Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:25:57 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: ./NbSbRu.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 41 41 11 1040 1040 158 Max 42 42 12 1044 1044 162 Sum 1483 1483 421 37509 37509 5769 bravais-lattice index = 14 lattice parameter (alat) = 8.1970 a.u. unit-cell volume = 389.4510 (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 = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.197019 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 Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 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 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. # 3 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 atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ru 16.00 101.07000 Ru( 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 0.0288461), 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 0.3684210 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 0.3954545), 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 0.1704545 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 0.0545454 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 0.0545454), 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 0.5585937), 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 0.6054687), 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 0.6210937), 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 0.3040540 0.6959460), 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 0.3513513 0.6486486), 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 0.4960937 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 0.4804687 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 0.4648437 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492187 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 0.4335937 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 0.4179687 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 0.4023437 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 0.3867187 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 0.6184211), 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 0.1315789 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: 37509 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 254, 42) NL pseudopotentials 0.20 Mb ( 127, 102) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1042) G-vector shells 0.00 Mb ( 309) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 254, 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 : ./NbSbRu.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.4 secs Computing kpt #: 15 total cpu time spent up to now is 8.8 secs Computing kpt #: 16 total cpu time spent up to now is 9.2 secs Computing kpt #: 17 total cpu time spent up to now is 9.6 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.5 secs Computing kpt #: 20 total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.4 secs Computing kpt #: 27 total cpu time spent up to now is 13.8 secs Computing kpt #: 28 total cpu time spent up to now is 14.2 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.7 secs Computing kpt #: 35 total cpu time spent up to now is 17.1 secs Computing kpt #: 36 total cpu time spent up to now is 17.5 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.4 secs Computing kpt #: 39 total cpu time spent up to now is 18.8 secs Computing kpt #: 40 total cpu time spent up to now is 19.2 secs Computing kpt #: 41 total cpu time spent up to now is 19.6 secs Computing kpt #: 42 total cpu time spent up to now is 20.1 secs Computing kpt #: 43 total cpu time spent up to now is 20.6 secs Computing kpt #: 44 total cpu time spent up to now is 21.0 secs Computing kpt #: 45 total cpu time spent up to now is 21.4 secs Computing kpt #: 46 total cpu time spent up to now is 21.9 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.8 secs Computing kpt #: 49 total cpu time spent up to now is 23.2 secs Computing kpt #: 50 total cpu time spent up to now is 23.7 secs Computing kpt #: 51 total cpu time spent up to now is 24.1 secs Computing kpt #: 52 total cpu time spent up to now is 24.5 secs Computing kpt #: 53 total cpu time spent up to now is 25.0 secs Computing kpt #: 54 total cpu time spent up to now is 25.4 secs Computing kpt #: 55 total cpu time spent up to now is 25.9 secs Computing kpt #: 56 total cpu time spent up to now is 26.3 secs Computing kpt #: 57 total cpu time spent up to now is 26.8 secs Computing kpt #: 58 total cpu time spent up to now is 27.2 secs Computing kpt #: 59 total cpu time spent up to now is 27.7 secs Computing kpt #: 60 total cpu time spent up to now is 28.1 secs Computing kpt #: 61 total cpu time spent up to now is 28.5 secs Computing kpt #: 62 total cpu time spent up to now is 29.0 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 29.9 secs Computing kpt #: 65 total cpu time spent up to now is 30.3 secs Computing kpt #: 66 total cpu time spent up to now is 30.7 secs Computing kpt #: 67 total cpu time spent up to now is 31.4 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.2 secs Computing kpt #: 70 total cpu time spent up to now is 32.6 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 33.8 secs Computing kpt #: 74 total cpu time spent up to now is 34.2 secs Computing kpt #: 75 total cpu time spent up to now is 34.6 secs Computing kpt #: 76 total cpu time spent up to now is 35.0 secs Computing kpt #: 77 total cpu time spent up to now is 35.5 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.6 secs Computing kpt #: 81 total cpu time spent up to now is 37.0 secs Computing kpt #: 82 total cpu time spent up to now is 37.4 secs Computing kpt #: 83 total cpu time spent up to now is 37.8 secs Computing kpt #: 84 total cpu time spent up to now is 38.3 secs Computing kpt #: 85 total cpu time spent up to now is 38.7 secs Computing kpt #: 86 total cpu time spent up to now is 39.1 secs Computing kpt #: 87 total cpu time spent up to now is 39.5 secs Computing kpt #: 88 total cpu time spent up to now is 39.9 secs Computing kpt #: 89 total cpu time spent up to now is 40.3 secs Computing kpt #: 90 total cpu time spent up to now is 40.7 secs Computing kpt #: 91 total cpu time spent up to now is 41.2 secs Computing kpt #: 92 total cpu time spent up to now is 41.6 secs Computing kpt #: 93 total cpu time spent up to now is 42.1 secs Computing kpt #: 94 total cpu time spent up to now is 42.5 secs Computing kpt #: 95 total cpu time spent up to now is 43.0 secs Computing kpt #: 96 total cpu time spent up to now is 43.4 secs Computing kpt #: 97 total cpu time spent up to now is 43.8 secs Computing kpt #: 98 total cpu time spent up to now is 44.3 secs Computing kpt #: 99 total cpu time spent up to now is 44.7 secs Computing kpt #: 100 total cpu time spent up to now is 45.2 secs Computing kpt #: 101 total cpu time spent up to now is 45.6 secs Computing kpt #: 102 total cpu time spent up to now is 46.1 secs Computing kpt #: 103 total cpu time spent up to now is 46.5 secs Computing kpt #: 104 total cpu time spent up to now is 47.0 secs Computing kpt #: 105 total cpu time spent up to now is 47.4 secs Computing kpt #: 106 total cpu time spent up to now is 47.8 secs Computing kpt #: 107 total cpu time spent up to now is 48.2 secs Computing kpt #: 108 total cpu time spent up to now is 48.7 secs Computing kpt #: 109 total cpu time spent up to now is 49.1 secs Computing kpt #: 110 total cpu time spent up to now is 49.5 secs Computing kpt #: 111 total cpu time spent up to now is 49.9 secs Computing kpt #: 112 total cpu time spent up to now is 50.3 secs Computing kpt #: 113 total cpu time spent up to now is 50.7 secs Computing kpt #: 114 total cpu time spent up to now is 51.1 secs Computing kpt #: 115 total cpu time spent up to now is 51.5 secs Computing kpt #: 116 total cpu time spent up to now is 51.9 secs Computing kpt #: 117 total cpu time spent up to now is 52.3 secs Computing kpt #: 118 total cpu time spent up to now is 52.6 secs Computing kpt #: 119 total cpu time spent up to now is 53.1 secs Computing kpt #: 120 total cpu time spent up to now is 53.5 secs Computing kpt #: 121 total cpu time spent up to now is 53.9 secs Computing kpt #: 122 total cpu time spent up to now is 54.3 secs Computing kpt #: 123 total cpu time spent up to now is 54.7 secs Computing kpt #: 124 total cpu time spent up to now is 55.0 secs Computing kpt #: 125 total cpu time spent up to now is 55.4 secs Computing kpt #: 126 total cpu time spent up to now is 55.8 secs Computing kpt #: 127 total cpu time spent up to now is 56.2 secs Computing kpt #: 128 total cpu time spent up to now is 56.6 secs Computing kpt #: 129 total cpu time spent up to now is 57.0 secs Computing kpt #: 130 total cpu time spent up to now is 57.5 secs Computing kpt #: 131 total cpu time spent up to now is 57.9 secs Computing kpt #: 132 total cpu time spent up to now is 58.3 secs Computing kpt #: 133 total cpu time spent up to now is 58.7 secs Computing kpt #: 134 total cpu time spent up to now is 59.1 secs Computing kpt #: 135 total cpu time spent up to now is 59.5 secs Computing kpt #: 136 total cpu time spent up to now is 59.9 secs Computing kpt #: 137 total cpu time spent up to now is 60.3 secs Computing kpt #: 138 total cpu time spent up to now is 60.6 secs Computing kpt #: 139 total cpu time spent up to now is 61.0 secs Computing kpt #: 140 total cpu time spent up to now is 61.4 secs Computing kpt #: 141 total cpu time spent up to now is 61.9 secs Computing kpt #: 142 total cpu time spent up to now is 62.3 secs Computing kpt #: 143 total cpu time spent up to now is 62.7 secs Computing kpt #: 144 total cpu time spent up to now is 63.2 secs Computing kpt #: 145 total cpu time spent up to now is 63.6 secs Computing kpt #: 146 total cpu time spent up to now is 64.1 secs Computing kpt #: 147 total cpu time spent up to now is 64.5 secs Computing kpt #: 148 total cpu time spent up to now is 64.9 secs Computing kpt #: 149 total cpu time spent up to now is 65.4 secs Computing kpt #: 150 total cpu time spent up to now is 65.8 secs Computing kpt #: 151 total cpu time spent up to now is 66.3 secs Computing kpt #: 152 total cpu time spent up to now is 66.7 secs Computing kpt #: 153 total cpu time spent up to now is 67.1 secs Computing kpt #: 154 total cpu time spent up to now is 67.6 secs Computing kpt #: 155 total cpu time spent up to now is 68.1 secs Computing kpt #: 156 total cpu time spent up to now is 68.5 secs Computing kpt #: 157 total cpu time spent up to now is 69.0 secs Computing kpt #: 158 total cpu time spent up to now is 69.4 secs Computing kpt #: 159 total cpu time spent up to now is 69.9 secs Computing kpt #: 160 total cpu time spent up to now is 70.3 secs Computing kpt #: 161 total cpu time spent up to now is 70.8 secs Computing kpt #: 162 total cpu time spent up to now is 71.2 secs Computing kpt #: 163 total cpu time spent up to now is 71.6 secs Computing kpt #: 164 total cpu time spent up to now is 72.0 secs Computing kpt #: 165 total cpu time spent up to now is 72.5 secs Computing kpt #: 166 total cpu time spent up to now is 72.9 secs Computing kpt #: 167 total cpu time spent up to now is 73.3 secs Computing kpt #: 168 total cpu time spent up to now is 73.8 secs Computing kpt #: 169 total cpu time spent up to now is 74.2 secs Computing kpt #: 170 total cpu time spent up to now is 74.7 secs Computing kpt #: 171 total cpu time spent up to now is 75.1 secs Computing kpt #: 172 total cpu time spent up to now is 75.5 secs Computing kpt #: 173 total cpu time spent up to now is 75.9 secs Computing kpt #: 174 total cpu time spent up to now is 76.3 secs Computing kpt #: 175 total cpu time spent up to now is 76.7 secs Computing kpt #: 176 total cpu time spent up to now is 77.1 secs Computing kpt #: 177 total cpu time spent up to now is 77.6 secs Computing kpt #: 178 total cpu time spent up to now is 78.0 secs Computing kpt #: 179 total cpu time spent up to now is 78.4 secs Computing kpt #: 180 total cpu time spent up to now is 78.9 secs Computing kpt #: 181 total cpu time spent up to now is 79.3 secs Computing kpt #: 182 total cpu time spent up to now is 79.7 secs Computing kpt #: 183 total cpu time spent up to now is 80.2 secs Computing kpt #: 184 total cpu time spent up to now is 80.7 secs Computing kpt #: 185 total cpu time spent up to now is 81.2 secs Computing kpt #: 186 total cpu time spent up to now is 81.7 secs Computing kpt #: 187 total cpu time spent up to now is 82.1 secs Computing kpt #: 188 total cpu time spent up to now is 82.5 secs Computing kpt #: 189 total cpu time spent up to now is 83.0 secs Computing kpt #: 190 total cpu time spent up to now is 83.4 secs Computing kpt #: 191 total cpu time spent up to now is 83.9 secs Computing kpt #: 192 total cpu time spent up to now is 84.3 secs Computing kpt #: 193 total cpu time spent up to now is 84.7 secs Computing kpt #: 194 total cpu time spent up to now is 85.2 secs Computing kpt #: 195 total cpu time spent up to now is 85.6 secs Computing kpt #: 196 total cpu time spent up to now is 86.1 secs Computing kpt #: 197 total cpu time spent up to now is 86.5 secs Computing kpt #: 198 total cpu time spent up to now is 86.9 secs Computing kpt #: 199 total cpu time spent up to now is 87.3 secs Computing kpt #: 200 total cpu time spent up to now is 87.7 secs Computing kpt #: 201 total cpu time spent up to now is 88.2 secs Computing kpt #: 202 total cpu time spent up to now is 88.7 secs Computing kpt #: 203 total cpu time spent up to now is 89.1 secs Computing kpt #: 204 total cpu time spent up to now is 89.5 secs Computing kpt #: 205 total cpu time spent up to now is 89.9 secs Computing kpt #: 206 total cpu time spent up to now is 90.4 secs Computing kpt #: 207 total cpu time spent up to now is 90.8 secs Computing kpt #: 208 total cpu time spent up to now is 91.3 secs Computing kpt #: 209 total cpu time spent up to now is 91.7 secs Computing kpt #: 210 total cpu time spent up to now is 92.1 secs Computing kpt #: 211 total cpu time spent up to now is 92.6 secs Computing kpt #: 212 total cpu time spent up to now is 93.1 secs Computing kpt #: 213 total cpu time spent up to now is 93.5 secs Computing kpt #: 214 total cpu time spent up to now is 93.9 secs Computing kpt #: 215 total cpu time spent up to now is 94.3 secs Computing kpt #: 216 total cpu time spent up to now is 94.7 secs Computing kpt #: 217 total cpu time spent up to now is 95.2 secs Computing kpt #: 218 total cpu time spent up to now is 95.6 secs Computing kpt #: 219 total cpu time spent up to now is 96.0 secs Computing kpt #: 220 total cpu time spent up to now is 96.4 secs Computing kpt #: 221 total cpu time spent up to now is 96.8 secs Computing kpt #: 222 total cpu time spent up to now is 97.2 secs Computing kpt #: 223 total cpu time spent up to now is 97.7 secs Computing kpt #: 224 total cpu time spent up to now is 98.1 secs Computing kpt #: 225 total cpu time spent up to now is 98.5 secs Computing kpt #: 226 total cpu time spent up to now is 98.9 secs Computing kpt #: 227 total cpu time spent up to now is 99.4 secs Computing kpt #: 228 total cpu time spent up to now is 99.8 secs Computing kpt #: 229 total cpu time spent up to now is 100.3 secs Computing kpt #: 230 total cpu time spent up to now is 100.7 secs Computing kpt #: 231 total cpu time spent up to now is 101.2 secs Computing kpt #: 232 total cpu time spent up to now is 101.6 secs Computing kpt #: 233 total cpu time spent up to now is 102.1 secs Computing kpt #: 234 total cpu time spent up to now is 102.5 secs Computing kpt #: 235 total cpu time spent up to now is 102.9 secs Computing kpt #: 236 total cpu time spent up to now is 103.3 secs Computing kpt #: 237 total cpu time spent up to now is 103.8 secs Computing kpt #: 238 total cpu time spent up to now is 104.2 secs Computing kpt #: 239 total cpu time spent up to now is 104.7 secs Computing kpt #: 240 total cpu time spent up to now is 105.1 secs Computing kpt #: 241 total cpu time spent up to now is 105.5 secs Computing kpt #: 242 total cpu time spent up to now is 105.9 secs Computing kpt #: 243 total cpu time spent up to now is 106.4 secs Computing kpt #: 244 total cpu time spent up to now is 106.8 secs Computing kpt #: 245 total cpu time spent up to now is 107.3 secs Computing kpt #: 246 total cpu time spent up to now is 107.7 secs Computing kpt #: 247 total cpu time spent up to now is 108.1 secs Computing kpt #: 248 total cpu time spent up to now is 108.5 secs Computing kpt #: 249 total cpu time spent up to now is 109.0 secs Computing kpt #: 250 total cpu time spent up to now is 109.4 secs Computing kpt #: 251 total cpu time spent up to now is 109.9 secs Computing kpt #: 252 total cpu time spent up to now is 110.3 secs Computing kpt #: 253 total cpu time spent up to now is 110.7 secs Computing kpt #: 254 total cpu time spent up to now is 111.1 secs Computing kpt #: 255 total cpu time spent up to now is 111.5 secs Computing kpt #: 256 total cpu time spent up to now is 111.9 secs Computing kpt #: 257 total cpu time spent up to now is 112.3 secs Computing kpt #: 258 total cpu time spent up to now is 112.7 secs Computing kpt #: 259 total cpu time spent up to now is 113.1 secs Computing kpt #: 260 total cpu time spent up to now is 113.5 secs Computing kpt #: 261 total cpu time spent up to now is 113.9 secs Computing kpt #: 262 total cpu time spent up to now is 114.3 secs Computing kpt #: 263 total cpu time spent up to now is 114.7 secs Computing kpt #: 264 total cpu time spent up to now is 115.2 secs Computing kpt #: 265 total cpu time spent up to now is 115.6 secs Computing kpt #: 266 total cpu time spent up to now is 116.1 secs Computing kpt #: 267 total cpu time spent up to now is 116.5 secs Computing kpt #: 268 total cpu time spent up to now is 117.0 secs Computing kpt #: 269 total cpu time spent up to now is 117.5 secs Computing kpt #: 270 total cpu time spent up to now is 117.9 secs Computing kpt #: 271 total cpu time spent up to now is 118.3 secs Computing kpt #: 272 total cpu time spent up to now is 118.7 secs Computing kpt #: 273 total cpu time spent up to now is 119.1 secs Computing kpt #: 274 total cpu time spent up to now is 119.6 secs Computing kpt #: 275 total cpu time spent up to now is 120.0 secs Computing kpt #: 276 total cpu time spent up to now is 120.4 secs Computing kpt #: 277 total cpu time spent up to now is 120.8 secs Computing kpt #: 278 total cpu time spent up to now is 121.3 secs Computing kpt #: 279 total cpu time spent up to now is 121.7 secs Computing kpt #: 280 total cpu time spent up to now is 122.2 secs Computing kpt #: 281 total cpu time spent up to now is 122.6 secs Computing kpt #: 282 total cpu time spent up to now is 123.0 secs Computing kpt #: 283 total cpu time spent up to now is 123.5 secs Computing kpt #: 284 total cpu time spent up to now is 123.9 secs Computing kpt #: 285 total cpu time spent up to now is 124.3 secs Computing kpt #: 286 total cpu time spent up to now is 124.8 secs Computing kpt #: 287 total cpu time spent up to now is 125.3 secs Computing kpt #: 288 total cpu time spent up to now is 125.7 secs Computing kpt #: 289 total cpu time spent up to now is 126.1 secs Computing kpt #: 290 total cpu time spent up to now is 126.5 secs Computing kpt #: 291 total cpu time spent up to now is 127.0 secs Computing kpt #: 292 total cpu time spent up to now is 127.5 secs Computing kpt #: 293 total cpu time spent up to now is 127.9 secs Computing kpt #: 294 total cpu time spent up to now is 128.3 secs Computing kpt #: 295 total cpu time spent up to now is 128.8 secs Computing kpt #: 296 total cpu time spent up to now is 129.2 secs Computing kpt #: 297 total cpu time spent up to now is 129.6 secs Computing kpt #: 298 total cpu time spent up to now is 130.1 secs Computing kpt #: 299 total cpu time spent up to now is 130.5 secs Computing kpt #: 300 total cpu time spent up to now is 130.9 secs Computing kpt #: 301 total cpu time spent up to now is 131.3 secs Computing kpt #: 302 total cpu time spent up to now is 131.7 secs Computing kpt #: 303 total cpu time spent up to now is 132.2 secs Computing kpt #: 304 total cpu time spent up to now is 132.7 secs Computing kpt #: 305 total cpu time spent up to now is 133.1 secs Computing kpt #: 306 total cpu time spent up to now is 133.5 secs Computing kpt #: 307 total cpu time spent up to now is 133.9 secs Computing kpt #: 308 total cpu time spent up to now is 134.3 secs Computing kpt #: 309 total cpu time spent up to now is 134.7 secs Computing kpt #: 310 total cpu time spent up to now is 135.1 secs Computing kpt #: 311 total cpu time spent up to now is 135.6 secs Computing kpt #: 312 total cpu time spent up to now is 136.0 secs Computing kpt #: 313 total cpu time spent up to now is 136.4 secs Computing kpt #: 314 total cpu time spent up to now is 136.8 secs Computing kpt #: 315 total cpu time spent up to now is 137.2 secs Computing kpt #: 316 total cpu time spent up to now is 137.7 secs Computing kpt #: 317 total cpu time spent up to now is 138.1 secs Computing kpt #: 318 total cpu time spent up to now is 138.5 secs Computing kpt #: 319 total cpu time spent up to now is 138.9 secs Computing kpt #: 320 total cpu time spent up to now is 139.3 secs Computing kpt #: 321 total cpu time spent up to now is 139.8 secs Computing kpt #: 322 total cpu time spent up to now is 140.2 secs Computing kpt #: 323 total cpu time spent up to now is 140.6 secs Computing kpt #: 324 total cpu time spent up to now is 141.1 secs Computing kpt #: 325 total cpu time spent up to now is 141.5 secs Computing kpt #: 326 total cpu time spent up to now is 141.9 secs Computing kpt #: 327 total cpu time spent up to now is 142.3 secs Computing kpt #: 328 total cpu time spent up to now is 142.8 secs Computing kpt #: 329 total cpu time spent up to now is 143.3 secs Computing kpt #: 330 total cpu time spent up to now is 143.7 secs Computing kpt #: 331 total cpu time spent up to now is 144.1 secs Computing kpt #: 332 total cpu time spent up to now is 144.6 secs Computing kpt #: 333 total cpu time spent up to now is 145.1 secs Computing kpt #: 334 total cpu time spent up to now is 145.5 secs Computing kpt #: 335 total cpu time spent up to now is 145.9 secs Computing kpt #: 336 total cpu time spent up to now is 146.4 secs Computing kpt #: 337 total cpu time spent up to now is 146.8 secs Computing kpt #: 338 total cpu time spent up to now is 147.3 secs Computing kpt #: 339 total cpu time spent up to now is 147.8 secs Computing kpt #: 340 total cpu time spent up to now is 148.2 secs Computing kpt #: 341 total cpu time spent up to now is 148.7 secs Computing kpt #: 342 total cpu time spent up to now is 149.1 secs Computing kpt #: 343 total cpu time spent up to now is 149.5 secs Computing kpt #: 344 total cpu time spent up to now is 150.0 secs Computing kpt #: 345 total cpu time spent up to now is 150.5 secs Computing kpt #: 346 total cpu time spent up to now is 150.9 secs ethr = 2.94E-08, avg # of iterations = 15.6 total cpu time spent up to now is 150.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7716 3.7716 10.9813 10.9813 11.2110 11.2110 11.2110 11.2110 11.8881 11.8881 11.8881 11.8881 14.1875 14.1875 14.3002 14.3002 14.3002 14.3002 17.1307 17.1307 17.1307 17.1307 17.7301 17.7301 18.0434 18.0434 k = 0.0096-0.0056 0.0079 ( 4685 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7729 3.7729 10.9793 10.9793 11.2032 11.2032 11.2143 11.2143 11.8846 11.8846 11.8982 11.8982 14.1853 14.1853 14.2967 14.2967 14.2991 14.2991 17.1279 17.1279 17.1322 17.1322 17.7211 17.7211 18.0518 18.0518 k = 0.0192-0.0111 0.0157 ( 4677 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7769 3.7769 10.9725 10.9725 11.1884 11.1884 11.2170 11.2170 11.8852 11.8852 11.9162 11.9162 14.1787 14.1787 14.2880 14.2880 14.2942 14.2942 17.1232 17.1232 17.1334 17.1334 17.6974 17.6974 18.0739 18.0739 k = 0.0288-0.0167 0.0236 ( 4673 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5744 -15.5744 -15.5742 -15.5742 3.7835 3.7835 10.9592 10.9592 11.1690 11.1690 11.2204 11.2204 11.8885 11.8885 11.9419 11.9419 14.1675 14.1675 14.2740 14.2740 14.2860 14.2860 17.1159 17.1159 17.1345 17.1345 17.6652 17.6652 18.1036 18.1036 k = 0.0385-0.0222 0.0314 ( 4673 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6171 -25.6171 -25.6170 -25.6170 -17.6798 -17.6798 -15.5745 -15.5745 -15.5742 -15.5742 3.7927 3.7927 10.9366 10.9366 11.1498 11.1498 11.2251 11.2251 11.8939 11.8939 11.9735 11.9735 14.1519 14.1519 14.2553 14.2553 14.2745 14.2745 17.1059 17.1059 17.1356 17.1356 17.6297 17.6297 18.1367 18.1367 k = 0.0481-0.0278 0.0393 ( 4685 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6172 -25.6172 -25.6170 -25.6170 -17.6798 -17.6798 -15.5746 -15.5746 -15.5742 -15.5742 3.8045 3.8045 10.9024 10.9024 11.1352 11.1352 11.2310 11.2310 11.9011 11.9011 12.0090 12.0090 14.1317 14.1317 14.2327 14.2327 14.2599 14.2599 17.0933 17.0933 17.1366 17.1366 17.5938 17.5938 18.1713 18.1713 k = 0.0577-0.0333 0.0471 ( 4693 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7744 -28.7744 -25.6173 -25.6173 -25.6171 -25.6171 -17.6798 -17.6798 -15.5748 -15.5748 -15.5742 -15.5742 3.8189 3.8189 10.8568 10.8568 11.1269 11.1269 11.2381 11.2381 11.9100 11.9100 12.0466 12.0466 14.1070 14.1070 14.2070 14.2070 14.2425 14.2425 17.0780 17.0780 17.1373 17.1373 17.5595 17.5595 18.2071 18.2071 k = 0.0673-0.0389 0.0550 ( 4709 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7744 -28.7744 -25.6175 -25.6175 -25.6172 -25.6172 -17.6797 -17.6797 -15.5750 -15.5750 -15.5741 -15.5741 3.8357 3.8357 10.8017 10.8017 11.1246 11.1246 11.2464 11.2464 11.9206 11.9206 12.0851 12.0851 14.0778 14.0778 14.1791 14.1791 14.2225 14.2225 17.0601 17.0601 17.1374 17.1374 17.5274 17.5274 18.2440 18.2440 k = 0.0769-0.0444 0.0628 ( 4713 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7745 -28.7745 -25.6176 -25.6176 -25.6172 -25.6172 -17.6797 -17.6797 -15.5752 -15.5752 -15.5741 -15.5741 3.8550 3.8550 10.7398 10.7398 11.1268 11.1268 11.2559 11.2559 11.9328 11.9328 12.1232 12.1232 14.0445 14.0445 14.1496 14.1496 14.2000 14.2000 17.0396 17.0396 17.1366 17.1366 17.4982 17.4982 18.2820 18.2820 k = 0.0865-0.0500 0.0707 ( 4713 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7745 -28.7745 -25.6178 -25.6178 -25.6172 -25.6172 -17.6796 -17.6796 -15.5754 -15.5754 -15.5740 -15.5740 3.8767 3.8767 10.6730 10.6730 11.1325 11.1325 11.2667 11.2667 11.9467 11.9467 12.1602 12.1602 14.0077 14.0077 14.1190 14.1190 14.1754 14.1754 17.0166 17.0166 17.1347 17.1347 17.4720 17.4720 18.3209 18.3209 k = 0.0962-0.0555 0.0785 ( 4713 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7746 -28.7746 -25.6179 -25.6179 -25.6172 -25.6172 -17.6796 -17.6796 -15.5756 -15.5756 -15.5740 -15.5740 3.9007 3.9007 10.6029 10.6029 11.1408 11.1408 11.2785 11.2785 11.9622 11.9622 12.1953 12.1953 13.9682 13.9682 14.0876 14.0876 14.1489 14.1489 16.9912 16.9912 17.1314 17.1314 17.4490 17.4490 18.3605 18.3605 k = 0.1058-0.0611 0.0864 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7746 -28.7746 -25.6182 -25.6182 -25.6173 -25.6173 -17.6795 -17.6795 -15.5759 -15.5759 -15.5739 -15.5739 3.9268 3.9268 10.5308 10.5308 11.1512 11.1512 11.2915 11.2915 11.9792 11.9792 12.2281 12.2281 13.9268 13.9268 14.0555 14.0555 14.1209 14.1209 16.9633 16.9633 17.1266 17.1266 17.4290 17.4290 18.4001 18.4001 k = 0.1154-0.0666 0.0942 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7746 -28.7746 -25.6184 -25.6184 -25.6173 -25.6173 -17.6794 -17.6794 -15.5762 -15.5762 -15.5739 -15.5739 3.9551 3.9551 10.4575 10.4575 11.1633 11.1633 11.3056 11.3056 11.9978 11.9978 12.2580 12.2580 13.8845 13.8845 14.0229 14.0229 14.0915 14.0915 16.9332 16.9332 17.1201 17.1201 17.4121 17.4121 18.4392 18.4392 k = 0.1250-0.0722 0.1021 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7747 -28.7747 -25.6186 -25.6186 -25.6173 -25.6173 -17.6794 -17.6794 -15.5765 -15.5765 -15.5738 -15.5738 3.9854 3.9854 10.3838 10.3838 11.1770 11.1770 11.3206 11.3206 12.0180 12.0180 12.2846 12.2846 13.8420 13.8420 13.9900 13.9900 14.0611 14.0611 16.9007 16.9007 17.1118 17.1118 17.3980 17.3980 18.4768 18.4768 k = 0.1346-0.0777 0.1099 ( 4713 PWs) bands (ev): -56.1308 -56.1308 -40.1393 -40.1393 -28.7747 -28.7747 -25.6188 -25.6188 -25.6174 -25.6174 -17.6793 -17.6793 -15.5769 -15.5769 -15.5737 -15.5737 4.0176 4.0176 10.3102 10.3102 11.1919 11.1919 11.3366 11.3366 12.0396 12.0396 12.3076 12.3076 13.8002 13.8002 13.9568 13.9568 14.0299 14.0299 16.8661 16.8661 17.1019 17.1019 17.3864 17.3864 18.5122 18.5122 k = 0.1442-0.0833 0.1178 ( 4729 PWs) bands (ev): -56.1307 -56.1307 -40.1393 -40.1393 -28.7748 -28.7748 -25.6191 -25.6191 -25.6174 -25.6174 -17.6792 -17.6792 -15.5773 -15.5773 -15.5737 -15.5737 4.0515 4.0515 10.2374 10.2374 11.2079 11.2079 11.3536 11.3536 12.0626 12.0626 12.3266 12.3266 13.7596 13.7596 13.9237 13.9237 13.9982 13.9982 16.8292 16.8292 17.0904 17.0904 17.3771 17.3771 18.5444 18.5444 k = 0.1538-0.0888 0.1256 ( 4721 PWs) bands (ev): -56.1307 -56.1307 -40.1394 -40.1394 -28.7749 -28.7749 -25.6194 -25.6194 -25.6174 -25.6174 -17.6791 -17.6791 -15.5777 -15.5777 -15.5736 -15.5736 4.0870 4.0870 10.1658 10.1658 11.2250 11.2250 11.3713 11.3713 12.0871 12.0871 12.3414 12.3414 13.7210 13.7210 13.8906 13.8906 13.9664 13.9664 16.7903 16.7903 17.0775 17.0775 17.3696 17.3696 18.5724 18.5724 k = 0.1635-0.0944 0.1335 ( 4729 PWs) bands (ev): -56.1307 -56.1307 -40.1395 -40.1395 -28.7750 -28.7750 -25.6197 -25.6197 -25.6175 -25.6175 -17.6790 -17.6790 -15.5781 -15.5781 -15.5735 -15.5735 4.1240 4.1240 10.0958 10.0958 11.2430 11.2430 11.3899 11.3899 12.1128 12.1128 12.3519 12.3519 13.6847 13.6847 13.8580 13.8580 13.9346 13.9346 16.7492 16.7492 17.0633 17.0633 17.3636 17.3636 18.5952 18.5952 k = 0.1731-0.0999 0.1413 ( 4729 PWs) bands (ev): -56.1306 -56.1306 -40.1395 -40.1395 -28.7750 -28.7750 -25.6199 -25.6199 -25.6175 -25.6175 -17.6790 -17.6790 -15.5785 -15.5785 -15.5734 -15.5734 4.1622 4.1622 10.0279 10.0279 11.2617 11.2617 11.4091 11.4091 12.1398 12.1398 12.3580 12.3580 13.6511 13.6511 13.8258 13.8258 13.9031 13.9031 16.7062 16.7062 17.0481 17.0481 17.3587 17.3587 18.6120 18.6120 k = 0.1827-0.1055 0.1492 ( 4729 PWs) bands (ev): -56.1306 -56.1306 -40.1396 -40.1396 -28.7751 -28.7751 -25.6202 -25.6202 -25.6176 -25.6176 -17.6789 -17.6789 -15.5789 -15.5789 -15.5733 -15.5733 4.2016 4.2016 9.9624 9.9624 11.2811 11.2811 11.4290 11.4290 12.1677 12.1677 12.3597 12.3597 13.6204 13.6204 13.7945 13.7945 13.8722 13.8722 16.6612 16.6612 17.0320 17.0320 17.3547 17.3547 18.6220 18.6220 k = 0.1923-0.1110 0.1570 ( 4717 PWs) bands (ev): -56.1306 -56.1306 -40.1397 -40.1397 -28.7751 -28.7751 -25.6205 -25.6205 -25.6176 -25.6176 -17.6788 -17.6788 -15.5794 -15.5794 -15.5732 -15.5732 4.2419 4.2419 9.8997 9.8997 11.3010 11.3010 11.4493 11.4493 12.1961 12.1961 12.3576 12.3576 13.5927 13.5927 13.7640 13.7640 13.8422 13.8422 16.6144 16.6144 17.0150 17.0150 17.3511 17.3511 18.6243 18.6243 k = 0.2019-0.1166 0.1649 ( 4725 PWs) bands (ev): -56.1306 -56.1306 -40.1398 -40.1398 -28.7752 -28.7752 -25.6208 -25.6208 -25.6177 -25.6177 -17.6787 -17.6787 -15.5798 -15.5798 -15.5731 -15.5731 4.2830 4.2830 9.8401 9.8401 11.3213 11.3213 11.4701 11.4701 12.2241 12.2241 12.3528 12.3528 13.5679 13.5679 13.7346 13.7346 13.8132 13.8132 16.5659 16.5659 16.9972 16.9972 17.3479 17.3479 18.6184 18.6184 k = 0.2115-0.1221 0.1727 ( 4717 PWs) bands (ev): -56.1305 -56.1305 -40.1398 -40.1398 -28.7753 -28.7753 -25.6211 -25.6211 -25.6177 -25.6177 -17.6786 -17.6786 -15.5803 -15.5803 -15.5730 -15.5730 4.3246 4.3246 9.7841 9.7841 11.3419 11.3419 11.4913 11.4913 12.2492 12.2492 12.3479 12.3479 13.5457 13.5457 13.7065 13.7065 13.7855 13.7855 16.5156 16.5156 16.9787 16.9787 17.3446 17.3446 18.6042 18.6042 k = 0.2212-0.1277 0.1806 ( 4705 PWs) bands (ev): -56.1305 -56.1305 -40.1399 -40.1399 -28.7753 -28.7753 -25.6214 -25.6214 -25.6177 -25.6177 -17.6785 -17.6785 -15.5808 -15.5808 -15.5729 -15.5729 4.3666 4.3666 9.7318 9.7318 11.3627 11.3627 11.5127 11.5127 12.2647 12.2647 12.3500 12.3500 13.5258 13.5258 13.6798 13.6798 13.7593 13.7593 16.4638 16.4638 16.9594 16.9594 17.3412 17.3412 18.5814 18.5814 k = 0.2308-0.1332 0.1884 ( 4705 PWs) bands (ev): -56.1305 -56.1305 -40.1400 -40.1400 -28.7754 -28.7754 -25.6217 -25.6217 -25.6178 -25.6178 -17.6784 -17.6784 -15.5813 -15.5813 -15.5728 -15.5728 4.4086 4.4086 9.6836 9.6836 11.3834 11.3834 11.5342 11.5342 12.2634 12.2634 12.3667 12.3667 13.5076 13.5076 13.6546 13.6546 13.7349 13.7349 16.4106 16.4106 16.9394 16.9394 17.3374 17.3374 18.5503 18.5503 k = 0.2404-0.1388 0.1963 ( 4705 PWs) bands (ev): -56.1304 -56.1304 -40.1400 -40.1400 -28.7754 -28.7754 -25.6220 -25.6220 -25.6178 -25.6178 -17.6783 -17.6783 -15.5818 -15.5818 -15.5727 -15.5727 4.4506 4.4506 9.6398 9.6398 11.4041 11.4041 11.5558 11.5558 12.2487 12.2487 12.3950 12.3950 13.4905 13.4905 13.6311 13.6311 13.7124 13.7124 16.3559 16.3559 16.9187 16.9187 17.3330 17.3330 18.5113 18.5113 k = 0.2500-0.1443 0.2041 ( 4729 PWs) bands (ev): -56.1304 -56.1304 -40.1401 -40.1401 -28.7756 -28.7756 -25.6224 -25.6224 -25.6179 -25.6179 -17.6783 -17.6783 -15.5823 -15.5823 -15.5727 -15.5726 4.4922 4.4922 9.6006 9.6006 11.4245 11.4245 11.5772 11.5772 12.2272 12.2272 12.4290 12.4290 13.4741 13.4741 13.6093 13.6093 13.6921 13.6921 16.3001 16.3001 16.8971 16.8971 17.3279 17.3279 18.4649 18.4649 k = 0.2596-0.1499 0.2120 ( 4696 PWs) bands (ev): -56.1304 -56.1304 -40.1402 -40.1402 -28.7756 -28.7756 -25.6227 -25.6227 -25.6179 -25.6179 -17.6782 -17.6782 -15.5828 -15.5828 -15.5726 -15.5726 4.5332 4.5332 9.5662 9.5662 11.4445 11.4445 11.5985 11.5985 12.2019 12.2019 12.4659 12.4659 13.4576 13.4576 13.5894 13.5894 13.6741 13.6741 16.2431 16.2431 16.8748 16.8748 17.3219 17.3219 18.4118 18.4118 k = 0.2692-0.1554 0.2198 ( 4696 PWs) bands (ev): -56.1303 -56.1303 -40.1403 -40.1403 -28.7756 -28.7756 -25.6230 -25.6230 -25.6180 -25.6180 -17.6781 -17.6781 -15.5833 -15.5833 -15.5725 -15.5725 4.5735 4.5735 9.5368 9.5368 11.4639 11.4639 11.6194 11.6194 12.1744 12.1744 12.5047 12.5047 13.4403 13.4403 13.5715 13.5715 13.6586 13.6586 16.1852 16.1852 16.8518 16.8518 17.3148 17.3148 18.3528 18.3528 k = 0.2788-0.1610 0.2277 ( 4696 PWs) bands (ev): -56.1303 -56.1303 -40.1403 -40.1403 -28.7757 -28.7757 -25.6233 -25.6233 -25.6180 -25.6180 -17.6780 -17.6780 -15.5838 -15.5838 -15.5724 -15.5724 4.6129 4.6129 9.5125 9.5125 11.4827 11.4827 11.6399 11.6399 12.1457 12.1457 12.5450 12.5450 13.4216 13.4216 13.5556 13.5556 13.6457 13.6457 16.1264 16.1264 16.8281 16.8281 17.3066 17.3066 18.2888 18.2888 k = 0.2885-0.1665 0.2355 ( 4692 PWs) bands (ev): -56.1303 -56.1303 -40.1404 -40.1404 -28.7758 -28.7758 -25.6236 -25.6236 -25.6181 -25.6181 -17.6779 -17.6779 -15.5843 -15.5843 -15.5723 -15.5723 4.6510 4.6510 9.4936 9.4936 11.5007 11.5007 11.6598 11.6598 12.1164 12.1164 12.5863 12.5863 13.4010 13.4010 13.5418 13.5418 13.6354 13.6354 16.0669 16.0669 16.8037 16.8037 17.2971 17.2971 18.2208 18.2208 k = 0.2981-0.1721 0.2434 ( 4692 PWs) bands (ev): -56.1302 -56.1302 -40.1405 -40.1405 -28.7758 -28.7758 -25.6239 -25.6239 -25.6181 -25.6181 -17.6779 -17.6779 -15.5848 -15.5848 -15.5722 -15.5722 4.6878 4.6878 9.4799 9.4799 11.5177 11.5177 11.6790 11.6790 12.0870 12.0870 12.6285 12.6285 13.3778 13.3778 13.5301 13.5301 13.6279 13.6279 16.0069 16.0069 16.7788 16.7788 17.2863 17.2863 18.1494 18.1494 k = 0.3077-0.1776 0.2512 ( 4692 PWs) bands (ev): -56.1302 -56.1302 -40.1406 -40.1406 -28.7759 -28.7759 -25.6242 -25.6242 -25.6182 -25.6182 -17.6778 -17.6778 -15.5853 -15.5853 -15.5721 -15.5721 4.7230 4.7230 9.4717 9.4717 11.5338 11.5338 11.6975 11.6975 12.0582 12.0582 12.6715 12.6715 13.3518 13.3518 13.5206 13.5206 13.6231 13.6231 15.9465 15.9465 16.7535 16.7535 17.2742 17.2742 18.0757 18.0757 k = 0.3173-0.1832 0.2591 ( 4696 PWs) bands (ev): -56.1302 -56.1302 -40.1406 -40.1406 -28.7760 -28.7760 -25.6245 -25.6245 -25.6183 -25.6183 -17.6777 -17.6777 -15.5858 -15.5858 -15.5720 -15.5720 4.7565 4.7565 9.4687 9.4687 11.5487 11.5487 11.7150 11.7150 12.0303 12.0303 12.7149 12.7149 13.3224 13.3224 13.5133 13.5133 13.6210 13.6210 15.8858 15.8858 16.7280 16.7280 17.2608 17.2608 18.0005 18.0005 k = 0.3269-0.1887 0.2669 ( 4696 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1407 -28.7761 -28.7761 -25.6248 -25.6248 -25.6183 -25.6183 -17.6777 -17.6777 -15.5863 -15.5863 -15.5719 -15.5719 4.7883 4.7883 9.4710 9.4710 11.5624 11.5624 11.7315 11.7315 12.0037 12.0037 12.7587 12.7587 13.2894 13.2894 13.5082 13.5082 13.6215 13.6215 15.8252 15.8252 16.7025 16.7025 17.2462 17.2462 17.9244 17.9244 k = 0.3365-0.1943 0.2748 ( 4700 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7761 -28.7761 -25.6251 -25.6251 -25.6184 -25.6184 -17.6776 -17.6776 -15.5868 -15.5868 -15.5718 -15.5718 4.8181 4.8181 9.4783 9.4783 11.5749 11.5749 11.7469 11.7469 11.9788 11.9788 12.8024 12.8024 13.2528 13.2528 13.5052 13.5052 13.6246 13.6246 15.7647 15.7647 16.6772 16.6772 17.2304 17.2304 17.8482 17.8482 k = 0.3462-0.1999 0.2826 ( 4708 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7762 -28.7762 -25.6254 -25.6254 -25.6184 -25.6184 -17.6775 -17.6775 -15.5872 -15.5872 -15.5717 -15.5717 4.8459 4.8459 9.4904 9.4904 11.5861 11.5861 11.7611 11.7611 11.9561 11.9561 12.8458 12.8458 13.2126 13.2126 13.5042 13.5042 13.6300 13.6300 15.7046 15.7046 16.6525 16.6525 17.2137 17.2137 17.7726 17.7726 k = 0.3558-0.2054 0.2905 ( 4700 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1409 -28.7762 -28.7762 -25.6257 -25.6257 -25.6184 -25.6184 -17.6775 -17.6775 -15.5876 -15.5876 -15.5716 -15.5716 4.8717 4.8717 9.5071 9.5071 11.5959 11.5959 11.7739 11.7739 11.9359 11.9359 12.8879 12.8879 13.1695 13.1695 13.5052 13.5052 13.6376 13.6376 15.6451 15.6451 16.6285 16.6285 17.1962 17.1962 17.6983 17.6983 k = 0.3654-0.2110 0.2983 ( 4692 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1409 -28.7763 -28.7763 -25.6259 -25.6259 -25.6185 -25.6185 -17.6774 -17.6774 -15.5880 -15.5880 -15.5716 -15.5716 4.8955 4.8955 9.5279 9.5279 11.6045 11.6045 11.7852 11.7852 11.9185 11.9185 12.9268 12.9268 13.1252 13.1252 13.5080 13.5080 13.6471 13.6471 15.5865 15.5865 16.6056 16.6056 17.1781 17.1781 17.6259 17.6259 k = 0.3750-0.2165 0.3062 ( 4696 PWs) bands (ev): -56.1300 -56.1300 -40.1410 -40.1410 -28.7763 -28.7763 -25.6261 -25.6261 -25.6185 -25.6185 -17.6774 -17.6774 -15.5884 -15.5884 -15.5715 -15.5715 4.9172 4.9172 9.5523 9.5523 11.6118 11.6118 11.7950 11.7950 11.9043 11.9043 12.9561 12.9561 13.0864 13.0864 13.5124 13.5124 13.6582 13.6582 15.5290 15.5290 16.5841 16.5841 17.1595 17.1595 17.5560 17.5560 k = 0.3846-0.2221 0.3140 ( 4704 PWs) bands (ev): -56.1300 -56.1300 -40.1410 -40.1410 -28.7764 -28.7764 -25.6264 -25.6264 -25.6186 -25.6186 -17.6773 -17.6773 -15.5888 -15.5888 -15.5714 -15.5714 4.9369 4.9369 9.5798 9.5798 11.6180 11.6180 11.8031 11.8031 11.8936 11.8936 12.9549 12.9549 13.0737 13.0737 13.5182 13.5182 13.6707 13.6707 15.4731 15.4731 16.5640 16.5640 17.1407 17.1407 17.4892 17.4892 k = 0.3942-0.2276 0.3219 ( 4704 PWs) bands (ev): -56.1300 -56.1300 -40.1411 -40.1411 -28.7765 -28.7765 -25.6266 -25.6266 -25.6186 -25.6186 -17.6773 -17.6773 -15.5891 -15.5891 -15.5713 -15.5713 4.9546 4.9546 9.6097 9.6097 11.6231 11.6231 11.8098 11.8098 11.8865 11.8865 12.9158 12.9158 13.0951 13.0951 13.5253 13.5253 13.6842 13.6842 15.4189 15.4189 16.5456 16.5456 17.1218 17.1218 17.4260 17.4260 k = 0.4038-0.2332 0.3297 ( 4704 PWs) bands (ev): -56.1300 -56.1300 -40.1411 -40.1411 -28.7765 -28.7765 -25.6268 -25.6268 -25.6187 -25.6187 -17.6773 -17.6773 -15.5895 -15.5895 -15.5713 -15.5713 4.9703 4.9703 9.6414 9.6414 11.6273 11.6273 11.8153 11.8153 11.8828 11.8828 12.8607 12.8607 13.1287 13.1287 13.5331 13.5331 13.6984 13.6984 15.3670 15.3670 16.5291 16.5291 17.1029 17.1029 17.3670 17.3670 k = 0.4135-0.2387 0.3376 ( 4712 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1412 -28.7766 -28.7766 -25.6270 -25.6270 -25.6187 -25.6187 -17.6772 -17.6772 -15.5898 -15.5898 -15.5712 -15.5712 4.9842 4.9842 9.6740 9.6740 11.6308 11.6308 11.8203 11.8203 11.8818 11.8818 12.8001 12.8001 13.1646 13.1646 13.5416 13.5416 13.7129 13.7129 15.3177 15.3177 16.5144 16.5144 17.0842 17.0842 17.3128 17.3128 k = 0.4231-0.2443 0.3454 ( 4704 PWs) bands (ev): -56.1299 -56.1299 -40.1412 -40.1412 -28.7766 -28.7766 -25.6271 -25.6271 -25.6187 -25.6187 -17.6772 -17.6772 -15.5900 -15.5900 -15.5712 -15.5712 4.9964 4.9964 9.7067 9.7067 11.6337 11.6337 11.8257 11.8257 11.8829 11.8829 12.7374 12.7374 13.1998 13.1998 13.5504 13.5504 13.7272 13.7272 15.2715 15.2715 16.5016 16.5016 17.0657 17.0657 17.2636 17.2636 k = 0.4327-0.2498 0.3533 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1412 -40.1412 -28.7766 -28.7766 -25.6273 -25.6273 -25.6187 -25.6187 -17.6772 -17.6772 -15.5903 -15.5903 -15.5711 -15.5711 5.0068 5.0068 9.7385 9.7385 11.6361 11.6361 11.8320 11.8320 11.8855 11.8855 12.6745 12.6745 13.2332 13.2332 13.5591 13.5591 13.7411 13.7411 15.2289 15.2289 16.4907 16.4907 17.0475 17.0475 17.2196 17.2196 k = 0.4423-0.2554 0.3611 ( 4724 PWs) bands (ev): -56.1299 -56.1299 -40.1412 -40.1412 -28.7767 -28.7767 -25.6274 -25.6274 -25.6188 -25.6188 -17.6772 -17.6772 -15.5905 -15.5905 -15.5711 -15.5711 5.0157 5.0157 9.7687 9.7687 11.6383 11.6383 11.8394 11.8394 11.8892 11.8892 12.6130 12.6130 13.2638 13.2638 13.5674 13.5674 13.7542 13.7542 15.1904 15.1904 16.4815 16.4815 17.0298 17.0298 17.1809 17.1809 k = 0.4519-0.2609 0.3690 ( 4740 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6275 -25.6275 -25.6189 -25.6189 -17.6771 -17.6771 -15.5907 -15.5907 -15.5711 -15.5711 5.0230 5.0230 9.7961 9.7961 11.6402 11.6402 11.8474 11.8474 11.8940 11.8940 12.5547 12.5547 13.2911 13.2911 13.5750 13.5750 13.7660 13.7660 15.1566 15.1566 16.4740 16.4740 17.0132 17.0132 17.1469 17.1469 k = 0.4615-0.2665 0.3768 ( 4748 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6276 -25.6276 -25.6189 -25.6189 -17.6771 -17.6771 -15.5908 -15.5908 -15.5710 -15.5710 5.0289 5.0289 9.8200 9.8200 11.6419 11.6419 11.8554 11.8554 11.9002 11.9002 12.5014 12.5014 13.3143 13.3143 13.5817 13.5817 13.7761 13.7761 15.1279 15.1279 16.4681 16.4681 16.9981 16.9981 17.1177 17.1177 k = 0.4712-0.2720 0.3847 ( 4732 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6277 -25.6277 -25.6189 -25.6189 -17.6771 -17.6771 -15.5909 -15.5909 -15.5710 -15.5710 5.0334 5.0334 9.8395 9.8395 11.6432 11.6432 11.8620 11.8620 11.9077 11.9077 12.4555 12.4555 13.3331 13.3331 13.5871 13.5871 13.7844 13.7844 15.1050 15.1050 16.4637 16.4637 16.9853 16.9853 17.0937 17.0937 k = 0.4808-0.2776 0.3925 ( 4728 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6277 -25.6277 -25.6189 -25.6189 -17.6771 -17.6771 -15.5910 -15.5910 -15.5710 -15.5710 5.0366 5.0366 9.8539 9.8539 11.6442 11.6442 11.8667 11.8667 11.9155 11.9155 12.4196 12.4196 13.3468 13.3468 13.5912 13.5912 13.7905 13.7905 15.0883 15.0883 16.4606 16.4606 16.9755 16.9755 17.0760 17.0760 k = 0.4904-0.2831 0.4004 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6278 -25.6278 -25.6188 -25.6188 -17.6771 -17.6771 -15.5911 -15.5911 -15.5710 -15.5710 5.0385 5.0385 9.8628 9.8628 11.6449 11.6449 11.8694 11.8694 11.9216 11.9216 12.3964 12.3964 13.3552 13.3552 13.5936 13.5936 13.7943 13.7943 15.0781 15.0781 16.4588 16.4588 16.9694 16.9694 17.0650 17.0650 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6278 -25.6278 -25.6188 -25.6188 -17.6771 -17.6771 -15.5911 -15.5911 -15.5710 -15.5710 5.0391 5.0391 9.8658 9.8658 11.6451 11.6451 11.8702 11.8702 11.9239 11.9239 12.3884 12.3884 13.3580 13.3580 13.5945 13.5945 13.7956 13.7956 15.0747 15.0747 16.4582 16.4582 16.9674 16.9674 17.0613 17.0613 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6278 -25.6278 -25.6188 -25.6188 -17.6771 -17.6771 -15.5911 -15.5911 -15.5710 -15.5710 5.0391 5.0391 9.8658 9.8658 11.6451 11.6451 11.8702 11.8702 11.9239 11.9239 12.3884 12.3884 13.3580 13.3580 13.5945 13.5945 13.7956 13.7956 15.0747 15.0747 16.4582 16.4582 16.9674 16.9674 17.0613 17.0613 k = 0.5000-0.2776 0.4161 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7771 -28.7765 -25.6278 -25.6277 -25.6193 -25.6184 -17.6776 -17.6766 -15.5915 -15.5906 -15.5712 -15.5708 5.0387 5.0403 9.8653 9.8674 11.6178 11.6625 11.8496 11.8572 11.9270 11.9600 12.3879 12.3884 13.3491 13.3629 13.5915 13.5963 13.7918 13.7969 15.0809 15.0812 16.4562 16.4597 16.9547 16.9782 17.0590 17.0635 k = 0.5000-0.2665 0.4240 ( 4728 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7774 -28.7762 -25.6279 -25.6278 -25.6197 -25.6179 -17.6780 -17.6762 -15.5919 -15.5901 -15.5714 -15.5707 5.0391 5.0422 9.8658 9.8700 11.5826 11.6680 11.8106 11.8391 11.9556 12.0045 12.3870 12.3880 13.3370 13.3633 13.5854 13.5967 13.7866 13.7974 15.0995 15.0999 16.4537 16.4608 16.9412 16.9852 17.0582 17.0643 k = 0.5000-0.2554 0.4318 ( 4730 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7777 -28.7759 -25.6280 -25.6278 -25.6200 -25.6174 -17.6784 -17.6757 -15.5923 -15.5896 -15.5716 -15.5706 5.0401 5.0448 9.8674 9.8736 11.5416 11.6591 11.7746 11.8214 11.9913 12.0498 12.3856 12.3872 13.3226 13.3595 13.5733 13.5932 13.7834 13.8003 15.1292 15.1295 16.4507 16.4614 16.9273 16.9866 17.0591 17.0632 k = 0.5000-0.2443 0.4397 ( 4734 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7780 -28.7756 -25.6281 -25.6279 -25.6204 -25.6169 -17.6789 -17.6753 -15.5927 -15.5891 -15.5718 -15.5704 5.0419 5.0481 9.8699 9.8783 11.4965 11.6337 11.7473 11.8040 12.0305 12.0944 12.3839 12.3861 13.3065 13.3519 13.5534 13.5820 13.7871 13.8084 15.1683 15.1685 16.4473 16.4616 16.9132 16.9818 17.0534 17.0601 k = 0.5000-0.2332 0.4475 ( 4734 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7783 -28.7753 -25.6283 -25.6280 -25.6206 -25.6164 -17.6793 -17.6748 -15.5930 -15.5885 -15.5721 -15.5704 5.0443 5.0521 9.8735 9.8841 11.4487 11.5952 11.7272 11.7861 12.0714 12.1377 12.3818 12.3849 13.2894 13.3413 13.5256 13.5611 13.8006 13.8229 15.2143 15.2154 16.4433 16.4614 16.8987 16.9726 17.0409 17.0548 k = 0.5000-0.2221 0.4554 ( 4726 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7786 -28.7750 -25.6284 -25.6282 -25.6208 -25.6159 -17.6797 -17.6744 -15.5933 -15.5880 -15.5723 -15.5703 5.0474 5.0567 9.8780 9.8908 11.3992 11.5496 11.7095 11.7673 12.1130 12.1791 12.3793 12.3838 13.2715 13.3284 13.4917 13.5319 13.8236 13.8434 15.2658 15.2680 16.4388 16.4607 16.8838 16.9602 17.0259 17.0476 k = 0.5000-0.2110 0.4632 ( 4728 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7788 -28.7747 -25.6285 -25.6284 -25.6210 -25.6154 -17.6801 -17.6739 -15.5936 -15.5874 -15.5726 -15.5703 5.0511 5.0619 9.8835 9.8986 11.3486 11.5006 11.6913 11.7471 12.1547 12.2181 12.3767 12.3834 13.2530 13.3137 13.4541 13.4973 13.8541 13.8687 15.3210 15.3247 16.4338 16.4595 16.8684 16.9458 17.0093 17.0385 k = 0.5000-0.1999 0.4711 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7791 -28.7744 -25.6286 -25.6286 -25.6211 -25.6149 -17.6805 -17.6735 -15.5939 -15.5868 -15.5728 -15.5703 5.0553 5.0676 9.8899 9.9074 11.2975 11.4502 11.6714 11.7254 12.1958 12.2536 12.3741 12.3848 13.2339 13.2975 13.4148 13.4599 13.8902 13.8979 15.3787 15.3840 16.4281 16.4580 16.8522 16.9297 16.9915 17.0279 k = 0.5000-0.1887 0.4789 ( 4708 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7793 -28.7741 -25.6288 -25.6287 -25.6211 -25.6144 -17.6809 -17.6731 -15.5941 -15.5862 -15.5731 -15.5703 5.0600 5.0737 9.8972 9.9172 11.2463 11.3995 11.6495 11.7022 12.2358 12.2835 12.3717 12.3901 13.2141 13.2801 13.3757 13.4220 13.9299 13.9303 15.4377 15.4449 16.4218 16.4560 16.8352 16.9122 16.9726 17.0159 k = 0.5000-0.1776 0.4868 ( 4716 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7796 -28.7739 -25.6292 -25.6289 -25.6212 -25.6139 -17.6812 -17.6727 -15.5944 -15.5856 -15.5733 -15.5703 5.0651 5.0802 9.9054 9.9280 11.1953 11.3490 11.6256 11.6775 12.2737 12.3047 12.3704 12.4024 13.1935 13.2616 13.3382 13.3849 13.9641 13.9734 15.4971 15.5063 16.4149 16.4536 16.8172 16.8935 16.9527 17.0027 k = 0.5000-0.1665 0.4946 ( 4704 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7798 -28.7736 -25.6294 -25.6290 -25.6212 -25.6134 -17.6816 -17.6723 -15.5946 -15.5849 -15.5736 -15.5704 5.0705 5.0870 9.9143 9.9397 11.1448 11.2992 11.5999 11.6515 12.3071 12.3158 12.3726 12.4234 13.1721 13.2421 13.3030 13.3497 13.9998 14.0185 15.5564 15.5678 16.4072 16.4507 16.7981 16.8737 16.9319 16.9886 k = 0.5000-0.1554 0.5025 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7800 -28.7734 -25.6297 -25.6291 -25.6212 -25.6130 -17.6819 -17.6719 -15.5947 -15.5843 -15.5738 -15.5705 5.0762 5.0939 9.9239 9.9522 11.0952 11.2505 11.5728 11.6246 12.3195 12.3291 12.3851 12.4504 13.1498 13.2218 13.2710 13.3169 14.0365 14.0649 15.6151 15.6288 16.3988 16.4475 16.7778 16.8527 16.9105 16.9739 k = 0.5000-0.1443 0.5103 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7802 -28.7732 -25.6300 -25.6293 -25.6212 -25.6125 -17.6822 -17.6715 -15.5949 -15.5836 -15.5741 -15.5707 5.0820 5.1010 9.9342 9.9657 11.0466 11.2031 11.5447 11.5970 12.3191 12.3363 12.4115 12.4804 13.1268 13.2007 13.2421 13.2869 14.0735 14.1120 15.6728 15.6889 16.3897 16.4439 16.7562 16.8306 16.8889 16.9587 k = 0.5000-0.1332 0.5182 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7805 -28.7730 -25.6304 -25.6294 -25.6211 -25.6121 -17.6825 -17.6712 -15.5950 -15.5830 -15.5743 -15.5709 5.0878 5.1080 9.9450 9.9798 10.9992 11.1574 11.5160 11.5690 12.3166 12.3363 12.4440 12.5115 13.1034 13.1794 13.2162 13.2595 14.1105 14.1591 15.7294 15.7480 16.3798 16.4399 16.7332 16.8070 16.8675 16.9434 k = 0.5000-0.1221 0.5260 ( 4696 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7806 -28.7728 -25.6306 -25.6295 -25.6211 -25.6117 -17.6828 -17.6709 -15.5952 -15.5823 -15.5746 -15.5711 5.0937 5.1150 9.9563 9.9947 10.9534 11.1135 11.4872 11.5412 12.3130 12.3341 12.4780 12.5427 13.0801 13.1581 13.1930 13.2345 14.1469 14.2056 15.7846 15.8060 16.3693 16.4356 16.7088 16.7817 16.8469 16.9283 k = 0.5000-0.1110 0.5339 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7808 -28.7726 -25.6309 -25.6296 -25.6211 -25.6114 -17.6830 -17.6706 -15.5953 -15.5817 -15.5748 -15.5713 5.0994 5.1217 9.9678 10.0100 10.9094 11.0719 11.4589 11.5139 12.3090 12.3310 12.5118 12.5737 13.0571 13.1371 13.1720 13.2115 14.1823 14.2508 15.8385 15.8629 16.3582 16.4311 16.6829 16.7543 16.8278 16.9135 k = 0.5000-0.0999 0.5417 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7810 -28.7725 -25.6312 -25.6298 -25.6211 -25.6111 -17.6832 -17.6703 -15.5954 -15.5810 -15.5750 -15.5716 5.1049 5.1282 9.9794 10.0258 10.8674 11.0327 11.4314 11.4875 12.3049 12.3277 12.5451 12.6041 13.0347 13.1167 13.1530 13.1905 14.2160 14.2943 15.8910 15.9185 16.3467 16.4264 16.6557 16.7246 16.8104 16.8994 k = 0.5000-0.0888 0.5496 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7812 -28.7723 -25.6315 -25.6298 -25.6210 -25.6108 -17.6834 -17.6700 -15.5954 -15.5804 -15.5752 -15.5719 5.1101 5.1343 9.9908 10.0417 10.8277 10.9963 11.4054 11.4626 12.3009 12.3245 12.5775 12.6338 13.0129 13.0968 13.1358 13.1714 14.2478 14.3354 15.9420 15.9729 16.3350 16.4216 16.6271 16.6928 16.7951 16.8861 k = 0.5000-0.0777 0.5574 ( 4694 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7813 -28.7721 -25.6317 -25.6299 -25.6209 -25.6105 -17.6836 -17.6698 -15.5955 -15.5797 -15.5753 -15.5722 5.1149 5.1400 10.0020 10.0574 10.7908 10.9630 11.3812 11.4395 12.2971 12.3214 12.6090 12.6627 12.9917 13.0774 13.1203 13.1543 14.2772 14.3735 15.9915 16.0261 16.3233 16.4169 16.5973 16.6588 16.7818 16.8740 k = 0.5000-0.0666 0.5653 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7814 -28.7720 -25.6319 -25.6300 -25.6209 -25.6103 -17.6838 -17.6696 -15.5956 -15.5791 -15.5755 -15.5725 5.1193 5.1450 10.0125 10.0727 10.7570 10.9331 11.3594 11.4187 12.2937 12.3186 12.6394 12.6904 12.9710 13.0583 13.1066 13.1392 14.3036 14.4081 16.0393 16.0783 16.3122 16.4124 16.5662 16.6229 16.7704 16.8631 k = 0.5000-0.0555 0.5731 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7815 -28.7719 -25.6320 -25.6301 -25.6208 -25.6101 -17.6839 -17.6695 -15.5956 -15.5785 -15.5756 -15.5729 5.1231 5.1495 10.0221 10.0872 10.7269 10.9070 11.3402 11.4004 12.2906 12.3162 12.6685 12.7168 12.9506 13.0396 13.0947 13.1265 14.3268 14.4384 16.0853 16.1292 16.3018 16.4082 16.5343 16.5854 16.7611 16.8537 k = 0.5000-0.0444 0.5810 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7719 -25.6322 -25.6301 -25.6208 -25.6100 -17.6840 -17.6693 -15.5956 -15.5779 -15.5757 -15.5733 5.1263 5.1532 10.0306 10.1002 10.7009 10.8850 11.3241 11.3851 12.2881 12.3141 12.6961 12.7413 12.9306 13.0214 13.0848 13.1161 14.3463 14.4641 16.1291 16.1790 16.2926 16.4045 16.5020 16.5463 16.7535 16.8459 k = 0.5000-0.0333 0.5888 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6323 -25.6302 -25.6208 -25.6099 -17.6841 -17.6692 -15.5957 -15.5774 -15.5758 -15.5737 5.1288 5.1561 10.0375 10.1113 10.6797 10.8675 11.3112 11.3728 12.2861 12.3125 12.7215 12.7631 12.9113 13.0046 13.0771 13.1081 14.3618 14.4846 16.1698 16.2274 16.2850 16.4016 16.4700 16.5061 16.7478 16.8397 k = 0.5000-0.0222 0.5967 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6324 -25.6302 -25.6208 -25.6098 -17.6841 -17.6691 -15.5957 -15.5769 -15.5759 -15.5740 5.1307 5.1583 10.0427 10.1197 10.6640 10.8547 11.3018 11.3639 12.2846 12.3113 12.7435 12.7810 12.8937 12.9902 13.0714 13.1025 14.3730 14.4996 16.2056 16.2740 16.2794 16.3995 16.4402 16.4651 16.7437 16.8353 k = 0.5000-0.0111 0.6045 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5765 -15.5759 -15.5743 5.1318 5.1596 10.0459 10.1251 10.6543 10.8469 11.2962 11.3585 12.2837 12.3105 12.7598 12.7931 12.8802 12.9802 13.0681 13.0991 14.3799 14.5087 16.2325 16.2758 16.3172 16.3990 16.4161 16.4255 16.7413 16.8326 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7717 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5764 -15.5759 -15.5745 5.1322 5.1600 10.0470 10.1269 10.6510 10.8443 11.2943 11.3567 12.2834 12.3103 12.7662 12.7974 12.8747 12.9766 13.0669 13.0980 14.3822 14.5118 16.2432 16.2746 16.3425 16.4013 16.4016 16.4037 16.7405 16.8317 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7717 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5764 -15.5759 -15.5745 5.1322 5.1600 10.0470 10.1269 10.6510 10.8443 11.2943 11.3567 12.2834 12.3103 12.7662 12.7974 12.8747 12.9766 13.0669 13.0980 14.3822 14.5118 16.2432 16.2746 16.3425 16.4013 16.4016 16.4037 16.7405 16.8317 k = 0.4934 0.0114 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7718 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5765 -15.5759 -15.5744 5.1320 5.1598 10.0467 10.1263 10.6507 10.8438 11.2935 11.3559 12.2840 12.3120 12.7646 12.7968 12.8780 12.9788 13.0680 13.0990 14.3795 14.5085 16.2217 16.2902 16.3229 16.3917 16.4117 16.4348 16.7418 16.8332 k = 0.4868 0.0228 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6325 -25.6302 -25.6208 -25.6098 -17.6842 -17.6691 -15.5957 -15.5767 -15.5759 -15.5741 5.1315 5.1593 10.0458 10.1246 10.6497 10.8420 11.2911 11.3532 12.2855 12.3167 12.7618 12.7961 12.8866 12.9853 13.0708 13.1014 14.3714 14.4986 16.1918 16.2888 16.3089 16.3836 16.4371 16.4825 16.7452 16.8371 k = 0.4803 0.0342 0.6124 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6325 -25.6301 -25.6208 -25.6098 -17.6841 -17.6692 -15.5957 -15.5770 -15.5760 -15.5738 5.1308 5.1584 10.0446 10.1223 10.6480 10.8391 11.2868 11.3481 12.2877 12.3236 12.7611 12.7968 12.8986 12.9952 13.0745 13.1052 14.3575 14.4816 16.1641 16.2619 16.3154 16.3779 16.4746 16.5324 16.7503 16.8430 k = 0.4737 0.0456 0.6124 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6325 -25.6299 -25.6208 -25.6099 -17.6841 -17.6692 -15.5956 -15.5773 -15.5761 -15.5734 5.1298 5.1573 10.0433 10.1196 10.6458 10.8352 11.2804 11.3405 12.2903 12.3318 12.7645 12.8004 12.9126 13.0074 13.0791 13.1101 14.3378 14.4577 16.1399 16.2372 16.3214 16.3753 16.5181 16.5826 16.7566 16.8503 k = 0.4671 0.0570 0.6124 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6325 -25.6298 -25.6207 -25.6100 -17.6840 -17.6693 -15.5956 -15.5776 -15.5762 -15.5730 5.1287 5.1560 10.0421 10.1166 10.6431 10.8305 11.2717 11.3303 12.2932 12.3405 12.7730 12.8078 12.9276 13.0211 13.0843 13.1163 14.3123 14.4270 16.1193 16.2158 16.3289 16.3761 16.5641 16.6326 16.7638 16.8586 k = 0.4605 0.0684 0.6124 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7815 -28.7719 -25.6325 -25.6296 -25.6207 -25.6101 -17.6840 -17.6694 -15.5955 -15.5779 -15.5763 -15.5726 5.1275 5.1546 10.0412 10.1136 10.6402 10.8254 11.2608 11.3176 12.2963 12.3490 12.7870 12.8196 12.9431 13.0354 13.0903 13.1238 14.2813 14.3899 16.1020 16.1974 16.3391 16.3809 16.6111 16.6815 16.7719 16.8675 k = 0.4539 0.0798 0.6124 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7815 -28.7719 -25.6325 -25.6294 -25.6207 -25.6102 -17.6839 -17.6694 -15.5955 -15.5782 -15.5763 -15.5723 5.1262 5.1531 10.0404 10.1106 10.6375 10.8201 11.2477 11.3026 12.2994 12.3570 12.8059 12.8361 12.9587 13.0498 13.0972 13.1328 14.2451 14.3469 16.0875 16.1816 16.3528 16.3899 16.6579 16.7280 16.7816 16.8770 k = 0.4474 0.0912 0.6124 ( 4694 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7814 -28.7719 -25.6325 -25.6292 -25.6207 -25.6104 -17.6838 -17.6695 -15.5954 -15.5785 -15.5764 -15.5719 5.1249 5.1515 10.0400 10.1077 10.6350 10.8150 11.2328 11.2856 12.3026 12.3643 12.8286 12.8573 12.9743 13.0639 13.1051 13.1433 14.2043 14.2987 16.0753 16.1679 16.3700 16.4030 16.7039 16.7656 16.7989 16.8871 k = 0.4408 0.1026 0.6124 ( 4689 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7813 -28.7720 -25.6326 -25.6290 -25.6206 -25.6105 -17.6837 -17.6696 -15.5954 -15.5788 -15.5765 -15.5716 5.1235 5.1500 10.0399 10.1049 10.6331 10.8101 11.2163 11.2672 12.3058 12.3709 12.8533 12.8829 12.9902 13.0775 13.1147 13.1552 14.1595 14.2462 16.0651 16.1560 16.3903 16.4199 16.7480 16.7833 16.8342 16.8982 k = 0.4342 0.1140 0.6124 ( 4695 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7813 -28.7721 -25.6326 -25.6288 -25.6206 -25.6107 -17.6837 -17.6697 -15.5953 -15.5791 -15.5765 -15.5713 5.1223 5.1485 10.0400 10.1022 10.6318 10.8058 11.1986 11.2479 12.3089 12.3767 12.8784 12.9111 13.0074 13.0906 13.1266 13.1681 14.1113 14.1901 16.0563 16.1456 16.4132 16.4401 16.7876 16.7938 16.8750 16.9121 k = 0.4276 0.1253 0.6124 ( 4699 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7812 -28.7721 -25.6326 -25.6286 -25.6206 -25.6109 -17.6836 -17.6698 -15.5953 -15.5793 -15.5766 -15.5710 5.1210 5.1470 10.0405 10.0997 10.6312 10.8022 11.1803 11.2282 12.3120 12.3819 12.9028 12.9386 13.0280 13.1034 13.1416 13.1818 14.0606 14.1316 16.0487 16.1364 16.4377 16.4628 16.7980 16.8264 16.9104 16.9346 k = 0.4211 0.1367 0.6124 ( 4705 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7812 -28.7722 -25.6326 -25.6284 -25.6206 -25.6110 -17.6835 -17.6699 -15.5952 -15.5796 -15.5766 -15.5707 5.1199 5.1457 10.0412 10.0973 10.6315 10.7994 11.1619 11.2088 12.3150 12.3864 12.9254 12.9612 13.0537 13.1166 13.1602 13.1959 14.0082 14.0715 16.0422 16.1284 16.4627 16.4871 16.8034 16.8548 16.9379 16.9693 k = 0.4145 0.1481 0.6124 ( 4697 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6326 -25.6282 -25.6206 -25.6112 -17.6834 -17.6700 -15.5952 -15.5798 -15.5767 -15.5705 5.1189 5.1444 10.0420 10.0951 10.6324 10.7974 11.1442 11.1902 12.3178 12.3902 12.9453 12.9772 13.0824 13.1327 13.1824 13.2109 13.9549 14.0112 16.0367 16.1216 16.4872 16.5118 16.8077 16.8742 16.9674 17.0069 k = 0.4079 0.1595 0.6124 ( 4707 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7723 -25.6327 -25.6281 -25.6205 -25.6113 -17.6834 -17.6701 -15.5951 -15.5799 -15.5767 -15.5703 5.1180 5.1434 10.0429 10.0930 10.6338 10.7961 11.1276 11.1731 12.3203 12.3935 12.9618 12.9877 13.1060 13.1558 13.2071 13.2284 13.9019 13.9521 16.0321 16.1157 16.5101 16.5356 16.8111 16.8863 17.0005 17.0430 k = 0.4013 0.1709 0.6124 ( 4705 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6327 -25.6279 -25.6205 -25.6115 -17.6833 -17.6701 -15.5951 -15.5801 -15.5767 -15.5702 5.1172 5.1424 10.0438 10.0913 10.6356 10.7954 11.1129 11.1581 12.3225 12.3962 12.9748 12.9947 13.1206 13.1829 13.2332 13.2514 13.8504 13.8962 16.0283 16.1110 16.5305 16.5573 16.8137 16.8940 17.0346 17.0762 k = 0.3947 0.1823 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6278 -25.6205 -25.6116 -17.6833 -17.6702 -15.5951 -15.5802 -15.5767 -15.5700 5.1166 5.1417 10.0447 10.0898 10.6374 10.7952 11.1007 11.1457 12.3243 12.3984 12.9844 12.9991 13.1297 13.2033 13.2616 13.2801 13.8022 13.8463 16.0254 16.1072 16.5474 16.5756 16.8155 16.8991 17.0675 17.1052 k = 0.3882 0.1937 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6278 -25.6205 -25.6117 -17.6832 -17.6702 -15.5950 -15.5803 -15.5767 -15.5699 5.1162 5.1412 10.0454 10.0886 10.6390 10.7952 11.0916 11.1364 12.3256 12.3999 12.9911 13.0018 13.1355 13.2151 13.2885 13.3102 13.7604 13.8059 16.0233 16.1046 16.5601 16.5894 16.8167 16.9023 17.0968 17.1283 k = 0.3816 0.2051 0.6124 ( 4708 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6204 -25.6117 -17.6832 -17.6703 -15.5950 -15.5803 -15.5767 -15.5699 5.1159 5.1409 10.0458 10.0879 10.6400 10.7953 11.0859 11.1306 12.3264 12.4008 12.9952 13.0032 13.1388 13.2211 13.3074 13.3344 13.7305 13.7792 16.0220 16.1030 16.5679 16.5981 16.8174 16.9041 17.1191 17.1435 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.3682 0.2126 0.6012 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6329 -25.6276 -25.6203 -25.6116 -17.6833 -17.6701 -15.5950 -15.5798 -15.5771 -15.5699 5.1205 5.1463 10.0672 10.1141 10.5702 10.7271 11.0329 11.0759 12.3360 12.4105 13.0285 13.0458 13.1414 13.2162 13.3169 13.3637 13.7223 13.7729 15.9717 16.0586 16.6825 16.7161 16.8316 16.9117 17.1453 17.1588 k = 0.3614 0.2086 0.5901 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6331 -25.6275 -25.6202 -25.6115 -17.6834 -17.6700 -15.5949 -15.5793 -15.5773 -15.5699 5.1244 5.1510 10.0884 10.1422 10.5006 10.6612 10.9828 11.0243 12.3456 12.4205 13.0394 13.0818 13.1403 13.2077 13.3348 13.4006 13.7261 13.7768 15.9224 16.0150 16.7857 16.8193 16.8496 16.9255 17.1657 17.1710 k = 0.3545 0.2047 0.5790 ( 4708 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7812 -28.7721 -25.6333 -25.6274 -25.6201 -25.6114 -17.6835 -17.6699 -15.5948 -15.5790 -15.5774 -15.5699 5.1274 5.1546 10.1087 10.1720 10.4321 10.5990 10.9339 10.9741 12.3552 12.4306 13.0416 13.1029 13.1345 13.1978 13.3687 13.4504 13.7308 13.7816 15.8746 15.9725 16.8569 16.8891 16.8913 16.9624 17.1859 17.1893 k = 0.3477 0.2008 0.5678 ( 4716 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7812 -28.7721 -25.6334 -25.6273 -25.6200 -25.6114 -17.6836 -17.6698 -15.5947 -15.5790 -15.5773 -15.5699 5.1293 5.1570 10.1265 10.2034 10.3652 10.5428 10.8865 10.9253 12.3646 12.4408 13.0391 13.1117 13.1251 13.1873 13.4142 13.5076 13.7364 13.7873 15.8289 15.9319 16.8836 16.9176 16.9657 17.0247 17.2035 17.2162 k = 0.3409 0.1968 0.5567 ( 4696 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7812 -28.7720 -25.6334 -25.6271 -25.6198 -25.6114 -17.6836 -17.6697 -15.5946 -15.5792 -15.5769 -15.5699 5.1299 5.1580 10.1390 10.2359 10.3010 10.4956 10.8407 10.8784 12.3735 12.4505 13.0341 13.1124 13.1133 13.1770 13.4658 13.5678 13.7430 13.7938 15.7863 15.8940 16.9090 16.9367 17.0287 17.0794 17.2239 17.2463 k = 0.3341 0.1929 0.5456 ( 4694 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7812 -28.7719 -25.6334 -25.6269 -25.6197 -25.6114 -17.6836 -17.6697 -15.5945 -15.5795 -15.5764 -15.5699 5.1290 5.1574 10.1424 10.2350 10.2743 10.4616 10.7967 10.8333 12.3817 12.4595 13.0277 13.1004 13.1082 13.1671 13.5191 13.6281 13.7506 13.8013 15.7476 15.8597 16.9371 16.9564 17.0777 17.1197 17.2470 17.2794 k = 0.3273 0.1890 0.5344 ( 4694 PWs) bands (ev): -56.1300 -56.1299 -40.1413 -40.1411 -28.7811 -28.7719 -25.6334 -25.6267 -25.6196 -25.6115 -17.6836 -17.6697 -15.5943 -15.5798 -15.5760 -15.5699 5.1264 5.1551 10.1334 10.1771 10.3091 10.4447 10.7548 10.7904 12.3889 12.4674 13.0205 13.0869 13.1013 13.1577 13.5712 13.6861 13.7592 13.8098 15.7138 15.8296 16.9686 16.9789 17.1155 17.1490 17.2726 17.3155 k = 0.3205 0.1850 0.5233 ( 4700 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7811 -28.7719 -25.6333 -25.6265 -25.6195 -25.6116 -17.6836 -17.6698 -15.5941 -15.5801 -15.5755 -15.5699 5.1221 5.1508 10.1118 10.1213 10.3466 10.4451 10.7152 10.7499 12.3948 12.4740 13.0129 13.0732 13.0930 13.1485 13.6203 13.7401 13.7688 13.8196 15.6857 15.8046 17.0035 17.0050 17.1450 17.1708 17.3007 17.3545 k = 0.3136 0.1811 0.5122 ( 4712 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7811 -28.7720 -25.6332 -25.6264 -25.6195 -25.6117 -17.6836 -17.6698 -15.5939 -15.5804 -15.5750 -15.5698 5.1157 5.1444 10.0692 10.0811 10.3853 10.4593 10.6785 10.7121 12.3994 12.4789 13.0052 13.0597 13.0841 13.1393 13.6649 13.7794 13.7874 13.8319 15.6642 15.7853 17.0350 17.0421 17.1687 17.1875 17.3314 17.3964 k = 0.3068 0.1771 0.5010 ( 4714 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7810 -28.7720 -25.6331 -25.6262 -25.6194 -25.6119 -17.6835 -17.6699 -15.5936 -15.5807 -15.5746 -15.5698 5.1073 5.1357 10.0213 10.0461 10.4245 10.4818 10.6456 10.6776 12.4024 12.4818 12.9977 13.0462 13.0753 13.1299 13.7040 13.7911 13.8219 13.8519 15.6502 15.7724 17.0692 17.0841 17.1880 17.2007 17.3649 17.4413 k = 0.3000 0.1732 0.4899 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7809 -28.7720 -25.6329 -25.6259 -25.6193 -25.6120 -17.6834 -17.6701 -15.5934 -15.5810 -15.5742 -15.5698 5.0966 5.1246 9.9778 10.0103 10.4629 10.5065 10.6197 10.6476 12.4038 12.4826 12.9907 13.0329 13.0669 13.1202 13.7369 13.8038 13.8404 13.8817 15.6444 15.7665 17.1074 17.1293 17.2044 17.2112 17.4016 17.4889 k = 0.2932 0.1693 0.4788 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7807 -28.7721 -25.6326 -25.6257 -25.6192 -25.6122 -17.6834 -17.6702 -15.5931 -15.5812 -15.5738 -15.5699 5.0835 5.1110 9.9393 9.9759 10.4968 10.5216 10.6103 10.6259 12.4034 12.4810 12.9843 13.0199 13.0590 13.1101 13.7634 13.8171 13.8537 13.9100 15.6471 15.7677 17.1496 17.1757 17.2198 17.2202 17.4416 17.5393 k = 0.2864 0.1653 0.4676 ( 4710 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1409 -28.7806 -28.7721 -25.6324 -25.6255 -25.6191 -25.6124 -17.6832 -17.6704 -15.5928 -15.5815 -15.5734 -15.5699 5.0680 5.0949 9.9058 9.9445 10.5150 10.5162 10.6223 10.6283 12.4013 12.4769 12.9786 13.0070 13.0519 13.0996 13.7839 13.8303 13.8659 13.9323 15.6586 15.7762 17.1941 17.2120 17.2283 17.2467 17.4850 17.5922 k = 0.2795 0.1614 0.4565 ( 4702 PWs) bands (ev): -56.1301 -56.1300 -40.1411 -40.1409 -28.7804 -28.7722 -25.6321 -25.6252 -25.6191 -25.6126 -17.6831 -17.6706 -15.5924 -15.5817 -15.5730 -15.5699 5.0499 5.0760 9.8775 9.9168 10.4964 10.5132 10.6446 10.6633 12.3975 12.4705 12.9735 12.9946 13.0454 13.0887 13.7991 13.8429 13.8776 13.9479 15.6786 15.7919 17.2237 17.2269 17.2539 17.2951 17.5321 17.6474 k = 0.2727 0.1575 0.4454 ( 4694 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1408 -28.7803 -28.7722 -25.6317 -25.6249 -25.6190 -25.6128 -17.6830 -17.6708 -15.5921 -15.5819 -15.5727 -15.5699 5.0292 5.0545 9.8547 9.8935 10.4753 10.4981 10.6825 10.7050 12.3921 12.4616 12.9680 12.9835 13.0398 13.0773 13.8091 13.8549 13.8887 13.9576 15.7067 15.8144 17.2300 17.2346 17.3051 17.3509 17.5828 17.7045 k = 0.2659 0.1535 0.4342 ( 4690 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1408 -28.7801 -28.7723 -25.6313 -25.6246 -25.6189 -25.6131 -17.6829 -17.6711 -15.5917 -15.5820 -15.5725 -15.5699 5.0060 5.0304 9.8374 9.8749 10.4550 10.4802 10.7264 10.7499 12.3853 12.4506 12.9596 12.9762 13.0348 13.0655 13.8136 13.8671 13.8984 13.9625 15.7422 15.8432 17.2323 17.2396 17.3622 17.4093 17.6370 17.7629 k = 0.2591 0.1496 0.4231 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1408 -28.7799 -28.7724 -25.6309 -25.6244 -25.6189 -25.6133 -17.6827 -17.6713 -15.5913 -15.5821 -15.5722 -15.5699 4.9802 5.0036 9.8256 9.8613 10.4365 10.4627 10.7728 10.7965 12.3773 12.4376 12.9478 12.9734 13.0303 13.0534 13.8128 13.8800 13.9053 13.9651 15.7840 15.8776 17.2330 17.2427 17.4227 17.4687 17.6942 17.8217 k = 0.2523 0.1456 0.4120 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1407 -28.7797 -28.7725 -25.6305 -25.6241 -25.6188 -25.6136 -17.6826 -17.6716 -15.5908 -15.5822 -15.5720 -15.5700 4.9520 4.9742 9.8194 9.8527 10.4200 10.4468 10.8203 10.8440 12.3684 12.4230 12.9343 12.9730 13.0256 13.0417 13.8073 13.8936 13.9072 13.9684 15.8312 15.9169 17.2323 17.2443 17.4859 17.5286 17.7539 17.8800 k = 0.2455 0.1417 0.4008 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1409 -40.1407 -28.7795 -28.7726 -25.6301 -25.6238 -25.6187 -25.6139 -17.6824 -17.6719 -15.5904 -15.5823 -15.5718 -15.5700 4.9213 4.9424 9.8186 9.8493 10.4060 10.4331 10.8683 10.8919 12.3588 12.4070 12.9199 12.9743 13.0181 13.0329 13.7982 13.9026 13.9079 13.9749 15.8827 15.9601 17.2305 17.2445 17.5513 17.5883 17.8148 17.9362 k = 0.2386 0.1378 0.3897 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1408 -40.1406 -28.7793 -28.7727 -25.6296 -25.6235 -25.6187 -25.6141 -17.6822 -17.6722 -15.5899 -15.5823 -15.5716 -15.5701 4.8884 4.9082 9.8232 9.8509 10.3943 10.4217 10.9160 10.9395 12.3488 12.3901 12.9047 12.9769 13.0060 13.0289 13.7864 13.8926 13.9226 13.9844 15.9375 16.0066 17.2277 17.2435 17.6183 17.6473 17.8753 17.9887 k = 0.2318 0.1338 0.3786 ( 4708 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1406 -28.7791 -28.7729 -25.6291 -25.6232 -25.6186 -25.6144 -17.6821 -17.6726 -15.5894 -15.5823 -15.5715 -15.5701 4.8533 4.8719 9.8329 9.8575 10.3852 10.4127 10.9631 10.9864 12.3389 12.3725 12.8889 12.9808 12.9912 13.0276 13.7729 13.8793 13.9374 13.9959 15.9947 16.0556 17.2239 17.2415 17.6864 17.7053 17.9335 18.0356 k = 0.2250 0.1299 0.3674 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1405 -28.7789 -28.7730 -25.6286 -25.6229 -25.6186 -25.6147 -17.6819 -17.6729 -15.5889 -15.5823 -15.5714 -15.5702 4.8163 4.8336 9.8477 9.8690 10.3786 10.4062 11.0090 11.0321 12.3292 12.3547 12.8723 12.9751 12.9860 13.0278 13.7587 13.8642 13.9524 14.0085 16.0535 16.1063 17.2193 17.2385 17.7549 17.7616 17.9874 18.0748 k = 0.2182 0.1260 0.3563 ( 4702 PWs) bands (ev): -56.1303 -56.1303 -40.1406 -40.1404 -28.7786 -28.7731 -25.6280 -25.6226 -25.6185 -25.6149 -17.6817 -17.6732 -15.5884 -15.5822 -15.5713 -15.5703 4.7774 4.7935 9.8673 9.8851 10.3747 10.4023 11.0532 11.0758 12.3202 12.3370 12.8548 12.9577 12.9925 13.0293 13.7445 13.8488 13.9674 14.0216 16.1131 16.1582 17.2139 17.2347 17.8152 17.8230 18.0350 18.1047 k = 0.2114 0.1220 0.3452 ( 4710 PWs) bands (ev): -56.1303 -56.1303 -40.1405 -40.1404 -28.7784 -28.7732 -25.6275 -25.6223 -25.6185 -25.6152 -17.6816 -17.6736 -15.5878 -15.5821 -15.5712 -15.5704 4.7370 4.7518 9.8913 9.9055 10.3733 10.4010 11.0952 11.1172 12.3122 12.3198 12.8366 12.9393 13.0005 13.0323 13.7311 13.8340 13.9824 14.0349 16.1730 16.2107 17.2079 17.2301 17.8646 17.8891 18.0755 18.1249 k = 0.2045 0.1181 0.3340 ( 4716 PWs) bands (ev): -56.1303 -56.1303 -40.1405 -40.1403 -28.7782 -28.7733 -25.6270 -25.6220 -25.6184 -25.6154 -17.6814 -17.6739 -15.5873 -15.5820 -15.5712 -15.5705 4.6952 4.7088 9.9196 9.9301 10.3745 10.4023 11.1345 11.1556 12.3032 12.3052 12.8173 12.9197 13.0103 13.0368 13.7192 13.8205 13.9973 14.0483 16.2325 16.2633 17.2014 17.2249 17.9072 17.9508 18.1095 18.1366 k = 0.1977 0.1142 0.3229 ( 4720 PWs) bands (ev): -56.1303 -56.1303 -40.1404 -40.1403 -28.7780 -28.7734 -25.6264 -25.6218 -25.6184 -25.6157 -17.6812 -17.6743 -15.5867 -15.5819 -15.5712 -15.5706 4.6523 4.6647 9.9517 9.9586 10.3784 10.4062 11.1706 11.1905 12.2876 12.2996 12.7971 12.8989 13.0219 13.0433 13.7094 13.8090 14.0120 14.0616 16.2913 16.3156 17.1944 17.2191 17.9391 18.0014 18.1400 18.1462 k = 0.1909 0.1102 0.3118 ( 4720 PWs) bands (ev): -56.1304 -56.1304 -40.1403 -40.1402 -28.7778 -28.7735 -25.6259 -25.6215 -25.6184 -25.6159 -17.6811 -17.6747 -15.5861 -15.5817 -15.5712 -15.5707 4.6085 4.6197 9.9874 9.9905 10.3849 10.4128 11.2031 11.2213 12.2731 12.2952 12.7757 12.8769 13.0357 13.0520 13.7021 13.8001 14.0265 14.0748 16.3490 16.3673 17.1871 17.2130 17.9563 18.0273 18.1678 18.1711 k = 0.1841 0.1063 0.3006 ( 4720 PWs) bands (ev): -56.1304 -56.1304 -40.1402 -40.1401 -28.7775 -28.7736 -25.6253 -25.6212 -25.6183 -25.6161 -17.6809 -17.6750 -15.5855 -15.5815 -15.5712 -15.5708 4.5639 4.5741 10.0257 10.0263 10.3940 10.4220 11.2314 11.2478 12.2598 12.2918 12.7531 12.8535 13.0521 13.0636 13.6978 13.7940 14.0409 14.0877 16.4053 16.4180 17.1796 17.2066 17.9570 18.0223 18.2053 18.2088 k = 0.1773 0.1023 0.2895 ( 4724 PWs) bands (ev): -56.1304 -56.1304 -40.1402 -40.1401 -28.7773 -28.7737 -25.6248 -25.6209 -25.6183 -25.6163 -17.6808 -17.6754 -15.5849 -15.5813 -15.5713 -15.5710 4.5190 4.5281 10.0636 10.0679 10.4057 10.4339 11.2554 11.2696 12.2475 12.2893 12.7293 12.8288 13.0714 13.0785 13.6969 13.7913 14.0549 14.1004 16.4599 16.4675 17.1720 17.2000 17.9431 17.9975 18.2423 18.2592 k = 0.1705 0.0984 0.2784 ( 4724 PWs) bands (ev): -56.1305 -56.1305 -40.1401 -40.1400 -28.7771 -28.7738 -25.6242 -25.6206 -25.6182 -25.6165 -17.6807 -17.6757 -15.5843 -15.5810 -15.5714 -15.5711 4.4738 4.4819 10.1040 10.1119 10.4201 10.4483 11.2749 11.2868 12.2360 12.2871 12.7041 12.8026 13.0940 13.0973 13.6994 13.7920 14.0687 14.1128 16.5127 16.5157 17.1644 17.1933 17.9180 17.9623 18.2801 18.3109 k = 0.1636 0.0945 0.2672 ( 4733 PWs) bands (ev): -56.1305 -56.1305 -40.1400 -40.1399 -28.7769 -28.7739 -25.6237 -25.6204 -25.6182 -25.6167 -17.6805 -17.6760 -15.5837 -15.5807 -15.5715 -15.5712 4.4286 4.4358 10.1465 10.1579 10.4371 10.4655 11.2898 11.2993 12.2252 12.2846 12.6775 12.7748 13.1202 13.1206 13.7056 13.7964 14.0822 14.1249 16.5623 16.5636 17.1569 17.1866 17.8852 17.9213 18.3166 18.3603 k = 0.1568 0.0905 0.2561 ( 4725 PWs) bands (ev): -56.1305 -56.1305 -40.1399 -40.1399 -28.7766 -28.7740 -25.6232 -25.6201 -25.6181 -25.6168 -17.6804 -17.6764 -15.5831 -15.5804 -15.5716 -15.5714 4.3836 4.3900 10.1906 10.2053 10.4567 10.4853 11.3004 11.3075 12.2146 12.2813 12.6495 12.7455 13.1488 13.1503 13.7155 13.8044 14.0954 14.1366 16.6072 16.6124 17.1496 17.1800 17.8475 17.8773 18.3504 18.4054 k = 0.1500 0.0866 0.2449 ( 4719 PWs) bands (ev): -56.1305 -56.1305 -40.1398 -40.1398 -28.7764 -28.7741 -25.6226 -25.6198 -25.6180 -25.6170 -17.6803 -17.6767 -15.5825 -15.5801 -15.5717 -15.5716 4.3391 4.3447 10.2359 10.2539 10.4790 10.5079 11.3068 11.3116 12.2038 12.2765 12.6199 12.7146 13.1821 13.1845 13.7290 13.8161 14.1082 14.1479 16.6504 16.6591 17.1427 17.1737 17.8070 17.8320 18.3802 18.4453 k = 0.1432 0.0827 0.2338 ( 4727 PWs) bands (ev): -56.1306 -56.1306 -40.1398 -40.1397 -28.7762 -28.7741 -25.6221 -25.6196 -25.6180 -25.6171 -17.6802 -17.6770 -15.5818 -15.5798 -15.5718 -15.5717 4.2952 4.3001 10.2821 10.3031 10.5039 10.5332 11.3096 11.3121 12.1925 12.2699 12.5888 12.6820 13.2208 13.2231 13.7460 13.8312 14.1207 14.1588 16.6916 16.7035 17.1361 17.1677 17.7655 17.7868 18.4053 18.4791 k = 0.1364 0.0787 0.2227 ( 4733 PWs) bands (ev): -56.1306 -56.1306 -40.1397 -40.1396 -28.7761 -28.7742 -25.6217 -25.6194 -25.6180 -25.6172 -17.6801 -17.6773 -15.5812 -15.5794 -15.5720 -15.5719 4.2521 4.2563 10.3287 10.3523 10.5315 10.5613 11.3091 11.3096 12.1803 12.2610 12.5561 12.6478 13.2647 13.2658 13.7662 13.8497 14.1328 14.1694 16.7309 16.7457 17.1301 17.1620 17.7242 17.7429 18.4251 18.5061 k = 0.1295 0.0748 0.2115 ( 4733 PWs) bands (ev): -56.1306 -56.1306 -40.1396 -40.1396 -28.7759 -28.7743 -25.6212 -25.6192 -25.6179 -25.6173 -17.6800 -17.6776 -15.5807 -15.5791 -15.5721 -15.5721 4.2101 4.2137 10.3754 10.4012 10.5617 10.5923 11.3044 11.3059 12.1670 12.2498 12.5219 12.6120 13.3127 13.3136 13.7895 13.8711 14.1446 14.1795 16.7683 16.7857 17.1246 17.1568 17.6845 17.7010 18.4391 18.5259 k = 0.1227 0.0709 0.2004 ( 4733 PWs) bands (ev): -56.1307 -56.1307 -40.1396 -40.1395 -28.7757 -28.7743 -25.6208 -25.6189 -25.6178 -25.6173 -17.6800 -17.6778 -15.5801 -15.5787 -15.5723 -15.5722 4.1692 4.1722 10.4218 10.4493 10.5945 10.6261 11.2972 11.3004 12.1525 12.2363 12.4862 12.5746 13.3635 13.3670 13.8155 13.8951 14.1561 14.1893 16.8036 16.8234 17.1198 17.1521 17.6470 17.6620 18.4470 18.5379 k = 0.1159 0.0669 0.1893 ( 4725 PWs) bands (ev): -56.1307 -56.1307 -40.1395 -40.1395 -28.7755 -28.7743 -25.6203 -25.6187 -25.6178 -25.6174 -17.6799 -17.6781 -15.5795 -15.5784 -15.5724 -15.5724 4.1296 4.1322 10.4675 10.4963 10.6298 10.6626 11.2884 11.2932 12.1367 12.2206 12.4491 12.5357 13.4177 13.4244 13.8437 13.9213 14.1671 14.1986 16.8369 16.8589 17.1157 17.1480 17.6128 17.6265 18.4488 18.5420 k = 0.1091 0.0630 0.1781 ( 4733 PWs) bands (ev): -56.1307 -56.1307 -40.1394 -40.1394 -28.7754 -28.7744 -25.6199 -25.6185 -25.6177 -25.6174 -17.6799 -17.6783 -15.5790 -15.5780 -15.5726 -15.5726 4.0916 4.0937 10.5125 10.5418 10.6673 10.7015 11.2784 11.2848 12.1196 12.2029 12.4106 12.4953 13.4751 13.4851 13.8738 13.9492 14.1778 14.2076 16.8682 16.8921 17.1123 17.1444 17.5823 17.5951 18.4444 18.5378 k = 0.1023 0.0590 0.1670 ( 4731 PWs) bands (ev): -56.1307 -56.1307 -40.1394 -40.1393 -28.7753 -28.7744 -25.6196 -25.6184 -25.6177 -25.6174 -17.6798 -17.6785 -15.5784 -15.5776 -15.5728 -15.5728 4.0551 4.0569 10.5566 10.5859 10.7068 10.7426 11.2676 11.2757 12.1013 12.1834 12.3709 12.4536 13.5351 13.5485 13.9053 13.9783 14.1881 14.2162 16.8976 16.9230 17.1096 17.1414 17.5563 17.5683 18.4341 18.5255 k = 0.0955 0.0551 0.1559 ( 4731 PWs) bands (ev): -56.1308 -56.1308 -40.1393 -40.1393 -28.7751 -28.7744 -25.6192 -25.6182 -25.6176 -25.6174 -17.6798 -17.6787 -15.5779 -15.5773 -15.5729 -15.5729 4.0205 4.0219 10.5998 10.6286 10.7477 10.7852 11.2565 11.2661 12.0820 12.1624 12.3301 12.4107 13.5971 13.6137 13.9377 14.0082 14.1981 14.2244 16.9250 16.9517 17.1077 17.1391 17.5351 17.5465 18.4182 18.5054 k = 0.0886 0.0512 0.1447 ( 4733 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7750 -28.7745 -25.6189 -25.6180 -25.6176 -25.6175 -17.6798 -17.6789 -15.5775 -15.5769 -15.5731 -15.5731 3.9877 3.9888 10.6420 10.6698 10.7896 10.8287 11.2453 11.2566 12.0620 12.1402 12.2884 12.3668 13.6604 13.6800 13.9706 14.0382 14.2077 14.2322 16.9506 16.9783 17.1066 17.1372 17.5192 17.5299 18.3975 18.4785 k = 0.0818 0.0472 0.1336 ( 4723 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7749 -28.7744 -25.6186 -25.6179 -25.6175 -25.6174 -17.6798 -17.6791 -15.5770 -15.5766 -15.5733 -15.5733 3.9569 3.9578 10.6834 10.7098 10.8320 10.8726 11.2345 11.2474 12.0413 12.1170 12.2461 12.3220 13.7245 13.7466 14.0035 14.0679 14.2170 14.2398 16.9744 17.0026 17.1062 17.1359 17.5089 17.5188 18.3727 18.4463 k = 0.0750 0.0433 0.1225 ( 4715 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7748 -28.7744 -25.6183 -25.6177 -25.6174 -25.6174 -17.6798 -17.6792 -15.5766 -15.5763 -15.5734 -15.5734 3.9282 3.9289 10.7237 10.7483 10.8745 10.9161 11.2242 11.2389 12.0204 12.0931 12.2034 12.2767 13.7884 13.8126 14.0360 14.0967 14.2260 14.2471 16.9965 17.0247 17.1065 17.1351 17.5045 17.5135 18.3449 18.4104 k = 0.0682 0.0394 0.1113 ( 4715 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7747 -28.7744 -25.6181 -25.6176 -25.6174 -25.6173 -17.6798 -17.6794 -15.5762 -15.5759 -15.5735 -15.5735 3.9017 3.9022 10.7629 10.7853 10.9165 10.9588 11.2149 11.2314 11.9994 12.0689 12.1608 12.2312 13.8513 13.8768 14.0677 14.1243 14.2347 14.2541 17.0171 17.0447 17.1075 17.1347 17.5061 17.5139 18.3150 18.3721 k = 0.0614 0.0354 0.1002 ( 4709 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7746 -28.7744 -25.6179 -25.6175 -25.6173 -25.6173 -17.6798 -17.6795 -15.5758 -15.5757 -15.5737 -15.5737 3.8775 3.8779 10.8005 10.8203 10.9577 11.0002 11.2067 11.2252 11.9788 12.0446 12.1185 12.1857 13.9123 13.9382 14.0984 14.1503 14.2432 14.2609 17.0361 17.0626 17.1090 17.1347 17.5138 17.5202 18.2839 18.3329 k = 0.0545 0.0315 0.0891 ( 4711 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7745 -28.7744 -25.6177 -25.6174 -25.6173 -25.6172 -17.6798 -17.6796 -15.5755 -15.5754 -15.5738 -15.5738 3.8556 3.8559 10.8362 10.8529 10.9977 11.0397 11.2001 11.2204 11.9590 12.0205 12.0773 12.1408 13.9701 13.9953 14.1280 14.1744 14.2515 14.2676 17.0536 17.0783 17.1111 17.1348 17.5274 17.5323 18.2525 18.2934 k = 0.0477 0.0276 0.0779 ( 4699 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7745 -28.7744 -25.6175 -25.6173 -25.6172 -25.6172 -17.6798 -17.6797 -15.5752 -15.5751 -15.5739 -15.5739 3.8362 3.8363 10.8693 10.8827 11.0361 11.0769 11.1954 11.2172 11.9403 11.9970 12.0376 12.0969 14.0234 14.0466 14.1569 14.1967 14.2595 14.2742 17.0695 17.0919 17.1135 17.1351 17.5467 17.5501 18.2212 18.2542 k = 0.0409 0.0236 0.0668 ( 4687 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7744 -28.7743 -25.6173 -25.6172 -25.6171 -25.6171 -17.6798 -17.6797 -15.5750 -15.5749 -15.5740 -15.5740 3.8192 3.8193 10.8991 10.9090 11.0724 11.1111 11.1928 11.2155 11.9233 11.9744 12.0004 12.0547 14.0708 14.0900 14.1856 14.2173 14.2674 14.2805 17.0837 17.1034 17.1163 17.1354 17.5713 17.5733 18.1903 18.2157 k = 0.0341 0.0197 0.0557 ( 4683 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6172 -25.6171 -25.6171 -25.6171 -17.6798 -17.6798 -15.5748 -15.5747 -15.5741 -15.5741 3.8047 3.8048 10.9248 10.9314 11.1062 11.1418 11.1925 11.2152 11.9085 11.9533 11.9666 12.0149 14.1107 14.1244 14.2142 14.2367 14.2750 14.2866 17.0962 17.1129 17.1192 17.1356 17.6005 17.6013 18.1599 18.1780 k = 0.0273 0.0157 0.0445 ( 4671 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6171 -25.6171 -25.6170 -25.6170 -17.6799 -17.6798 -15.5746 -15.5746 -15.5742 -15.5742 3.7928 3.7929 10.9459 10.9496 11.1369 11.1680 11.1944 11.2158 11.8964 11.9340 11.9374 11.9784 14.1417 14.1496 14.2417 14.2554 14.2821 14.2920 17.1068 17.1203 17.1221 17.1355 17.6328 17.6329 18.1298 18.1412 k = 0.0205 0.0118 0.0334 ( 4671 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7742 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5744 -15.5744 -15.5742 -15.5742 3.7835 3.7836 10.9619 10.9636 11.1636 11.1887 11.1982 11.2166 11.8876 11.9140 11.9171 11.9465 14.1638 14.1672 14.2658 14.2728 14.2886 14.2964 17.1155 17.1249 17.1257 17.1351 17.6662 17.6664 18.1003 18.1062 k = 0.0136 0.0079 0.0223 ( 4679 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5744 -15.5744 -15.5742 -15.5742 3.7769 3.7769 10.9729 10.9735 11.1854 11.2030 11.2031 11.2167 11.8828 11.8977 11.9033 11.9201 14.1777 14.1787 14.2844 14.2873 14.2939 14.2994 17.1223 17.1274 17.1291 17.1343 17.6975 17.6976 18.0729 18.0749 k = 0.0068 0.0039 0.0111 ( 4679 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7729 3.7729 10.9793 10.9793 11.2014 11.2078 11.2103 11.2153 11.8826 11.8892 11.8933 11.9005 14.1852 14.1853 14.2961 14.2970 14.2979 14.3007 17.1273 17.1294 17.1307 17.1329 17.7211 17.7211 18.0517 18.0520 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7716 3.7716 10.9813 10.9813 11.2110 11.2110 11.2110 11.2110 11.8881 11.8881 11.8881 11.8881 14.1875 14.1875 14.3002 14.3002 14.3002 14.3002 17.1307 17.1307 17.1307 17.1307 17.7301 17.7301 18.0434 18.0434 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7716 3.7716 10.9813 10.9813 11.2110 11.2110 11.2110 11.2110 11.8881 11.8881 11.8881 11.8881 14.1875 14.1875 14.3002 14.3002 14.3002 14.3002 17.1307 17.1307 17.1307 17.1307 17.7301 17.7301 18.0434 18.0434 k = 0.0111 0.0064 0.0045 ( 4684 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5743 -15.5743 -15.5743 -15.5743 3.7729 3.7729 10.9793 10.9793 11.2015 11.2091 11.2091 11.2149 11.8826 11.8912 11.8912 11.9006 14.1853 14.1853 14.2964 14.2964 14.2980 14.3010 17.1273 17.1301 17.1301 17.1329 17.7212 17.7212 18.0518 18.0518 k = 0.0222 0.0128 0.0091 ( 4672 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7742 -28.7742 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5744 -15.5744 -15.5742 -15.5742 3.7769 3.7769 10.9734 10.9734 11.1871 11.2037 11.2037 11.2131 11.8843 11.9002 11.9002 11.9194 14.1781 14.1781 14.2854 14.2854 14.2944 14.3003 17.1228 17.1282 17.1282 17.1339 17.6978 17.6978 18.0737 18.0737 k = 0.0333 0.0192 0.0136 ( 4672 PWs) bands (ev): -56.1309 -56.1309 -40.1388 -40.1388 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6799 -17.6799 -15.5745 -15.5745 -15.5742 -15.5742 3.7835 3.7835 10.9639 10.9639 11.1685 11.1949 11.1949 11.2057 11.8928 11.9149 11.9149 11.9436 14.1647 14.1647 14.2690 14.2690 14.2893 14.2982 17.1172 17.1252 17.1252 17.1337 17.6668 17.6668 18.1029 18.1029 k = 0.0444 0.0257 0.0181 ( 4669 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6170 -25.6170 -25.6170 -25.6170 -17.6798 -17.6798 -15.5746 -15.5746 -15.5741 -15.5741 3.7928 3.7928 10.9509 10.9509 11.1466 11.1828 11.1828 11.1932 11.9078 11.9345 11.9345 11.9725 14.1427 14.1427 14.2502 14.2502 14.2829 14.2949 17.1107 17.1211 17.1211 17.1323 17.6339 17.6339 18.1353 18.1353 k = 0.0556 0.0321 0.0227 ( 4678 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7743 -28.7743 -25.6171 -25.6171 -25.6171 -25.6171 -17.6798 -17.6798 -15.5748 -15.5748 -15.5740 -15.5740 3.8046 3.8046 10.9348 10.9348 11.1223 11.1678 11.1678 11.1763 11.9283 11.9586 11.9586 12.0051 14.1101 14.1101 14.2318 14.2318 14.2752 14.2903 17.1034 17.1160 17.1160 17.1297 17.6023 17.6023 18.1692 18.1692 k = 0.0667 0.0385 0.0272 ( 4690 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7744 -28.7744 -25.6172 -25.6172 -25.6172 -25.6171 -17.6798 -17.6798 -15.5750 -15.5750 -15.5740 -15.5740 3.8191 3.8191 10.9161 10.9161 11.0961 11.1501 11.1501 11.1561 11.9534 11.9863 11.9863 12.0407 14.0665 14.0665 14.2153 14.2153 14.2665 14.2847 17.0953 17.1101 17.1101 17.1260 17.5738 17.5738 18.2046 18.2046 k = 0.0778 0.0449 0.0318 ( 4696 PWs) bands (ev): -56.1309 -56.1309 -40.1389 -40.1389 -28.7744 -28.7744 -25.6173 -25.6173 -25.6172 -25.6172 -17.6797 -17.6797 -15.5752 -15.5752 -15.5738 -15.5738 3.8360 3.8360 10.8950 10.8950 11.0688 11.1299 11.1299 11.1332 11.9822 12.0170 12.0170 12.0785 14.0132 14.0132 14.2004 14.2004 14.2567 14.2783 17.0866 17.1033 17.1033 17.1214 17.5493 17.5493 18.2418 18.2418 k = 0.0889 0.0513 0.0363 ( 4705 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7745 -28.7745 -25.6175 -25.6175 -25.6173 -25.6173 -17.6797 -17.6797 -15.5755 -15.5755 -15.5737 -15.5737 3.8555 3.8555 10.8721 10.8721 11.0408 11.1072 11.1072 11.1084 12.0137 12.0501 12.0501 12.1178 13.9522 13.9522 14.1866 14.1866 14.2462 14.2711 17.0773 17.0958 17.0958 17.1157 17.5289 17.5289 18.2812 18.2812 k = 0.1000 0.0577 0.0408 ( 4705 PWs) bands (ev): -56.1309 -56.1309 -40.1390 -40.1390 -28.7745 -28.7745 -25.6175 -25.6175 -25.6174 -25.6174 -17.6796 -17.6796 -15.5758 -15.5758 -15.5736 -15.5736 3.8774 3.8774 10.8477 10.8477 11.0125 11.0824 11.0824 11.0824 12.0473 12.0848 12.0848 12.1582 13.8853 13.8853 14.1733 14.1733 14.2352 14.2635 17.0676 17.0878 17.0878 17.1092 17.5128 17.5128 18.3230 18.3230 k = 0.1111 0.0642 0.0454 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7746 -28.7746 -25.6177 -25.6177 -25.6175 -25.6175 -17.6796 -17.6796 -15.5762 -15.5762 -15.5734 -15.5734 3.9017 3.9017 10.8220 10.8220 10.9843 11.0553 11.0553 11.0557 12.0821 12.1206 12.1206 12.1991 13.8140 13.8140 14.1604 14.1604 14.2239 14.2557 17.0576 17.0794 17.0794 17.1020 17.5005 17.5005 18.3674 18.3674 k = 0.1222 0.0706 0.0499 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1391 -40.1391 -28.7746 -28.7746 -25.6178 -25.6178 -25.6176 -25.6176 -17.6795 -17.6795 -15.5766 -15.5766 -15.5732 -15.5732 3.9282 3.9282 10.7953 10.7953 10.9563 11.0263 11.0263 11.0287 12.1177 12.1570 12.1570 12.2401 13.7395 13.7395 14.1481 14.1481 14.2127 14.2480 17.0472 17.0705 17.0705 17.0940 17.4916 17.4916 18.4143 18.4143 k = 0.1333 0.0770 0.0544 ( 4717 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7746 -28.7746 -25.6179 -25.6179 -25.6177 -25.6177 -17.6794 -17.6794 -15.5770 -15.5770 -15.5730 -15.5730 3.9571 3.9571 10.7677 10.7677 10.9289 10.9954 10.9954 11.0017 12.1534 12.1936 12.1936 12.2807 13.6631 13.6631 14.1364 14.1364 14.2017 14.2405 17.0367 17.0612 17.0612 17.0855 17.4857 17.4857 18.4636 18.4636 k = 0.1444 0.0834 0.0590 ( 4729 PWs) bands (ev): -56.1308 -56.1308 -40.1392 -40.1392 -28.7747 -28.7747 -25.6181 -25.6181 -25.6178 -25.6178 -17.6793 -17.6793 -15.5774 -15.5774 -15.5728 -15.5728 3.9880 3.9880 10.7391 10.7391 10.9022 10.9628 10.9628 10.9750 12.1888 12.2297 12.2297 12.3204 13.5858 13.5858 14.1256 14.1256 14.1914 14.2337 17.0259 17.0516 17.0516 17.0764 17.4823 17.4823 18.5153 18.5153 k = 0.1556 0.0898 0.0635 ( 4729 PWs) bands (ev): -56.1308 -56.1308 -40.1393 -40.1393 -28.7748 -28.7748 -25.6183 -25.6183 -25.6180 -25.6179 -17.6793 -17.6793 -15.5779 -15.5779 -15.5726 -15.5726 4.0211 4.0211 10.7097 10.7097 10.8762 10.9287 10.9287 10.9488 12.2235 12.2649 12.2649 12.3589 13.5086 13.5086 14.1161 14.1161 14.1821 14.2279 17.0150 17.0416 17.0416 17.0668 17.4807 17.4807 18.5691 18.5691 k = 0.1667 0.0962 0.0680 ( 4729 PWs) bands (ev): -56.1307 -56.1307 -40.1393 -40.1393 -28.7748 -28.7748 -25.6184 -25.6184 -25.6181 -25.6180 -17.6792 -17.6792 -15.5784 -15.5784 -15.5724 -15.5724 4.0560 4.0560 10.6791 10.6791 10.8512 10.8937 10.8937 10.9233 12.2569 12.2988 12.2988 12.3958 13.4323 13.4323 14.1081 14.1081 14.1742 14.2232 17.0040 17.0314 17.0314 17.0568 17.4805 17.4805 18.6250 18.6250 k = 0.1778 0.1026 0.0726 ( 4723 PWs) bands (ev): -56.1307 -56.1307 -40.1394 -40.1394 -28.7749 -28.7749 -25.6186 -25.6186 -25.6182 -25.6182 -17.6791 -17.6791 -15.5789 -15.5789 -15.5722 -15.5722 4.0929 4.0929 10.6470 10.6470 10.8272 10.8580 10.8580 10.8986 12.2889 12.3309 12.3309 12.4306 13.3579 13.3579 14.1022 14.1022 14.1682 14.2202 16.9929 17.0208 17.0208 17.0464 17.4811 17.4811 18.6826 18.6826 k = 0.1889 0.1091 0.0771 ( 4726 PWs) bands (ev): -56.1307 -56.1307 -40.1395 -40.1395 -28.7749 -28.7749 -25.6187 -25.6187 -25.6183 -25.6183 -17.6790 -17.6790 -15.5794 -15.5794 -15.5719 -15.5719 4.1315 4.1315 10.6130 10.6130 10.8043 10.8225 10.8225 10.8747 12.3190 12.3608 12.3608 12.4629 13.2859 13.2859 14.0985 14.0985 14.1642 14.2190 16.9817 17.0099 17.0099 17.0356 17.4820 17.4820 18.7417 18.7417 k = 0.2000 0.1155 0.0816 ( 4732 PWs) bands (ev): -56.1307 -56.1307 -40.1395 -40.1395 -28.7750 -28.7750 -25.6189 -25.6189 -25.6185 -25.6184 -17.6789 -17.6789 -15.5799 -15.5799 -15.5717 -15.5717 4.1717 4.1717 10.5765 10.5765 10.7825 10.7877 10.7877 10.8519 12.3469 12.3882 12.3882 12.4925 13.2169 13.2169 14.0976 14.0976 14.1628 14.2200 16.9704 16.9986 16.9986 17.0245 17.4825 17.4825 18.8021 18.8021 k = 0.2111 0.1219 0.0862 ( 4729 PWs) bands (ev): -56.1306 -56.1306 -40.1396 -40.1396 -28.7751 -28.7751 -25.6191 -25.6191 -25.6186 -25.6186 -17.6788 -17.6788 -15.5804 -15.5804 -15.5714 -15.5714 4.2133 4.2133 10.5369 10.5369 10.7544 10.7544 10.7618 10.8301 12.3723 12.4127 12.4127 12.5189 13.1516 13.1516 14.0996 14.0996 14.1642 14.2233 16.9590 16.9869 16.9869 17.0131 17.4822 17.4822 18.8635 18.8635 k = 0.2222 0.1283 0.0907 ( 4735 PWs) bands (ev): -56.1306 -56.1306 -40.1397 -40.1397 -28.7751 -28.7751 -25.6193 -25.6193 -25.6188 -25.6187 -17.6787 -17.6787 -15.5810 -15.5810 -15.5712 -15.5712 4.2564 4.2564 10.4938 10.4938 10.7232 10.7232 10.7424 10.8093 12.3951 12.4340 12.4340 12.5420 13.0903 13.0903 14.1049 14.1049 14.1688 14.2293 16.9475 16.9748 16.9748 17.0013 17.4803 17.4803 18.9255 18.9255 k = 0.2333 0.1347 0.0953 ( 4735 PWs) bands (ev): -56.1306 -56.1306 -40.1397 -40.1397 -28.7752 -28.7752 -25.6195 -25.6195 -25.6189 -25.6189 -17.6786 -17.6786 -15.5815 -15.5815 -15.5709 -15.5709 4.3005 4.3005 10.4471 10.4471 10.6944 10.6944 10.7242 10.7897 12.4151 12.4518 12.4518 12.5614 13.0335 13.0335 14.1136 14.1136 14.1767 14.2381 16.9359 16.9623 16.9623 16.9893 17.4765 17.4765 18.9878 18.9878 k = 0.2444 0.1411 0.0998 ( 4729 PWs) bands (ev): -56.1305 -56.1305 -40.1398 -40.1398 -28.7753 -28.7753 -25.6196 -25.6196 -25.6191 -25.6190 -17.6785 -17.6785 -15.5820 -15.5820 -15.5707 -15.5707 4.3458 4.3458 10.3968 10.3968 10.6683 10.6683 10.7072 10.7712 12.4321 12.4661 12.4661 12.5771 12.9813 12.9813 14.1260 14.1260 14.1882 14.2497 16.9242 16.9494 16.9494 16.9769 17.4700 17.4700 19.0497 19.0497 k = 0.2556 0.1475 0.1043 ( 4729 PWs) bands (ev): -56.1305 -56.1305 -40.1399 -40.1399 -28.7753 -28.7753 -25.6198 -25.6198 -25.6192 -25.6191 -17.6784 -17.6784 -15.5826 -15.5826 -15.5704 -15.5704 4.3918 4.3918 10.3433 10.3433 10.6448 10.6448 10.6914 10.7538 12.4462 12.4768 12.4768 12.5891 12.9340 12.9340 14.1419 14.1419 14.2031 14.2642 16.9123 16.9360 16.9360 16.9643 17.4602 17.4602 19.1105 19.1105 k = 0.2667 0.1540 0.1089 ( 4723 PWs) bands (ev): -56.1305 -56.1305 -40.1399 -40.1399 -28.7754 -28.7754 -25.6200 -25.6200 -25.6193 -25.6193 -17.6783 -17.6783 -15.5831 -15.5831 -15.5701 -15.5701 4.4385 4.4385 10.2870 10.2870 10.6236 10.6236 10.6769 10.7375 12.4573 12.4838 12.4838 12.5973 12.8917 12.8917 14.1615 14.1615 14.2215 14.2816 16.9003 16.9221 16.9221 16.9513 17.4465 17.4465 19.1677 19.1677 k = 0.2778 0.1604 0.1134 ( 4717 PWs) bands (ev): -56.1305 -56.1305 -40.1400 -40.1400 -28.7754 -28.7754 -25.6202 -25.6202 -25.6195 -25.6194 -17.6782 -17.6782 -15.5837 -15.5837 -15.5699 -15.5699 4.4857 4.4857 10.2285 10.2285 10.6046 10.6046 10.6635 10.7223 12.4656 12.4874 12.4874 12.6020 12.8543 12.8543 14.1844 14.1844 14.2432 14.3018 16.8882 16.9077 16.9077 16.9381 17.4283 17.4283 19.2121 19.2121 k = 0.2889 0.1668 0.1179 ( 4717 PWs) bands (ev): -56.1304 -56.1304 -40.1401 -40.1401 -28.7755 -28.7755 -25.6203 -25.6203 -25.6196 -25.6196 -17.6780 -17.6780 -15.5842 -15.5842 -15.5696 -15.5696 4.5331 4.5331 10.1684 10.1684 10.5876 10.5876 10.6514 10.7082 12.4712 12.4877 12.4877 12.6033 12.8218 12.8218 14.2106 14.2106 14.2680 14.3245 16.8759 16.8928 16.8928 16.9246 17.4051 17.4051 19.2019 19.2019 k = 0.3000 0.1732 0.1225 ( 4720 PWs) bands (ev): -56.1304 -56.1304 -40.1402 -40.1402 -28.7755 -28.7755 -25.6205 -25.6205 -25.6198 -25.6197 -17.6779 -17.6779 -15.5847 -15.5847 -15.5694 -15.5694 4.5805 4.5805 10.1071 10.1071 10.5722 10.5722 10.6404 10.6951 12.4743 12.4851 12.4851 12.6015 12.7940 12.7940 14.2396 14.2396 14.2956 14.3496 16.8635 16.8774 16.8774 16.9108 17.3764 17.3764 19.1297 19.1297 k = 0.3111 0.1796 0.1270 ( 4720 PWs) bands (ev): -56.1304 -56.1304 -40.1402 -40.1402 -28.7756 -28.7756 -25.6207 -25.6207 -25.6199 -25.6198 -17.6778 -17.6778 -15.5852 -15.5852 -15.5691 -15.5691 4.6277 4.6277 10.0453 10.0453 10.5585 10.5585 10.6305 10.6831 12.4752 12.4800 12.4800 12.5970 12.7707 12.7707 14.2711 14.2711 14.3255 14.3767 16.8510 16.8616 16.8616 16.8968 17.3420 17.3420 19.0467 19.0467 k = 0.3222 0.1860 0.1315 ( 4720 PWs) bands (ev): -56.1304 -56.1304 -40.1403 -40.1403 -28.7757 -28.7757 -25.6209 -25.6209 -25.6200 -25.6200 -17.6777 -17.6777 -15.5857 -15.5857 -15.5689 -15.5689 4.6745 4.6745 9.9835 9.9835 10.5462 10.5462 10.6217 10.6720 12.4728 12.4728 12.4741 12.5901 12.7514 12.7514 14.3047 14.3047 14.3574 14.4055 16.8384 16.8454 16.8454 16.8826 17.3018 17.3018 18.9673 18.9673 k = 0.3333 0.1925 0.1361 ( 4705 PWs) bands (ev): -56.1303 -56.1303 -40.1403 -40.1403 -28.7757 -28.7757 -25.6210 -25.6210 -25.6201 -25.6201 -17.6776 -17.6776 -15.5861 -15.5861 -15.5687 -15.5687 4.7205 4.7205 9.9222 9.9222 10.5353 10.5353 10.6139 10.6619 12.4641 12.4641 12.4714 12.5811 12.7359 12.7359 14.3399 14.3399 14.3909 14.4356 16.8259 16.8288 16.8288 16.8682 17.2560 17.2560 18.8946 18.8946 k = 0.3444 0.1989 0.1406 ( 4705 PWs) bands (ev): -56.1303 -56.1303 -40.1404 -40.1404 -28.7757 -28.7757 -25.6212 -25.6212 -25.6202 -25.6202 -17.6775 -17.6775 -15.5866 -15.5866 -15.5684 -15.5684 4.7656 4.7656 9.8619 9.8619 10.5255 10.5255 10.6072 10.6527 12.4541 12.4541 12.4673 12.5705 12.7239 12.7239 14.3763 14.3763 14.4253 14.4667 16.8119 16.8119 16.8133 16.8537 17.2053 17.2053 18.8300 18.8300 k = 0.3556 0.2053 0.1452 ( 4705 PWs) bands (ev): -56.1303 -56.1303 -40.1405 -40.1405 -28.7758 -28.7758 -25.6213 -25.6213 -25.6203 -25.6203 -17.6775 -17.6775 -15.5870 -15.5870 -15.5682 -15.5682 4.8094 4.8094 9.8031 9.8031 10.5168 10.5168 10.6014 10.6443 12.4434 12.4434 12.4621 12.5586 12.7148 12.7148 14.4134 14.4134 14.4604 14.4983 16.7949 16.7949 16.8009 16.8392 17.1505 17.1505 18.7735 18.7735 k = 0.3667 0.2117 0.1497 ( 4705 PWs) bands (ev): -56.1303 -56.1303 -40.1405 -40.1405 -28.7758 -28.7758 -25.6215 -25.6215 -25.6204 -25.6204 -17.6774 -17.6774 -15.5874 -15.5874 -15.5680 -15.5680 4.8517 4.8517 9.7463 9.7463 10.5092 10.5092 10.5965 10.6366 12.4323 12.4323 12.4563 12.5458 12.7085 12.7085 14.4506 14.4506 14.4954 14.5299 16.7777 16.7777 16.7886 16.8248 17.0928 17.0928 18.7250 18.7250 k = 0.3778 0.2181 0.1542 ( 4705 PWs) bands (ev): -56.1302 -56.1302 -40.1406 -40.1406 -28.7759 -28.7759 -25.6216 -25.6216 -25.6205 -25.6205 -17.6773 -17.6773 -15.5878 -15.5878 -15.5678 -15.5678 4.8921 4.8921 9.6920 9.6920 10.5025 10.5025 10.5924 10.6297 12.4210 12.4210 12.4500 12.5324 12.7044 12.7044 14.4875 14.4875 14.5301 14.5611 16.7605 16.7605 16.7767 16.8105 17.0334 17.0334 18.6838 18.6838 k = 0.3889 0.2245 0.1588 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1406 -40.1406 -28.7759 -28.7759 -25.6217 -25.6217 -25.6206 -25.6206 -17.6772 -17.6772 -15.5881 -15.5881 -15.5677 -15.5677 4.9303 4.9303 9.6406 9.6406 10.4967 10.4967 10.5891 10.6235 12.4098 12.4098 12.4436 12.5188 12.7024 12.7024 14.5234 14.5234 14.5638 14.5915 16.7435 16.7435 16.7652 16.7965 16.9738 16.9738 18.6493 18.6493 k = 0.4000 0.2309 0.1633 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1407 -28.7759 -28.7759 -25.6218 -25.6218 -25.6207 -25.6207 -17.6771 -17.6771 -15.5884 -15.5884 -15.5675 -15.5675 4.9661 4.9661 9.5925 9.5925 10.4916 10.4916 10.5865 10.6179 12.3990 12.3990 12.4374 12.5053 12.7021 12.7021 14.5580 14.5580 14.5962 14.6206 16.7267 16.7267 16.7542 16.7829 16.9155 16.9155 18.6206 18.6206 k = 0.4111 0.2374 0.1678 ( 4702 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1407 -28.7760 -28.7760 -25.6219 -25.6219 -25.6208 -25.6208 -17.6771 -17.6771 -15.5887 -15.5887 -15.5674 -15.5674 4.9991 4.9991 9.5482 9.5482 10.4873 10.4873 10.5846 10.6128 12.3888 12.3888 12.4315 12.4920 12.7031 12.7031 14.5907 14.5907 14.6267 14.6480 16.7101 16.7101 16.7440 16.7699 16.8600 16.8600 18.5970 18.5970 k = 0.4222 0.2438 0.1724 ( 4699 PWs) bands (ev): -56.1302 -56.1302 -40.1407 -40.1407 -28.7760 -28.7760 -25.6220 -25.6220 -25.6208 -25.6208 -17.6770 -17.6770 -15.5890 -15.5890 -15.5672 -15.5672 5.0291 5.0291 9.5081 9.5081 10.4837 10.4837 10.5833 10.6082 12.3793 12.3793 12.4262 12.4793 12.7050 12.7050 14.6210 14.6210 14.6550 14.6733 16.6938 16.6938 16.7346 16.7577 16.8089 16.8089 18.5778 18.5778 k = 0.4333 0.2502 0.1769 ( 4705 PWs) bands (ev): -56.1302 -56.1302 -40.1408 -40.1408 -28.7760 -28.7760 -25.6221 -25.6221 -25.6209 -25.6209 -17.6770 -17.6770 -15.5892 -15.5892 -15.5671 -15.5671 5.0557 5.0557 9.4725 9.4725 10.4806 10.4806 10.5826 10.6041 12.3707 12.3707 12.4217 12.4673 12.7076 12.7076 14.6485 14.6485 14.6806 14.6960 16.6773 16.6773 16.7263 16.7463 16.7638 16.7638 18.5624 18.5624 k = 0.4444 0.2566 0.1814 ( 4705 PWs) bands (ev): -56.1302 -56.1302 -40.1408 -40.1408 -28.7761 -28.7761 -25.6222 -25.6222 -25.6210 -25.6209 -17.6769 -17.6769 -15.5894 -15.5894 -15.5670 -15.5670 5.0788 5.0788 9.4418 9.4418 10.4781 10.4781 10.5824 10.6004 12.3631 12.3631 12.4182 12.4563 12.7105 12.7105 14.6726 14.6726 14.7031 14.7157 16.6598 16.6598 16.7192 16.7270 16.7270 16.7361 18.5502 18.5502 k = 0.4556 0.2630 0.1860 ( 4699 PWs) bands (ev): -56.1302 -56.1302 -40.1408 -40.1408 -28.7761 -28.7761 -25.6222 -25.6222 -25.6210 -25.6210 -17.6769 -17.6769 -15.5896 -15.5896 -15.5669 -15.5669 5.0980 5.0980 9.4163 9.4163 10.4762 10.4762 10.5826 10.5971 12.3568 12.3568 12.4158 12.4463 12.7133 12.7133 14.6930 14.6930 14.7222 14.7322 16.6408 16.6408 16.7000 16.7000 16.7134 16.7271 18.5408 18.5408 k = 0.4667 0.2694 0.1905 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7761 -28.7761 -25.6223 -25.6223 -25.6210 -25.6210 -17.6769 -17.6769 -15.5897 -15.5897 -15.5669 -15.5669 5.1131 5.1131 9.3961 9.3961 10.4747 10.4747 10.5832 10.5942 12.3517 12.3517 12.4147 12.4376 12.7158 12.7158 14.7092 14.7092 14.7377 14.7451 16.6216 16.6216 16.6823 16.6823 16.7092 16.7195 18.5339 18.5339 k = 0.4778 0.2758 0.1951 ( 4697 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7761 -28.7761 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1241 5.1241 9.3816 9.3816 10.4736 10.4736 10.5842 10.5916 12.3481 12.3481 12.4149 12.4302 12.7178 12.7178 14.7211 14.7211 14.7493 14.7541 16.6054 16.6054 16.6716 16.6716 16.7066 16.7135 18.5291 18.5291 k = 0.4889 0.2823 0.1996 ( 4688 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7761 -28.7761 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1307 5.1307 9.3728 9.3728 10.4730 10.4730 10.5856 10.5892 12.3458 12.3458 12.4166 12.4242 12.7190 12.7190 14.7283 14.7283 14.7567 14.7592 16.5949 16.5949 16.6658 16.6658 16.7057 16.7092 18.5263 18.5263 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7760 -28.7760 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1329 5.1329 9.3699 9.3699 10.4728 10.4728 10.5873 10.5873 12.3451 12.3451 12.4197 12.4197 12.7194 12.7194 14.7307 14.7307 14.7601 14.7601 16.5913 16.5913 16.6639 16.6639 16.7066 16.7066 18.5253 18.5253 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7760 -28.7760 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1329 5.1329 9.3699 9.3699 10.4728 10.4728 10.5873 10.5873 12.3451 12.3451 12.4197 12.4197 12.7194 12.7194 14.7307 14.7307 14.7601 14.7601 16.5913 16.5913 16.6639 16.6639 16.7066 16.7066 18.5253 18.5253 k = 0.5039 0.2774 0.2105 ( 4679 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7763 -28.7758 -25.6228 -25.6220 -25.6209 -25.6209 -17.6772 -17.6764 -15.5901 -15.5896 -15.5668 -15.5668 5.1320 5.1339 9.3696 9.3730 10.4728 10.4732 10.5874 10.5874 12.3455 12.3468 12.4208 12.4208 12.7191 12.7195 14.7271 14.7299 14.7579 14.7579 16.5856 16.5955 16.6601 16.6648 16.7052 16.7053 18.5302 18.5323 k = 0.5078 0.2661 0.2169 ( 4697 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7766 -28.7756 -25.6234 -25.6220 -25.6209 -25.6206 -17.6776 -17.6760 -15.5903 -15.5893 -15.5669 -15.5669 5.1312 5.1349 9.3721 9.3789 10.4731 10.4739 10.5878 10.5879 12.3480 12.3506 12.4242 12.4243 12.7187 12.7194 14.7189 14.7247 14.7514 14.7516 16.5773 16.5989 16.6519 16.6634 16.7021 16.7024 18.5465 18.5508 k = 0.5117 0.2548 0.2233 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7769 -28.7753 -25.6240 -25.6221 -25.6207 -25.6201 -17.6780 -17.6756 -15.5905 -15.5891 -15.5669 -15.5669 5.1305 5.1360 9.3774 9.3875 10.4737 10.4748 10.5886 10.5889 12.3526 12.3565 12.4299 12.4300 12.7180 12.7191 14.7062 14.7152 14.7405 14.7412 16.5646 16.6015 16.6376 16.6597 16.6993 16.7002 18.5732 18.5798 k = 0.5156 0.2436 0.2296 ( 4701 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7772 -28.7751 -25.6246 -25.6223 -25.6206 -25.6195 -17.6784 -17.6752 -15.5907 -15.5888 -15.5670 -15.5670 5.1298 5.1371 9.3855 9.3989 10.4747 10.4757 10.5898 10.5905 12.3592 12.3645 12.4378 12.4380 12.7173 12.7185 14.6888 14.7015 14.7253 14.7269 16.5456 16.6005 16.6199 16.6551 16.6985 16.6998 18.6083 18.6174 k = 0.5195 0.2323 0.2360 ( 4707 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7774 -28.7749 -25.6252 -25.6225 -25.6205 -25.6190 -17.6788 -17.6749 -15.5909 -15.5885 -15.5672 -15.5671 5.1292 5.1383 9.3965 9.4131 10.4757 10.4764 10.5916 10.5929 12.3678 12.3745 12.4479 12.4483 12.7165 12.7176 14.6669 14.6836 14.7061 14.7089 16.5197 16.5811 16.6146 16.6514 16.6997 16.7012 18.6494 18.6609 k = 0.5234 0.2210 0.2424 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7777 -28.7746 -25.6257 -25.6227 -25.6203 -25.6184 -17.6791 -17.6745 -15.5911 -15.5882 -15.5673 -15.5672 5.1287 5.1395 9.4102 9.4298 10.4768 10.4768 10.5941 10.5962 12.3781 12.3864 12.4601 12.4609 12.7156 12.7165 14.6403 14.6614 14.6830 14.6874 16.4874 16.5492 16.6175 16.6494 16.7024 16.7040 18.6928 18.7068 k = 0.5273 0.2097 0.2488 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7779 -28.7744 -25.6263 -25.6230 -25.6202 -25.6179 -17.6795 -17.6741 -15.5913 -15.5879 -15.5675 -15.5674 5.1283 5.1407 9.4268 9.4492 10.4766 10.4777 10.5975 10.6008 12.3902 12.4003 12.4745 12.4758 12.7149 12.7151 14.6092 14.6346 14.6566 14.6626 16.4502 16.5129 16.6219 16.6494 16.7062 16.7078 18.7337 18.7493 k = 0.5312 0.1985 0.2552 ( 4715 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7782 -28.7742 -25.6269 -25.6232 -25.6201 -25.6174 -17.6798 -17.6737 -15.5915 -15.5876 -15.5678 -15.5675 5.1279 5.1419 9.4461 9.4712 10.4756 10.4782 10.6020 10.6068 12.4037 12.4159 12.4911 12.4928 12.7133 12.7143 14.5737 14.6030 14.6275 14.6347 16.4097 16.4740 16.6272 16.6510 16.7108 16.7124 18.7656 18.7804 k = 0.5352 0.1872 0.2615 ( 4710 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7785 -28.7740 -25.6274 -25.6235 -25.6200 -25.6168 -17.6802 -17.6734 -15.5917 -15.5872 -15.5680 -15.5677 5.1277 5.1431 9.4681 9.4957 10.4737 10.4783 10.6078 10.6144 12.4185 12.4333 12.5096 12.5120 12.7113 12.7141 14.5340 14.5666 14.5960 14.6038 16.3671 16.4337 16.6332 16.6540 16.7161 16.7177 18.7799 18.7894 k = 0.5391 0.1759 0.2679 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7787 -28.7738 -25.6280 -25.6237 -25.6199 -25.6163 -17.6805 -17.6731 -15.5919 -15.5869 -15.5683 -15.5678 5.1275 5.1444 9.4929 9.5226 10.4709 10.4778 10.6151 10.6235 12.4341 12.4522 12.5302 12.5333 12.7090 12.7145 14.4903 14.5257 14.5624 14.5703 16.3236 16.3929 16.6400 16.6582 16.7218 16.7236 18.7672 18.7687 k = 0.5430 0.1646 0.2743 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7789 -28.7736 -25.6285 -25.6239 -25.6199 -25.6158 -17.6808 -17.6727 -15.5920 -15.5865 -15.5687 -15.5680 5.1273 5.1456 9.5203 9.5518 10.4672 10.4767 10.6239 10.6343 12.4500 12.4724 12.5526 12.5565 12.7065 12.7158 14.4427 14.4805 14.5266 14.5343 16.2800 16.3521 16.6475 16.6634 16.7280 16.7300 18.7129 18.7287 k = 0.5469 0.1534 0.2807 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7791 -28.7734 -25.6290 -25.6242 -25.6198 -25.6154 -17.6811 -17.6724 -15.5922 -15.5861 -15.5690 -15.5682 5.1272 5.1467 9.5502 9.5832 10.4626 10.4751 10.6342 10.6466 12.4658 12.4937 12.5769 12.5816 12.7041 12.7186 14.3917 14.4314 14.4890 14.4961 16.2370 16.3121 16.6557 16.6696 16.7345 16.7369 18.6342 18.6633 k = 0.5508 0.1421 0.2870 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7793 -28.7732 -25.6294 -25.6244 -25.6198 -25.6149 -17.6814 -17.6721 -15.5924 -15.5857 -15.5694 -15.5684 5.1272 5.1479 9.5826 9.6167 10.4574 10.4730 10.6461 10.6605 12.4804 12.5157 12.6030 12.6082 12.7019 12.7234 14.3373 14.3789 14.4495 14.4558 16.1952 16.2733 16.6647 16.6766 16.7413 16.7442 18.5402 18.5794 k = 0.5547 0.1308 0.2934 ( 4707 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7796 -28.7731 -25.6299 -25.6247 -25.6197 -25.6145 -17.6817 -17.6718 -15.5926 -15.5853 -15.5698 -15.5685 5.1272 5.1489 9.6173 9.6520 10.4515 10.4708 10.6595 10.6759 12.4932 12.5376 12.6308 12.6359 12.7010 12.7309 14.2801 14.3232 14.4085 14.4138 16.1550 16.2360 16.6743 16.6845 16.7482 16.7518 18.4379 18.4839 k = 0.5586 0.1195 0.2998 ( 4709 PWs) bands (ev): -56.1300 -56.1300 -40.1411 -40.1409 -28.7798 -28.7729 -25.6303 -25.6249 -25.6197 -25.6141 -17.6819 -17.6716 -15.5927 -15.5849 -15.5702 -15.5687 5.1272 5.1500 9.6541 9.6888 10.4451 10.4685 10.6743 10.6926 12.5031 12.5582 12.6601 12.6634 12.7034 12.7418 14.2202 14.2648 14.3662 14.3703 16.1170 16.2007 16.6846 16.6931 16.7552 16.7598 18.3315 18.3818 k = 0.5625 0.1083 0.3062 ( 4701 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7799 -28.7728 -25.6307 -25.6252 -25.6197 -25.6137 -17.6822 -17.6713 -15.5929 -15.5845 -15.5707 -15.5688 5.1273 5.1509 9.6930 9.7270 10.4385 10.4665 10.6905 10.7106 12.5095 12.5756 12.6868 12.6910 12.7147 12.7565 14.1581 14.2040 14.3227 14.3255 16.0813 16.1675 16.6954 16.7024 16.7623 16.7680 18.2240 18.2766 k = 0.5664 0.0970 0.3126 ( 4709 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7801 -28.7727 -25.6311 -25.6254 -25.6197 -25.6134 -17.6824 -17.6711 -15.5931 -15.5841 -15.5712 -15.5690 5.1274 5.1517 9.7336 9.7661 10.4318 10.4651 10.7080 10.7299 12.5121 12.5873 12.7033 12.7232 12.7396 12.7751 14.0942 14.1413 14.2784 14.2796 16.0484 16.1369 16.7068 16.7123 16.7693 16.7766 18.1172 18.1706 k = 0.5703 0.0857 0.3189 ( 4708 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7803 -28.7726 -25.6314 -25.6256 -25.6197 -25.6131 -17.6826 -17.6709 -15.5933 -15.5837 -15.5716 -15.5691 5.1275 5.1525 9.7757 9.8056 10.4252 10.4648 10.7268 10.7504 12.5108 12.5916 12.7216 12.7567 12.7707 12.7974 14.0287 14.0771 14.2329 14.2336 16.0185 16.1091 16.7186 16.7227 16.7761 16.7855 18.0126 18.0656 k = 0.5742 0.0744 0.3253 ( 4707 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7804 -28.7725 -25.6317 -25.6259 -25.6197 -25.6128 -17.6827 -17.6707 -15.5934 -15.5833 -15.5722 -15.5692 5.1275 5.1531 9.8188 9.8450 10.4191 10.4659 10.7467 10.7720 12.5060 12.5892 12.7447 12.7913 12.8039 12.8227 13.9622 14.0118 14.1858 14.1885 15.9919 16.0842 16.7306 16.7334 16.7827 16.7946 17.9111 17.9628 k = 0.5781 0.0631 0.3317 ( 4703 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7805 -28.7724 -25.6320 -25.6261 -25.6198 -25.6125 -17.6829 -17.6705 -15.5936 -15.5829 -15.5727 -15.5694 5.1276 5.1536 9.8624 9.8837 10.4138 10.4691 10.7677 10.7947 12.4980 12.5818 12.7717 12.8265 12.8379 12.8507 13.8951 13.9459 14.1383 14.1433 15.9688 16.0626 16.7427 16.7445 16.7889 16.8040 17.8134 17.8630 k = 0.5820 0.0519 0.3381 ( 4701 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7806 -28.7723 -25.6322 -25.6263 -25.6198 -25.6123 -17.6830 -17.6704 -15.5938 -15.5824 -15.5732 -15.5695 5.1275 5.1539 9.9060 9.9206 10.4097 10.4750 10.7898 10.8184 12.4873 12.5707 12.8012 12.8615 12.8724 12.8812 13.8278 13.8798 14.0909 14.0986 15.9496 16.0445 16.7545 16.7555 16.7946 16.8138 17.7204 17.7671 k = 0.5859 0.0406 0.3445 ( 4699 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7807 -28.7722 -25.6324 -25.6265 -25.6198 -25.6121 -17.6831 -17.6703 -15.5940 -15.5820 -15.5737 -15.5695 5.1274 5.1541 9.9485 9.9551 10.4076 10.4843 10.8129 10.8431 12.4744 12.5569 12.8319 12.8951 12.9068 12.9147 13.7608 13.8140 14.0438 14.0544 15.9343 16.0300 16.7657 16.7661 16.7997 16.8239 17.6324 17.6756 k = 0.5898 0.0293 0.3508 ( 4703 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7808 -28.7722 -25.6326 -25.6266 -25.6199 -25.6120 -17.6832 -17.6702 -15.5941 -15.5816 -15.5743 -15.5696 5.1272 5.1541 9.9859 9.9889 10.4082 10.4979 10.8369 10.8687 12.4596 12.5411 12.8631 12.9266 12.9410 12.9509 13.6947 13.7490 13.9974 14.0114 15.9233 16.0193 16.7756 16.7758 16.8043 16.8344 17.5501 17.5891 k = 0.5938 0.0180 0.3572 ( 4703 PWs) bands (ev): -56.1300 -56.1299 -40.1413 -40.1411 -28.7809 -28.7722 -25.6328 -25.6268 -25.6199 -25.6118 -17.6833 -17.6701 -15.5943 -15.5812 -15.5748 -15.5697 5.1269 5.1539 10.0124 10.0258 10.4127 10.5161 10.8617 10.8951 12.4434 12.5238 12.8939 12.9558 12.9745 12.9887 13.6300 13.6853 13.9520 13.9699 15.9166 16.0126 16.7825 16.7840 16.8088 16.8454 17.4741 17.5080 k = 0.5977 0.0068 0.3636 ( 4703 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6329 -25.6270 -25.6200 -25.6117 -17.6833 -17.6700 -15.5944 -15.5808 -15.5753 -15.5697 5.1265 5.1534 10.0338 10.0576 10.4222 10.5393 10.8874 10.9224 12.4262 12.5055 12.9236 12.9828 13.0070 13.0270 13.5675 13.6236 13.9083 13.9303 15.9144 16.0100 16.7848 16.7893 16.8141 16.8567 17.4047 17.4328 k = 0.6016-0.0045 0.3700 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6329 -25.6271 -25.6200 -25.6116 -17.6834 -17.6700 -15.5946 -15.5805 -15.5758 -15.5698 5.1258 5.1527 10.0497 10.0826 10.4380 10.5675 10.9138 10.9503 12.4084 12.4867 12.9515 13.0069 13.0379 13.0650 13.5082 13.5646 13.8667 13.8934 15.9168 16.0115 16.7809 16.7906 16.8203 16.8682 17.3425 17.3640 k = 0.6055-0.0158 0.3764 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6330 -25.6272 -25.6201 -25.6116 -17.6834 -17.6700 -15.5947 -15.5802 -15.5762 -15.5698 5.1249 5.1517 10.0603 10.1001 10.4605 10.6001 10.9409 10.9790 12.3907 12.4681 12.9764 13.0268 13.0665 13.1017 13.4532 13.5091 13.8280 13.8598 15.9237 16.0172 16.7700 16.7861 16.8261 16.8794 17.2881 17.3023 k = 0.6094-0.0271 0.3827 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6330 -25.6274 -25.6202 -25.6116 -17.6834 -17.6700 -15.5948 -15.5800 -15.5766 -15.5698 5.1238 5.1504 10.0658 10.1097 10.4894 10.6362 10.9686 11.0082 12.3737 12.4502 12.9972 13.0408 13.0920 13.1363 13.4044 13.4585 13.7933 13.8302 15.9351 16.0269 16.7510 16.7735 16.8302 16.8897 17.2419 17.2483 k = 0.6133-0.0383 0.3891 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6330 -25.6275 -25.6202 -25.6116 -17.6834 -17.6700 -15.5949 -15.5799 -15.5768 -15.5699 5.1224 5.1486 10.0667 10.1123 10.5233 10.6748 10.9968 11.0378 12.3581 12.4337 13.0123 13.0463 13.1132 13.1677 13.3641 13.4146 13.7637 13.8057 15.9509 16.0406 16.7223 16.7502 16.8315 16.8982 17.2029 17.2046 k = 0.6172-0.0496 0.3955 ( 4709 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6329 -25.6276 -25.6203 -25.6116 -17.6833 -17.6701 -15.5949 -15.5799 -15.5770 -15.5699 5.1206 5.1465 10.0634 10.1089 10.5607 10.7149 11.0255 11.0679 12.3446 12.4196 13.0197 13.0409 13.1287 13.1942 13.3348 13.3796 13.7406 13.7870 15.9708 16.0580 16.6827 16.7138 16.8295 16.9040 17.1672 17.1766 k = 0.6211-0.0609 0.4019 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6328 -25.6276 -25.6204 -25.6116 -17.6833 -17.6702 -15.5950 -15.5801 -15.5769 -15.5699 5.1184 5.1439 10.0564 10.1004 10.6002 10.7553 11.0546 11.0982 12.3338 12.4084 13.0171 13.0237 13.1377 13.2136 13.3181 13.3558 13.7255 13.7749 15.9945 16.0787 16.6318 16.6635 16.8245 16.9061 17.1422 17.1581 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.6184-0.0684 0.4190 ( 4708 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6204 -25.6117 -17.6832 -17.6703 -15.5950 -15.5803 -15.5767 -15.5699 5.1159 5.1409 10.0458 10.0879 10.6400 10.7953 11.0859 11.1306 12.3264 12.4008 12.9951 13.0032 13.1388 13.2211 13.3074 13.3344 13.7305 13.7792 16.0220 16.1030 16.5680 16.5981 16.8174 16.9041 17.1191 17.1435 k = 0.6118-0.0646 0.4297 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6278 -25.6205 -25.6117 -17.6832 -17.6702 -15.5950 -15.5803 -15.5767 -15.5699 5.1162 5.1412 10.0454 10.0886 10.6390 10.7952 11.0916 11.1364 12.3256 12.3999 12.9911 13.0018 13.1355 13.2151 13.2885 13.3102 13.7604 13.8059 16.0233 16.1046 16.5601 16.5894 16.8167 16.9023 17.0968 17.1283 k = 0.6053-0.0608 0.4405 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6278 -25.6205 -25.6116 -17.6833 -17.6702 -15.5951 -15.5802 -15.5767 -15.5700 5.1166 5.1417 10.0447 10.0898 10.6374 10.7952 11.1007 11.1457 12.3243 12.3984 12.9844 12.9991 13.1297 13.2033 13.2616 13.2801 13.8022 13.8463 16.0254 16.1072 16.5474 16.5756 16.8155 16.8991 17.0675 17.1052 k = 0.5987-0.0570 0.4512 ( 4705 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6327 -25.6279 -25.6205 -25.6115 -17.6833 -17.6701 -15.5951 -15.5801 -15.5767 -15.5702 5.1172 5.1424 10.0438 10.0913 10.6356 10.7954 11.1129 11.1581 12.3225 12.3962 12.9748 12.9947 13.1206 13.1829 13.2332 13.2514 13.8504 13.8962 16.0283 16.1110 16.5305 16.5573 16.8137 16.8940 17.0346 17.0762 k = 0.5921-0.0532 0.4620 ( 4707 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7723 -25.6327 -25.6281 -25.6205 -25.6113 -17.6834 -17.6701 -15.5951 -15.5799 -15.5767 -15.5703 5.1180 5.1434 10.0429 10.0930 10.6338 10.7961 11.1276 11.1731 12.3203 12.3935 12.9618 12.9877 13.1060 13.1558 13.2071 13.2284 13.9019 13.9521 16.0321 16.1157 16.5101 16.5356 16.8111 16.8863 17.0005 17.0430 k = 0.5855-0.0494 0.4727 ( 4697 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6326 -25.6282 -25.6206 -25.6112 -17.6834 -17.6700 -15.5952 -15.5798 -15.5767 -15.5705 5.1189 5.1444 10.0420 10.0951 10.6324 10.7974 11.1442 11.1902 12.3178 12.3902 12.9453 12.9772 13.0824 13.1327 13.1824 13.2109 13.9549 14.0112 16.0367 16.1216 16.4872 16.5118 16.8077 16.8742 16.9674 17.0069 k = 0.5789-0.0456 0.4835 ( 4705 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7812 -28.7722 -25.6326 -25.6284 -25.6206 -25.6110 -17.6835 -17.6699 -15.5952 -15.5796 -15.5766 -15.5707 5.1199 5.1457 10.0412 10.0973 10.6315 10.7994 11.1619 11.2088 12.3150 12.3864 12.9254 12.9612 13.0537 13.1166 13.1602 13.1959 14.0082 14.0715 16.0422 16.1284 16.4627 16.4871 16.8034 16.8548 16.9379 16.9693 k = 0.5724-0.0418 0.4942 ( 4699 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7812 -28.7721 -25.6326 -25.6286 -25.6206 -25.6109 -17.6836 -17.6698 -15.5953 -15.5793 -15.5766 -15.5710 5.1210 5.1470 10.0405 10.0997 10.6312 10.8022 11.1803 11.2282 12.3120 12.3819 12.9028 12.9386 13.0280 13.1034 13.1416 13.1818 14.0606 14.1316 16.0487 16.1364 16.4377 16.4628 16.7980 16.8264 16.9104 16.9346 k = 0.5658-0.0380 0.5049 ( 4695 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7813 -28.7721 -25.6326 -25.6288 -25.6206 -25.6107 -17.6837 -17.6697 -15.5953 -15.5791 -15.5765 -15.5713 5.1223 5.1485 10.0400 10.1022 10.6318 10.8058 11.1986 11.2479 12.3089 12.3767 12.8784 12.9111 13.0074 13.0906 13.1266 13.1681 14.1113 14.1901 16.0563 16.1456 16.4132 16.4401 16.7876 16.7938 16.8750 16.9121 k = 0.5592-0.0342 0.5157 ( 4689 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7813 -28.7720 -25.6326 -25.6290 -25.6206 -25.6105 -17.6837 -17.6696 -15.5954 -15.5788 -15.5765 -15.5716 5.1235 5.1500 10.0399 10.1049 10.6331 10.8101 11.2163 11.2672 12.3058 12.3709 12.8533 12.8829 12.9902 13.0775 13.1147 13.1552 14.1595 14.2462 16.0651 16.1560 16.3903 16.4199 16.7480 16.7833 16.8342 16.8982 k = 0.5526-0.0304 0.5264 ( 4694 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7814 -28.7719 -25.6325 -25.6292 -25.6207 -25.6104 -17.6838 -17.6695 -15.5954 -15.5785 -15.5764 -15.5719 5.1249 5.1515 10.0400 10.1077 10.6350 10.8150 11.2328 11.2856 12.3026 12.3643 12.8286 12.8573 12.9743 13.0639 13.1051 13.1433 14.2043 14.2987 16.0753 16.1679 16.3700 16.4030 16.7039 16.7656 16.7989 16.8871 k = 0.5461-0.0266 0.5372 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7815 -28.7719 -25.6325 -25.6294 -25.6207 -25.6102 -17.6839 -17.6694 -15.5955 -15.5782 -15.5763 -15.5723 5.1262 5.1531 10.0404 10.1106 10.6375 10.8201 11.2477 11.3026 12.2994 12.3570 12.8059 12.8361 12.9587 13.0498 13.0972 13.1328 14.2451 14.3469 16.0875 16.1816 16.3528 16.3899 16.6579 16.7280 16.7816 16.8770 k = 0.5395-0.0228 0.5479 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7815 -28.7719 -25.6325 -25.6296 -25.6207 -25.6101 -17.6840 -17.6694 -15.5955 -15.5779 -15.5763 -15.5726 5.1275 5.1546 10.0412 10.1136 10.6402 10.8254 11.2608 11.3176 12.2963 12.3490 12.7870 12.8196 12.9431 13.0354 13.0903 13.1238 14.2813 14.3899 16.1020 16.1974 16.3391 16.3809 16.6111 16.6815 16.7719 16.8675 k = 0.5329-0.0190 0.5587 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6325 -25.6298 -25.6207 -25.6100 -17.6840 -17.6693 -15.5956 -15.5776 -15.5762 -15.5730 5.1287 5.1560 10.0421 10.1166 10.6431 10.8305 11.2717 11.3303 12.2932 12.3405 12.7730 12.8078 12.9276 13.0211 13.0843 13.1163 14.3123 14.4270 16.1193 16.2158 16.3289 16.3761 16.5641 16.6326 16.7638 16.8586 k = 0.5263-0.0152 0.5694 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6325 -25.6299 -25.6208 -25.6099 -17.6841 -17.6692 -15.5956 -15.5773 -15.5761 -15.5734 5.1298 5.1573 10.0433 10.1196 10.6458 10.8352 11.2804 11.3405 12.2903 12.3318 12.7645 12.8004 12.9126 13.0074 13.0791 13.1101 14.3378 14.4577 16.1399 16.2372 16.3214 16.3753 16.5181 16.5826 16.7566 16.8503 k = 0.5197-0.0114 0.5801 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6325 -25.6301 -25.6208 -25.6098 -17.6841 -17.6692 -15.5957 -15.5770 -15.5760 -15.5738 5.1308 5.1584 10.0446 10.1223 10.6480 10.8391 11.2868 11.3481 12.2877 12.3236 12.7611 12.7968 12.8986 12.9952 13.0745 13.1052 14.3575 14.4816 16.1641 16.2619 16.3154 16.3779 16.4746 16.5324 16.7503 16.8430 k = 0.5132-0.0076 0.5909 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7718 -25.6325 -25.6302 -25.6208 -25.6098 -17.6842 -17.6691 -15.5957 -15.5767 -15.5759 -15.5741 5.1315 5.1593 10.0458 10.1246 10.6497 10.8420 11.2911 11.3532 12.2855 12.3167 12.7618 12.7961 12.8866 12.9853 13.0708 13.1014 14.3714 14.4986 16.1918 16.2888 16.3089 16.3836 16.4371 16.4825 16.7452 16.8371 k = 0.5066-0.0038 0.6016 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7718 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5765 -15.5759 -15.5744 5.1320 5.1598 10.0467 10.1263 10.6507 10.8438 11.2935 11.3559 12.2840 12.3120 12.7646 12.7968 12.8780 12.9788 13.0680 13.0990 14.3795 14.5085 16.2217 16.2902 16.3229 16.3917 16.4117 16.4348 16.7418 16.8332 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7717 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5764 -15.5759 -15.5745 5.1322 5.1600 10.0470 10.1269 10.6510 10.8443 11.2943 11.3567 12.2834 12.3103 12.7662 12.7974 12.8747 12.9766 13.0669 13.0980 14.3822 14.5118 16.2432 16.2746 16.3425 16.4013 16.4016 16.4037 16.7405 16.8317 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7717 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5764 -15.5759 -15.5745 5.1322 5.1600 10.0470 10.1269 10.6510 10.8443 11.2943 11.3567 12.2834 12.3103 12.7662 12.7974 12.8747 12.9766 13.0669 13.0980 14.3822 14.5118 16.2432 16.2746 16.3425 16.4013 16.4016 16.4037 16.7405 16.8317 k = 0.5000 0.0078 0.6013 ( 4712 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7818 -28.7717 -25.6325 -25.6302 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5765 -15.5758 -15.5744 5.1322 5.1600 10.0472 10.1272 10.6472 10.8406 11.2909 11.3534 12.2846 12.3137 12.7683 12.8000 12.8765 12.9775 13.0686 13.0991 14.3790 14.5081 16.2101 16.3028 16.3228 16.3989 16.4109 16.4346 16.7427 16.8341 k = 0.5000 0.0156 0.5903 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7717 -25.6325 -25.6301 -25.6208 -25.6097 -17.6842 -17.6691 -15.5957 -15.5768 -15.5756 -15.5743 5.1321 5.1600 10.0478 10.1281 10.6359 10.8295 11.2811 11.3437 12.2888 12.3233 12.7736 12.8068 12.8829 12.9812 13.0733 13.1023 14.3698 14.4975 16.1682 16.2769 16.3469 16.4066 16.4357 16.4848 16.7494 16.8417 k = 0.5000 0.0234 0.5793 ( 4704 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7717 -25.6326 -25.6300 -25.6207 -25.6098 -17.6842 -17.6691 -15.5956 -15.5771 -15.5755 -15.5741 5.1320 5.1599 10.0486 10.1295 10.6177 10.8115 11.2653 11.3280 12.2965 12.3375 12.7791 12.8153 12.8964 12.9894 13.0805 13.1079 14.3549 14.4804 16.1299 16.2405 16.3701 16.4197 16.4807 16.5395 16.7615 16.8552 k = 0.5000 0.0312 0.5682 ( 4696 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7817 -28.7717 -25.6326 -25.6298 -25.6207 -25.6098 -17.6841 -17.6691 -15.5956 -15.5774 -15.5753 -15.5739 5.1319 5.1598 10.0496 10.1312 10.5934 10.7874 11.2441 11.3069 12.3078 12.3552 12.7819 12.8220 12.9190 13.0049 13.0895 13.1164 14.3355 14.4580 16.0963 16.2074 16.3864 16.4362 16.5371 16.5951 16.7808 16.8759 k = 0.5000 0.0390 0.5572 ( 4696 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7717 -25.6327 -25.6296 -25.6206 -25.6099 -17.6841 -17.6692 -15.5955 -15.5778 -15.5751 -15.5737 5.1318 5.1597 10.0504 10.1328 10.5640 10.7580 11.2185 11.2814 12.3223 12.3751 12.7807 12.8245 12.9491 13.0295 13.0988 13.1301 14.3126 14.4315 16.0675 16.1783 16.4011 16.4547 16.5952 16.6484 16.8103 16.9057 k = 0.5000 0.0468 0.5462 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6328 -25.6294 -25.6206 -25.6100 -17.6841 -17.6692 -15.5954 -15.5782 -15.5749 -15.5734 5.1316 5.1595 10.0509 10.1339 10.5309 10.7247 11.1893 11.2523 12.3394 12.3965 12.7760 12.8225 12.9809 13.0642 13.1067 13.1525 14.2877 14.4025 16.0436 16.1534 16.4156 16.4738 16.6482 16.6964 16.8533 16.9468 k = 0.5000 0.0546 0.5351 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1415 -40.1412 -28.7816 -28.7718 -25.6328 -25.6291 -25.6205 -25.6101 -17.6840 -17.6693 -15.5953 -15.5786 -15.5747 -15.5732 5.1313 5.1593 10.0506 10.1339 10.4957 10.6886 11.1573 11.2203 12.3582 12.4186 12.7687 12.8167 13.0072 13.1045 13.1177 13.1863 14.2622 14.3725 16.0243 16.1326 16.4299 16.4924 16.6925 16.7374 16.9113 17.0000 k = 0.5000 0.0624 0.5241 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7815 -28.7718 -25.6328 -25.6288 -25.6205 -25.6102 -17.6840 -17.6693 -15.5951 -15.5790 -15.5744 -15.5729 5.1311 5.1591 10.0490 10.1315 10.4602 10.6510 11.1233 11.1863 12.3781 12.4408 12.7595 12.8080 13.0241 13.1119 13.1687 13.2317 14.2377 14.3432 16.0093 16.1158 16.4436 16.5098 16.7284 16.7710 16.9819 17.0644 k = 0.5000 0.0702 0.5131 ( 4692 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7814 -28.7718 -25.6328 -25.6286 -25.6204 -25.6103 -17.6839 -17.6694 -15.5950 -15.5794 -15.5742 -15.5726 5.1308 5.1588 10.0455 10.1255 10.4266 10.6135 11.0879 11.1508 12.3984 12.4625 12.7490 12.7972 13.0322 13.1109 13.2325 13.2867 14.2157 14.3161 15.9985 16.1029 16.4565 16.5252 16.7581 16.7982 17.0612 17.1375 k = 0.5000 0.0780 0.5020 ( 4698 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7814 -28.7719 -25.6328 -25.6283 -25.6204 -25.6105 -17.6838 -17.6695 -15.5949 -15.5798 -15.5739 -15.5724 5.1305 5.1585 10.0393 10.1139 10.3973 10.5774 11.0518 11.1144 12.4184 12.4833 12.7378 12.7849 13.0329 13.1055 13.3020 13.3489 14.1975 14.2926 15.9916 16.0937 16.4683 16.5386 16.7832 16.8199 17.1456 17.2170 k = 0.5000 0.0858 0.4910 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7813 -28.7719 -25.6328 -25.6280 -25.6203 -25.6107 -17.6838 -17.6696 -15.5947 -15.5802 -15.5736 -15.5721 5.1302 5.1581 10.0296 10.0953 10.3746 10.5442 11.0154 11.0776 12.4377 12.5027 12.7262 12.7715 13.0273 13.0954 13.3752 13.4162 14.1844 14.2740 15.9885 16.0882 16.4790 16.5501 16.8037 16.8369 17.2332 17.3013 k = 0.5000 0.0936 0.4800 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7812 -28.7719 -25.6327 -25.6278 -25.6202 -25.6109 -17.6837 -17.6697 -15.5945 -15.5807 -15.5733 -15.5718 5.1299 5.1577 10.0156 10.0688 10.3595 10.5152 10.9791 11.0408 12.4557 12.5204 12.7146 12.7574 13.0160 13.0802 13.4509 13.4874 14.1770 14.2610 15.9889 16.0863 16.4886 16.5599 16.8196 16.8500 17.3230 17.3897 k = 0.5000 0.1014 0.4689 ( 4702 PWs) bands (ev): -56.1300 -56.1299 -40.1413 -40.1411 -28.7811 -28.7720 -25.6326 -25.6275 -25.6202 -25.6111 -17.6836 -17.6698 -15.5944 -15.5811 -15.5730 -15.5716 5.1296 5.1572 9.9969 10.0354 10.3518 10.4913 10.9432 11.0044 12.4722 12.5360 12.7033 12.7427 12.9994 13.0598 13.5282 13.5613 14.1759 14.2542 15.9928 16.0877 16.4973 16.5682 16.8307 16.8594 17.4149 17.4817 k = 0.5000 0.1092 0.4579 ( 4698 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7810 -28.7721 -25.6324 -25.6272 -25.6201 -25.6113 -17.6834 -17.6699 -15.5942 -15.5815 -15.5726 -15.5713 5.1293 5.1567 9.9732 9.9967 10.3500 10.4730 10.9081 10.9687 12.4866 12.5491 12.6930 12.7277 12.9781 13.0344 13.6061 13.6371 14.1812 14.2539 15.9999 16.0925 16.5052 16.5754 16.8372 16.8655 17.5091 17.5773 k = 0.5000 0.1170 0.4469 ( 4700 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7809 -28.7721 -25.6323 -25.6269 -25.6200 -25.6116 -17.6833 -17.6701 -15.5940 -15.5820 -15.5723 -15.5710 5.1290 5.1561 9.9449 9.9547 10.3527 10.4603 10.8740 10.9339 12.4987 12.5594 12.6840 12.7127 12.9528 13.0044 13.6842 13.7141 14.1925 14.2597 16.0101 16.1004 16.5124 16.5817 16.8398 16.8684 17.6060 17.6763 k = 0.5000 0.1248 0.4358 ( 4698 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7807 -28.7722 -25.6321 -25.6266 -25.6200 -25.6119 -17.6832 -17.6702 -15.5938 -15.5824 -15.5719 -15.5708 5.1287 5.1554 9.9097 9.9137 10.3583 10.4527 10.8411 10.9002 12.5079 12.5663 12.6767 12.6982 12.9243 12.9705 13.7619 13.7916 14.2094 14.2713 16.0234 16.1115 16.5192 16.5873 16.8390 16.8684 17.7061 17.7785 k = 0.5000 0.1326 0.4248 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7806 -28.7723 -25.6319 -25.6264 -25.6199 -25.6122 -17.6830 -17.6704 -15.5937 -15.5828 -15.5715 -15.5705 5.1284 5.1547 9.8655 9.8780 10.3660 10.4494 10.8096 10.8678 12.5137 12.5700 12.6700 12.6860 12.8937 12.9337 13.8387 13.8690 14.2312 14.2882 16.0397 16.1256 16.5257 16.5923 16.8353 16.8657 17.8093 17.8837 k = 0.5000 0.1404 0.4138 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7805 -28.7724 -25.6316 -25.6261 -25.6199 -25.6125 -17.6828 -17.6706 -15.5935 -15.5833 -15.5712 -15.5702 5.1282 5.1539 9.8209 9.8407 10.3751 10.4496 10.7797 10.8368 12.5156 12.5705 12.6598 12.6801 12.8619 12.8946 13.9143 13.9458 14.2570 14.3094 16.0588 16.1427 16.5319 16.5970 16.8294 16.8605 17.9155 17.9912 k = 0.5000 0.1482 0.4027 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7803 -28.7725 -25.6313 -25.6258 -25.6198 -25.6128 -17.6826 -17.6708 -15.5933 -15.5837 -15.5708 -15.5700 5.1279 5.1530 9.7771 9.8023 10.3849 10.4522 10.7516 10.8074 12.5135 12.5683 12.6463 12.6800 12.8302 12.8545 13.9883 14.0212 14.2861 14.3344 16.0807 16.1626 16.5381 16.6014 16.8217 16.8533 18.0242 18.1002 k = 0.5000 0.1560 0.3917 ( 4702 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7801 -28.7726 -25.6310 -25.6256 -25.6198 -25.6132 -17.6824 -17.6710 -15.5931 -15.5841 -15.5704 -15.5697 5.1277 5.1521 9.7345 9.7635 10.3952 10.4567 10.7253 10.7796 12.5076 12.5636 12.6318 12.6825 12.7993 12.8147 14.0605 14.0949 14.3178 14.3623 16.1053 16.1852 16.5443 16.6055 16.8125 16.8443 18.1347 18.2096 k = 0.5000 0.1638 0.3807 ( 4706 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7800 -28.7728 -25.6306 -25.6253 -25.6198 -25.6136 -17.6822 -17.6713 -15.5929 -15.5845 -15.5701 -15.5694 5.1275 5.1512 9.6935 9.7250 10.4055 10.4621 10.7011 10.7536 12.4988 12.5562 12.6165 12.6861 12.7667 12.7801 14.1304 14.1662 14.3513 14.3925 16.1326 16.2105 16.5505 16.6095 16.8021 16.8339 18.2460 18.3181 k = 0.5000 0.1716 0.3696 ( 4702 PWs) bands (ev): -56.1300 -56.1300 -40.1411 -40.1409 -28.7798 -28.7729 -25.6302 -25.6250 -25.6198 -25.6140 -17.6819 -17.6715 -15.5927 -15.5849 -15.5697 -15.5692 5.1274 5.1501 9.6543 9.6873 10.4157 10.4680 10.6791 10.7294 12.4879 12.5459 12.5999 12.6902 12.7288 12.7563 14.1977 14.2349 14.3860 14.4241 16.1624 16.2383 16.5567 16.6134 16.7909 16.8224 18.3565 18.4237 k = 0.5000 0.1794 0.3586 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7796 -28.7731 -25.6298 -25.6248 -25.6198 -25.6144 -17.6817 -17.6718 -15.5926 -15.5853 -15.5694 -15.5689 5.1273 5.1491 9.6172 9.6508 10.4255 10.4737 10.6594 10.7071 12.4757 12.5328 12.5817 12.6902 12.6945 12.7396 14.2621 14.3003 14.4213 14.4567 16.1945 16.2685 16.5631 16.6172 16.7791 16.8099 18.4642 18.5238 k = 0.5000 0.1872 0.3476 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7794 -28.7732 -25.6294 -25.6245 -25.6198 -25.6148 -17.6814 -17.6721 -15.5924 -15.5857 -15.5691 -15.5687 5.1273 5.1479 9.5824 9.6157 10.4348 10.4788 10.6422 10.6867 12.4628 12.5172 12.5624 12.6534 12.6983 12.7284 14.3233 14.3622 14.4567 14.4896 16.2289 16.3009 16.5696 16.6208 16.7669 16.7970 18.5659 18.6148 k = 0.5000 0.1951 0.3365 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7791 -28.7734 -25.6289 -25.6242 -25.6199 -25.6153 -17.6811 -17.6724 -15.5922 -15.5861 -15.5687 -15.5684 5.1273 5.1468 9.5500 9.5825 10.4432 10.4829 10.6276 10.6683 12.4494 12.4994 12.5431 12.6184 12.7019 12.7215 14.3809 14.4201 14.4917 14.5224 16.2652 16.3352 16.5760 16.6243 16.7548 16.7837 18.6565 18.6920 k = 0.5000 0.2029 0.3255 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7789 -28.7736 -25.6284 -25.6240 -25.6199 -25.6158 -17.6808 -17.6727 -15.5920 -15.5865 -15.5685 -15.5682 5.1273 5.1456 9.5200 9.5512 10.4509 10.4857 10.6158 10.6519 12.4360 12.4799 12.5249 12.5859 12.7052 12.7176 14.4348 14.4738 14.5260 14.5544 16.3030 16.3710 16.5824 16.6275 16.7430 16.7704 18.7289 18.7497 k = 0.5000 0.2107 0.3145 ( 4710 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7787 -28.7738 -25.6279 -25.6237 -25.6200 -25.6163 -17.6805 -17.6731 -15.5919 -15.5869 -15.5682 -15.5680 5.1275 5.1444 9.4926 9.5222 10.4574 10.4870 10.6066 10.6375 12.4228 12.4596 12.5081 12.5560 12.7081 12.7156 14.4847 14.5228 14.5591 14.5854 16.3419 16.4081 16.5885 16.6307 16.7318 16.7574 18.7735 18.7842 k = 0.5000 0.2185 0.3034 ( 4714 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7785 -28.7740 -25.6274 -25.6235 -25.6201 -25.6168 -17.6802 -17.6734 -15.5917 -15.5872 -15.5679 -15.5678 5.1277 5.1431 9.4679 9.4954 10.4629 10.4868 10.6000 10.6251 12.4101 12.4396 12.4927 12.5290 12.7106 12.7149 14.5302 14.5668 14.5909 14.6149 16.3812 16.4457 16.5941 16.6336 16.7215 16.7450 18.7834 18.7956 k = 0.5000 0.2263 0.2924 ( 4708 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7782 -28.7742 -25.6269 -25.6232 -25.6201 -25.6173 -17.6798 -17.6737 -15.5915 -15.5876 -15.5677 -15.5676 5.1280 5.1419 9.4459 9.4710 10.4672 10.4855 10.5954 10.6148 12.3979 12.4206 12.4787 12.5050 12.7127 12.7150 14.5713 14.6051 14.6217 14.6425 16.4201 16.4834 16.5990 16.6366 16.7124 16.7336 18.7668 18.7822 k = 0.5000 0.2341 0.2814 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7779 -28.7744 -25.6263 -25.6230 -25.6202 -25.6178 -17.6795 -17.6741 -15.5913 -15.5879 -15.5675 -15.5674 5.1283 5.1407 9.4266 9.4490 10.4703 10.4835 10.5925 10.6064 12.3865 12.4034 12.4660 12.4841 12.7143 12.7156 14.6078 14.6369 14.6516 14.6679 16.4574 16.5202 16.6026 16.6399 16.7050 16.7234 18.7339 18.7495 k = 0.5000 0.2419 0.2703 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7777 -28.7746 -25.6257 -25.6227 -25.6203 -25.6184 -17.6791 -17.6745 -15.5911 -15.5882 -15.5673 -15.5673 5.1287 5.1395 9.4101 9.4297 10.4723 10.4810 10.5906 10.5999 12.3760 12.3882 12.4546 12.4662 12.7155 12.7167 14.6396 14.6629 14.6796 14.6908 16.4920 16.5552 16.6048 16.6440 16.6995 16.7148 18.6926 18.7065 k = 0.5000 0.2497 0.2593 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7774 -28.7749 -25.6252 -25.6225 -25.6205 -25.6190 -17.6788 -17.6749 -15.5909 -15.5885 -15.5672 -15.5671 5.1292 5.1383 9.3964 9.4129 10.4734 10.4787 10.5895 10.5950 12.3668 12.3753 12.4446 12.4514 12.7164 12.7177 14.6666 14.6844 14.7042 14.7109 16.5222 16.5869 16.6054 16.6490 16.6962 16.7082 18.6492 18.6606 k = 0.5000 0.2575 0.2483 ( 4700 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7772 -28.7751 -25.6246 -25.6223 -25.6206 -25.6195 -17.6784 -17.6752 -15.5907 -15.5888 -15.5670 -15.5670 5.1298 5.1371 9.3855 9.3989 10.4737 10.4766 10.5887 10.5916 12.3588 12.3648 12.4361 12.4396 12.7173 12.7185 14.6888 14.7018 14.7244 14.7280 16.5467 16.6033 16.6156 16.6547 16.6955 16.7039 18.6082 18.6171 k = 0.5000 0.2653 0.2372 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7769 -28.7753 -25.6240 -25.6221 -25.6207 -25.6201 -17.6780 -17.6756 -15.5905 -15.5891 -15.5669 -15.5669 5.1305 5.1360 9.3773 9.3875 10.4735 10.4750 10.5881 10.5894 12.3525 12.3566 12.4291 12.4307 12.7180 12.7191 14.7062 14.7153 14.7402 14.7416 16.5649 16.6016 16.6370 16.6599 16.6975 16.7022 18.5731 18.5796 k = 0.5000 0.2731 0.2262 ( 4696 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7766 -28.7756 -25.6234 -25.6220 -25.6209 -25.6206 -17.6776 -17.6760 -15.5903 -15.5893 -15.5669 -15.5669 5.1312 5.1349 9.3720 9.3789 10.4730 10.4739 10.5877 10.5881 12.3480 12.3506 12.4240 12.4244 12.7187 12.7194 14.7189 14.7247 14.7513 14.7517 16.5774 16.5989 16.6518 16.6634 16.7014 16.7031 18.5465 18.5508 k = 0.5000 0.2809 0.2152 ( 4674 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7763 -28.7758 -25.6228 -25.6220 -25.6209 -25.6209 -17.6772 -17.6764 -15.5901 -15.5896 -15.5668 -15.5668 5.1320 5.1339 9.3696 9.3730 10.4728 10.4732 10.5874 10.5874 12.3455 12.3468 12.4208 12.4208 12.7191 12.7195 14.7271 14.7299 14.7579 14.7579 16.5856 16.5955 16.6601 16.6648 16.7051 16.7053 18.5302 18.5323 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7760 -28.7760 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1329 5.1329 9.3699 9.3699 10.4728 10.4728 10.5873 10.5873 12.3451 12.3451 12.4197 12.4197 12.7194 12.7194 14.7307 14.7307 14.7601 14.7601 16.5913 16.5913 16.6639 16.6639 16.7066 16.7066 18.5253 18.5253 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -56.1301 -56.1301 -40.1408 -40.1408 -28.7760 -28.7760 -25.6223 -25.6223 -25.6210 -25.6210 -17.6768 -17.6768 -15.5898 -15.5898 -15.5668 -15.5668 5.1329 5.1329 9.3699 9.3699 10.4728 10.4728 10.5873 10.5873 12.3451 12.3451 12.4197 12.4197 12.7194 12.7194 14.7307 14.7307 14.7601 14.7601 16.5913 16.5913 16.6639 16.6639 16.7066 16.7066 18.5253 18.5253 k = 0.4961 0.2864 0.2169 ( 4679 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7763 -28.7758 -25.6228 -25.6220 -25.6209 -25.6209 -17.6772 -17.6764 -15.5901 -15.5896 -15.5668 -15.5668 5.1320 5.1339 9.3696 9.3730 10.4728 10.4732 10.5874 10.5874 12.3455 12.3468 12.4208 12.4208 12.7191 12.7195 14.7271 14.7299 14.7579 14.7579 16.5856 16.5955 16.6601 16.6648 16.7052 16.7053 18.5302 18.5323 k = 0.4922 0.2842 0.2296 ( 4697 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7766 -28.7756 -25.6234 -25.6220 -25.6209 -25.6206 -17.6776 -17.6760 -15.5903 -15.5893 -15.5669 -15.5669 5.1312 5.1349 9.3721 9.3789 10.4731 10.4739 10.5878 10.5879 12.3480 12.3506 12.4242 12.4243 12.7187 12.7194 14.7189 14.7247 14.7514 14.7516 16.5773 16.5989 16.6519 16.6634 16.7021 16.7024 18.5465 18.5508 k = 0.4883 0.2819 0.2424 ( 4702 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7769 -28.7753 -25.6240 -25.6221 -25.6207 -25.6201 -17.6780 -17.6756 -15.5905 -15.5891 -15.5669 -15.5669 5.1305 5.1360 9.3774 9.3875 10.4737 10.4748 10.5886 10.5889 12.3526 12.3565 12.4299 12.4300 12.7180 12.7191 14.7062 14.7152 14.7405 14.7412 16.5646 16.6015 16.6376 16.6597 16.6993 16.7002 18.5732 18.5798 k = 0.4844 0.2797 0.2552 ( 4701 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7772 -28.7751 -25.6246 -25.6223 -25.6206 -25.6195 -17.6784 -17.6752 -15.5907 -15.5888 -15.5670 -15.5670 5.1298 5.1371 9.3855 9.3989 10.4747 10.4757 10.5898 10.5905 12.3592 12.3645 12.4378 12.4380 12.7173 12.7185 14.6888 14.7015 14.7253 14.7269 16.5456 16.6005 16.6199 16.6551 16.6985 16.6998 18.6083 18.6174 k = 0.4805 0.2774 0.2679 ( 4707 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7774 -28.7749 -25.6252 -25.6225 -25.6205 -25.6190 -17.6788 -17.6749 -15.5909 -15.5885 -15.5672 -15.5671 5.1292 5.1383 9.3965 9.4131 10.4757 10.4764 10.5916 10.5929 12.3678 12.3745 12.4479 12.4483 12.7165 12.7176 14.6669 14.6836 14.7061 14.7089 16.5197 16.5811 16.6146 16.6514 16.6997 16.7012 18.6494 18.6609 k = 0.4766 0.2751 0.2807 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7777 -28.7746 -25.6257 -25.6227 -25.6203 -25.6184 -17.6791 -17.6745 -15.5911 -15.5882 -15.5673 -15.5672 5.1287 5.1395 9.4102 9.4298 10.4768 10.4768 10.5941 10.5962 12.3781 12.3864 12.4601 12.4609 12.7156 12.7165 14.6403 14.6614 14.6830 14.6874 16.4874 16.5492 16.6175 16.6494 16.7024 16.7040 18.6928 18.7068 k = 0.4727 0.2729 0.2934 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1409 -40.1408 -28.7779 -28.7744 -25.6263 -25.6230 -25.6202 -25.6179 -17.6795 -17.6741 -15.5913 -15.5879 -15.5675 -15.5674 5.1283 5.1407 9.4268 9.4492 10.4766 10.4777 10.5975 10.6008 12.3902 12.4003 12.4745 12.4758 12.7149 12.7151 14.6092 14.6346 14.6566 14.6626 16.4502 16.5129 16.6219 16.6494 16.7062 16.7078 18.7337 18.7493 k = 0.4688 0.2706 0.3062 ( 4715 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7782 -28.7742 -25.6269 -25.6232 -25.6201 -25.6173 -17.6798 -17.6737 -15.5915 -15.5876 -15.5678 -15.5675 5.1279 5.1419 9.4461 9.4712 10.4756 10.4782 10.6020 10.6068 12.4037 12.4159 12.4911 12.4928 12.7133 12.7143 14.5737 14.6030 14.6275 14.6347 16.4097 16.4740 16.6272 16.6510 16.7108 16.7124 18.7656 18.7804 k = 0.4648 0.2684 0.3189 ( 4710 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7785 -28.7740 -25.6274 -25.6235 -25.6200 -25.6168 -17.6802 -17.6734 -15.5917 -15.5872 -15.5680 -15.5677 5.1277 5.1431 9.4681 9.4957 10.4737 10.4783 10.6078 10.6144 12.4185 12.4333 12.5096 12.5120 12.7113 12.7141 14.5340 14.5666 14.5960 14.6038 16.3671 16.4337 16.6332 16.6540 16.7161 16.7177 18.7799 18.7894 k = 0.4609 0.2661 0.3317 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7787 -28.7738 -25.6280 -25.6237 -25.6199 -25.6163 -17.6805 -17.6731 -15.5919 -15.5869 -15.5683 -15.5678 5.1275 5.1444 9.4929 9.5226 10.4709 10.4778 10.6151 10.6235 12.4341 12.4522 12.5302 12.5333 12.7090 12.7145 14.4903 14.5257 14.5624 14.5703 16.3236 16.3929 16.6400 16.6582 16.7218 16.7236 18.7672 18.7687 k = 0.4570 0.2639 0.3445 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1410 -40.1409 -28.7789 -28.7736 -25.6285 -25.6239 -25.6199 -25.6158 -17.6808 -17.6727 -15.5920 -15.5865 -15.5687 -15.5680 5.1273 5.1456 9.5203 9.5518 10.4672 10.4767 10.6239 10.6343 12.4500 12.4724 12.5526 12.5565 12.7065 12.7158 14.4427 14.4805 14.5266 14.5343 16.2800 16.3521 16.6475 16.6634 16.7280 16.7300 18.7129 18.7287 k = 0.4531 0.2616 0.3572 ( 4706 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7791 -28.7734 -25.6290 -25.6242 -25.6198 -25.6154 -17.6811 -17.6724 -15.5922 -15.5861 -15.5690 -15.5682 5.1272 5.1467 9.5502 9.5832 10.4626 10.4751 10.6342 10.6466 12.4658 12.4937 12.5769 12.5816 12.7041 12.7186 14.3917 14.4314 14.4890 14.4961 16.2370 16.3121 16.6557 16.6696 16.7345 16.7369 18.6342 18.6633 k = 0.4492 0.2594 0.3700 ( 4704 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7793 -28.7732 -25.6294 -25.6244 -25.6198 -25.6149 -17.6814 -17.6721 -15.5924 -15.5857 -15.5694 -15.5684 5.1272 5.1479 9.5826 9.6167 10.4574 10.4730 10.6461 10.6605 12.4804 12.5157 12.6030 12.6082 12.7019 12.7234 14.3373 14.3789 14.4495 14.4558 16.1952 16.2733 16.6647 16.6766 16.7413 16.7442 18.5402 18.5794 k = 0.4453 0.2571 0.3827 ( 4707 PWs) bands (ev): -56.1301 -56.1301 -40.1411 -40.1409 -28.7796 -28.7731 -25.6299 -25.6247 -25.6197 -25.6145 -17.6817 -17.6718 -15.5926 -15.5853 -15.5698 -15.5685 5.1272 5.1489 9.6173 9.6520 10.4515 10.4708 10.6595 10.6759 12.4932 12.5376 12.6308 12.6359 12.7010 12.7309 14.2801 14.3232 14.4085 14.4138 16.1550 16.2360 16.6743 16.6845 16.7482 16.7518 18.4379 18.4839 k = 0.4414 0.2548 0.3955 ( 4709 PWs) bands (ev): -56.1300 -56.1300 -40.1411 -40.1409 -28.7798 -28.7729 -25.6303 -25.6249 -25.6197 -25.6141 -17.6819 -17.6716 -15.5927 -15.5849 -15.5702 -15.5687 5.1272 5.1500 9.6541 9.6888 10.4451 10.4685 10.6743 10.6926 12.5031 12.5582 12.6601 12.6634 12.7034 12.7418 14.2202 14.2648 14.3662 14.3703 16.1170 16.2007 16.6846 16.6931 16.7552 16.7598 18.3315 18.3818 k = 0.4375 0.2526 0.4082 ( 4701 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7799 -28.7728 -25.6307 -25.6252 -25.6197 -25.6137 -17.6822 -17.6713 -15.5929 -15.5845 -15.5707 -15.5688 5.1273 5.1509 9.6930 9.7270 10.4385 10.4665 10.6905 10.7106 12.5095 12.5756 12.6868 12.6910 12.7147 12.7565 14.1581 14.2040 14.3227 14.3255 16.0813 16.1675 16.6954 16.7024 16.7623 16.7680 18.2240 18.2766 k = 0.4336 0.2503 0.4210 ( 4709 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7801 -28.7727 -25.6311 -25.6254 -25.6197 -25.6134 -17.6824 -17.6711 -15.5931 -15.5841 -15.5712 -15.5690 5.1274 5.1517 9.7336 9.7661 10.4318 10.4651 10.7080 10.7299 12.5121 12.5873 12.7033 12.7232 12.7396 12.7751 14.0942 14.1413 14.2784 14.2796 16.0484 16.1369 16.7068 16.7123 16.7693 16.7766 18.1172 18.1706 k = 0.4297 0.2481 0.4338 ( 4708 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7803 -28.7726 -25.6314 -25.6256 -25.6197 -25.6131 -17.6826 -17.6709 -15.5933 -15.5837 -15.5716 -15.5691 5.1275 5.1525 9.7757 9.8056 10.4252 10.4648 10.7268 10.7504 12.5108 12.5916 12.7216 12.7567 12.7707 12.7974 14.0287 14.0771 14.2329 14.2336 16.0185 16.1091 16.7186 16.7227 16.7761 16.7855 18.0126 18.0656 k = 0.4258 0.2458 0.4465 ( 4707 PWs) bands (ev): -56.1300 -56.1300 -40.1412 -40.1410 -28.7804 -28.7725 -25.6317 -25.6259 -25.6197 -25.6128 -17.6827 -17.6707 -15.5934 -15.5833 -15.5722 -15.5692 5.1275 5.1531 9.8188 9.8450 10.4191 10.4659 10.7467 10.7720 12.5060 12.5892 12.7447 12.7913 12.8039 12.8227 13.9622 14.0118 14.1858 14.1885 15.9919 16.0842 16.7306 16.7334 16.7827 16.7946 17.9111 17.9628 k = 0.4219 0.2436 0.4593 ( 4703 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7805 -28.7724 -25.6320 -25.6261 -25.6198 -25.6125 -17.6829 -17.6705 -15.5936 -15.5829 -15.5727 -15.5694 5.1276 5.1536 9.8624 9.8837 10.4138 10.4691 10.7677 10.7947 12.4980 12.5818 12.7717 12.8265 12.8379 12.8507 13.8951 13.9459 14.1383 14.1433 15.9688 16.0626 16.7427 16.7445 16.7889 16.8040 17.8134 17.8630 k = 0.4180 0.2413 0.4720 ( 4701 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1410 -28.7806 -28.7723 -25.6322 -25.6263 -25.6198 -25.6123 -17.6830 -17.6704 -15.5938 -15.5824 -15.5732 -15.5695 5.1275 5.1539 9.9060 9.9206 10.4097 10.4750 10.7898 10.8184 12.4873 12.5707 12.8012 12.8615 12.8724 12.8812 13.8278 13.8798 14.0909 14.0986 15.9496 16.0445 16.7545 16.7555 16.7946 16.8138 17.7204 17.7671 k = 0.4141 0.2391 0.4848 ( 4699 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7807 -28.7722 -25.6324 -25.6265 -25.6198 -25.6121 -17.6831 -17.6703 -15.5940 -15.5820 -15.5737 -15.5695 5.1274 5.1541 9.9485 9.9551 10.4076 10.4843 10.8129 10.8431 12.4744 12.5569 12.8319 12.8951 12.9068 12.9147 13.7608 13.8140 14.0438 14.0544 15.9343 16.0300 16.7657 16.7661 16.7997 16.8239 17.6324 17.6756 k = 0.4102 0.2368 0.4976 ( 4703 PWs) bands (ev): -56.1300 -56.1300 -40.1413 -40.1411 -28.7808 -28.7722 -25.6326 -25.6266 -25.6199 -25.6120 -17.6832 -17.6702 -15.5941 -15.5816 -15.5743 -15.5696 5.1272 5.1541 9.9859 9.9889 10.4082 10.4979 10.8369 10.8687 12.4596 12.5411 12.8631 12.9266 12.9410 12.9509 13.6947 13.7490 13.9974 14.0114 15.9233 16.0193 16.7756 16.7758 16.8043 16.8344 17.5501 17.5891 k = 0.4062 0.2345 0.5103 ( 4703 PWs) bands (ev): -56.1300 -56.1299 -40.1413 -40.1411 -28.7809 -28.7722 -25.6328 -25.6268 -25.6199 -25.6118 -17.6833 -17.6701 -15.5943 -15.5812 -15.5748 -15.5697 5.1269 5.1539 10.0124 10.0258 10.4127 10.5161 10.8617 10.8951 12.4434 12.5238 12.8939 12.9558 12.9745 12.9887 13.6300 13.6853 13.9520 13.9699 15.9166 16.0126 16.7825 16.7840 16.8088 16.8454 17.4741 17.5080 k = 0.4023 0.2323 0.5231 ( 4703 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6329 -25.6270 -25.6200 -25.6117 -17.6833 -17.6700 -15.5944 -15.5808 -15.5753 -15.5697 5.1265 5.1534 10.0338 10.0576 10.4222 10.5393 10.8874 10.9224 12.4262 12.5055 12.9236 12.9828 13.0070 13.0270 13.5675 13.6236 13.9083 13.9303 15.9144 16.0100 16.7848 16.7893 16.8141 16.8567 17.4047 17.4328 k = 0.3984 0.2300 0.5358 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6329 -25.6271 -25.6200 -25.6116 -17.6834 -17.6700 -15.5946 -15.5805 -15.5758 -15.5698 5.1258 5.1527 10.0497 10.0826 10.4380 10.5675 10.9138 10.9503 12.4084 12.4867 12.9515 13.0069 13.0379 13.0650 13.5082 13.5646 13.8667 13.8934 15.9168 16.0115 16.7809 16.7906 16.8203 16.8682 17.3425 17.3640 k = 0.3945 0.2278 0.5486 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1411 -28.7810 -28.7722 -25.6330 -25.6272 -25.6201 -25.6116 -17.6834 -17.6700 -15.5947 -15.5802 -15.5762 -15.5698 5.1249 5.1517 10.0603 10.1001 10.4605 10.6001 10.9409 10.9790 12.3907 12.4681 12.9764 13.0268 13.0665 13.1017 13.4532 13.5091 13.8280 13.8598 15.9237 16.0172 16.7700 16.7861 16.8261 16.8794 17.2881 17.3023 k = 0.3906 0.2255 0.5613 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6330 -25.6274 -25.6202 -25.6116 -17.6834 -17.6700 -15.5948 -15.5800 -15.5766 -15.5698 5.1238 5.1504 10.0658 10.1097 10.4894 10.6362 10.9686 11.0082 12.3737 12.4502 12.9972 13.0408 13.0920 13.1363 13.4044 13.4585 13.7933 13.8302 15.9351 16.0269 16.7510 16.7735 16.8302 16.8897 17.2419 17.2483 k = 0.3867 0.2233 0.5741 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7811 -28.7722 -25.6330 -25.6275 -25.6202 -25.6116 -17.6834 -17.6700 -15.5949 -15.5799 -15.5768 -15.5699 5.1224 5.1486 10.0667 10.1123 10.5233 10.6748 10.9968 11.0378 12.3581 12.4337 13.0123 13.0463 13.1132 13.1677 13.3641 13.4146 13.7637 13.8057 15.9509 16.0406 16.7223 16.7502 16.8315 16.8982 17.2029 17.2046 k = 0.3828 0.2210 0.5869 ( 4709 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6329 -25.6276 -25.6203 -25.6116 -17.6833 -17.6701 -15.5949 -15.5799 -15.5770 -15.5699 5.1206 5.1465 10.0634 10.1089 10.5607 10.7149 11.0255 11.0679 12.3446 12.4196 13.0197 13.0409 13.1287 13.1942 13.3348 13.3796 13.7406 13.7870 15.9708 16.0580 16.6827 16.7138 16.8295 16.9040 17.1672 17.1766 k = 0.3789 0.2188 0.5996 ( 4702 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7723 -25.6328 -25.6276 -25.6204 -25.6116 -17.6833 -17.6702 -15.5950 -15.5801 -15.5769 -15.5699 5.1184 5.1439 10.0564 10.1004 10.6002 10.7553 11.0546 11.0982 12.3338 12.4084 13.0171 13.0237 13.1377 13.2136 13.3181 13.3558 13.7255 13.7749 15.9945 16.0787 16.6318 16.6635 16.8245 16.9061 17.1422 17.1581 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7810 -28.7724 -25.6327 -25.6277 -25.6205 -25.6117 -17.6832 -17.6703 -15.5950 -15.5804 -15.5767 -15.5699 5.1158 5.1408 10.0460 10.0877 10.6404 10.7954 11.0840 11.1287 12.3266 12.4011 12.9965 13.0035 13.1399 13.2229 13.3142 13.3438 13.7194 13.7698 16.0216 16.1024 16.5706 16.6010 16.8176 16.9047 17.1281 17.1488 k = 0.6184-0.0836 0.4082 ( 4706 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7809 -28.7725 -25.6325 -25.6278 -25.6206 -25.6119 -17.6830 -17.6705 -15.5950 -15.5809 -15.5764 -15.5699 5.1107 5.1348 10.0261 10.0638 10.7082 10.8624 11.1339 11.1803 12.3180 12.3927 12.9405 12.9641 13.1397 13.2284 13.3219 13.3397 13.7174 13.7675 16.0697 16.1441 16.4584 16.4858 16.8066 16.9008 17.1143 17.1409 k = 0.6118-0.0950 0.4082 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7807 -28.7727 -25.6322 -25.6278 -25.6207 -25.6121 -17.6829 -17.6707 -15.5950 -15.5815 -15.5760 -15.5699 5.1051 5.1282 10.0070 10.0415 10.7756 10.9298 11.1842 11.2325 12.3098 12.3852 12.8798 12.9126 13.1422 13.2338 13.3359 13.3461 13.7160 13.7659 16.1170 16.1832 16.3445 16.3709 16.7980 16.8988 17.1032 17.1344 k = 0.6053-0.1064 0.4082 ( 4700 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7806 -28.7728 -25.6319 -25.6279 -25.6208 -25.6123 -17.6827 -17.6709 -15.5950 -15.5821 -15.5757 -15.5699 5.0993 5.1213 9.9891 10.0208 10.8422 10.9970 11.2347 11.2848 12.3021 12.3788 12.8169 12.8536 13.1473 13.2397 13.3537 13.3592 13.7154 13.7648 16.1627 16.2051 16.2305 16.2719 16.7916 16.8984 17.0943 17.1287 k = 0.5987-0.1177 0.4082 ( 4700 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7804 -28.7730 -25.6316 -25.6279 -25.6208 -25.6125 -17.6825 -17.6712 -15.5949 -15.5827 -15.5753 -15.5699 5.0932 5.1142 9.9723 10.0016 10.9078 11.0633 11.2850 11.3371 12.2948 12.3735 12.7534 12.7904 13.1543 13.2461 13.3740 13.3766 13.7153 13.7643 16.1169 16.1251 16.2071 16.2744 16.7877 16.8996 17.0871 17.1233 k = 0.5921-0.1291 0.4082 ( 4700 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7803 -28.7731 -25.6312 -25.6279 -25.6209 -25.6128 -17.6822 -17.6715 -15.5948 -15.5834 -15.5749 -15.5699 5.0871 5.1069 9.9568 9.9838 10.9719 11.1283 11.3347 11.3888 12.2877 12.3693 12.6906 12.7252 13.1629 13.2534 13.3959 13.3968 13.7158 13.7644 16.0060 16.0153 16.2481 16.3061 16.7862 16.9024 17.0811 17.1178 k = 0.5855-0.1405 0.4082 ( 4696 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7801 -28.7733 -25.6309 -25.6279 -25.6210 -25.6131 -17.6820 -17.6718 -15.5947 -15.5840 -15.5746 -15.5699 5.0811 5.0997 9.9425 9.9675 11.0344 11.1918 11.3836 11.4398 12.2801 12.3663 12.6298 12.6595 13.1728 13.2614 13.4188 13.4189 13.7169 13.7648 15.8977 15.9063 16.2860 16.3371 16.7875 16.9071 17.0756 17.1120 k = 0.5789-0.1519 0.4082 ( 4700 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1412 -28.7799 -28.7735 -25.6305 -25.6279 -25.6210 -25.6135 -17.6817 -17.6721 -15.5946 -15.5846 -15.5742 -15.5699 5.0752 5.0925 9.9296 9.9526 11.0951 11.2532 11.4313 11.4894 12.2712 12.3643 12.5725 12.5941 13.1839 13.2702 13.4419 13.4425 13.7187 13.7657 15.7930 15.8005 16.3199 16.3650 16.7917 16.9139 17.0700 17.1055 k = 0.5724-0.1633 0.4082 ( 4708 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7797 -28.7738 -25.6302 -25.6279 -25.6211 -25.6138 -17.6814 -17.6725 -15.5944 -15.5852 -15.5739 -15.5700 5.0695 5.0855 9.9179 9.9390 11.1537 11.3125 11.4773 11.5374 12.2594 12.3630 12.5204 12.5298 13.1962 13.2798 13.4655 13.4661 13.7211 13.7670 15.6924 15.6988 16.3496 16.3892 16.7990 16.9229 17.0640 17.0986 k = 0.5658-0.1747 0.4082 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7795 -28.7740 -25.6298 -25.6279 -25.6211 -25.6142 -17.6811 -17.6728 -15.5942 -15.5858 -15.5735 -15.5700 5.0641 5.0787 9.9075 9.9267 11.2103 11.3694 11.5213 11.5834 12.2425 12.3614 12.4678 12.4759 13.2097 13.2902 13.4889 13.4890 13.7244 13.7687 15.5968 15.6022 16.3748 16.4095 16.8092 16.9340 17.0575 17.0914 k = 0.5592-0.1861 0.4082 ( 4704 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7792 -28.7742 -25.6295 -25.6279 -25.6210 -25.6146 -17.6807 -17.6732 -15.5940 -15.5864 -15.5732 -15.5701 5.0591 5.0724 9.8983 9.9157 11.2648 11.4238 11.5630 11.6268 12.2184 12.3552 12.4126 12.4413 13.2243 13.3012 13.5107 13.5116 13.7287 13.7708 15.5068 15.5112 16.3954 16.4257 16.8221 16.9470 17.0506 17.0843 k = 0.5526-0.1975 0.4082 ( 4710 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7790 -28.7745 -25.6292 -25.6279 -25.6210 -25.6151 -17.6804 -17.6736 -15.5938 -15.5870 -15.5729 -15.5701 5.0545 5.0664 9.8903 9.9059 11.3173 11.4755 11.6021 11.6675 12.1865 12.3246 12.3840 12.4173 13.2399 13.3127 13.5302 13.5326 13.7343 13.7735 15.4231 15.4268 16.4119 16.4383 16.8374 16.9615 17.0436 17.0776 k = 0.5461-0.2089 0.4082 ( 4722 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7787 -28.7748 -25.6289 -25.6278 -25.6209 -25.6156 -17.6800 -17.6740 -15.5936 -15.5875 -15.5726 -15.5702 5.0504 5.0609 9.8835 9.8972 11.3677 11.5241 11.6384 11.7049 12.1481 12.2719 12.3795 12.4026 13.2563 13.3242 13.5471 13.5515 13.7413 13.7767 15.3465 15.3495 16.4246 16.4476 16.8543 16.9766 17.0370 17.0714 k = 0.5395-0.2203 0.4082 ( 4730 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7785 -28.7751 -25.6286 -25.6278 -25.6208 -25.6161 -17.6796 -17.6745 -15.5933 -15.5881 -15.5723 -15.5702 5.0469 5.0559 9.8778 9.8896 11.4162 11.5690 11.6722 11.7390 12.1062 12.2161 12.3801 12.3943 13.2734 13.3355 13.5607 13.5673 13.7496 13.7805 15.2778 15.2802 16.4343 16.4539 16.8722 16.9908 17.0320 17.0662 k = 0.5329-0.2317 0.4082 ( 4738 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7782 -28.7754 -25.6284 -25.6278 -25.6206 -25.6166 -17.6792 -17.6749 -15.5930 -15.5886 -15.5721 -15.5703 5.0440 5.0515 9.8732 9.8831 11.4625 11.6085 11.7044 11.7696 12.0633 12.1609 12.3818 12.3902 13.2906 13.3458 13.5712 13.5797 13.7590 13.7847 15.2179 15.2197 16.4415 16.4579 16.8904 17.0001 17.0320 17.0621 k = 0.5263-0.2431 0.4082 ( 4738 PWs) bands (ev): -56.1299 -56.1299 -40.1414 -40.1413 -28.7780 -28.7757 -25.6282 -25.6278 -25.6203 -25.6170 -17.6788 -17.6753 -15.5926 -15.5892 -15.5718 -15.5704 5.0416 5.0477 9.8697 9.8777 11.5066 11.6400 11.7372 11.7966 12.0217 12.1073 12.3838 12.3886 13.3075 13.3545 13.5789 13.5885 13.7687 13.7890 15.1675 15.1688 16.4468 16.4601 16.9082 17.0003 17.0404 17.0592 k = 0.5197-0.2545 0.4082 ( 4734 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7777 -28.7759 -25.6281 -25.6278 -25.6200 -25.6175 -17.6784 -17.6758 -15.5923 -15.5897 -15.5716 -15.5706 5.0400 5.0445 9.8673 9.8732 11.5480 11.6602 11.7726 11.8204 11.9833 12.0554 12.3855 12.3881 13.3234 13.3607 13.5845 13.5938 13.7780 13.7929 15.1273 15.1283 16.4508 16.4609 16.9252 16.9950 17.0522 17.0577 k = 0.5132-0.2659 0.4082 ( 4724 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7774 -28.7762 -25.6279 -25.6277 -25.6196 -25.6179 -17.6780 -17.6762 -15.5919 -15.5902 -15.5714 -15.5707 5.0390 5.0421 9.8658 9.8698 11.5859 11.6675 11.8109 11.8415 11.9500 12.0058 12.3870 12.3882 13.3377 13.3636 13.5886 13.5961 13.7860 13.7957 15.0982 15.0988 16.4538 16.4606 16.9409 16.9873 17.0577 17.0611 k = 0.5066-0.2773 0.4082 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7771 -28.7765 -25.6278 -25.6277 -25.6193 -25.6184 -17.6775 -17.6767 -15.5915 -15.5906 -15.5712 -15.5708 5.0387 5.0403 9.8653 9.8673 11.6189 11.6620 11.8490 11.8599 11.9250 11.9595 12.3879 12.3884 13.3495 13.3628 13.5919 13.5961 13.7919 13.7967 15.0805 15.0808 16.4562 16.4597 16.9550 16.9781 17.0590 17.0632 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -56.1299 -56.1299 -40.1413 -40.1413 -28.7768 -28.7768 -25.6278 -25.6278 -25.6188 -25.6188 -17.6771 -17.6771 -15.5911 -15.5911 -15.5710 -15.5710 5.0391 5.0391 9.8658 9.8658 11.6451 11.6451 11.8702 11.8702 11.9239 11.9239 12.3884 12.3884 13.3580 13.3580 13.5945 13.5945 13.7956 13.7956 15.0747 15.0747 16.4582 16.4582 16.9674 16.9674 17.0613 17.0613 Writing output data file NbSbRu.save init_run : 0.82s CPU 0.46s WALL ( 1 calls) electrons : 238.22s CPU 148.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 238.20s CPU 148.58s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.29s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.43s WALL ( 346 calls) cegterg : 206.36s CPU 129.57s WALL ( 348 calls) Called by sum_band: Called by *egterg: h_psi : 149.23s CPU 86.91s WALL ( 6099 calls) s_psi : 5.57s CPU 3.20s WALL ( 6099 calls) g_psi : 0.29s CPU 0.19s WALL ( 5405 calls) cdiaghg : 55.27s CPU 39.39s WALL ( 5751 calls) cegterg:over : 8.46s CPU 5.39s WALL ( 5405 calls) cegterg:upda : 7.01s CPU 4.49s WALL ( 5405 calls) cegterg:last : 3.67s CPU 2.37s WALL ( 1040 calls) cdiaghg:chol : 3.21s CPU 2.21s WALL ( 5751 calls) cdiaghg:inve : 1.52s CPU 1.18s WALL ( 5751 calls) cdiaghg:para : 3.16s CPU 2.17s WALL ( 11502 calls) Called by h_psi: h_psi:vloc : 133.38s CPU 77.36s WALL ( 6099 calls) h_psi:vnl : 15.56s CPU 9.36s WALL ( 6099 calls) add_vuspsi : 9.08s CPU 5.38s WALL ( 6099 calls) General routines calbec : 6.46s CPU 3.96s WALL ( 6099 calls) fft : 0.05s CPU 0.03s WALL ( 15 calls) fftw : 125.10s CPU 72.36s WALL ( 591476 calls) davcio : 0.42s CPU 0.77s WALL ( 692 calls) Parallel routines fft_scatter : 54.36s CPU 33.11s WALL ( 591491 calls) PWSCF : 4m14.27s CPU 2m57.37s WALL This run was terminated on: 4:28:55 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=