2355 ( 4560 PWs) bands (ev): -57.6628 -57.6628 -51.0642 -51.0642 -30.2973 -30.2973 -27.1502 -27.1502 -27.1400 -27.1400 -25.4367 -25.4367 -24.6133 -24.6133 -24.6086 -24.6086 3.2437 3.2437 8.2433 8.2433 10.0069 10.0069 10.1476 10.1476 10.8024 10.8024 11.4143 11.4143 12.1632 12.1632 12.3813 12.3813 12.4364 12.4364 14.1057 14.1057 14.7264 14.7264 15.3103 15.3103 15.7713 15.7713 k = 0.2981-0.1721 0.2434 ( 4568 PWs) bands (ev): -57.6628 -57.6628 -51.0643 -51.0643 -30.2974 -30.2974 -27.1508 -27.1508 -27.1402 -27.1402 -25.4362 -25.4362 -24.6135 -24.6135 -24.6085 -24.6085 3.2903 3.2903 8.2152 8.2152 10.0349 10.0349 10.1781 10.1781 10.7840 10.7840 11.4487 11.4487 12.1214 12.1214 12.3579 12.3579 12.4139 12.4139 14.0656 14.0656 14.7120 14.7120 15.2537 15.2537 15.6872 15.6872 k = 0.3077-0.1776 0.2512 ( 4568 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.2976 -30.2976 -27.1515 -27.1515 -27.1404 -27.1404 -25.4357 -25.4357 -24.6137 -24.6137 -24.6085 -24.6085 3.3362 3.3362 8.1905 8.1905 10.0630 10.0630 10.2089 10.2089 10.7659 10.7659 11.4835 11.4835 12.0769 12.0769 12.3352 12.3352 12.3922 12.3922 14.0252 14.0252 14.6968 14.6968 15.1977 15.1977 15.6042 15.6042 k = 0.3173-0.1832 0.2591 ( 4568 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.2977 -30.2977 -27.1521 -27.1521 -27.1405 -27.1405 -25.4353 -25.4353 -24.6138 -24.6138 -24.6084 -24.6084 3.3811 3.3811 8.1693 8.1693 10.0910 10.0910 10.2398 10.2398 10.7483 10.7483 11.5186 11.5186 12.0295 12.0295 12.3129 12.3129 12.3714 12.3714 13.9845 13.9845 14.6807 14.6807 15.1433 15.1433 15.5228 15.5228 k = 0.3269-0.1887 0.2669 ( 4568 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2979 -30.2979 -27.1527 -27.1527 -27.1407 -27.1407 -25.4348 -25.4348 -24.6140 -24.6140 -24.6083 -24.6083 3.4250 3.4250 8.1516 8.1516 10.1189 10.1189 10.2707 10.2707 10.7315 10.7315 11.5536 11.5536 11.9792 11.9792 12.2913 12.2913 12.3516 12.3516 13.9436 13.9436 14.6639 14.6639 15.0911 15.0911 15.4433 15.4433 k = 0.3365-0.1943 0.2748 ( 4560 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2980 -30.2980 -27.1533 -27.1533 -27.1408 -27.1408 -25.4344 -25.4344 -24.6141 -24.6141 -24.6083 -24.6083 3.4675 3.4675 8.1374 8.1374 10.1464 10.1464 10.3013 10.3013 10.7158 10.7158 11.5884 11.5884 11.9263 11.9263 12.2703 12.2703 12.3328 12.3328 13.9027 13.9027 14.6463 14.6463 15.0416 15.0416 15.3660 15.3660 k = 0.3462-0.1999 0.2826 ( 4552 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2981 -30.2981 -27.1538 -27.1538 -27.1409 -27.1409 -25.4340 -25.4340 -24.6142 -24.6142 -24.6082 -24.6082 3.5086 3.5086 8.1265 8.1265 10.1734 10.1734 10.3316 10.3316 10.7014 10.7014 11.6222 11.6222 11.8712 11.8712 12.2499 12.2499 12.3151 12.3151 13.8621 13.8621 14.6282 14.6282 14.9955 14.9955 15.2913 15.2913 k = 0.3558-0.2054 0.2905 ( 4548 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.2982 -30.2982 -27.1543 -27.1543 -27.1411 -27.1411 -25.4336 -25.4336 -24.6144 -24.6144 -24.6081 -24.6081 3.5480 3.5480 8.1190 8.1190 10.1998 10.1998 10.3613 10.3613 10.6886 10.6886 11.6533 11.6533 11.8159 11.8159 12.2302 12.2302 12.2985 12.2985 13.8217 13.8217 14.6098 14.6098 14.9528 14.9528 15.2194 15.2194 k = 0.3654-0.2110 0.2983 ( 4556 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.2984 -30.2984 -27.1548 -27.1548 -27.1412 -27.1412 -25.4332 -25.4332 -24.6145 -24.6145 -24.6081 -24.6081 3.5855 3.5855 8.1145 8.1145 10.2255 10.2255 10.3901 10.3901 10.6777 10.6777 11.6736 11.6736 11.7684 11.7684 12.2112 12.2112 12.2831 12.2831 13.7819 13.7819 14.5913 14.5913 14.9137 14.9137 15.1507 15.1507 k = 0.3750-0.2165 0.3062 ( 4552 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.2985 -30.2985 -27.1553 -27.1553 -27.1413 -27.1413 -25.4329 -25.4329 -24.6146 -24.6146 -24.6080 -24.6080 3.6211 3.6211 8.1130 8.1130 10.2502 10.2502 10.4180 10.4180 10.6691 10.6691 11.6541 11.6541 11.7581 11.7581 12.1930 12.1930 12.2688 12.2688 13.7427 13.7427 14.5731 14.5731 14.8782 14.8782 15.0855 15.0856 k = 0.3846-0.2221 0.3140 ( 4548 PWs) bands (ev): -57.6624 -57.6624 -51.0645 -51.0645 -30.2986 -30.2986 -27.1558 -27.1558 -27.1414 -27.1414 -25.4326 -25.4326 -24.6147 -24.6147 -24.6080 -24.6080 3.6545 3.6545 8.1142 8.1142 10.2738 10.2738 10.4445 10.4445 10.6630 10.6630 11.5997 11.5997 11.7803 11.7803 12.1757 12.1757 12.2557 12.2557 13.7046 13.7046 14.5555 14.5555 14.8458 14.8458 15.0242 15.0242 k = 0.3942-0.2276 0.3219 ( 4548 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.2987 -30.2987 -27.1562 -27.1562 -27.1415 -27.1415 -25.4323 -25.4323 -24.6149 -24.6149 -24.6079 -24.6079 3.6856 3.6856 8.1177 8.1177 10.2961 10.2961 10.4693 10.4693 10.6596 10.6596 11.5365 11.5365 11.8093 11.8093 12.1592 12.1592 12.2439 12.2439 13.6676 13.6676 14.5388 14.5388 14.8163 14.8163 14.9670 14.9670 k = 0.4038-0.2332 0.3297 ( 4536 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.2987 -30.2987 -27.1566 -27.1566 -27.1416 -27.1416 -25.4320 -25.4320 -24.6150 -24.6150 -24.6079 -24.6079 3.7144 3.7144 8.1232 8.1232 10.3171 10.3171 10.4923 10.4923 10.6593 10.6593 11.4709 11.4709 11.8391 11.8391 12.1437 12.1437 12.2333 12.2333 13.6322 13.6322 14.5234 14.5234 14.7891 14.7891 14.9142 14.9142 k = 0.4135-0.2387 0.3376 ( 4540 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.2988 -30.2988 -27.1569 -27.1569 -27.1417 -27.1417 -25.4317 -25.4317 -24.6150 -24.6150 -24.6079 -24.6079 3.7406 3.7406 8.1303 8.1303 10.3365 10.3365 10.5133 10.5133 10.6621 10.6621 11.4049 11.4049 11.8681 11.8681 12.1292 12.1292 12.2239 12.2239 13.5985 13.5985 14.5093 14.5093 14.7636 14.7636 14.8662 14.8662 k = 0.4231-0.2443 0.3454 ( 4544 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.2989 -30.2989 -27.1573 -27.1573 -27.1418 -27.1418 -25.4315 -25.4315 -24.6151 -24.6151 -24.6078 -24.6078 3.7643 3.7643 8.1384 8.1384 10.3542 10.3542 10.5322 10.5322 10.6680 10.6680 11.3397 11.3397 11.8955 11.8955 12.1159 12.1159 12.2158 12.2158 13.5670 13.5670 14.4969 14.4969 14.7391 14.7391 14.8230 14.8230 k = 0.4327-0.2498 0.3533 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.2990 -30.2990 -27.1575 -27.1575 -27.1419 -27.1419 -25.4313 -25.4313 -24.6152 -24.6152 -24.6078 -24.6078 3.7853 3.7853 8.1473 8.1473 10.3703 10.3703 10.5492 10.5492 10.6764 10.6764 11.2764 11.2764 11.9209 11.9209 12.1037 12.1037 12.2088 12.2088 13.5379 13.5379 14.4861 14.4861 14.7154 14.7154 14.7848 14.7848 k = 0.4423-0.2554 0.3611 ( 4528 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.2990 -30.2990 -27.1578 -27.1578 -27.1419 -27.1419 -25.4311 -25.4311 -24.6153 -24.6153 -24.6078 -24.6078 3.8036 3.8036 8.1563 8.1563 10.3845 10.3845 10.5645 10.5645 10.6870 10.6870 11.2161 11.2161 11.9438 11.9438 12.0929 12.0929 12.2031 12.2031 13.5116 13.5116 14.4770 14.4770 14.6922 14.6922 14.7512 14.7512 k = 0.4519-0.2609 0.3690 ( 4516 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.2990 -30.2990 -27.1580 -27.1580 -27.1419 -27.1419 -25.4309 -25.4309 -24.6153 -24.6153 -24.6077 -24.6077 3.8192 3.8192 8.1649 8.1649 10.3967 10.3967 10.5784 10.5784 10.6990 10.6990 11.1597 11.1597 11.9640 11.9640 12.0834 12.0834 12.1986 12.1986 13.4886 13.4886 14.4695 14.4695 14.6703 14.6703 14.7222 14.7222 k = 0.4615-0.2665 0.3768 ( 4516 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.2991 -30.2991 -27.1582 -27.1582 -27.1420 -27.1420 -25.4308 -25.4308 -24.6154 -24.6154 -24.6077 -24.6077 3.8319 3.8319 8.1727 8.1727 10.4070 10.4070 10.5908 10.5908 10.7117 10.7117 11.1086 11.1086 11.9810 11.9810 12.0753 12.0753 12.1951 12.1951 13.4691 13.4691 14.4635 14.4635 14.6507 14.6507 14.6980 14.6980 k = 0.4712-0.2720 0.3847 ( 4516 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.2991 -30.2991 -27.1583 -27.1583 -27.1420 -27.1420 -25.4307 -25.4307 -24.6154 -24.6154 -24.6077 -24.6077 3.8419 3.8419 8.1793 8.1793 10.4152 10.4152 10.6014 10.6014 10.7244 10.7244 11.0645 11.0645 11.9946 11.9946 12.0688 12.0688 12.1926 12.1926 13.4536 13.4536 14.4589 14.4589 14.6346 14.6346 14.6789 14.6789 k = 0.4808-0.2776 0.3925 ( 4528 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.2992 -30.2992 -27.1584 -27.1584 -27.1421 -27.1421 -25.4306 -25.4306 -24.6154 -24.6154 -24.6077 -24.6077 3.8490 3.8490 8.1843 8.1843 10.4211 10.4211 10.6097 10.6097 10.7358 10.7358 11.0295 11.0295 12.0046 12.0046 12.0639 12.0639 12.1910 12.1910 13.4422 13.4422 14.4557 14.4557 14.6226 14.6226 14.6650 14.6651 k = 0.4904-0.2831 0.4004 ( 4544 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2992 -30.2992 -27.1585 -27.1585 -27.1421 -27.1421 -25.4306 -25.4306 -24.6154 -24.6154 -24.6077 -24.6077 3.8533 3.8533 8.1874 8.1874 10.4247 10.4247 10.6150 10.6150 10.7442 10.7442 11.0065 11.0065 12.0108 12.0108 12.0607 12.0607 12.1901 12.1901 13.4353 13.4353 14.4539 14.4539 14.6152 14.6152 14.6567 14.6567 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2993 -30.2993 -27.1586 -27.1586 -27.1422 -27.1422 -25.4306 -25.4306 -24.6155 -24.6155 -24.6077 -24.6077 3.8547 3.8547 8.1885 8.1885 10.4259 10.4259 10.6168 10.6168 10.7474 10.7474 10.9984 10.9984 12.0129 12.0129 12.0596 12.0596 12.1898 12.1898 13.4330 13.4330 14.4532 14.4532 14.6127 14.6127 14.6539 14.6539 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2993 -30.2993 -27.1586 -27.1586 -27.1422 -27.1422 -25.4306 -25.4306 -24.6155 -24.6155 -24.6077 -24.6077 3.8547 3.8547 8.1885 8.1885 10.4259 10.4259 10.6168 10.6168 10.7474 10.7474 10.9984 10.9984 12.0129 12.0129 12.0596 12.0596 12.1898 12.1898 13.4330 13.4330 14.4532 14.4532 14.6127 14.6127 14.6539 14.6539 k = 0.5000-0.2776 0.4161 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2994 -30.2990 -27.1587 -27.1583 -27.1427 -27.1416 -25.4312 -25.4299 -24.6159 -24.6149 -24.6080 -24.6074 3.8540 3.8558 8.1894 8.1899 10.4103 10.4342 10.6124 10.6161 10.7443 10.7457 10.9905 11.0155 11.9902 12.0156 12.0623 12.0705 12.1824 12.2031 13.4363 13.4364 14.4511 14.4548 14.6056 14.6189 14.6507 14.6562 k = 0.5000-0.2665 0.4240 ( 4534 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2997 -30.2987 -27.1589 -27.1582 -27.1432 -27.1410 -25.4319 -25.4292 -24.6164 -24.6144 -24.6083 -24.6071 3.8537 3.8573 8.1926 8.1937 10.3870 10.4351 10.6043 10.6085 10.7368 10.7406 10.9931 11.0390 11.9624 12.0012 12.0634 12.0885 12.1840 12.2223 13.4462 13.4464 14.4484 14.4556 14.5973 14.6247 14.6446 14.6591 k = 0.5000-0.2554 0.4318 ( 4532 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2999 -30.2985 -27.1591 -27.1581 -27.1437 -27.1403 -25.4326 -25.4285 -24.6169 -24.6139 -24.6086 -24.6068 3.8537 3.8591 8.1982 8.1999 10.3562 10.4284 10.5934 10.5941 10.7276 10.7338 11.0046 11.0660 11.9347 11.9818 12.0581 12.0949 12.2019 12.2474 13.4621 13.4626 14.4453 14.4556 14.5876 14.6308 14.6347 14.6633 k = 0.5000-0.2443 0.4397 ( 4532 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3001 -30.2982 -27.1594 -27.1580 -27.1441 -27.1397 -25.4333 -25.4278 -24.6174 -24.6134 -24.6090 -24.6065 3.8541 3.8613 8.2060 8.2084 10.3183 10.4131 10.5724 10.5827 10.7191 10.7263 11.0224 11.0944 11.9081 11.9609 12.0465 12.0870 12.2354 12.2777 13.4833 13.4842 14.4417 14.4549 14.5767 14.6213 14.6375 14.6689 k = 0.5000-0.2332 0.4475 ( 4528 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3004 -30.2980 -27.1597 -27.1580 -27.1445 -27.1390 -25.4339 -25.4272 -24.6179 -24.6129 -24.6093 -24.6062 3.8548 3.8638 8.2162 8.2192 10.2742 10.3879 10.5488 10.5706 10.7121 10.7186 11.0439 11.1228 11.8829 11.9398 12.0303 12.0709 12.2778 12.3120 13.5090 13.5104 14.4378 14.4533 14.5648 14.6056 14.6451 14.6759 k = 0.5000-0.2221 0.4554 ( 4528 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3006 -30.2978 -27.1600 -27.1581 -27.1448 -27.1384 -25.4346 -25.4265 -24.6183 -24.6124 -24.6096 -24.6059 3.8559 3.8666 8.2286 8.2324 10.2249 10.3523 10.5259 10.5580 10.7064 10.7107 11.0672 11.1503 11.8589 11.9189 12.0108 12.0505 12.3250 12.3494 13.5383 13.5402 14.4336 14.4509 14.5519 14.5883 14.6533 14.6840 k = 0.5000-0.2110 0.4632 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3008 -30.2976 -27.1603 -27.1582 -27.1451 -27.1378 -25.4352 -25.4259 -24.6188 -24.6119 -24.6099 -24.6057 3.8573 3.8697 8.2432 8.2478 10.1713 10.3075 10.5047 10.5447 10.7014 10.7027 11.0912 11.1767 11.8360 11.8984 11.9894 12.0278 12.3754 12.3892 13.5702 13.5729 14.4290 14.4477 14.5383 14.5699 14.6623 14.6931 k = 0.5000-0.1999 0.4711 ( 4546 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3011 -30.2974 -27.1606 -27.1583 -27.1453 -27.1372 -25.4358 -25.4253 -24.6192 -24.6114 -24.6102 -24.6054 3.8589 3.8730 8.2600 8.2656 10.1143 10.2555 10.4850 10.5307 10.6947 10.6968 11.1150 11.2017 11.8139 11.8785 11.9672 12.0040 12.4278 12.4306 13.6041 13.6075 14.4241 14.4436 14.5242 14.5506 14.6716 14.7029 k = 0.5000-0.1887 0.4789 ( 4542 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3013 -30.2972 -27.1608 -27.1585 -27.1455 -27.1365 -25.4364 -25.4246 -24.6196 -24.6109 -24.6105 -24.6052 3.8608 3.8765 8.2790 8.2856 10.0547 10.1984 10.4659 10.5160 10.6866 10.6923 11.1382 11.2254 11.7924 11.8590 11.9452 11.9799 12.4731 12.4816 13.6391 13.6434 14.4188 14.4387 14.5097 14.5307 14.6810 14.7132 k = 0.5000-0.1776 0.4868 ( 4546 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3015 -30.2970 -27.1611 -27.1587 -27.1456 -27.1360 -25.4369 -25.4241 -24.6200 -24.6108 -24.6105 -24.6050 3.8629 3.8802 8.3000 8.3079 9.9932 10.1379 10.4470 10.5004 10.6786 10.6878 11.1607 11.2479 11.7715 11.8400 11.9239 11.9561 12.5164 12.5361 13.6746 13.6798 14.4131 14.4329 14.4948 14.5105 14.6901 14.7238 k = 0.5000-0.1665 0.4946 ( 4546 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3017 -30.2968 -27.1614 -27.1589 -27.1457 -27.1354 -25.4375 -25.4235 -24.6204 -24.6110 -24.6100 -24.6048 3.8652 3.8840 8.3230 8.3325 9.9301 10.0752 10.4278 10.4841 10.6708 10.6834 11.1821 11.2691 11.7511 11.8214 11.9039 11.9332 12.5599 12.5909 13.7102 13.7164 14.4070 14.4262 14.4798 14.4902 14.6987 14.7344 k = 0.5000-0.1554 0.5025 ( 4542 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3018 -30.2966 -27.1617 -27.1592 -27.1457 -27.1348 -25.4380 -25.4230 -24.6208 -24.6113 -24.6095 -24.6046 3.8676 3.8879 8.3480 8.3592 9.8660 10.0112 10.4084 10.4671 10.6632 10.6791 11.2026 11.2893 11.7311 11.8032 11.8854 11.9115 12.6031 12.6454 13.7454 13.7527 14.4004 14.4184 14.4647 14.4699 14.7065 14.7449 k = 0.5000-0.1443 0.5103 ( 4546 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3020 -30.2964 -27.1619 -27.1594 -27.1458 -27.1343 -25.4385 -25.4224 -24.6211 -24.6115 -24.6091 -24.6045 3.8701 3.8917 8.3748 8.3880 9.8012 9.9466 10.3888 10.4496 10.6560 10.6748 11.2221 11.3086 11.7117 11.7854 11.8685 11.8913 12.6458 12.6991 13.7799 13.7884 14.3932 14.4094 14.4497 14.4501 14.7134 14.7551 k = 0.5000-0.1332 0.5182 ( 4548 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3022 -30.2963 -27.1622 -27.1597 -27.1457 -27.1338 -25.4389 -25.4220 -24.6214 -24.6118 -24.6087 -24.6043 3.8727 3.8956 8.4033 8.4189 9.7361 9.8820 10.3692 10.4318 10.6491 10.6706 11.2406 11.3271 11.6928 11.7679 11.8533 11.8727 12.6874 12.7516 13.8135 13.8232 14.3856 14.3986 14.4314 14.4348 14.7193 14.7648 k = 0.5000-0.1221 0.5260 ( 4550 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3024 -30.2961 -27.1624 -27.1600 -27.1457 -27.1333 -25.4393 -25.4215 -24.6217 -24.6120 -24.6083 -24.6042 3.8752 3.8994 8.4333 8.4519 9.6711 9.8178 10.3498 10.4140 10.6426 10.6665 11.2581 11.3449 11.6747 11.7507 11.8396 11.8557 12.7275 12.8024 13.8460 13.8569 14.3774 14.3856 14.4144 14.4203 14.7244 14.7740 k = 0.5000-0.1110 0.5339 ( 4550 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3025 -30.2960 -27.1626 -27.1603 -27.1457 -27.1329 -25.4397 -25.4211 -24.6220 -24.6122 -24.6079 -24.6041 3.8777 3.9030 8.4647 8.4868 9.6062 9.7546 10.3308 10.3965 10.6366 10.6627 11.2748 11.3622 11.6573 11.7338 11.8274 11.8405 12.7659 12.8511 13.8771 13.8895 14.3686 14.3702 14.3994 14.4062 14.7287 14.7825 k = 0.5000-0.0999 0.5417 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3026 -30.2958 -27.1628 -27.1605 -27.1456 -27.1324 -25.4401 -25.4207 -24.6223 -24.6124 -24.6075 -24.6040 3.8802 3.9065 8.4971 8.5236 9.5419 9.6928 10.3125 10.3795 10.6312 10.6590 11.2905 11.3788 11.6409 11.7171 11.8166 11.8270 12.8020 12.8971 13.9068 13.9208 14.3533 14.3594 14.3860 14.3928 14.7323 14.7903 k = 0.5000-0.0888 0.5496 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3027 -30.2957 -27.1630 -27.1607 -27.1455 -27.1321 -25.4404 -25.4204 -24.6225 -24.6125 -24.6072 -24.6039 3.8825 3.9098 8.5303 8.5620 9.4785 9.6330 10.2953 10.3633 10.6262 10.6557 11.3054 11.3950 11.6254 11.7008 11.8071 11.8152 12.8355 12.9402 13.9350 13.9506 14.3357 14.3498 14.3734 14.3801 14.7354 14.7972 k = 0.5000-0.0777 0.5574 ( 4546 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3029 -30.2956 -27.1631 -27.1610 -27.1455 -27.1318 -25.4407 -25.4201 -24.6227 -24.6127 -24.6069 -24.6039 3.8846 3.9128 8.5637 8.6020 9.4162 9.5757 10.2794 10.3483 10.6218 10.6526 11.3192 11.4107 11.6110 11.6849 11.7988 11.8050 12.8661 12.9796 13.9613 13.9789 14.3185 14.3398 14.3610 14.3684 14.7379 14.8034 k = 0.5000-0.0666 0.5653 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3029 -30.2955 -27.1632 -27.1612 -27.1454 -27.1315 -25.4410 -25.4198 -24.6229 -24.6128 -24.6066 -24.6039 3.8865 3.9155 8.5967 8.6433 9.3554 9.5218 10.2650 10.3347 10.6180 10.6499 11.3321 11.4258 11.5978 11.6695 11.7918 11.7964 12.8933 13.0151 13.9857 14.0054 14.3021 14.3297 14.3489 14.3577 14.7401 14.8087 k = 0.5000-0.0555 0.5731 ( 4544 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3030 -30.2954 -27.1634 -27.1614 -27.1454 -27.1312 -25.4412 -25.4195 -24.6230 -24.6129 -24.6063 -24.6039 3.8882 3.9178 8.6286 8.6853 9.2967 9.4721 10.2525 10.3228 10.6148 10.6476 11.3437 11.4401 11.5859 11.6548 11.7859 11.7892 12.9170 13.0462 14.0078 14.0299 14.2869 14.3197 14.3372 14.3484 14.7417 14.8132 k = 0.5000-0.0444 0.5810 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3031 -30.2954 -27.1635 -27.1615 -27.1453 -27.1310 -25.4413 -25.4194 -24.6232 -24.6130 -24.6061 -24.6039 3.8896 3.9197 8.6582 8.7275 9.2408 9.4278 10.2419 10.3127 10.6121 10.6456 11.3539 11.4534 11.5754 11.6412 11.7811 11.7835 12.9369 13.0723 14.0272 14.0519 14.2734 14.3103 14.3262 14.3405 14.7431 14.8168 k = 0.5000-0.0333 0.5888 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1635 -27.1616 -27.1453 -27.1309 -25.4415 -25.4192 -24.6233 -24.6131 -24.6059 -24.6039 3.8908 3.9213 8.6841 8.7684 9.1892 9.3904 10.2335 10.3047 10.6100 10.6441 11.3624 11.4653 11.5668 11.6290 11.7773 11.7791 12.9526 13.0932 14.0434 14.0708 14.2617 14.3018 14.3164 14.3342 14.7442 14.8196 k = 0.5000-0.0222 0.5967 ( 4530 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1636 -27.1617 -27.1452 -27.1307 -25.4416 -25.4191 -24.6233 -24.6131 -24.6058 -24.6039 3.8916 3.9224 8.7046 8.8054 9.1444 9.3617 10.2274 10.2988 10.6085 10.6430 11.3689 11.4749 11.5603 11.6191 11.7747 11.7760 12.9639 13.1083 14.0557 14.0858 14.2526 14.2949 14.3087 14.3296 14.7449 14.8216 k = 0.5000-0.0111 0.6045 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1636 -27.1617 -27.1453 -27.1307 -25.4416 -25.4190 -24.6234 -24.6132 -24.6057 -24.6039 3.8921 3.9231 8.7178 8.8333 9.1118 9.3434 10.2237 10.2953 10.6076 10.6423 11.3729 11.4814 11.5561 11.6125 11.7731 11.7741 12.9708 13.1176 14.0635 14.0957 14.2465 14.2905 14.3037 14.3268 14.7454 14.8229 k = 0.5000 0.0000 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1618 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6056 -24.6039 3.8922 3.9233 8.7224 8.8443 9.0994 9.3372 10.2224 10.2941 10.6073 10.6421 11.3743 11.4837 11.5547 11.6101 11.7726 11.7735 12.9731 13.1207 14.0662 14.0991 14.2444 14.2889 14.3019 14.3259 14.7455 14.8232 k = 0.5000 0.0000 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1618 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6056 -24.6039 3.8922 3.9233 8.7224 8.8443 9.0994 9.3372 10.2224 10.2941 10.6073 10.6421 11.3743 11.4837 11.5547 11.6101 11.7726 11.7735 12.9731 13.1207 14.0662 14.0991 14.2444 14.2889 14.3019 14.3259 14.7455 14.8232 k = 0.4934 0.0114 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1617 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6057 -24.6039 3.8920 3.9230 8.7205 8.8393 9.1038 9.3386 10.2212 10.2926 10.6087 10.6438 11.3750 11.4840 11.5564 11.6123 11.7724 11.7743 12.9710 13.1178 14.0641 14.0968 14.2451 14.2897 14.3047 14.3305 14.7453 14.8240 k = 0.4868 0.0228 0.6124 ( 4542 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1638 -27.1615 -27.1453 -27.1307 -25.4416 -25.4191 -24.6233 -24.6132 -24.6057 -24.6039 3.8911 3.9221 8.7150 8.8262 9.1158 9.3425 10.2174 10.2877 10.6126 10.6489 11.3780 11.4860 11.5608 11.6183 11.7721 11.7764 12.9644 13.1090 14.0597 14.0918 14.2448 14.2891 14.3154 14.3441 14.7448 14.8254 k = 0.4803 0.0342 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1639 -27.1613 -27.1452 -27.1308 -25.4416 -25.4191 -24.6233 -24.6132 -24.6057 -24.6039 3.8898 3.9206 8.7066 8.8076 9.1325 9.3484 10.2108 10.2796 10.6186 10.6568 11.3839 11.4910 11.5671 11.6273 11.7719 11.7795 12.9533 13.0941 14.0553 14.0864 14.2433 14.2867 14.3339 14.3632 14.7439 14.8260 k = 0.4737 0.0456 0.6124 ( 4534 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1641 -27.1609 -27.1452 -27.1309 -25.4415 -25.4192 -24.6232 -24.6132 -24.6058 -24.6039 3.8882 3.9188 8.6959 8.7860 9.1518 9.3560 10.2014 10.2682 10.6262 10.6668 11.3933 11.4996 11.5746 11.6389 11.7720 11.7839 12.9375 13.0733 14.0522 14.0819 14.2417 14.2845 14.3565 14.3851 14.7428 14.8249 k = 0.4671 0.0570 0.6124 ( 4537 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1643 -27.1605 -27.1452 -27.1311 -25.4415 -25.4194 -24.6232 -24.6132 -24.6059 -24.6038 3.8863 3.9166 8.6837 8.7629 9.1722 9.3648 10.1892 10.2538 10.6352 10.6784 11.4060 11.5118 11.5830 11.6530 11.7724 11.7896 12.9173 13.0468 14.0511 14.0790 14.2412 14.2833 14.3810 14.4082 14.7416 14.8237 k = 0.4605 0.0684 0.6124 ( 4543 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2954 -27.1644 -27.1601 -27.1452 -27.1312 -25.4414 -25.4195 -24.6231 -24.6132 -24.6060 -24.6038 3.8842 3.9142 8.6704 8.7395 9.1930 9.3745 10.1744 10.2368 10.6451 10.6909 11.4216 11.5271 11.5919 11.6695 11.7733 11.7972 12.8929 13.0152 14.0517 14.0778 14.2425 14.2836 14.4063 14.4316 14.7405 14.8229 k = 0.4539 0.0798 0.6124 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2954 -27.1646 -27.1597 -27.1452 -27.1314 -25.4413 -25.4196 -24.6230 -24.6132 -24.6061 -24.6038 3.8819 3.9117 8.6565 8.7164 9.2136 9.3848 10.1575 10.2176 10.6556 10.7039 11.4395 11.5446 11.6009 11.6884 11.7754 11.8069 12.8647 12.9791 14.0536 14.0781 14.2461 14.2859 14.4315 14.4548 14.7396 14.8231 k = 0.4474 0.0912 0.6124 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3029 -30.2954 -27.1648 -27.1592 -27.1452 -27.1316 -25.4412 -25.4198 -24.6229 -24.6132 -24.6062 -24.6038 3.8796 3.9090 8.6426 8.6942 9.2336 9.3957 10.1387 10.1967 10.6665 10.7169 11.4587 11.5629 11.6098 11.7088 11.7800 11.8193 12.8330 12.9390 14.0563 14.0794 14.2522 14.2902 14.4562 14.4772 14.7392 14.8243 k = 0.4408 0.1026 0.6124 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2954 -27.1649 -27.1588 -27.1452 -27.1318 -25.4411 -25.4200 -24.6228 -24.6133 -24.6062 -24.6037 3.8773 3.9064 8.6289 8.6732 9.2530 9.4069 10.1187 10.1747 10.6774 10.7295 11.4783 11.5809 11.6185 11.7277 11.7905 11.8348 12.7985 12.8959 14.0592 14.0811 14.2608 14.2966 14.4799 14.4988 14.7393 14.8268 k = 0.4342 0.1140 0.6124 ( 4537 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2955 -27.1651 -27.1583 -27.1451 -27.1321 -25.4410 -25.4201 -24.6227 -24.6133 -24.6063 -24.6037 3.8751 3.9038 8.6158 8.6536 9.2716 9.4182 10.0979 10.1522 10.6880 10.7416 11.4974 11.5973 11.6273 11.7405 11.8112 11.8538 12.7617 12.8502 14.0620 14.0827 14.2716 14.3048 14.5022 14.5192 14.7402 14.8306 k = 0.4276 0.1253 0.6124 ( 4543 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2955 -27.1652 -27.1579 -27.1451 -27.1323 -25.4409 -25.4203 -24.6226 -24.6133 -24.6064 -24.6037 3.8729 3.9013 8.6035 8.6356 9.2892 9.4295 10.0769 10.1298 10.6981 10.7528 11.5153 11.6106 11.6368 11.7468 11.8420 11.8766 12.7231 12.8028 14.0644 14.0841 14.2842 14.3147 14.5229 14.5384 14.7420 14.8357 k = 0.4211 0.1367 0.6124 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3027 -30.2956 -27.1653 -27.1575 -27.1451 -27.1326 -25.4407 -25.4205 -24.6225 -24.6134 -24.6065 -24.6037 3.8709 3.8989 8.5923 8.6194 9.3057 9.4405 10.0564 10.1080 10.7075 10.7631 11.5315 11.6199 11.6477 11.7494 11.8790 11.9030 12.6837 12.7544 14.0663 14.0850 14.2976 14.3256 14.5414 14.5562 14.7451 14.8423 k = 0.4145 0.1481 0.6124 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3027 -30.2956 -27.1654 -27.1571 -27.1451 -27.1328 -25.4406 -25.4206 -24.6224 -24.6134 -24.6066 -24.6036 3.8691 3.8968 8.5823 8.6051 9.3209 9.4510 10.0369 10.0873 10.7159 10.7722 11.5457 11.6257 11.6593 11.7501 11.9176 11.9340 12.6440 12.7058 14.0677 14.0855 14.3111 14.3369 14.5577 14.5721 14.7497 14.8500 k = 0.4079 0.1595 0.6124 ( 4544 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3026 -30.2956 -27.1655 -27.1568 -27.1451 -27.1330 -25.4406 -25.4207 -24.6223 -24.6134 -24.6067 -24.6036 3.8675 3.8950 8.5737 8.5928 9.3346 9.4608 10.0191 10.0685 10.7233 10.7801 11.5580 11.6291 11.6705 11.7498 11.9529 11.9713 12.6050 12.6581 14.0687 14.0857 14.3239 14.3480 14.5715 14.5858 14.7557 14.8587 k = 0.4013 0.1709 0.6124 ( 4532 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2956 -27.1655 -27.1565 -27.1450 -27.1332 -25.4405 -25.4209 -24.6222 -24.6134 -24.6067 -24.6036 3.8662 3.8934 8.5666 8.5825 9.3463 9.4694 10.0034 10.0521 10.7296 10.7866 11.5682 11.6310 11.6807 11.7488 11.9842 12.0121 12.5680 12.6128 14.0693 14.0857 14.3353 14.3581 14.5830 14.5968 14.7630 14.8675 k = 0.3947 0.1823 0.6124 ( 4532 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1656 -27.1563 -27.1450 -27.1333 -25.4404 -25.4210 -24.6221 -24.6135 -24.6068 -24.6036 3.8651 3.8921 8.5610 8.5744 9.3559 9.4767 9.9906 10.0386 10.7345 10.7918 11.5764 11.6318 11.6892 11.7475 12.0121 12.0514 12.5342 12.5721 14.0697 14.0856 14.3447 14.3667 14.5921 14.6050 14.7710 14.8752 k = 0.3882 0.1937 0.6124 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1656 -27.1561 -27.1450 -27.1334 -25.4404 -25.4210 -24.6221 -24.6135 -24.6068 -24.6036 3.8644 3.8912 8.5571 8.5684 9.3631 9.4821 9.9810 10.0285 10.7381 10.7955 11.5825 11.6320 11.6958 11.7461 12.0350 12.0851 12.5058 12.5390 14.0698 14.0855 14.3517 14.3732 14.5988 14.6103 14.7785 14.8799 k = 0.3816 0.2051 0.6124 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6221 -24.6135 -24.6068 -24.6036 3.8639 3.8907 8.5548 8.5648 9.3675 9.4855 9.9751 10.0223 10.7403 10.7978 11.5862 11.6319 11.7000 11.7451 12.0503 12.1087 12.4858 12.5173 14.0699 14.0854 14.3560 14.3772 14.6030 14.6133 14.7840 14.8813 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8814 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8814 k = 0.3682 0.2126 0.6012 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2956 -27.1659 -27.1557 -27.1448 -27.1334 -25.4406 -25.4209 -24.6222 -24.6137 -24.6065 -24.6035 3.8608 3.8882 8.5917 8.6016 9.2926 9.4058 9.9305 9.9768 10.7590 10.8165 11.5856 11.6566 11.7104 11.7404 12.0730 12.1475 12.4896 12.5206 14.0321 14.0516 14.4219 14.4433 14.6084 14.6170 14.8035 14.9081 k = 0.3614 0.2086 0.5901 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3026 -30.2955 -27.1662 -27.1554 -27.1446 -27.1333 -25.4408 -25.4208 -24.6223 -24.6139 -24.6062 -24.6034 3.8566 3.8845 8.6304 8.6404 9.2183 9.3270 9.8887 9.9342 10.7786 10.8362 11.5802 11.6702 11.7174 11.7413 12.0959 12.1829 12.5008 12.5314 13.9944 14.0181 14.4804 14.5009 14.6136 14.6213 14.8223 14.9296 k = 0.3545 0.2047 0.5790 ( 4540 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3026 -30.2954 -27.1663 -27.1551 -27.1445 -27.1333 -25.4411 -25.4208 -24.6223 -24.6141 -24.6060 -24.6034 3.8512 3.8795 8.6697 8.6796 9.1473 9.2510 9.8479 9.8926 10.7996 10.8573 11.5730 11.6729 11.7215 11.7471 12.1241 12.2224 12.5119 12.5423 13.9574 13.9853 14.5320 14.5504 14.6205 14.6272 14.8425 14.9507 k = 0.3477 0.2008 0.5678 ( 4528 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3026 -30.2953 -27.1664 -27.1548 -27.1443 -27.1333 -25.4413 -25.4208 -24.6224 -24.6143 -24.6057 -24.6033 3.8442 3.8728 8.7091 8.7180 9.0807 9.1789 9.8080 9.8522 10.8219 10.8797 11.5648 11.6687 11.7226 11.7540 12.1568 12.2648 12.5231 12.5533 13.9217 13.9538 14.5767 14.5917 14.6296 14.6353 14.8640 14.9727 k = 0.3409 0.1968 0.5567 ( 4528 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3026 -30.2953 -27.1664 -27.1545 -27.1441 -27.1333 -25.4414 -25.4208 -24.6224 -24.6145 -24.6055 -24.6033 3.8357 3.8644 8.7474 8.7534 9.0213 9.1120 9.7694 9.8129 10.8453 10.9033 11.5559 11.6610 11.7211 11.7594 12.1927 12.3088 12.5345 12.5645 13.8878 13.9240 14.6151 14.6244 14.6427 14.6457 14.8871 14.9960 k = 0.3341 0.1929 0.5456 ( 4528 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3025 -30.2952 -27.1664 -27.1541 -27.1439 -27.1334 -25.4416 -25.4209 -24.6223 -24.6147 -24.6053 -24.6033 3.8254 3.8541 8.7798 8.7821 8.9752 9.0532 9.7320 9.7750 10.8695 10.9278 11.5467 11.6517 11.7173 11.7626 12.2303 12.3532 12.5461 12.5760 13.8564 13.8966 14.6466 14.6474 14.6593 14.6634 14.9116 15.0209 k = 0.3273 0.1890 0.5344 ( 4528 PWs) bands (ev): -57.6624 -57.6623 -51.0646 -51.0646 -30.3025 -30.2952 -27.1663 -27.1538 -27.1437 -27.1335 -25.4417 -25.4211 -24.6223 -24.6148 -24.6051 -24.6033 3.8133 3.8418 8.7846 8.8070 8.9554 9.0087 9.6961 9.7385 10.8945 10.9529 11.5373 11.6414 11.7118 11.7637 12.2683 12.3966 12.5579 12.5879 13.8282 13.8720 14.6641 14.6714 14.6793 14.6871 14.9378 15.0473 k = 0.3205 0.1850 0.5233 ( 4528 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3024 -30.2951 -27.1662 -27.1534 -27.1435 -27.1337 -25.4418 -25.4213 -24.6222 -24.6149 -24.6050 -24.6033 3.7992 3.8273 8.7616 8.8102 8.9683 8.9907 9.6616 9.7036 10.9198 10.9784 11.5277 11.6305 11.7050 11.7631 12.3054 12.4381 12.5701 12.6001 13.8040 13.8510 14.6828 14.6909 14.7029 14.7092 14.9657 15.0754 k = 0.3136 0.1811 0.5122 ( 4526 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3023 -30.2951 -27.1660 -27.1530 -27.1433 -27.1339 -25.4419 -25.4216 -24.6221 -24.6150 -24.6049 -24.6034 3.7829 3.8106 8.7240 8.7874 9.0006 9.0036 9.6286 9.6703 10.9454 11.0040 11.5179 11.6191 11.6972 11.7612 12.3405 12.4765 12.5825 12.6129 13.7846 13.8341 14.7033 14.7125 14.7245 14.7299 14.9954 15.1052 k = 0.3068 0.1771 0.5010 ( 4540 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3022 -30.2951 -27.1657 -27.1526 -27.1431 -27.1341 -25.4420 -25.4219 -24.6220 -24.6151 -24.6048 -24.6034 3.7645 3.7917 8.6833 8.7511 9.0350 9.0409 9.5973 9.6386 10.9709 11.0294 11.5080 11.6073 11.6890 11.7586 12.3729 12.5109 12.5951 12.6262 13.7706 13.8219 14.7248 14.7369 14.7438 14.7509 15.0270 15.1367 k = 0.3000 0.1732 0.4899 ( 4542 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0645 -30.3021 -30.2951 -27.1654 -27.1521 -27.1429 -27.1343 -25.4420 -25.4223 -24.6218 -24.6152 -24.6047 -24.6035 3.7439 3.7703 8.6442 8.7119 9.0742 9.0847 9.5678 9.6087 10.9960 11.0540 11.4980 11.5952 11.6806 11.7556 12.4017 12.5405 12.6080 12.6400 13.7629 13.8149 14.7447 14.7602 14.7654 14.7751 15.0606 15.1699 k = 0.2932 0.1693 0.4788 ( 4534 PWs) bands (ev): -57.6624 -57.6624 -51.0645 -51.0645 -30.3019 -30.2951 -27.1650 -27.1517 -27.1427 -27.1346 -25.4421 -25.4227 -24.6216 -24.6153 -24.6046 -24.6036 3.7209 3.7466 8.6085 8.6743 9.1167 9.1300 9.5401 9.5807 11.0206 11.0777 11.4877 11.5828 11.6728 11.7525 12.4266 12.5648 12.6211 12.6541 13.7620 13.8135 14.7614 14.7758 14.7959 14.8046 15.0964 15.2049 k = 0.2864 0.1653 0.4676 ( 4532 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3018 -30.2951 -27.1645 -27.1512 -27.1425 -27.1348 -25.4421 -25.4232 -24.6214 -24.6153 -24.6046 -24.6037 3.6957 3.7204 8.5770 8.6401 9.1603 9.1758 9.5145 9.5547 11.0442 11.0998 11.4771 11.5701 11.6659 11.7498 12.4473 12.5839 12.6344 12.6683 13.7680 13.8178 14.7752 14.7897 14.8298 14.8392 15.1343 15.2416 k = 0.2795 0.1614 0.4565 ( 4532 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3016 -30.2951 -27.1640 -27.1507 -27.1423 -27.1351 -25.4421 -25.4237 -24.6212 -24.6153 -24.6046 -24.6038 3.6682 3.6919 8.5501 8.6102 9.2040 9.2212 9.4910 9.5309 11.0666 11.1199 11.4661 11.5571 11.6606 11.7477 12.4637 12.5980 12.6477 12.6823 13.7811 13.8279 14.7871 14.8021 14.8669 14.8783 15.1745 15.2800 k = 0.2727 0.1575 0.4454 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3014 -30.2951 -27.1634 -27.1502 -27.1421 -27.1354 -25.4422 -25.4242 -24.6209 -24.6153 -24.6046 -24.6039 3.6383 3.6610 8.5282 8.5849 9.2467 9.2656 9.4702 9.5097 11.0875 11.1376 11.4546 11.5439 11.6576 11.7466 12.4760 12.6075 12.6612 12.6957 13.8010 13.8437 14.7975 14.8132 14.9072 14.9215 15.2169 15.3201 k = 0.2659 0.1535 0.4342 ( 4538 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3012 -30.2951 -27.1628 -27.1497 -27.1419 -27.1357 -25.4422 -25.4248 -24.6207 -24.6153 -24.6046 -24.6040 3.6063 3.6279 8.5112 8.5645 9.2871 9.3079 9.4531 9.4919 11.1066 11.1524 11.4423 11.5303 11.6574 11.7468 12.4846 12.6129 12.6747 12.7087 13.8270 13.8647 14.8066 14.8231 14.9505 14.9685 15.2616 15.3617 k = 0.2591 0.1496 0.4231 ( 4546 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.3010 -30.2951 -27.1621 -27.1493 -27.1418 -27.1360 -25.4422 -25.4255 -24.6204 -24.6153 -24.6047 -24.6042 3.5722 3.5925 8.4992 8.5491 9.3223 9.3457 9.4420 9.4793 11.1236 11.1641 11.4291 11.5165 11.6607 11.7487 12.4899 12.6149 12.6884 12.7214 13.8584 13.8905 14.8147 14.8320 14.9968 15.0193 15.3083 15.4046 k = 0.2523 0.1456 0.4120 ( 4544 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.3008 -30.2951 -27.1613 -27.1487 -27.1416 -27.1363 -25.4422 -25.4261 -24.6201 -24.6153 -24.6047 -24.6043 3.5361 3.5552 8.4922 8.5387 9.3464 9.3743 9.4424 9.4766 11.1384 11.1725 11.4149 11.5023 11.6677 11.7527 12.4925 12.6139 12.7021 12.7341 13.8943 13.9205 14.8218 14.8398 15.0461 15.0738 15.3570 15.4487 k = 0.2455 0.1417 0.4008 ( 4550 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.3006 -30.2951 -27.1606 -27.1482 -27.1414 -27.1366 -25.4422 -25.4268 -24.6197 -24.6152 -24.6048 -24.6045 3.4980 3.5159 8.4901 8.5331 9.3542 9.3870 9.4596 9.4900 11.1507 11.1776 11.3998 11.4878 11.6785 11.7589 12.4933 12.6107 12.7159 12.7467 13.9338 13.9539 14.8280 14.8467 15.0983 15.1317 15.4074 15.4937 k = 0.2386 0.1378 0.3897 ( 4550 PWs) bands (ev): -57.6627 -57.6627 -51.0644 -51.0644 -30.3003 -30.2951 -27.1597 -27.1477 -27.1412 -27.1369 -25.4422 -25.4275 -24.6194 -24.6152 -24.6049 -24.6046 3.4583 3.4749 8.4927 8.5323 9.3507 9.3864 9.4877 9.5166 11.1605 11.1794 11.3838 11.4729 11.6933 11.7678 12.4927 12.6062 12.7296 12.7593 13.9760 13.9901 14.8334 14.8526 15.1534 15.1930 15.4592 15.5395 k = 0.2318 0.1338 0.3786 ( 4550 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.3001 -30.2951 -27.1589 -27.1472 -27.1410 -27.1372 -25.4423 -25.4283 -24.6191 -24.6151 -24.6050 -24.6048 3.4169 3.4324 8.4999 8.5362 9.3435 9.3803 9.5194 9.5483 11.1676 11.1783 11.3670 11.4576 11.7116 11.7794 12.4916 12.6010 12.7433 12.7719 14.0201 14.0284 14.8380 14.8577 15.2112 15.2575 15.5122 15.5856 k = 0.2250 0.1299 0.3674 ( 4551 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.2998 -30.2951 -27.1580 -27.1467 -27.1408 -27.1374 -25.4423 -25.4291 -24.6187 -24.6150 -24.6052 -24.6050 3.3742 3.3885 8.5114 8.5445 9.3357 9.3729 9.5509 9.5807 11.1723 11.1747 11.3496 11.4419 11.7333 11.7940 12.4906 12.5959 12.7569 12.7844 14.0651 14.0681 14.8418 14.8620 15.2715 15.3249 15.5661 15.6318 k = 0.2182 0.1260 0.3563 ( 4555 PWs) bands (ev): -57.6628 -57.6628 -51.0643 -51.0643 -30.2996 -30.2952 -27.1571 -27.1462 -27.1407 -27.1377 -25.4423 -25.4299 -24.6183 -24.6149 -24.6053 -24.6052 3.3303 3.3434 8.5272 8.5571 9.3286 9.3659 9.5808 9.6117 11.1688 11.1745 11.3318 11.4258 11.7581 11.8115 12.4901 12.5915 12.7704 12.7969 14.1087 14.1106 14.8449 14.8654 15.3341 15.3947 15.6204 15.6781 k = 0.2114 0.1220 0.3452 ( 4547 PWs) bands (ev): -57.6628 -57.6628 -51.0643 -51.0642 -30.2993 -30.2951 -27.1561 -27.1456 -27.1405 -27.1379 -25.4424 -25.4307 -24.6180 -24.6147 -24.6055 -24.6054 3.2854 3.2973 8.5469 8.5736 9.3226 9.3600 9.6084 9.6404 11.1611 11.1745 11.3136 11.4091 11.7856 11.8322 12.4907 12.5882 12.7836 12.8092 14.1497 14.1558 14.8473 14.8681 15.3985 15.4663 15.6752 15.7245 k = 0.2045 0.1181 0.3340 ( 4551 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2990 -30.2951 -27.1551 -27.1451 -27.1403 -27.1381 -25.4424 -25.4315 -24.6176 -24.6146 -24.6056 -24.6056 3.2397 3.2505 8.5702 8.5940 9.3180 9.3553 9.6333 9.6664 11.1518 11.1723 11.2951 11.3920 11.8156 11.8558 12.4927 12.5865 12.7967 12.8212 14.1906 14.2002 14.8491 14.8700 15.4640 15.5384 15.7304 15.7715 k = 0.1977 0.1142 0.3229 ( 4555 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2988 -30.2951 -27.1542 -27.1446 -27.1401 -27.1383 -25.4425 -25.4323 -24.6172 -24.6144 -24.6058 -24.6058 3.1934 3.2032 8.5969 8.6178 9.3149 9.3521 9.6551 9.6894 11.1413 11.1683 11.2765 11.3744 11.8479 11.8824 12.4965 12.5866 12.8095 12.8331 14.2310 14.2436 14.8502 14.8712 15.5296 15.6092 15.7864 15.8205 k = 0.1909 0.1102 0.3118 ( 4547 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2985 -30.2951 -27.1532 -27.1441 -27.1399 -27.1384 -25.4426 -25.4332 -24.6168 -24.6143 -24.6060 -24.6060 3.1467 3.1556 8.6268 8.6449 9.3133 9.3503 9.6739 9.7091 11.1298 11.1626 11.2578 11.3563 11.8824 11.9120 12.5023 12.5888 12.8219 12.8446 14.2706 14.2856 14.8507 14.8718 15.5936 15.6758 15.8440 15.8738 k = 0.1841 0.1063 0.3006 ( 4563 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2982 -30.2952 -27.1522 -27.1437 -27.1398 -27.1386 -25.4427 -25.4340 -24.6164 -24.6141 -24.6062 -24.6062 3.0998 3.1078 8.6595 8.6749 9.3133 9.3500 9.6894 9.7254 11.1175 11.1555 11.2390 11.3376 11.9190 11.9445 12.5102 12.5933 12.8341 12.8558 14.3091 14.3259 14.8506 14.8718 15.6543 15.7344 15.9044 15.9344 k = 0.1773 0.1023 0.2895 ( 4559 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2979 -30.2951 -27.1512 -27.1432 -27.1396 -27.1387 -25.4428 -25.4348 -24.6160 -24.6139 -24.6064 -24.6064 3.0530 3.0601 8.6947 8.7075 9.3147 9.3512 9.7018 9.7384 11.1046 11.1469 11.2201 11.3185 11.9576 11.9796 12.5203 12.6000 12.8459 12.8667 14.3464 14.3644 14.8500 14.8711 15.7098 15.7828 15.9687 16.0041 k = 0.1705 0.0984 0.2784 ( 4567 PWs) bands (ev): -57.6631 -57.6631 -51.0641 -51.0641 -30.2977 -30.2951 -27.1502 -27.1428 -27.1395 -27.1388 -25.4429 -25.4356 -24.6156 -24.6138 -24.6066 -24.6066 3.0064 3.0127 8.7322 8.7425 9.3177 9.3538 9.7111 9.7482 11.0913 11.1372 11.2011 11.2988 11.9980 12.0174 12.5326 12.6091 12.8573 12.8772 14.3823 14.4011 14.8490 14.8699 15.7586 15.8211 16.0378 16.0825 k = 0.1636 0.0945 0.2672 ( 4573 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2974 -30.2951 -27.1493 -27.1423 -27.1393 -27.1389 -25.4430 -25.4364 -24.6153 -24.6136 -24.6069 -24.6068 2.9602 2.9657 8.7715 8.7795 9.3221 9.3579 9.7174 9.7548 11.0775 11.1265 11.1820 11.2787 12.0402 12.0577 12.5471 12.6205 12.8683 12.8873 14.4166 14.4358 14.8475 14.8682 15.8002 15.8511 16.1117 16.1673 k = 0.1568 0.0905 0.2561 ( 4561 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2972 -30.2951 -27.1483 -27.1419 -27.1391 -27.1389 -25.4432 -25.4372 -24.6149 -24.6134 -24.6071 -24.6070 2.9145 2.9194 8.8125 8.8182 9.3279 9.3633 9.7210 9.7584 11.0634 11.1148 11.1628 11.2581 12.0840 12.1002 12.5636 12.6341 12.8789 12.8970 14.4494 14.4686 14.8455 14.8660 15.8350 15.8748 16.1894 16.2562 k = 0.1500 0.0866 0.2449 ( 4563 PWs) bands (ev): -57.6632 -57.6632 -51.0640 -51.0640 -30.2969 -30.2950 -27.1473 -27.1414 -27.1389 -27.1389 -25.4433 -25.4380 -24.6145 -24.6132 -24.6073 -24.6072 2.8696 2.8739 8.8547 8.8584 9.3351 9.3700 9.7220 9.7594 11.0491 11.1023 11.1435 11.2370 12.1294 12.1448 12.5821 12.6498 12.8891 12.9063 14.4806 14.4995 14.8433 14.8634 15.8639 15.8937 16.2698 16.3474 k = 0.1432 0.0827 0.2338 ( 4571 PWs) bands (ev): -57.6632 -57.6632 -51.0639 -51.0639 -30.2967 -30.2950 -27.1464 -27.1411 -27.1389 -27.1388 -25.4435 -25.4388 -24.6142 -24.6130 -24.6075 -24.6074 2.8257 2.8293 8.8979 8.8996 9.3435 9.3779 9.7209 9.7579 11.0346 11.0891 11.1241 11.2156 12.1761 12.1912 12.6023 12.6673 12.8989 12.9152 14.5101 14.5285 14.8406 14.8603 15.8878 15.9089 16.3514 16.4393 k = 0.1364 0.0787 0.2227 ( 4559 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2964 -30.2949 -27.1455 -27.1406 -27.1388 -27.1386 -25.4437 -25.4395 -24.6138 -24.6128 -24.6077 -24.6076 2.7828 2.7859 8.9415 8.9417 9.3532 9.3870 9.7177 9.7543 11.0200 11.0753 11.1046 11.1938 12.2241 12.2392 12.6241 12.6864 12.9083 12.9237 14.5379 14.5557 14.8378 14.8570 15.9078 15.9215 16.4328 16.5307 k = 0.1295 0.0748 0.2115 ( 4559 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2962 -30.2949 -27.1446 -27.1403 -27.1387 -27.1384 -25.4439 -25.4402 -24.6135 -24.6126 -24.6079 -24.6078 2.7411 2.7438 8.9839 8.9857 9.3641 9.3972 9.7128 9.7489 11.0053 11.0610 11.0850 11.1717 12.2730 12.2884 12.6472 12.7069 12.9172 12.9317 14.5642 14.5811 14.8346 14.8534 15.9248 15.9321 16.5126 16.6203 k = 0.1227 0.0709 0.2004 ( 4551 PWs) bands (ev): -57.6633 -57.6633 -51.0638 -51.0638 -30.2959 -30.2948 -27.1438 -27.1399 -27.1385 -27.1383 -25.4441 -25.4409 -24.6131 -24.6123 -24.6081 -24.6080 2.7008 2.7031 9.0264 9.0297 9.3761 9.4083 9.7066 9.7420 10.9906 11.0462 11.0654 11.1493 12.3228 12.3387 12.6713 12.7285 12.9258 12.9394 14.5887 14.6049 14.8313 14.8495 15.9395 15.9416 16.5897 16.7070 k = 0.1159 0.0669 0.1893 ( 4551 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2957 -30.2948 -27.1430 -27.1396 -27.1384 -27.1381 -25.4443 -25.4416 -24.6128 -24.6121 -24.6083 -24.6082 2.6620 2.6639 9.0687 9.0733 9.3890 9.4204 9.6993 9.7340 10.9759 11.0312 11.0458 11.1267 12.3731 12.3897 12.6961 12.7508 12.9339 12.9466 14.6117 14.6270 14.8279 14.8454 15.9506 15.9527 16.6629 16.7895 k = 0.1091 0.0630 0.1781 ( 4547 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2955 -30.2947 -27.1422 -27.1393 -27.1382 -27.1379 -25.4445 -25.4422 -24.6125 -24.6119 -24.6084 -24.6084 2.6248 2.6264 9.1103 9.1160 9.4029 9.4333 9.6912 9.7251 10.9613 11.0159 11.0262 11.1041 12.4237 12.4410 12.7214 12.7736 12.9416 12.9535 14.6331 14.6475 14.8243 14.8412 15.9594 15.9650 16.7310 16.8663 k = 0.1023 0.0590 0.1670 ( 4557 PWs) bands (ev): -57.6634 -57.6634 -51.0637 -51.0637 -30.2953 -30.2947 -27.1415 -27.1390 -27.1381 -27.1378 -25.4447 -25.4428 -24.6122 -24.6117 -24.6086 -24.6086 2.5894 2.5907 9.1510 9.1575 9.4177 9.4470 9.6826 9.7157 10.9469 11.0004 11.0069 11.0814 12.4743 12.4923 12.7469 12.7965 12.9490 12.9600 14.6530 14.6665 14.8207 14.8368 15.9688 15.9770 16.7932 16.9360 k = 0.0955 0.0551 0.1559 ( 4561 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2952 -30.2946 -27.1409 -27.1388 -27.1379 -27.1377 -25.4449 -25.4433 -24.6119 -24.6115 -24.6088 -24.6088 2.5557 2.5568 9.1903 9.1974 9.4333 9.4614 9.6737 9.7061 10.9328 10.9849 10.9879 11.0589 12.5246 12.5432 12.7722 12.8192 12.9559 12.9661 14.6713 14.6841 14.8172 14.8324 15.9789 15.9890 16.8486 16.9968 k = 0.0886 0.0512 0.1447 ( 4559 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2950 -30.2946 -27.1402 -27.1385 -27.1378 -27.1375 -25.4451 -25.4438 -24.6117 -24.6114 -24.6089 -24.6089 2.5240 2.5248 9.2279 9.2353 9.4495 9.4764 9.6650 9.6965 10.9191 10.9693 10.9695 11.0365 12.5742 12.5934 12.7971 12.8414 12.9626 12.9719 14.6882 14.7001 14.8136 14.8281 15.9901 16.0014 16.8966 17.0468 k = 0.0818 0.0472 0.1336 ( 4569 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2949 -30.2945 -27.1397 -27.1383 -27.1376 -27.1374 -25.4453 -25.4443 -24.6114 -24.6112 -24.6091 -24.6091 2.4943 2.4949 9.2633 9.2707 9.4664 9.4919 9.6565 9.6872 10.9058 10.9512 10.9543 11.0146 12.6228 12.6423 12.8214 12.8628 12.9689 12.9775 14.7036 14.7148 14.8102 14.8237 16.0025 16.0143 16.9368 17.0839 k = 0.0750 0.0433 0.1225 ( 4573 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2948 -30.2945 -27.1392 -27.1381 -27.1375 -27.1373 -25.4455 -25.4448 -24.6112 -24.6110 -24.6092 -24.6092 2.4667 2.4672 9.2961 9.3033 9.4838 9.5078 9.6487 9.6784 10.8932 10.9339 10.9394 10.9931 12.6700 12.6895 12.8448 12.8832 12.9750 12.9828 14.7176 14.7281 14.8069 14.8195 16.0162 16.0280 16.9693 17.1072 k = 0.0682 0.0394 0.1113 ( 4573 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2946 -30.2944 -27.1387 -27.1379 -27.1373 -27.1372 -25.4458 -25.4452 -24.6110 -24.6109 -24.6094 -24.6094 2.4412 2.4416 9.3260 9.3326 9.5016 9.5241 9.6416 9.6704 10.8813 10.9174 10.9250 10.9722 12.7152 12.7343 12.8672 12.9023 12.9807 12.9879 14.7302 14.7400 14.8038 14.8154 16.0312 16.0424 16.9943 17.1170 k = 0.0614 0.0354 0.1002 ( 4573 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2945 -30.2944 -27.1383 -27.1376 -27.1372 -27.1371 -25.4459 -25.4455 -24.6108 -24.6107 -24.6095 -24.6095 2.4180 2.4182 9.3526 9.3583 9.5197 9.5406 9.6356 9.6632 10.8703 10.9020 10.9110 10.9522 12.7579 12.7761 12.8886 12.9201 12.9863 12.9928 14.7414 14.7506 14.8009 14.8115 16.0473 16.0574 17.0123 17.1157 k = 0.0545 0.0315 0.0891 ( 4569 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2944 -30.2943 -27.1379 -27.1374 -27.1370 -27.1370 -25.4461 -25.4458 -24.6106 -24.6106 -24.6096 -24.6096 2.3970 2.3972 9.3757 9.3803 9.5377 9.5569 9.6307 9.6569 10.8603 10.8879 10.8978 10.9331 12.7974 12.8141 12.9091 12.9364 12.9917 12.9976 14.7514 14.7598 14.7982 14.8078 16.0642 16.0728 17.0240 17.1064 k = 0.0477 0.0276 0.0779 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2943 -27.1376 -27.1373 -27.1369 -27.1369 -25.4463 -25.4461 -24.6105 -24.6104 -24.6097 -24.6097 2.3784 2.3786 9.3952 9.3987 9.5553 9.5727 9.6272 9.6517 10.8515 10.8751 10.8855 10.9152 12.8329 12.8473 12.9289 12.9515 12.9969 13.0023 14.7601 14.7677 14.7959 14.8044 16.0814 16.0883 17.0301 17.0919 k = 0.0409 0.0236 0.0668 ( 4577 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2942 -27.1373 -27.1371 -27.1368 -27.1368 -25.4465 -25.4463 -24.6104 -24.6103 -24.6098 -24.6098 2.3622 2.3623 9.4111 9.4135 9.5721 9.5875 9.6251 9.6474 10.8440 10.8638 10.8741 10.8986 12.8638 12.8750 12.9484 12.9656 13.0019 13.0068 14.7675 14.7744 14.7939 14.8012 16.0984 16.1036 17.0315 17.0745 k = 0.0341 0.0197 0.0557 ( 4571 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1370 -27.1369 -27.1367 -27.1367 -25.4466 -25.4465 -24.6103 -24.6102 -24.6098 -24.6098 2.3484 2.3485 9.4236 9.4251 9.5876 9.6009 9.6243 9.6439 10.8380 10.8543 10.8639 10.8835 12.8891 12.8966 12.9673 12.9790 13.0066 13.0111 14.7739 14.7798 14.7923 14.7984 16.1146 16.1180 17.0291 17.0562 k = 0.0273 0.0157 0.0445 ( 4585 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1369 -27.1368 -27.1367 -27.1367 -25.4467 -25.4467 -24.6102 -24.6102 -24.6099 -24.6099 2.3371 2.3371 9.4330 9.4338 9.6013 9.6123 9.6246 9.6410 10.8337 10.8466 10.8550 10.8701 12.9084 12.9126 12.9849 12.9918 13.0110 13.0148 14.7791 14.7840 14.7910 14.7960 16.1291 16.1312 17.0240 17.0389 k = 0.0205 0.0118 0.0334 ( 4585 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1368 -27.1367 -27.1366 -27.1366 -25.4468 -25.4468 -24.6101 -24.6101 -24.6100 -24.6100 2.3283 2.3283 9.4398 9.4401 9.6128 9.6213 9.6259 9.6386 10.8312 10.8409 10.8476 10.8585 12.9221 12.9238 13.0000 13.0034 13.0148 13.0179 14.7833 14.7870 14.7901 14.7939 16.1414 16.1423 17.0175 17.0241 k = 0.0136 0.0079 0.0223 ( 4583 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1367 -27.1366 -27.1366 -27.1366 -25.4469 -25.4469 -24.6101 -24.6101 -24.6100 -24.6100 2.3219 2.3220 9.4443 9.4444 9.6217 9.6276 9.6278 9.6363 10.8307 10.8371 10.8418 10.8488 12.9308 12.9313 13.0115 13.0128 13.0179 13.0200 14.7864 14.7890 14.7897 14.7922 16.1507 16.1510 17.0110 17.0130 k = 0.0068 0.0039 0.0111 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1366 -27.1366 -27.1366 -27.1365 -25.4469 -25.4469 -24.6100 -24.6100 -24.6100 -24.6100 2.3181 2.3181 9.4468 9.4468 9.6278 9.6299 9.6309 9.6340 10.8321 10.8353 10.8377 10.8412 12.9355 12.9356 13.0187 13.0191 13.0200 13.0211 14.7886 14.7896 14.7899 14.7909 16.1564 16.1564 17.0061 17.0064 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1365 -27.1365 -27.1365 -27.1365 -25.4470 -25.4470 -24.6100 -24.6100 -24.6100 -24.6100 2.3169 2.3169 9.4476 9.4476 9.6314 9.6314 9.6314 9.6314 10.8356 10.8356 10.8356 10.8356 12.9370 12.9370 13.0211 13.0211 13.0211 13.0211 14.7899 14.7899 14.7899 14.7899 16.1583 16.1583 17.0042 17.0042 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1365 -27.1365 -27.1365 -27.1365 -25.4470 -25.4470 -24.6100 -24.6100 -24.6100 -24.6100 2.3169 2.3169 9.4476 9.4476 9.6314 9.6314 9.6314 9.6314 10.8356 10.8356 10.8356 10.8356 12.9370 12.9370 13.0211 13.0211 13.0211 13.0211 14.7899 14.7899 14.7899 14.7899 16.1583 16.1583 17.0042 17.0042 k = 0.0111 0.0064 0.0045 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1366 -27.1366 -27.1366 -27.1366 -25.4469 -25.4469 -24.6100 -24.6100 -24.6100 -24.6100 2.3181 2.3181 9.4468 9.4468 9.6280 9.6303 9.6303 9.6340 10.8319 10.8365 10.8365 10.8413 12.9356 12.9356 13.0188 13.0188 13.0201 13.0213 14.7887 14.7898 14.7898 14.7908 16.1564 16.1564 17.0062 17.0062 k = 0.0222 0.0128 0.0091 ( 4579 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2941 -30.2941 -27.1366 -27.1366 -27.1366 -27.1366 -25.4469 -25.4469 -24.6101 -24.6101 -24.6100 -24.6100 2.3219 2.3219 9.4444 9.4444 9.6237 9.6269 9.6269 9.6356 10.8304 10.8394 10.8394 10.8491 12.9310 12.9310 13.0119 13.0119 13.0182 13.0206 14.7872 14.7894 14.7894 14.7914 16.1508 16.1508 17.0120 17.0120 k = 0.0333 0.0192 0.0136 ( 4588 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1367 -27.1367 -27.1367 -27.1366 -25.4468 -25.4468 -24.6101 -24.6101 -24.6099 -24.6099 2.3282 2.3282 9.4403 9.4403 9.6187 9.6214 9.6214 9.6363 10.8310 10.8442 10.8442 10.8589 12.9225 12.9225 13.0014 13.0014 13.0154 13.0190 14.7854 14.7887 14.7887 14.7916 16.1419 16.1419 17.0210 17.0210 k = 0.0444 0.0257 0.0181 ( 4588 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1369 -27.1369 -27.1367 -27.1367 -25.4467 -25.4467 -24.6102 -24.6102 -24.6099 -24.6099 2.3370 2.3370 9.4346 9.4346 9.6129 9.6138 9.6138 9.6361 10.8337 10.8508 10.8508 10.8705 12.9089 12.9089 12.9889 12.9889 13.0117 13.0166 14.7833 14.7878 14.7878 14.7916 16.1302 16.1302 17.0323 17.0323 k = 0.0556 0.0321 0.0227 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0635 -51.0635 -30.2942 -30.2942 -27.1370 -27.1370 -27.1368 -27.1367 -25.4466 -25.4466 -24.6103 -24.6103 -24.6098 -24.6098 2.3483 2.3483 9.4269 9.4269 9.6044 9.6044 9.6065 9.6350 10.8384 10.8591 10.8591 10.8839 12.8887 12.8887 12.9761 12.9761 13.0073 13.0134 14.7809 14.7865 14.7865 14.7912 16.1162 16.1162 17.0449 17.0449 k = 0.0667 0.0385 0.0272 ( 4579 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2943 -27.1371 -27.1371 -27.1369 -27.1369 -25.4464 -25.4464 -24.6104 -24.6104 -24.6097 -24.6097 2.3621 2.3621 9.4173 9.4173 9.5935 9.5935 9.5995 9.6330 10.8451 10.8691 10.8691 10.8990 12.8612 12.8612 12.9643 12.9643 13.0021 13.0096 14.7781 14.7850 14.7850 14.7905 16.1005 16.1005 17.0579 17.0579 k = 0.0778 0.0449 0.0318 ( 4573 PWs) bands (ev): -57.6637 -57.6637 -51.0636 -51.0636 -30.2943 -30.2943 -27.1373 -27.1373 -27.1370 -27.1369 -25.4462 -25.4462 -24.6105 -24.6105 -24.6096 -24.6096 2.3782 2.3782 9.4054 9.4054 9.5813 9.5813 9.5921 9.6303 10.8537 10.8807 10.8807 10.9156 12.8265 12.8265 12.9536 12.9536 12.9962 13.0052 14.7750 14.7831 14.7831 14.7894 16.0835 16.0835 17.0707 17.0707 k = 0.0889 0.0513 0.0363 ( 4579 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2944 -30.2944 -27.1376 -27.1376 -27.1371 -27.1371 -25.4460 -25.4460 -24.6107 -24.6107 -24.6095 -24.6095 2.3968 2.3968 9.3911 9.3911 9.5683 9.5683 9.5842 9.6268 10.8639 10.8937 10.8937 10.9336 12.7857 12.7857 12.9437 12.9437 12.9898 13.0002 14.7716 14.7809 14.7809 14.7880 16.0654 16.0654 17.0827 17.0827 k = 0.1000 0.0577 0.0408 ( 4573 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2944 -30.2944 -27.1378 -27.1378 -27.1372 -27.1372 -25.4457 -25.4457 -24.6108 -24.6108 -24.6094 -24.6094 2.4177 2.4177 9.3742 9.3742 9.5549 9.5549 9.5761 9.6226 10.8758 10.9079 10.9079 10.9528 12.7397 12.7397 12.9343 12.9343 12.9830 12.9949 14.7677 14.7784 14.7784 14.7862 16.0466 16.0466 17.0936 17.0936 k = 0.1111 0.0642 0.0454 ( 4576 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2945 -30.2945 -27.1382 -27.1382 -27.1374 -27.1374 -25.4455 -25.4455 -24.6110 -24.6110 -24.6093 -24.6093 2.4409 2.4409 9.3543 9.3543 9.5413 9.5413 9.5678 9.6179 10.8891 10.9233 10.9233 10.9730 12.6894 12.6894 12.9252 12.9252 12.9758 12.9893 14.7635 14.7755 14.7755 14.7840 16.0270 16.0270 17.1032 17.1032 k = 0.1222 0.0706 0.0499 ( 4570 PWs) bands (ev): -57.6636 -57.6636 -51.0636 -51.0636 -30.2946 -30.2946 -27.1384 -27.1384 -27.1376 -27.1375 -25.4452 -25.4452 -24.6112 -24.6112 -24.6091 -24.6091 2.4663 2.4663 9.3313 9.3313 9.5281 9.5281 9.5594 9.6126 10.9037 10.9397 10.9397 10.9941 12.6354 12.6354 12.9163 12.9163 12.9684 12.9836 14.7589 14.7721 14.7721 14.7813 16.0066 16.0066 17.1113 17.1113 k = 0.1333 0.0770 0.0544 ( 4570 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2947 -30.2947 -27.1388 -27.1388 -27.1377 -27.1377 -25.4448 -25.4448 -24.6114 -24.6114 -24.6090 -24.6090 2.4939 2.4939 9.3052 9.3052 9.5153 9.5153 9.5510 9.6069 10.9195 10.9569 10.9569 11.0158 12.5786 12.5786 12.9076 12.9076 12.9610 12.9778 14.7539 14.7684 14.7684 14.7782 15.9851 15.9851 17.1181 17.1181 k = 0.1444 0.0834 0.0590 ( 4546 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2947 -30.2947 -27.1391 -27.1391 -27.1379 -27.1378 -25.4445 -25.4445 -24.6116 -24.6116 -24.6088 -24.6088 2.5235 2.5235 9.2760 9.2760 9.5033 9.5033 9.5426 9.6009 10.9361 10.9746 10.9746 11.0380 12.5195 12.5195 12.8993 12.8993 12.9537 12.9722 14.7485 14.7641 14.7641 14.7746 15.9624 15.9624 17.1233 17.1233 k = 0.1556 0.0898 0.0635 ( 4546 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2948 -30.2948 -27.1395 -27.1395 -27.1381 -27.1380 -25.4441 -25.4441 -24.6119 -24.6119 -24.6086 -24.6086 2.5552 2.5552 9.2438 9.2438 9.4919 9.4919 9.5343 9.5946 10.9535 10.9928 10.9928 11.0605 12.4587 12.4587 12.8915 12.8915 12.9466 12.9669 14.7425 14.7593 14.7593 14.7705 15.9381 15.9381 17.1270 17.1270 k = 0.1667 0.0962 0.0680 ( 4552 PWs) bands (ev): -57.6635 -57.6635 -51.0637 -51.0637 -30.2950 -30.2950 -27.1399 -27.1399 -27.1383 -27.1382 -25.4438 -25.4438 -24.6121 -24.6121 -24.6084 -24.6084 2.5888 2.5888 9.2087 9.2087 9.4813 9.4813 9.5262 9.5882 10.9715 11.0112 11.0112 11.0832 12.3968 12.3968 12.8843 12.8843 12.9401 12.9621 14.7361 14.7540 14.7540 14.7658 15.9118 15.9118 17.1292 17.1292 k = 0.1778 0.1026 0.0726 ( 4540 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2951 -30.2951 -27.1403 -27.1403 -27.1385 -27.1384 -25.4434 -25.4434 -24.6124 -24.6124 -24.6082 -24.6082 2.6243 2.6243 9.1710 9.1710 9.4714 9.4714 9.5183 9.5816 10.9899 11.0296 11.0296 11.1056 12.3343 12.3343 12.8780 12.8780 12.9341 12.9579 14.7291 14.7481 14.7481 14.7606 15.8831 15.8831 17.1297 17.1297 k = 0.1889 0.1091 0.0771 ( 4537 PWs) bands (ev): -57.6634 -57.6634 -51.0638 -51.0638 -30.2952 -30.2952 -27.1407 -27.1407 -27.1387 -27.1386 -25.4429 -25.4429 -24.6127 -24.6127 -24.6080 -24.6080 2.6615 2.6615 9.1308 9.1308 9.4621 9.4621 9.5108 9.5750 11.0084 11.0478 11.0478 11.1278 12.2717 12.2717 12.8726 12.8726 12.9291 12.9544 14.7216 14.7415 14.7415 14.7547 15.8517 15.8517 17.1287 17.1287 k = 0.2000 0.1155 0.0816 ( 4549 PWs) bands (ev): -57.6633 -57.6633 -51.0638 -51.0638 -30.2953 -30.2953 -27.1412 -27.1412 -27.1389 -27.1389 -25.4425 -25.4425 -24.6129 -24.6129 -24.6078 -24.6078 2.7003 2.7003 9.0884 9.0884 9.4535 9.4535 9.5035 9.5684 11.0270 11.0657 11.0657 11.1495 12.2094 12.2094 12.8685 12.8685 12.9250 12.9519 14.7136 14.7343 14.7343 14.7482 15.8171 15.8171 17.1260 17.1260 k = 0.2111 0.1219 0.0862 ( 4543 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2955 -30.2955 -27.1417 -27.1417 -27.1392 -27.1391 -25.4421 -25.4421 -24.6132 -24.6132 -24.6076 -24.6076 2.7405 2.7405 9.0440 9.0440 9.4455 9.4455 9.4966 9.5619 11.0454 11.0829 11.0829 11.1705 12.1479 12.1479 12.8657 12.8657 12.9222 12.9505 14.7049 14.7263 14.7263 14.7411 15.7790 15.7790 17.1217 17.1217 k = 0.2222 0.1283 0.0907 ( 4543 PWs) bands (ev): -57.6633 -57.6633 -51.0639 -51.0639 -30.2956 -30.2956 -27.1422 -27.1422 -27.1394 -27.1393 -25.4417 -25.4417 -24.6135 -24.6135 -24.6074 -24.6074 2.7822 2.7822 8.9978 8.9978 9.4381 9.4381 9.4901 9.5555 11.0635 11.0995 11.0995 11.1906 12.0876 12.0876 12.8645 12.8645 12.9207 12.9503 14.6956 14.7176 14.7176 14.7332 15.7371 15.7371 17.1157 17.1157 k = 0.2333 0.1347 0.0953 ( 4549 PWs) bands (ev): -57.6632 -57.6632 -51.0639 -51.0639 -30.2957 -30.2957 -27.1427 -27.1427 -27.1397 -27.1396 -25.4412 -25.4412 -24.6138 -24.6138 -24.6072 -24.6072 2.8250 2.8250 8.9500 8.9500 9.4312 9.4312 9.4841 9.5492 11.0811 11.1150 11.1150 11.2096 12.0288 12.0288 12.8650 12.8650 12.9209 12.9515 14.6857 14.7081 14.7081 14.7245 15.6912 15.6912 17.1081 17.1081 k = 0.2444 0.1411 0.0998 ( 4549 PWs) bands (ev): -57.6632 -57.6632 -51.0639 -51.0639 -30.2959 -30.2959 -27.1432 -27.1432 -27.1399 -27.1398 -25.4408 -25.4408 -24.6141 -24.6141 -24.6070 -24.6069 2.8689 2.8689 8.9008 8.9008 9.4249 9.4249 9.4785 9.5431 11.0981 11.1295 11.1295 11.2274 11.9718 11.9718 12.8673 12.8673 12.9227 12.9542 14.6751 14.6977 14.6977 14.7151 15.6413 15.6413 17.0989 17.0989 k = 0.2556 0.1475 0.1043 ( 4561 PWs) bands (ev): -57.6632 -57.6632 -51.0640 -51.0640 -30.2961 -30.2961 -27.1437 -27.1437 -27.1402 -27.1401 -25.4403 -25.4403 -24.6144 -24.6144 -24.6067 -24.6067 2.9137 2.9137 8.8504 8.8504 9.4190 9.4190 9.4733 9.5372 11.1143 11.1428 11.1428 11.2438 11.9170 11.9170 12.8717 12.8717 12.9265 12.9585 14.6639 14.6865 14.6865 14.7049 15.5874 15.5874 17.0881 17.0881 k = 0.2667 0.1540 0.1089 ( 4567 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2962 -30.2962 -27.1442 -27.1442 -27.1404 -27.1403 -25.4399 -25.4399 -24.6147 -24.6147 -24.6065 -24.6065 2.9592 2.9592 8.7991 8.7991 9.4137 9.4137 9.4686 9.5316 11.1297 11.1546 11.1546 11.2587 11.8646 11.8646 12.8781 12.8781 12.9321 12.9644 14.6520 14.6744 14.6744 14.6939 15.5298 15.5298 17.0758 17.0758 k = 0.2778 0.1604 0.1134 ( 4555 PWs) bands (ev): -57.6631 -57.6631 -51.0640 -51.0640 -30.2963 -30.2963 -27.1446 -27.1446 -27.1406 -27.1406 -25.4394 -25.4394 -24.6150 -24.6150 -24.6063 -24.6063 3.0053 3.0053 8.7471 8.7471 9.4088 9.4088 9.4644 9.5261 11.1442 11.1651 11.1651 11.2720 11.8147 11.8147 12.8866 12.8866 12.9398 12.9721 14.6394 14.6614 14.6614 14.6820 15.4688 15.4688 17.0622 17.0622 k = 0.2889 0.1668 0.1179 ( 4567 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2965 -30.2965 -27.1451 -27.1451 -27.1409 -27.1408 -25.4390 -25.4390 -24.6152 -24.6152 -24.6061 -24.6061 3.0516 3.0516 8.6947 8.6947 9.4043 9.4043 9.4607 9.5210 11.1577 11.1740 11.1740 11.2837 11.7677 11.7677 12.8973 12.8973 12.9496 12.9815 14.6261 14.6474 14.6474 14.6693 15.4049 15.4049 17.0474 17.0474 k = 0.3000 0.1732 0.1225 ( 4567 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2966 -30.2966 -27.1456 -27.1456 -27.1411 -27.1411 -25.4386 -25.4386 -24.6155 -24.6155 -24.6059 -24.6059 3.0981 3.0981 8.6420 8.6420 9.4003 9.4003 9.4575 9.5161 11.1702 11.1813 11.1813 11.2936 11.7235 11.7235 12.9101 12.9101 12.9613 12.9925 14.6122 14.6326 14.6326 14.6558 15.3388 15.3388 17.0315 17.0315 k = 0.3111 0.1796 0.1270 ( 4570 PWs) bands (ev): -57.6630 -57.6630 -51.0641 -51.0641 -30.2967 -30.2967 -27.1461 -27.1461 -27.1414 -27.1413 -25.4381 -25.4381 -24.6158 -24.6158 -24.6057 -24.6057 3.1444 3.1444 8.5894 8.5894 9.3967 9.3967 9.4547 9.5114 11.1817 11.1871 11.1871 11.3019 11.6824 11.6824 12.9250 12.9250 12.9751 13.0053 14.5977 14.6168 14.6168 14.6414 15.2711 15.2711 17.0148 17.0148 k = 0.3222 0.1860 0.1315 ( 4570 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2969 -30.2969 -27.1465 -27.1465 -27.1416 -27.1415 -25.4377 -25.4377 -24.6160 -24.6160 -24.6055 -24.6055 3.1904 3.1904 8.5372 8.5372 9.3935 9.3935 9.4524 9.5070 11.1913 11.1913 11.1922 11.3086 11.6443 11.6443 12.9418 12.9418 12.9906 13.0196 14.5826 14.6003 14.6003 14.6263 15.2026 15.2026 16.9974 16.9974 k = 0.3333 0.1925 0.1361 ( 4564 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2970 -30.2970 -27.1469 -27.1469 -27.1418 -27.1417 -25.4373 -25.4373 -24.6163 -24.6163 -24.6053 -24.6053 3.2357 3.2357 8.4857 8.4857 9.3907 9.3907 9.4505 9.5028 11.1940 11.1940 11.2016 11.3136 11.6094 11.6094 12.9603 12.9603 13.0079 13.0353 14.5671 14.5829 14.5829 14.6104 15.1340 15.1340 16.9796 16.9796 k = 0.3444 0.1989 0.1406 ( 4570 PWs) bands (ev): -57.6629 -57.6629 -51.0642 -51.0642 -30.2971 -30.2971 -27.1474 -27.1474 -27.1420 -27.1420 -25.4369 -25.4369 -24.6165 -24.6165 -24.6051 -24.6051 3.2801 3.2801 8.4352 8.4352 9.3883 9.3883 9.4491 9.4989 11.1954 11.1954 11.2102 11.3171 11.5776 11.5776 12.9804 12.9804 13.0267 13.0523 14.5511 14.5649 14.5649 14.5938 15.0661 15.0661 16.9617 16.9617 k = 0.3556 0.2053 0.1452 ( 4558 PWs) bands (ev): -57.6628 -57.6628 -51.0642 -51.0642 -30.2972 -30.2972 -27.1477 -27.1477 -27.1422 -27.1421 -25.4366 -25.4366 -24.6168 -24.6168 -24.6049 -24.6049 3.3233 3.3233 8.3860 8.3860 9.3861 9.3861 9.4480 9.4952 11.1954 11.1954 11.2178 11.3192 11.5490 11.5490 13.0019 13.0019 13.0467 13.0703 14.5349 14.5463 14.5463 14.5767 14.9995 14.9995 16.9438 16.9438 k = 0.3667 0.2117 0.1497 ( 4564 PWs) bands (ev): -57.6628 -57.6628 -51.0643 -51.0643 -30.2973 -30.2973 -27.1481 -27.1481 -27.1424 -27.1424 -25.4362 -25.4362 -24.6170 -24.6170 -24.6047 -24.6047 3.3651 3.3651 8.3384 8.3384 9.3843 9.3843 9.4474 9.4917 11.1944 11.1944 11.2247 11.3201 11.5233 11.5233 13.0243 13.0243 13.0677 13.0892 14.5185 14.5272 14.5272 14.5591 14.9350 14.9350 16.9263 16.9263 k = 0.3778 0.2181 0.1542 ( 4552 PWs) bands (ev): -57.6628 -57.6628 -51.0643 -51.0643 -30.2974 -30.2974 -27.1484 -27.1484 -27.1426 -27.1425 -25.4359 -25.4359 -24.6172 -24.6172 -24.6046 -24.6046 3.4050 3.4050 8.2929 8.2929 9.3827 9.3827 9.4471 9.4884 11.1924 11.1924 11.2309 11.3198 11.5006 11.5006 13.0475 13.0475 13.0893 13.1086 14.5022 14.5079 14.5079 14.5413 14.8732 14.8732 16.9093 16.9093 k = 0.3889 0.2245 0.1588 ( 4543 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.2975 -30.2975 -27.1487 -27.1487 -27.1427 -27.1427 -25.4356 -25.4356 -24.6174 -24.6174 -24.6044 -24.6044 3.4429 3.4429 8.2498 8.2498 9.3814 9.3814 9.4471 9.4852 11.1896 11.1896 11.2364 11.3185 11.4807 11.4807 13.0709 13.0709 13.1112 13.1283 14.4861 14.4886 14.4886 14.5233 14.8148 14.8148 16.8931 16.8931 k = 0.4000 0.2309 0.1633 ( 4543 PWs) bands (ev): -57.6627 -57.6627 -51.0643 -51.0643 -30.2975 -30.2975 -27.1490 -27.1490 -27.1429 -27.1428 -25.4353 -25.4353 -24.6176 -24.6176 -24.6043 -24.6043 3.4784 3.4784 8.2094 8.2094 9.3803 9.3803 9.4474 9.4822 11.1863 11.1863 11.2415 11.3163 11.4634 11.4634 13.0943 13.0943 13.1329 13.1478 14.4695 14.4695 14.4705 14.5055 14.7602 14.7602 16.8778 16.8778 k = 0.4111 0.2374 0.1678 ( 4543 PWs) bands (ev): -57.6627 -57.6627 -51.0644 -51.0644 -30.2976 -30.2976 -27.1493 -27.1493 -27.1430 -27.1430 -25.4351 -25.4351 -24.6177 -24.6177 -24.6042 -24.6042 3.5111 3.5111 8.1721 8.1721 9.3795 9.3795 9.4481 9.4793 11.1826 11.1826 11.2462 11.3135 11.4485 11.4485 13.1170 13.1170 13.1541 13.1668 14.4509 14.4509 14.4556 14.4880 14.7101 14.7101 16.8636 16.8636 k = 0.4222 0.2438 0.1724 ( 4536 PWs) bands (ev): -57.6627 -57.6627 -51.0644 -51.0644 -30.2977 -30.2977 -27.1495 -27.1495 -27.1431 -27.1431 -25.4348 -25.4348 -24.6178 -24.6178 -24.6041 -24.6041 3.5409 3.5409 8.1383 8.1383 9.3787 9.3787 9.4489 9.4766 11.1789 11.1789 11.2507 11.3100 11.4359 11.4359 13.1388 13.1388 13.1743 13.1849 14.4332 14.4332 14.4417 14.4712 14.6647 14.6647 16.8507 16.8507 k = 0.4333 0.2502 0.1769 ( 4536 PWs) bands (ev): -57.6627 -57.6627 -51.0644 -51.0644 -30.2977 -30.2977 -27.1497 -27.1497 -27.1432 -27.1432 -25.4346 -25.4346 -24.6180 -24.6180 -24.6040 -24.6040 3.5673 3.5673 8.1082 8.1082 9.3782 9.3782 9.4500 9.4740 11.1752 11.1752 11.2549 11.3062 11.4254 11.4254 13.1591 13.1591 13.1930 13.2017 14.4168 14.4168 14.4292 14.4553 14.6246 14.6246 16.8392 16.8392 k = 0.4444 0.2566 0.1814 ( 4533 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1499 -27.1499 -27.1433 -27.1433 -25.4345 -25.4345 -24.6181 -24.6181 -24.6039 -24.6039 3.5902 3.5902 8.0822 8.0822 9.3777 9.3777 9.4513 9.4714 11.1718 11.1718 11.2590 11.3020 11.4168 11.4168 13.1773 13.1773 13.2099 13.2168 14.4019 14.4019 14.4183 14.4407 14.5900 14.5900 16.8293 16.8293 k = 0.4556 0.2630 0.1860 ( 4533 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1500 -27.1500 -27.1434 -27.1434 -25.4343 -25.4343 -24.6182 -24.6182 -24.6038 -24.6038 3.6093 3.6093 8.0605 8.0605 9.3774 9.3774 9.4528 9.4690 11.1689 11.1689 11.2630 11.2976 11.4099 11.4099 13.1931 13.1931 13.2245 13.2297 14.3891 14.3891 14.4093 14.4277 14.5614 14.5614 16.8210 16.8210 k = 0.4667 0.2694 0.1905 ( 4527 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1501 -27.1501 -27.1434 -27.1434 -25.4342 -25.4342 -24.6182 -24.6182 -24.6038 -24.6038 3.6244 3.6244 8.0433 8.0433 9.3772 9.3772 9.4545 9.4667 11.1664 11.1664 11.2671 11.2932 11.4048 11.4048 13.2059 13.2059 13.2363 13.2401 14.3786 14.3786 14.4025 14.4166 14.5388 14.5388 16.8145 16.8145 k = 0.4778 0.2758 0.1951 ( 4521 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1502 -27.1502 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6353 3.6353 8.0309 8.0309 9.3770 9.3770 9.4562 9.4644 11.1646 11.1646 11.2712 11.2887 11.4011 11.4011 13.2154 13.2154 13.2452 13.2476 14.3708 14.3708 14.3982 14.4078 14.5226 14.5226 16.8098 16.8098 k = 0.4889 0.2823 0.1996 ( 4512 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1503 -27.1503 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6419 3.6419 8.0235 8.0235 9.3769 9.3769 9.4581 9.4622 11.1635 11.1635 11.2754 11.2842 11.3990 11.3990 13.2212 13.2212 13.2509 13.2521 14.3661 14.3661 14.3966 14.4014 14.5128 14.5128 16.8069 16.8069 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1503 -27.1503 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6441 3.6441 8.0210 8.0210 9.3769 9.3769 9.4601 9.4601 11.1631 11.1631 11.2798 11.2798 11.3983 11.3983 13.2231 13.2231 13.2532 13.2532 14.3645 14.3645 14.3976 14.3976 14.5095 14.5095 16.8060 16.8060 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1503 -27.1503 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6441 3.6441 8.0210 8.0210 9.3769 9.3769 9.4601 9.4601 11.1631 11.1631 11.2798 11.2798 11.3983 11.3983 13.2231 13.2231 13.2532 13.2532 14.3645 14.3645 14.3976 14.3976 14.5095 14.5095 16.8060 16.8060 k = 0.5039 0.2774 0.2105 ( 4519 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2981 -30.2976 -27.1510 -27.1497 -27.1434 -27.1434 -25.4347 -25.4335 -24.6185 -24.6182 -24.6037 -24.6037 3.6438 3.6453 8.0207 8.0237 9.3758 9.3777 9.4601 9.4601 11.1624 11.1647 11.2804 11.2804 11.3969 11.3992 13.2203 13.2225 13.2515 13.2515 14.3630 14.3639 14.3966 14.3966 14.5087 14.5117 16.7882 16.7994 k = 0.5078 0.2661 0.2169 ( 4534 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2983 -30.2975 -27.1517 -27.1492 -27.1434 -27.1434 -25.4352 -25.4329 -24.6186 -24.6180 -24.6037 -24.6037 3.6444 3.6474 8.0231 8.0290 9.3746 9.3783 9.4600 9.4602 11.1625 11.1673 11.2825 11.2825 11.3950 11.3996 13.2138 13.2184 13.2465 13.2466 14.3590 14.3606 14.3942 14.3944 14.5093 14.5150 16.7519 16.7666 k = 0.5117 0.2548 0.2233 ( 4536 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2985 -30.2973 -27.1525 -27.1488 -27.1434 -27.1432 -25.4358 -25.4323 -24.6188 -24.6179 -24.6037 -24.6037 3.6459 3.6504 8.0279 8.0368 9.3730 9.3783 9.4602 9.4606 11.1633 11.1707 11.2859 11.2860 11.3926 11.3998 13.2038 13.2108 13.2382 13.2385 14.3516 14.3532 14.3922 14.3926 14.5109 14.5188 16.7026 16.7130 k = 0.5156 0.2436 0.2296 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2987 -30.2971 -27.1533 -27.1485 -27.1433 -27.1429 -25.4363 -25.4317 -24.6190 -24.6177 -24.6037 -24.6037 3.6483 3.6543 8.0353 8.0471 9.3707 9.3772 9.4609 9.4619 11.1648 11.1750 11.2906 11.2908 11.3896 11.3998 13.1902 13.2000 13.2266 13.2274 14.3403 14.3413 14.3919 14.3922 14.5131 14.5228 16.6441 16.6460 k = 0.5195 0.2323 0.2360 ( 4535 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2990 -30.2969 -27.1541 -27.1484 -27.1432 -27.1425 -25.4368 -25.4310 -24.6192 -24.6176 -24.6037 -24.6037 3.6515 3.6590 8.0452 8.0599 9.3673 9.3745 9.4626 9.4646 11.1667 11.1802 11.2966 11.2970 11.3860 11.3998 13.1729 13.1859 13.2117 13.2132 14.3255 14.3257 14.3933 14.3934 14.5156 14.5266 16.5705 16.5787 k = 0.5234 0.2210 0.2424 ( 4535 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2992 -30.2968 -27.1549 -27.1484 -27.1432 -27.1420 -25.4373 -25.4304 -24.6193 -24.6174 -24.6037 -24.6037 3.6556 3.6646 8.0576 8.0752 9.3625 9.3700 9.4657 9.4691 11.1689 11.1860 11.3038 11.3045 11.3819 11.3998 13.1520 13.1686 13.1937 13.1963 14.3067 14.3085 14.3957 14.3958 14.5181 14.5300 16.4892 16.5075 k = 0.5273 0.2097 0.2488 ( 4537 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2994 -30.2966 -27.1557 -27.1485 -27.1431 -27.1415 -25.4377 -25.4298 -24.6195 -24.6173 -24.6038 -24.6037 3.6606 3.6709 8.0725 8.0928 9.3560 9.3633 9.4704 9.4757 11.1710 11.1925 11.3123 11.3132 11.3774 11.4003 13.1276 13.1480 13.1728 13.1766 14.2860 14.2896 14.3989 14.3992 14.5204 14.5331 16.4038 16.4318 k = 0.5312 0.1985 0.2552 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0644 -30.2996 -30.2964 -27.1565 -27.1487 -27.1430 -27.1409 -25.4382 -25.4292 -24.6197 -24.6171 -24.6038 -24.6037 3.6663 3.6780 8.0898 8.1128 9.3478 9.3546 9.4770 9.4843 11.1727 11.1992 11.3218 11.3231 11.3727 11.4015 13.0996 13.1242 13.1493 13.1545 14.2638 14.2693 14.4028 14.4031 14.5226 14.5358 16.3153 16.3522 k = 0.5352 0.1872 0.2615 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.2998 -30.2963 -27.1573 -27.1489 -27.1430 -27.1403 -25.4386 -25.4286 -24.6199 -24.6170 -24.6038 -24.6037 3.6727 3.6858 8.1095 8.1351 9.3379 9.3439 9.4855 9.4949 11.1736 11.2060 11.3325 11.3338 11.3685 11.4037 13.0681 13.0968 13.1237 13.1300 14.2407 14.2482 14.4071 14.4075 14.5247 14.5382 16.2247 16.2698 k = 0.5391 0.1759 0.2679 ( 4526 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.3000 -30.2961 -27.1580 -27.1492 -27.1430 -27.1397 -25.4389 -25.4279 -24.6200 -24.6168 -24.6039 -24.6036 3.6799 3.6943 8.1315 8.1597 9.3265 9.3316 9.4957 9.5072 11.1732 11.2122 11.3438 11.3440 11.3664 11.4074 13.0332 13.0659 13.0963 13.1035 14.2171 14.2267 14.4119 14.4122 14.5268 14.5405 16.1329 16.1852 k = 0.5430 0.1646 0.2743 ( 4529 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3003 -30.2960 -27.1588 -27.1495 -27.1430 -27.1391 -25.4393 -25.4273 -24.6202 -24.6167 -24.6039 -24.6036 3.6877 3.7034 8.1558 8.1863 9.3139 9.3179 9.5076 9.5213 11.1712 11.2172 11.3491 11.3565 11.3711 11.4129 12.9951 13.0315 13.0675 13.0751 14.1933 14.2050 14.4171 14.4171 14.5289 14.5427 16.0407 16.0993 k = 0.5469 0.1534 0.2807 ( 4533 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3005 -30.2959 -27.1595 -27.1498 -27.1430 -27.1385 -25.4396 -25.4268 -24.6204 -24.6165 -24.6040 -24.6036 3.6960 3.7130 8.1823 8.2150 9.3003 9.3029 9.5211 9.5368 11.1671 11.2199 11.3497 11.3696 11.3833 11.4207 12.9539 12.9938 13.0375 13.0450 14.1698 14.1834 14.4222 14.4224 14.5312 14.5449 15.9488 16.0128 k = 0.5508 0.1421 0.2870 ( 4531 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3007 -30.2958 -27.1602 -27.1501 -27.1430 -27.1380 -25.4399 -25.4262 -24.6206 -24.6164 -24.6041 -24.6036 3.7050 3.7231 8.2108 8.2455 9.2859 9.2870 9.5360 9.5538 11.1605 11.2194 11.3508 11.3835 11.3987 11.4308 12.9100 12.9531 13.0065 13.0135 14.1466 14.1622 14.4274 14.4280 14.5336 14.5472 15.8578 15.9265 k = 0.5547 0.1308 0.2934 ( 4540 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3009 -30.2958 -27.1609 -27.1505 -27.1431 -27.1374 -25.4402 -25.4257 -24.6208 -24.6162 -24.6041 -24.6036 3.7143 3.7336 8.2412 8.2776 9.2704 9.2711 9.5522 9.5720 11.1513 11.2146 11.3546 11.3982 11.4159 11.4432 12.8634 12.9098 12.9746 12.9808 14.1242 14.1417 14.4327 14.4336 14.5364 14.5497 15.7683 15.8411 k = 0.5586 0.1195 0.2998 ( 4536 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3011 -30.2957 -27.1615 -27.1509 -27.1431 -27.1369 -25.4404 -25.4251 -24.6209 -24.6161 -24.6042 -24.6036 3.7241 3.7445 8.2734 8.3113 9.2533 9.2562 9.5697 9.5915 11.1395 11.2054 11.3615 11.4137 11.4342 11.4578 12.8146 12.8641 12.9419 12.9472 14.1028 14.1219 14.4379 14.4394 14.5395 14.5525 15.6810 15.7572 k = 0.5625 0.1083 0.3062 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3012 -30.2956 -27.1621 -27.1512 -27.1432 -27.1364 -25.4406 -25.4246 -24.6211 -24.6159 -24.6043 -24.6035 3.7342 3.7556 8.3072 8.3460 9.2360 9.2415 9.5884 9.6121 11.1249 11.1920 11.3714 11.4300 11.4536 11.4742 12.7638 12.8166 12.9087 12.9127 14.0825 14.1032 14.4431 14.4451 14.5429 14.5556 15.5961 15.6753 k = 0.5664 0.0970 0.3126 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3014 -30.2955 -27.1627 -27.1516 -27.1433 -27.1360 -25.4408 -25.4241 -24.6212 -24.6158 -24.6044 -24.6035 3.7446 3.7669 8.3421 8.3815 9.2188 9.2275 9.6081 9.6337 11.1077 11.1749 11.3837 11.4473 11.4737 11.4921 12.7115 12.7674 12.8753 12.8778 14.0636 14.0857 14.4483 14.4508 14.5468 14.5591 15.5143 15.5960 k = 0.5703 0.0857 0.3189 ( 4545 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0645 -30.3016 -30.2955 -27.1633 -27.1520 -27.1434 -27.1356 -25.4409 -25.4237 -24.6214 -24.6156 -24.6045 -24.6035 3.7551 3.7783 8.3780 8.4173 9.2021 9.2147 9.6288 9.6563 11.0879 11.1546 11.3978 11.4655 11.4944 11.5112 12.6579 12.7171 12.8418 12.8425 14.0463 14.0697 14.4533 14.4565 14.5511 14.5628 15.4356 15.5196 k = 0.5742 0.0744 0.3253 ( 4543 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3017 -30.2955 -27.1637 -27.1524 -27.1435 -27.1352 -25.4410 -25.4232 -24.6215 -24.6155 -24.6047 -24.6035 3.7657 3.7897 8.4143 8.4528 9.1863 9.2036 9.6505 9.6798 11.0659 11.1316 11.4133 11.4844 11.5157 11.5312 12.6034 12.6660 12.8072 12.8084 14.0309 14.0554 14.4581 14.4619 14.5557 14.5669 15.3606 15.4465 k = 0.5781 0.0631 0.3317 ( 4543 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3019 -30.2954 -27.1642 -27.1527 -27.1436 -27.1349 -25.4411 -25.4229 -24.6217 -24.6153 -24.6048 -24.6034 3.7762 3.8010 8.4505 8.4872 9.1720 9.1950 9.6730 9.7041 11.0418 11.1063 11.4297 11.5040 11.5372 11.5519 12.5485 12.6143 12.7721 12.7754 14.0176 14.0429 14.4625 14.4672 14.5608 14.5712 15.2893 15.3769 k = 0.5820 0.0519 0.3381 ( 4539 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3020 -30.2954 -27.1646 -27.1531 -27.1437 -27.1346 -25.4412 -25.4225 -24.6218 -24.6152 -24.6049 -24.6034 3.7867 3.8121 8.4857 8.5196 9.1599 9.1897 9.6962 9.7291 11.0158 11.0790 11.4468 11.5240 11.5588 11.5729 12.4936 12.5626 12.7375 12.7432 14.0065 14.0324 14.4666 14.4721 14.5661 14.5758 15.2220 15.3112 k = 0.5859 0.0406 0.3445 ( 4539 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3021 -30.2954 -27.1649 -27.1534 -27.1438 -27.1343 -25.4412 -25.4222 -24.6219 -24.6150 -24.6051 -24.6034 3.7969 3.8230 8.5191 8.5491 9.1508 9.1887 9.7201 9.7546 10.9883 11.0503 11.4642 11.5442 11.5802 11.5942 12.4391 12.5111 12.7036 12.7118 13.9978 14.0241 14.4700 14.4765 14.5718 14.5805 15.1588 15.2495 k = 0.5898 0.0293 0.3508 ( 4535 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3022 -30.2954 -27.1652 -27.1538 -27.1439 -27.1340 -25.4412 -25.4219 -24.6220 -24.6148 -24.6052 -24.6034 3.8068 3.8334 8.5496 8.5744 9.1457 9.1929 9.7445 9.7807 10.9596 11.0205 11.4816 11.5641 11.6013 11.6153 12.3855 12.4603 12.6708 12.6817 13.9918 14.0182 14.4725 14.4802 14.5776 14.5853 15.0998 15.1921 k = 0.5938 0.0180 0.3572 ( 4528 PWs) bands (ev): -57.6624 -57.6623 -51.0646 -51.0646 -30.3023 -30.2954 -27.1654 -27.1541 -27.1440 -27.1338 -25.4412 -25.4216 -24.6221 -24.6147 -24.6054 -24.6034 3.8163 3.8433 8.5758 8.5945 9.1457 9.2032 9.7694 9.8072 10.9302 10.9900 11.4989 11.5835 11.6217 11.6360 12.3331 12.4104 12.6393 12.6531 13.9886 14.0148 14.4739 14.4829 14.5836 14.5899 15.0452 15.1390 k = 0.5977 0.0068 0.3636 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3024 -30.2954 -27.1656 -27.1544 -27.1442 -27.1337 -25.4411 -25.4214 -24.6221 -24.6145 -24.6056 -24.6034 3.8253 3.8525 8.5964 8.6086 9.1519 9.2202 9.7947 9.8341 10.9005 10.9595 11.5156 11.6018 11.6410 11.6560 12.2827 12.3620 12.6096 12.6263 13.9882 14.0141 14.4737 14.4842 14.5897 14.5944 14.9950 15.0906 k = 0.6016-0.0045 0.3700 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3024 -30.2954 -27.1658 -27.1547 -27.1443 -27.1336 -25.4411 -25.4212 -24.6222 -24.6144 -24.6057 -24.6034 3.8336 3.8611 8.6105 8.6165 9.1651 9.2441 9.8202 9.8611 10.8712 10.9295 11.5315 11.6185 11.6588 11.6750 12.2349 12.3155 12.5819 12.6015 13.9909 14.0160 14.4713 14.4836 14.5956 14.5984 14.9494 15.0468 k = 0.6055-0.0158 0.3764 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3025 -30.2955 -27.1659 -27.1549 -27.1444 -27.1335 -25.4410 -25.4211 -24.6222 -24.6142 -24.6059 -24.6034 3.8412 3.8688 8.6176 8.6181 9.1855 9.2743 9.8459 9.8882 10.8429 10.9006 11.5463 11.6328 11.6746 11.6925 12.1905 12.2715 12.5566 12.5791 13.9966 14.0208 14.4658 14.4800 14.6011 14.6018 14.9085 15.0080 k = 0.6094-0.0271 0.3827 ( 4535 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2955 -27.1660 -27.1552 -27.1445 -27.1334 -25.4409 -25.4210 -24.6222 -24.6141 -24.6061 -24.6034 3.8479 3.8755 8.6139 8.6178 9.2128 9.3102 9.8717 9.9152 10.8162 10.8736 11.5595 11.6438 11.6877 11.7080 12.1504 12.2307 12.5341 12.5593 14.0054 14.0283 14.4562 14.4726 14.6044 14.6062 14.8727 14.9742 k = 0.6133-0.0383 0.3891 ( 4539 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2955 -27.1660 -27.1554 -27.1447 -27.1334 -25.4408 -25.4210 -24.6222 -24.6139 -24.6063 -24.6035 3.8536 3.8811 8.6047 8.6115 9.2461 9.3505 9.8974 9.9421 10.7918 10.8492 11.5709 11.6503 11.6976 11.7213 12.1158 12.1939 12.5148 12.5424 14.0172 14.0386 14.4415 14.4600 14.6061 14.6103 14.8423 14.9453 k = 0.6172-0.0496 0.3955 ( 4537 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2956 -27.1659 -27.1556 -27.1448 -27.1334 -25.4406 -25.4210 -24.6222 -24.6138 -24.6065 -24.6035 3.8582 3.8856 8.5911 8.5998 9.2840 9.3942 9.9230 9.9687 10.7707 10.8281 11.5797 11.6511 11.7034 11.7319 12.0880 12.1622 12.4990 12.5284 14.0320 14.0516 14.4205 14.4407 14.6066 14.6133 14.8175 14.9212 k = 0.6211-0.0609 0.4019 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2956 -27.1658 -27.1558 -27.1449 -27.1335 -25.4405 -25.4210 -24.6221 -24.6136 -24.6066 -24.6035 3.8616 3.8887 8.5740 8.5835 9.3254 9.4400 9.9483 9.9948 10.7535 10.8109 11.5856 11.6451 11.7047 11.7397 12.0679 12.1364 12.4868 12.5175 14.0496 14.0672 14.3925 14.4136 14.6060 14.6146 14.7987 14.9004 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8815 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8814 k = 0.6184-0.0684 0.4190 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6221 -24.6135 -24.6068 -24.6036 3.8639 3.8907 8.5548 8.5648 9.3675 9.4855 9.9751 10.0223 10.7403 10.7978 11.5862 11.6319 11.7000 11.7451 12.0503 12.1087 12.4858 12.5173 14.0699 14.0854 14.3560 14.3772 14.6030 14.6133 14.7840 14.8813 k = 0.6118-0.0646 0.4297 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1656 -27.1561 -27.1450 -27.1334 -25.4404 -25.4210 -24.6221 -24.6135 -24.6068 -24.6036 3.8644 3.8912 8.5571 8.5684 9.3631 9.4821 9.9810 10.0285 10.7381 10.7955 11.5825 11.6320 11.6958 11.7461 12.0350 12.0851 12.5058 12.5390 14.0698 14.0855 14.3517 14.3732 14.5988 14.6103 14.7785 14.8799 k = 0.6053-0.0608 0.4405 ( 4532 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1656 -27.1563 -27.1450 -27.1333 -25.4404 -25.4210 -24.6221 -24.6135 -24.6068 -24.6036 3.8651 3.8921 8.5610 8.5744 9.3559 9.4767 9.9906 10.0386 10.7345 10.7918 11.5764 11.6318 11.6892 11.7475 12.0121 12.0514 12.5342 12.5721 14.0697 14.0856 14.3447 14.3667 14.5921 14.6050 14.7710 14.8752 k = 0.5987-0.0570 0.4512 ( 4532 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2956 -27.1655 -27.1565 -27.1450 -27.1332 -25.4405 -25.4209 -24.6222 -24.6134 -24.6067 -24.6036 3.8662 3.8934 8.5666 8.5825 9.3463 9.4694 10.0034 10.0521 10.7296 10.7866 11.5682 11.6310 11.6807 11.7488 11.9842 12.0121 12.5680 12.6128 14.0693 14.0857 14.3353 14.3581 14.5830 14.5968 14.7630 14.8675 k = 0.5921-0.0532 0.4620 ( 4544 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3026 -30.2956 -27.1655 -27.1568 -27.1451 -27.1330 -25.4406 -25.4207 -24.6223 -24.6134 -24.6067 -24.6036 3.8675 3.8950 8.5737 8.5928 9.3346 9.4608 10.0191 10.0685 10.7233 10.7801 11.5580 11.6291 11.6705 11.7498 11.9529 11.9713 12.6050 12.6581 14.0687 14.0857 14.3239 14.3480 14.5715 14.5858 14.7557 14.8587 k = 0.5855-0.0494 0.4727 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3027 -30.2956 -27.1654 -27.1571 -27.1451 -27.1328 -25.4406 -25.4206 -24.6224 -24.6134 -24.6066 -24.6036 3.8691 3.8968 8.5823 8.6051 9.3209 9.4510 10.0369 10.0873 10.7159 10.7722 11.5457 11.6257 11.6593 11.7501 11.9176 11.9340 12.6440 12.7058 14.0677 14.0855 14.3111 14.3369 14.5577 14.5721 14.7497 14.8500 k = 0.5789-0.0456 0.4835 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3027 -30.2956 -27.1653 -27.1575 -27.1451 -27.1326 -25.4407 -25.4205 -24.6225 -24.6134 -24.6065 -24.6037 3.8709 3.8989 8.5923 8.6194 9.3057 9.4405 10.0564 10.1080 10.7075 10.7631 11.5315 11.6199 11.6477 11.7494 11.8790 11.9030 12.6837 12.7544 14.0663 14.0850 14.2976 14.3256 14.5414 14.5562 14.7451 14.8423 k = 0.5724-0.0418 0.4942 ( 4543 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2955 -27.1652 -27.1579 -27.1451 -27.1323 -25.4409 -25.4203 -24.6226 -24.6133 -24.6064 -24.6037 3.8729 3.9013 8.6035 8.6356 9.2892 9.4295 10.0769 10.1298 10.6981 10.7528 11.5153 11.6106 11.6368 11.7468 11.8420 11.8766 12.7231 12.8028 14.0644 14.0841 14.2842 14.3147 14.5229 14.5384 14.7420 14.8357 k = 0.5658-0.0380 0.5049 ( 4537 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2955 -27.1651 -27.1583 -27.1451 -27.1321 -25.4410 -25.4201 -24.6227 -24.6133 -24.6063 -24.6037 3.8751 3.9038 8.6158 8.6536 9.2716 9.4182 10.0979 10.1522 10.6880 10.7416 11.4974 11.5973 11.6273 11.7405 11.8112 11.8538 12.7617 12.8502 14.0620 14.0827 14.2716 14.3048 14.5022 14.5192 14.7402 14.8306 k = 0.5592-0.0342 0.5157 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3028 -30.2954 -27.1649 -27.1588 -27.1452 -27.1318 -25.4411 -25.4200 -24.6228 -24.6133 -24.6062 -24.6037 3.8773 3.9064 8.6289 8.6732 9.2530 9.4069 10.1187 10.1747 10.6774 10.7295 11.4783 11.5809 11.6185 11.7277 11.7905 11.8348 12.7985 12.8959 14.0592 14.0811 14.2608 14.2966 14.4799 14.4988 14.7393 14.8268 k = 0.5526-0.0304 0.5264 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3029 -30.2954 -27.1648 -27.1592 -27.1452 -27.1316 -25.4412 -25.4198 -24.6229 -24.6132 -24.6062 -24.6038 3.8796 3.9090 8.6426 8.6942 9.2336 9.3957 10.1387 10.1967 10.6665 10.7169 11.4587 11.5629 11.6098 11.7088 11.7800 11.8193 12.8330 12.9390 14.0563 14.0794 14.2522 14.2902 14.4562 14.4772 14.7392 14.8243 k = 0.5461-0.0266 0.5372 ( 4545 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2954 -27.1646 -27.1597 -27.1452 -27.1314 -25.4413 -25.4196 -24.6230 -24.6132 -24.6061 -24.6038 3.8819 3.9117 8.6565 8.7164 9.2136 9.3848 10.1575 10.2176 10.6556 10.7039 11.4395 11.5446 11.6009 11.6884 11.7754 11.8069 12.8647 12.9791 14.0536 14.0781 14.2461 14.2859 14.4315 14.4548 14.7396 14.8231 k = 0.5395-0.0228 0.5479 ( 4543 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2954 -27.1644 -27.1601 -27.1452 -27.1312 -25.4414 -25.4195 -24.6231 -24.6132 -24.6060 -24.6038 3.8842 3.9142 8.6704 8.7395 9.1930 9.3745 10.1744 10.2368 10.6451 10.6909 11.4216 11.5271 11.5919 11.6695 11.7733 11.7972 12.8929 13.0152 14.0517 14.0778 14.2425 14.2836 14.4063 14.4316 14.7405 14.8229 k = 0.5329-0.0190 0.5587 ( 4537 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1643 -27.1605 -27.1452 -27.1311 -25.4415 -25.4194 -24.6232 -24.6132 -24.6059 -24.6038 3.8863 3.9166 8.6837 8.7629 9.1722 9.3648 10.1892 10.2538 10.6352 10.6784 11.4060 11.5118 11.5830 11.6530 11.7724 11.7896 12.9173 13.0468 14.0511 14.0790 14.2412 14.2833 14.3810 14.4082 14.7416 14.8237 k = 0.5263-0.0152 0.5694 ( 4534 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1641 -27.1609 -27.1452 -27.1309 -25.4415 -25.4192 -24.6232 -24.6132 -24.6058 -24.6039 3.8882 3.9188 8.6959 8.7860 9.1518 9.3560 10.2014 10.2682 10.6262 10.6668 11.3933 11.4996 11.5746 11.6389 11.7720 11.7839 12.9375 13.0733 14.0522 14.0819 14.2417 14.2845 14.3565 14.3851 14.7428 14.8249 k = 0.5197-0.0114 0.5801 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3031 -30.2953 -27.1639 -27.1613 -27.1452 -27.1308 -25.4416 -25.4191 -24.6233 -24.6132 -24.6057 -24.6039 3.8898 3.9206 8.7066 8.8076 9.1325 9.3484 10.2108 10.2796 10.6186 10.6568 11.3839 11.4910 11.5671 11.6273 11.7719 11.7795 12.9533 13.0941 14.0553 14.0864 14.2433 14.2867 14.3339 14.3632 14.7439 14.8259 k = 0.5132-0.0076 0.5909 ( 4542 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1638 -27.1615 -27.1453 -27.1307 -25.4416 -25.4191 -24.6233 -24.6132 -24.6057 -24.6039 3.8911 3.9221 8.7150 8.8262 9.1158 9.3425 10.2174 10.2877 10.6126 10.6489 11.3780 11.4860 11.5608 11.6183 11.7721 11.7764 12.9644 13.1090 14.0597 14.0918 14.2448 14.2891 14.3154 14.3441 14.7448 14.8254 k = 0.5066-0.0038 0.6016 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1617 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6057 -24.6039 3.8920 3.9230 8.7205 8.8393 9.1038 9.3386 10.2212 10.2926 10.6087 10.6438 11.3750 11.4840 11.5564 11.6123 11.7724 11.7743 12.9710 13.1178 14.0641 14.0968 14.2451 14.2897 14.3047 14.3305 14.7453 14.8239 k = 0.5000 0.0000 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1618 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6056 -24.6039 3.8922 3.9233 8.7224 8.8443 9.0994 9.3372 10.2224 10.2941 10.6073 10.6421 11.3743 11.4837 11.5547 11.6101 11.7726 11.7735 12.9731 13.1207 14.0662 14.0991 14.2444 14.2889 14.3019 14.3259 14.7455 14.8232 k = 0.5000 0.0000 0.6124 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1618 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6056 -24.6039 3.8922 3.9233 8.7224 8.8443 9.0994 9.3372 10.2224 10.2941 10.6073 10.6421 11.3743 11.4837 11.5547 11.6101 11.7726 11.7735 12.9731 13.1207 14.0662 14.0991 14.2444 14.2889 14.3019 14.3259 14.7455 14.8232 k = 0.5000 0.0078 0.6013 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2953 -27.1637 -27.1617 -27.1452 -27.1307 -25.4417 -25.4190 -24.6234 -24.6132 -24.6056 -24.6039 3.8918 3.9228 8.7227 8.8446 9.0966 9.3341 10.2187 10.2898 10.6102 10.6457 11.3767 11.4859 11.5573 11.6128 11.7721 11.7743 12.9710 13.1178 14.0636 14.0969 14.2456 14.2898 14.3065 14.3332 14.7454 14.8251 k = 0.5000 0.0156 0.5903 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3032 -30.2952 -27.1639 -27.1614 -27.1452 -27.1307 -25.4417 -25.4191 -24.6234 -24.6132 -24.6056 -24.6039 3.8903 3.9213 8.7235 8.8456 9.0884 9.3249 10.2079 10.2771 10.6187 10.6562 11.3834 11.4914 11.5650 11.6216 11.7711 11.7761 12.9647 13.1094 14.0566 14.0908 14.2491 14.2917 14.3228 14.3516 14.7455 14.8271 k = 0.5000 0.0234 0.5793 ( 4540 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3031 -30.2952 -27.1642 -27.1610 -27.1452 -27.1308 -25.4417 -25.4191 -24.6233 -24.6133 -24.6056 -24.6039 3.8878 3.9188 8.7246 8.8467 9.0755 9.3104 10.1906 10.2570 10.6327 10.6728 11.3924 11.4980 11.5781 11.6384 11.7696 11.7796 12.9548 13.0960 14.0472 14.0822 14.2546 14.2959 14.3488 14.3769 14.7463 14.8277 k = 0.5000 0.0312 0.5682 ( 4546 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3031 -30.2953 -27.1644 -27.1605 -27.1452 -27.1309 -25.4417 -25.4192 -24.6233 -24.6133 -24.6055 -24.6039 3.8844 3.9153 8.7257 8.8474 9.0591 9.2912 10.1675 10.2307 10.6518 10.6946 11.4014 11.5034 11.5955 11.6656 11.7675 11.7861 12.9419 13.0786 14.0373 14.0726 14.2618 14.3027 14.3809 14.4064 14.7488 14.8299 k = 0.5000 0.0390 0.5572 ( 4544 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3031 -30.2953 -27.1646 -27.1601 -27.1451 -27.1310 -25.4417 -25.4193 -24.6232 -24.6134 -24.6055 -24.6039 3.8801 3.9108 8.7265 8.8464 9.0411 9.2685 10.1397 10.1996 10.6754 10.7207 11.4085 11.5064 11.6150 11.7035 11.7645 11.7976 12.9267 13.0582 14.0279 14.0632 14.2705 14.3118 14.4162 14.4379 14.7538 14.8356 k = 0.5000 0.0468 0.5462 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2952 -27.1648 -27.1595 -27.1450 -27.1311 -25.4417 -25.4195 -24.6232 -24.6135 -24.6054 -24.6039 3.8749 3.9054 8.7264 8.8418 9.0239 9.2438 10.1082 10.1648 10.7028 10.7502 11.4129 11.5069 11.6335 11.7503 11.7612 11.8174 12.9103 13.0360 14.0199 14.0546 14.2802 14.3225 14.4519 14.4692 14.7625 14.8461 k = 0.5000 0.0546 0.5351 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3030 -30.2952 -27.1650 -27.1590 -27.1449 -27.1312 -25.4417 -25.4196 -24.6231 -24.6136 -24.6053 -24.6039 3.8689 3.8992 8.7247 8.8312 9.0106 9.2184 10.0740 10.1275 10.7330 10.7823 11.4145 11.5051 11.6471 11.7547 11.8067 11.8480 12.8935 13.0132 14.0133 14.0473 14.2906 14.3340 14.4853 14.4985 14.7765 14.8625 k = 0.5000 0.0624 0.5241 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3029 -30.2952 -27.1651 -27.1584 -27.1448 -27.1314 -25.4417 -25.4198 -24.6230 -24.6138 -24.6052 -24.6039 3.8621 3.8921 8.7205 8.8127 9.0038 9.1940 10.0379 10.0887 10.7654 10.8162 11.4138 11.5017 11.6539 11.7478 11.8678 11.8899 12.8773 12.9908 14.0085 14.0415 14.3012 14.3459 14.5141 14.5242 14.7971 14.8859 k = 0.5000 0.0702 0.5131 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3029 -30.2952 -27.1652 -27.1579 -27.1447 -27.1316 -25.4417 -25.4200 -24.6229 -24.6139 -24.6051 -24.6039 3.8546 3.8843 8.7129 8.7862 9.0040 9.1721 10.0006 10.0489 10.7992 10.8512 11.4113 11.4969 11.6546 11.7392 11.9334 11.9415 12.8626 12.9699 14.0054 14.0375 14.3117 14.3578 14.5367 14.5453 14.8256 14.9166 k = 0.5000 0.0780 0.5020 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3028 -30.2952 -27.1652 -27.1573 -27.1446 -27.1319 -25.4417 -25.4203 -24.6228 -24.6141 -24.6050 -24.6039 3.8464 3.8757 8.7009 8.7535 9.0101 9.1542 9.9628 10.0089 10.8336 10.8867 11.4073 11.4910 11.6502 11.7286 11.9993 12.0030 12.8500 12.9512 14.0041 14.0352 14.3219 14.3691 14.5528 14.5613 14.8623 14.9546 k = 0.5000 0.0858 0.4910 ( 4540 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3027 -30.2952 -27.1651 -27.1568 -27.1445 -27.1321 -25.4417 -25.4205 -24.6227 -24.6142 -24.6049 -24.6039 3.8376 3.8665 8.6840 8.7162 9.0207 9.1413 9.9249 9.9691 10.8682 10.9221 11.4023 11.4842 11.6419 11.7160 12.0626 12.0742 12.8403 12.9355 14.0045 14.0347 14.3315 14.3798 14.5635 14.5723 14.9064 14.9993 k = 0.5000 0.0936 0.4800 ( 4532 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3026 -30.2952 -27.1650 -27.1562 -27.1444 -27.1324 -25.4416 -25.4208 -24.6226 -24.6144 -24.6048 -24.6038 3.8283 3.8567 8.6620 8.6762 9.0345 9.1340 9.8874 9.9299 10.9024 10.9569 11.3965 11.4767 11.6306 11.7013 12.1289 12.1471 12.8339 12.9233 14.0067 14.0360 14.3404 14.3896 14.5699 14.5791 14.9571 15.0501 k = 0.5000 0.1014 0.4689 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3024 -30.2952 -27.1649 -27.1556 -27.1442 -27.1327 -25.4416 -25.4211 -24.6224 -24.6146 -24.6047 -24.6038 3.8185 3.8464 8.6341 8.6357 9.0505 9.1322 9.8507 9.8915 10.9356 10.9908 11.3901 11.4687 11.6166 11.6846 12.1970 12.2207 12.8312 12.9149 14.0105 14.0392 14.3485 14.3984 14.5732 14.5825 15.0134 15.1063 k = 0.5000 0.1092 0.4579 ( 4536 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3023 -30.2953 -27.1647 -27.1551 -27.1441 -27.1331 -25.4416 -25.4215 -24.6223 -24.6147 -24.6046 -24.6038 3.8084 3.8357 8.5919 8.6047 9.0683 9.1355 9.8149 9.8542 10.9676 11.0233 11.3834 11.4601 11.6006 11.6658 12.2662 12.2945 12.8323 12.9106 14.0159 14.0440 14.3559 14.4062 14.5741 14.5836 15.0746 15.1671 k = 0.5000 0.1170 0.4469 ( 4536 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3022 -30.2953 -27.1645 -27.1546 -27.1440 -27.1334 -25.4415 -25.4218 -24.6221 -24.6149 -24.6045 -24.6038 3.7980 3.8247 8.5491 8.5708 9.0873 9.1431 9.7802 9.8181 10.9980 11.0541 11.3765 11.4512 11.5828 11.6453 12.3356 12.3679 12.8372 12.9104 14.0230 14.0506 14.3624 14.4130 14.5733 14.5828 15.1402 15.2322 k = 0.5000 0.1248 0.4358 ( 4534 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3021 -30.2953 -27.1642 -27.1540 -27.1439 -27.1338 -25.4414 -25.4222 -24.6220 -24.6151 -24.6044 -24.6038 3.7874 3.8134 8.5067 8.5348 9.1072 9.1541 9.7470 9.7835 11.0265 11.0830 11.3696 11.4419 11.5636 11.6233 12.4046 12.4402 12.8459 12.9142 14.0316 14.0589 14.3681 14.4187 14.5712 14.5808 15.2099 15.3011 k = 0.5000 0.1326 0.4248 ( 4536 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3019 -30.2953 -27.1638 -27.1535 -27.1437 -27.1342 -25.4413 -25.4226 -24.6218 -24.6152 -24.6043 -24.6038 3.7767 3.8019 8.4649 8.4975 9.1277 9.1678 9.7152 9.7503 11.0528 11.1097 11.3629 11.4323 11.5435 11.6001 12.4727 12.5111 12.8581 12.9218 14.0418 14.0688 14.3732 14.4235 14.5683 14.5778 15.2832 15.3734 k = 0.5000 0.1404 0.4138 ( 4546 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3018 -30.2954 -27.1635 -27.1530 -27.1436 -27.1347 -25.4412 -25.4231 -24.6217 -24.6154 -24.6043 -24.6038 3.7659 3.7903 8.4240 8.4596 9.1486 9.1834 9.6850 9.7188 11.0769 11.1339 11.3566 11.4226 11.5230 11.5761 12.5394 12.5802 12.8735 12.9330 14.0535 14.0802 14.3775 14.4272 14.5647 14.5741 15.3599 15.4488 k = 0.5000 0.1482 0.4027 ( 4546 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0645 -30.3016 -30.2955 -27.1630 -27.1525 -27.1435 -27.1352 -25.4410 -25.4236 -24.6215 -24.6156 -24.6042 -24.6038 3.7552 3.7787 8.3844 8.4216 9.1696 9.2005 9.6565 9.6889 11.0985 11.1555 11.3511 11.4127 11.5023 11.5518 12.6045 12.6471 12.8918 12.9472 14.0667 14.0931 14.3812 14.4300 14.5607 14.5701 15.4398 15.5269 k = 0.5000 0.1560 0.3917 ( 4536 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3014 -30.2955 -27.1625 -27.1520 -27.1434 -27.1356 -25.4409 -25.4240 -24.6213 -24.6157 -24.6041 -24.6038 3.7446 3.7671 8.3463 8.3841 9.1905 9.2183 9.6298 9.6606 11.1174 11.1740 11.3466 11.4027 11.4819 11.5274 12.6674 12.7114 12.9124 12.9643 14.0814 14.1075 14.3843 14.4318 14.5565 14.5659 15.5223 15.6073 k = 0.5000 0.1638 0.3807 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3013 -30.2956 -27.1620 -27.1516 -27.1433 -27.1361 -25.4407 -25.4245 -24.6211 -24.6159 -24.6041 -24.6038 3.7342 3.7557 8.3097 8.3475 9.2112 9.2366 9.6048 9.6341 11.1337 11.1894 11.3435 11.3926 11.4623 11.5036 12.7278 12.7728 12.9351 12.9835 14.0974 14.1231 14.3867 14.4327 14.5522 14.5616 15.6073 15.6895 k = 0.5000 0.1716 0.3696 ( 4538 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3011 -30.2956 -27.1614 -27.1511 -27.1432 -27.1367 -25.4404 -25.4251 -24.6210 -24.6161 -24.6040 -24.6038 3.7240 3.7445 8.2749 8.3120 9.2314 9.2548 9.5817 9.6094 11.1471 11.2012 11.3420 11.3823 11.4437 11.4809 12.7856 12.8311 12.9592 13.0045 14.1147 14.1400 14.3886 14.4326 14.5479 14.5575 15.6943 15.7732 k = 0.5000 0.1794 0.3586 ( 4536 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3009 -30.2957 -27.1608 -27.1507 -27.1432 -27.1372 -25.4402 -25.4256 -24.6208 -24.6162 -24.6040 -24.6037 3.7142 3.7336 8.2420 8.2779 9.2510 9.2726 9.5605 9.5864 11.1577 11.2092 11.3425 11.3721 11.4261 11.4600 12.8404 12.8861 12.9844 13.0269 14.1333 14.1579 14.3900 14.4316 14.5437 14.5536 15.7829 15.8579 k = 0.5000 0.1872 0.3476 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3007 -30.2958 -27.1602 -27.1503 -27.1431 -27.1378 -25.4399 -25.4262 -24.6206 -24.6164 -24.6039 -24.6037 3.7048 3.7230 8.2112 8.2454 9.2698 9.2898 9.5412 9.5652 11.1656 11.2137 11.3447 11.3618 11.4093 11.4418 12.8921 12.9374 13.0102 13.0500 14.1530 14.1768 14.3908 14.4298 14.5398 14.5501 15.8726 15.9431 k = 0.5000 0.1951 0.3365 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3005 -30.2959 -27.1595 -27.1499 -27.1431 -27.1384 -25.4396 -25.4268 -24.6204 -24.6165 -24.6039 -24.6037 3.6959 3.7129 8.1824 8.2148 9.2875 9.3060 9.5238 9.5459 11.1708 11.2148 11.3484 11.3517 11.3929 11.4272 12.9403 12.9849 13.0362 13.0735 14.1736 14.1964 14.3910 14.4271 14.5361 14.5469 15.9631 16.0283 k = 0.5000 0.2029 0.3255 ( 4526 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3003 -30.2960 -27.1587 -27.1495 -27.1430 -27.1390 -25.4393 -25.4273 -24.6202 -24.6167 -24.6038 -24.6037 3.6876 3.7033 8.1558 8.1861 9.3040 9.3211 9.5085 9.5284 11.1738 11.2132 11.3417 11.3527 11.3772 11.4165 12.9850 13.0285 13.0621 13.0970 14.1949 14.2166 14.3908 14.4237 14.5326 14.5440 16.0537 16.1132 k = 0.5000 0.2107 0.3145 ( 4524 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.3000 -30.2961 -27.1580 -27.1492 -27.1430 -27.1396 -25.4389 -25.4279 -24.6200 -24.6168 -24.6038 -24.6037 3.6798 3.6942 8.1314 8.1594 9.3192 9.3347 9.4953 9.5128 11.1749 11.2095 11.3323 11.3536 11.3658 11.4093 13.0260 13.0678 13.0876 13.1200 14.2168 14.2371 14.3901 14.4198 14.5295 14.5413 16.1441 16.1971 k = 0.5000 0.2185 0.3034 ( 4534 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.2998 -30.2963 -27.1573 -27.1489 -27.1430 -27.1403 -25.4386 -25.4286 -24.6199 -24.6170 -24.6038 -24.6037 3.6726 3.6857 8.1094 8.1349 9.3326 9.3466 9.4843 9.4991 11.1745 11.2043 11.3234 11.3428 11.3673 11.4047 13.0632 13.1018 13.1133 13.1421 14.2388 14.2576 14.3892 14.4155 14.5265 14.5387 16.2337 16.2796 k = 0.5000 0.2263 0.2924 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0644 -30.2996 -30.2964 -27.1565 -27.1487 -27.1431 -27.1409 -25.4382 -25.4292 -24.6197 -24.6171 -24.6038 -24.6037 3.6662 3.6779 8.0897 8.1126 9.3443 9.3567 9.4754 9.4876 11.1731 11.1983 11.3151 11.3298 11.3722 11.4019 13.0965 13.1290 13.1403 13.1630 14.2608 14.2778 14.3880 14.4111 14.5237 14.5360 16.3218 16.3601 k = 0.5000 0.2341 0.2814 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2994 -30.2966 -27.1557 -27.1485 -27.1431 -27.1415 -25.4377 -25.4298 -24.6195 -24.6173 -24.6037 -24.6037 3.6605 3.6708 8.0724 8.0926 9.3539 9.3648 9.4688 9.4781 11.1712 11.1920 11.3075 11.3178 11.3772 11.4005 13.1258 13.1511 13.1667 13.1824 14.2822 14.2973 14.3869 14.4066 14.5210 14.5332 16.4077 16.4381 k = 0.5000 0.2419 0.2703 ( 4534 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2992 -30.2968 -27.1549 -27.1484 -27.1432 -27.1420 -25.4373 -25.4304 -24.6193 -24.6174 -24.6037 -24.6037 3.6556 3.6645 8.0575 8.0750 9.3614 9.3709 9.4643 9.4708 11.1689 11.1858 11.3007 11.3074 11.3818 11.3999 13.1511 13.1702 13.1900 13.1999 14.3025 14.3155 14.3862 14.4025 14.5183 14.5300 16.4907 16.5128 k = 0.5000 0.2497 0.2593 ( 4536 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2990 -30.2969 -27.1541 -27.1484 -27.1432 -27.1425 -25.4368 -25.4310 -24.6191 -24.6176 -24.6037 -24.6037 3.6515 3.6590 8.0452 8.0598 9.3669 9.3750 9.4616 9.4657 11.1667 11.1801 11.2947 11.2987 11.3860 11.3998 13.1726 13.1867 13.2097 13.2154 14.3212 14.3318 14.3860 14.3988 14.5157 14.5266 16.5694 16.5839 k = 0.5000 0.2575 0.2483 ( 4536 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2988 -30.2971 -27.1533 -27.1486 -27.1433 -27.1429 -25.4363 -25.4317 -24.6190 -24.6177 -24.6037 -24.6037 3.6483 3.6542 8.0353 8.0471 9.3706 9.3773 9.4603 9.4625 11.1648 11.1750 11.2896 11.2917 11.3896 11.3998 13.1901 13.2003 13.2256 13.2285 14.3374 14.3452 14.3871 14.3961 14.5131 14.5228 16.6409 16.6514 k = 0.5000 0.2653 0.2372 ( 4538 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2985 -30.2973 -27.1525 -27.1488 -27.1434 -27.1432 -25.4358 -25.4323 -24.6188 -24.6179 -24.6037 -24.6037 3.6459 3.6504 8.0279 8.0368 9.3730 9.3783 9.4599 9.4609 11.1633 11.1707 11.2855 11.2863 11.3926 11.3998 13.2038 13.2109 13.2378 13.2390 14.3503 14.3550 14.3897 14.3947 14.5109 14.5188 16.7020 16.7146 k = 0.5000 0.2731 0.2262 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2983 -30.2975 -27.1517 -27.1492 -27.1434 -27.1434 -25.4352 -25.4329 -24.6186 -24.6180 -24.6037 -24.6037 3.6444 3.6474 8.0231 8.0290 9.3746 9.3783 9.4600 9.4602 11.1625 11.1672 11.2824 11.2826 11.3950 11.3996 13.2138 13.2184 13.2464 13.2468 14.3587 14.3610 14.3934 14.3952 14.5092 14.5150 16.7519 16.7669 k = 0.5000 0.2809 0.2152 ( 4518 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2981 -30.2976 -27.1510 -27.1497 -27.1434 -27.1434 -25.4347 -25.4335 -24.6185 -24.6182 -24.6037 -24.6037 3.6438 3.6453 8.0207 8.0237 9.3759 9.3777 9.4601 9.4601 11.1624 11.1647 11.2804 11.2805 11.3969 11.3992 13.2203 13.2225 13.2515 13.2515 14.3630 14.3639 14.3965 14.3967 14.5087 14.5117 16.7882 16.7994 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1503 -27.1503 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6441 3.6441 8.0210 8.0210 9.3769 9.3769 9.4601 9.4601 11.1631 11.1631 11.2798 11.2798 11.3983 11.3983 13.2231 13.2231 13.2532 13.2532 14.3645 14.3645 14.3976 14.3976 14.5095 14.5095 16.8060 16.8060 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2978 -30.2978 -27.1503 -27.1503 -27.1434 -27.1434 -25.4341 -25.4341 -24.6183 -24.6183 -24.6037 -24.6037 3.6441 3.6441 8.0210 8.0210 9.3769 9.3769 9.4601 9.4601 11.1631 11.1631 11.2798 11.2798 11.3983 11.3983 13.2231 13.2231 13.2532 13.2532 14.3645 14.3645 14.3976 14.3976 14.5095 14.5095 16.8060 16.8060 k = 0.4961 0.2864 0.2169 ( 4519 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2981 -30.2976 -27.1510 -27.1497 -27.1434 -27.1434 -25.4347 -25.4335 -24.6185 -24.6182 -24.6037 -24.6037 3.6438 3.6453 8.0207 8.0237 9.3758 9.3777 9.4601 9.4601 11.1624 11.1647 11.2804 11.2804 11.3969 11.3992 13.2203 13.2225 13.2515 13.2515 14.3630 14.3639 14.3966 14.3966 14.5087 14.5117 16.7882 16.7994 k = 0.4922 0.2842 0.2296 ( 4534 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2983 -30.2975 -27.1517 -27.1492 -27.1434 -27.1434 -25.4352 -25.4329 -24.6186 -24.6180 -24.6037 -24.6037 3.6444 3.6474 8.0231 8.0290 9.3746 9.3783 9.4600 9.4602 11.1625 11.1673 11.2825 11.2825 11.3950 11.3996 13.2138 13.2184 13.2465 13.2466 14.3590 14.3606 14.3942 14.3944 14.5093 14.5150 16.7519 16.7666 k = 0.4883 0.2819 0.2424 ( 4536 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2985 -30.2973 -27.1525 -27.1488 -27.1434 -27.1432 -25.4358 -25.4323 -24.6188 -24.6179 -24.6037 -24.6037 3.6459 3.6504 8.0279 8.0368 9.3730 9.3783 9.4602 9.4606 11.1633 11.1707 11.2859 11.2860 11.3926 11.3998 13.2038 13.2108 13.2382 13.2385 14.3516 14.3532 14.3922 14.3926 14.5109 14.5188 16.7026 16.7130 k = 0.4844 0.2797 0.2552 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2987 -30.2971 -27.1533 -27.1485 -27.1433 -27.1429 -25.4363 -25.4317 -24.6190 -24.6177 -24.6037 -24.6037 3.6483 3.6543 8.0353 8.0471 9.3707 9.3772 9.4609 9.4619 11.1648 11.1750 11.2906 11.2908 11.3896 11.3998 13.1902 13.2000 13.2266 13.2274 14.3403 14.3413 14.3919 14.3922 14.5131 14.5228 16.6441 16.6460 k = 0.4805 0.2774 0.2679 ( 4535 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2990 -30.2969 -27.1541 -27.1484 -27.1432 -27.1425 -25.4368 -25.4310 -24.6192 -24.6176 -24.6037 -24.6037 3.6515 3.6590 8.0452 8.0599 9.3673 9.3745 9.4626 9.4646 11.1667 11.1802 11.2966 11.2970 11.3860 11.3998 13.1729 13.1859 13.2117 13.2132 14.3255 14.3257 14.3933 14.3934 14.5156 14.5266 16.5705 16.5787 k = 0.4766 0.2751 0.2807 ( 4535 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2992 -30.2968 -27.1549 -27.1484 -27.1432 -27.1420 -25.4373 -25.4304 -24.6193 -24.6174 -24.6037 -24.6037 3.6556 3.6646 8.0576 8.0752 9.3625 9.3700 9.4657 9.4691 11.1689 11.1860 11.3038 11.3045 11.3819 11.3998 13.1520 13.1686 13.1937 13.1963 14.3067 14.3085 14.3957 14.3958 14.5181 14.5300 16.4892 16.5075 k = 0.4727 0.2729 0.2934 ( 4537 PWs) bands (ev): -57.6626 -57.6626 -51.0644 -51.0644 -30.2994 -30.2966 -27.1557 -27.1485 -27.1431 -27.1415 -25.4377 -25.4298 -24.6195 -24.6173 -24.6038 -24.6037 3.6606 3.6709 8.0725 8.0928 9.3560 9.3633 9.4704 9.4757 11.1710 11.1925 11.3123 11.3132 11.3774 11.4003 13.1276 13.1480 13.1728 13.1766 14.2860 14.2896 14.3989 14.3992 14.5204 14.5331 16.4038 16.4318 k = 0.4688 0.2706 0.3062 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0644 -30.2996 -30.2964 -27.1565 -27.1487 -27.1430 -27.1409 -25.4382 -25.4292 -24.6197 -24.6171 -24.6038 -24.6037 3.6663 3.6780 8.0898 8.1128 9.3478 9.3546 9.4770 9.4843 11.1727 11.1992 11.3218 11.3231 11.3727 11.4015 13.0996 13.1242 13.1493 13.1545 14.2638 14.2693 14.4028 14.4031 14.5226 14.5358 16.3153 16.3522 k = 0.4648 0.2684 0.3189 ( 4532 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.2998 -30.2963 -27.1573 -27.1489 -27.1430 -27.1403 -25.4386 -25.4286 -24.6199 -24.6170 -24.6038 -24.6037 3.6727 3.6858 8.1095 8.1351 9.3379 9.3439 9.4855 9.4949 11.1736 11.2060 11.3325 11.3338 11.3685 11.4037 13.0681 13.0968 13.1237 13.1300 14.2407 14.2482 14.4071 14.4075 14.5247 14.5382 16.2247 16.2698 k = 0.4609 0.2661 0.3317 ( 4526 PWs) bands (ev): -57.6626 -57.6626 -51.0645 -51.0645 -30.3000 -30.2961 -27.1580 -27.1492 -27.1430 -27.1397 -25.4389 -25.4279 -24.6200 -24.6168 -24.6039 -24.6036 3.6799 3.6943 8.1315 8.1597 9.3265 9.3316 9.4957 9.5072 11.1732 11.2122 11.3438 11.3440 11.3664 11.4074 13.0332 13.0659 13.0963 13.1035 14.2171 14.2267 14.4119 14.4122 14.5268 14.5405 16.1329 16.1852 k = 0.4570 0.2639 0.3445 ( 4529 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3003 -30.2960 -27.1588 -27.1495 -27.1430 -27.1391 -25.4393 -25.4273 -24.6202 -24.6167 -24.6039 -24.6036 3.6877 3.7034 8.1558 8.1863 9.3139 9.3179 9.5076 9.5213 11.1712 11.2172 11.3491 11.3565 11.3711 11.4129 12.9951 13.0315 13.0675 13.0751 14.1933 14.2050 14.4171 14.4171 14.5289 14.5427 16.0407 16.0993 k = 0.4531 0.2616 0.3572 ( 4533 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3005 -30.2959 -27.1595 -27.1498 -27.1430 -27.1385 -25.4396 -25.4268 -24.6204 -24.6165 -24.6040 -24.6036 3.6960 3.7130 8.1823 8.2150 9.3003 9.3029 9.5211 9.5368 11.1671 11.2199 11.3497 11.3696 11.3833 11.4207 12.9539 12.9938 13.0375 13.0450 14.1698 14.1834 14.4222 14.4224 14.5312 14.5449 15.9488 16.0128 k = 0.4492 0.2594 0.3700 ( 4531 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3007 -30.2958 -27.1602 -27.1501 -27.1430 -27.1380 -25.4399 -25.4262 -24.6206 -24.6164 -24.6041 -24.6036 3.7050 3.7231 8.2108 8.2455 9.2859 9.2870 9.5360 9.5538 11.1605 11.2194 11.3508 11.3835 11.3987 11.4308 12.9100 12.9531 13.0065 13.0135 14.1466 14.1622 14.4274 14.4280 14.5336 14.5472 15.8578 15.9265 k = 0.4453 0.2571 0.3827 ( 4540 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3009 -30.2958 -27.1609 -27.1505 -27.1431 -27.1374 -25.4402 -25.4257 -24.6208 -24.6162 -24.6041 -24.6036 3.7143 3.7336 8.2412 8.2776 9.2704 9.2711 9.5522 9.5720 11.1513 11.2146 11.3546 11.3982 11.4159 11.4432 12.8634 12.9098 12.9746 12.9808 14.1242 14.1417 14.4327 14.4336 14.5364 14.5497 15.7683 15.8411 k = 0.4414 0.2548 0.3955 ( 4536 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3011 -30.2957 -27.1615 -27.1509 -27.1431 -27.1369 -25.4404 -25.4251 -24.6209 -24.6161 -24.6042 -24.6036 3.7241 3.7445 8.2734 8.3113 9.2533 9.2562 9.5697 9.5915 11.1395 11.2054 11.3615 11.4137 11.4342 11.4578 12.8146 12.8641 12.9419 12.9472 14.1028 14.1219 14.4379 14.4394 14.5395 14.5525 15.6810 15.7572 k = 0.4375 0.2526 0.4082 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3012 -30.2956 -27.1621 -27.1512 -27.1432 -27.1364 -25.4406 -25.4246 -24.6211 -24.6159 -24.6043 -24.6035 3.7342 3.7556 8.3072 8.3460 9.2360 9.2415 9.5884 9.6121 11.1249 11.1920 11.3714 11.4300 11.4536 11.4742 12.7638 12.8166 12.9087 12.9127 14.0825 14.1032 14.4431 14.4451 14.5429 14.5556 15.5961 15.6753 k = 0.4336 0.2503 0.4210 ( 4534 PWs) bands (ev): -57.6625 -57.6625 -51.0645 -51.0645 -30.3014 -30.2955 -27.1627 -27.1516 -27.1433 -27.1360 -25.4408 -25.4241 -24.6212 -24.6158 -24.6044 -24.6035 3.7446 3.7669 8.3421 8.3815 9.2188 9.2275 9.6081 9.6337 11.1077 11.1749 11.3837 11.4473 11.4737 11.4921 12.7115 12.7674 12.8753 12.8778 14.0636 14.0857 14.4483 14.4508 14.5468 14.5591 15.5143 15.5960 k = 0.4297 0.2481 0.4338 ( 4545 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0645 -30.3016 -30.2955 -27.1633 -27.1520 -27.1434 -27.1356 -25.4409 -25.4237 -24.6214 -24.6156 -24.6045 -24.6035 3.7551 3.7783 8.3780 8.4173 9.2021 9.2147 9.6288 9.6563 11.0879 11.1546 11.3978 11.4655 11.4944 11.5112 12.6579 12.7171 12.8418 12.8425 14.0463 14.0697 14.4533 14.4565 14.5511 14.5628 15.4356 15.5196 k = 0.4258 0.2458 0.4465 ( 4543 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3017 -30.2955 -27.1637 -27.1524 -27.1435 -27.1352 -25.4410 -25.4232 -24.6215 -24.6155 -24.6047 -24.6035 3.7657 3.7897 8.4143 8.4528 9.1863 9.2036 9.6505 9.6798 11.0659 11.1316 11.4133 11.4844 11.5157 11.5312 12.6034 12.6660 12.8072 12.8084 14.0309 14.0554 14.4581 14.4619 14.5557 14.5669 15.3606 15.4465 k = 0.4219 0.2436 0.4593 ( 4543 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3019 -30.2954 -27.1642 -27.1527 -27.1436 -27.1349 -25.4411 -25.4229 -24.6217 -24.6153 -24.6048 -24.6034 3.7762 3.8010 8.4505 8.4872 9.1720 9.1950 9.6730 9.7041 11.0418 11.1063 11.4297 11.5040 11.5372 11.5519 12.5485 12.6143 12.7721 12.7754 14.0176 14.0429 14.4625 14.4672 14.5608 14.5712 15.2893 15.3769 k = 0.4180 0.2413 0.4720 ( 4539 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3020 -30.2954 -27.1646 -27.1531 -27.1437 -27.1346 -25.4412 -25.4225 -24.6218 -24.6152 -24.6049 -24.6034 3.7867 3.8121 8.4857 8.5196 9.1599 9.1897 9.6962 9.7291 11.0158 11.0790 11.4468 11.5240 11.5588 11.5729 12.4936 12.5626 12.7375 12.7432 14.0065 14.0324 14.4666 14.4721 14.5661 14.5758 15.2220 15.3112 k = 0.4141 0.2391 0.4848 ( 4539 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3021 -30.2954 -27.1649 -27.1534 -27.1438 -27.1343 -25.4412 -25.4222 -24.6219 -24.6150 -24.6051 -24.6034 3.7969 3.8230 8.5191 8.5491 9.1508 9.1887 9.7201 9.7546 10.9883 11.0503 11.4642 11.5442 11.5802 11.5942 12.4391 12.5111 12.7036 12.7118 13.9978 14.0241 14.4700 14.4765 14.5718 14.5805 15.1588 15.2495 k = 0.4102 0.2368 0.4976 ( 4535 PWs) bands (ev): -57.6624 -57.6624 -51.0646 -51.0646 -30.3022 -30.2954 -27.1652 -27.1538 -27.1439 -27.1340 -25.4412 -25.4219 -24.6220 -24.6148 -24.6052 -24.6034 3.8068 3.8334 8.5496 8.5744 9.1457 9.1929 9.7445 9.7807 10.9596 11.0205 11.4816 11.5641 11.6013 11.6153 12.3855 12.4603 12.6708 12.6817 13.9918 14.0182 14.4725 14.4802 14.5776 14.5853 15.0998 15.1921 k = 0.4062 0.2345 0.5103 ( 4528 PWs) bands (ev): -57.6624 -57.6623 -51.0646 -51.0646 -30.3023 -30.2954 -27.1654 -27.1541 -27.1440 -27.1338 -25.4412 -25.4216 -24.6221 -24.6147 -24.6054 -24.6034 3.8163 3.8433 8.5758 8.5945 9.1457 9.2032 9.7694 9.8072 10.9302 10.9900 11.4989 11.5835 11.6217 11.6360 12.3331 12.4104 12.6393 12.6531 13.9886 14.0148 14.4739 14.4829 14.5836 14.5899 15.0452 15.1390 k = 0.4023 0.2323 0.5231 ( 4536 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3024 -30.2954 -27.1656 -27.1544 -27.1442 -27.1337 -25.4411 -25.4214 -24.6221 -24.6145 -24.6056 -24.6034 3.8253 3.8525 8.5964 8.6086 9.1519 9.2202 9.7947 9.8341 10.9005 10.9595 11.5156 11.6018 11.6410 11.6560 12.2827 12.3620 12.6096 12.6263 13.9882 14.0141 14.4737 14.4842 14.5897 14.5944 14.9950 15.0906 k = 0.3984 0.2300 0.5358 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3024 -30.2954 -27.1658 -27.1547 -27.1443 -27.1336 -25.4411 -25.4212 -24.6222 -24.6144 -24.6057 -24.6034 3.8336 3.8611 8.6105 8.6165 9.1651 9.2441 9.8202 9.8611 10.8712 10.9295 11.5315 11.6185 11.6588 11.6750 12.2349 12.3155 12.5819 12.6015 13.9909 14.0160 14.4713 14.4836 14.5956 14.5984 14.9494 15.0468 k = 0.3945 0.2278 0.5486 ( 4533 PWs) bands (ev): -57.6623 -57.6623 -51.0646 -51.0646 -30.3025 -30.2955 -27.1659 -27.1549 -27.1444 -27.1335 -25.4410 -25.4211 -24.6222 -24.6142 -24.6059 -24.6034 3.8412 3.8688 8.6176 8.6181 9.1855 9.2743 9.8460 9.8882 10.8429 10.9006 11.5463 11.6328 11.6746 11.6925 12.1905 12.2715 12.5566 12.5791 13.9966 14.0208 14.4658 14.4800 14.6011 14.6018 14.9085 15.0080 k = 0.3906 0.2255 0.5613 ( 4535 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2955 -27.1660 -27.1552 -27.1445 -27.1334 -25.4409 -25.4210 -24.6222 -24.6141 -24.6061 -24.6034 3.8479 3.8755 8.6139 8.6178 9.2128 9.3102 9.8717 9.9152 10.8162 10.8736 11.5595 11.6438 11.6877 11.7080 12.1504 12.2307 12.5341 12.5593 14.0054 14.0283 14.4562 14.4726 14.6044 14.6062 14.8727 14.9742 k = 0.3867 0.2233 0.5741 ( 4539 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2955 -27.1660 -27.1554 -27.1447 -27.1334 -25.4408 -25.4210 -24.6222 -24.6139 -24.6063 -24.6035 3.8536 3.8811 8.6047 8.6115 9.2461 9.3505 9.8974 9.9421 10.7918 10.8492 11.5709 11.6503 11.6976 11.7213 12.1158 12.1939 12.5148 12.5424 14.0172 14.0386 14.4415 14.4600 14.6061 14.6103 14.8423 14.9454 k = 0.3828 0.2210 0.5869 ( 4537 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2956 -27.1659 -27.1556 -27.1448 -27.1334 -25.4406 -25.4210 -24.6222 -24.6138 -24.6065 -24.6035 3.8582 3.8856 8.5911 8.5998 9.2840 9.3942 9.9230 9.9687 10.7707 10.8281 11.5797 11.6511 11.7034 11.7319 12.0880 12.1622 12.4990 12.5284 14.0320 14.0516 14.4205 14.4407 14.6066 14.6133 14.8175 14.9212 k = 0.3789 0.2188 0.5996 ( 4534 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0646 -30.3025 -30.2956 -27.1658 -27.1558 -27.1449 -27.1335 -25.4405 -25.4210 -24.6221 -24.6136 -24.6066 -24.6035 3.8616 3.8887 8.5740 8.5835 9.3254 9.4400 9.9483 9.9948 10.7535 10.8109 11.5856 11.6451 11.7047 11.7397 12.0679 12.1364 12.4868 12.5175 14.0496 14.0672 14.3925 14.4136 14.6060 14.6146 14.7987 14.9004 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8814 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3025 -30.2957 -27.1657 -27.1560 -27.1450 -27.1335 -25.4403 -25.4211 -24.6220 -24.6135 -24.6068 -24.6036 3.8637 3.8905 8.5540 8.5636 9.3690 9.4867 9.9731 10.0202 10.7410 10.7985 11.5875 11.6318 11.7015 11.7446 12.0558 12.1173 12.4784 12.5097 14.0699 14.0853 14.3574 14.3786 14.6045 14.6142 14.7860 14.8814 k = 0.6184-0.0836 0.4082 ( 4530 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3024 -30.2958 -27.1653 -27.1562 -27.1451 -27.1337 -25.4400 -25.4213 -24.6219 -24.6133 -24.6071 -24.6037 3.8656 3.8916 8.5188 8.5281 9.4441 9.5661 10.0148 10.0627 10.7252 10.7828 11.5836 11.5998 11.6936 11.7519 12.0443 12.0938 12.4674 12.4990 14.1061 14.1173 14.2908 14.3112 14.6015 14.6125 14.7704 14.8496 k = 0.6118-0.0950 0.4082 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3023 -30.2960 -27.1650 -27.1564 -27.1452 -27.1339 -25.4397 -25.4215 -24.6217 -24.6130 -24.6075 -24.6038 3.8667 3.8919 8.4850 8.4938 9.5199 9.6462 10.0569 10.1057 10.7111 10.7687 11.5621 11.5711 11.6894 11.7608 12.0371 12.0757 12.4559 12.4880 14.1406 14.1463 14.2221 14.2428 14.5989 14.6115 14.7560 14.8193 k = 0.6053-0.1064 0.4082 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3022 -30.2961 -27.1647 -27.1566 -27.1453 -27.1342 -25.4393 -25.4218 -24.6215 -24.6128 -24.6078 -24.6039 3.8671 3.8913 8.4526 8.4609 9.5959 9.7265 10.0992 10.1490 10.6987 10.7564 11.5207 11.5494 11.6905 11.7709 12.0336 12.0628 12.4439 12.4765 14.1413 14.1453 14.1846 14.2021 14.5965 14.6109 14.7429 14.7929 k = 0.5987-0.1177 0.4082 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3021 -30.2962 -27.1642 -27.1568 -27.1454 -27.1344 -25.4390 -25.4221 -24.6213 -24.6125 -24.6082 -24.6041 3.8669 3.8900 8.4217 8.4296 9.6715 9.8062 10.1417 10.1923 10.6881 10.7459 11.4766 11.5199 11.6962 11.7819 12.0331 12.0545 12.4312 12.4644 14.0731 14.0818 14.2145 14.2228 14.5941 14.6104 14.7309 14.7701 k = 0.5921-0.1291 0.4082 ( 4544 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3020 -30.2964 -27.1638 -27.1569 -27.1455 -27.1348 -25.4386 -25.4225 -24.6210 -24.6123 -24.6086 -24.6042 3.8662 3.8882 8.3925 8.3999 9.7460 9.8848 10.1841 10.2355 10.6795 10.7371 11.4311 11.4850 11.7054 11.7937 12.0349 12.0498 12.4176 12.4516 14.0020 14.0100 14.2466 14.2517 14.5913 14.6098 14.7199 14.7502 k = 0.5855-0.1405 0.4082 ( 4542 PWs) bands (ev): -57.6623 -57.6623 -51.0647 -51.0647 -30.3019 -30.2965 -27.1633 -27.1571 -27.1455 -27.1351 -25.4381 -25.4229 -24.6208 -24.6120 -24.6090 -24.6044 3.8652 3.8860 8.3650 8.3719 9.8190 9.9614 10.2263 10.2782 10.6728 10.7301 11.3848 11.4468 11.7171 11.8062 12.0386 12.0482 12.4029 12.4378 13.9320 13.9388 14.2776 14.2807 14.5882 14.6090 14.7098 14.7328 k = 0.5789-0.1519 0.4082 ( 4530 PWs) bands (ev): -57.6623 -57.6622 -51.0647 -51.0647 -30.3017 -30.2967 -27.1628 -27.1572 -27.1455 -27.1355 -25.4377 -25.4234 -24.6205 -24.6118 -24.6093 -24.6046 3.8639 3.8834 8.3394 8.3457 9.8898 10.0353 10.2682 10.3203 10.6680 10.7248 11.3385 11.4067 11.7308 11.8196 12.0437 12.0489 12.3868 12.4230 13.8645 13.8699 14.3068 14.3088 14.5848 14.6082 14.7004 14.7175 k = 0.5724-0.1633 0.4082 ( 4534 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3015 -30.2968 -27.1624 -27.1573 -27.1455 -27.1359 -25.4372 -25.4239 -24.6201 -24.6116 -24.6097 -24.6048 3.8625 3.8806 8.3155 8.3214 9.9580 10.1055 10.3097 10.3612 10.6653 10.7210 11.2926 11.3656 11.7464 11.8339 12.0501 12.0514 12.3694 12.4069 13.8001 13.8043 14.3337 14.3356 14.5811 14.6076 14.6913 14.7040 k = 0.5658-0.1747 0.4082 ( 4538 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3013 -30.2970 -27.1619 -27.1574 -27.1454 -27.1364 -25.4367 -25.4244 -24.6198 -24.6114 -24.6100 -24.6050 3.8610 3.8776 8.2936 8.2990 10.0232 10.1710 10.3507 10.4008 10.6647 10.7188 11.2476 11.3242 11.7638 11.8492 12.0551 12.0573 12.3502 12.3895 13.7396 13.7427 14.3582 14.3607 14.5775 14.6077 14.6824 14.6921 k = 0.5592-0.1861 0.4082 ( 4542 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3012 -30.2972 -27.1615 -27.1575 -27.1453 -27.1369 -25.4361 -25.4249 -24.6194 -24.6115 -24.6101 -24.6052 3.8594 3.8746 8.2737 8.2785 10.0847 10.2307 10.3914 10.4386 10.6662 10.7178 11.2040 11.2833 11.7829 11.8656 12.0595 12.0652 12.3294 12.3707 13.6835 13.6856 14.3798 14.3837 14.5743 14.6088 14.6737 14.6816 k = 0.5526-0.1975 0.4082 ( 4540 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3010 -30.2974 -27.1610 -27.1576 -27.1452 -27.1375 -25.4356 -25.4255 -24.6190 -24.6118 -24.6100 -24.6055 3.8580 3.8716 8.2558 8.2601 10.1424 10.2834 10.4315 10.4741 10.6700 10.7181 11.1623 11.2431 11.8038 11.8830 12.0643 12.0733 12.3070 12.3506 13.6323 13.6337 14.3982 14.4042 14.5719 14.6116 14.6653 14.6727 k = 0.5461-0.2089 0.4082 ( 4528 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3007 -30.2976 -27.1606 -27.1577 -27.1449 -27.1380 -25.4350 -25.4261 -24.6186 -24.6121 -24.6098 -24.6057 3.8567 3.8686 8.2399 8.2437 10.1959 10.3283 10.4705 10.5069 10.6763 10.7194 11.1230 11.2041 11.8266 11.9016 12.0691 12.0813 12.2830 12.3292 13.5864 13.5872 14.4133 14.4216 14.5711 14.6162 14.6573 14.6651 k = 0.5395-0.2203 0.4082 ( 4528 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3005 -30.2978 -27.1602 -27.1578 -27.1447 -27.1386 -25.4344 -25.4267 -24.6182 -24.6126 -24.6095 -24.6060 3.8555 3.8659 8.2261 8.2293 10.2449 10.3651 10.5072 10.5364 10.6852 10.7217 11.0866 11.1665 11.8511 11.9211 12.0732 12.0888 12.2581 12.3068 13.5462 13.5465 14.4251 14.4354 14.5725 14.6228 14.6499 14.6589 k = 0.5329-0.2317 0.4082 ( 4528 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3003 -30.2980 -27.1598 -27.1579 -27.1444 -27.1392 -25.4338 -25.4273 -24.6178 -24.6130 -24.6092 -24.6063 3.8546 3.8633 8.2145 8.2171 10.2890 10.3938 10.5399 10.5622 10.6969 10.7250 11.0541 11.1307 11.8772 11.9415 12.0762 12.0947 12.2330 12.2838 13.5119 13.5119 14.4339 14.4453 14.5763 14.6305 14.6433 14.6542 k = 0.5263-0.2431 0.4082 ( 4520 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.3001 -30.2982 -27.1594 -27.1579 -27.1440 -27.1398 -25.4332 -25.4279 -24.6173 -24.6135 -24.6089 -24.6065 3.8540 3.8610 8.2049 8.2071 10.3280 10.4149 10.5671 10.5835 10.7108 10.7292 11.0266 11.0969 11.9049 11.9623 12.0774 12.0976 12.2097 12.2610 13.4835 13.4836 14.4404 14.4514 14.5825 14.6343 14.6420 14.6510 k = 0.5197-0.2545 0.4082 ( 4532 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2999 -30.2985 -27.1592 -27.1581 -27.1436 -27.1404 -25.4325 -25.4286 -24.6169 -24.6140 -24.6086 -24.6068 3.8537 3.8589 8.1975 8.1992 10.3616 10.4286 10.5880 10.5998 10.7252 10.7343 11.0056 11.0657 11.9336 11.9829 12.0762 12.0947 12.1915 12.2390 13.4614 13.4616 14.4451 14.4545 14.5901 14.6296 14.6489 14.6495 k = 0.5132-0.2659 0.4082 ( 4536 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2997 -30.2987 -27.1589 -27.1582 -27.1432 -27.1410 -25.4319 -25.4292 -24.6164 -24.6145 -24.6083 -24.6071 3.8537 3.8572 8.1923 8.1934 10.3894 10.4349 10.6029 10.6108 10.7376 10.7399 10.9931 11.0379 11.9628 12.0020 12.0721 12.0834 12.1823 12.2191 13.4456 13.4457 14.4485 14.4553 14.5982 14.6242 14.6497 14.6541 k = 0.5066-0.2773 0.4082 ( 4544 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2994 -30.2990 -27.1587 -27.1583 -27.1427 -27.1416 -25.4312 -25.4299 -24.6159 -24.6150 -24.6080 -24.6074 3.8540 3.8558 8.1893 8.1899 10.4110 10.4340 10.6123 10.6164 10.7448 10.7453 10.9906 11.0148 11.9908 12.0158 12.0653 12.0671 12.1825 12.2024 13.4361 13.4362 14.4512 14.4547 14.6059 14.6187 14.6514 14.6555 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -57.6622 -57.6622 -51.0647 -51.0647 -30.2993 -30.2993 -27.1586 -27.1586 -27.1422 -27.1422 -25.4306 -25.4306 -24.6155 -24.6155 -24.6077 -24.6077 3.8547 3.8547 8.1885 8.1885 10.4259 10.4259 10.6168 10.6168 10.7474 10.7474 10.9984 10.9984 12.0129 12.0129 12.0596 12.0596 12.1898 12.1898 13.4330 13.4330 14.4532 14.4532 14.6127 14.6127 14.6539 14.6539 Writing output data file VSbRu.save init_run : 1.04s CPU 0.65s WALL ( 1 calls) electrons : 294.76s CPU 194.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.17s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 294.75s CPU 194.70s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.42s WALL ( 346 calls) cegterg : 265.41s CPU 176.94s WALL ( 546 calls) Called by sum_band: Called by *egterg: h_psi : 182.54s CPU 110.57s WALL ( 9213 calls) s_psi : 6.28s CPU 3.89s WALL ( 9213 calls) g_psi : 0.35s CPU 0.25s WALL ( 8321 calls) cdiaghg : 73.38s CPU 56.65s WALL ( 8667 calls) cegterg:over : 9.94s CPU 6.74s WALL ( 8321 calls) cegterg:upda : 8.40s CPU 6.18s WALL ( 8321 calls) cegterg:last : 4.32s CPU 2.91s WALL ( 1463 calls) cdiaghg:chol : 4.25s CPU 3.22s WALL ( 8667 calls) cdiaghg:inve : 2.00s CPU 1.64s WALL ( 8667 calls) cdiaghg:para : 4.10s CPU 3.25s WALL ( 17334 calls) Called by h_psi: h_psi:vloc : 164.53s CPU 98.88s WALL ( 9213 calls) h_psi:vnl : 17.65s CPU 11.46s WALL ( 9213 calls) add_vuspsi : 10.34s CPU 6.46s WALL ( 9213 calls) General routines calbec : 7.27s CPU 4.97s WALL ( 9213 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 152.12s CPU 90.82s WALL ( 757168 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.42s CPU 0.79s WALL ( 692 calls) Parallel routines fft_scatter : 63.55s CPU 40.73s WALL ( 757191 calls) PWSCF : 5m10.55s CPU 3m42.99s WALL This run was terminated on: 4:44:42 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=