Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:25:49 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: ./ZrNiSn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 25 7 708 498 79 Max 32 26 8 713 511 84 Sum 1147 925 265 25605 18197 2891 bravais-lattice index = 14 lattice parameter (alat) = 8.1497 a.u. unit-cell volume = 382.7475 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.149716 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ni 10.00 58.69340 Ni( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961539), 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 0.2211539), 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 0.4038462), 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 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), 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 0.5045455), 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 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954546 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), 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 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), 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 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), 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 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789063 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: 25605 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18197 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 130, 36) NL pseudopotentials 0.08 Mb ( 65, 84) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 711) G-vector shells 0.00 Mb ( 224) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 130, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.09 Mb ( 84, 2, 36) The potential is recalculated from file : ./ZrNiSn.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 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 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 9.7 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 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.0 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 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.2 secs Computing kpt #: 32 total cpu time spent up to now is 15.6 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.7 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.4 secs Computing kpt #: 38 total cpu time spent up to now is 17.8 secs Computing kpt #: 39 total cpu time spent up to now is 18.1 secs Computing kpt #: 40 total cpu time spent up to now is 18.5 secs Computing kpt #: 41 total cpu time spent up to now is 18.8 secs Computing kpt #: 42 total cpu time spent up to now is 19.1 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.9 secs Computing kpt #: 45 total cpu time spent up to now is 20.3 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.2 secs Computing kpt #: 49 total cpu time spent up to now is 21.5 secs Computing kpt #: 50 total cpu time spent up to now is 21.8 secs Computing kpt #: 51 total cpu time spent up to now is 22.1 secs Computing kpt #: 52 total cpu time spent up to now is 22.4 secs Computing kpt #: 53 total cpu time spent up to now is 22.7 secs Computing kpt #: 54 total cpu time spent up to now is 23.0 secs Computing kpt #: 55 total cpu time spent up to now is 23.3 secs Computing kpt #: 56 total cpu time spent up to now is 23.6 secs Computing kpt #: 57 total cpu time spent up to now is 24.0 secs Computing kpt #: 58 total cpu time spent up to now is 24.3 secs Computing kpt #: 59 total cpu time spent up to now is 24.7 secs Computing kpt #: 60 total cpu time spent up to now is 25.0 secs Computing kpt #: 61 total cpu time spent up to now is 25.3 secs Computing kpt #: 62 total cpu time spent up to now is 25.7 secs Computing kpt #: 63 total cpu time spent up to now is 26.0 secs Computing kpt #: 64 total cpu time spent up to now is 26.3 secs Computing kpt #: 65 total cpu time spent up to now is 26.6 secs Computing kpt #: 66 total cpu time spent up to now is 26.9 secs Computing kpt #: 67 total cpu time spent up to now is 27.2 secs Computing kpt #: 68 total cpu time spent up to now is 27.6 secs Computing kpt #: 69 total cpu time spent up to now is 27.9 secs Computing kpt #: 70 total cpu time spent up to now is 28.2 secs Computing kpt #: 71 total cpu time spent up to now is 28.5 secs Computing kpt #: 72 total cpu time spent up to now is 28.9 secs Computing kpt #: 73 total cpu time spent up to now is 29.1 secs Computing kpt #: 74 total cpu time spent up to now is 29.4 secs Computing kpt #: 75 total cpu time spent up to now is 29.7 secs Computing kpt #: 76 total cpu time spent up to now is 30.0 secs Computing kpt #: 77 total cpu time spent up to now is 30.3 secs Computing kpt #: 78 total cpu time spent up to now is 30.6 secs Computing kpt #: 79 total cpu time spent up to now is 30.9 secs Computing kpt #: 80 total cpu time spent up to now is 31.2 secs Computing kpt #: 81 total cpu time spent up to now is 31.5 secs Computing kpt #: 82 total cpu time spent up to now is 31.7 secs Computing kpt #: 83 total cpu time spent up to now is 32.1 secs Computing kpt #: 84 total cpu time spent up to now is 32.4 secs Computing kpt #: 85 total cpu time spent up to now is 32.7 secs Computing kpt #: 86 total cpu time spent up to now is 33.1 secs Computing kpt #: 87 total cpu time spent up to now is 33.4 secs Computing kpt #: 88 total cpu time spent up to now is 33.7 secs Computing kpt #: 89 total cpu time spent up to now is 34.0 secs Computing kpt #: 90 total cpu time spent up to now is 34.3 secs Computing kpt #: 91 total cpu time spent up to now is 34.6 secs Computing kpt #: 92 total cpu time spent up to now is 34.9 secs Computing kpt #: 93 total cpu time spent up to now is 35.3 secs Computing kpt #: 94 total cpu time spent up to now is 35.7 secs Computing kpt #: 95 total cpu time spent up to now is 36.0 secs Computing kpt #: 96 total cpu time spent up to now is 36.3 secs Computing kpt #: 97 total cpu time spent up to now is 36.7 secs Computing kpt #: 98 total cpu time spent up to now is 37.0 secs Computing kpt #: 99 total cpu time spent up to now is 37.7 secs Computing kpt #: 100 total cpu time spent up to now is 38.1 secs Computing kpt #: 101 total cpu time spent up to now is 38.4 secs Computing kpt #: 102 total cpu time spent up to now is 38.8 secs Computing kpt #: 103 total cpu time spent up to now is 39.1 secs Computing kpt #: 104 total cpu time spent up to now is 39.5 secs Computing kpt #: 105 total cpu time spent up to now is 39.8 secs Computing kpt #: 106 total cpu time spent up to now is 40.2 secs Computing kpt #: 107 total cpu time spent up to now is 40.5 secs Computing kpt #: 108 total cpu time spent up to now is 40.9 secs Computing kpt #: 109 total cpu time spent up to now is 41.2 secs Computing kpt #: 110 total cpu time spent up to now is 41.5 secs Computing kpt #: 111 total cpu time spent up to now is 41.9 secs Computing kpt #: 112 total cpu time spent up to now is 42.2 secs Computing kpt #: 113 total cpu time spent up to now is 42.5 secs Computing kpt #: 114 total cpu time spent up to now is 42.9 secs Computing kpt #: 115 total cpu time spent up to now is 43.2 secs Computing kpt #: 116 total cpu time spent up to now is 43.5 secs Computing kpt #: 117 total cpu time spent up to now is 43.9 secs Computing kpt #: 118 total cpu time spent up to now is 44.2 secs Computing kpt #: 119 total cpu time spent up to now is 44.5 secs Computing kpt #: 120 total cpu time spent up to now is 44.9 secs Computing kpt #: 121 total cpu time spent up to now is 45.2 secs Computing kpt #: 122 total cpu time spent up to now is 45.5 secs Computing kpt #: 123 total cpu time spent up to now is 45.9 secs Computing kpt #: 124 total cpu time spent up to now is 46.2 secs Computing kpt #: 125 total cpu time spent up to now is 46.5 secs Computing kpt #: 126 total cpu time spent up to now is 46.9 secs Computing kpt #: 127 total cpu time spent up to now is 47.3 secs Computing kpt #: 128 total cpu time spent up to now is 47.6 secs Computing kpt #: 129 total cpu time spent up to now is 47.9 secs Computing kpt #: 130 total cpu time spent up to now is 48.3 secs Computing kpt #: 131 total cpu time spent up to now is 48.7 secs Computing kpt #: 132 total cpu time spent up to now is 49.0 secs Computing kpt #: 133 total cpu time spent up to now is 49.4 secs Computing kpt #: 134 total cpu time spent up to now is 49.7 secs Computing kpt #: 135 total cpu time spent up to now is 50.1 secs Computing kpt #: 136 total cpu time spent up to now is 50.4 secs Computing kpt #: 137 total cpu time spent up to now is 50.8 secs Computing kpt #: 138 total cpu time spent up to now is 51.1 secs Computing kpt #: 139 total cpu time spent up to now is 51.5 secs Computing kpt #: 140 total cpu time spent up to now is 51.9 secs Computing kpt #: 141 total cpu time spent up to now is 52.3 secs Computing kpt #: 142 total cpu time spent up to now is 52.7 secs Computing kpt #: 143 total cpu time spent up to now is 53.2 secs Computing kpt #: 144 total cpu time spent up to now is 53.6 secs Computing kpt #: 145 total cpu time spent up to now is 54.0 secs Computing kpt #: 146 total cpu time spent up to now is 54.4 secs Computing kpt #: 147 total cpu time spent up to now is 54.9 secs Computing kpt #: 148 total cpu time spent up to now is 55.4 secs Computing kpt #: 149 total cpu time spent up to now is 55.9 secs Computing kpt #: 150 total cpu time spent up to now is 56.4 secs Computing kpt #: 151 total cpu time spent up to now is 56.9 secs Computing kpt #: 152 total cpu time spent up to now is 57.4 secs Computing kpt #: 153 total cpu time spent up to now is 57.7 secs Computing kpt #: 154 total cpu time spent up to now is 58.1 secs Computing kpt #: 155 total cpu time spent up to now is 58.5 secs Computing kpt #: 156 total cpu time spent up to now is 58.9 secs Computing kpt #: 157 total cpu time spent up to now is 59.3 secs Computing kpt #: 158 total cpu time spent up to now is 59.7 secs Computing kpt #: 159 total cpu time spent up to now is 60.1 secs Computing kpt #: 160 total cpu time spent up to now is 60.5 secs Computing kpt #: 161 total cpu time spent up to now is 60.9 secs Computing kpt #: 162 total cpu time spent up to now is 61.4 secs Computing kpt #: 163 total cpu time spent up to now is 61.9 secs Computing kpt #: 164 total cpu time spent up to now is 62.3 secs Computing kpt #: 165 total cpu time spent up to now is 62.8 secs Computing kpt #: 166 total cpu time spent up to now is 63.2 secs Computing kpt #: 167 total cpu time spent up to now is 63.7 secs Computing kpt #: 168 total cpu time spent up to now is 64.2 secs Computing kpt #: 169 total cpu time spent up to now is 64.6 secs Computing kpt #: 170 total cpu time spent up to now is 65.0 secs Computing kpt #: 171 total cpu time spent up to now is 65.4 secs Computing kpt #: 172 total cpu time spent up to now is 65.8 secs Computing kpt #: 173 total cpu time spent up to now is 66.2 secs Computing kpt #: 174 total cpu time spent up to now is 66.6 secs Computing kpt #: 175 total cpu time spent up to now is 67.0 secs Computing kpt #: 176 total cpu time spent up to now is 67.3 secs Computing kpt #: 177 total cpu time spent up to now is 67.7 secs Computing kpt #: 178 total cpu time spent up to now is 68.1 secs Computing kpt #: 179 total cpu time spent up to now is 68.4 secs Computing kpt #: 180 total cpu time spent up to now is 68.8 secs Computing kpt #: 181 total cpu time spent up to now is 69.1 secs Computing kpt #: 182 total cpu time spent up to now is 69.5 secs Computing kpt #: 183 total cpu time spent up to now is 69.9 secs Computing kpt #: 184 total cpu time spent up to now is 70.2 secs Computing kpt #: 185 total cpu time spent up to now is 70.6 secs Computing kpt #: 186 total cpu time spent up to now is 71.0 secs Computing kpt #: 187 total cpu time spent up to now is 71.3 secs Computing kpt #: 188 total cpu time spent up to now is 71.7 secs Computing kpt #: 189 total cpu time spent up to now is 72.1 secs Computing kpt #: 190 total cpu time spent up to now is 72.8 secs Computing kpt #: 191 total cpu time spent up to now is 73.1 secs Computing kpt #: 192 total cpu time spent up to now is 73.5 secs Computing kpt #: 193 total cpu time spent up to now is 73.9 secs Computing kpt #: 194 total cpu time spent up to now is 74.2 secs Computing kpt #: 195 total cpu time spent up to now is 74.6 secs Computing kpt #: 196 total cpu time spent up to now is 74.9 secs Computing kpt #: 197 total cpu time spent up to now is 75.3 secs Computing kpt #: 198 total cpu time spent up to now is 75.6 secs Computing kpt #: 199 total cpu time spent up to now is 76.0 secs Computing kpt #: 200 total cpu time spent up to now is 76.3 secs Computing kpt #: 201 total cpu time spent up to now is 76.7 secs Computing kpt #: 202 total cpu time spent up to now is 77.0 secs Computing kpt #: 203 total cpu time spent up to now is 77.3 secs Computing kpt #: 204 total cpu time spent up to now is 77.7 secs Computing kpt #: 205 total cpu time spent up to now is 78.1 secs Computing kpt #: 206 total cpu time spent up to now is 78.5 secs Computing kpt #: 207 total cpu time spent up to now is 78.9 secs Computing kpt #: 208 total cpu time spent up to now is 79.3 secs Computing kpt #: 209 total cpu time spent up to now is 79.7 secs Computing kpt #: 210 total cpu time spent up to now is 80.0 secs Computing kpt #: 211 total cpu time spent up to now is 80.4 secs Computing kpt #: 212 total cpu time spent up to now is 80.7 secs Computing kpt #: 213 total cpu time spent up to now is 81.1 secs Computing kpt #: 214 total cpu time spent up to now is 81.5 secs Computing kpt #: 215 total cpu time spent up to now is 81.9 secs Computing kpt #: 216 total cpu time spent up to now is 82.3 secs Computing kpt #: 217 total cpu time spent up to now is 82.7 secs Computing kpt #: 218 total cpu time spent up to now is 83.1 secs Computing kpt #: 219 total cpu time spent up to now is 83.4 secs Computing kpt #: 220 total cpu time spent up to now is 83.8 secs Computing kpt #: 221 total cpu time spent up to now is 84.1 secs Computing kpt #: 222 total cpu time spent up to now is 84.5 secs Computing kpt #: 223 total cpu time spent up to now is 84.9 secs Computing kpt #: 224 total cpu time spent up to now is 85.3 secs Computing kpt #: 225 total cpu time spent up to now is 85.7 secs Computing kpt #: 226 total cpu time spent up to now is 86.1 secs Computing kpt #: 227 total cpu time spent up to now is 86.5 secs Computing kpt #: 228 total cpu time spent up to now is 86.9 secs Computing kpt #: 229 total cpu time spent up to now is 87.3 secs Computing kpt #: 230 total cpu time spent up to now is 87.7 secs Computing kpt #: 231 total cpu time spent up to now is 88.1 secs Computing kpt #: 232 total cpu time spent up to now is 88.5 secs Computing kpt #: 233 total cpu time spent up to now is 88.9 secs Computing kpt #: 234 total cpu time spent up to now is 89.3 secs Computing kpt #: 235 total cpu time spent up to now is 89.6 secs Computing kpt #: 236 total cpu time spent up to now is 89.9 secs Computing kpt #: 237 total cpu time spent up to now is 90.3 secs Computing kpt #: 238 total cpu time spent up to now is 90.7 secs Computing kpt #: 239 total cpu time spent up to now is 91.0 secs Computing kpt #: 240 total cpu time spent up to now is 91.4 secs Computing kpt #: 241 total cpu time spent up to now is 91.7 secs Computing kpt #: 242 total cpu time spent up to now is 92.0 secs Computing kpt #: 243 total cpu time spent up to now is 92.4 secs Computing kpt #: 244 total cpu time spent up to now is 92.7 secs Computing kpt #: 245 total cpu time spent up to now is 93.1 secs Computing kpt #: 246 total cpu time spent up to now is 93.4 secs Computing kpt #: 247 total cpu time spent up to now is 93.7 secs Computing kpt #: 248 total cpu time spent up to now is 94.0 secs Computing kpt #: 249 total cpu time spent up to now is 94.3 secs Computing kpt #: 250 total cpu time spent up to now is 94.7 secs Computing kpt #: 251 total cpu time spent up to now is 95.0 secs Computing kpt #: 252 total cpu time spent up to now is 95.3 secs Computing kpt #: 253 total cpu time spent up to now is 95.6 secs Computing kpt #: 254 total cpu time spent up to now is 95.9 secs Computing kpt #: 255 total cpu time spent up to now is 96.2 secs Computing kpt #: 256 total cpu time spent up to now is 96.4 secs Computing kpt #: 257 total cpu time spent up to now is 96.7 secs Computing kpt #: 258 total cpu time spent up to now is 97.0 secs Computing kpt #: 259 total cpu time spent up to now is 97.3 secs Computing kpt #: 260 total cpu time spent up to now is 97.6 secs Computing kpt #: 261 total cpu time spent up to now is 97.9 secs Computing kpt #: 262 total cpu time spent up to now is 98.3 secs Computing kpt #: 263 total cpu time spent up to now is 98.6 secs Computing kpt #: 264 total cpu time spent up to now is 98.9 secs Computing kpt #: 265 total cpu time spent up to now is 99.3 secs Computing kpt #: 266 total cpu time spent up to now is 99.7 secs Computing kpt #: 267 total cpu time spent up to now is 100.0 secs Computing kpt #: 268 total cpu time spent up to now is 100.3 secs Computing kpt #: 269 total cpu time spent up to now is 100.7 secs Computing kpt #: 270 total cpu time spent up to now is 101.0 secs Computing kpt #: 271 total cpu time spent up to now is 101.4 secs Computing kpt #: 272 total cpu time spent up to now is 101.7 secs Computing kpt #: 273 total cpu time spent up to now is 102.1 secs Computing kpt #: 274 total cpu time spent up to now is 102.4 secs Computing kpt #: 275 total cpu time spent up to now is 102.8 secs Computing kpt #: 276 total cpu time spent up to now is 103.1 secs Computing kpt #: 277 total cpu time spent up to now is 103.5 secs Computing kpt #: 278 total cpu time spent up to now is 103.9 secs Computing kpt #: 279 total cpu time spent up to now is 104.3 secs Computing kpt #: 280 total cpu time spent up to now is 104.6 secs Computing kpt #: 281 total cpu time spent up to now is 104.9 secs Computing kpt #: 282 total cpu time spent up to now is 105.3 secs Computing kpt #: 283 total cpu time spent up to now is 105.7 secs Computing kpt #: 284 total cpu time spent up to now is 106.1 secs Computing kpt #: 285 total cpu time spent up to now is 106.5 secs Computing kpt #: 286 total cpu time spent up to now is 106.9 secs Computing kpt #: 287 total cpu time spent up to now is 107.4 secs Computing kpt #: 288 total cpu time spent up to now is 107.8 secs Computing kpt #: 289 total cpu time spent up to now is 108.1 secs Computing kpt #: 290 total cpu time spent up to now is 108.5 secs Computing kpt #: 291 total cpu time spent up to now is 108.8 secs Computing kpt #: 292 total cpu time spent up to now is 109.2 secs Computing kpt #: 293 total cpu time spent up to now is 109.5 secs Computing kpt #: 294 total cpu time spent up to now is 109.9 secs Computing kpt #: 295 total cpu time spent up to now is 110.2 secs Computing kpt #: 296 total cpu time spent up to now is 110.5 secs Computing kpt #: 297 total cpu time spent up to now is 110.9 secs Computing kpt #: 298 total cpu time spent up to now is 111.3 secs Computing kpt #: 299 total cpu time spent up to now is 111.6 secs Computing kpt #: 300 total cpu time spent up to now is 112.0 secs Computing kpt #: 301 total cpu time spent up to now is 112.4 secs Computing kpt #: 302 total cpu time spent up to now is 112.7 secs Computing kpt #: 303 total cpu time spent up to now is 113.1 secs Computing kpt #: 304 total cpu time spent up to now is 113.5 secs Computing kpt #: 305 total cpu time spent up to now is 113.9 secs Computing kpt #: 306 total cpu time spent up to now is 114.3 secs Computing kpt #: 307 total cpu time spent up to now is 114.7 secs Computing kpt #: 308 total cpu time spent up to now is 115.1 secs Computing kpt #: 309 total cpu time spent up to now is 115.4 secs Computing kpt #: 310 total cpu time spent up to now is 115.8 secs Computing kpt #: 311 total cpu time spent up to now is 116.1 secs Computing kpt #: 312 total cpu time spent up to now is 116.5 secs Computing kpt #: 313 total cpu time spent up to now is 116.9 secs Computing kpt #: 314 total cpu time spent up to now is 117.3 secs Computing kpt #: 315 total cpu time spent up to now is 117.7 secs Computing kpt #: 316 total cpu time spent up to now is 118.1 secs Computing kpt #: 317 total cpu time spent up to now is 118.4 secs Computing kpt #: 318 total cpu time spent up to now is 118.8 secs Computing kpt #: 319 total cpu time spent up to now is 119.2 secs Computing kpt #: 320 total cpu time spent up to now is 119.6 secs Computing kpt #: 321 total cpu time spent up to now is 120.0 secs Computing kpt #: 322 total cpu time spent up to now is 120.3 secs Computing kpt #: 323 total cpu time spent up to now is 120.7 secs Computing kpt #: 324 total cpu time spent up to now is 121.1 secs Computing kpt #: 325 total cpu time spent up to now is 121.5 secs Computing kpt #: 326 total cpu time spent up to now is 121.8 secs Computing kpt #: 327 total cpu time spent up to now is 122.1 secs Computing kpt #: 328 total cpu time spent up to now is 122.5 secs Computing kpt #: 329 total cpu time spent up to now is 122.8 secs Computing kpt #: 330 total cpu time spent up to now is 123.1 secs Computing kpt #: 331 total cpu time spent up to now is 123.5 secs Computing kpt #: 332 total cpu time spent up to now is 123.8 secs Computing kpt #: 333 total cpu time spent up to now is 124.1 secs Computing kpt #: 334 total cpu time spent up to now is 124.5 secs Computing kpt #: 335 total cpu time spent up to now is 124.7 secs Computing kpt #: 336 total cpu time spent up to now is 125.1 secs Computing kpt #: 337 total cpu time spent up to now is 125.4 secs Computing kpt #: 338 total cpu time spent up to now is 125.7 secs Computing kpt #: 339 total cpu time spent up to now is 126.1 secs Computing kpt #: 340 total cpu time spent up to now is 126.4 secs Computing kpt #: 341 total cpu time spent up to now is 126.7 secs Computing kpt #: 342 total cpu time spent up to now is 127.1 secs Computing kpt #: 343 total cpu time spent up to now is 127.4 secs Computing kpt #: 344 total cpu time spent up to now is 127.7 secs Computing kpt #: 345 total cpu time spent up to now is 128.0 secs Computing kpt #: 346 total cpu time spent up to now is 128.3 secs ethr = 3.57E-08, avg # of iterations = 17.4 total cpu time spent up to now is 128.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.6612 -10.6612 -10.6612 -10.6612 -9.6532 -9.6532 -9.6264 -9.6264 -9.6264 -9.6264 1.5286 1.5286 8.4546 8.4546 8.6297 8.6297 8.6297 8.6297 8.9379 8.9379 8.9379 8.9379 9.6701 9.6701 9.6916 9.6916 9.6916 9.6916 13.1455 13.1455 13.1455 13.1455 13.9674 13.9674 17.7013 17.7013 k = 0.0096-0.0056 0.0079 ( 2261 PWs) bands (ev): -10.6615 -10.6615 -10.6610 -10.6610 -9.6532 -9.6532 -9.6266 -9.6266 -9.6260 -9.6260 1.5302 1.5302 8.4523 8.4523 8.6218 8.6218 8.6331 8.6331 8.9336 8.9336 8.9485 8.9485 9.6693 9.6693 9.6894 9.6894 9.6929 9.6929 13.1422 13.1422 13.1454 13.1454 13.9735 13.9735 17.7018 17.7018 k = 0.0192-0.0111 0.0157 ( 2261 PWs) bands (ev): -10.6617 -10.6617 -10.6607 -10.6607 -9.6532 -9.6532 -9.6269 -9.6269 -9.6258 -9.6258 1.5348 1.5348 8.4446 8.4446 8.6078 8.6078 8.6361 8.6361 8.9329 8.9329 8.9665 8.9665 9.6666 9.6666 9.6862 9.6862 9.6933 9.6933 13.1329 13.1329 13.1446 13.1446 13.9917 13.9917 17.7028 17.7028 k = 0.0288-0.0167 0.0236 ( 2261 PWs) bands (ev): -10.6620 -10.6620 -10.6605 -10.6605 -9.6533 -9.6533 -9.6272 -9.6272 -9.6255 -9.6255 1.5425 1.5425 8.4289 8.4289 8.5917 8.5917 8.6403 8.6403 8.9341 8.9341 8.9906 8.9906 9.6618 9.6618 9.6822 9.6822 9.6929 9.6929 13.1173 13.1173 13.1434 13.1434 14.0220 14.0220 17.7042 17.7042 k = 0.0385-0.0222 0.0314 ( 2253 PWs) bands (ev): -10.6622 -10.6622 -10.6603 -10.6603 -9.6533 -9.6533 -9.6274 -9.6274 -9.6252 -9.6252 1.5534 1.5534 8.4025 8.4025 8.5792 8.5792 8.6460 8.6460 8.9366 8.9366 9.0184 9.0184 9.6546 9.6546 9.6779 9.6779 9.6918 9.6918 13.0956 13.0956 13.1417 13.1417 14.0640 14.0640 17.7050 17.7050 k = 0.0481-0.0278 0.0393 ( 2253 PWs) bands (ev): -10.6625 -10.6625 -10.6601 -10.6601 -9.6534 -9.6534 -9.6277 -9.6277 -9.6249 -9.6249 1.5672 1.5672 8.3649 8.3649 8.5731 8.5731 8.6532 8.6532 8.9400 8.9400 9.0480 9.0480 9.6449 9.6449 9.6733 9.6733 9.6902 9.6902 13.0677 13.0677 13.1395 13.1395 14.1175 14.1175 17.7045 17.7045 k = 0.0577-0.0333 0.0471 ( 2257 PWs) bands (ev): -10.6628 -10.6628 -10.6599 -10.6599 -9.6535 -9.6535 -9.6279 -9.6279 -9.6246 -9.6246 1.5842 1.5842 8.3178 8.3178 8.5732 8.5732 8.6619 8.6619 8.9443 8.9443 9.0781 9.0781 9.6330 9.6330 9.6685 9.6685 9.6881 9.6881 13.0340 13.0340 13.1368 13.1368 14.1819 14.1819 17.7013 17.7013 k = 0.0673-0.0389 0.0550 ( 2269 PWs) bands (ev): -10.6631 -10.6631 -10.6598 -10.6598 -9.6536 -9.6536 -9.6282 -9.6282 -9.6244 -9.6244 1.6041 1.6041 8.2637 8.2637 8.5779 8.5779 8.6722 8.6722 8.9494 8.9494 9.1080 9.1080 9.6191 9.6191 9.6633 9.6633 9.6856 9.6856 12.9945 12.9945 13.1336 13.1336 14.2567 14.2567 17.6941 17.6941 k = 0.0769-0.0444 0.0628 ( 2269 PWs) bands (ev): -10.6633 -10.6633 -10.6596 -10.6596 -9.6538 -9.6538 -9.6284 -9.6284 -9.6241 -9.6241 1.6271 1.6271 8.2047 8.2047 8.5863 8.5863 8.6841 8.6841 8.9553 8.9553 9.1372 9.1372 9.6035 9.6035 9.6579 9.6579 9.6827 9.6827 12.9494 12.9494 13.1300 13.1300 14.3414 14.3414 17.6814 17.6814 k = 0.0865-0.0500 0.0707 ( 2277 PWs) bands (ev): -10.6636 -10.6636 -10.6595 -10.6595 -9.6539 -9.6539 -9.6286 -9.6286 -9.6238 -9.6238 1.6530 1.6530 8.1420 8.1420 8.5975 8.5975 8.6974 8.6974 8.9619 8.9619 9.1654 9.1654 9.5865 9.5865 9.6521 9.6521 9.6795 9.6795 12.8991 12.8991 13.1259 13.1259 14.4353 14.4353 17.6609 17.6609 k = 0.0962-0.0555 0.0785 ( 2273 PWs) bands (ev): -10.6639 -10.6639 -10.6593 -10.6593 -9.6541 -9.6541 -9.6288 -9.6288 -9.6236 -9.6236 1.6818 1.6818 8.0766 8.0766 8.6110 8.6110 8.7123 8.7123 8.9693 8.9693 9.1925 9.1925 9.5684 9.5684 9.6460 9.6460 9.6761 9.6761 12.8438 12.8438 13.1213 13.1213 14.5377 14.5377 17.6298 17.6298 k = 0.1058-0.0611 0.0864 ( 2277 PWs) bands (ev): -10.6642 -10.6642 -10.6592 -10.6592 -9.6543 -9.6543 -9.6290 -9.6290 -9.6233 -9.6233 1.7136 1.7136 8.0093 8.0093 8.6265 8.6265 8.7286 8.7286 8.9773 8.9773 9.2182 9.2182 9.5493 9.5493 9.6397 9.6397 9.6725 9.6725 12.7838 12.7838 13.1163 13.1163 14.6481 14.6481 17.5840 17.5840 k = 0.1154-0.0666 0.0942 ( 2277 PWs) bands (ev): -10.6645 -10.6645 -10.6591 -10.6591 -9.6545 -9.6545 -9.6291 -9.6291 -9.6231 -9.6231 1.7481 1.7481 7.9406 7.9406 8.6440 8.6440 8.7463 8.7463 8.9861 8.9861 9.2424 9.2424 9.5297 9.5297 9.6332 9.6332 9.6689 9.6689 12.7194 12.7194 13.1108 13.1108 14.7656 14.7656 17.5190 17.5190 k = 0.1250-0.0722 0.1021 ( 2277 PWs) bands (ev): -10.6647 -10.6647 -10.6590 -10.6590 -9.6547 -9.6547 -9.6293 -9.6293 -9.6229 -9.6229 1.7855 1.7855 7.8710 7.8710 8.6631 8.6631 8.7654 8.7654 8.9955 8.9955 9.2650 9.2650 9.5097 9.5097 9.6267 9.6267 9.6653 9.6653 12.6510 12.6510 13.1049 13.1049 14.8895 14.8895 17.4321 17.4321 k = 0.1346-0.0777 0.1099 ( 2265 PWs) bands (ev): -10.6650 -10.6650 -10.6589 -10.6589 -9.6548 -9.6548 -9.6294 -9.6294 -9.6227 -9.6227 1.8256 1.8256 7.8009 7.8009 8.6838 8.6838 8.7859 8.7859 9.0055 9.0055 9.2859 9.2859 9.4898 9.4898 9.6202 9.6202 9.6619 9.6619 12.5787 12.5787 13.0986 13.0986 15.0194 15.0194 17.3247 17.3247 k = 0.1442-0.0833 0.1178 ( 2265 PWs) bands (ev): -10.6652 -10.6652 -10.6588 -10.6588 -9.6551 -9.6551 -9.6295 -9.6295 -9.6225 -9.6225 1.8684 1.8684 7.7307 7.7307 8.7059 8.7059 8.8076 8.8076 9.0160 9.0160 9.3044 9.3044 9.4703 9.4703 9.6138 9.6138 9.6587 9.6587 12.5030 12.5030 13.0919 13.0919 15.1543 15.1543 17.2010 17.2010 k = 0.1538-0.0888 0.1256 ( 2265 PWs) bands (ev): -10.6655 -10.6655 -10.6588 -10.6588 -9.6553 -9.6553 -9.6296 -9.6296 -9.6223 -9.6223 1.9138 1.9138 7.6607 7.6607 8.7293 8.7293 8.8304 8.8304 9.0270 9.0270 9.3199 9.3199 9.4524 9.4524 9.6077 9.6077 9.6559 9.6559 12.4242 12.4242 13.0847 13.0847 15.2937 15.2937 17.0658 17.0658 k = 0.1635-0.0944 0.1335 ( 2273 PWs) bands (ev): -10.6658 -10.6658 -10.6588 -10.6588 -9.6556 -9.6556 -9.6297 -9.6297 -9.6221 -9.6221 1.9617 1.9617 7.5912 7.5912 8.7540 8.7540 8.8543 8.8543 9.0386 9.0386 9.3308 9.3308 9.4377 9.4377 9.6020 9.6020 9.6535 9.6535 12.3424 12.3424 13.0772 13.0772 15.4368 15.4368 16.9229 16.9229 k = 0.1731-0.0999 0.1413 ( 2269 PWs) bands (ev): -10.6660 -10.6660 -10.6587 -10.6587 -9.6558 -9.6558 -9.6298 -9.6298 -9.6220 -9.6220 2.0120 2.0120 7.5226 7.5226 8.7796 8.7796 8.8791 8.8791 9.0505 9.0505 9.3346 9.3346 9.4287 9.4287 9.5969 9.5969 9.6519 9.6519 12.2579 12.2579 13.0693 13.0693 15.5829 15.5829 16.7751 16.7751 k = 0.1827-0.1055 0.1492 ( 2269 PWs) bands (ev): -10.6663 -10.6663 -10.6588 -10.6588 -9.6561 -9.6561 -9.6299 -9.6299 -9.6218 -9.6218 2.0647 2.0647 7.4552 7.4552 8.8062 8.8062 8.9045 8.9045 9.0628 9.0628 9.3297 9.3297 9.4274 9.4274 9.5927 9.5927 9.6512 9.6512 12.1711 12.1711 13.0611 13.0611 15.7312 15.7312 16.6242 16.6242 k = 0.1923-0.1110 0.1570 ( 2269 PWs) bands (ev): -10.6665 -10.6665 -10.6588 -10.6588 -9.6563 -9.6563 -9.6299 -9.6299 -9.6217 -9.6217 2.1195 2.1195 7.3891 7.3891 8.8334 8.8334 8.9303 8.9303 9.0754 9.0754 9.3178 9.3178 9.4321 9.4321 9.5895 9.5895 9.6514 9.6514 12.0820 12.0820 13.0525 13.0525 15.8803 15.8803 16.4717 16.4717 k = 0.2019-0.1166 0.1649 ( 2269 PWs) bands (ev): -10.6667 -10.6667 -10.6588 -10.6588 -9.6566 -9.6566 -9.6300 -9.6300 -9.6216 -9.6216 2.1765 2.1765 7.3247 7.3247 8.8611 8.8611 8.9561 8.9561 9.0881 9.0881 9.3021 9.3021 9.4401 9.4401 9.5875 9.5875 9.6529 9.6529 11.9910 11.9910 13.0437 13.0437 16.0275 16.0275 16.3192 16.3192 k = 0.2115-0.1221 0.1727 ( 2277 PWs) bands (ev): -10.6670 -10.6670 -10.6589 -10.6589 -9.6569 -9.6569 -9.6300 -9.6300 -9.6216 -9.6216 2.2355 2.2355 7.2621 7.2621 8.8888 8.8888 8.9813 8.9813 9.1010 9.1010 9.2852 9.2852 9.4491 9.4491 9.5870 9.5870 9.6558 9.6558 11.8982 11.8982 13.0345 13.0345 16.1398 16.1398 16.1900 16.1900 k = 0.2212-0.1277 0.1806 ( 2277 PWs) bands (ev): -10.6672 -10.6672 -10.6590 -10.6590 -9.6572 -9.6572 -9.6301 -9.6301 -9.6215 -9.6215 2.2963 2.2963 7.2017 7.2017 8.9164 8.9164 9.0051 9.0051 9.1138 9.1138 9.2689 9.2689 9.4586 9.4586 9.5881 9.5881 9.6604 9.6604 11.8038 11.8038 13.0251 13.0251 16.0072 16.0072 16.1520 16.1520 k = 0.2308-0.1332 0.1884 ( 2277 PWs) bands (ev): -10.6674 -10.6674 -10.6591 -10.6591 -9.6575 -9.6575 -9.6301 -9.6301 -9.6214 -9.6214 2.3589 2.3589 7.1435 7.1435 8.9435 8.9435 9.0262 9.0262 9.1264 9.1264 9.2550 9.2550 9.4682 9.4682 9.5908 9.5908 9.6669 9.6669 11.7080 11.7080 13.0154 13.0154 15.8558 15.8558 16.0039 16.0039 k = 0.2404-0.1388 0.1963 ( 2277 PWs) bands (ev): -10.6676 -10.6676 -10.6592 -10.6592 -9.6578 -9.6578 -9.6301 -9.6301 -9.6214 -9.6214 2.4229 2.4229 7.0880 7.0880 8.9694 8.9694 9.0429 9.0429 9.1387 9.1387 9.2452 9.2452 9.4783 9.4783 9.5950 9.5950 9.6756 9.6756 11.6110 11.6110 13.0056 13.0056 15.7049 15.7049 15.8499 15.8499 k = 0.2500-0.1443 0.2041 ( 2269 PWs) bands (ev): -10.6677 -10.6677 -10.6593 -10.6593 -9.6580 -9.6580 -9.6301 -9.6301 -9.6214 -9.6214 2.4883 2.4883 7.0351 7.0351 8.9938 8.9938 9.0533 9.0533 9.1502 9.1502 9.2415 9.2415 9.4893 9.4893 9.6004 9.6004 9.6870 9.6870 11.5131 11.5131 12.9956 12.9956 15.5554 15.5554 15.6961 15.6961 k = 0.2596-0.1499 0.2120 ( 2285 PWs) bands (ev): -10.6679 -10.6679 -10.6595 -10.6595 -9.6583 -9.6583 -9.6301 -9.6301 -9.6214 -9.6214 2.5548 2.5548 6.9852 6.9852 9.0154 9.0154 9.0567 9.0567 9.1611 9.1611 9.2449 9.2449 9.5019 9.5019 9.6067 9.6067 9.7014 9.7014 11.4144 11.4144 12.9854 12.9854 15.4077 15.4077 15.5432 15.5432 k = 0.2692-0.1554 0.2198 ( 2285 PWs) bands (ev): -10.6681 -10.6681 -10.6596 -10.6596 -9.6586 -9.6586 -9.6301 -9.6301 -9.6214 -9.6214 2.6223 2.6223 6.9384 6.9384 9.0301 9.0301 9.0574 9.0574 9.1712 9.1712 9.2544 9.2544 9.5167 9.5167 9.6136 9.6136 9.7192 9.7192 11.3154 11.3154 12.9751 12.9751 15.2621 15.2621 15.3920 15.3920 k = 0.2788-0.1610 0.2277 ( 2285 PWs) bands (ev): -10.6682 -10.6682 -10.6598 -10.6598 -9.6589 -9.6589 -9.6302 -9.6302 -9.6214 -9.6214 2.6905 2.6905 6.8949 6.8949 9.0281 9.0281 9.0667 9.0667 9.1806 9.1806 9.2677 9.2677 9.5339 9.5339 9.6210 9.6210 9.7408 9.7408 11.2163 11.2163 12.9647 12.9647 15.1188 15.1188 15.2425 15.2425 k = 0.2885-0.1665 0.2355 ( 2285 PWs) bands (ev): -10.6683 -10.6683 -10.6600 -10.6600 -9.6592 -9.6592 -9.6302 -9.6302 -9.6214 -9.6214 2.7591 2.7591 6.8548 6.8548 9.0148 9.0148 9.0810 9.0810 9.1889 9.1889 9.2827 9.2827 9.5524 9.5524 9.6301 9.6301 9.7663 9.7663 11.1175 11.1175 12.9544 12.9544 14.9778 14.9778 15.0951 15.0951 k = 0.2981-0.1721 0.2434 ( 2277 PWs) bands (ev): -10.6684 -10.6684 -10.6602 -10.6602 -9.6594 -9.6594 -9.6301 -9.6301 -9.6214 -9.6214 2.8279 2.8279 6.8185 6.8185 8.9976 8.9976 9.0946 9.0946 9.1960 9.1960 9.2980 9.2980 9.5693 9.5693 9.6432 9.6432 9.7958 9.7958 11.0197 11.0197 12.9440 12.9440 14.8394 14.8394 14.9500 14.9500 k = 0.3077-0.1776 0.2512 ( 2285 PWs) bands (ev): -10.6685 -10.6685 -10.6604 -10.6604 -9.6597 -9.6597 -9.6302 -9.6302 -9.6215 -9.6215 2.8965 2.8965 6.7859 6.7859 8.9784 8.9784 9.1064 9.1064 9.2016 9.2016 9.3128 9.3128 9.5802 9.5802 9.6642 9.6642 9.8290 9.8290 10.9234 10.9234 12.9336 12.9336 14.7035 14.7035 14.8074 14.8074 k = 0.3173-0.1832 0.2591 ( 2289 PWs) bands (ev): -10.6686 -10.6686 -10.6606 -10.6606 -9.6599 -9.6599 -9.6302 -9.6302 -9.6215 -9.6215 2.9648 2.9648 6.7574 6.7574 8.9583 8.9583 9.1162 9.1162 9.2057 9.2057 9.3271 9.3271 9.5830 9.5830 9.6942 9.6942 9.8658 9.8658 10.8295 10.8295 12.9233 12.9233 14.5702 14.5702 14.6675 14.6675 k = 0.3269-0.1887 0.2669 ( 2289 PWs) bands (ev): -10.6687 -10.6687 -10.6609 -10.6609 -9.6602 -9.6602 -9.6302 -9.6302 -9.6216 -9.6216 3.0323 3.0323 6.7329 6.7329 8.9377 8.9377 9.1242 9.1242 9.2085 9.2085 9.3407 9.3407 9.5785 9.5785 9.7313 9.7313 9.9058 9.9058 10.7389 10.7389 12.9132 12.9132 14.4397 14.4397 14.5305 14.5305 k = 0.3365-0.1943 0.2748 ( 2285 PWs) bands (ev): -10.6687 -10.6687 -10.6611 -10.6611 -9.6604 -9.6604 -9.6302 -9.6302 -9.6216 -9.6216 3.0987 3.0987 6.7127 6.7127 8.9169 8.9169 9.1305 9.1305 9.2100 9.2100 9.3535 9.3535 9.5676 9.5676 9.7731 9.7731 9.9485 9.9485 10.6527 10.6527 12.9033 12.9033 14.3121 14.3121 14.3967 14.3967 k = 0.3462-0.1999 0.2826 ( 2293 PWs) bands (ev): -10.6688 -10.6688 -10.6614 -10.6614 -9.6606 -9.6606 -9.6302 -9.6302 -9.6217 -9.6217 3.1637 3.1637 6.6968 6.6968 8.8961 8.8961 9.1353 9.1353 9.2103 9.2103 9.3655 9.3655 9.5506 9.5506 9.8182 9.8182 9.9937 9.9937 10.5720 10.5720 12.8935 12.8935 14.1875 14.1875 14.2664 14.2664 k = 0.3558-0.2054 0.2905 ( 2285 PWs) bands (ev): -10.6688 -10.6688 -10.6616 -10.6616 -9.6608 -9.6608 -9.6302 -9.6302 -9.6217 -9.6217 3.2269 3.2269 6.6852 6.6852 8.8755 8.8755 9.1389 9.1389 9.2097 9.2097 9.3763 9.3763 9.5277 9.5277 9.8655 9.8655 10.0408 10.0408 10.4984 10.4984 12.8840 12.8840 14.0663 14.0663 14.1398 14.1398 k = 0.3654-0.2110 0.2983 ( 2285 PWs) bands (ev): -10.6688 -10.6688 -10.6619 -10.6619 -9.6610 -9.6610 -9.6303 -9.6303 -9.6217 -9.6217 3.2879 3.2879 6.6781 6.6781 8.8550 8.8550 9.1415 9.1415 9.2082 9.2082 9.3848 9.3848 9.4996 9.4996 9.9142 9.9142 10.0893 10.0893 10.4328 10.4328 12.8749 12.8749 13.9486 13.9486 14.0173 14.0173 k = 0.3750-0.2165 0.3062 ( 2289 PWs) bands (ev): -10.6688 -10.6688 -10.6622 -10.6622 -9.6612 -9.6612 -9.6303 -9.6303 -9.6218 -9.6218 3.3464 3.3464 6.6752 6.6752 8.8348 8.8348 9.1432 9.1432 9.2060 9.2060 9.3876 9.3876 9.4698 9.4698 9.9635 9.9635 10.1385 10.1385 10.3765 10.3765 12.8661 12.8661 13.8348 13.8348 13.8992 13.8992 k = 0.3846-0.2221 0.3140 ( 2289 PWs) bands (ev): -10.6687 -10.6687 -10.6624 -10.6624 -9.6613 -9.6613 -9.6303 -9.6303 -9.6218 -9.6218 3.4020 3.4020 6.6766 6.6766 8.8147 8.8147 9.1443 9.1443 9.2029 9.2029 9.3743 9.3743 9.4494 9.4494 10.0123 10.0123 10.1873 10.1873 10.3308 10.3308 12.8577 12.8577 13.7254 13.7254 13.7859 13.7859 k = 0.3942-0.2276 0.3219 ( 2289 PWs) bands (ev): -10.6687 -10.6687 -10.6627 -10.6627 -9.6615 -9.6615 -9.6304 -9.6304 -9.6219 -9.6219 3.4544 3.4544 6.6820 6.6820 8.7947 8.7947 9.1448 9.1448 9.1988 9.1988 9.3390 9.3390 9.4458 9.4458 10.0595 10.0595 10.2314 10.2314 10.2998 10.2998 12.8497 12.8497 13.6208 13.6208 13.6778 13.6778 k = 0.4038-0.2332 0.3297 ( 2289 PWs) bands (ev): -10.6686 -10.6686 -10.6630 -10.6630 -9.6616 -9.6616 -9.6304 -9.6304 -9.6219 -9.6219 3.5032 3.5032 6.6910 6.6910 8.7747 8.7747 9.1448 9.1448 9.1924 9.1924 9.2934 9.2934 9.4502 9.4502 10.1024 10.1024 10.2480 10.2480 10.3071 10.3071 12.8422 12.8422 13.5215 13.5215 13.5756 13.5756 k = 0.4135-0.2387 0.3376 ( 2301 PWs) bands (ev): -10.6686 -10.6686 -10.6632 -10.6632 -9.6618 -9.6618 -9.6304 -9.6304 -9.6220 -9.6220 3.5482 3.5482 6.7032 6.7032 8.7544 8.7544 9.1443 9.1443 9.1793 9.1793 9.2499 9.2499 9.4568 9.4568 10.1354 10.1354 10.2449 10.2449 10.3484 10.3484 12.8352 12.8352 13.4281 13.4281 13.4798 13.4798 k = 0.4231-0.2443 0.3454 ( 2301 PWs) bands (ev): -10.6685 -10.6685 -10.6635 -10.6635 -9.6619 -9.6619 -9.6305 -9.6305 -9.6220 -9.6220 3.5891 3.5891 6.7181 6.7181 8.7336 8.7336 9.1406 9.1406 9.1532 9.1532 9.2222 9.2222 9.4638 9.4638 10.1503 10.1503 10.2576 10.2576 10.3936 10.3936 12.8287 12.8287 13.3414 13.3414 13.3911 13.3911 k = 0.4327-0.2498 0.3533 ( 2301 PWs) bands (ev): -10.6684 -10.6684 -10.6637 -10.6637 -9.6620 -9.6620 -9.6305 -9.6305 -9.6221 -9.6221 3.6256 3.6256 6.7349 6.7349 8.7123 8.7123 9.1051 9.1051 9.1453 9.1453 9.2103 9.2103 9.4706 9.4706 10.1501 10.1501 10.2861 10.2861 10.4375 10.4375 12.8228 12.8228 13.2620 13.2620 13.3101 13.3101 k = 0.4423-0.2554 0.3611 ( 2293 PWs) bands (ev): -10.6683 -10.6683 -10.6639 -10.6639 -9.6620 -9.6620 -9.6305 -9.6305 -9.6221 -9.6221 3.6576 3.6576 6.7526 6.7526 8.6904 8.6904 9.0616 9.0616 9.1444 9.1444 9.2045 9.2045 9.4767 9.4767 10.1449 10.1449 10.3196 10.3196 10.4784 10.4784 12.8175 12.8175 13.1906 13.1906 13.2378 13.2378 k = 0.4519-0.2609 0.3690 ( 2285 PWs) bands (ev): -10.6682 -10.6682 -10.6641 -10.6641 -9.6621 -9.6621 -9.6305 -9.6305 -9.6221 -9.6221 3.6849 3.6849 6.7704 6.7704 8.6684 8.6684 9.0221 9.0221 9.1437 9.1437 9.2011 9.2011 9.4821 9.4821 10.1392 10.1392 10.3520 10.3520 10.5153 10.5153 12.8129 12.8129 13.1282 13.1282 13.1749 13.1749 k = 0.4615-0.2665 0.3768 ( 2285 PWs) bands (ev): -10.6681 -10.6681 -10.6643 -10.6643 -9.6622 -9.6622 -9.6306 -9.6306 -9.6221 -9.6221 3.7073 3.7073 6.7871 6.7871 8.6471 8.6471 8.9892 8.9892 9.1432 9.1432 9.1986 9.1986 9.4866 9.4866 10.1343 10.1343 10.3808 10.3808 10.5471 10.5471 12.8089 12.8089 13.0755 13.0755 13.1221 13.1221 k = 0.4712-0.2720 0.3847 ( 2273 PWs) bands (ev): -10.6680 -10.6680 -10.6644 -10.6644 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7249 3.7249 6.8017 6.8017 8.6280 8.6280 8.9639 8.9639 9.1428 9.1428 9.1969 9.1969 9.4902 9.4902 10.1307 10.1307 10.4044 10.4044 10.5730 10.5730 12.8056 12.8056 13.0335 13.0335 13.0804 13.0804 k = 0.4808-0.2776 0.3925 ( 2273 PWs) bands (ev): -10.6680 -10.6680 -10.6645 -10.6645 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7375 3.7375 6.8129 6.8129 8.6127 8.6127 8.9461 8.9461 9.1425 9.1425 9.1958 9.1958 9.4927 9.4927 10.1281 10.1281 10.4220 10.4220 10.5921 10.5921 12.8031 12.8031 13.0028 13.0028 13.0501 13.0501 k = 0.4904-0.2831 0.4004 ( 2272 PWs) bands (ev): -10.6679 -10.6679 -10.6646 -10.6646 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7451 3.7451 6.8201 6.8201 8.6028 8.6028 8.9356 8.9356 9.1423 9.1423 9.1951 9.1951 9.4943 9.4943 10.1266 10.1266 10.4329 10.4329 10.6039 10.6039 12.8015 12.8015 12.9841 12.9841 13.0318 13.0318 k = 0.5000-0.2887 0.4082 ( 2272 PWs) bands (ev): -10.6679 -10.6679 -10.6646 -10.6646 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7476 3.7476 6.8225 6.8225 8.5993 8.5993 8.9321 8.9321 9.1423 9.1423 9.1949 9.1949 9.4948 9.4948 10.1261 10.1261 10.4365 10.4365 10.6078 10.6078 12.8010 12.8010 12.9778 12.9778 13.0256 13.0256 k = 0.5000-0.2887 0.4082 ( 2272 PWs) bands (ev): -10.6679 -10.6679 -10.6646 -10.6646 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7476 3.7476 6.8225 6.8225 8.5993 8.5993 8.9321 8.9321 9.1423 9.1423 9.1949 9.1949 9.4948 9.4948 10.1261 10.1261 10.4365 10.4365 10.6078 10.6078 12.8010 12.8010 12.9778 12.9778 13.0256 13.0256 k = 0.5000-0.2776 0.4161 ( 2272 PWs) bands (ev): -10.6681 -10.6679 -10.6651 -10.6641 -9.6624 -9.6621 -9.6310 -9.6301 -9.6224 -9.6218 3.7462 3.7492 6.8231 6.8248 8.5960 8.6010 8.9301 8.9301 9.1405 9.1448 9.1857 9.2037 9.4867 9.5000 10.1158 10.1259 10.4396 10.4407 10.6072 10.6128 12.7878 12.8047 12.9773 12.9831 13.0184 13.0360 k = 0.5000-0.2665 0.4240 ( 2278 PWs) bands (ev): -10.6683 -10.6679 -10.6654 -10.6636 -9.6626 -9.6619 -9.6315 -9.6296 -9.6227 -9.6215 3.7451 3.7511 6.8266 6.8299 8.5910 8.6009 8.9240 8.9243 9.1391 9.1484 9.1761 9.2122 9.4761 9.5023 10.0973 10.1160 10.4467 10.4483 10.6131 10.6239 12.7678 12.7988 12.9796 12.9930 13.0146 13.0489 k = 0.5000-0.2554 0.4318 ( 2278 PWs) bands (ev): -10.6685 -10.6679 -10.6657 -10.6631 -9.6628 -9.6617 -9.6320 -9.6291 -9.6229 -9.6212 3.7442 3.7532 6.8329 6.8380 8.5843 8.5992 8.9137 8.9151 9.1377 9.1527 9.1664 9.2206 9.4635 9.5018 10.0743 10.0998 10.4493 10.4517 10.6307 10.6451 12.7440 12.7858 12.9830 13.0025 13.0173 13.0633 k = 0.5000-0.2443 0.4397 ( 2280 PWs) bands (ev): -10.6689 -10.6679 -10.6659 -10.6625 -9.6630 -9.6615 -9.6325 -9.6287 -9.6232 -9.6209 3.7436 3.7555 6.8421 6.8489 8.5760 8.5958 8.8995 8.9027 9.1358 9.1526 9.1616 9.2288 9.4494 9.4985 10.0500 10.0805 10.4410 10.4455 10.6631 10.6787 12.7187 12.7688 12.9867 13.0049 13.0301 13.0780 k = 0.5000-0.2332 0.4475 ( 2282 PWs) bands (ev): -10.6693 -10.6679 -10.6660 -10.6620 -9.6632 -9.6613 -9.6330 -9.6282 -9.6234 -9.6206 3.7432 3.7580 6.8540 6.8626 8.5659 8.5907 8.8815 8.8873 9.1329 9.1424 9.1673 9.2370 9.4345 9.4929 10.0266 10.0606 10.4213 10.4289 10.7080 10.7234 12.6937 12.7502 12.9904 13.0054 13.0459 13.0921 k = 0.5000-0.2221 0.4554 ( 2286 PWs) bands (ev): -10.6698 -10.6679 -10.6660 -10.6614 -9.6634 -9.6612 -9.6334 -9.6278 -9.6237 -9.6203 3.7430 3.7607 6.8686 6.8792 8.5543 8.5839 8.8598 8.8692 9.1286 9.1306 9.1749 9.2451 9.4197 9.4853 10.0051 10.0413 10.3929 10.4038 10.7614 10.7761 12.6699 12.7319 12.9942 13.0062 13.0613 13.1052 k = 0.5000-0.2110 0.4632 ( 2280 PWs) bands (ev): -10.6702 -10.6679 -10.6660 -10.6608 -9.6636 -9.6610 -9.6339 -9.6273 -9.6239 -9.6200 3.7430 3.7635 6.8859 6.8985 8.5410 8.5755 8.8348 8.8486 9.1182 9.1226 9.1833 9.2533 9.4057 9.4763 9.9862 10.0236 10.3579 10.3722 10.8202 10.8341 12.6478 12.7147 12.9981 13.0074 13.0756 13.1172 k = 0.5000-0.1999 0.4711 ( 2280 PWs) bands (ev): -10.6707 -10.6679 -10.6660 -10.6603 -9.6638 -9.6609 -9.6343 -9.6269 -9.6241 -9.6196 3.7433 3.7665 6.9058 6.9206 8.5262 8.5654 8.8065 8.8254 9.1053 9.1148 9.1925 9.2615 9.3931 9.4666 9.9701 10.0076 10.3181 10.3357 10.8822 10.8956 12.6279 12.6992 13.0020 13.0089 13.0885 13.1280 k = 0.5000-0.1887 0.4789 ( 2268 PWs) bands (ev): -10.6712 -10.6679 -10.6660 -10.6598 -9.6639 -9.6607 -9.6347 -9.6265 -9.6243 -9.6193 3.7437 3.7696 6.9282 6.9454 8.5101 8.5537 8.7752 8.7999 9.0921 9.1053 9.2022 9.2698 9.3825 9.4565 9.9564 9.9934 10.2748 10.2955 10.9461 10.9592 12.6103 12.6857 13.0059 13.0108 13.1003 13.1378 k = 0.5000-0.1776 0.4868 ( 2276 PWs) bands (ev): -10.6717 -10.6680 -10.6659 -10.6593 -9.6641 -9.6606 -9.6352 -9.6262 -9.6245 -9.6190 3.7443 3.7728 6.9529 6.9727 8.4927 8.5405 8.7411 8.7720 9.0788 9.0943 9.2122 9.2779 9.3743 9.4466 9.9450 9.9810 10.2289 10.2526 11.0108 11.0238 12.5951 12.6742 13.0097 13.0129 13.1109 13.1467 k = 0.5000-0.1665 0.4946 ( 2276 PWs) bands (ev): -10.6722 -10.6680 -10.6659 -10.6588 -9.6643 -9.6604 -9.6355 -9.6258 -9.6247 -9.6187 3.7450 3.7760 6.9798 7.0025 8.4744 8.5258 8.7044 8.7417 9.0657 9.0822 9.2227 9.2857 9.3687 9.4373 9.9356 9.9701 10.1814 10.2081 11.0754 11.0886 12.5820 12.6647 13.0136 13.0151 13.1205 13.1548 k = 0.5000-0.1554 0.5025 ( 2280 PWs) bands (ev): -10.6726 -10.6680 -10.6658 -10.6583 -9.6644 -9.6603 -9.6359 -9.6255 -9.6249 -9.6184 3.7458 3.7792 7.0089 7.0348 8.4552 8.5096 8.6656 8.7092 9.0528 9.0694 9.2335 9.2929 9.3660 9.4289 9.9277 9.9607 10.1331 10.1628 11.1393 11.1529 12.5711 12.6572 13.0173 13.0173 13.1292 13.1623 k = 0.5000-0.1443 0.5103 ( 2284 PWs) bands (ev): -10.6731 -10.6681 -10.6658 -10.6579 -9.6646 -9.6602 -9.6362 -9.6252 -9.6250 -9.6181 3.7468 3.7824 7.0398 7.0692 8.4356 8.4920 8.6250 8.6745 9.0405 9.0564 9.2445 9.2991 9.3664 9.4216 9.9208 9.9525 10.0845 10.1175 11.2019 11.2160 12.5621 12.6514 13.0196 13.0209 13.1371 13.1692 k = 0.5000-0.1332 0.5182 ( 2288 PWs) bands (ev): -10.6735 -10.6681 -10.6657 -10.6574 -9.6648 -9.6601 -9.6365 -9.6252 -9.6249 -9.6178 3.7478 3.7856 7.0724 7.1058 8.4158 8.4724 8.5837 8.6379 9.0289 9.0436 9.2556 9.3041 9.3699 9.4156 9.9146 9.9453 10.0363 10.0730 11.2625 11.2774 12.5549 12.6470 13.0217 13.0243 13.1443 13.1755 k = 0.5000-0.1221 0.5260 ( 2284 PWs) bands (ev): -10.6739 -10.6681 -10.6656 -10.6571 -9.6649 -9.6600 -9.6368 -9.6253 -9.6246 -9.6176 3.7488 3.7887 7.1063 7.1443 8.3962 8.4500 8.5431 8.5997 9.0181 9.0314 9.2667 9.3079 9.3765 9.4110 9.9082 9.9392 9.9890 10.0306 11.3207 11.3364 12.5491 12.6440 13.0237 13.0275 13.1509 13.1814 k = 0.5000-0.1110 0.5339 ( 2284 PWs) bands (ev): -10.6743 -10.6681 -10.6656 -10.6567 -9.6650 -9.6600 -9.6371 -9.6254 -9.6243 -9.6173 3.7499 3.7916 7.1413 7.1845 8.3770 8.4229 8.5057 8.5601 9.0082 9.0200 9.2774 9.3105 9.3857 9.4080 9.9003 9.9331 9.9437 9.9917 11.3759 11.3926 12.5447 12.6420 13.0255 13.0304 13.1569 13.1868 k = 0.5000-0.0999 0.5417 ( 2284 PWs) bands (ev): -10.6746 -10.6681 -10.6655 -10.6564 -9.6651 -9.6599 -9.6373 -9.6255 -9.6241 -9.6171 3.7509 3.7944 7.1770 7.2260 8.3586 8.3891 8.4745 8.5198 8.9992 9.0095 9.2876 9.3123 9.3971 9.4069 9.8877 9.8978 9.9299 9.9598 11.4276 11.4453 12.5414 12.6410 13.0271 13.0330 13.1623 13.1918 k = 0.5000-0.0888 0.5496 ( 2282 PWs) bands (ev): -10.6749 -10.6681 -10.6654 -10.6561 -9.6652 -9.6598 -9.6375 -9.6256 -9.6239 -9.6169 3.7519 3.7970 7.2127 7.2685 8.3413 8.3487 8.4499 8.4793 8.9911 9.0001 9.2968 9.3135 9.4077 9.4103 9.8553 9.8668 9.9259 9.9388 11.4753 11.4942 12.5390 12.6405 13.0284 13.0352 13.1672 13.1962 k = 0.5000-0.0777 0.5574 ( 2274 PWs) bands (ev): -10.6752 -10.6681 -10.6654 -10.6558 -9.6653 -9.6597 -9.6377 -9.6257 -9.6237 -9.6167 3.7529 3.7994 7.2480 7.3114 8.3042 8.3253 8.4305 8.4394 8.9841 8.9918 9.3049 9.3145 9.4108 9.4252 9.8146 9.8388 9.9227 9.9278 11.5187 11.5386 12.5373 12.6406 13.0295 13.0371 13.1715 13.2002 k = 0.5000-0.0666 0.5653 ( 2276 PWs) bands (ev): -10.6754 -10.6681 -10.6653 -10.6555 -9.6654 -9.6597 -9.6379 -9.6258 -9.6235 -9.6165 3.7538 3.8015 7.2821 7.3541 8.2583 8.3110 8.4009 8.4147 8.9780 8.9846 9.3114 9.3152 9.4159 9.4414 9.7760 9.8086 9.9199 9.9220 11.5572 11.5782 12.5363 12.6410 13.0304 13.0387 13.1753 13.2037 k = 0.5000-0.0555 0.5731 ( 2272 PWs) bands (ev): -10.6756 -10.6681 -10.6653 -10.6553 -9.6654 -9.6597 -9.6380 -9.6259 -9.6234 -9.6164 3.7545 3.8033 7.3140 7.3955 8.2130 8.2985 8.3649 8.4017 8.9729 8.9786 9.3159 9.3164 9.4230 9.4588 9.7397 9.7794 9.9177 9.9188 11.5905 11.6125 12.5356 12.6416 13.0310 13.0400 13.1785 13.2067 k = 0.5000-0.0444 0.5810 ( 2276 PWs) bands (ev): -10.6758 -10.6681 -10.6653 -10.6552 -9.6655 -9.6596 -9.6381 -9.6259 -9.6233 -9.6162 3.7552 3.8049 7.3427 7.4344 8.1704 8.2880 8.3327 8.3911 8.9688 8.9736 9.3163 9.3200 9.4312 9.4772 9.7058 9.7528 9.9159 9.9167 11.6183 11.6412 12.5353 12.6422 13.0314 13.0410 13.1811 13.2092 k = 0.5000-0.0333 0.5888 ( 2276 PWs) bands (ev): -10.6759 -10.6681 -10.6652 -10.6550 -9.6656 -9.6596 -9.6382 -9.6260 -9.6232 -9.6162 3.7557 3.8061 7.3669 7.4689 8.1328 8.2797 8.3055 8.3829 8.9655 8.9698 9.3166 9.3224 9.4396 9.4965 9.6746 9.7303 9.9146 9.9154 11.6402 11.6639 12.5352 12.6428 13.0317 13.0418 13.1832 13.2111 k = 0.5000-0.0222 0.5967 ( 2268 PWs) bands (ev): -10.6760 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6161 3.7561 3.8070 7.3855 7.4968 8.1026 8.2736 8.2848 8.3771 8.9633 8.9672 9.3169 9.3239 9.4471 9.5156 9.6469 9.7128 9.9136 9.9146 11.6561 11.6803 12.5351 12.6433 13.0319 13.0423 13.1847 13.2125 k = 0.5000-0.0111 0.6045 ( 2268 PWs) bands (ev): -10.6760 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6160 3.7564 3.8075 7.3972 7.5151 8.0828 8.2699 8.2719 8.3735 8.9620 8.9655 9.3170 9.3247 9.4524 9.5323 9.6251 9.7016 9.9131 9.9141 11.6657 11.6902 12.5351 12.6436 13.0320 13.0426 13.1855 13.2134 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6160 3.7564 3.8077 7.4011 7.5215 8.0758 8.2672 8.2689 8.3723 8.9615 8.9650 9.3171 9.3250 9.4542 9.5399 9.6158 9.6978 9.9129 9.9140 11.6689 11.6935 12.5351 12.6437 13.0320 13.0427 13.1858 13.2137 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6160 3.7564 3.8077 7.4011 7.5215 8.0758 8.2672 8.2689 8.3723 8.9615 8.9650 9.3171 9.3250 9.4542 9.5399 9.6158 9.6978 9.9129 9.9140 11.6689 11.6935 12.5351 12.6437 13.0320 13.0427 13.1858 13.2137 k = 0.4934 0.0114 0.6124 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6230 -9.6160 3.7560 3.8072 7.3993 7.5185 8.0663 8.2491 8.2814 8.3921 8.9595 8.9674 9.3160 9.3258 9.4538 9.5383 9.6200 9.6989 9.9128 9.9170 11.6675 11.6920 12.5334 12.6414 13.0241 13.0393 13.1936 13.2242 k = 0.4868 0.0228 0.6124 ( 2268 PWs) bands (ev): -10.6760 -10.6681 -10.6651 -10.6549 -9.6656 -9.6596 -9.6383 -9.6261 -9.6230 -9.6161 3.7548 3.8058 7.3944 7.5104 8.0425 8.2128 8.3133 8.4320 8.9565 8.9711 9.3140 9.3270 9.4526 9.5346 9.6312 9.7020 9.9155 9.9243 11.6633 11.6874 12.5281 12.6344 13.0062 13.0282 13.2161 13.2518 k = 0.4803 0.0342 0.6124 ( 2274 PWs) bands (ev): -10.6760 -10.6682 -10.6650 -10.6550 -9.6656 -9.6596 -9.6382 -9.6262 -9.6230 -9.6161 3.7529 3.8036 7.3871 7.4985 8.0126 8.1733 8.3547 8.4757 8.9537 8.9748 9.3121 9.3277 9.4509 9.5309 9.6466 9.7061 9.9228 9.9367 11.6560 11.6798 12.5191 12.6223 12.9857 13.0128 13.2498 13.2896 k = 0.4737 0.0456 0.6124 ( 2281 PWs) bands (ev): -10.6759 -10.6683 -10.6649 -10.6551 -9.6655 -9.6596 -9.6381 -9.6263 -9.6229 -9.6162 3.7505 3.8009 7.3780 7.4838 7.9814 8.1346 8.3992 8.5180 8.9512 8.9782 9.3107 9.3280 9.4489 9.5278 9.6638 9.7103 9.9362 9.9556 11.6456 11.6689 12.5065 12.6053 12.9664 12.9978 13.2906 13.3336 k = 0.4671 0.0570 0.6124 ( 2281 PWs) bands (ev): -10.6758 -10.6684 -10.6648 -10.6552 -9.6655 -9.6596 -9.6380 -9.6265 -9.6228 -9.6163 3.7477 3.7976 7.3676 7.4670 7.9514 8.0981 8.4434 8.5568 8.9493 8.9812 9.3100 9.3280 9.4471 9.5257 9.6806 9.7136 9.9573 9.9820 11.6316 11.6545 12.4904 12.5838 12.9499 12.9856 13.3360 13.3815 k = 0.4605 0.0684 0.6124 ( 2281 PWs) bands (ev): -10.6757 -10.6685 -10.6646 -10.6553 -9.6655 -9.6596 -9.6379 -9.6266 -9.6227 -9.6164 3.7446 3.7940 7.3562 7.4488 7.9235 8.0642 8.4850 8.5907 8.9481 8.9837 9.3099 9.3283 9.4454 9.5243 9.6953 9.7154 9.9877 10.0168 11.6136 11.6362 12.4714 12.5585 12.9371 12.9773 13.3847 13.4320 k = 0.4539 0.0798 0.6124 ( 2280 PWs) bands (ev): -10.6756 -10.6686 -10.6644 -10.6555 -9.6654 -9.6596 -9.6377 -9.6269 -9.6225 -9.6165 3.7414 3.7902 7.3442 7.4297 7.8982 8.0332 8.5229 8.6191 8.9478 8.9859 9.3107 9.3291 9.4438 9.5233 9.7069 9.7155 10.0281 10.0599 11.5913 11.6137 12.4503 12.5308 12.9280 12.9728 13.4359 13.4846 k = 0.4474 0.0912 0.6124 ( 2278 PWs) bands (ev): -10.6755 -10.6688 -10.6641 -10.6557 -9.6654 -9.6595 -9.6376 -9.6271 -9.6224 -9.6166 3.7380 3.7863 7.3320 7.4103 7.8757 8.0053 8.5560 8.6419 8.9485 8.9878 9.3124 9.3306 9.4421 9.5227 9.7141 9.7152 10.0781 10.1110 11.5641 11.5864 12.4279 12.5019 12.9223 12.9718 13.4889 13.5387 k = 0.4408 0.1026 0.6124 ( 2280 PWs) bands (ev): -10.6754 -10.6689 -10.6638 -10.6559 -9.6653 -9.6595 -9.6374 -9.6273 -9.6222 -9.6167 3.7347 3.7824 7.3197 7.3910 7.8560 7.9805 8.5841 8.6594 8.9502 8.9896 9.3152 9.3328 9.4402 9.5221 9.7115 9.7207 10.1368 10.1693 11.5319 11.5541 12.4054 12.4731 12.9195 12.9735 13.5436 13.5940 k = 0.4342 0.1140 0.6124 ( 2280 PWs) bands (ev): -10.6753 -10.6690 -10.6636 -10.6561 -9.6653 -9.6595 -9.6372 -9.6276 -9.6221 -9.6168 3.7314 3.7785 7.3078 7.3722 7.8389 7.9586 8.6068 8.6722 8.9529 8.9915 9.3188 9.3355 9.4381 9.5215 9.7080 9.7239 10.2027 10.2339 11.4941 11.5163 12.3836 12.4454 12.9192 12.9771 13.5995 13.6502 k = 0.4276 0.1253 0.6124 ( 2275 PWs) bands (ev): -10.6752 -10.6692 -10.6633 -10.6564 -9.6652 -9.6595 -9.6370 -9.6278 -9.6219 -9.6169 3.7283 3.7748 7.2964 7.3543 7.8242 7.9397 8.6243 8.6814 8.9563 8.9936 9.3234 9.3388 9.4357 9.5210 9.7041 9.7255 10.2744 10.3038 11.4509 11.4729 12.3634 12.4196 12.9206 12.9821 13.6567 13.7073 k = 0.4211 0.1367 0.6124 ( 2284 PWs) bands (ev): -10.6751 -10.6693 -10.6630 -10.6566 -9.6652 -9.6595 -9.6368 -9.6281 -9.6218 -9.6170 3.7254 3.7714 7.2858 7.3377 7.8119 7.9235 8.6371 8.6878 8.9603 8.9957 9.3286 9.3423 9.4329 9.5203 9.7000 9.7260 10.3506 10.3779 11.4020 11.4239 12.3453 12.3965 12.9232 12.9878 13.7147 13.7649 k = 0.4145 0.1481 0.6124 ( 2284 PWs) bands (ev): -10.6750 -10.6694 -10.6627 -10.6569 -9.6652 -9.6595 -9.6366 -9.6283 -9.6217 -9.6172 3.7228 3.7682 7.2762 7.3226 7.8017 7.9099 8.6457 8.6921 8.9646 8.9977 9.3344 9.3459 9.4299 9.5195 9.6959 9.7258 10.4302 10.4555 11.3477 11.3694 12.3297 12.3762 12.9265 12.9937 13.7735 13.8229 k = 0.4079 0.1595 0.6124 ( 2282 PWs) bands (ev): -10.6749 -10.6695 -10.6624 -10.6571 -9.6651 -9.6594 -9.6364 -9.6285 -9.6216 -9.6173 3.7205 3.7655 7.2678 7.3093 7.7934 7.8988 8.6511 8.6949 8.9692 8.9994 9.3403 9.3495 9.4267 9.5186 9.6921 9.7253 10.5120 10.5355 11.2883 11.3096 12.3167 12.3590 12.9301 12.9995 13.8327 13.8808 k = 0.4013 0.1709 0.6124 ( 2284 PWs) bands (ev): -10.6748 -10.6696 -10.6622 -10.6574 -9.6651 -9.6594 -9.6362 -9.6288 -9.6215 -9.6173 3.7186 3.7632 7.2607 7.2981 7.7868 7.8899 8.6543 8.6966 8.9735 9.0006 9.3461 9.3527 9.4234 9.5178 9.6888 9.7246 10.5950 10.6169 11.2242 11.2452 12.3063 12.3450 12.9335 13.0046 13.8917 13.9380 k = 0.3947 0.1823 0.6124 ( 2286 PWs) bands (ev): -10.6747 -10.6697 -10.6619 -10.6576 -9.6651 -9.6594 -9.6360 -9.6289 -9.6214 -9.6174 3.7171 3.7613 7.2551 7.2892 7.7818 7.8831 8.6559 8.6976 8.9775 9.0014 9.3514 9.3555 9.4202 9.5169 9.6861 9.7239 10.6784 10.6990 11.1558 11.1765 12.2984 12.3342 12.9365 13.0089 13.9495 13.9932 k = 0.3882 0.1937 0.6124 ( 2292 PWs) bands (ev): -10.6747 -10.6697 -10.6617 -10.6578 -9.6651 -9.6594 -9.6359 -9.6291 -9.6213 -9.6175 3.7160 3.7600 7.2511 7.2827 7.7783 7.8784 8.6566 8.6980 8.9807 9.0017 9.3557 9.3576 9.4175 9.5162 9.6841 9.7233 10.7612 10.7806 11.0838 11.1047 12.2929 12.3265 12.9388 13.0121 14.0039 14.0437 k = 0.3816 0.2051 0.6124 ( 2292 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6579 -9.6651 -9.6594 -9.6358 -9.6292 -9.6213 -9.6175 3.7153 3.7592 7.2487 7.2787 7.7763 7.8756 8.6569 8.6982 8.9829 9.0018 9.3585 9.3591 9.4156 9.5158 9.6828 9.7229 10.8417 10.8596 11.0100 11.0315 12.2897 12.3219 12.9403 13.0141 14.0489 14.0828 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.3682 0.2126 0.6012 ( 2299 PWs) bands (ev): -10.6749 -10.6698 -10.6612 -10.6579 -9.6651 -9.6594 -9.6358 -9.6294 -9.6212 -9.6174 3.7067 3.7514 7.2907 7.3216 7.6975 7.7967 8.6189 8.6585 9.0026 9.0199 9.3588 9.3668 9.4156 9.5274 9.6691 9.7318 10.9381 10.9489 10.9884 11.0115 12.2482 12.2793 12.9653 13.0430 14.1656 14.1922 k = 0.3614 0.2086 0.5901 ( 2301 PWs) bands (ev): -10.6750 -10.6698 -10.6609 -10.6579 -9.6651 -9.6593 -9.6357 -9.6296 -9.6210 -9.6172 3.6965 3.7420 7.3342 7.3663 7.6215 7.7204 8.5813 8.6194 9.0216 9.0376 9.3582 9.3724 9.4149 9.5378 9.6597 9.7436 10.9774 10.9846 11.0265 11.0470 12.2062 12.2367 12.9924 13.0735 14.2501 14.2636 k = 0.3545 0.2047 0.5790 ( 2303 PWs) bands (ev): -10.6752 -10.6698 -10.6605 -10.6579 -9.6651 -9.6592 -9.6356 -9.6298 -9.6210 -9.6171 3.6843 3.7302 7.3771 7.4092 7.5507 7.6476 8.5444 8.5810 9.0402 9.0547 9.3573 9.3769 9.4133 9.5447 9.6560 9.7573 11.0179 11.0200 11.0696 11.0864 12.1625 12.1925 13.0217 13.1061 14.2436 14.3046 k = 0.3477 0.2008 0.5678 ( 2299 PWs) bands (ev): -10.6753 -10.6698 -10.6602 -10.6579 -9.6650 -9.6591 -9.6355 -9.6299 -9.6209 -9.6170 3.6698 3.7160 7.4156 7.4316 7.5042 7.5829 8.5084 8.5436 9.0583 9.0708 9.3560 9.3806 9.4111 9.5462 9.6588 9.7721 11.0549 11.0585 11.1185 11.1314 12.1173 12.1467 13.0527 13.1399 14.2331 14.2985 k = 0.3409 0.1968 0.5567 ( 2301 PWs) bands (ev): -10.6753 -10.6698 -10.6598 -10.6580 -9.6649 -9.6591 -9.6354 -9.6301 -9.6209 -9.6169 3.6530 3.6991 7.3881 7.4314 7.5279 7.5449 8.4733 8.5072 9.0756 9.0858 9.3541 9.3836 9.4088 9.5424 9.6678 9.7872 11.0892 11.0978 11.1737 11.1838 12.0706 12.0994 13.0846 13.1741 14.2217 14.2907 k = 0.3341 0.1929 0.5456 ( 2301 PWs) bands (ev): -10.6753 -10.6698 -10.6595 -10.6581 -9.6648 -9.6590 -9.6352 -9.6302 -9.6209 -9.6168 3.6335 3.6793 7.3271 7.3981 7.5608 7.5738 8.4394 8.4720 9.0919 9.0996 9.3515 9.3862 9.4067 9.5346 9.6807 9.8021 11.1233 11.1355 11.2352 11.2443 12.0224 12.0508 13.1166 13.2078 14.2109 14.2829 k = 0.3273 0.1890 0.5344 ( 2301 PWs) bands (ev): -10.6753 -10.6698 -10.6592 -10.6582 -9.6647 -9.6590 -9.6350 -9.6303 -9.6209 -9.6167 3.6112 3.6564 7.2676 7.3441 7.6023 7.6235 8.4067 8.4381 9.1071 9.1121 9.3480 9.3884 9.4049 9.5245 9.6956 9.8163 11.1573 11.1720 11.3032 11.3129 11.9731 12.0009 13.1478 13.2397 14.2026 14.2768 k = 0.3205 0.1850 0.5233 ( 2301 PWs) bands (ev): -10.6752 -10.6697 -10.6589 -10.6584 -9.6645 -9.6589 -9.6348 -9.6305 -9.6210 -9.6166 3.5860 3.6303 7.2120 7.2888 7.6505 7.6746 8.3754 8.4055 9.1212 9.1232 9.3436 9.3903 9.4036 9.5129 9.7110 9.8292 11.1915 11.2078 11.3777 11.3892 11.9227 11.9499 13.1770 13.2682 14.1985 14.2737 k = 0.3136 0.1811 0.5122 ( 2305 PWs) bands (ev): -10.6751 -10.6697 -10.6586 -10.6585 -9.6643 -9.6589 -9.6346 -9.6306 -9.6211 -9.6165 3.5576 3.6008 7.1614 7.2366 7.7015 7.7265 8.3456 8.3744 9.1330 9.1340 9.3383 9.3919 9.4026 9.5005 9.7260 9.8405 11.2256 11.2431 11.4586 11.4728 11.8720 11.8983 13.2030 13.2918 14.2007 14.2755 k = 0.3068 0.1771 0.5010 ( 2305 PWs) bands (ev): -10.6749 -10.6697 -10.6587 -10.6583 -9.6641 -9.6589 -9.6343 -9.6307 -9.6213 -9.6165 3.5260 3.5679 7.1161 7.1889 7.7539 7.7788 8.3174 8.3448 9.1414 9.1456 9.3323 9.3934 9.4021 9.4876 9.7400 9.8500 11.2597 11.2779 11.5448 11.5629 11.8223 11.8471 13.2246 13.3090 14.2112 14.2836 k = 0.3000 0.1732 0.4899 ( 2301 PWs) bands (ev): -10.6747 -10.6696 -10.6590 -10.6580 -9.6639 -9.6588 -9.6340 -9.6308 -9.6214 -9.6164 3.4912 3.5315 7.0766 7.1464 7.8073 7.8314 8.2910 8.3168 9.1486 9.1560 9.3257 9.3947 9.4019 9.4743 9.7526 9.8575 11.2934 11.3121 11.6307 11.6557 11.7799 11.8005 13.2405 13.3186 14.2316 14.2997 k = 0.2932 0.1693 0.4788 ( 2297 PWs) bands (ev): -10.6745 -10.6695 -10.6592 -10.6577 -9.6636 -9.6588 -9.6337 -9.6308 -9.6216 -9.6164 3.4531 3.4917 7.0430 7.1096 7.8613 7.8839 8.2667 8.2906 9.1545 9.1653 9.3185 9.3958 9.4018 9.4609 9.7634 9.8628 11.3259 11.3449 11.6727 11.7083 11.7891 11.8021 13.2502 13.3200 14.2628 14.3248 k = 0.2864 0.1653 0.4676 ( 2297 PWs) bands (ev): -10.6742 -10.6695 -10.6594 -10.6574 -9.6634 -9.6587 -9.6334 -9.6309 -9.6218 -9.6164 3.4118 3.4485 7.0154 7.0786 7.9156 7.9358 8.2446 8.2661 9.1593 9.1736 9.3109 9.3964 9.4019 9.4473 9.7723 9.8659 11.3555 11.3747 11.6425 11.6754 11.8800 11.8988 13.2532 13.3133 14.3050 14.3597 k = 0.2795 0.1614 0.4565 ( 2289 PWs) bands (ev): -10.6739 -10.6694 -10.6597 -10.6572 -9.6631 -9.6587 -9.6331 -9.6309 -9.6220 -9.6163 3.3673 3.4020 6.9941 7.0537 7.9700 7.9863 8.2257 8.2438 9.1629 9.1809 9.3029 9.3963 9.4020 9.4342 9.7793 9.8668 11.3782 11.3976 11.6033 11.6348 11.9936 12.0166 13.2498 13.2994 14.3579 14.4046 k = 0.2727 0.1575 0.4454 ( 2297 PWs) bands (ev): -10.6735 -10.6693 -10.6600 -10.6570 -9.6628 -9.6587 -9.6328 -9.6310 -9.6222 -9.6164 3.3198 3.3523 6.9788 7.0348 8.0237 8.0336 8.2115 8.2240 9.1654 9.1874 9.2947 9.3944 9.4021 9.4224 9.7843 9.8655 11.3851 11.4054 11.5766 11.6067 12.1170 12.1433 13.2406 13.2793 14.4206 14.4592 k = 0.2659 0.1535 0.4342 ( 2291 PWs) bands (ev): -10.6732 -10.6692 -10.6602 -10.6567 -9.6624 -9.6586 -9.6325 -9.6311 -9.6224 -9.6164 3.2694 3.2998 6.9697 7.0221 8.0736 8.0752 8.2061 8.2082 9.1669 9.1931 9.2863 9.3884 9.4023 9.4144 9.7873 9.8620 11.3666 11.3889 11.5742 11.6022 12.2482 12.2770 13.2266 13.2546 14.4921 14.5229 k = 0.2591 0.1496 0.4231 ( 2289 PWs) bands (ev): -10.6728 -10.6691 -10.6605 -10.6565 -9.6621 -9.6586 -9.6321 -9.6311 -9.6227 -9.6164 3.2163 3.2446 6.9666 7.0153 8.0980 8.1190 8.2019 8.2176 9.1672 9.1981 9.2779 9.3773 9.4024 9.4110 9.7883 9.8565 11.3261 11.3502 11.5933 11.6195 12.3863 12.4170 13.2090 13.2264 14.5712 14.5948 k = 0.2523 0.1456 0.4120 ( 2281 PWs) bands (ev): -10.6723 -10.6690 -10.6608 -10.6563 -9.6618 -9.6585 -9.6318 -9.6312 -9.6229 -9.6164 3.1608 3.1869 6.9693 7.0145 8.1042 8.1385 8.2214 8.2487 9.1666 9.2025 9.2696 9.3634 9.4025 9.4101 9.7876 9.8491 11.2736 11.2989 11.6242 11.6492 12.5309 12.5623 13.1895 13.1961 14.6571 14.6743 k = 0.2455 0.1417 0.4008 ( 2285 PWs) bands (ev): -10.6719 -10.6689 -10.6611 -10.6561 -9.6614 -9.6585 -9.6314 -9.6312 -9.6231 -9.6165 3.1032 3.1271 6.9776 7.0194 8.1003 8.1353 8.2650 8.2909 9.1648 9.2064 9.2615 9.3481 9.4025 9.4102 9.7850 9.8397 11.2153 11.2414 11.6610 11.6852 12.6816 12.7115 13.1647 13.1701 14.7488 14.7603 k = 0.2386 0.1378 0.3897 ( 2287 PWs) bands (ev): -10.6714 -10.6688 -10.6614 -10.6560 -9.6611 -9.6584 -9.6313 -9.6311 -9.6234 -9.6165 3.0436 3.0655 6.9914 7.0299 8.0931 8.1264 8.3155 8.3371 9.1620 9.2098 9.2538 9.3323 9.4025 9.4106 9.7809 9.8287 11.1537 11.1805 11.7010 11.7248 12.8379 12.8602 13.1334 13.1559 14.8456 14.8521 k = 0.2318 0.1338 0.3786 ( 2283 PWs) bands (ev): -10.6709 -10.6687 -10.6616 -10.6558 -9.6607 -9.6583 -9.6313 -9.6307 -9.6237 -9.6166 2.9825 3.0024 7.0103 7.0457 8.0855 8.1172 8.3673 8.3846 9.1581 9.2127 9.2466 9.3162 9.4024 9.4112 9.7753 9.8161 11.0903 11.1177 11.7433 11.7667 12.9879 12.9981 13.1043 13.1678 14.9469 14.9490 k = 0.2250 0.1299 0.3674 ( 2291 PWs) bands (ev): -10.6705 -10.6686 -10.6619 -10.6557 -9.6604 -9.6582 -9.6313 -9.6304 -9.6239 -9.6167 2.9201 2.9381 7.0342 7.0665 8.0785 8.1089 8.4189 8.4317 9.1531 9.2150 9.2399 9.3001 9.4022 9.4118 9.7684 9.8022 11.0257 11.0537 11.7872 11.8103 13.0372 13.0672 13.1727 13.2639 15.0501 15.0518 k = 0.2182 0.1260 0.3563 ( 2287 PWs) bands (ev): -10.6700 -10.6685 -10.6621 -10.6556 -9.6600 -9.6581 -9.6314 -9.6300 -9.6242 -9.6168 2.8567 2.8729 7.0627 7.0923 8.0728 8.1021 8.4696 8.4780 9.1473 9.2166 9.2338 9.2846 9.4019 9.4123 9.7603 9.7871 10.9602 10.9889 11.8325 11.8552 13.0328 13.0410 13.3431 13.4196 15.1548 15.1599 k = 0.2114 0.1220 0.3452 ( 2283 PWs) bands (ev): -10.6694 -10.6684 -10.6624 -10.6555 -9.6596 -9.6580 -9.6314 -9.6297 -9.6244 -9.6169 2.7925 2.8071 7.0956 7.1226 8.0684 8.0968 8.5188 8.5228 9.1410 9.2169 9.2283 9.2702 9.4015 9.4129 9.7514 9.7711 10.8943 10.9236 11.8789 11.9013 13.0151 13.0174 13.5200 13.5926 15.2622 15.2703 k = 0.2045 0.1181 0.3340 ( 2283 PWs) bands (ev): -10.6689 -10.6682 -10.6626 -10.6555 -9.6593 -9.6579 -9.6314 -9.6293 -9.6247 -9.6170 2.7280 2.7410 7.1325 7.1572 8.0656 8.0933 8.5657 8.5661 9.1343 9.2144 9.2233 9.2586 9.4010 9.4133 9.7417 9.7544 10.8281 10.8581 11.9264 11.9484 12.9913 13.0002 13.7016 13.7736 15.3714 15.3820 k = 0.1977 0.1142 0.3229 ( 2281 PWs) bands (ev): -10.6684 -10.6681 -10.6628 -10.6554 -9.6589 -9.6578 -9.6314 -9.6290 -9.6249 -9.6171 2.6633 2.6749 7.1733 7.1958 8.0644 8.0914 8.6063 8.6110 9.1279 9.2077 9.2188 9.2515 9.4001 9.4137 9.7314 9.7372 10.7618 10.7926 11.9747 11.9964 12.9702 12.9837 13.8873 13.9602 15.4811 15.4939 k = 0.1909 0.1102 0.3118 ( 2281 PWs) bands (ev): -10.6679 -10.6679 -10.6630 -10.6554 -9.6586 -9.6576 -9.6314 -9.6287 -9.6251 -9.6173 2.5988 2.6090 7.2177 7.2381 8.0648 8.0913 8.6441 8.6527 9.1222 9.1970 9.2146 9.2490 9.3990 9.4139 9.7199 9.7209 10.6955 10.7273 12.0239 12.0452 12.9519 12.9690 14.0768 14.1514 15.5893 15.6038 k = 0.1841 0.1063 0.3006 ( 2277 PWs) bands (ev): -10.6678 -10.6674 -10.6631 -10.6554 -9.6582 -9.6575 -9.6315 -9.6283 -9.6253 -9.6175 2.5346 2.5436 7.2652 7.2839 8.0670 8.0929 8.6786 8.6906 9.1179 9.1844 9.2107 9.2493 9.3974 9.4140 9.7028 9.7103 10.6296 10.6623 12.0739 12.0947 12.9366 12.9564 14.2696 14.3467 15.6927 15.7084 k = 0.1773 0.1023 0.2895 ( 2277 PWs) bands (ev): -10.6676 -10.6669 -10.6633 -10.6554 -9.6579 -9.6573 -9.6315 -9.6280 -9.6255 -9.6176 2.4710 2.4790 7.3157 7.3327 8.0708 8.0963 8.7095 8.7237 9.1157 9.1717 9.2072 9.2509 9.3953 9.4139 9.6862 9.6999 10.5641 10.5978 12.1245 12.1449 12.9244 12.9463 14.4652 14.5455 15.7859 15.8017 k = 0.1705 0.0984 0.2784 ( 2269 PWs) bands (ev): -10.6675 -10.6664 -10.6634 -10.6554 -9.6576 -9.6571 -9.6314 -9.6277 -9.6257 -9.6178 2.4083 2.4153 7.3688 7.3844 8.0764 8.1015 8.7360 8.7512 9.1163 9.1600 9.2043 9.2534 9.3925 9.4135 9.6705 9.6900 10.4992 10.5341 12.1757 12.1956 12.9154 12.9388 14.6630 14.7475 15.8587 15.8732 k = 0.1636 0.0945 0.2672 ( 2271 PWs) bands (ev): -10.6673 -10.6659 -10.6634 -10.6555 -9.6572 -9.6569 -9.6314 -9.6275 -9.6259 -9.6180 2.3467 2.3527 7.4242 7.4386 8.0837 8.1084 8.7576 8.7722 9.1197 9.1500 9.2025 9.2564 9.3888 9.4128 9.6560 9.6807 10.4351 10.4713 12.2273 12.2467 12.9095 12.9339 14.8618 14.9522 15.8963 15.9089 k = 0.1568 0.0905 0.2561 ( 2275 PWs) bands (ev): -10.6672 -10.6654 -10.6635 -10.6556 -9.6569 -9.6568 -9.6314 -9.6272 -9.6261 -9.6183 2.2863 2.2915 7.4816 7.4950 8.0926 8.1170 8.7739 8.7865 9.1251 9.1421 9.2029 9.2599 9.3839 9.4118 9.6430 9.6723 10.3719 10.4095 12.2794 12.2983 12.9066 12.9317 15.0595 15.1590 15.8872 15.9009 k = 0.1500 0.0866 0.2449 ( 2271 PWs) bands (ev): -10.6670 -10.6649 -10.6636 -10.6557 -9.6566 -9.6566 -9.6313 -9.6270 -9.6263 -9.6185 2.2273 2.2318 7.5406 7.5532 8.1033 8.1274 8.7845 8.7941 9.1304 9.1366 9.2074 9.2639 9.3779 9.4103 9.6319 9.6650 10.3100 10.3490 12.3317 12.3500 12.9067 12.9320 15.2510 15.3666 15.8363 15.8605 k = 0.1432 0.0827 0.2338 ( 2271 PWs) bands (ev): -10.6668 -10.6645 -10.6636 -10.6558 -9.6564 -9.6563 -9.6313 -9.6268 -9.6264 -9.6187 2.1699 2.1738 7.6009 7.6129 8.1158 8.1396 8.7895 8.7958 9.1329 9.1333 9.2181 9.2686 9.3704 9.4083 9.6228 9.6589 10.2495 10.2900 12.3842 12.4020 12.9095 12.9348 15.4179 15.5675 15.7647 15.8197 k = 0.1364 0.0787 0.2227 ( 2271 PWs) bands (ev): -10.6666 -10.6641 -10.6636 -10.6559 -9.6561 -9.6561 -9.6312 -9.6266 -9.6265 -9.6190 2.1143 2.1176 7.6621 7.6737 8.1299 8.1534 8.7893 8.7927 9.1314 9.1316 9.2352 9.2742 9.3614 9.4057 9.6159 9.6542 10.1906 10.2328 12.4367 12.4539 12.9149 12.9399 15.4977 15.6285 15.8176 15.8517 k = 0.1295 0.0748 0.2115 ( 2271 PWs) bands (ev): -10.6664 -10.6637 -10.6635 -10.6561 -9.6559 -9.6558 -9.6312 -9.6267 -9.6264 -9.6193 2.0606 2.0634 7.7238 7.7352 8.1457 8.1691 8.7845 8.7858 9.1263 9.1307 9.2570 9.2808 9.3509 9.4024 9.6112 9.6509 10.1338 10.1775 12.4891 12.5056 12.9227 12.9471 15.4582 15.5317 15.9948 16.0197 k = 0.1227 0.0709 0.2004 ( 2281 PWs) bands (ev): -10.6663 -10.6635 -10.6634 -10.6563 -9.6557 -9.6556 -9.6311 -9.6268 -9.6262 -9.6196 2.0090 2.0113 7.7856 7.7969 8.1632 8.1864 8.7761 8.7762 9.1186 9.1294 9.2811 9.2884 9.3395 9.3987 9.6085 9.6491 10.0792 10.1244 12.5412 12.5571 12.9326 12.9562 15.3695 15.4200 16.1820 16.2317 k = 0.1159 0.0669 0.1893 ( 2269 PWs) bands (ev): -10.6660 -10.6634 -10.6630 -10.6564 -9.6555 -9.6553 -9.6309 -9.6269 -9.6261 -9.6199 1.9595 1.9614 7.8471 7.8585 8.1825 8.2056 8.7646 8.7649 9.1091 9.1271 9.2964 9.3023 9.3313 9.3955 9.6079 9.6486 10.0273 10.0739 12.5928 12.6080 12.9444 12.9670 15.2655 15.3040 16.3807 16.4449 k = 0.1091 0.0630 0.1781 ( 2269 PWs) bands (ev): -10.6658 -10.6633 -10.6627 -10.6566 -9.6553 -9.6551 -9.6308 -9.6269 -9.6259 -9.6202 1.9123 1.9138 7.9077 7.9194 8.2036 8.2265 8.7517 8.7518 9.0981 9.1233 9.3002 9.3027 9.3456 9.3940 9.6089 9.6492 9.9785 10.0262 12.6438 12.6582 12.9577 12.9791 15.1557 15.1864 16.5818 16.6574 k = 0.1023 0.0590 0.1670 ( 2277 PWs) bands (ev): -10.6656 -10.6633 -10.6624 -10.6568 -9.6551 -9.6549 -9.6307 -9.6270 -9.6259 -9.6205 1.8674 1.8687 7.9669 7.9790 8.2263 8.2493 8.7373 8.7381 9.0860 9.1177 9.2839 9.3045 9.3727 9.3969 9.6113 9.6509 9.9331 9.9815 12.6938 12.7075 12.9723 12.9924 15.0439 15.0689 16.7809 16.8677 k = 0.0955 0.0551 0.1559 ( 2277 PWs) bands (ev): -10.6654 -10.6631 -10.6621 -10.6571 -9.6549 -9.6547 -9.6305 -9.6271 -9.6258 -9.6209 1.8251 1.8261 8.0242 8.0369 8.2510 8.2740 8.7222 8.7242 9.0730 9.1103 9.2641 9.2992 9.4017 9.4063 9.6148 9.6534 9.8915 9.9402 12.7426 12.7556 12.9877 13.0065 14.9321 14.9525 16.9744 17.0741 k = 0.0886 0.0512 0.1447 ( 2277 PWs) bands (ev): -10.6651 -10.6630 -10.6619 -10.6573 -9.6547 -9.6545 -9.6303 -9.6271 -9.6257 -9.6212 1.7853 1.7861 8.0792 8.0923 8.2775 8.3007 8.7068 8.7103 9.0593 9.1013 9.2417 9.2868 9.4220 9.4313 9.6193 9.6565 9.8541 9.9023 12.7901 12.8023 13.0038 13.0212 14.8219 14.8383 17.1576 17.2729 k = 0.0818 0.0472 0.1336 ( 2273 PWs) bands (ev): -10.6649 -10.6629 -10.6617 -10.6575 -9.6545 -9.6543 -9.6301 -9.6271 -9.6257 -9.6216 1.7481 1.7488 8.1312 8.1447 8.3060 8.3295 8.6917 8.6969 9.0452 9.0908 9.2172 9.2683 9.4422 9.4610 9.6243 9.6600 9.8210 9.8680 12.8359 12.8473 13.0202 13.0361 14.7142 14.7273 17.3223 17.4363 k = 0.0750 0.0433 0.1225 ( 2271 PWs) bands (ev): -10.6646 -10.6627 -10.6615 -10.6578 -9.6543 -9.6542 -9.6299 -9.6271 -9.6257 -9.6220 1.7137 1.7142 8.1797 8.1934 8.3363 8.3603 8.6771 8.6842 9.0307 9.0791 9.1907 9.2451 9.4655 9.4904 9.6298 9.6637 9.7923 9.8374 12.8798 12.8903 13.0366 13.0510 14.6102 14.6204 17.4537 17.4994 k = 0.0682 0.0394 0.1113 ( 2275 PWs) bands (ev): -10.6643 -10.6626 -10.6614 -10.6581 -9.6541 -9.6540 -9.6297 -9.6271 -9.6257 -9.6224 1.6821 1.6824 8.2246 8.2381 8.3683 8.3930 8.6634 8.6725 9.0160 9.0663 9.1625 9.2181 9.4907 9.5193 9.6354 9.6673 9.7679 9.8103 12.9213 12.9310 13.0526 13.0656 14.5108 14.5186 17.5400 17.5461 k = 0.0614 0.0354 0.1002 ( 2281 PWs) bands (ev): -10.6641 -10.6625 -10.6613 -10.6584 -9.6539 -9.6539 -9.6294 -9.6271 -9.6257 -9.6228 1.6532 1.6535 8.2657 8.2786 8.4014 8.4270 8.6509 8.6621 9.0014 9.0526 9.1329 9.1883 9.5169 9.5473 9.6411 9.6709 9.7474 9.7867 12.9603 12.9691 13.0681 13.0795 14.4169 14.4227 17.5875 17.5947 k = 0.0545 0.0315 0.0891 ( 2267 PWs) bands (ev): -10.6638 -10.6623 -10.6612 -10.6586 -9.6538 -9.6537 -9.6291 -9.6270 -9.6257 -9.6231 1.6273 1.6275 8.3032 8.3150 8.4351 8.4616 8.6400 8.6532 8.9871 9.0383 9.1025 9.1564 9.5435 9.5742 9.6467 9.6743 9.7306 9.7663 12.9964 13.0043 13.0827 13.0927 14.3295 14.3337 17.6236 17.6337 k = 0.0477 0.0276 0.0779 ( 2263 PWs) bands (ev): -10.6634 -10.6621 -10.6611 -10.6589 -9.6536 -9.6536 -9.6288 -9.6270 -9.6257 -9.6235 1.6044 1.6045 8.3370 8.3472 8.4685 8.4957 8.6308 8.6462 8.9734 9.0234 9.0717 9.1232 9.5696 9.5992 9.6521 9.6773 9.7171 9.7490 13.0293 13.0363 13.0961 13.1047 14.2496 14.2524 17.6536 17.6625 k = 0.0409 0.0236 0.0668 ( 2259 PWs) bands (ev): -10.6631 -10.6620 -10.6610 -10.6592 -9.6535 -9.6535 -9.6285 -9.6269 -9.6258 -9.6239 1.5844 1.5845 8.3673 8.3755 8.5008 8.5282 8.6239 8.6411 8.9606 9.0084 9.0414 9.0895 9.5945 9.6219 9.6573 9.6800 9.7065 9.7344 13.0586 13.0646 13.1083 13.1155 14.1780 14.1798 17.6763 17.6826 k = 0.0341 0.0197 0.0557 ( 2253 PWs) bands (ev): -10.6628 -10.6618 -10.6610 -10.6596 -9.6534 -9.6534 -9.6281 -9.6268 -9.6258 -9.6243 1.5674 1.5674 8.3937 8.3997 8.5313 8.5581 8.6195 8.6379 8.9493 8.9933 9.0124 9.0563 9.6173 9.6414 9.6625 9.6824 9.6984 9.7223 13.0840 13.0891 13.1190 13.1248 14.1157 14.1167 17.6913 17.6950 k = 0.0273 0.0157 0.0445 ( 2257 PWs) bands (ev): -10.6625 -10.6617 -10.6610 -10.6599 -9.6533 -9.6533 -9.6278 -9.6267 -9.6259 -9.6247 1.5535 1.5535 8.4158 8.4196 8.5592 8.5843 8.6178 8.6365 8.9400 8.9787 8.9861 9.0246 9.6373 9.6560 9.6688 9.6842 9.6927 9.7125 13.1054 13.1095 13.1280 13.1326 14.0634 14.0639 17.6994 17.7011 k = 0.0205 0.0118 0.0334 ( 2257 PWs) bands (ev): -10.6622 -10.6615 -10.6610 -10.6602 -9.6533 -9.6533 -9.6274 -9.6266 -9.6260 -9.6251 1.5426 1.5426 8.4331 8.4350 8.5840 8.6056 8.6189 8.6361 8.9333 8.9639 8.9649 8.9955 9.6533 9.6638 9.6777 9.6858 9.6894 9.7048 13.1223 13.1254 13.1352 13.1386 14.0219 14.0221 17.7023 17.7030 k = 0.0136 0.0079 0.0223 ( 2257 PWs) bands (ev): -10.6619 -10.6614 -10.6611 -10.6606 -9.6532 -9.6532 -9.6271 -9.6265 -9.6261 -9.6255 1.5348 1.5348 8.4453 8.4459 8.6046 8.6208 8.6222 8.6357 8.9302 8.9476 8.9528 8.9704 9.6641 9.6674 9.6859 9.6873 9.6888 9.6989 13.1348 13.1368 13.1406 13.1428 13.9918 13.9918 17.7025 17.7026 k = 0.0068 0.0039 0.0111 ( 2265 PWs) bands (ev): -10.6616 -10.6613 -10.6611 -10.6609 -9.6532 -9.6532 -9.6267 -9.6264 -9.6262 -9.6259 1.5302 1.5302 8.4523 8.4524 8.6201 8.6265 8.6288 8.6341 8.9313 8.9388 8.9432 8.9509 9.6690 9.6694 9.6896 9.6900 9.6906 9.6946 13.1425 13.1435 13.1440 13.1451 13.9735 13.9735 17.7017 17.7017 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.6612 -10.6612 -10.6612 -10.6612 -9.6532 -9.6532 -9.6264 -9.6264 -9.6264 -9.6264 1.5286 1.5286 8.4546 8.4546 8.6297 8.6297 8.6297 8.6297 8.9379 8.9379 8.9379 8.9379 9.6701 9.6701 9.6916 9.6916 9.6916 9.6916 13.1455 13.1455 13.1455 13.1455 13.9674 13.9674 17.7013 17.7013 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.6612 -10.6612 -10.6612 -10.6612 -9.6532 -9.6532 -9.6264 -9.6264 -9.6264 -9.6264 1.5286 1.5286 8.4546 8.4546 8.6297 8.6297 8.6297 8.6297 8.9379 8.9379 8.9379 8.9379 9.6701 9.6701 9.6916 9.6916 9.6916 9.6916 13.1455 13.1455 13.1455 13.1455 13.9674 13.9674 17.7013 17.7013 k = 0.0111 0.0064 0.0045 ( 2265 PWs) bands (ev): -10.6616 -10.6612 -10.6612 -10.6609 -9.6532 -9.6532 -9.6267 -9.6263 -9.6263 -9.6259 1.5302 1.5302 8.4524 8.4524 8.6203 8.6277 8.6277 8.6337 8.9313 8.9410 8.9410 8.9509 9.6692 9.6692 9.6898 9.6901 9.6901 9.6948 13.1430 13.1438 13.1438 13.1447 13.9735 13.9735 17.7017 17.7017 k = 0.0222 0.0128 0.0091 ( 2265 PWs) bands (ev): -10.6619 -10.6612 -10.6612 -10.6605 -9.6532 -9.6532 -9.6271 -9.6263 -9.6263 -9.6255 1.5348 1.5348 8.4459 8.4459 8.6067 8.6218 8.6218 8.6318 8.9318 8.9502 8.9502 8.9693 9.6652 9.6652 9.6868 9.6868 9.6892 9.6991 13.1372 13.1386 13.1386 13.1407 13.9917 13.9917 17.7024 17.7024 k = 0.0333 0.0192 0.0136 ( 2259 PWs) bands (ev): -10.6622 -10.6613 -10.6613 -10.6602 -9.6533 -9.6533 -9.6275 -9.6263 -9.6263 -9.6251 1.5426 1.5426 8.4356 8.4356 8.5901 8.6120 8.6120 8.6244 8.9389 8.9648 8.9648 8.9918 9.6557 9.6557 9.6845 9.6845 9.6899 9.7049 13.1283 13.1301 13.1301 13.1334 14.0217 14.0217 17.7020 17.7020 k = 0.0444 0.0257 0.0181 ( 2259 PWs) bands (ev): -10.6626 -10.6613 -10.6613 -10.6599 -9.6533 -9.6533 -9.6278 -9.6263 -9.6263 -9.6247 1.5534 1.5534 8.4218 8.4218 8.5715 8.5987 8.5987 8.6124 8.9514 8.9840 8.9840 9.0172 9.6400 9.6400 9.6844 9.6844 9.6920 9.7120 13.1162 13.1184 13.1184 13.1231 14.0630 14.0630 17.6981 17.6981 k = 0.0556 0.0321 0.0227 ( 2259 PWs) bands (ev): -10.6629 -10.6614 -10.6614 -10.6595 -9.6534 -9.6534 -9.6282 -9.6263 -9.6263 -9.6243 1.5673 1.5673 8.4051 8.4051 8.5517 8.5819 8.5819 8.5970 8.9681 9.0069 9.0069 9.0447 9.6195 9.6195 9.6860 9.6860 9.6955 9.7207 13.1014 13.1037 13.1037 13.1099 14.1149 14.1149 17.6874 17.6874 k = 0.0667 0.0385 0.0272 ( 2265 PWs) bands (ev): -10.6632 -10.6615 -10.6615 -10.6592 -9.6535 -9.6535 -9.6285 -9.6264 -9.6264 -9.6238 1.5842 1.5842 8.3859 8.3859 8.5313 8.5617 8.5617 8.5794 8.9876 9.0325 9.0325 9.0732 9.5955 9.5955 9.6888 9.6888 9.7009 9.7311 13.0838 13.0862 13.0862 13.0939 14.1765 14.1765 17.6667 17.6667 k = 0.0778 0.0449 0.0318 ( 2271 PWs) bands (ev): -10.6635 -10.6616 -10.6616 -10.6589 -9.6536 -9.6536 -9.6289 -9.6264 -9.6264 -9.6235 1.6041 1.6041 8.3644 8.3644 8.5106 8.5385 8.5385 8.5604 9.0087 9.0602 9.0602 9.1023 9.5689 9.5689 9.6929 9.6929 9.7081 9.7435 13.0638 13.0661 13.0661 13.0755 14.2470 14.2470 17.6337 17.6337 k = 0.0889 0.0513 0.0363 ( 2280 PWs) bands (ev): -10.6638 -10.6618 -10.6618 -10.6586 -9.6538 -9.6538 -9.6292 -9.6264 -9.6264 -9.6231 1.6270 1.6270 8.3406 8.3406 8.4902 8.5125 8.5125 8.5409 9.0306 9.0890 9.0890 9.1311 9.5408 9.5408 9.6984 9.6984 9.7177 9.7579 13.0417 13.0438 13.0438 13.0549 14.3252 14.3252 17.5870 17.5870 k = 0.1000 0.0577 0.0408 ( 2283 PWs) bands (ev): -10.6641 -10.6619 -10.6619 -10.6583 -9.6539 -9.6539 -9.6295 -9.6264 -9.6264 -9.6227 1.6528 1.6528 8.3142 8.3142 8.4700 8.4842 8.4842 8.5211 9.0525 9.1184 9.1184 9.1591 9.5121 9.5121 9.7055 9.7055 9.7298 9.7747 13.0178 13.0195 13.0195 13.0323 14.4100 14.4100 17.5249 17.5249 k = 0.1111 0.0642 0.0454 ( 2289 PWs) bands (ev): -10.6643 -10.6621 -10.6621 -10.6580 -9.6541 -9.6541 -9.6297 -9.6264 -9.6264 -9.6223 1.6814 1.6814 8.2848 8.2848 8.4504 8.4545 8.4545 8.5015 9.0738 9.1473 9.1473 9.1857 9.4835 9.4835 9.7148 9.7148 9.7449 9.7940 12.9923 12.9935 12.9935 13.0082 14.5001 14.5001 17.4443 17.4443 k = 0.1222 0.0706 0.0499 ( 2277 PWs) bands (ev): -10.6645 -10.6622 -10.6622 -10.6578 -9.6542 -9.6542 -9.6299 -9.6264 -9.6264 -9.6219 1.7130 1.7130 8.2514 8.2514 8.4245 8.4245 8.4314 8.4824 9.0941 9.1752 9.1752 9.2105 9.4558 9.4558 9.7266 9.7266 9.7634 9.8161 12.9656 12.9663 12.9663 12.9828 14.5941 14.5941 17.3410 17.3410 k = 0.1333 0.0770 0.0544 ( 2286 PWs) bands (ev): -10.6648 -10.6624 -10.6624 -10.6575 -9.6544 -9.6544 -9.6301 -9.6265 -9.6265 -9.6216 1.7472 1.7472 8.2134 8.2134 8.3952 8.3952 8.4131 8.4637 9.1130 9.2009 9.2009 9.2328 9.4298 9.4298 9.7412 9.7412 9.7854 9.8409 12.9380 12.9381 12.9381 12.9564 14.6906 14.6906 17.2124 17.2124 k = 0.1444 0.0834 0.0590 ( 2283 PWs) bands (ev): -10.6650 -10.6626 -10.6626 -10.6573 -9.6546 -9.6546 -9.6303 -9.6265 -9.6265 -9.6212 1.7842 1.7842 8.1699 8.1699 8.3677 8.3677 8.3956 8.4458 9.1303 9.2236 9.2236 9.2524 9.4061 9.4061 9.7593 9.7593 9.8112 9.8686 12.9093 12.9093 12.9099 12.9294 14.7879 14.7879 17.0605 17.0605 k = 0.1556 0.0898 0.0635 ( 2274 PWs) bands (ev): -10.6652 -10.6627 -10.6627 -10.6570 -9.6547 -9.6547 -9.6304 -9.6265 -9.6265 -9.6208 1.8237 1.8237 8.1210 8.1210 8.3424 8.3424 8.3789 8.4286 9.1458 9.2420 9.2420 9.2691 9.3857 9.3857 9.7812 9.7812 9.8409 9.8992 12.8802 12.8802 12.8815 12.9022 14.8843 14.8843 16.8913 16.8913 k = 0.1667 0.0962 0.0680 ( 2274 PWs) bands (ev): -10.6653 -10.6629 -10.6629 -10.6568 -9.6549 -9.6549 -9.6305 -9.6265 -9.6265 -9.6205 1.8658 1.8658 8.0668 8.0668 8.3196 8.3196 8.3631 8.4122 9.1593 9.2547 9.2547 9.2829 9.3698 9.3698 9.8071 9.8071 9.8743 9.9326 12.8512 12.8512 12.8534 12.8749 14.9778 14.9778 16.7111 16.7111 k = 0.1778 0.1026 0.0726 ( 2274 PWs) bands (ev): -10.6654 -10.6631 -10.6631 -10.6567 -9.6551 -9.6551 -9.6306 -9.6266 -9.6266 -9.6202 1.9104 1.9104 8.0078 8.0078 8.2990 8.2990 8.3481 8.3966 9.1708 9.2603 9.2603 9.2937 9.3596 9.3596 9.8371 9.8371 9.9112 9.9688 12.8225 12.8225 12.8256 12.8481 15.0662 15.0662 16.5251 16.5251 k = 0.1889 0.1091 0.0771 ( 2274 PWs) bands (ev): -10.6656 -10.6634 -10.6634 -10.6565 -9.6553 -9.6553 -9.6306 -9.6266 -9.6266 -9.6200 1.9572 1.9572 7.9449 7.9449 8.2805 8.2805 8.3341 8.3818 9.1803 9.2588 9.2588 9.3017 9.3550 9.3550 9.8712 9.8712 9.9513 10.0075 12.7946 12.7946 12.7987 12.8220 15.1469 15.1469 16.3377 16.3377 k = 0.2000 0.1155 0.0816 ( 2283 PWs) bands (ev): -10.6657 -10.6636 -10.6636 -10.6564 -9.6556 -9.6556 -9.6307 -9.6266 -9.6266 -9.6197 2.0063 2.0063 7.8787 7.8787 8.2637 8.2637 8.3209 8.3679 9.1880 9.2521 9.2521 9.3073 9.3542 9.3542 9.9091 9.9091 9.9942 10.0484 12.7676 12.7676 12.7729 12.7970 15.2164 15.2164 16.1531 16.1531 k = 0.2111 0.1219 0.0862 ( 2274 PWs) bands (ev): -10.6657 -10.6638 -10.6638 -10.6562 -9.6558 -9.6558 -9.6307 -9.6267 -9.6267 -9.6195 2.0574 2.0574 7.8099 7.8099 8.2485 8.2485 8.3087 8.3549 9.1939 9.2429 9.2429 9.3106 9.3549 9.3549 9.9504 9.9504 10.0395 10.0914 12.7421 12.7421 12.7486 12.7733 15.2693 15.2693 15.9769 15.9769 k = 0.2222 0.1283 0.0907 ( 2274 PWs) bands (ev): -10.6658 -10.6641 -10.6641 -10.6561 -9.6560 -9.6560 -9.6306 -9.6267 -9.6267 -9.6193 2.1105 2.1105 7.7389 7.7389 8.2346 8.2346 8.2973 8.3427 9.1983 9.2330 9.2330 9.3120 9.3555 9.3555 9.9945 9.9945 10.0867 10.1361 12.7181 12.7181 12.7261 12.7514 15.2949 15.2949 15.8201 15.8201 k = 0.2333 0.1347 0.0953 ( 2274 PWs) bands (ev): -10.6658 -10.6643 -10.6643 -10.6561 -9.6562 -9.6562 -9.6306 -9.6267 -9.6267 -9.6191 2.1655 2.1655 7.6664 7.6664 8.2220 8.2220 8.2868 8.3314 9.2011 9.2233 9.2233 9.3116 9.3552 9.3552 10.0410 10.0410 10.1354 10.1821 12.6961 12.6961 12.7057 12.7314 15.2721 15.2721 15.7042 15.7042 k = 0.2444 0.1411 0.0998 ( 2277 PWs) bands (ev): -10.6658 -10.6646 -10.6646 -10.6560 -9.6565 -9.6565 -9.6305 -9.6268 -9.6268 -9.6190 2.2220 2.2220 7.5927 7.5927 8.2105 8.2105 8.2772 8.3208 9.2026 9.2143 9.2143 9.3096 9.3538 9.3538 10.0894 10.0894 10.1852 10.2291 12.6763 12.6763 12.6876 12.7138 15.1833 15.1833 15.6472 15.6472 k = 0.2556 0.1475 0.1043 ( 2271 PWs) bands (ev): -10.6658 -10.6648 -10.6648 -10.6560 -9.6567 -9.6567 -9.6303 -9.6268 -9.6268 -9.6189 2.2800 2.2800 7.5183 7.5183 8.2001 8.2001 8.2684 8.3111 9.2029 9.2064 9.2064 9.3064 9.3513 9.3513 10.1391 10.1391 10.2357 10.2768 12.6590 12.6590 12.6724 12.6988 15.0464 15.0464 15.6323 15.6323 k = 0.2667 0.1540 0.1089 ( 2277 PWs) bands (ev): -10.6657 -10.6651 -10.6651 -10.6560 -9.6569 -9.6569 -9.6302 -9.6269 -9.6269 -9.6188 2.3393 2.3393 7.4435 7.4435 8.1907 8.1907 8.2604 8.3022 9.1995 9.1995 9.2023 9.3020 9.3478 9.3478 10.1897 10.1897 10.2863 10.3247 12.6445 12.6445 12.6600 12.6867 14.8891 14.8891 15.6333 15.6333 k = 0.2778 0.1604 0.1134 ( 2283 PWs) bands (ev): -10.6656 -10.6653 -10.6653 -10.6560 -9.6571 -9.6571 -9.6300 -9.6270 -9.6270 -9.6187 2.3996 2.3996 7.3688 7.3688 8.1822 8.1822 8.2533 8.2940 9.1936 9.1936 9.2007 9.2967 9.3435 9.3435 10.2407 10.2407 10.3368 10.3725 12.6331 12.6331 12.6510 12.6778 14.7254 14.7254 15.6373 15.6373 k = 0.2889 0.1668 0.1179 ( 2271 PWs) bands (ev): -10.6656 -10.6656 -10.6655 -10.6560 -9.6573 -9.6573 -9.6298 -9.6270 -9.6270 -9.6187 2.4608 2.4608 7.2944 7.2944 8.1745 8.1745 8.2469 8.2865 9.1889 9.1889 9.1985 9.2906 9.3385 9.3385 10.2917 10.2917 10.3867 10.4199 12.6249 12.6249 12.6456 12.6724 14.5615 14.5615 15.6398 15.6398 k = 0.3000 0.1732 0.1225 ( 2271 PWs) bands (ev): -10.6658 -10.6658 -10.6654 -10.6561 -9.6575 -9.6575 -9.6296 -9.6271 -9.6271 -9.6187 2.5225 2.5225 7.2206 7.2206 8.1677 8.1677 8.2413 8.2796 9.1853 9.1853 9.1956 9.2838 9.3330 9.3330 10.3423 10.3423 10.4357 10.4663 12.6203 12.6203 12.6439 12.6706 14.4000 14.4000 15.6395 15.6395 k = 0.3111 0.1796 0.1270 ( 2271 PWs) bands (ev): -10.6660 -10.6660 -10.6653 -10.6562 -9.6577 -9.6577 -9.6294 -9.6271 -9.6271 -9.6187 2.5845 2.5845 7.1477 7.1477 8.1616 8.1616 8.2364 8.2734 9.1826 9.1826 9.1922 9.2764 9.3272 9.3272 10.3920 10.3920 10.4833 10.5116 12.6194 12.6194 12.6462 12.6727 14.2428 14.2428 15.6361 15.6361 k = 0.3222 0.1860 0.1315 ( 2271 PWs) bands (ev): -10.6662 -10.6662 -10.6651 -10.6563 -9.6579 -9.6579 -9.6291 -9.6272 -9.6272 -9.6188 2.6466 2.6466 7.0760 7.0760 8.1562 8.1562 8.2322 8.2678 9.1807 9.1807 9.1885 9.2686 9.3212 9.3212 10.4404 10.4404 10.5292 10.5553 12.6224 12.6224 12.6527 12.6789 14.0906 14.0906 15.6296 15.6296 k = 0.3333 0.1925 0.1361 ( 2265 PWs) bands (ev): -10.6664 -10.6664 -10.6649 -10.6564 -9.6580 -9.6580 -9.6288 -9.6272 -9.6272 -9.6189 2.7083 2.7083 7.0058 7.0058 8.1514 8.1514 8.2286 8.2628 9.1797 9.1797 9.1845 9.2605 9.3152 9.3152 10.4871 10.4871 10.5731 10.5970 12.6294 12.6294 12.6635 12.6892 13.9443 13.9443 15.6200 15.6200 k = 0.3444 0.1989 0.1406 ( 2271 PWs) bands (ev): -10.6667 -10.6667 -10.6647 -10.6566 -9.6582 -9.6582 -9.6285 -9.6273 -9.6273 -9.6190 2.7693 2.7693 6.9374 6.9374 8.1473 8.1473 8.2256 8.2582 9.1792 9.1792 9.1804 9.2520 9.3093 9.3093 10.5319 10.5319 10.6147 10.6366 12.6404 12.6404 12.6785 12.7037 13.8046 13.8046 15.6061 15.6061 k = 0.3556 0.2053 0.1452 ( 2271 PWs) bands (ev): -10.6668 -10.6668 -10.6645 -10.6568 -9.6584 -9.6584 -9.6282 -9.6274 -9.6274 -9.6191 2.8292 2.8292 6.8712 6.8712 8.1437 8.1437 8.2232 8.2541 9.1762 9.1793 9.1793 9.2435 9.3038 9.3038 10.5743 10.5743 10.6538 10.6736 12.6555 12.6555 12.6977 12.7222 13.6719 13.6719 15.5840 15.5840 k = 0.3667 0.2117 0.1497 ( 2271 PWs) bands (ev): -10.6670 -10.6670 -10.6643 -10.6570 -9.6585 -9.6585 -9.6278 -9.6274 -9.6274 -9.6193 2.8877 2.8877 6.8074 6.8074 8.1406 8.1406 8.2214 8.2505 9.1722 9.1796 9.1796 9.2349 9.2988 9.2988 10.6142 10.6142 10.6900 10.7081 12.6744 12.6744 12.7209 12.7446 13.5469 13.5469 15.5403 15.5403 k = 0.3778 0.2181 0.1542 ( 2283 PWs) bands (ev): -10.6672 -10.6672 -10.6640 -10.6572 -9.6587 -9.6587 -9.6275 -9.6275 -9.6275 -9.6195 2.9442 2.9442 6.7465 6.7465 8.1379 8.1379 8.2199 8.2471 9.1682 9.1802 9.1802 9.2263 9.2943 9.2943 10.6511 10.6511 10.7233 10.7396 12.6969 12.6969 12.7479 12.7707 13.4301 13.4301 15.4609 15.4609 k = 0.3889 0.2245 0.1588 ( 2283 PWs) bands (ev): -10.6674 -10.6674 -10.6637 -10.6575 -9.6588 -9.6588 -9.6275 -9.6275 -9.6271 -9.6198 2.9984 2.9984 6.6887 6.6887 8.1357 8.1357 8.2190 8.2442 9.1646 9.1807 9.1807 9.2179 9.2906 9.2906 10.6851 10.6851 10.7537 10.7682 12.7226 12.7226 12.7781 12.7998 13.3220 13.3220 15.3622 15.3622 k = 0.4000 0.2309 0.1633 ( 2277 PWs) bands (ev): -10.6675 -10.6675 -10.6635 -10.6577 -9.6589 -9.6589 -9.6276 -9.6276 -9.6267 -9.6200 3.0496 3.0496 6.6345 6.6345 8.1339 8.1339 8.2185 8.2415 9.1613 9.1812 9.1812 9.2097 9.2878 9.2878 10.7158 10.7158 10.7809 10.7938 12.7505 12.7505 12.8109 12.8314 13.2232 13.2232 15.2606 15.2606 k = 0.4111 0.2374 0.1678 ( 2283 PWs) bands (ev): -10.6677 -10.6677 -10.6632 -10.6580 -9.6590 -9.6590 -9.6276 -9.6276 -9.6264 -9.6203 3.0975 3.0975 6.5844 6.5844 8.1324 8.1324 8.2183 8.2391 9.1584 9.1813 9.1813 9.2018 9.2858 9.2858 10.7433 10.7433 10.8051 10.8164 12.7796 12.7796 12.8457 12.8647 13.1348 13.1348 15.1620 15.1620 k = 0.4222 0.2438 0.1724 ( 2286 PWs) bands (ev): -10.6678 -10.6678 -10.6629 -10.6583 -9.6591 -9.6591 -9.6277 -9.6277 -9.6260 -9.6206 3.1414 3.1414 6.5387 6.5387 8.1311 8.1311 8.2184 8.2369 9.1561 9.1812 9.1812 9.1943 9.2847 9.2847 10.7675 10.7675 10.8262 10.8360 12.8079 12.8079 12.8813 12.8987 13.0581 13.0581 15.0689 15.0689 k = 0.4333 0.2502 0.1769 ( 2286 PWs) bands (ev): -10.6679 -10.6679 -10.6625 -10.6586 -9.6592 -9.6592 -9.6277 -9.6277 -9.6255 -9.6209 3.1809 3.1809 6.4979 6.4979 8.1302 8.1302 8.2188 8.2348 9.1543 9.1808 9.1808 9.1873 9.2842 9.2842 10.7883 10.7883 10.8443 10.8527 12.8309 12.8309 12.9167 12.9323 12.9968 12.9968 14.9832 14.9832 k = 0.4444 0.2566 0.1814 ( 2292 PWs) bands (ev): -10.6680 -10.6680 -10.6622 -10.6589 -9.6593 -9.6593 -9.6278 -9.6278 -9.6251 -9.6212 3.2154 3.2154 6.4625 6.4625 8.1294 8.1294 8.2194 8.2329 9.1530 9.1802 9.1802 9.1807 9.2843 9.2843 10.8058 10.8058 10.8596 10.8665 12.8385 12.8385 12.9506 12.9601 12.9601 12.9641 14.9066 14.9066 k = 0.4556 0.2630 0.1860 ( 2292 PWs) bands (ev): -10.6681 -10.6681 -10.6619 -10.6592 -9.6593 -9.6593 -9.6278 -9.6278 -9.6247 -9.6216 3.2443 3.2443 6.4328 6.4328 8.1288 8.1288 8.2202 8.2311 9.1525 9.1748 9.1796 9.1796 9.2847 9.2847 10.8201 10.8201 10.8720 10.8775 12.8222 12.8222 12.9554 12.9554 12.9815 12.9927 14.8406 14.8406 k = 0.4667 0.2694 0.1905 ( 2292 PWs) bands (ev): -10.6681 -10.6681 -10.6616 -10.6595 -9.6594 -9.6594 -9.6278 -9.6278 -9.6243 -9.6219 3.2674 3.2674 6.4093 6.4093 8.1284 8.1284 8.2212 8.2295 9.1527 9.1695 9.1789 9.1789 9.2853 9.2853 10.8311 10.8311 10.8817 10.8858 12.7957 12.7957 12.9675 12.9675 13.0080 13.0167 14.7869 14.7869 k = 0.4778 0.2758 0.1951 ( 2286 PWs) bands (ev): -10.6682 -10.6682 -10.6612 -10.6599 -9.6594 -9.6594 -9.6278 -9.6278 -9.6239 -9.6223 3.2841 3.2841 6.3923 6.3923 8.1281 8.1281 8.2224 8.2279 9.1537 9.1649 9.1784 9.1784 9.2859 9.2859 10.8389 10.8389 10.8888 10.8915 12.7727 12.7727 12.9815 12.9815 13.0287 13.0346 14.7472 14.7472 k = 0.4889 0.2823 0.1996 ( 2276 PWs) bands (ev): -10.6682 -10.6682 -10.6609 -10.6602 -9.6594 -9.6594 -9.6278 -9.6278 -9.6234 -9.6226 3.2943 3.2943 6.3819 6.3819 8.1280 8.1280 8.2237 8.2264 9.1554 9.1610 9.1781 9.1781 9.2863 9.2863 10.8436 10.8436 10.8933 10.8947 12.7579 12.7579 12.9914 12.9914 13.0422 13.0452 14.7228 14.7228 k = 0.5000 0.2887 0.2041 ( 2276 PWs) bands (ev): -10.6682 -10.6682 -10.6605 -10.6605 -9.6594 -9.6594 -9.6278 -9.6278 -9.6230 -9.6230 3.2977 3.2977 6.3785 6.3785 8.1279 8.1279 8.2250 8.2250 9.1578 9.1578 9.1780 9.1780 9.2865 9.2865 10.8452 10.8452 10.8953 10.8953 12.7528 12.7528 12.9949 12.9949 13.0478 13.0478 14.7145 14.7145 k = 0.5000 0.2887 0.2041 ( 2276 PWs) bands (ev): -10.6682 -10.6682 -10.6605 -10.6605 -9.6594 -9.6594 -9.6278 -9.6278 -9.6230 -9.6230 3.2977 3.2977 6.3785 6.3785 8.1279 8.1279 8.2250 8.2250 9.1578 9.1578 9.1780 9.1780 9.2865 9.2865 10.8452 10.8452 10.8953 10.8953 12.7528 12.7528 12.9949 12.9949 13.0478 13.0478 14.7145 14.7145 k = 0.5039 0.2774 0.2105 ( 2276 PWs) bands (ev): -10.6684 -10.6680 -10.6605 -10.6605 -9.6596 -9.6593 -9.6279 -9.6278 -9.6230 -9.6230 3.2975 3.2996 6.3783 6.3812 8.1275 8.1282 8.2250 8.2250 9.1580 9.1581 9.1757 9.1810 9.2846 9.2887 10.8435 10.8443 10.8939 10.8940 12.7452 12.7528 12.9902 12.9945 13.0457 13.0457 14.7147 14.7166 k = 0.5078 0.2661 0.2169 ( 2293 PWs) bands (ev): -10.6686 -10.6679 -10.6605 -10.6605 -9.6597 -9.6592 -9.6281 -9.6279 -9.6230 -9.6229 3.2989 3.3032 6.3808 6.3865 8.1267 8.1283 8.2248 8.2250 9.1583 9.1588 9.1743 9.1847 9.2831 9.2912 10.8385 10.8405 10.8903 10.8910 12.7294 12.7448 12.9803 12.9896 13.0395 13.0399 14.7170 14.7208 k = 0.5117 0.2548 0.2233 ( 2293 PWs) bands (ev): -10.6689 -10.6678 -10.6605 -10.6604 -9.6599 -9.6591 -9.6283 -9.6280 -9.6228 -9.6228 3.3020 3.3084 6.3858 6.3943 8.1253 8.1282 8.2247 8.2254 9.1587 9.1604 9.1743 9.1889 9.2821 9.2941 10.8288 10.8327 10.8859 10.8878 12.7046 12.7283 12.9657 12.9807 13.0302 13.0312 14.7214 14.7267 k = 0.5156 0.2436 0.2296 ( 2289 PWs) bands (ev): -10.6692 -10.6678 -10.6604 -10.6603 -9.6601 -9.6590 -9.6285 -9.6281 -9.6226 -9.6226 3.3066 3.3152 6.3935 6.4047 8.1232 8.1275 8.2248 8.2265 9.1589 9.1626 9.1758 9.1935 9.2816 9.2974 10.8134 10.8192 10.8823 10.8858 12.6701 12.7018 12.9476 12.9675 13.0199 13.0206 14.7272 14.7338 k = 0.5195 0.2323 0.2360 ( 2291 PWs) bands (ev): -10.6695 -10.6677 -10.6603 -10.6602 -9.6603 -9.6589 -9.6288 -9.6283 -9.6224 -9.6223 3.3129 3.3236 6.4037 6.4178 8.1197 8.1258 8.2256 8.2286 9.1588 9.1656 9.1785 9.1984 9.2817 9.3010 10.7921 10.7995 10.8804 10.8854 12.6257 12.6645 12.9270 12.9495 13.0093 13.0106 14.7339 14.7415 k = 0.5234 0.2210 0.2424 ( 2298 PWs) bands (ev): -10.6698 -10.6678 -10.6603 -10.6601 -9.6605 -9.6589 -9.6291 -9.6285 -9.6223 -9.6221 3.3207 3.3336 6.4165 6.4333 8.1147 8.1227 8.2273 8.2321 9.1587 9.1693 9.1824 9.2034 9.2825 9.3049 10.7654 10.7739 10.8802 10.8865 12.5716 12.6162 12.9043 12.9263 12.9984 13.0039 14.7408 14.7491 k = 0.5273 0.2097 0.2488 ( 2298 PWs) bands (ev): -10.6702 -10.6678 -10.6602 -10.6600 -9.6607 -9.6588 -9.6295 -9.6287 -9.6220 -9.6218 3.3300 3.3450 6.4320 6.4515 8.1078 8.1179 8.2305 8.2372 9.1587 9.1736 9.1872 9.2085 9.2842 9.3091 10.7341 10.7432 10.8812 10.8887 12.5087 12.5576 12.8792 12.8985 12.9892 13.0001 14.7472 14.7559 k = 0.5312 0.1985 0.2552 ( 2296 PWs) bands (ev): -10.6705 -10.6679 -10.6601 -10.6598 -9.6609 -9.6588 -9.6299 -9.6289 -9.6218 -9.6215 3.3407 3.3578 6.4500 6.4723 8.0991 8.1111 8.2353 8.2441 9.1589 9.1785 9.1929 9.2134 9.2870 9.3137 10.6989 10.7080 10.8833 10.8918 12.4381 12.4899 12.8513 12.8668 12.9822 12.9988 14.7522 14.7614 k = 0.5352 0.1872 0.2615 ( 2294 PWs) bands (ev): -10.6709 -10.6679 -10.6600 -10.6597 -9.6611 -9.6587 -9.6302 -9.6290 -9.6216 -9.6211 3.3528 3.3719 6.4707 6.4956 8.0884 8.1021 8.2419 8.2526 9.1593 9.1837 9.1992 9.2183 9.2910 9.3185 10.6602 10.6690 10.8861 10.8956 12.3613 12.4148 12.8207 12.8321 12.9775 12.9994 14.7551 14.7649 k = 0.5391 0.1759 0.2679 ( 2289 PWs) bands (ev): -10.6712 -10.6680 -10.6599 -10.6595 -9.6614 -9.6587 -9.6306 -9.6292 -9.6214 -9.6208 3.3661 3.3873 6.4940 6.5215 8.0760 8.0909 8.2502 8.2628 9.1599 9.1889 9.2061 9.2231 9.2963 9.3237 10.6186 10.6265 10.8896 10.9000 12.2796 12.3338 12.7875 12.7951 12.9750 13.0017 14.7553 14.7658 k = 0.5430 0.1646 0.2743 ( 2293 PWs) bands (ev): -10.6715 -10.6682 -10.6599 -10.6593 -9.6616 -9.6587 -9.6310 -9.6294 -9.6212 -9.6205 3.3806 3.4038 6.5200 6.5499 8.0619 8.0777 8.2601 8.2745 9.1606 9.1935 9.2135 9.2282 9.3031 9.3291 10.5744 10.5809 10.8938 10.9051 12.1943 12.2484 12.7522 12.7563 12.9742 13.0053 14.7523 14.7638 k = 0.5469 0.1534 0.2807 ( 2295 PWs) bands (ev): -10.6719 -10.6683 -10.6598 -10.6592 -9.6619 -9.6587 -9.6314 -9.6295 -9.6211 -9.6202 3.3962 3.4213 6.5486 6.5809 8.0462 8.0625 8.2715 8.2875 9.1615 9.1970 9.2214 9.2340 9.3112 9.3347 10.5280 10.5325 10.8985 10.9107 12.1067 12.1599 12.7153 12.7162 12.9749 13.0099 14.7455 14.7583 k = 0.5508 0.1421 0.2870 ( 2287 PWs) bands (ev): -10.6722 -10.6684 -10.6598 -10.6590 -9.6621 -9.6587 -9.6317 -9.6296 -9.6209 -9.6199 3.4127 3.4398 6.5798 6.6143 8.0291 8.0456 8.2842 8.3019 9.1623 9.1990 9.2298 9.2411 9.3207 9.3406 10.4797 10.4817 10.9038 10.9168 12.0179 12.0696 12.6753 12.6772 12.9767 13.0154 14.7348 14.7493 k = 0.5547 0.1308 0.2934 ( 2288 PWs) bands (ev): -10.6725 -10.6685 -10.6598 -10.6588 -9.6623 -9.6587 -9.6321 -9.6298 -9.6208 -9.6196 3.4301 3.4590 6.6136 6.6503 8.0107 8.0270 8.2982 8.3173 9.1631 9.1993 9.2384 9.2494 9.3312 9.3466 10.4286 10.4297 10.9096 10.9234 11.9290 11.9786 12.6339 12.6385 12.9794 13.0215 14.7200 14.7364 k = 0.5586 0.1195 0.2998 ( 2292 PWs) bands (ev): -10.6729 -10.6687 -10.6597 -10.6587 -9.6626 -9.6587 -9.6325 -9.6299 -9.6207 -9.6193 3.4482 3.4790 6.6500 6.6886 7.9912 8.0069 8.3132 8.3338 9.1636 9.1979 9.2474 9.2588 9.3428 9.3528 10.3736 10.3784 10.9158 10.9304 11.8410 11.8880 12.5926 12.5995 12.9827 13.0282 14.7010 14.7197 k = 0.5625 0.1083 0.3062 ( 2289 PWs) bands (ev): -10.6731 -10.6688 -10.6597 -10.6585 -9.6628 -9.6587 -9.6328 -9.6299 -9.6206 -9.6190 3.4669 3.4994 6.6889 6.7292 7.9707 7.9855 8.3293 8.3513 9.1638 9.1951 9.2565 9.2690 9.3552 9.3591 10.3168 10.3259 10.9225 10.9377 11.7550 11.7987 12.5517 12.5609 12.9864 13.0351 14.6781 14.6994 k = 0.5664 0.0970 0.3126 ( 2290 PWs) bands (ev): -10.6734 -10.6689 -10.6597 -10.6584 -9.6631 -9.6587 -9.6331 -9.6300 -9.6205 -9.6187 3.4860 3.5202 6.7303 6.7721 7.9493 7.9627 8.3462 8.3696 9.1633 9.1910 9.2657 9.2797 9.3655 9.3684 10.2586 10.2725 10.9295 10.9452 11.6715 11.7116 12.5116 12.5229 12.9904 13.0422 14.6515 14.6755 k = 0.5703 0.0857 0.3189 ( 2292 PWs) bands (ev): -10.6737 -10.6690 -10.6598 -10.6583 -9.6633 -9.6588 -9.6335 -9.6301 -9.6205 -9.6185 3.5054 3.5412 6.7741 6.8169 7.9272 7.9388 8.3640 8.3887 9.1622 9.1855 9.2750 9.2906 9.3719 9.3822 10.1994 10.2185 10.9367 10.9529 11.5914 11.6275 12.4727 12.4860 12.9943 13.0493 14.6218 14.6486 k = 0.5742 0.0744 0.3253 ( 2292 PWs) bands (ev): -10.6739 -10.6692 -10.6598 -10.6582 -9.6636 -9.6588 -9.6338 -9.6301 -9.6205 -9.6183 3.5250 3.5623 6.8202 6.8637 7.9046 7.9139 8.3824 8.4085 9.1601 9.1787 9.2842 9.3016 9.3782 9.3966 10.1395 10.1644 10.9440 10.9606 11.5153 11.5471 12.4355 12.4506 12.9981 13.0562 14.5895 14.6190 k = 0.5781 0.0631 0.3317 ( 2288 PWs) bands (ev): -10.6741 -10.6693 -10.6599 -10.6581 -9.6638 -9.6588 -9.6340 -9.6301 -9.6204 -9.6181 3.5446 3.5833 6.8683 6.9120 7.8818 7.8881 8.4015 8.4288 9.1568 9.1705 9.2933 9.3125 9.3844 9.4114 10.0796 10.1106 10.9513 10.9680 11.4435 11.4711 12.4002 12.4171 13.0015 13.0626 14.5551 14.5874 k = 0.5820 0.0519 0.3381 ( 2288 PWs) bands (ev): -10.6743 -10.6694 -10.6599 -10.6580 -9.6640 -9.6589 -9.6343 -9.6301 -9.6205 -9.6179 3.5640 3.6039 6.9184 6.9615 7.8589 7.8615 8.4212 8.4498 9.1520 9.1608 9.3021 9.3229 9.3903 9.4265 10.0203 10.0576 10.9582 10.9750 11.3765 11.3998 12.3675 12.3861 13.0042 13.0683 14.5195 14.5542 k = 0.5859 0.0406 0.3445 ( 2290 PWs) bands (ev): -10.6745 -10.6695 -10.6600 -10.6579 -9.6642 -9.6589 -9.6345 -9.6301 -9.6205 -9.6178 3.5831 3.6241 6.9700 7.0117 7.8343 7.8363 8.4413 8.4712 9.1455 9.1494 9.3106 9.3326 9.3958 9.4419 9.9624 10.0063 10.9646 10.9813 11.3145 11.3337 12.3376 12.3579 13.0061 13.0730 14.4833 14.5201 k = 0.5898 0.0293 0.3508 ( 2290 PWs) bands (ev): -10.6746 -10.6695 -10.6601 -10.6579 -9.6643 -9.6590 -9.6348 -9.6300 -9.6205 -9.6176 3.6017 3.6437 7.0227 7.0619 7.8069 7.8147 8.4619 8.4930 9.1365 9.1370 9.3187 9.3416 9.4009 9.4572 9.9068 9.9573 10.9702 10.9864 11.2575 11.2730 12.3110 12.3329 13.0068 13.0764 14.4472 14.4857 k = 0.5938 0.0180 0.3572 ( 2290 PWs) bands (ev): -10.6748 -10.6696 -10.6602 -10.6578 -9.6645 -9.6590 -9.6350 -9.6300 -9.6206 -9.6175 3.6195 3.6624 7.0758 7.1110 7.7797 7.7947 8.4828 8.5152 9.1218 9.1264 9.3263 9.3495 9.4054 9.4723 9.8546 9.9115 10.9746 10.9900 11.2055 11.2179 12.2883 12.3117 13.0063 13.0782 14.4122 14.4513 k = 0.5977 0.0068 0.3636 ( 2288 PWs) bands (ev): -10.6748 -10.6697 -10.6603 -10.6578 -9.6646 -9.6591 -9.6351 -9.6299 -9.6206 -9.6174 3.6365 3.6802 7.1285 7.1578 7.7533 7.7774 8.5041 8.5376 9.1054 9.1137 9.3333 9.3562 9.4092 9.4868 9.8069 9.8699 10.9774 10.9915 11.1584 11.1686 12.2697 12.2947 13.0041 13.0782 14.3788 14.4167 k = 0.6016-0.0045 0.3700 ( 2290 PWs) bands (ev): -10.6749 -10.6697 -10.6605 -10.6578 -9.6648 -9.6591 -9.6353 -9.6298 -9.6207 -9.6174 3.6525 3.6966 7.1792 7.2004 7.7291 7.7645 8.5256 8.5603 9.0876 9.0988 9.3396 9.3614 9.4122 9.5003 9.7647 9.8329 10.9782 10.9902 11.1162 11.1253 12.2559 12.2823 13.0002 13.0760 14.3478 14.3803 k = 0.6055-0.0158 0.3764 ( 2290 PWs) bands (ev): -10.6749 -10.6697 -10.6606 -10.6578 -9.6649 -9.6592 -9.6354 -9.6297 -9.6208 -9.6173 3.6671 3.7117 7.2257 7.2361 7.7090 7.7581 8.5473 8.5832 9.0687 9.0823 9.3452 9.3652 9.4144 9.5119 9.7294 9.8013 10.9764 10.9851 11.0786 11.0883 12.2472 12.2748 12.9945 13.0715 14.3194 14.3384 k = 0.6094-0.0271 0.3827 ( 2292 PWs) bands (ev): -10.6749 -10.6698 -10.6608 -10.6578 -9.6650 -9.6592 -9.6356 -9.6296 -9.6209 -9.6173 3.6804 3.7252 7.2623 7.2645 7.6960 7.7605 8.5691 8.6061 9.0493 9.0646 9.3499 9.3673 9.4157 9.5206 9.7023 9.7752 10.9714 10.9754 11.0457 11.0579 12.2439 12.2727 12.9868 13.0645 14.2892 14.2919 k = 0.6133-0.0383 0.3891 ( 2294 PWs) bands (ev): -10.6749 -10.6698 -10.6610 -10.6578 -9.6650 -9.6593 -9.6357 -9.6295 -9.6210 -9.6174 3.6920 3.7368 7.2767 7.2913 7.6942 7.7737 8.5911 8.6292 9.0301 9.0466 9.3538 9.3677 9.4163 9.5254 9.6844 9.7547 10.9605 10.9626 11.0174 11.0338 12.2464 12.2761 12.9773 13.0550 14.2355 14.2559 k = 0.6172-0.0496 0.3955 ( 2294 PWs) bands (ev): -10.6748 -10.6698 -10.6612 -10.6579 -9.6651 -9.6593 -9.6357 -9.6294 -9.6211 -9.6174 3.7018 3.7465 7.2782 7.3023 7.7072 7.7982 8.6130 8.6522 9.0121 9.0294 9.3566 9.3665 9.4162 9.5255 9.6761 9.7394 10.9419 10.9496 10.9935 11.0142 12.2546 12.2852 12.9662 13.0433 14.1800 14.2060 k = 0.6211-0.0609 0.4019 ( 2293 PWs) bands (ev): -10.6747 -10.6698 -10.6614 -10.6579 -9.6651 -9.6594 -9.6358 -9.6293 -9.6212 -9.6175 3.7096 3.7539 7.2679 7.2968 7.7352 7.8327 8.6350 8.6753 8.9963 9.0141 9.3585 9.3637 9.4157 9.5218 9.6762 9.7290 10.9216 10.9329 10.9730 10.9964 12.2687 12.3000 12.9538 13.0297 14.1242 14.1521 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.6184-0.0684 0.4190 ( 2292 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6579 -9.6651 -9.6594 -9.6358 -9.6292 -9.6213 -9.6175 3.7153 3.7592 7.2487 7.2787 7.7763 7.8756 8.6569 8.6982 8.9829 9.0018 9.3585 9.3591 9.4156 9.5158 9.6828 9.7229 10.8417 10.8596 11.0100 11.0315 12.2897 12.3219 12.9403 13.0141 14.0489 14.0828 k = 0.6118-0.0646 0.4297 ( 2292 PWs) bands (ev): -10.6747 -10.6697 -10.6617 -10.6578 -9.6651 -9.6594 -9.6359 -9.6291 -9.6213 -9.6175 3.7160 3.7600 7.2511 7.2827 7.7784 7.8784 8.6566 8.6980 8.9807 9.0017 9.3557 9.3576 9.4175 9.5162 9.6841 9.7233 10.7612 10.7806 11.0838 11.1047 12.2929 12.3265 12.9388 13.0121 14.0039 14.0437 k = 0.6053-0.0608 0.4405 ( 2286 PWs) bands (ev): -10.6747 -10.6697 -10.6619 -10.6576 -9.6651 -9.6594 -9.6360 -9.6289 -9.6214 -9.6174 3.7171 3.7613 7.2551 7.2892 7.7818 7.8831 8.6559 8.6976 8.9775 9.0014 9.3514 9.3555 9.4202 9.5169 9.6861 9.7239 10.6784 10.6990 11.1558 11.1765 12.2984 12.3342 12.9365 13.0089 13.9495 13.9932 k = 0.5987-0.0570 0.4512 ( 2284 PWs) bands (ev): -10.6748 -10.6696 -10.6621 -10.6574 -9.6651 -9.6594 -9.6362 -9.6288 -9.6215 -9.6173 3.7186 3.7632 7.2607 7.2981 7.7868 7.8899 8.6543 8.6966 8.9735 9.0006 9.3461 9.3527 9.4234 9.5178 9.6888 9.7246 10.5950 10.6169 11.2242 11.2452 12.3063 12.3450 12.9335 13.0046 13.8917 13.9380 k = 0.5921-0.0532 0.4620 ( 2282 PWs) bands (ev): -10.6749 -10.6695 -10.6624 -10.6571 -9.6651 -9.6594 -9.6364 -9.6285 -9.6216 -9.6173 3.7205 3.7655 7.2678 7.3093 7.7934 7.8988 8.6511 8.6949 8.9692 8.9994 9.3403 9.3495 9.4267 9.5186 9.6921 9.7253 10.5120 10.5355 11.2883 11.3096 12.3167 12.3590 12.9301 12.9995 13.8327 13.8808 k = 0.5855-0.0494 0.4727 ( 2284 PWs) bands (ev): -10.6750 -10.6694 -10.6627 -10.6569 -9.6652 -9.6595 -9.6366 -9.6283 -9.6217 -9.6172 3.7228 3.7682 7.2762 7.3226 7.8017 7.9099 8.6457 8.6921 8.9646 8.9977 9.3344 9.3459 9.4299 9.5195 9.6959 9.7258 10.4302 10.4555 11.3477 11.3694 12.3297 12.3762 12.9265 12.9937 13.7735 13.8229 k = 0.5789-0.0456 0.4835 ( 2284 PWs) bands (ev): -10.6751 -10.6693 -10.6630 -10.6566 -9.6652 -9.6595 -9.6368 -9.6281 -9.6218 -9.6170 3.7254 3.7714 7.2858 7.3377 7.8119 7.9235 8.6371 8.6878 8.9603 8.9957 9.3286 9.3423 9.4329 9.5203 9.7000 9.7260 10.3506 10.3779 11.4020 11.4239 12.3453 12.3965 12.9232 12.9878 13.7147 13.7649 k = 0.5724-0.0418 0.4942 ( 2275 PWs) bands (ev): -10.6752 -10.6692 -10.6633 -10.6564 -9.6652 -9.6595 -9.6370 -9.6278 -9.6219 -9.6169 3.7283 3.7748 7.2964 7.3543 7.8242 7.9397 8.6243 8.6814 8.9563 8.9936 9.3234 9.3388 9.4357 9.5210 9.7041 9.7255 10.2744 10.3038 11.4509 11.4729 12.3634 12.4196 12.9206 12.9821 13.6567 13.7073 k = 0.5658-0.0380 0.5049 ( 2280 PWs) bands (ev): -10.6753 -10.6690 -10.6636 -10.6561 -9.6653 -9.6595 -9.6372 -9.6276 -9.6221 -9.6168 3.7314 3.7785 7.3078 7.3722 7.8389 7.9586 8.6068 8.6722 8.9529 8.9915 9.3188 9.3355 9.4381 9.5215 9.7080 9.7239 10.2027 10.2339 11.4941 11.5163 12.3836 12.4454 12.9192 12.9771 13.5995 13.6502 k = 0.5592-0.0342 0.5157 ( 2280 PWs) bands (ev): -10.6754 -10.6689 -10.6638 -10.6559 -9.6653 -9.6595 -9.6374 -9.6273 -9.6222 -9.6167 3.7347 3.7824 7.3197 7.3910 7.8560 7.9805 8.5841 8.6594 8.9502 8.9896 9.3152 9.3328 9.4402 9.5221 9.7115 9.7207 10.1368 10.1693 11.5319 11.5541 12.4054 12.4731 12.9195 12.9735 13.5436 13.5940 k = 0.5526-0.0304 0.5264 ( 2278 PWs) bands (ev): -10.6755 -10.6688 -10.6641 -10.6557 -9.6654 -9.6595 -9.6376 -9.6271 -9.6224 -9.6166 3.7380 3.7863 7.3320 7.4103 7.8757 8.0053 8.5560 8.6419 8.9485 8.9878 9.3124 9.3306 9.4421 9.5227 9.7141 9.7152 10.0781 10.1110 11.5641 11.5864 12.4279 12.5019 12.9223 12.9718 13.4889 13.5387 k = 0.5461-0.0266 0.5372 ( 2280 PWs) bands (ev): -10.6756 -10.6686 -10.6644 -10.6555 -9.6654 -9.6596 -9.6377 -9.6269 -9.6225 -9.6165 3.7414 3.7902 7.3442 7.4297 7.8982 8.0332 8.5229 8.6191 8.9478 8.9859 9.3107 9.3291 9.4438 9.5233 9.7069 9.7155 10.0281 10.0599 11.5913 11.6137 12.4503 12.5308 12.9280 12.9728 13.4359 13.4846 k = 0.5395-0.0228 0.5479 ( 2281 PWs) bands (ev): -10.6757 -10.6685 -10.6646 -10.6553 -9.6655 -9.6596 -9.6379 -9.6266 -9.6227 -9.6164 3.7446 3.7940 7.3562 7.4488 7.9235 8.0642 8.4850 8.5907 8.9481 8.9837 9.3099 9.3283 9.4454 9.5243 9.6953 9.7154 9.9877 10.0168 11.6136 11.6362 12.4714 12.5585 12.9371 12.9773 13.3847 13.4320 k = 0.5329-0.0190 0.5587 ( 2281 PWs) bands (ev): -10.6758 -10.6684 -10.6648 -10.6552 -9.6655 -9.6596 -9.6380 -9.6265 -9.6228 -9.6163 3.7477 3.7976 7.3676 7.4670 7.9514 8.0981 8.4434 8.5568 8.9493 8.9812 9.3100 9.3280 9.4471 9.5257 9.6806 9.7136 9.9573 9.9820 11.6316 11.6545 12.4904 12.5838 12.9499 12.9856 13.3360 13.3815 k = 0.5263-0.0152 0.5694 ( 2281 PWs) bands (ev): -10.6759 -10.6683 -10.6649 -10.6551 -9.6655 -9.6596 -9.6381 -9.6263 -9.6229 -9.6162 3.7505 3.8009 7.3780 7.4838 7.9814 8.1346 8.3992 8.5180 8.9512 8.9782 9.3107 9.3280 9.4489 9.5278 9.6638 9.7103 9.9362 9.9556 11.6456 11.6689 12.5065 12.6053 12.9664 12.9978 13.2906 13.3336 k = 0.5197-0.0114 0.5801 ( 2274 PWs) bands (ev): -10.6760 -10.6682 -10.6650 -10.6550 -9.6656 -9.6596 -9.6382 -9.6262 -9.6230 -9.6161 3.7529 3.8036 7.3871 7.4985 8.0126 8.1733 8.3547 8.4757 8.9537 8.9748 9.3121 9.3277 9.4509 9.5309 9.6466 9.7061 9.9228 9.9367 11.6560 11.6798 12.5191 12.6223 12.9857 13.0128 13.2498 13.2896 k = 0.5132-0.0076 0.5909 ( 2268 PWs) bands (ev): -10.6760 -10.6681 -10.6651 -10.6549 -9.6656 -9.6596 -9.6383 -9.6261 -9.6230 -9.6161 3.7548 3.8058 7.3944 7.5104 8.0425 8.2128 8.3133 8.4320 8.9565 8.9711 9.3140 9.3270 9.4526 9.5346 9.6312 9.7020 9.9155 9.9243 11.6633 11.6874 12.5281 12.6344 13.0062 13.0282 13.2161 13.2518 k = 0.5066-0.0038 0.6016 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6230 -9.6160 3.7560 3.8072 7.3993 7.5185 8.0663 8.2491 8.2814 8.3921 8.9595 8.9674 9.3160 9.3258 9.4538 9.5383 9.6200 9.6989 9.9128 9.9170 11.6675 11.6920 12.5334 12.6414 13.0241 13.0393 13.1936 13.2242 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6160 3.7564 3.8077 7.4011 7.5215 8.0758 8.2672 8.2689 8.3723 8.9615 8.9650 9.3171 9.3250 9.4542 9.5399 9.6158 9.6978 9.9129 9.9140 11.6689 11.6935 12.5351 12.6437 13.0320 13.0427 13.1858 13.2137 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6652 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6231 -9.6160 3.7564 3.8077 7.4011 7.5215 8.0758 8.2672 8.2689 8.3723 8.9615 8.9650 9.3171 9.3250 9.4542 9.5399 9.6158 9.6978 9.9129 9.9140 11.6689 11.6935 12.5351 12.6437 13.0320 13.0427 13.1858 13.2137 k = 0.5000 0.0078 0.6013 ( 2268 PWs) bands (ev): -10.6761 -10.6681 -10.6651 -10.6549 -9.6656 -9.6596 -9.6383 -9.6260 -9.6230 -9.6160 3.7555 3.8068 7.4010 7.5210 8.0514 8.2300 8.2922 8.4077 8.9579 8.9686 9.3148 9.3270 9.4553 9.5444 9.6151 9.6966 9.9132 9.9189 11.6691 11.6936 12.5316 12.6392 13.0182 13.0348 13.2021 13.2342 k = 0.5000 0.0156 0.5903 ( 2268 PWs) bands (ev): -10.6760 -10.6682 -10.6650 -10.6549 -9.6656 -9.6596 -9.6383 -9.6261 -9.6229 -9.6161 3.7528 3.8040 7.4004 7.5193 7.9986 8.1650 8.3420 8.4666 8.9537 8.9734 9.3108 9.3300 9.4588 9.5572 9.6131 9.6934 9.9181 9.9293 11.6697 11.6936 12.5214 12.6262 12.9937 13.0135 13.2451 13.2819 k = 0.5000 0.0234 0.5793 ( 2274 PWs) bands (ev): -10.6760 -10.6683 -10.6649 -10.6550 -9.6655 -9.6596 -9.6382 -9.6263 -9.6227 -9.6161 3.7484 3.7993 7.3990 7.5153 7.9386 8.0968 8.3970 8.5238 8.9515 8.9786 9.3066 9.3322 9.4655 9.5773 9.6104 9.6893 9.9278 9.9443 11.6707 11.6936 12.5055 12.6063 12.9702 12.9900 13.3032 13.3427 k = 0.5000 0.0312 0.5682 ( 2274 PWs) bands (ev): -10.6760 -10.6684 -10.6646 -10.6550 -9.6655 -9.6595 -9.6381 -9.6266 -9.6225 -9.6162 3.7422 3.7928 7.3960 7.5073 7.8803 8.0305 8.4484 8.5733 8.9530 8.9852 9.3027 9.3332 9.4747 9.6017 9.6098 9.6864 9.9420 9.9635 11.6717 11.6932 12.4855 12.5819 12.9506 12.9700 13.3700 13.4111 k = 0.5000 0.0390 0.5572 ( 2272 PWs) bands (ev): -10.6759 -10.6685 -10.6644 -10.6551 -9.6654 -9.6595 -9.6380 -9.6268 -9.6223 -9.6162 3.7343 3.7846 7.3902 7.4925 7.8292 7.9688 8.4915 8.6117 8.9596 8.9947 9.2991 9.3330 9.4846 9.6026 9.6389 9.6881 9.9607 9.9865 11.6725 11.6922 12.4633 12.5556 12.9348 12.9549 13.4422 13.4844 k = 0.5000 0.0468 0.5462 ( 2274 PWs) bands (ev): -10.6759 -10.6686 -10.6641 -10.6552 -9.6654 -9.6595 -9.6378 -9.6271 -9.6221 -9.6163 3.7248 3.7747 7.3802 7.4679 7.7895 7.9142 8.5236 8.6375 8.9718 9.0084 9.2956 9.3321 9.4918 9.5982 9.6778 9.6991 9.9837 10.0131 11.6727 11.6904 12.4408 12.5298 12.9226 12.9441 13.5182 13.5612 k = 0.5000 0.0546 0.5351 ( 2274 PWs) bands (ev): -10.6758 -10.6688 -10.6638 -10.6553 -9.6653 -9.6594 -9.6377 -9.6273 -9.6218 -9.6164 3.7137 3.7632 7.3640 7.4317 7.7633 7.8692 8.5431 8.6511 8.9890 9.0264 9.2922 9.3309 9.4939 9.5915 9.7168 9.7282 10.0115 10.0431 11.6718 11.6878 12.4199 12.5068 12.9132 12.9367 13.5967 13.6404 k = 0.5000 0.0624 0.5241 ( 2278 PWs) bands (ev): -10.6757 -10.6689 -10.6635 -10.6554 -9.6652 -9.6594 -9.6375 -9.6276 -9.6216 -9.6165 3.7013 3.7501 7.3402 7.3854 7.7496 7.8357 8.5508 8.6542 9.0096 9.0471 9.2888 9.3297 9.4907 9.5823 9.7536 9.7767 10.0446 10.0768 11.6690 11.6847 12.4020 12.4882 12.9063 12.9317 13.6769 13.7211 k = 0.5000 0.0702 0.5131 ( 2276 PWs) bands (ev): -10.6756 -10.6690 -10.6632 -10.6555 -9.6651 -9.6593 -9.6373 -9.6278 -9.6214 -9.6167 3.6875 3.7356 7.3077 7.3324 7.7451 7.8151 8.5485 8.6491 9.0320 9.0685 9.2853 9.3286 9.4832 9.5710 9.7983 9.8304 10.0841 10.1146 11.6640 11.6816 12.3882 12.4750 12.9014 12.9284 13.7581 13.8026 k = 0.5000 0.0780 0.5020 ( 2274 PWs) bands (ev): -10.6755 -10.6690 -10.6629 -10.6556 -9.6649 -9.6593 -9.6370 -9.6281 -9.6212 -9.6168 3.6725 3.7199 7.2650 7.2779 7.7467 7.8070 8.5388 8.6376 9.0545 9.0888 9.2817 9.3278 9.4726 9.5583 9.8491 9.8853 10.1312 10.1569 11.6570 11.6787 12.3794 12.4678 12.8981 12.9264 13.8395 13.8843 k = 0.5000 0.0858 0.4910 ( 2274 PWs) bands (ev): -10.6754 -10.6691 -10.6626 -10.6558 -9.6648 -9.6592 -9.6367 -9.6283 -9.6210 -9.6170 3.6564 3.7029 7.2103 7.2277 7.7526 7.8094 8.5239 8.6215 9.0758 9.1068 9.2779 9.3272 9.4599 9.5445 9.9029 9.9389 10.1870 10.2044 11.6488 11.6760 12.3760 12.4668 12.8959 12.9254 13.9205 13.9656 k = 0.5000 0.0936 0.4800 ( 2274 PWs) bands (ev): -10.6752 -10.6691 -10.6623 -10.6559 -9.6647 -9.6591 -9.6364 -9.6285 -9.6208 -9.6171 3.6394 3.6849 7.1513 7.1772 7.7623 7.8194 8.5055 8.6021 9.0951 9.1223 9.2739 9.3267 9.4457 9.5301 9.9573 9.9900 10.2511 10.2575 11.6405 11.6741 12.3781 12.4718 12.8948 12.9250 14.0006 14.0460 k = 0.5000 0.1014 0.4689 ( 2280 PWs) bands (ev): -10.6751 -10.6691 -10.6620 -10.6561 -9.6645 -9.6591 -9.6362 -9.6287 -9.6207 -9.6173 3.6216 3.6660 7.0923 7.1249 7.7754 7.8344 8.4849 8.5803 9.1119 9.1354 9.2697 9.3263 9.4304 9.5151 10.0101 10.0382 10.3157 10.3223 11.6333 11.6738 12.3856 12.4823 12.8945 12.9253 14.0792 14.1249 k = 0.5000 0.1092 0.4579 ( 2282 PWs) bands (ev): -10.6749 -10.6691 -10.6618 -10.6563 -9.6643 -9.6591 -9.6358 -9.6289 -9.6205 -9.6175 3.6030 3.6463 7.0345 7.0718 7.7914 7.8528 8.4629 8.5571 9.1261 9.1464 9.2654 9.3259 9.4144 9.4997 10.0602 10.0845 10.3785 10.3977 11.6288 11.6762 12.3982 12.4977 12.8948 12.9260 14.1558 14.2017 k = 0.5000 0.1170 0.4469 ( 2282 PWs) bands (ev): -10.6747 -10.6691 -10.6615 -10.6565 -9.6641 -9.6590 -9.6355 -9.6291 -9.6204 -9.6177 3.5840 3.6260 6.9784 7.0187 7.8099 7.8733 8.4403 8.5329 9.1374 9.1560 9.2609 9.3253 9.3978 9.4841 10.1073 10.1299 10.4439 10.4745 11.6284 11.6826 12.4154 12.5174 12.8956 12.9271 14.2298 14.2760 k = 0.5000 0.1248 0.4358 ( 2282 PWs) bands (ev): -10.6745 -10.6691 -10.6613 -10.6567 -9.6639 -9.6589 -9.6351 -9.6292 -9.6204 -9.6179 3.5645 3.6052 6.9242 6.9664 7.8302 7.8952 8.4175 8.5083 9.1460 9.1645 9.2563 9.3245 9.3809 9.4683 10.1521 10.1749 10.5097 10.5499 11.6339 11.6947 12.4366 12.5406 12.8969 12.9285 14.3006 14.3472 k = 0.5000 0.1326 0.4248 ( 2280 PWs) bands (ev): -10.6743 -10.6690 -10.6611 -10.6569 -9.6637 -9.6589 -9.6348 -9.6293 -9.6203 -9.6182 3.5448 3.5840 6.8723 6.9153 7.8518 7.9179 8.3949 8.4837 9.1520 9.1722 9.2518 9.3233 9.3640 9.4525 10.1954 10.2194 10.5734 10.6211 11.6471 11.7141 12.4613 12.5669 12.8986 12.9301 14.3679 14.4148 k = 0.5000 0.1404 0.4138 ( 2286 PWs) bands (ev): -10.6740 -10.6690 -10.6609 -10.6572 -9.6635 -9.6589 -9.6344 -9.6294 -9.6203 -9.6184 3.5251 3.5627 6.8228 6.8658 7.8742 7.9409 8.3728 8.4592 9.1562 9.1788 9.2473 9.3216 9.3471 9.4368 10.2380 10.2636 10.6326 10.6856 11.6696 11.7420 12.4889 12.5955 12.9006 12.9320 14.4309 14.4784 k = 0.5000 0.1482 0.4027 ( 2286 PWs) bands (ev): -10.6738 -10.6689 -10.6607 -10.6574 -9.6633 -9.6588 -9.6340 -9.6295 -9.6203 -9.6187 3.5053 3.5414 6.7757 6.8182 7.8971 7.9639 8.3516 8.4353 9.1589 9.1843 9.2430 9.3186 9.3313 9.4214 10.2806 10.3076 10.6856 10.7416 11.7030 11.7795 12.5189 12.6259 12.9029 12.9341 14.4892 14.5373 k = 0.5000 0.1560 0.3917 ( 2282 PWs) bands (ev): -10.6735 -10.6688 -10.6605 -10.6576 -9.6630 -9.6588 -9.6336 -9.6295 -9.6203 -9.6189 3.4858 3.5202 6.7313 6.7727 7.9200 7.9864 8.3313 8.4120 9.1605 9.1885 9.2390 9.3099 9.3210 9.4063 10.3233 10.3514 10.7310 10.7878 11.7476 11.8271 12.5508 12.6575 12.9055 12.9365 14.5423 14.5910 k = 0.5000 0.1638 0.3807 ( 2288 PWs) bands (ev): -10.6732 -10.6687 -10.6604 -10.6579 -9.6628 -9.6587 -9.6332 -9.6296 -9.6204 -9.6192 3.4666 3.4993 6.6894 6.7295 7.9428 8.0082 8.3122 8.3896 9.1614 9.1913 9.2353 9.2951 9.3168 9.3919 10.3663 10.3951 10.7683 10.8241 11.8033 11.8843 12.5840 12.6900 12.9083 12.9391 14.5896 14.6389 k = 0.5000 0.1716 0.3696 ( 2290 PWs) bands (ev): -10.6729 -10.6686 -10.6603 -10.6581 -9.6626 -9.6587 -9.6328 -9.6296 -9.6205 -9.6195 3.4479 3.4788 6.6501 6.6886 7.9652 8.0290 8.2944 8.3682 9.1617 9.1927 9.2322 9.2798 9.3132 9.3782 10.4094 10.4386 10.7978 10.8511 11.8688 11.9501 12.6181 12.7228 12.9115 12.9420 14.6307 14.6803 k = 0.5000 0.1794 0.3586 ( 2290 PWs) bands (ev): -10.6726 -10.6685 -10.6603 -10.6584 -9.6623 -9.6587 -9.6324 -9.6295 -9.6206 -9.6198 3.4298 3.4588 6.6135 6.6501 7.9868 8.0485 8.2782 8.3479 9.1616 9.1927 9.2295 9.2650 9.3095 9.3655 10.4527 10.4818 10.8204 10.8702 11.9424 12.0230 12.6528 12.7554 12.9151 12.9451 14.6653 14.7144 k = 0.5000 0.1872 0.3476 ( 2286 PWs) bands (ev): -10.6722 -10.6683 -10.6602 -10.6586 -9.6621 -9.6587 -9.6319 -9.6294 -9.6207 -9.6200 3.4125 3.4396 6.5796 6.6141 8.0075 8.0664 8.2636 8.3288 9.1613 9.1915 9.2273 9.2510 9.3055 9.3540 10.4959 10.5246 10.8370 10.8827 12.0219 12.1009 12.6875 12.7875 12.9191 12.9486 14.6932 14.7408 k = 0.5000 0.1951 0.3365 ( 2296 PWs) bands (ev): -10.6719 -10.6682 -10.6602 -10.6588 -9.6618 -9.6587 -9.6315 -9.6294 -9.6209 -9.6203 3.3959 3.4211 6.5483 6.5806 8.0270 8.0824 8.2509 8.3110 9.1608 9.1892 9.2250 9.2378 9.3012 9.3436 10.5386 10.5666 10.8489 10.8903 12.1050 12.1818 12.7219 12.8185 12.9237 12.9526 14.7144 14.7591 k = 0.5000 0.2029 0.3255 ( 2298 PWs) bands (ev): -10.6716 -10.6681 -10.6602 -10.6591 -9.6616 -9.6587 -9.6311 -9.6293 -9.6211 -9.6206 3.3804 3.4036 6.5197 6.5496 8.0452 8.0962 8.2403 8.2946 9.1602 9.1862 9.2226 9.2257 9.2968 9.3347 10.5806 10.6076 10.8571 10.8943 12.1896 12.2636 12.7557 12.8479 12.9293 12.9572 14.7294 14.7698 k = 0.5000 0.2107 0.3145 ( 2296 PWs) bands (ev): -10.6712 -10.6680 -10.6602 -10.6593 -9.6614 -9.6587 -9.6307 -9.6291 -9.6213 -9.6209 3.3659 3.3871 6.4938 6.5212 8.0619 8.1076 8.2319 8.2798 9.1597 9.1828 9.2147 9.2199 9.2927 9.3270 10.6215 10.6472 10.8626 10.8956 12.2739 12.3444 12.7883 12.8750 12.9363 12.9626 14.7388 14.7738 k = 0.5000 0.2185 0.3034 ( 2298 PWs) bands (ev): -10.6709 -10.6679 -10.6602 -10.6595 -9.6611 -9.6587 -9.6303 -9.6290 -9.6215 -9.6213 3.3526 3.3717 6.4705 6.4953 8.0769 8.1164 8.2259 8.2666 9.1593 9.1792 9.2049 9.2164 9.2890 9.3204 10.6608 10.6848 10.8663 10.8952 12.3558 12.4222 12.8196 12.8988 12.9454 12.9689 14.7435 14.7726 k = 0.5000 0.2263 0.2924 ( 2300 PWs) bands (ev): -10.6705 -10.6679 -10.6602 -10.6597 -9.6609 -9.6588 -9.6299 -9.6288 -9.6218 -9.6216 3.3406 3.3576 6.4498 6.4720 8.0901 8.1225 8.2223 8.2551 9.1589 9.1754 9.1964 9.2124 9.2859 9.3146 10.6979 10.7199 10.8688 10.8937 12.4336 12.4950 12.8491 12.9184 12.9577 12.9765 14.7443 14.7676 k = 0.5000 0.2341 0.2814 ( 2302 PWs) bands (ev): -10.6702 -10.6678 -10.6603 -10.6599 -9.6607 -9.6588 -9.6295 -9.6287 -9.6220 -9.6218 3.3299 3.3449 6.4318 6.4513 8.1013 8.1262 8.2207 8.2455 9.1588 9.1717 9.1892 9.2079 9.2837 9.3096 10.7323 10.7519 10.8707 10.8918 12.5054 12.5610 12.8767 12.9339 12.9726 12.9857 14.7422 14.7602 k = 0.5000 0.2419 0.2703 ( 2300 PWs) bands (ev): -10.6698 -10.6678 -10.6603 -10.6601 -9.6605 -9.6589 -9.6292 -9.6285 -9.6222 -9.6221 3.3206 3.3335 6.4164 6.4332 8.1103 8.1280 8.2207 8.2378 9.1588 9.1683 9.1834 9.2031 9.2823 9.3051 10.7633 10.7801 10.8727 10.8898 12.5696 12.6184 12.9022 12.9470 12.9884 12.9966 14.7380 14.7516 k = 0.5000 0.2497 0.2593 ( 2296 PWs) bands (ev): -10.6695 -10.6677 -10.6604 -10.6602 -9.6603 -9.6589 -9.6288 -9.6283 -9.6224 -9.6224 3.3129 3.3236 6.4036 6.4177 8.1172 8.1287 8.2216 8.2322 9.1589 9.1651 9.1789 9.1982 9.2816 9.3010 10.7902 10.8036 10.8754 10.8884 12.6248 12.6657 12.9257 12.9593 13.0032 13.0089 14.7326 14.7427 k = 0.5000 0.2575 0.2483 ( 2296 PWs) bands (ev): -10.6692 -10.6678 -10.6604 -10.6604 -9.6601 -9.6590 -9.6285 -9.6281 -9.6226 -9.6226 3.3066 3.3152 6.3934 6.4047 8.1220 8.1288 8.2227 8.2284 9.1589 9.1624 9.1759 9.1934 9.2816 9.2974 10.8121 10.8215 10.8793 10.8879 12.6699 12.7023 12.9470 12.9710 13.0169 13.0211 14.7267 14.7342 k = 0.5000 0.2653 0.2372 ( 2294 PWs) bands (ev): -10.6689 -10.6678 -10.6605 -10.6604 -9.6599 -9.6591 -9.6283 -9.6280 -9.6228 -9.6228 3.3019 3.3084 6.3858 6.3943 8.1250 8.1286 8.2238 8.2263 9.1588 9.1603 9.1744 9.1888 9.2821 9.2941 10.8282 10.8336 10.8845 10.8890 12.7046 12.7284 12.9656 12.9815 13.0293 13.0318 14.7212 14.7268 k = 0.5000 0.2731 0.2262 ( 2292 PWs) bands (ev): -10.6686 -10.6679 -10.6605 -10.6605 -9.6597 -9.6592 -9.6281 -9.6279 -9.6230 -9.6229 3.2989 3.3032 6.3808 6.3864 8.1266 8.1284 8.2245 8.2253 9.1584 9.1588 9.1743 9.1847 9.2831 9.2912 10.8383 10.8407 10.8899 10.8914 12.7294 12.7449 12.9803 12.9898 13.0392 13.0402 14.7170 14.7208 k = 0.5000 0.2809 0.2152 ( 2276 PWs) bands (ev): -10.6684 -10.6680 -10.6605 -10.6605 -9.6596 -9.6593 -9.6279 -9.6278 -9.6230 -9.6230 3.2975 3.2996 6.3783 6.3812 8.1275 8.1282 8.2249 8.2250 9.1580 9.1580 9.1757 9.1810 9.2846 9.2887 10.8435 10.8443 10.8939 10.8941 12.7452 12.7528 12.9902 12.9945 13.0456 13.0458 14.7147 14.7166 k = 0.5000 0.2887 0.2041 ( 2276 PWs) bands (ev): -10.6682 -10.6682 -10.6605 -10.6605 -9.6594 -9.6594 -9.6278 -9.6278 -9.6230 -9.6230 3.2977 3.2977 6.3785 6.3785 8.1279 8.1279 8.2250 8.2250 9.1578 9.1578 9.1780 9.1780 9.2865 9.2865 10.8452 10.8452 10.8953 10.8953 12.7528 12.7528 12.9949 12.9949 13.0478 13.0478 14.7145 14.7145 k = 0.5000 0.2887 0.2041 ( 2276 PWs) bands (ev): -10.6682 -10.6682 -10.6605 -10.6605 -9.6594 -9.6594 -9.6278 -9.6278 -9.6230 -9.6230 3.2977 3.2977 6.3785 6.3785 8.1279 8.1279 8.2250 8.2250 9.1578 9.1578 9.1780 9.1780 9.2865 9.2865 10.8452 10.8452 10.8953 10.8953 12.7528 12.7528 12.9949 12.9949 13.0478 13.0478 14.7145 14.7145 k = 0.4961 0.2864 0.2169 ( 2276 PWs) bands (ev): -10.6684 -10.6680 -10.6605 -10.6605 -9.6596 -9.6593 -9.6279 -9.6278 -9.6230 -9.6230 3.2975 3.2996 6.3783 6.3812 8.1275 8.1282 8.2250 8.2250 9.1580 9.1581 9.1757 9.1810 9.2846 9.2887 10.8435 10.8443 10.8939 10.8940 12.7452 12.7528 12.9902 12.9945 13.0457 13.0457 14.7147 14.7166 k = 0.4922 0.2842 0.2296 ( 2293 PWs) bands (ev): -10.6686 -10.6679 -10.6605 -10.6605 -9.6597 -9.6592 -9.6281 -9.6279 -9.6230 -9.6229 3.2989 3.3032 6.3808 6.3865 8.1267 8.1283 8.2248 8.2250 9.1583 9.1588 9.1743 9.1847 9.2831 9.2912 10.8385 10.8405 10.8903 10.8910 12.7294 12.7448 12.9803 12.9896 13.0395 13.0399 14.7170 14.7208 k = 0.4883 0.2819 0.2424 ( 2293 PWs) bands (ev): -10.6689 -10.6678 -10.6605 -10.6604 -9.6599 -9.6591 -9.6283 -9.6280 -9.6228 -9.6228 3.3020 3.3084 6.3858 6.3943 8.1253 8.1282 8.2247 8.2254 9.1587 9.1604 9.1743 9.1889 9.2821 9.2941 10.8288 10.8327 10.8859 10.8878 12.7046 12.7283 12.9657 12.9807 13.0302 13.0312 14.7214 14.7267 k = 0.4844 0.2797 0.2552 ( 2289 PWs) bands (ev): -10.6692 -10.6678 -10.6604 -10.6603 -9.6601 -9.6590 -9.6285 -9.6281 -9.6226 -9.6226 3.3066 3.3152 6.3935 6.4047 8.1232 8.1275 8.2248 8.2265 9.1589 9.1626 9.1758 9.1935 9.2816 9.2974 10.8134 10.8192 10.8823 10.8858 12.6701 12.7018 12.9476 12.9675 13.0199 13.0206 14.7272 14.7338 k = 0.4805 0.2774 0.2679 ( 2291 PWs) bands (ev): -10.6695 -10.6677 -10.6603 -10.6602 -9.6603 -9.6589 -9.6288 -9.6283 -9.6224 -9.6223 3.3129 3.3236 6.4037 6.4178 8.1197 8.1258 8.2256 8.2286 9.1588 9.1656 9.1785 9.1984 9.2817 9.3010 10.7921 10.7995 10.8804 10.8854 12.6257 12.6645 12.9270 12.9495 13.0093 13.0106 14.7339 14.7415 k = 0.4766 0.2751 0.2807 ( 2298 PWs) bands (ev): -10.6698 -10.6678 -10.6603 -10.6601 -9.6605 -9.6589 -9.6291 -9.6285 -9.6223 -9.6221 3.3207 3.3336 6.4165 6.4333 8.1147 8.1227 8.2273 8.2321 9.1587 9.1693 9.1824 9.2034 9.2825 9.3049 10.7654 10.7739 10.8802 10.8865 12.5716 12.6162 12.9043 12.9263 12.9984 13.0039 14.7408 14.7491 k = 0.4727 0.2729 0.2934 ( 2298 PWs) bands (ev): -10.6702 -10.6678 -10.6602 -10.6600 -9.6607 -9.6588 -9.6295 -9.6287 -9.6220 -9.6218 3.3300 3.3450 6.4320 6.4515 8.1078 8.1179 8.2305 8.2372 9.1587 9.1736 9.1872 9.2085 9.2842 9.3091 10.7341 10.7432 10.8812 10.8887 12.5087 12.5576 12.8792 12.8985 12.9892 13.0001 14.7472 14.7559 k = 0.4688 0.2706 0.3062 ( 2296 PWs) bands (ev): -10.6705 -10.6679 -10.6601 -10.6598 -9.6609 -9.6588 -9.6299 -9.6289 -9.6218 -9.6215 3.3407 3.3578 6.4500 6.4723 8.0991 8.1111 8.2353 8.2441 9.1589 9.1785 9.1929 9.2134 9.2870 9.3137 10.6989 10.7080 10.8833 10.8918 12.4381 12.4899 12.8513 12.8668 12.9822 12.9988 14.7522 14.7614 k = 0.4648 0.2684 0.3189 ( 2294 PWs) bands (ev): -10.6709 -10.6679 -10.6600 -10.6597 -9.6611 -9.6587 -9.6302 -9.6290 -9.6216 -9.6211 3.3528 3.3719 6.4707 6.4956 8.0884 8.1021 8.2419 8.2526 9.1593 9.1837 9.1992 9.2183 9.2910 9.3185 10.6602 10.6690 10.8861 10.8956 12.3613 12.4148 12.8207 12.8321 12.9775 12.9994 14.7551 14.7649 k = 0.4609 0.2661 0.3317 ( 2289 PWs) bands (ev): -10.6712 -10.6680 -10.6599 -10.6595 -9.6614 -9.6587 -9.6306 -9.6292 -9.6214 -9.6208 3.3661 3.3873 6.4940 6.5215 8.0760 8.0909 8.2502 8.2628 9.1599 9.1889 9.2061 9.2231 9.2963 9.3237 10.6186 10.6265 10.8896 10.9000 12.2796 12.3338 12.7875 12.7951 12.9750 13.0017 14.7553 14.7658 k = 0.4570 0.2639 0.3445 ( 2293 PWs) bands (ev): -10.6715 -10.6682 -10.6599 -10.6593 -9.6616 -9.6587 -9.6310 -9.6294 -9.6212 -9.6205 3.3806 3.4038 6.5200 6.5499 8.0619 8.0777 8.2601 8.2745 9.1606 9.1935 9.2135 9.2282 9.3031 9.3291 10.5744 10.5809 10.8938 10.9051 12.1943 12.2484 12.7522 12.7563 12.9742 13.0053 14.7523 14.7638 k = 0.4531 0.2616 0.3572 ( 2295 PWs) bands (ev): -10.6719 -10.6683 -10.6598 -10.6592 -9.6619 -9.6587 -9.6314 -9.6295 -9.6211 -9.6202 3.3962 3.4213 6.5486 6.5809 8.0462 8.0625 8.2715 8.2875 9.1615 9.1970 9.2214 9.2340 9.3112 9.3347 10.5280 10.5325 10.8985 10.9107 12.1067 12.1599 12.7153 12.7162 12.9749 13.0099 14.7455 14.7584 k = 0.4492 0.2594 0.3700 ( 2287 PWs) bands (ev): -10.6722 -10.6684 -10.6598 -10.6590 -9.6621 -9.6587 -9.6317 -9.6296 -9.6209 -9.6199 3.4127 3.4398 6.5798 6.6143 8.0291 8.0456 8.2842 8.3019 9.1623 9.1990 9.2298 9.2411 9.3207 9.3406 10.4797 10.4817 10.9038 10.9168 12.0179 12.0696 12.6753 12.6772 12.9767 13.0154 14.7348 14.7493 k = 0.4453 0.2571 0.3827 ( 2288 PWs) bands (ev): -10.6725 -10.6685 -10.6598 -10.6588 -9.6623 -9.6587 -9.6321 -9.6298 -9.6208 -9.6196 3.4301 3.4590 6.6136 6.6503 8.0107 8.0270 8.2982 8.3173 9.1631 9.1993 9.2384 9.2494 9.3312 9.3466 10.4286 10.4297 10.9096 10.9234 11.9290 11.9786 12.6339 12.6385 12.9794 13.0215 14.7200 14.7364 k = 0.4414 0.2548 0.3955 ( 2292 PWs) bands (ev): -10.6729 -10.6687 -10.6597 -10.6587 -9.6626 -9.6587 -9.6325 -9.6299 -9.6207 -9.6193 3.4482 3.4790 6.6500 6.6886 7.9912 8.0069 8.3132 8.3338 9.1636 9.1979 9.2474 9.2588 9.3428 9.3528 10.3736 10.3784 10.9158 10.9304 11.8410 11.8880 12.5926 12.5995 12.9827 13.0282 14.7010 14.7197 k = 0.4375 0.2526 0.4082 ( 2289 PWs) bands (ev): -10.6731 -10.6688 -10.6597 -10.6585 -9.6628 -9.6587 -9.6328 -9.6299 -9.6206 -9.6190 3.4669 3.4994 6.6889 6.7292 7.9707 7.9855 8.3293 8.3513 9.1638 9.1951 9.2565 9.2690 9.3552 9.3591 10.3168 10.3259 10.9225 10.9377 11.7550 11.7987 12.5517 12.5609 12.9864 13.0351 14.6781 14.6994 k = 0.4336 0.2503 0.4210 ( 2290 PWs) bands (ev): -10.6734 -10.6689 -10.6597 -10.6584 -9.6631 -9.6587 -9.6331 -9.6300 -9.6205 -9.6187 3.4860 3.5202 6.7303 6.7721 7.9493 7.9627 8.3462 8.3696 9.1633 9.1910 9.2657 9.2797 9.3655 9.3684 10.2586 10.2725 10.9295 10.9452 11.6715 11.7116 12.5116 12.5229 12.9904 13.0422 14.6515 14.6755 k = 0.4297 0.2481 0.4338 ( 2292 PWs) bands (ev): -10.6737 -10.6690 -10.6598 -10.6583 -9.6633 -9.6588 -9.6335 -9.6301 -9.6205 -9.6185 3.5054 3.5412 6.7741 6.8169 7.9272 7.9388 8.3640 8.3887 9.1622 9.1855 9.2750 9.2906 9.3719 9.3822 10.1994 10.2185 10.9367 10.9529 11.5914 11.6275 12.4727 12.4860 12.9943 13.0493 14.6218 14.6486 k = 0.4258 0.2458 0.4465 ( 2292 PWs) bands (ev): -10.6739 -10.6692 -10.6598 -10.6582 -9.6636 -9.6588 -9.6338 -9.6301 -9.6205 -9.6183 3.5250 3.5623 6.8202 6.8637 7.9046 7.9139 8.3824 8.4085 9.1601 9.1787 9.2842 9.3016 9.3782 9.3966 10.1395 10.1644 10.9440 10.9606 11.5153 11.5471 12.4355 12.4506 12.9981 13.0562 14.5895 14.6190 k = 0.4219 0.2436 0.4593 ( 2288 PWs) bands (ev): -10.6741 -10.6693 -10.6599 -10.6581 -9.6638 -9.6588 -9.6340 -9.6301 -9.6204 -9.6181 3.5446 3.5833 6.8683 6.9120 7.8818 7.8881 8.4015 8.4288 9.1568 9.1705 9.2933 9.3125 9.3844 9.4114 10.0796 10.1106 10.9513 10.9680 11.4435 11.4711 12.4002 12.4171 13.0015 13.0626 14.5551 14.5874 k = 0.4180 0.2413 0.4720 ( 2288 PWs) bands (ev): -10.6743 -10.6694 -10.6599 -10.6580 -9.6640 -9.6589 -9.6343 -9.6301 -9.6205 -9.6179 3.5640 3.6039 6.9184 6.9615 7.8589 7.8615 8.4212 8.4498 9.1520 9.1608 9.3021 9.3229 9.3903 9.4265 10.0203 10.0576 10.9582 10.9750 11.3765 11.3998 12.3675 12.3861 13.0042 13.0683 14.5195 14.5542 k = 0.4141 0.2391 0.4848 ( 2290 PWs) bands (ev): -10.6745 -10.6695 -10.6600 -10.6579 -9.6642 -9.6589 -9.6345 -9.6301 -9.6205 -9.6178 3.5831 3.6241 6.9700 7.0117 7.8343 7.8363 8.4413 8.4712 9.1455 9.1494 9.3106 9.3326 9.3958 9.4419 9.9624 10.0063 10.9646 10.9813 11.3145 11.3337 12.3376 12.3579 13.0061 13.0730 14.4833 14.5201 k = 0.4102 0.2368 0.4976 ( 2290 PWs) bands (ev): -10.6746 -10.6695 -10.6601 -10.6579 -9.6643 -9.6590 -9.6348 -9.6300 -9.6205 -9.6176 3.6017 3.6437 7.0227 7.0619 7.8069 7.8147 8.4619 8.4930 9.1365 9.1370 9.3187 9.3416 9.4009 9.4572 9.9068 9.9573 10.9702 10.9864 11.2575 11.2730 12.3110 12.3329 13.0068 13.0764 14.4472 14.4857 k = 0.4062 0.2345 0.5103 ( 2290 PWs) bands (ev): -10.6748 -10.6696 -10.6602 -10.6578 -9.6645 -9.6590 -9.6350 -9.6300 -9.6206 -9.6175 3.6195 3.6624 7.0758 7.1110 7.7797 7.7947 8.4828 8.5152 9.1218 9.1264 9.3263 9.3495 9.4054 9.4723 9.8546 9.9115 10.9746 10.9900 11.2055 11.2179 12.2883 12.3117 13.0063 13.0782 14.4122 14.4513 k = 0.4023 0.2323 0.5231 ( 2288 PWs) bands (ev): -10.6748 -10.6697 -10.6603 -10.6578 -9.6646 -9.6591 -9.6351 -9.6299 -9.6206 -9.6174 3.6365 3.6802 7.1285 7.1578 7.7533 7.7774 8.5041 8.5376 9.1054 9.1137 9.3333 9.3562 9.4092 9.4868 9.8069 9.8699 10.9774 10.9915 11.1584 11.1686 12.2697 12.2947 13.0041 13.0782 14.3788 14.4167 k = 0.3984 0.2300 0.5358 ( 2290 PWs) bands (ev): -10.6749 -10.6697 -10.6605 -10.6578 -9.6648 -9.6591 -9.6353 -9.6298 -9.6207 -9.6174 3.6525 3.6966 7.1792 7.2004 7.7291 7.7645 8.5256 8.5603 9.0876 9.0988 9.3396 9.3614 9.4122 9.5003 9.7647 9.8329 10.9782 10.9902 11.1162 11.1253 12.2559 12.2823 13.0002 13.0760 14.3478 14.3803 k = 0.3945 0.2278 0.5486 ( 2290 PWs) bands (ev): -10.6749 -10.6697 -10.6606 -10.6578 -9.6649 -9.6592 -9.6354 -9.6297 -9.6208 -9.6173 3.6671 3.7117 7.2257 7.2361 7.7090 7.7581 8.5473 8.5832 9.0687 9.0823 9.3452 9.3652 9.4144 9.5119 9.7294 9.8013 10.9764 10.9851 11.0786 11.0883 12.2472 12.2748 12.9945 13.0715 14.3194 14.3384 k = 0.3906 0.2255 0.5613 ( 2292 PWs) bands (ev): -10.6749 -10.6698 -10.6608 -10.6578 -9.6650 -9.6592 -9.6356 -9.6296 -9.6209 -9.6173 3.6804 3.7252 7.2623 7.2645 7.6960 7.7605 8.5691 8.6061 9.0493 9.0646 9.3499 9.3673 9.4157 9.5206 9.7023 9.7752 10.9714 10.9754 11.0457 11.0579 12.2439 12.2727 12.9868 13.0645 14.2892 14.2919 k = 0.3867 0.2233 0.5741 ( 2294 PWs) bands (ev): -10.6749 -10.6698 -10.6610 -10.6578 -9.6650 -9.6593 -9.6357 -9.6295 -9.6210 -9.6174 3.6920 3.7368 7.2767 7.2913 7.6942 7.7737 8.5911 8.6292 9.0301 9.0466 9.3538 9.3677 9.4163 9.5254 9.6844 9.7547 10.9605 10.9626 11.0174 11.0338 12.2464 12.2761 12.9773 13.0550 14.2355 14.2559 k = 0.3828 0.2210 0.5869 ( 2294 PWs) bands (ev): -10.6748 -10.6698 -10.6612 -10.6579 -9.6651 -9.6593 -9.6357 -9.6294 -9.6211 -9.6174 3.7018 3.7465 7.2782 7.3023 7.7072 7.7982 8.6130 8.6522 9.0121 9.0294 9.3566 9.3665 9.4162 9.5255 9.6761 9.7394 10.9419 10.9496 10.9935 11.0142 12.2546 12.2852 12.9662 13.0433 14.1800 14.2060 k = 0.3789 0.2188 0.5996 ( 2293 PWs) bands (ev): -10.6747 -10.6698 -10.6614 -10.6579 -9.6651 -9.6594 -9.6358 -9.6293 -9.6212 -9.6175 3.7096 3.7539 7.2679 7.2968 7.7352 7.8327 8.6350 8.6753 8.9963 9.0141 9.3585 9.3637 9.4157 9.5218 9.6762 9.7290 10.9216 10.9329 10.9730 10.9964 12.2687 12.3000 12.9538 13.0297 14.1242 14.1521 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6746 -10.6698 -10.6616 -10.6580 -9.6651 -9.6595 -9.6358 -9.6292 -9.6213 -9.6176 3.7151 3.7589 7.2478 7.2774 7.7756 7.8747 8.6569 8.6982 8.9837 9.0018 9.3592 9.3597 9.4148 9.5156 9.6824 9.7227 10.9008 10.9138 10.9538 10.9785 12.2886 12.3204 12.9408 13.0148 14.0690 14.0981 k = 0.6184-0.0836 0.4082 ( 2287 PWs) bands (ev): -10.6744 -10.6698 -10.6619 -10.6580 -9.6650 -9.6595 -9.6358 -9.6290 -9.6214 -9.6177 3.7217 3.7643 7.2076 7.2358 7.8520 7.9503 8.6939 8.7369 8.9658 8.9842 9.3514 9.3598 9.4124 9.5046 9.6981 9.7173 10.8669 10.8811 10.9229 10.9484 12.3261 12.3585 12.9200 12.9903 13.9784 14.0090 k = 0.6118-0.0950 0.4082 ( 2277 PWs) bands (ev): -10.6741 -10.6697 -10.6622 -10.6581 -9.6650 -9.6596 -9.6357 -9.6288 -9.6216 -9.6179 3.7270 3.7683 7.1687 7.1955 7.9284 8.0255 8.7308 8.7758 8.9487 8.9668 9.3414 9.3604 9.4079 9.4949 9.7158 9.7160 10.8348 10.8496 10.8937 10.9197 12.3621 12.3951 12.9023 12.9688 13.8906 13.9227 k = 0.6053-0.1064 0.4082 ( 2287 PWs) bands (ev): -10.6738 -10.6697 -10.6626 -10.6583 -9.6649 -9.6597 -9.6357 -9.6286 -9.6218 -9.6181 3.7312 3.7710 7.1313 7.1566 8.0041 8.0992 8.7672 8.8145 8.9330 8.9500 9.3296 9.3612 9.4012 9.4869 9.7186 9.7357 10.8041 10.8192 10.8659 10.8923 12.3966 12.4303 12.8878 12.9503 13.8057 13.8393 k = 0.5987-0.1177 0.4082 ( 2283 PWs) bands (ev): -10.6734 -10.6696 -10.6629 -10.6585 -9.6648 -9.6599 -9.6356 -9.6284 -9.6220 -9.6182 3.7345 3.7726 7.0956 7.1194 8.0782 8.1706 8.8021 8.8527 8.9197 8.9345 9.3163 9.3622 9.3926 9.4811 9.7262 9.7574 10.7746 10.7895 10.8395 10.8661 12.4297 12.4641 12.8767 12.9352 13.7239 13.7590 k = 0.5921-0.1291 0.4082 ( 2287 PWs) bands (ev): -10.6730 -10.6696 -10.6632 -10.6588 -9.6647 -9.6600 -9.6355 -9.6282 -9.6223 -9.6185 3.7369 3.7732 7.0616 7.0839 8.1499 8.2388 8.8334 8.8884 8.9112 8.9220 9.3017 9.3629 9.3828 9.4771 9.7385 9.7808 10.7458 10.7603 10.8145 10.8411 12.4615 12.4965 12.8691 12.9234 13.6453 13.6820 k = 0.5855-0.1405 0.4082 ( 2284 PWs) bands (ev): -10.6726 -10.6695 -10.6635 -10.6590 -9.6646 -9.6601 -9.6353 -9.6280 -9.6225 -9.6187 3.7388 3.7730 7.0295 7.0503 8.2184 8.3029 8.8544 8.9011 8.9142 8.9333 9.2863 9.3606 9.3751 9.4751 9.7553 9.8061 10.7175 10.7314 10.7907 10.8173 12.4919 12.5278 12.8650 12.9151 13.5700 13.6084 k = 0.5789-0.1519 0.4082 ( 2280 PWs) bands (ev): -10.6722 -10.6694 -10.6638 -10.6593 -9.6644 -9.6602 -9.6351 -9.6278 -9.6228 -9.6189 3.7400 3.7721 6.9995 7.0186 8.2828 8.3618 8.8597 8.8925 8.9342 8.9668 9.2704 9.3505 9.3748 9.4746 9.7766 9.8331 10.6895 10.7026 10.7681 10.7945 12.5212 12.5578 12.8644 12.9104 13.4982 13.5383 k = 0.5724-0.1633 0.4082 ( 2276 PWs) bands (ev): -10.6717 -10.6693 -10.6641 -10.6596 -9.6642 -9.6604 -9.6348 -9.6277 -9.6230 -9.6191 3.7409 3.7707 6.9715 6.9891 8.3421 8.4149 8.8581 8.8846 8.9627 9.0002 9.2544 9.3365 9.3785 9.4756 9.8019 9.8616 10.6616 10.6740 10.7466 10.7728 12.5494 12.5869 12.8673 12.9090 13.4300 13.4717 k = 0.5658-0.1747 0.4082 ( 2276 PWs) bands (ev): -10.6712 -10.6692 -10.6644 -10.6600 -9.6641 -9.6605 -9.6346 -9.6276 -9.6232 -9.6194 3.7415 3.7689 6.9457 6.9617 8.3957 8.4613 8.8566 8.8793 8.9926 9.0317 9.2386 9.3214 9.3841 9.4778 9.8308 9.8916 10.6340 10.6456 10.7259 10.7520 12.5767 12.6150 12.8735 12.9110 13.3655 13.4089 k = 0.5592-0.1861 0.4082 ( 2276 PWs) bands (ev): -10.6707 -10.6691 -10.6647 -10.6604 -9.6639 -9.6607 -9.6343 -9.6276 -9.6234 -9.6196 3.7419 3.7669 6.9221 6.9365 8.4426 8.5004 8.8575 8.8773 9.0218 9.0603 9.2232 9.3058 9.3915 9.4810 9.8626 9.9227 10.6066 10.6175 10.7063 10.7320 12.6031 12.6422 12.8828 12.9160 13.3048 13.3497 k = 0.5526-0.1975 0.4082 ( 2280 PWs) bands (ev): -10.6702 -10.6690 -10.6650 -10.6608 -9.6637 -9.6608 -9.6340 -9.6277 -9.6235 -9.6199 3.7422 3.7646 6.9009 6.9137 8.4823 8.5321 8.8616 8.8787 9.0493 9.0853 9.2086 9.2900 9.4007 9.4849 9.8969 9.9545 10.5797 10.5898 10.6875 10.7127 12.6287 12.6687 12.8949 12.9239 13.2481 13.2944 k = 0.5461-0.2089 0.4082 ( 2280 PWs) bands (ev): -10.6697 -10.6689 -10.6652 -10.6612 -9.6636 -9.6610 -9.6336 -9.6279 -9.6235 -9.6202 3.7424 3.7622 6.8821 6.8933 8.5148 8.5565 8.8691 8.8833 9.0745 9.1064 9.1952 9.2746 9.4117 9.4892 9.9328 9.9865 10.5535 10.5628 10.6698 10.6942 12.6538 12.6943 12.9093 12.9340 13.1954 13.2429 k = 0.5395-0.2203 0.4082 ( 2288 PWs) bands (ev): -10.6692 -10.6688 -10.6654 -10.6617 -9.6634 -9.6612 -9.6332 -9.6281 -9.6234 -9.6205 3.7427 3.7598 6.8658 6.8754 8.5402 8.5743 8.8793 8.8904 9.0969 9.1230 9.1833 9.2598 9.4241 9.4936 9.9693 10.0180 10.5284 10.5367 10.6534 10.6765 12.6784 12.7192 12.9254 12.9456 13.1470 13.1954 k = 0.5329-0.2317 0.4082 ( 2290 PWs) bands (ev): -10.6688 -10.6686 -10.6656 -10.6622 -9.6632 -9.6614 -9.6328 -9.6284 -9.6233 -9.6207 3.7431 3.7574 6.8520 6.8600 8.5595 8.5866 8.8914 8.8993 9.1160 9.1351 9.1738 9.2459 9.4376 9.4977 10.0054 10.0481 10.5047 10.5119 10.6387 10.6599 12.7025 12.7428 12.9423 12.9578 13.1034 13.1521 k = 0.5263-0.2431 0.4082 ( 2286 PWs) bands (ev): -10.6685 -10.6684 -10.6656 -10.6627 -9.6630 -9.6615 -9.6324 -9.6288 -9.6231 -9.6210 3.7436 3.7551 6.8408 6.8472 8.5737 8.5944 8.9040 8.9088 9.1305 9.1427 9.1684 9.2333 9.4514 9.5009 10.0399 10.0756 10.4830 10.4888 10.6262 10.6447 12.7262 12.7648 12.9589 12.9694 13.0655 13.1133 k = 0.5197-0.2545 0.4082 ( 2280 PWs) bands (ev): -10.6683 -10.6681 -10.6656 -10.6632 -9.6628 -9.6617 -9.6320 -9.6292 -9.6229 -9.6213 3.7443 3.7529 6.8322 6.8370 8.5839 8.5989 8.9155 8.9178 9.1381 9.1461 9.1696 9.2221 9.4647 9.5027 10.0710 10.0990 10.4641 10.4685 10.6164 10.6314 12.7490 12.7840 12.9730 12.9785 13.0355 13.0800 k = 0.5132-0.2659 0.4082 ( 2276 PWs) bands (ev): -10.6682 -10.6679 -10.6654 -10.6637 -9.6626 -9.6619 -9.6315 -9.6296 -9.6226 -9.6215 3.7452 3.7510 6.8263 6.8295 8.5911 8.6009 8.9245 8.9252 9.1399 9.1463 9.1769 9.2123 9.4768 9.5025 10.0971 10.1165 10.4492 10.4519 10.6099 10.6204 12.7703 12.7982 12.9800 12.9829 13.0186 13.0538 k = 0.5066-0.2773 0.4082 ( 2272 PWs) bands (ev): -10.6680 -10.6679 -10.6650 -10.6642 -9.6624 -9.6621 -9.6310 -9.6301 -9.6224 -9.6218 3.7463 3.7492 6.8231 6.8247 8.5961 8.6009 8.9302 8.9303 9.1407 9.1445 9.1860 9.2035 9.4870 9.4999 10.1161 10.1260 10.4395 10.4408 10.6069 10.6124 12.7885 12.8045 12.9780 12.9816 13.0186 13.0362 k = 0.5000-0.2887 0.4082 ( 2272 PWs) bands (ev): -10.6679 -10.6679 -10.6646 -10.6646 -9.6622 -9.6622 -9.6305 -9.6305 -9.6221 -9.6221 3.7476 3.7476 6.8225 6.8225 8.5993 8.5993 8.9321 8.9321 9.1423 9.1423 9.1949 9.1949 9.4948 9.4948 10.1261 10.1261 10.4365 10.4365 10.6078 10.6078 12.8010 12.8010 12.9778 12.9778 13.0256 13.0256 Writing output data file ZrNiSn.save init_run : 0.68s CPU 0.40s WALL ( 1 calls) electrons : 221.22s CPU 126.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 221.21s CPU 126.14s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.23s WALL ( 346 calls) cegterg : 196.12s CPU 111.43s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 127.75s CPU 70.48s WALL ( 6780 calls) s_psi : 4.24s CPU 2.32s WALL ( 6780 calls) g_psi : 0.14s CPU 0.09s WALL ( 6033 calls) cdiaghg : 71.68s CPU 42.44s WALL ( 6379 calls) cegterg:over : 5.47s CPU 3.05s WALL ( 6033 calls) cegterg:upda : 3.54s CPU 2.05s WALL ( 6033 calls) cegterg:last : 1.97s CPU 1.13s WALL ( 1093 calls) cdiaghg:chol : 3.57s CPU 2.16s WALL ( 6379 calls) cdiaghg:inve : 1.89s CPU 1.16s WALL ( 6379 calls) cdiaghg:para : 3.76s CPU 2.23s WALL ( 12758 calls) Called by h_psi: h_psi:vloc : 116.72s CPU 64.50s WALL ( 6780 calls) h_psi:vnl : 10.86s CPU 5.90s WALL ( 6780 calls) add_vuspsi : 6.60s CPU 3.49s WALL ( 6780 calls) General routines calbec : 4.20s CPU 2.38s WALL ( 6780 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 110.13s CPU 60.97s WALL ( 551332 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.32s CPU 0.37s WALL ( 692 calls) Parallel routines fft_scatter : 45.48s CPU 25.30s WALL ( 551355 calls) PWSCF : 3m51.66s CPU 2m27.22s WALL This run was terminated on: 4:28:17 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=