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 32 25 7 717 511 79 Max 33 26 8 718 520 84 Sum 1159 925 265 25821 18499 2891 bravais-lattice index = 14 lattice parameter (alat) = 8.1684 a.u. unit-cell volume = 385.3893 (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)= 8.168423 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 0.2211538 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), 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 0.3204545 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704545 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454546), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954545 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), 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 0.4960937 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), 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 0.1315790 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 25821 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18499 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 36) NL pseudopotentials 0.08 Mb ( 66, 84) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 717) G-vector shells 0.00 Mb ( 230) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 132, 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 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.6 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 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.2 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.2 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 14.8 secs Computing kpt #: 33 total cpu time spent up to now is 15.2 secs Computing kpt #: 34 total cpu time spent up to now is 15.5 secs Computing kpt #: 35 total cpu time spent up to now is 15.9 secs Computing kpt #: 36 total cpu time spent up to now is 16.2 secs Computing kpt #: 37 total cpu time spent up to now is 16.5 secs Computing kpt #: 38 total cpu time spent up to now is 16.8 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.5 secs Computing kpt #: 41 total cpu time spent up to now is 17.9 secs Computing kpt #: 42 total cpu time spent up to now is 18.3 secs Computing kpt #: 43 total cpu time spent up to now is 18.7 secs Computing kpt #: 44 total cpu time spent up to now is 19.1 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.9 secs Computing kpt #: 47 total cpu time spent up to now is 20.3 secs Computing kpt #: 48 total cpu time spent up to now is 20.6 secs Computing kpt #: 49 total cpu time spent up to now is 21.0 secs Computing kpt #: 50 total cpu time spent up to now is 21.4 secs Computing kpt #: 51 total cpu time spent up to now is 21.7 secs Computing kpt #: 52 total cpu time spent up to now is 22.1 secs Computing kpt #: 53 total cpu time spent up to now is 22.4 secs Computing kpt #: 54 total cpu time spent up to now is 22.8 secs Computing kpt #: 55 total cpu time spent up to now is 23.1 secs Computing kpt #: 56 total cpu time spent up to now is 23.4 secs Computing kpt #: 57 total cpu time spent up to now is 23.8 secs Computing kpt #: 58 total cpu time spent up to now is 24.1 secs Computing kpt #: 59 total cpu time spent up to now is 24.5 secs Computing kpt #: 60 total cpu time spent up to now is 24.8 secs Computing kpt #: 61 total cpu time spent up to now is 25.1 secs Computing kpt #: 62 total cpu time spent up to now is 25.5 secs Computing kpt #: 63 total cpu time spent up to now is 25.8 secs Computing kpt #: 64 total cpu time spent up to now is 26.1 secs Computing kpt #: 65 total cpu time spent up to now is 26.5 secs Computing kpt #: 66 total cpu time spent up to now is 26.8 secs Computing kpt #: 67 total cpu time spent up to now is 27.1 secs Computing kpt #: 68 total cpu time spent up to now is 27.4 secs Computing kpt #: 69 total cpu time spent up to now is 27.7 secs Computing kpt #: 70 total cpu time spent up to now is 28.1 secs Computing kpt #: 71 total cpu time spent up to now is 28.4 secs Computing kpt #: 72 total cpu time spent up to now is 28.7 secs Computing kpt #: 73 total cpu time spent up to now is 29.0 secs Computing kpt #: 74 total cpu time spent up to now is 29.3 secs Computing kpt #: 75 total cpu time spent up to now is 29.6 secs Computing kpt #: 76 total cpu time spent up to now is 29.9 secs Computing kpt #: 77 total cpu time spent up to now is 30.2 secs Computing kpt #: 78 total cpu time spent up to now is 30.5 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 31.8 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 34.5 secs Computing kpt #: 91 total cpu time spent up to now is 34.8 secs Computing kpt #: 92 total cpu time spent up to now is 35.1 secs Computing kpt #: 93 total cpu time spent up to now is 35.5 secs Computing kpt #: 94 total cpu time spent up to now is 35.8 secs Computing kpt #: 95 total cpu time spent up to now is 36.1 secs Computing kpt #: 96 total cpu time spent up to now is 36.5 secs Computing kpt #: 97 total cpu time spent up to now is 36.8 secs Computing kpt #: 98 total cpu time spent up to now is 37.2 secs Computing kpt #: 99 total cpu time spent up to now is 37.5 secs Computing kpt #: 100 total cpu time spent up to now is 37.9 secs Computing kpt #: 101 total cpu time spent up to now is 38.2 secs Computing kpt #: 102 total cpu time spent up to now is 38.6 secs Computing kpt #: 103 total cpu time spent up to now is 38.9 secs Computing kpt #: 104 total cpu time spent up to now is 39.3 secs Computing kpt #: 105 total cpu time spent up to now is 39.7 secs Computing kpt #: 106 total cpu time spent up to now is 40.0 secs Computing kpt #: 107 total cpu time spent up to now is 40.3 secs Computing kpt #: 108 total cpu time spent up to now is 40.6 secs Computing kpt #: 109 total cpu time spent up to now is 40.9 secs Computing kpt #: 110 total cpu time spent up to now is 41.3 secs Computing kpt #: 111 total cpu time spent up to now is 41.6 secs Computing kpt #: 112 total cpu time spent up to now is 41.9 secs Computing kpt #: 113 total cpu time spent up to now is 42.2 secs Computing kpt #: 114 total cpu time spent up to now is 42.5 secs Computing kpt #: 115 total cpu time spent up to now is 42.9 secs Computing kpt #: 116 total cpu time spent up to now is 43.2 secs Computing kpt #: 117 total cpu time spent up to now is 43.5 secs Computing kpt #: 118 total cpu time spent up to now is 43.8 secs Computing kpt #: 119 total cpu time spent up to now is 44.1 secs Computing kpt #: 120 total cpu time spent up to now is 44.5 secs Computing kpt #: 121 total cpu time spent up to now is 44.8 secs Computing kpt #: 122 total cpu time spent up to now is 45.1 secs Computing kpt #: 123 total cpu time spent up to now is 45.5 secs Computing kpt #: 124 total cpu time spent up to now is 45.8 secs Computing kpt #: 125 total cpu time spent up to now is 46.1 secs Computing kpt #: 126 total cpu time spent up to now is 46.4 secs Computing kpt #: 127 total cpu time spent up to now is 46.8 secs Computing kpt #: 128 total cpu time spent up to now is 47.1 secs Computing kpt #: 129 total cpu time spent up to now is 47.5 secs Computing kpt #: 130 total cpu time spent up to now is 47.9 secs Computing kpt #: 131 total cpu time spent up to now is 48.2 secs Computing kpt #: 132 total cpu time spent up to now is 48.5 secs Computing kpt #: 133 total cpu time spent up to now is 48.9 secs Computing kpt #: 134 total cpu time spent up to now is 49.3 secs Computing kpt #: 135 total cpu time spent up to now is 49.6 secs Computing kpt #: 136 total cpu time spent up to now is 49.9 secs Computing kpt #: 137 total cpu time spent up to now is 50.3 secs Computing kpt #: 138 total cpu time spent up to now is 50.7 secs Computing kpt #: 139 total cpu time spent up to now is 51.1 secs Computing kpt #: 140 total cpu time spent up to now is 51.5 secs Computing kpt #: 141 total cpu time spent up to now is 51.9 secs Computing kpt #: 142 total cpu time spent up to now is 52.3 secs Computing kpt #: 143 total cpu time spent up to now is 52.8 secs Computing kpt #: 144 total cpu time spent up to now is 53.2 secs Computing kpt #: 145 total cpu time spent up to now is 53.6 secs Computing kpt #: 146 total cpu time spent up to now is 54.0 secs Computing kpt #: 147 total cpu time spent up to now is 54.4 secs Computing kpt #: 148 total cpu time spent up to now is 54.8 secs Computing kpt #: 149 total cpu time spent up to now is 55.2 secs Computing kpt #: 150 total cpu time spent up to now is 55.5 secs Computing kpt #: 151 total cpu time spent up to now is 55.9 secs Computing kpt #: 152 total cpu time spent up to now is 56.3 secs Computing kpt #: 153 total cpu time spent up to now is 56.7 secs Computing kpt #: 154 total cpu time spent up to now is 57.1 secs Computing kpt #: 155 total cpu time spent up to now is 57.5 secs Computing kpt #: 156 total cpu time spent up to now is 57.9 secs Computing kpt #: 157 total cpu time spent up to now is 58.3 secs Computing kpt #: 158 total cpu time spent up to now is 58.7 secs Computing kpt #: 159 total cpu time spent up to now is 59.2 secs Computing kpt #: 160 total cpu time spent up to now is 59.6 secs Computing kpt #: 161 total cpu time spent up to now is 59.9 secs Computing kpt #: 162 total cpu time spent up to now is 60.3 secs Computing kpt #: 163 total cpu time spent up to now is 60.7 secs Computing kpt #: 164 total cpu time spent up to now is 61.0 secs Computing kpt #: 165 total cpu time spent up to now is 61.4 secs Computing kpt #: 166 total cpu time spent up to now is 61.8 secs Computing kpt #: 167 total cpu time spent up to now is 62.1 secs Computing kpt #: 168 total cpu time spent up to now is 62.5 secs Computing kpt #: 169 total cpu time spent up to now is 62.8 secs Computing kpt #: 170 total cpu time spent up to now is 63.2 secs Computing kpt #: 171 total cpu time spent up to now is 63.5 secs Computing kpt #: 172 total cpu time spent up to now is 63.9 secs Computing kpt #: 173 total cpu time spent up to now is 64.3 secs Computing kpt #: 174 total cpu time spent up to now is 64.7 secs Computing kpt #: 175 total cpu time spent up to now is 65.1 secs Computing kpt #: 176 total cpu time spent up to now is 65.4 secs Computing kpt #: 177 total cpu time spent up to now is 65.8 secs Computing kpt #: 178 total cpu time spent up to now is 66.1 secs Computing kpt #: 179 total cpu time spent up to now is 66.5 secs Computing kpt #: 180 total cpu time spent up to now is 66.9 secs Computing kpt #: 181 total cpu time spent up to now is 67.2 secs Computing kpt #: 182 total cpu time spent up to now is 67.5 secs Computing kpt #: 183 total cpu time spent up to now is 67.9 secs Computing kpt #: 184 total cpu time spent up to now is 68.3 secs Computing kpt #: 185 total cpu time spent up to now is 68.7 secs Computing kpt #: 186 total cpu time spent up to now is 69.0 secs Computing kpt #: 187 total cpu time spent up to now is 69.3 secs Computing kpt #: 188 total cpu time spent up to now is 69.7 secs Computing kpt #: 189 total cpu time spent up to now is 70.1 secs Computing kpt #: 190 total cpu time spent up to now is 70.5 secs Computing kpt #: 191 total cpu time spent up to now is 70.9 secs Computing kpt #: 192 total cpu time spent up to now is 71.3 secs Computing kpt #: 193 total cpu time spent up to now is 71.6 secs Computing kpt #: 194 total cpu time spent up to now is 72.0 secs Computing kpt #: 195 total cpu time spent up to now is 72.3 secs Computing kpt #: 196 total cpu time spent up to now is 72.7 secs Computing kpt #: 197 total cpu time spent up to now is 73.1 secs Computing kpt #: 198 total cpu time spent up to now is 73.5 secs Computing kpt #: 199 total cpu time spent up to now is 73.9 secs Computing kpt #: 200 total cpu time spent up to now is 74.2 secs Computing kpt #: 201 total cpu time spent up to now is 74.6 secs Computing kpt #: 202 total cpu time spent up to now is 75.0 secs Computing kpt #: 203 total cpu time spent up to now is 75.4 secs Computing kpt #: 204 total cpu time spent up to now is 75.7 secs Computing kpt #: 205 total cpu time spent up to now is 76.2 secs Computing kpt #: 206 total cpu time spent up to now is 76.6 secs Computing kpt #: 207 total cpu time spent up to now is 77.0 secs Computing kpt #: 208 total cpu time spent up to now is 77.4 secs Computing kpt #: 209 total cpu time spent up to now is 77.8 secs Computing kpt #: 210 total cpu time spent up to now is 78.2 secs Computing kpt #: 211 total cpu time spent up to now is 78.7 secs Computing kpt #: 212 total cpu time spent up to now is 79.1 secs Computing kpt #: 213 total cpu time spent up to now is 79.5 secs Computing kpt #: 214 total cpu time spent up to now is 79.9 secs Computing kpt #: 215 total cpu time spent up to now is 80.3 secs Computing kpt #: 216 total cpu time spent up to now is 80.7 secs Computing kpt #: 217 total cpu time spent up to now is 81.0 secs Computing kpt #: 218 total cpu time spent up to now is 81.4 secs Computing kpt #: 219 total cpu time spent up to now is 81.7 secs Computing kpt #: 220 total cpu time spent up to now is 82.1 secs Computing kpt #: 221 total cpu time spent up to now is 82.5 secs Computing kpt #: 222 total cpu time spent up to now is 82.8 secs Computing kpt #: 223 total cpu time spent up to now is 83.1 secs Computing kpt #: 224 total cpu time spent up to now is 83.5 secs Computing kpt #: 225 total cpu time spent up to now is 83.8 secs Computing kpt #: 226 total cpu time spent up to now is 84.2 secs Computing kpt #: 227 total cpu time spent up to now is 84.5 secs Computing kpt #: 228 total cpu time spent up to now is 84.9 secs Computing kpt #: 229 total cpu time spent up to now is 85.3 secs Computing kpt #: 230 total cpu time spent up to now is 85.6 secs Computing kpt #: 231 total cpu time spent up to now is 86.0 secs Computing kpt #: 232 total cpu time spent up to now is 86.3 secs Computing kpt #: 233 total cpu time spent up to now is 86.7 secs Computing kpt #: 234 total cpu time spent up to now is 87.0 secs Computing kpt #: 235 total cpu time spent up to now is 87.4 secs Computing kpt #: 236 total cpu time spent up to now is 87.7 secs Computing kpt #: 237 total cpu time spent up to now is 88.1 secs Computing kpt #: 238 total cpu time spent up to now is 88.5 secs Computing kpt #: 239 total cpu time spent up to now is 88.8 secs Computing kpt #: 240 total cpu time spent up to now is 89.2 secs Computing kpt #: 241 total cpu time spent up to now is 89.5 secs Computing kpt #: 242 total cpu time spent up to now is 89.8 secs Computing kpt #: 243 total cpu time spent up to now is 90.2 secs Computing kpt #: 244 total cpu time spent up to now is 90.5 secs Computing kpt #: 245 total cpu time spent up to now is 90.9 secs Computing kpt #: 246 total cpu time spent up to now is 91.3 secs Computing kpt #: 247 total cpu time spent up to now is 91.6 secs Computing kpt #: 248 total cpu time spent up to now is 91.9 secs Computing kpt #: 249 total cpu time spent up to now is 92.3 secs Computing kpt #: 250 total cpu time spent up to now is 92.6 secs Computing kpt #: 251 total cpu time spent up to now is 93.0 secs Computing kpt #: 252 total cpu time spent up to now is 93.3 secs Computing kpt #: 253 total cpu time spent up to now is 93.6 secs Computing kpt #: 254 total cpu time spent up to now is 93.9 secs Computing kpt #: 255 total cpu time spent up to now is 94.2 secs Computing kpt #: 256 total cpu time spent up to now is 94.5 secs Computing kpt #: 257 total cpu time spent up to now is 94.8 secs Computing kpt #: 258 total cpu time spent up to now is 95.1 secs Computing kpt #: 259 total cpu time spent up to now is 95.4 secs Computing kpt #: 260 total cpu time spent up to now is 95.7 secs Computing kpt #: 261 total cpu time spent up to now is 96.0 secs Computing kpt #: 262 total cpu time spent up to now is 96.3 secs Computing kpt #: 263 total cpu time spent up to now is 96.7 secs Computing kpt #: 264 total cpu time spent up to now is 97.0 secs Computing kpt #: 265 total cpu time spent up to now is 97.4 secs Computing kpt #: 266 total cpu time spent up to now is 97.7 secs Computing kpt #: 267 total cpu time spent up to now is 98.0 secs Computing kpt #: 268 total cpu time spent up to now is 98.3 secs Computing kpt #: 269 total cpu time spent up to now is 98.7 secs Computing kpt #: 270 total cpu time spent up to now is 99.0 secs Computing kpt #: 271 total cpu time spent up to now is 99.3 secs Computing kpt #: 272 total cpu time spent up to now is 99.7 secs Computing kpt #: 273 total cpu time spent up to now is 100.1 secs Computing kpt #: 274 total cpu time spent up to now is 100.4 secs Computing kpt #: 275 total cpu time spent up to now is 100.7 secs Computing kpt #: 276 total cpu time spent up to now is 101.1 secs Computing kpt #: 277 total cpu time spent up to now is 101.4 secs Computing kpt #: 278 total cpu time spent up to now is 101.7 secs Computing kpt #: 279 total cpu time spent up to now is 102.1 secs Computing kpt #: 280 total cpu time spent up to now is 102.5 secs Computing kpt #: 281 total cpu time spent up to now is 102.9 secs Computing kpt #: 282 total cpu time spent up to now is 103.3 secs Computing kpt #: 283 total cpu time spent up to now is 103.7 secs Computing kpt #: 284 total cpu time spent up to now is 104.1 secs Computing kpt #: 285 total cpu time spent up to now is 104.5 secs Computing kpt #: 286 total cpu time spent up to now is 105.0 secs Computing kpt #: 287 total cpu time spent up to now is 105.4 secs Computing kpt #: 288 total cpu time spent up to now is 105.9 secs Computing kpt #: 289 total cpu time spent up to now is 106.3 secs Computing kpt #: 290 total cpu time spent up to now is 106.7 secs Computing kpt #: 291 total cpu time spent up to now is 107.1 secs Computing kpt #: 292 total cpu time spent up to now is 107.5 secs Computing kpt #: 293 total cpu time spent up to now is 107.9 secs Computing kpt #: 294 total cpu time spent up to now is 108.2 secs Computing kpt #: 295 total cpu time spent up to now is 108.6 secs Computing kpt #: 296 total cpu time spent up to now is 109.0 secs Computing kpt #: 297 total cpu time spent up to now is 109.4 secs Computing kpt #: 298 total cpu time spent up to now is 109.8 secs Computing kpt #: 299 total cpu time spent up to now is 110.2 secs Computing kpt #: 300 total cpu time spent up to now is 110.6 secs Computing kpt #: 301 total cpu time spent up to now is 111.1 secs Computing kpt #: 302 total cpu time spent up to now is 111.4 secs Computing kpt #: 303 total cpu time spent up to now is 111.8 secs Computing kpt #: 304 total cpu time spent up to now is 112.2 secs Computing kpt #: 305 total cpu time spent up to now is 112.6 secs Computing kpt #: 306 total cpu time spent up to now is 113.0 secs Computing kpt #: 307 total cpu time spent up to now is 113.3 secs Computing kpt #: 308 total cpu time spent up to now is 113.7 secs Computing kpt #: 309 total cpu time spent up to now is 114.1 secs Computing kpt #: 310 total cpu time spent up to now is 114.5 secs Computing kpt #: 311 total cpu time spent up to now is 114.8 secs Computing kpt #: 312 total cpu time spent up to now is 115.1 secs Computing kpt #: 313 total cpu time spent up to now is 115.5 secs Computing kpt #: 314 total cpu time spent up to now is 115.8 secs Computing kpt #: 315 total cpu time spent up to now is 116.2 secs Computing kpt #: 316 total cpu time spent up to now is 116.5 secs Computing kpt #: 317 total cpu time spent up to now is 116.8 secs Computing kpt #: 318 total cpu time spent up to now is 117.2 secs Computing kpt #: 319 total cpu time spent up to now is 117.5 secs Computing kpt #: 320 total cpu time spent up to now is 117.9 secs Computing kpt #: 321 total cpu time spent up to now is 118.2 secs Computing kpt #: 322 total cpu time spent up to now is 118.5 secs Computing kpt #: 323 total cpu time spent up to now is 118.9 secs Computing kpt #: 324 total cpu time spent up to now is 119.3 secs Computing kpt #: 325 total cpu time spent up to now is 119.7 secs Computing kpt #: 326 total cpu time spent up to now is 120.0 secs Computing kpt #: 327 total cpu time spent up to now is 120.3 secs Computing kpt #: 328 total cpu time spent up to now is 120.7 secs Computing kpt #: 329 total cpu time spent up to now is 121.1 secs Computing kpt #: 330 total cpu time spent up to now is 121.5 secs Computing kpt #: 331 total cpu time spent up to now is 121.8 secs Computing kpt #: 332 total cpu time spent up to now is 122.2 secs Computing kpt #: 333 total cpu time spent up to now is 122.5 secs Computing kpt #: 334 total cpu time spent up to now is 122.9 secs Computing kpt #: 335 total cpu time spent up to now is 123.3 secs Computing kpt #: 336 total cpu time spent up to now is 123.6 secs Computing kpt #: 337 total cpu time spent up to now is 123.9 secs Computing kpt #: 338 total cpu time spent up to now is 124.3 secs Computing kpt #: 339 total cpu time spent up to now is 124.7 secs Computing kpt #: 340 total cpu time spent up to now is 125.0 secs Computing kpt #: 341 total cpu time spent up to now is 125.3 secs Computing kpt #: 342 total cpu time spent up to now is 125.7 secs Computing kpt #: 343 total cpu time spent up to now is 126.0 secs Computing kpt #: 344 total cpu time spent up to now is 126.4 secs Computing kpt #: 345 total cpu time spent up to now is 126.7 secs Computing kpt #: 346 total cpu time spent up to now is 127.1 secs ethr = 3.57E-08, avg # of iterations = 16.7 total cpu time spent up to now is 127.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.5923 -10.5923 -10.5923 -10.5923 -9.5990 -9.5990 -9.5531 -9.5531 -9.5531 -9.5531 1.2457 1.2457 7.7531 7.7531 7.9289 7.9289 7.9289 7.9289 9.0070 9.0070 9.0070 9.0070 11.2616 11.2616 11.2616 11.2616 11.2901 11.2901 12.9968 12.9968 12.9968 12.9968 14.8291 14.8291 15.6738 15.6738 k = 0.0096-0.0056 0.0079 ( 2277 PWs) bands (ev): -10.5925 -10.5925 -10.5921 -10.5921 -9.5990 -9.5990 -9.5533 -9.5533 -9.5528 -9.5528 1.2471 1.2471 7.7531 7.7531 7.9279 7.9279 7.9299 7.9299 9.0063 9.0063 9.0086 9.0086 11.2595 11.2595 11.2609 11.2609 11.2889 11.2889 12.9888 12.9888 12.9970 12.9970 14.8321 14.8321 15.6767 15.6767 k = 0.0192-0.0111 0.0157 ( 2277 PWs) bands (ev): -10.5928 -10.5928 -10.5919 -10.5919 -9.5990 -9.5990 -9.5536 -9.5536 -9.5525 -9.5525 1.2514 1.2514 7.7530 7.7530 7.9252 7.9252 7.9329 7.9329 9.0064 9.0064 9.0113 9.0113 11.2544 11.2544 11.2574 11.2574 11.2854 11.2854 12.9650 12.9650 12.9975 12.9975 14.8413 14.8413 15.6848 15.6848 k = 0.0288-0.0167 0.0236 ( 2269 PWs) bands (ev): -10.5930 -10.5930 -10.5917 -10.5917 -9.5990 -9.5990 -9.5538 -9.5538 -9.5523 -9.5523 1.2586 1.2586 7.7524 7.7524 7.9213 7.9213 7.9378 7.9378 9.0070 9.0070 9.0153 9.0153 11.2465 11.2465 11.2511 11.2511 11.2796 11.2796 12.9262 12.9262 12.9985 12.9985 14.8568 14.8568 15.6962 15.6962 k = 0.0385-0.0222 0.0314 ( 2265 PWs) bands (ev): -10.5932 -10.5932 -10.5915 -10.5915 -9.5991 -9.5991 -9.5541 -9.5541 -9.5520 -9.5520 1.2686 1.2686 7.7506 7.7506 7.9170 7.9170 7.9446 7.9446 9.0082 9.0082 9.0205 9.0205 11.2358 11.2358 11.2422 11.2422 11.2716 11.2716 12.8736 12.8736 12.9999 12.9999 14.8789 14.8789 15.7087 15.7087 k = 0.0481-0.0278 0.0393 ( 2277 PWs) bands (ev): -10.5935 -10.5935 -10.5913 -10.5913 -9.5992 -9.5992 -9.5543 -9.5543 -9.5518 -9.5518 1.2814 1.2814 7.7465 7.7465 7.9131 7.9131 7.9533 7.9533 9.0097 9.0097 9.0269 9.0269 11.2222 11.2222 11.2306 11.2306 11.2616 11.2616 12.8085 12.8085 13.0016 13.0016 14.9076 14.9076 15.7202 15.7202 k = 0.0577-0.0333 0.0471 ( 2285 PWs) bands (ev): -10.5938 -10.5938 -10.5912 -10.5912 -9.5993 -9.5993 -9.5546 -9.5546 -9.5515 -9.5515 1.2970 1.2970 7.7390 7.7390 7.9112 7.9112 7.9639 7.9639 9.0116 9.0116 9.0347 9.0347 11.2060 11.2060 11.2164 11.2164 11.2497 11.2497 12.7326 12.7326 13.0037 13.0037 14.9431 14.9431 15.7296 15.7296 k = 0.0673-0.0389 0.0550 ( 2285 PWs) bands (ev): -10.5941 -10.5941 -10.5910 -10.5910 -9.5994 -9.5994 -9.5548 -9.5548 -9.5512 -9.5512 1.3155 1.3155 7.7272 7.7272 7.9123 7.9123 7.9765 7.9765 9.0138 9.0138 9.0436 9.0436 11.1873 11.1873 11.1997 11.1997 11.2361 11.2361 12.6477 12.6477 13.0062 13.0062 14.9852 14.9852 15.7363 15.7363 k = 0.0769-0.0444 0.0628 ( 2297 PWs) bands (ev): -10.5943 -10.5943 -10.5909 -10.5909 -9.5995 -9.5995 -9.5550 -9.5550 -9.5510 -9.5510 1.3367 1.3367 7.7103 7.7103 7.9171 7.9171 7.9910 7.9910 9.0164 9.0164 9.0537 9.0537 11.1663 11.1663 11.1806 11.1806 11.2210 11.2210 12.5553 12.5553 13.0090 13.0090 15.0334 15.0334 15.7396 15.7396 k = 0.0865-0.0500 0.0707 ( 2297 PWs) bands (ev): -10.5946 -10.5946 -10.5908 -10.5908 -9.5996 -9.5996 -9.5552 -9.5552 -9.5508 -9.5508 1.3606 1.3606 7.6884 7.6884 7.9259 7.9259 8.0074 8.0074 9.0193 9.0193 9.0648 9.0648 11.1432 11.1432 11.1593 11.1593 11.2045 11.2045 12.4571 12.4571 13.0122 13.0122 15.0875 15.0875 15.7392 15.7392 k = 0.0962-0.0555 0.0785 ( 2297 PWs) bands (ev): -10.5949 -10.5949 -10.5907 -10.5907 -9.5998 -9.5998 -9.5554 -9.5554 -9.5505 -9.5505 1.3873 1.3873 7.6620 7.6620 7.9383 7.9383 8.0256 8.0256 9.0225 9.0225 9.0768 9.0768 11.1182 11.1182 11.1359 11.1359 11.1865 11.1865 12.3547 12.3547 13.0158 13.0158 15.1468 15.1468 15.7343 15.7343 k = 0.1058-0.0611 0.0864 ( 2297 PWs) bands (ev): -10.5951 -10.5951 -10.5906 -10.5906 -9.6000 -9.6000 -9.5555 -9.5555 -9.5503 -9.5503 1.4166 1.4166 7.6315 7.6315 7.9540 7.9540 8.0457 8.0457 9.0261 9.0261 9.0896 9.0896 11.0915 11.0915 11.1106 11.1106 11.1670 11.1670 12.2495 12.2495 13.0197 13.0197 15.2107 15.2107 15.7243 15.7243 k = 0.1154-0.0666 0.0942 ( 2297 PWs) bands (ev): -10.5954 -10.5954 -10.5905 -10.5905 -9.6001 -9.6001 -9.5557 -9.5557 -9.5501 -9.5501 1.4485 1.4485 7.5976 7.5976 7.9726 7.9726 8.0675 8.0675 9.0299 9.0299 9.1032 9.1032 11.0632 11.0632 11.0835 11.0835 11.1458 11.1458 12.1429 12.1429 13.0240 13.0240 15.2785 15.2785 15.7085 15.7085 k = 0.1250-0.0722 0.1021 ( 2285 PWs) bands (ev): -10.5957 -10.5957 -10.5904 -10.5904 -9.6003 -9.6003 -9.5558 -9.5558 -9.5498 -9.5498 1.4830 1.4830 7.5606 7.5606 7.9939 7.9939 8.0912 8.0912 9.0340 9.0340 9.1174 9.1174 11.0336 11.0336 11.0548 11.0548 11.1227 11.1227 12.0365 12.0365 13.0287 13.0287 15.3496 15.3496 15.6863 15.6863 k = 0.1346-0.0777 0.1099 ( 2293 PWs) bands (ev): -10.5959 -10.5959 -10.5904 -10.5904 -9.6005 -9.6005 -9.5560 -9.5560 -9.5496 -9.5496 1.5200 1.5200 7.5209 7.5209 8.0174 8.0174 8.1166 8.1166 9.0384 9.0384 9.1320 9.1320 11.0027 11.0027 11.0247 11.0247 11.0970 11.0970 11.9317 11.9317 13.0336 13.0336 15.4232 15.4232 15.6572 15.6572 k = 0.1442-0.0833 0.1178 ( 2293 PWs) bands (ev): -10.5962 -10.5962 -10.5903 -10.5903 -9.6007 -9.6007 -9.5561 -9.5561 -9.5494 -9.5494 1.5595 1.5595 7.4789 7.4789 8.0432 8.0432 8.1438 8.1438 9.0430 9.0430 9.1470 9.1470 10.9707 10.9707 10.9934 10.9934 11.0684 11.0684 11.8301 11.8301 13.0389 13.0389 15.4983 15.4983 15.6207 15.6207 k = 0.1538-0.0888 0.1256 ( 2285 PWs) bands (ev): -10.5964 -10.5964 -10.5903 -10.5903 -9.6009 -9.6009 -9.5562 -9.5562 -9.5492 -9.5492 1.6013 1.6013 7.4349 7.4349 8.0710 8.0710 8.1726 8.1726 9.0478 9.0478 9.1622 9.1622 10.9378 10.9378 10.9610 10.9610 11.0359 11.0359 11.7336 11.7336 13.0446 13.0446 15.5724 15.5724 15.5769 15.5769 k = 0.1635-0.0944 0.1335 ( 2285 PWs) bands (ev): -10.5967 -10.5967 -10.5903 -10.5903 -9.6012 -9.6012 -9.5563 -9.5563 -9.5491 -9.5491 1.6455 1.6455 7.3892 7.3892 8.1006 8.1006 8.2031 8.2031 9.0529 9.0529 9.1775 9.1775 10.9035 10.9035 10.9275 10.9275 10.9988 10.9988 11.6441 11.6441 13.0505 13.0505 15.5251 15.5251 15.6116 15.6116 k = 0.1731-0.0999 0.1413 ( 2277 PWs) bands (ev): -10.5969 -10.5969 -10.5902 -10.5902 -9.6014 -9.6014 -9.5564 -9.5564 -9.5489 -9.5489 1.6919 1.6919 7.3419 7.3419 8.1321 8.1321 8.2351 8.2351 9.0582 9.0582 9.1928 9.1928 10.8671 10.8671 10.8930 10.8930 10.9570 10.9570 11.5633 11.5633 13.0567 13.0567 15.4662 15.4662 15.5609 15.5609 k = 0.1827-0.1055 0.1492 ( 2281 PWs) bands (ev): -10.5972 -10.5972 -10.5903 -10.5903 -9.6017 -9.6017 -9.5564 -9.5564 -9.5487 -9.5487 1.7405 1.7405 7.2932 7.2932 8.1652 8.1652 8.2687 8.2687 9.0636 9.0636 9.2080 9.2080 10.8264 10.8264 10.8577 10.8577 10.9116 10.9116 11.4929 11.4929 13.0631 13.0631 15.4002 15.4002 15.4944 15.4944 k = 0.1923-0.1110 0.1570 ( 2277 PWs) bands (ev): -10.5974 -10.5974 -10.5903 -10.5903 -9.6019 -9.6019 -9.5565 -9.5565 -9.5486 -9.5486 1.7911 1.7911 7.2434 7.2434 8.2000 8.2000 8.3037 8.3037 9.0691 9.0691 9.2230 9.2230 10.7774 10.7774 10.8224 10.8224 10.8663 10.8663 11.4336 11.4336 13.0699 13.0699 15.3277 15.3277 15.4208 15.4208 k = 0.2019-0.1166 0.1649 ( 2285 PWs) bands (ev): -10.5977 -10.5977 -10.5904 -10.5904 -9.6022 -9.6022 -9.5565 -9.5565 -9.5485 -9.5485 1.8437 1.8437 7.1927 7.1927 8.2362 8.2362 8.3402 8.3402 9.0748 9.0748 9.2373 9.2373 10.7167 10.7167 10.7880 10.7880 10.8243 10.8243 11.3850 11.3850 13.0768 13.0768 15.2493 15.2493 15.3412 15.3412 k = 0.2115-0.1221 0.1727 ( 2281 PWs) bands (ev): -10.5979 -10.5979 -10.5904 -10.5904 -9.6024 -9.6024 -9.5566 -9.5566 -9.5483 -9.5483 1.8982 1.8982 7.1412 7.1412 8.2738 8.2738 8.3780 8.3780 9.0806 9.0806 9.2512 9.2512 10.6455 10.6455 10.7548 10.7548 10.7861 10.7861 11.3461 11.3461 13.0840 13.0840 15.1656 15.1656 15.2565 15.2565 k = 0.2212-0.1277 0.1806 ( 2281 PWs) bands (ev): -10.5981 -10.5981 -10.5905 -10.5905 -9.6027 -9.6027 -9.5566 -9.5566 -9.5482 -9.5482 1.9545 1.9545 7.0890 7.0890 8.3126 8.3126 8.4170 8.4170 9.0865 9.0865 9.2643 9.2643 10.5671 10.5671 10.7227 10.7227 10.7505 10.7505 11.3152 11.3152 13.0914 13.0914 15.0774 15.0774 15.1674 15.1674 k = 0.2308-0.1332 0.1884 ( 2281 PWs) bands (ev): -10.5983 -10.5983 -10.5906 -10.5906 -9.6030 -9.6030 -9.5566 -9.5566 -9.5481 -9.5481 2.0124 2.0124 7.0363 7.0363 8.3527 8.3527 8.4572 8.4572 9.0924 9.0924 9.2766 9.2766 10.4845 10.4845 10.6917 10.6917 10.7168 10.7168 11.2911 11.2911 13.0989 13.0989 14.9852 14.9852 15.0744 15.0744 k = 0.2404-0.1388 0.1963 ( 2293 PWs) bands (ev): -10.5985 -10.5985 -10.5907 -10.5907 -9.6033 -9.6033 -9.5566 -9.5566 -9.5481 -9.5481 2.0719 2.0719 6.9832 6.9832 8.3938 8.3938 8.4985 8.4985 9.0984 9.0984 9.2877 9.2877 10.3999 10.3999 10.6617 10.6617 10.6843 10.6843 11.2722 11.2722 13.1066 13.1066 14.8897 14.8897 14.9782 14.9782 k = 0.2500-0.1443 0.2041 ( 2293 PWs) bands (ev): -10.5987 -10.5987 -10.5908 -10.5908 -9.6036 -9.6036 -9.5566 -9.5566 -9.5480 -9.5480 2.1327 2.1327 6.9298 6.9298 8.4358 8.4358 8.5407 8.5407 9.1044 9.1044 9.2978 9.2978 10.3149 10.3149 10.6329 10.6329 10.6532 10.6532 11.2576 11.2576 13.1144 13.1144 14.7917 14.7917 14.8794 14.8794 k = 0.2596-0.1499 0.2120 ( 2293 PWs) bands (ev): -10.5989 -10.5989 -10.5910 -10.5910 -9.6039 -9.6039 -9.5566 -9.5566 -9.5479 -9.5479 2.1948 2.1948 6.8764 6.8764 8.4786 8.4786 8.5838 8.5838 9.1104 9.1104 9.3065 9.3065 10.2307 10.2307 10.6054 10.6054 10.6233 10.6233 11.2466 11.2466 13.1224 13.1224 14.6916 14.6916 14.7785 14.7785 k = 0.2692-0.1554 0.2198 ( 2293 PWs) bands (ev): -10.5990 -10.5990 -10.5911 -10.5911 -9.6041 -9.6041 -9.5565 -9.5565 -9.5479 -9.5479 2.2580 2.2580 6.8229 6.8229 8.5220 8.5220 8.6276 8.6276 9.1163 9.1163 9.3138 9.3138 10.1483 10.1483 10.5793 10.5793 10.5946 10.5946 11.2385 11.2385 13.1304 13.1304 14.5900 14.5900 14.6760 14.6760 k = 0.2788-0.1610 0.2277 ( 2293 PWs) bands (ev): -10.5992 -10.5992 -10.5913 -10.5913 -9.6044 -9.6044 -9.5565 -9.5565 -9.5478 -9.5478 2.3221 2.3221 6.7694 6.7694 8.5659 8.5659 8.6720 8.6720 9.1222 9.1222 9.3196 9.3196 10.0682 10.0682 10.5545 10.5545 10.5674 10.5674 11.2330 11.2330 13.1384 13.1384 14.4876 14.4876 14.5724 14.5724 k = 0.2885-0.1665 0.2355 ( 2305 PWs) bands (ev): -10.5993 -10.5993 -10.5915 -10.5915 -9.6047 -9.6047 -9.5565 -9.5565 -9.5478 -9.5478 2.3870 2.3870 6.7162 6.7162 8.6101 8.6101 8.7167 8.7167 9.1281 9.1281 9.3236 9.3236 9.9909 9.9909 10.5311 10.5311 10.5418 10.5418 11.2295 11.2295 13.1464 13.1464 14.3846 14.3846 14.4682 14.4682 k = 0.2981-0.1721 0.2434 ( 2297 PWs) bands (ev): -10.5995 -10.5995 -10.5916 -10.5916 -9.6050 -9.6050 -9.5564 -9.5564 -9.5477 -9.5477 2.4524 2.4524 6.6632 6.6632 8.6543 8.6543 8.7618 8.7618 9.1339 9.1339 9.3259 9.3259 9.9171 9.9171 10.5091 10.5091 10.5182 10.5182 11.2280 11.2280 13.1544 13.1544 14.2817 14.2817 14.3638 14.3638 k = 0.3077-0.1776 0.2512 ( 2297 PWs) bands (ev): -10.5996 -10.5996 -10.5918 -10.5918 -9.6053 -9.6053 -9.5564 -9.5564 -9.5477 -9.5477 2.5182 2.5182 6.6106 6.6106 8.6984 8.6984 8.8068 8.8068 9.1395 9.1395 9.3262 9.3262 9.8469 9.8469 10.4881 10.4881 10.4971 10.4971 11.2281 11.2281 13.1624 13.1624 14.1792 14.1792 14.2597 14.2597 k = 0.3173-0.1832 0.2591 ( 2289 PWs) bands (ev): -10.5997 -10.5997 -10.5920 -10.5920 -9.6055 -9.6055 -9.5563 -9.5563 -9.5477 -9.5477 2.5841 2.5841 6.5586 6.5586 8.7422 8.7422 8.8516 8.8516 9.1450 9.1450 9.3247 9.3247 9.7807 9.7807 10.4680 10.4680 10.4789 10.4789 11.2296 11.2296 13.1702 13.1702 14.0775 14.0775 14.1563 14.1563 k = 0.3269-0.1887 0.2669 ( 2297 PWs) bands (ev): -10.5998 -10.5998 -10.5922 -10.5922 -9.6058 -9.6058 -9.5563 -9.5563 -9.5477 -9.5477 2.6499 2.6499 6.5071 6.5071 8.7852 8.7852 8.8960 8.8960 9.1504 9.1504 9.3210 9.3210 9.7188 9.7188 10.4490 10.4490 10.4633 10.4633 11.2324 11.2324 13.1779 13.1779 13.9772 13.9772 14.0539 14.0539 k = 0.3365-0.1943 0.2748 ( 2297 PWs) bands (ev): -10.5998 -10.5998 -10.5924 -10.5924 -9.6060 -9.6060 -9.5562 -9.5562 -9.5477 -9.5477 2.7153 2.7153 6.4565 6.4565 8.8274 8.8274 8.9395 8.9395 9.1557 9.1557 9.3155 9.3155 9.6614 9.6614 10.4316 10.4316 10.4503 10.4503 11.2364 11.2364 13.1854 13.1854 13.8785 13.8785 13.9531 13.9531 k = 0.3462-0.1999 0.2826 ( 2293 PWs) bands (ev): -10.5999 -10.5999 -10.5926 -10.5926 -9.6063 -9.6063 -9.5561 -9.5561 -9.5477 -9.5477 2.7801 2.7801 6.4067 6.4067 8.8684 8.8684 8.9819 8.9819 9.1609 9.1609 9.3080 9.3080 9.6088 9.6088 10.4160 10.4160 10.4398 10.4398 11.2413 11.2413 13.1926 13.1926 13.7818 13.7818 13.8541 13.8541 k = 0.3558-0.2054 0.2905 ( 2297 PWs) bands (ev): -10.5999 -10.5999 -10.5928 -10.5928 -9.6065 -9.6065 -9.5561 -9.5561 -9.5477 -9.5477 2.8439 2.8439 6.3580 6.3580 8.9079 8.9079 9.0225 9.0225 9.1663 9.1663 9.2986 9.2986 9.5610 9.5610 10.4023 10.4023 10.4318 10.4318 11.2469 11.2469 13.1996 13.1996 13.6876 13.6876 13.7575 13.7575 k = 0.3654-0.2110 0.2983 ( 2305 PWs) bands (ev): -10.6000 -10.6000 -10.5930 -10.5930 -9.6067 -9.6067 -9.5561 -9.5561 -9.5477 -9.5477 2.9065 2.9065 6.3104 6.3104 8.9455 8.9455 9.0604 9.0604 9.1722 9.1722 9.2877 9.2877 9.5181 9.5181 10.3906 10.3906 10.4262 10.4262 11.2532 11.2532 13.2061 13.2061 13.5963 13.5963 13.6636 13.6636 k = 0.3750-0.2165 0.3062 ( 2297 PWs) bands (ev): -10.6000 -10.6000 -10.5932 -10.5932 -9.6069 -9.6069 -9.5560 -9.5560 -9.5477 -9.5477 2.9675 2.9675 6.2644 6.2644 8.9811 8.9811 9.0942 9.0942 9.1797 9.1797 9.2759 9.2759 9.4802 9.4802 10.3811 10.3811 10.4231 10.4231 11.2600 11.2600 13.2120 13.2120 13.5083 13.5083 13.5730 13.5730 k = 0.3846-0.2221 0.3140 ( 2313 PWs) bands (ev): -10.6001 -10.6001 -10.5935 -10.5935 -9.6071 -9.6071 -9.5560 -9.5560 -9.5477 -9.5477 3.0266 3.0266 6.2199 6.2199 9.0141 9.0141 9.1206 9.1206 9.1908 9.1908 9.2641 9.2641 9.4468 9.4468 10.3736 10.3736 10.4223 10.4223 11.2672 11.2672 13.2171 13.2171 13.4242 13.4242 13.4863 13.4863 k = 0.3942-0.2276 0.3219 ( 2313 PWs) bands (ev): -10.6001 -10.6001 -10.5937 -10.5937 -9.6073 -9.6073 -9.5559 -9.5559 -9.5477 -9.5477 3.0833 3.0833 6.1773 6.1773 9.0443 9.0443 9.1369 9.1369 9.2073 9.2073 9.2542 9.2542 9.4179 9.4179 10.3682 10.3682 10.4237 10.4237 11.2745 11.2745 13.2206 13.2206 13.3445 13.3445 13.4044 13.4044 k = 0.4038-0.2332 0.3297 ( 2313 PWs) bands (ev): -10.6001 -10.6001 -10.5939 -10.5939 -9.6075 -9.6075 -9.5559 -9.5559 -9.5477 -9.5477 3.1372 3.1372 6.1368 6.1368 9.0711 9.0711 9.1440 9.1440 9.2226 9.2226 9.2523 9.2523 9.3929 9.3929 10.3648 10.3648 10.4271 10.4271 11.2819 11.2819 13.2190 13.2190 13.2711 13.2711 13.3300 13.3300 k = 0.4135-0.2387 0.3376 ( 2305 PWs) bands (ev): -10.6000 -10.6000 -10.5940 -10.5940 -9.6076 -9.6076 -9.5558 -9.5558 -9.5477 -9.5477 3.1880 3.1880 6.0988 6.0988 9.0934 9.0934 9.1460 9.1460 9.2245 9.2245 9.2673 9.2673 9.3718 9.3718 10.3632 10.3632 10.4323 10.4323 11.2891 11.2891 13.1893 13.1893 13.2164 13.2164 13.2748 13.2748 k = 0.4231-0.2443 0.3454 ( 2301 PWs) bands (ev): -10.6000 -10.6000 -10.5942 -10.5942 -9.6077 -9.6077 -9.5557 -9.5557 -9.5477 -9.5477 3.2351 3.2351 6.0635 6.0635 9.1088 9.1088 9.1478 9.1478 9.2215 9.2215 9.2877 9.2877 9.3550 9.3550 10.3633 10.3633 10.4388 10.4388 11.2961 11.2961 13.1291 13.1291 13.1649 13.1649 13.2575 13.2575 k = 0.4327-0.2498 0.3533 ( 2301 PWs) bands (ev): -10.6000 -10.6000 -10.5943 -10.5943 -9.6078 -9.6078 -9.5557 -9.5557 -9.5478 -9.5478 3.2781 3.2781 6.0312 6.0312 9.1142 9.1142 9.1540 9.1540 9.2192 9.2192 9.3039 9.3039 9.3448 9.3448 10.3646 10.3646 10.4463 10.4463 11.3027 11.3027 13.0713 13.0713 13.1068 13.1068 13.2560 13.2560 k = 0.4423-0.2554 0.3611 ( 2301 PWs) bands (ev): -10.6000 -10.6000 -10.5945 -10.5945 -9.6080 -9.6080 -9.5557 -9.5557 -9.5478 -9.5478 3.3165 3.3165 6.0023 6.0023 9.1121 9.1121 9.1634 9.1634 9.2181 9.2181 9.3080 9.3080 9.3476 9.3476 10.3670 10.3670 10.4543 10.4543 11.3087 11.3087 13.0196 13.0196 13.0525 13.0525 13.2575 13.2575 k = 0.4519-0.2609 0.3690 ( 2301 PWs) bands (ev): -10.6000 -10.6000 -10.5946 -10.5946 -9.6080 -9.6080 -9.5556 -9.5556 -9.5478 -9.5478 3.3500 3.3500 5.9771 5.9771 9.1075 9.1075 9.1720 9.1720 9.2178 9.2178 9.3033 9.3033 9.3594 9.3594 10.3700 10.3700 10.4622 10.4622 11.3140 11.3140 12.9750 12.9750 13.0044 13.0044 13.2595 13.2595 k = 0.4615-0.2665 0.3768 ( 2301 PWs) bands (ev): -10.5999 -10.5999 -10.5947 -10.5947 -9.6081 -9.6081 -9.5556 -9.5556 -9.5478 -9.5478 3.3780 3.3780 5.9560 5.9560 9.1027 9.1027 9.1781 9.1781 9.2180 9.2180 9.2979 9.2979 9.3717 9.3717 10.3731 10.3731 10.4696 10.4696 11.3186 11.3186 12.9379 12.9379 12.9636 12.9636 13.2616 13.2616 k = 0.4712-0.2720 0.3847 ( 2293 PWs) bands (ev): -10.5999 -10.5999 -10.5948 -10.5948 -9.6082 -9.6082 -9.5556 -9.5556 -9.5478 -9.5478 3.4003 3.4003 5.9392 5.9392 9.0986 9.0986 9.1818 9.1818 9.2185 9.2185 9.2941 9.2941 9.3820 9.3820 10.3762 10.3762 10.4760 10.4760 11.3222 11.3222 12.9088 12.9088 12.9309 12.9309 13.2633 13.2633 k = 0.4808-0.2776 0.3925 ( 2285 PWs) bands (ev): -10.5999 -10.5999 -10.5948 -10.5948 -9.6082 -9.6082 -9.5555 -9.5555 -9.5478 -9.5478 3.4164 3.4164 5.9270 5.9270 9.0957 9.0957 9.1836 9.1836 9.2189 9.2189 9.2919 9.2919 9.3896 9.3896 10.3786 10.3786 10.4808 10.4808 11.3249 11.3249 12.8880 12.8880 12.9070 12.9070 13.2645 13.2645 k = 0.4904-0.2831 0.4004 ( 2285 PWs) bands (ev): -10.5999 -10.5999 -10.5949 -10.5949 -9.6082 -9.6082 -9.5555 -9.5555 -9.5478 -9.5478 3.4262 3.4262 5.9196 5.9196 9.0938 9.0938 9.1843 9.1843 9.2191 9.2191 9.2909 9.2909 9.3941 9.3941 10.3802 10.3802 10.4839 10.4839 11.3265 11.3265 12.8756 12.8756 12.8922 12.8922 13.2653 13.2653 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -10.5999 -10.5999 -10.5949 -10.5949 -9.6082 -9.6082 -9.5556 -9.5556 -9.5478 -9.5478 3.4295 3.4295 5.9171 5.9171 9.0932 9.0932 9.1844 9.1844 9.2191 9.2191 9.2905 9.2905 9.3957 9.3957 10.3807 10.3807 10.4849 10.4849 11.3270 11.3270 12.8714 12.8714 12.8873 12.8873 13.2656 13.2656 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -10.5999 -10.5999 -10.5949 -10.5949 -9.6082 -9.6082 -9.5556 -9.5556 -9.5478 -9.5478 3.4295 3.4295 5.9171 5.9171 9.0932 9.0932 9.1844 9.1844 9.2191 9.2191 9.2905 9.2905 9.3957 9.3957 10.3807 10.3807 10.4849 10.4849 11.3270 11.3270 12.8714 12.8714 12.8873 12.8873 13.2656 13.2656 k = 0.5000-0.2776 0.4161 ( 2288 PWs) bands (ev): -10.5999 -10.5999 -10.5953 -10.5945 -9.6085 -9.6080 -9.5560 -9.5551 -9.5481 -9.5475 3.4282 3.4308 5.9178 5.9200 9.0909 9.0953 9.1586 9.2053 9.2180 9.2207 9.2568 9.3152 9.3986 9.4018 10.3755 10.3828 10.4801 10.4859 11.3277 11.3286 12.8599 12.8678 12.8812 12.8893 13.2677 13.2785 k = 0.5000-0.2665 0.4240 ( 2290 PWs) bands (ev): -10.6000 -10.5999 -10.5956 -10.5940 -9.6087 -9.6078 -9.5564 -9.5547 -9.5483 -9.5473 3.4270 3.4320 5.9220 5.9265 9.0882 9.0971 9.1284 9.2037 9.2183 9.2231 9.2348 9.3266 9.4128 9.4140 10.3673 10.3819 10.4715 10.4830 11.3306 11.3324 12.8269 12.8487 12.8825 12.8894 13.2826 13.3005 k = 0.5000-0.2554 0.4318 ( 2296 PWs) bands (ev): -10.6002 -10.5999 -10.5960 -10.5936 -9.6089 -9.6075 -9.5568 -9.5543 -9.5486 -9.5470 3.4258 3.4332 5.9297 5.9365 9.0822 9.0967 9.0985 9.1608 9.2209 9.2264 9.2450 9.3290 9.4263 9.4375 10.3560 10.3782 10.4591 10.4766 11.3355 11.3381 12.7835 12.8149 12.8869 12.8936 13.3021 13.3232 k = 0.5000-0.2443 0.4397 ( 2298 PWs) bands (ev): -10.6004 -10.5999 -10.5962 -10.5931 -9.6092 -9.6073 -9.5572 -9.5539 -9.5489 -9.5468 3.4245 3.4345 5.9409 5.9500 9.0509 9.0858 9.0974 9.1122 9.2235 9.2306 9.2576 9.3282 9.4410 9.4632 10.3418 10.3718 10.4434 10.4671 11.3423 11.3458 12.7360 12.7740 12.8934 12.9008 13.3197 13.3411 k = 0.5000-0.2332 0.4475 ( 2298 PWs) bands (ev): -10.6006 -10.6000 -10.5964 -10.5926 -9.6094 -9.6071 -9.5576 -9.5535 -9.5491 -9.5465 3.4233 3.4357 5.9555 5.9671 9.0075 9.0525 9.0824 9.1024 9.2273 9.2357 9.2693 9.3268 9.4560 9.4885 10.3248 10.3629 10.4246 10.4548 11.3507 11.3551 12.6880 12.7309 12.9018 12.9101 13.3327 13.3533 k = 0.5000-0.2221 0.4554 ( 2300 PWs) bands (ev): -10.6009 -10.6000 -10.5966 -10.5922 -9.6096 -9.6069 -9.5580 -9.5531 -9.5494 -9.5463 3.4221 3.4369 5.9735 5.9877 8.9594 8.9932 9.0795 9.1028 9.2322 9.2418 9.2799 9.3258 9.4708 9.5122 10.3052 10.3518 10.4032 10.4403 11.3606 11.3657 12.6414 12.6882 12.9120 12.9213 13.3412 13.3608 k = 0.5000-0.2110 0.4632 ( 2300 PWs) bands (ev): -10.6012 -10.6001 -10.5967 -10.5917 -9.6099 -9.6067 -9.5584 -9.5527 -9.5497 -9.5460 3.4210 3.4380 5.9948 6.0117 8.9072 8.9297 9.0766 9.1031 9.2383 9.2487 9.2898 9.3254 9.4851 9.5342 10.2832 10.3386 10.3797 10.4240 11.3715 11.3775 12.5972 12.6474 12.9238 12.9342 13.3462 13.3650 k = 0.5000-0.1999 0.4711 ( 2296 PWs) bands (ev): -10.6015 -10.6002 -10.5967 -10.5912 -9.6101 -9.6065 -9.5588 -9.5523 -9.5499 -9.5458 3.4199 3.4392 6.0193 6.0391 8.8512 8.8628 9.0736 9.1032 9.2457 9.2565 9.2991 9.3259 9.4986 9.5544 10.2592 10.3234 10.3549 10.4066 11.3833 11.3901 12.5562 12.6093 12.9370 12.9486 13.3487 13.3670 k = 0.5000-0.1887 0.4789 ( 2292 PWs) bands (ev): -10.6019 -10.6002 -10.5967 -10.5908 -9.6103 -9.6063 -9.5591 -9.5519 -9.5502 -9.5455 3.4188 3.4403 6.0469 6.0697 8.7917 8.7926 9.0707 9.1030 9.2542 9.2651 9.3081 9.3270 9.5111 9.5726 10.2336 10.3062 10.3296 10.3883 11.3957 11.4033 12.5185 12.5743 12.9515 12.9642 13.3495 13.3675 k = 0.5000-0.1776 0.4868 ( 2292 PWs) bands (ev): -10.6023 -10.6003 -10.5967 -10.5903 -9.6105 -9.6061 -9.5595 -9.5516 -9.5504 -9.5453 3.4177 3.4414 6.0774 6.1036 8.7194 8.7290 9.0677 9.1025 9.2639 9.2742 9.3168 9.3291 9.5226 9.5890 10.2066 10.2859 10.3054 10.3697 11.4084 11.4168 12.4842 12.5425 12.9669 12.9808 13.3489 13.3668 k = 0.5000-0.1665 0.4946 ( 2292 PWs) bands (ev): -10.6026 -10.6003 -10.5967 -10.5899 -9.6107 -9.6059 -9.5598 -9.5513 -9.5506 -9.5451 3.4167 3.4424 6.1107 6.1405 8.6435 8.6635 9.0647 9.1018 9.2747 9.2836 9.3253 9.3323 9.5329 9.6037 10.1787 10.2620 10.2837 10.3510 11.4212 11.4304 12.4533 12.5137 12.9832 12.9982 13.3474 13.3655 k = 0.5000-0.1554 0.5025 ( 2292 PWs) bands (ev): -10.6030 -10.6004 -10.5967 -10.5895 -9.6109 -9.6057 -9.5601 -9.5509 -9.5509 -9.5449 3.4158 3.4433 6.1466 6.1804 8.5655 8.5957 9.0617 9.1008 9.2866 9.2929 9.3335 9.3369 9.5420 9.6165 10.1502 10.2356 10.2639 10.3326 11.4338 11.4439 12.4257 12.4881 13.0000 13.0162 13.3453 13.3636 k = 0.5000-0.1443 0.5103 ( 2288 PWs) bands (ev): -10.6033 -10.6005 -10.5967 -10.5891 -9.6110 -9.6056 -9.5604 -9.5511 -9.5506 -9.5447 3.4149 3.4443 6.1849 6.2231 8.4858 8.5260 9.0587 9.0997 9.2994 9.3014 9.3415 9.3435 9.5499 9.6277 10.1217 10.2084 10.2451 10.3146 11.4462 11.4571 12.4011 12.4653 13.0171 13.0345 13.3428 13.3614 k = 0.5000-0.1332 0.5182 ( 2292 PWs) bands (ev): -10.6037 -10.6005 -10.5966 -10.5887 -9.6112 -9.6054 -9.5607 -9.5513 -9.5504 -9.5445 3.4140 3.4451 6.2252 6.2683 8.4047 8.4549 9.0558 9.0985 9.3085 9.3130 9.3493 9.3523 9.5565 9.6372 10.0934 10.1814 10.2268 10.2973 11.4581 11.4699 12.3793 12.4451 13.0341 13.0527 13.3400 13.3590 k = 0.5000-0.1221 0.5260 ( 2292 PWs) bands (ev): -10.6040 -10.6006 -10.5966 -10.5884 -9.6114 -9.6053 -9.5610 -9.5515 -9.5501 -9.5443 3.4132 3.4460 6.2673 6.3158 8.3230 8.3833 9.0531 9.0972 9.3142 9.3274 9.3569 9.3636 9.5618 9.6450 10.0656 10.1551 10.2090 10.2808 11.4694 11.4821 12.3602 12.4275 13.0510 13.0708 13.3369 13.3565 k = 0.5000-0.1110 0.5339 ( 2292 PWs) bands (ev): -10.6043 -10.6006 -10.5966 -10.5881 -9.6115 -9.6051 -9.5612 -9.5517 -9.5499 -9.5442 3.4125 3.4467 6.3108 6.3653 8.2412 8.3117 9.0504 9.0959 9.3186 9.3424 9.3643 9.3768 9.5656 9.6511 10.0388 10.1299 10.1920 10.2653 11.4801 11.4935 12.3435 12.4121 13.0674 13.0883 13.3339 13.3540 k = 0.5000-0.0999 0.5417 ( 2288 PWs) bands (ev): -10.6046 -10.6007 -10.5965 -10.5878 -9.6117 -9.6050 -9.5614 -9.5518 -9.5496 -9.5440 3.4118 3.4474 6.3550 6.4163 8.1600 8.2409 9.0480 9.0947 9.3222 9.3577 9.3716 9.3915 9.5680 9.6555 10.0132 10.1060 10.1757 10.2509 11.4899 11.5042 12.3291 12.3987 13.0830 13.1051 13.3308 13.3516 k = 0.5000-0.0888 0.5496 ( 2288 PWs) bands (ev): -10.6048 -10.6007 -10.5965 -10.5875 -9.6118 -9.6049 -9.5616 -9.5519 -9.5494 -9.5439 3.4112 3.4480 6.3995 6.4683 8.0803 8.1719 9.0457 9.0935 9.3251 9.3718 9.3800 9.4071 9.5689 9.6581 9.9893 10.0839 10.1604 10.2377 11.4990 11.5140 12.3167 12.3873 13.0976 13.1208 13.3279 13.3493 k = 0.5000-0.0777 0.5574 ( 2290 PWs) bands (ev): -10.6050 -10.6007 -10.5964 -10.5873 -9.6119 -9.6048 -9.5618 -9.5521 -9.5492 -9.5438 3.4107 3.4486 6.4434 6.5206 8.0029 8.1057 9.0436 9.0923 9.3276 9.3809 9.3931 9.4233 9.5681 9.6589 9.9673 10.0638 10.1464 10.2259 11.5071 11.5228 12.3061 12.3776 13.1109 13.1354 13.3251 13.3472 k = 0.5000-0.0666 0.5653 ( 2296 PWs) bands (ev): -10.6053 -10.6008 -10.5964 -10.5871 -9.6120 -9.6048 -9.5620 -9.5522 -9.5491 -9.5437 3.4102 3.4491 6.4858 6.5722 7.9291 8.0434 9.0418 9.0913 9.3297 9.3869 9.4088 9.4398 9.5657 9.6578 9.9475 10.0459 10.1337 10.2155 11.5142 11.5305 12.2973 12.3695 13.1229 13.1484 13.3225 13.3454 k = 0.5000-0.0555 0.5731 ( 2292 PWs) bands (ev): -10.6054 -10.6008 -10.5964 -10.5869 -9.6121 -9.6047 -9.5621 -9.5523 -9.5490 -9.5436 3.4098 3.4495 6.5255 6.6219 7.8603 7.9865 9.0402 9.0904 9.3314 9.3918 9.4249 9.4560 9.5618 9.6550 9.9305 10.0304 10.1226 10.2066 11.5203 11.5372 12.2900 12.3628 13.1333 13.1598 13.3203 13.3439 k = 0.5000-0.0444 0.5810 ( 2292 PWs) bands (ev): -10.6056 -10.6008 -10.5963 -10.5868 -9.6122 -9.6046 -9.5622 -9.5524 -9.5489 -9.5435 3.4094 3.4498 6.5612 6.6679 7.7984 7.9365 9.0389 9.0896 9.3328 9.3958 9.4406 9.4715 9.5563 9.6507 9.9163 10.0175 10.1133 10.1992 11.5253 11.5427 12.2842 12.3575 13.1420 13.1694 13.3184 13.3426 k = 0.5000-0.0333 0.5888 ( 2292 PWs) bands (ev): -10.6057 -10.6008 -10.5963 -10.5867 -9.6122 -9.6046 -9.5623 -9.5524 -9.5488 -9.5435 3.4092 3.4501 6.5914 6.7082 7.7457 7.8951 9.0379 9.0890 9.3339 9.3989 9.4555 9.4855 9.5496 9.6454 9.9052 10.0073 10.1058 10.1934 11.5293 11.5470 12.2798 12.3535 13.1488 13.1770 13.3169 13.3417 k = 0.5000-0.0222 0.5967 ( 2292 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5866 -9.6123 -9.6045 -9.5624 -9.5525 -9.5487 -9.5434 3.4090 3.4503 6.6144 6.7399 7.7049 7.8638 9.0371 9.0886 9.3347 9.4012 9.4687 9.4971 9.5423 9.6402 9.8972 10.0000 10.1004 10.1892 11.5321 11.5501 12.2767 12.3506 13.1538 13.1825 13.3157 13.3410 k = 0.5000-0.0111 0.6045 ( 2284 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5865 -9.6123 -9.6045 -9.5624 -9.5525 -9.5487 -9.5434 3.4089 3.4504 6.6289 6.7605 7.6789 7.8444 9.0367 9.0883 9.3352 9.4026 9.4788 9.5049 9.5359 9.6362 9.8925 9.9956 10.0971 10.1868 11.5338 11.5520 12.2749 12.3489 13.1568 13.1859 13.3151 13.3406 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6058 -10.6008 -10.5962 -10.5865 -9.6122 -9.6045 -9.5624 -9.5525 -9.5486 -9.5434 3.4088 3.4504 6.6339 6.7677 7.6699 7.8378 9.0366 9.0883 9.3354 9.4031 9.4829 9.5078 9.5331 9.6347 9.8909 9.9942 10.0961 10.1860 11.5344 11.5527 12.2743 12.3484 13.1578 13.1870 13.3148 13.3405 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6058 -10.6008 -10.5962 -10.5865 -9.6122 -9.6045 -9.5624 -9.5525 -9.5486 -9.5434 3.4088 3.4504 6.6339 6.7677 7.6699 7.8378 9.0366 9.0883 9.3354 9.4031 9.4829 9.5078 9.5331 9.6347 9.8909 9.9942 10.0961 10.1860 11.5344 11.5527 12.2743 12.3484 13.1578 13.1870 13.3148 13.3405 k = 0.4934 0.0114 0.6124 ( 2287 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5865 -9.6123 -9.6045 -9.5624 -9.5525 -9.5487 -9.5434 3.4083 3.4498 6.6321 6.7648 7.6738 7.8406 9.0371 9.0886 9.3326 9.4015 9.4811 9.5048 9.5364 9.6361 9.8929 9.9954 10.0967 10.1864 11.5345 11.5527 12.2745 12.3486 13.1506 13.1814 13.3207 13.3498 k = 0.4868 0.0228 0.6124 ( 2287 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5866 -9.6122 -9.6045 -9.5624 -9.5526 -9.5486 -9.5434 3.4068 3.4482 6.6269 6.7566 7.6851 7.8488 9.0385 9.0897 9.3246 9.3963 9.4763 9.4990 9.5437 9.6408 9.8988 9.9992 10.0986 10.1878 11.5349 11.5530 12.2750 12.3493 13.1318 13.1653 13.3389 13.3738 k = 0.4803 0.0342 0.6124 ( 2291 PWs) bands (ev): -10.6058 -10.6009 -10.5962 -10.5866 -9.6122 -9.6045 -9.5623 -9.5526 -9.5486 -9.5435 3.4044 3.4456 6.6186 6.7437 7.7029 7.8619 9.0407 9.0914 9.3123 9.3865 9.4692 9.4932 9.5523 9.6485 9.9076 10.0052 10.1018 10.1900 11.5355 11.5535 12.2757 12.3502 13.1067 13.1421 13.3674 13.4064 k = 0.4737 0.0456 0.6124 ( 2293 PWs) bands (ev): -10.6057 -10.6009 -10.5961 -10.5867 -9.6122 -9.6045 -9.5623 -9.5527 -9.5486 -9.5435 3.4014 3.4423 6.6077 6.7271 7.7260 7.8794 9.0437 9.0935 9.2967 9.3717 9.4613 9.4874 9.5616 9.6589 9.9184 10.0133 10.1064 10.1933 11.5364 11.5542 12.2766 12.3510 13.0792 13.1154 13.4026 13.4443 k = 0.4671 0.0570 0.6124 ( 2294 PWs) bands (ev): -10.6057 -10.6009 -10.5960 -10.5868 -9.6121 -9.6046 -9.5622 -9.5528 -9.5486 -9.5436 3.3979 3.4385 6.5947 6.7076 7.7534 7.9006 9.0472 9.0959 9.2788 9.3522 9.4537 9.4813 9.5713 9.6709 9.9305 10.0232 10.1124 10.1975 11.5376 11.5552 12.2774 12.3516 13.0510 13.0877 13.4424 13.4858 k = 0.4605 0.0684 0.6124 ( 2295 PWs) bands (ev): -10.6057 -10.6009 -10.5959 -10.5870 -9.6121 -9.6046 -9.5621 -9.5529 -9.5485 -9.5436 3.3940 3.4343 6.5802 6.6864 7.7838 7.9248 9.0510 9.0984 9.2594 9.3291 9.4467 9.4749 9.5814 9.6839 9.9427 10.0347 10.1197 10.2027 11.5389 11.5565 12.2779 12.3514 13.0236 13.0605 13.4857 13.5301 k = 0.4539 0.0798 0.6124 ( 2293 PWs) bands (ev): -10.6056 -10.6009 -10.5958 -10.5871 -9.6120 -9.6046 -9.5619 -9.5530 -9.5485 -9.5437 3.3899 3.4298 6.5646 6.6641 7.8163 7.9514 9.0550 9.1007 9.2392 9.3034 9.4402 9.4681 9.5916 9.6972 9.9545 10.0472 10.1285 10.2088 11.5405 11.5581 12.2777 12.3503 12.9978 13.0346 13.5318 13.5767 k = 0.4474 0.0912 0.6124 ( 2293 PWs) bands (ev): -10.6056 -10.6009 -10.5956 -10.5873 -9.6119 -9.6046 -9.5618 -9.5531 -9.5484 -9.5437 3.3857 3.4251 6.5486 6.6416 7.8498 7.9797 9.0588 9.1026 9.2192 9.2759 9.4343 9.4614 9.6017 9.7103 9.9651 10.0604 10.1388 10.2159 11.5423 11.5599 12.2768 12.3478 12.9742 13.0108 13.5803 13.6254 k = 0.4408 0.1026 0.6124 ( 2295 PWs) bands (ev): -10.6055 -10.6009 -10.5954 -10.5875 -9.6119 -9.6046 -9.5616 -9.5533 -9.5484 -9.5438 3.3815 3.4205 6.5326 6.6195 7.8834 8.0090 9.0621 9.1037 9.2002 9.2475 9.4288 9.4549 9.6114 9.7230 9.9745 10.0735 10.1504 10.2238 11.5443 11.5620 12.2750 12.3438 12.9532 12.9894 13.6310 13.6758 k = 0.4342 0.1140 0.6124 ( 2300 PWs) bands (ev): -10.6055 -10.6009 -10.5952 -10.5877 -9.6118 -9.6047 -9.5615 -9.5534 -9.5483 -9.5439 3.3773 3.4159 6.5170 6.5982 7.9166 8.0386 9.0640 9.1036 9.1835 9.2189 9.4238 9.4487 9.6206 9.7350 9.9825 10.0858 10.1633 10.2323 11.5465 11.5642 12.2721 12.3381 12.9353 12.9708 13.6835 13.7278 k = 0.4276 0.1253 0.6124 ( 2298 PWs) bands (ev): -10.6055 -10.6009 -10.5949 -10.5879 -9.6117 -9.6047 -9.5613 -9.5536 -9.5483 -9.5440 3.3734 3.4116 6.5022 6.5782 7.9485 8.0679 9.0638 9.1025 9.1699 9.1911 9.4192 9.4430 9.6291 9.7461 9.9893 10.0968 10.1773 10.2412 11.5489 11.5665 12.2682 12.3309 12.9204 12.9550 13.7375 13.7811 k = 0.4211 0.1367 0.6124 ( 2296 PWs) bands (ev): -10.6054 -10.6009 -10.5947 -10.5882 -9.6117 -9.6047 -9.5611 -9.5538 -9.5482 -9.5440 3.3698 3.4076 6.4885 6.5599 7.9785 8.0962 9.0601 9.1008 9.1575 9.1674 9.4151 9.4379 9.6367 9.7562 9.9950 10.1063 10.1919 10.2501 11.5514 11.5688 12.2635 12.3225 12.9085 12.9420 13.7927 13.8353 k = 0.4145 0.1481 0.6124 ( 2295 PWs) bands (ev): -10.6054 -10.6009 -10.5944 -10.5884 -9.6116 -9.6047 -9.5610 -9.5539 -9.5482 -9.5441 3.3665 3.4039 6.4761 6.5436 8.0061 8.1228 9.0529 9.0988 9.1368 9.1584 9.4115 9.4334 9.6435 9.7652 9.9996 10.1142 10.2064 10.2586 11.5539 11.5710 12.2584 12.3133 12.8994 12.9317 13.8486 13.8900 k = 0.4079 0.1595 0.6124 ( 2299 PWs) bands (ev): -10.6054 -10.6009 -10.5942 -10.5886 -9.6115 -9.6048 -9.5608 -9.5541 -9.5481 -9.5441 3.3636 3.4007 6.4653 6.5294 8.0307 8.1471 9.0438 9.0931 9.1192 9.1553 9.4084 9.4296 9.6493 9.7729 10.0033 10.1205 10.2203 10.2664 11.5564 11.5730 12.2531 12.3038 12.8927 12.9236 13.9043 13.9445 k = 0.4013 0.1709 0.6124 ( 2300 PWs) bands (ev): -10.6054 -10.6009 -10.5939 -10.5889 -9.6115 -9.6048 -9.5607 -9.5542 -9.5481 -9.5442 3.3611 3.3980 6.4563 6.5175 8.0518 8.1682 9.0348 9.0788 9.1127 9.1540 9.4059 9.4264 9.6541 9.7793 10.0063 10.1254 10.2328 10.2730 11.5588 11.5748 12.2481 12.2947 12.8879 12.9176 13.9586 13.9975 k = 0.3947 0.1823 0.6124 ( 2298 PWs) bands (ev): -10.6054 -10.6009 -10.5937 -10.5891 -9.6115 -9.6048 -9.5605 -9.5543 -9.5481 -9.5442 3.3592 3.3958 6.4491 6.5082 8.0688 8.1856 9.0274 9.0619 9.1119 9.1536 9.4039 9.4240 9.6579 9.7844 10.0086 10.1292 10.2434 10.2783 11.5608 11.5762 12.2439 12.2867 12.8848 12.9134 14.0098 14.0472 k = 0.3882 0.1937 0.6124 ( 2306 PWs) bands (ev): -10.6054 -10.6010 -10.5936 -10.5892 -9.6115 -9.6048 -9.5605 -9.5544 -9.5480 -9.5442 3.3578 3.3943 6.4439 6.5014 8.0813 8.1986 9.0228 9.0470 9.1122 9.1535 9.4024 9.4222 9.6606 9.7880 10.0101 10.1317 10.2516 10.2819 11.5625 11.5772 12.2406 12.2805 12.8828 12.9105 14.0543 14.0904 k = 0.3816 0.2051 0.6124 ( 2305 PWs) bands (ev): -10.6054 -10.6010 -10.5935 -10.5893 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5443 3.3569 3.3933 6.4408 6.4973 8.0890 8.2066 9.0214 9.0361 9.1127 9.1535 9.4015 9.4211 9.6623 9.7902 10.0111 10.1333 10.2568 10.2840 11.5635 11.5778 12.2386 12.2764 12.8818 12.9089 14.0864 14.1215 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.3682 0.2126 0.6012 ( 2307 PWs) bands (ev): -10.6056 -10.6010 -10.5931 -10.5893 -9.6115 -9.6047 -9.5604 -9.5548 -9.5479 -9.5442 3.3436 3.3807 6.4914 6.5529 8.0171 8.1425 8.9951 9.0059 9.1221 9.1590 9.4193 9.4406 9.6677 9.7901 10.0121 10.1268 10.2481 10.2739 11.5859 11.6022 12.1999 12.2370 12.9193 12.9467 14.0971 14.1353 k = 0.3614 0.2086 0.5901 ( 2307 PWs) bands (ev): -10.6058 -10.6009 -10.5928 -10.5893 -9.6114 -9.6046 -9.5604 -9.5550 -9.5478 -9.5441 3.3286 3.3663 6.5436 6.6108 7.9457 8.0783 8.9675 8.9792 9.1323 9.1657 9.4378 9.4607 9.6708 9.7855 10.0173 10.1224 10.2386 10.2638 11.6091 11.6277 12.1621 12.1993 12.9613 12.9891 14.0916 14.1334 k = 0.3545 0.2047 0.5790 ( 2309 PWs) bands (ev): -10.6059 -10.6009 -10.5925 -10.5894 -9.6114 -9.6045 -9.5603 -9.5552 -9.5478 -9.5440 3.3116 3.3497 6.5960 6.6693 7.8780 8.0176 8.9392 8.9515 9.1435 9.1731 9.4566 9.4808 9.6724 9.7784 10.0262 10.1202 10.2301 10.2544 11.6335 11.6546 12.1248 12.1621 13.0073 13.0354 14.0823 14.1277 k = 0.3477 0.2008 0.5678 ( 2309 PWs) bands (ev): -10.6060 -10.6009 -10.5922 -10.5894 -9.6114 -9.6044 -9.5602 -9.5555 -9.5477 -9.5439 3.2924 3.3307 6.6479 6.7277 7.8152 7.9614 8.9103 8.9230 9.1555 9.1813 9.4753 9.5003 9.6729 9.7697 10.0375 10.1202 10.2228 10.2461 11.6593 11.6829 12.0880 12.1253 13.0572 13.0854 14.0697 14.1188 k = 0.3409 0.1968 0.5567 ( 2305 PWs) bands (ev): -10.6061 -10.6009 -10.5918 -10.5895 -9.6113 -9.6043 -9.5601 -9.5557 -9.5477 -9.5438 3.2708 3.3091 6.6987 6.7852 7.7581 7.9107 8.8810 8.8939 9.1682 9.1898 9.4937 9.5186 9.6731 9.7603 10.0506 10.1219 10.2170 10.2391 11.6864 11.7128 12.0517 12.0893 13.1108 13.1390 14.0543 14.1071 k = 0.3341 0.1929 0.5456 ( 2301 PWs) bands (ev): -10.6061 -10.6008 -10.5915 -10.5896 -9.6112 -9.6043 -9.5600 -9.5559 -9.5477 -9.5438 3.2468 3.2849 6.7474 6.8407 7.7080 7.8664 8.8512 8.8643 9.1815 9.1985 9.5114 9.5350 9.6738 9.7510 10.0648 10.1253 10.2129 10.2336 11.7149 11.7443 12.0163 12.0543 13.1678 13.1960 14.0365 14.0931 k = 0.3273 0.1890 0.5344 ( 2305 PWs) bands (ev): -10.6061 -10.6008 -10.5912 -10.5898 -9.6110 -9.6042 -9.5599 -9.5561 -9.5478 -9.5437 3.2203 3.2579 6.7933 6.8928 7.6664 7.8297 8.8212 8.8344 9.1951 9.2073 9.5280 9.5484 9.6759 9.7423 10.0797 10.1299 10.2108 10.2299 11.7444 11.7771 11.9820 12.0206 13.2282 13.2562 14.0169 14.0774 k = 0.3205 0.1850 0.5233 ( 2305 PWs) bands (ev): -10.6060 -10.6008 -10.5909 -10.5900 -9.6109 -9.6041 -9.5597 -9.5563 -9.5479 -9.5437 3.1912 3.2282 6.8352 6.9398 7.6350 7.8015 8.7910 8.8043 9.2089 9.2159 9.5430 9.5580 9.6803 9.7346 10.0950 10.1357 10.2113 10.2285 11.7745 11.8111 11.9492 11.9888 13.2916 13.3195 13.9960 14.0605 k = 0.3136 0.1811 0.5122 ( 2305 PWs) bands (ev): -10.6060 -10.6007 -10.5906 -10.5902 -9.6107 -9.6041 -9.5595 -9.5565 -9.5480 -9.5437 3.1593 3.1955 6.8724 6.9797 7.6157 7.7828 8.7607 8.7740 9.2227 9.2240 9.5560 9.5636 9.6869 9.7283 10.1104 10.1427 10.2148 10.2296 11.8038 11.8441 11.9201 11.9605 13.3578 13.3856 13.9746 14.0431 k = 0.3068 0.1771 0.5010 ( 2305 PWs) bands (ev): -10.6058 -10.6006 -10.5904 -10.5903 -9.6105 -9.6040 -9.5593 -9.5566 -9.5481 -9.5437 3.1248 3.1600 6.9041 7.0108 7.6101 7.7742 8.7303 8.7436 9.2316 9.2362 9.5657 9.5666 9.6952 9.7237 10.1258 10.1510 10.2217 10.2335 11.8282 11.8611 11.9099 11.9398 13.4265 13.4541 13.9533 14.0260 k = 0.3000 0.1732 0.4899 ( 2305 PWs) bands (ev): -10.6056 -10.6006 -10.5906 -10.5901 -9.6103 -9.6040 -9.5591 -9.5568 -9.5482 -9.5436 3.0876 3.1217 6.9299 7.0323 7.6189 7.7760 8.7000 8.7132 9.2383 9.2492 9.5655 9.5745 9.7038 9.7209 10.1410 10.1610 10.2324 10.2402 11.8376 11.8425 11.9370 11.9380 13.4972 13.5248 13.9331 14.0100 k = 0.2932 0.1693 0.4788 ( 2305 PWs) bands (ev): -10.6054 -10.6005 -10.5908 -10.5898 -9.6100 -9.6039 -9.5589 -9.5569 -9.5484 -9.5436 3.0477 3.0806 6.9501 7.0448 7.6410 7.7877 8.6698 8.6830 9.2439 9.2612 9.5640 9.5796 9.7117 9.7199 10.1563 10.1728 10.2472 10.2501 11.8156 11.8266 11.9571 11.9772 13.5694 13.5969 13.9150 13.9962 k = 0.2864 0.1653 0.4676 ( 2309 PWs) bands (ev): -10.6052 -10.6004 -10.5911 -10.5896 -9.6098 -9.6039 -9.5587 -9.5570 -9.5486 -9.5437 3.0053 3.0367 6.9653 7.0502 7.6744 7.8082 8.6399 8.6529 9.2484 9.2720 9.5622 9.5820 9.7179 9.7206 10.1716 10.1868 10.2631 10.2662 11.7885 11.8058 11.9898 12.0193 13.6421 13.6690 13.9011 13.9861 k = 0.2795 0.1614 0.4565 ( 2309 PWs) bands (ev): -10.6049 -10.6004 -10.5913 -10.5893 -9.6095 -9.6039 -9.5584 -9.5571 -9.5488 -9.5437 2.9604 2.9903 6.9765 7.0510 7.7160 7.8363 8.6101 8.6230 9.2515 9.2812 9.5610 9.5820 9.7220 9.7232 10.1872 10.2026 10.2798 10.2893 11.7623 11.7822 12.0275 12.0628 13.7133 13.7370 13.8960 13.9820 k = 0.2727 0.1575 0.4454 ( 2309 PWs) bands (ev): -10.6046 -10.6003 -10.5916 -10.5891 -9.6092 -9.6038 -9.5582 -9.5572 -9.5490 -9.5437 2.9131 2.9415 6.9851 7.0493 7.7630 7.8700 8.5807 8.5935 9.2532 9.2885 9.5608 9.5796 9.7241 9.7275 10.2034 10.2198 10.3006 10.3164 11.7376 11.7585 12.0676 12.1071 13.7791 13.7894 13.9118 13.9884 k = 0.2659 0.1535 0.4342 ( 2309 PWs) bands (ev): -10.6043 -10.6002 -10.5919 -10.5889 -9.6089 -9.6038 -9.5579 -9.5573 -9.5493 -9.5437 2.8636 2.8904 6.9921 7.0471 7.8130 7.9078 8.5517 8.5643 9.2535 9.2935 9.5616 9.5749 9.7249 9.7341 10.2202 10.2379 10.3259 10.3472 11.7144 11.7356 12.1087 12.1515 13.8134 13.8328 13.9618 14.0126 k = 0.2591 0.1496 0.4231 ( 2303 PWs) bands (ev): -10.6039 -10.6001 -10.5921 -10.5886 -9.6085 -9.6037 -9.5576 -9.5574 -9.5495 -9.5437 2.8121 2.8372 6.9988 7.0457 7.8639 7.9478 8.5232 8.5356 9.2523 9.2961 9.5632 9.5680 9.7256 9.7432 10.2378 10.2564 10.3559 10.3815 11.6929 11.7139 12.1499 12.1954 13.8222 13.8691 14.0335 14.0602 k = 0.2523 0.1456 0.4120 ( 2305 PWs) bands (ev): -10.6035 -10.6000 -10.5924 -10.5884 -9.6082 -9.6036 -9.5575 -9.5574 -9.5498 -9.5438 2.7587 2.7822 7.0058 7.0459 7.9142 7.9885 8.4952 8.5073 9.2497 9.2964 9.5587 9.5645 9.7278 9.7556 10.2561 10.2751 10.3903 10.4191 11.6731 11.6937 12.1907 12.2382 13.8299 13.8933 14.1134 14.1264 k = 0.2455 0.1417 0.4008 ( 2305 PWs) bands (ev): -10.6031 -10.5999 -10.5927 -10.5883 -9.6078 -9.6036 -9.5576 -9.5571 -9.5500 -9.5438 2.7038 2.7256 7.0140 7.0484 7.9624 8.0284 8.4679 8.4797 9.2459 9.2943 9.5472 9.5640 9.7337 9.7716 10.2753 10.2941 10.4288 10.4598 11.6553 11.6751 12.2304 12.2792 13.8417 13.9143 14.1967 14.2028 k = 0.2386 0.1378 0.3897 ( 2313 PWs) bands (ev): -10.6027 -10.5998 -10.5929 -10.5881 -9.6075 -9.6035 -9.5576 -9.5568 -9.5503 -9.5439 2.6474 2.6676 7.0238 7.0534 8.0074 8.0664 8.4412 8.4528 9.2408 9.2902 9.5336 9.5603 9.7453 9.7918 10.2951 10.3135 10.4708 10.5032 11.6395 11.6583 12.2683 12.3178 13.8595 13.9372 14.2818 14.2841 k = 0.2318 0.1338 0.3786 ( 2299 PWs) bands (ev): -10.6022 -10.5997 -10.5932 -10.5879 -9.6071 -9.6034 -9.5577 -9.5565 -9.5506 -9.5440 2.5899 2.6084 7.0354 7.0611 8.0482 8.1012 8.4156 8.4268 9.2348 9.2845 9.5182 9.5526 9.7641 9.8164 10.3160 10.3337 10.5158 10.5491 11.6258 11.6435 12.3041 12.3536 13.8844 13.9649 14.3678 14.3680 k = 0.2250 0.1299 0.3674 ( 2299 PWs) bands (ev): -10.6017 -10.5995 -10.5934 -10.5878 -9.6067 -9.6033 -9.5577 -9.5562 -9.5508 -9.5440 2.5314 2.5484 7.0492 7.0716 8.0840 8.1319 8.3909 8.4019 9.2278 9.2773 9.5010 9.5408 9.7903 9.8458 10.3377 10.3546 10.5633 10.5972 11.6143 11.6308 12.3374 12.3860 13.9170 13.9983 14.4529 14.4541 k = 0.2182 0.1260 0.3563 ( 2299 PWs) bands (ev): -10.6012 -10.5994 -10.5936 -10.5877 -9.6063 -9.6033 -9.5577 -9.5560 -9.5511 -9.5441 2.4722 2.4878 7.0652 7.0849 8.1139 8.1575 8.3677 8.3784 9.2200 9.2689 9.4824 9.5255 9.8235 9.8800 10.3603 10.3764 10.6127 10.6470 11.6053 11.6203 12.3679 12.4150 13.9573 14.0381 14.5380 14.5403 k = 0.2114 0.1220 0.3452 ( 2299 PWs) bands (ev): -10.6007 -10.5993 -10.5938 -10.5876 -9.6060 -9.6032 -9.5577 -9.5557 -9.5514 -9.5442 2.4126 2.4267 7.0833 7.1008 8.1373 8.1770 8.3461 8.3568 9.2117 9.2596 9.4626 9.5075 9.8632 9.9191 10.3838 10.3992 10.6636 10.6983 11.5988 11.6122 12.3956 12.4404 14.0052 14.0842 14.6227 14.6258 k = 0.2045 0.1181 0.3340 ( 2295 PWs) bands (ev): -10.6002 -10.5991 -10.5940 -10.5875 -9.6056 -9.6030 -9.5578 -9.5554 -9.5516 -9.5443 2.3527 2.3655 7.1037 7.1193 8.1536 8.1896 8.3268 8.3377 9.2027 9.2496 9.4418 9.4875 9.9086 9.9630 10.4084 10.4231 10.7155 10.7505 11.5952 11.6070 12.4206 12.4626 14.0599 14.1362 14.7065 14.7104 k = 0.1977 0.1142 0.3229 ( 2291 PWs) bands (ev): -10.5997 -10.5990 -10.5942 -10.5874 -9.6052 -9.6029 -9.5578 -9.5551 -9.5519 -9.5445 2.2928 2.3043 7.1262 7.1402 8.1623 8.1946 8.3100 8.3218 9.1934 9.2391 9.4202 9.4661 9.9593 10.0115 10.4339 10.4482 10.7679 10.8032 11.5948 11.6047 12.4430 12.4818 14.1207 14.1935 14.7888 14.7935 k = 0.1909 0.1102 0.3118 ( 2295 PWs) bands (ev): -10.5992 -10.5988 -10.5943 -10.5874 -9.6048 -9.6028 -9.5578 -9.5549 -9.5521 -9.5446 2.2331 2.2435 7.1507 7.1632 8.1635 8.1920 8.2960 8.3091 9.1837 9.2281 9.3981 9.4435 10.0143 10.0642 10.4605 10.4746 10.8201 10.8558 11.5980 11.6060 12.4632 12.4984 14.1865 14.2553 14.8694 14.8750 k = 0.1841 0.1063 0.3006 ( 2295 PWs) bands (ev): -10.5987 -10.5987 -10.5945 -10.5874 -9.6045 -9.6027 -9.5578 -9.5546 -9.5524 -9.5448 2.1739 2.1831 7.1770 7.1883 8.1581 8.1829 8.2842 8.2987 9.1738 9.2169 9.3756 9.4203 10.0733 10.1207 10.4881 10.5022 10.8715 10.9075 11.6053 11.6112 12.4816 12.5132 14.2561 14.3203 14.9479 14.9545 k = 0.1773 0.1023 0.2895 ( 2293 PWs) bands (ev): -10.5985 -10.5982 -10.5946 -10.5874 -9.6041 -9.6025 -9.5578 -9.5544 -9.5526 -9.5449 2.1153 2.1234 7.2050 7.2153 8.1476 8.1692 8.2735 8.2890 9.1638 9.2055 9.3529 9.3966 10.1353 10.1805 10.5168 10.5311 10.9213 10.9577 11.6173 11.6212 12.4987 12.5265 14.3281 14.3875 15.0243 15.0317 k = 0.1705 0.0984 0.2784 ( 2293 PWs) bands (ev): -10.5984 -10.5977 -10.5947 -10.5874 -9.6037 -9.6024 -9.5577 -9.5542 -9.5528 -9.5451 2.0574 2.0647 7.2345 7.2438 8.1336 8.1527 8.2625 8.2788 9.1536 9.1940 9.3303 9.3727 10.1998 10.2430 10.5465 10.5614 10.9686 11.0052 11.6346 11.6367 12.5149 12.5390 14.4011 14.4554 15.0985 15.1067 k = 0.1636 0.0945 0.2672 ( 2293 PWs) bands (ev): -10.5982 -10.5972 -10.5947 -10.5874 -9.6034 -9.6022 -9.5577 -9.5540 -9.5530 -9.5453 2.0006 2.0070 7.2653 7.2737 8.1175 8.1346 8.2505 8.2671 9.1435 9.1825 9.3077 9.3489 10.2659 10.3075 10.5773 10.5931 11.0126 11.0492 11.6580 11.6584 12.5306 12.5512 14.4737 14.5228 15.1704 15.1791 k = 0.1568 0.0905 0.2561 ( 2285 PWs) bands (ev): -10.5980 -10.5967 -10.5947 -10.5874 -9.6030 -9.6020 -9.5576 -9.5537 -9.5531 -9.5455 1.9449 1.9505 7.2972 7.3048 8.1003 8.1158 8.2371 8.2536 9.1334 9.1710 9.2854 9.3252 10.3329 10.3735 10.6091 10.6262 11.0526 11.0889 11.6870 11.6880 12.5464 12.5636 14.5445 14.5884 15.2402 15.2491 k = 0.1500 0.0866 0.2449 ( 2287 PWs) bands (ev): -10.5979 -10.5963 -10.5948 -10.5875 -9.6027 -9.6018 -9.5576 -9.5536 -9.5533 -9.5457 1.8906 1.8954 7.3299 7.3368 8.0827 8.0968 8.2220 8.2383 9.1234 9.1596 9.2634 9.3017 10.4001 10.4403 10.6418 10.6608 11.0880 11.1235 11.7230 11.7249 12.5625 12.5766 14.6125 14.6511 15.3078 15.3163 k = 0.1432 0.0827 0.2338 ( 2291 PWs) bands (ev): -10.5977 -10.5958 -10.5948 -10.5876 -9.6024 -9.6017 -9.5575 -9.5535 -9.5534 -9.5459 1.8377 1.8419 7.3633 7.3695 8.0649 8.0779 8.2055 8.2215 9.1136 9.1484 9.2419 9.2787 10.4666 10.5071 10.6755 10.6969 11.1187 11.1530 11.7664 11.7688 12.5793 12.5905 14.6764 14.7098 15.3731 15.3805 k = 0.1364 0.0787 0.2227 ( 2289 PWs) bands (ev): -10.5975 -10.5954 -10.5947 -10.5877 -9.6021 -9.6015 -9.5575 -9.5536 -9.5532 -9.5462 1.7865 1.7900 7.3971 7.4026 8.0473 8.0592 8.1877 8.2032 9.1040 9.1373 9.2210 9.2562 10.5317 10.5734 10.7101 10.7345 11.1447 11.1774 11.8169 11.8193 12.5971 12.6058 14.7357 14.7639 15.4359 15.4415 k = 0.1295 0.0748 0.2115 ( 2285 PWs) bands (ev): -10.5973 -10.5950 -10.5947 -10.5878 -9.6018 -9.6013 -9.5574 -9.5537 -9.5531 -9.5464 1.7370 1.7400 7.4310 7.4359 8.0301 8.0411 8.1689 8.1840 9.0946 9.1266 9.2008 9.2344 10.5948 10.6386 10.7454 10.7736 11.1664 11.1973 11.8737 11.8760 12.6161 12.6225 14.7895 14.8128 15.4957 15.4985 k = 0.1227 0.0709 0.2004 ( 2285 PWs) bands (ev): -10.5971 -10.5946 -10.5946 -10.5879 -9.6015 -9.6011 -9.5573 -9.5538 -9.5529 -9.5467 1.6893 1.6919 7.4648 7.4692 8.0133 8.0235 8.1494 8.1640 9.0855 9.1161 9.1813 9.2132 10.6553 10.7021 10.7815 10.8141 11.1844 11.2133 11.9361 11.9380 12.6364 12.6408 14.8377 14.8562 15.5510 15.5519 k = 0.1159 0.0669 0.1893 ( 2293 PWs) bands (ev): -10.5969 -10.5946 -10.5943 -10.5881 -9.6013 -9.6009 -9.5572 -9.5539 -9.5529 -9.5470 1.6437 1.6458 7.4982 7.5020 7.9973 8.0066 8.1295 8.1435 9.0768 9.1059 9.1626 9.1928 10.7129 10.7634 10.8181 10.8556 11.1992 11.2259 12.0029 12.0044 12.6581 12.6608 14.8799 14.8941 15.5982 15.6039 k = 0.1091 0.0630 0.1781 ( 2293 PWs) bands (ev): -10.5967 -10.5945 -10.5940 -10.5883 -9.6010 -9.6007 -9.5571 -9.5539 -9.5528 -9.5473 1.6001 1.6019 7.5309 7.5342 7.9819 7.9905 8.1095 8.1230 9.0684 9.0961 9.1448 9.1734 10.7673 10.8220 10.8552 10.8979 11.2115 11.2361 12.0735 12.0745 12.6812 12.6825 14.9161 14.9262 15.6393 15.6509 k = 0.1023 0.0590 0.1670 ( 2293 PWs) bands (ev): -10.5965 -10.5943 -10.5937 -10.5884 -9.6008 -9.6006 -9.5569 -9.5540 -9.5527 -9.5476 1.5587 1.5602 7.5627 7.5655 7.9675 7.9753 8.0897 8.1026 9.0605 9.0867 9.1279 9.1548 10.8187 10.8774 10.8926 10.9402 11.2217 11.2441 12.1469 12.1474 12.7056 12.7058 14.9459 14.9526 15.6736 15.6924 k = 0.0955 0.0551 0.1559 ( 2293 PWs) bands (ev): -10.5963 -10.5942 -10.5934 -10.5886 -9.6005 -9.6004 -9.5568 -9.5540 -9.5526 -9.5479 1.5196 1.5208 7.5931 7.5955 7.9541 7.9612 8.0704 8.0827 9.0530 9.0777 9.1121 9.1372 10.8673 10.9276 10.9321 10.9818 11.2303 11.2505 12.2222 12.2224 12.7304 12.7311 14.9693 14.9731 15.7005 15.7281 k = 0.0886 0.0512 0.1447 ( 2293 PWs) bands (ev): -10.5960 -10.5941 -10.5931 -10.5888 -9.6003 -9.6002 -9.5566 -9.5540 -9.5526 -9.5483 1.4829 1.4838 7.6218 7.6239 7.9419 7.9483 8.0518 8.0633 9.0459 9.0691 9.0972 9.1206 10.9134 10.9662 10.9792 11.0219 11.2375 11.2557 12.2986 12.2988 12.7562 12.7575 14.9860 14.9875 15.7199 15.7577 k = 0.0818 0.0472 0.1336 ( 2291 PWs) bands (ev): -10.5958 -10.5940 -10.5929 -10.5890 -9.6001 -9.6000 -9.5564 -9.5540 -9.5525 -9.5486 1.4486 1.4493 7.6486 7.6503 7.9312 7.9370 8.0340 8.0449 9.0394 9.0610 9.0834 9.1051 10.9573 11.0029 11.0241 11.0598 11.2437 11.2599 12.3755 12.3759 12.7828 12.7845 14.9954 14.9955 15.7318 15.7811 k = 0.0750 0.0433 0.1225 ( 2297 PWs) bands (ev): -10.5955 -10.5938 -10.5928 -10.5893 -9.6000 -9.5999 -9.5563 -9.5540 -9.5525 -9.5490 1.4168 1.4173 7.6728 7.6742 7.9221 7.9273 8.0173 8.0275 9.0334 9.0534 9.0707 9.0906 10.9991 11.0386 11.0652 11.0949 11.2490 11.2632 12.4521 12.4527 12.8096 12.8116 14.9967 14.9977 15.7368 15.7977 k = 0.0682 0.0394 0.1113 ( 2299 PWs) bands (ev): -10.5953 -10.5937 -10.5926 -10.5895 -9.5998 -9.5998 -9.5561 -9.5539 -9.5525 -9.5494 1.3875 1.3880 7.6941 7.6953 7.9150 7.9196 8.0018 8.0112 9.0279 9.0463 9.0591 9.0772 11.0390 11.0730 11.1024 11.1269 11.2537 11.2659 12.5277 12.5285 12.8364 12.8384 14.9913 14.9927 15.7364 15.8047 k = 0.0614 0.0354 0.1002 ( 2293 PWs) bands (ev): -10.5950 -10.5935 -10.5925 -10.5898 -9.5996 -9.5996 -9.5558 -9.5539 -9.5525 -9.5497 1.3609 1.3612 7.7122 7.7131 7.9101 7.9142 7.9877 7.9963 9.0230 9.0397 9.0486 9.0650 11.0766 11.1059 11.1359 11.1556 11.2580 11.2682 12.6014 12.6023 12.8626 12.8645 14.9796 14.9810 15.7327 15.7954 k = 0.0545 0.0315 0.0891 ( 2293 PWs) bands (ev): -10.5947 -10.5934 -10.5924 -10.5900 -9.5995 -9.5995 -9.5556 -9.5538 -9.5525 -9.5501 1.3370 1.3372 7.7266 7.7273 7.9078 7.9113 7.9749 7.9827 9.0186 9.0336 9.0393 9.0539 11.1119 11.1366 11.1657 11.1807 11.2619 11.2700 12.6723 12.6732 12.8876 12.8894 14.9627 14.9637 15.7278 15.7753 k = 0.0477 0.0276 0.0779 ( 2287 PWs) bands (ev): -10.5944 -10.5932 -10.5923 -10.5903 -9.5994 -9.5994 -9.5553 -9.5537 -9.5526 -9.5505 1.3157 1.3159 7.7373 7.7378 7.9079 7.9109 7.9637 7.9706 9.0149 9.0281 9.0312 9.0440 11.1444 11.1648 11.1918 11.2023 11.2656 11.2716 12.7393 12.7402 12.9110 12.9127 14.9418 14.9425 15.7228 15.7553 k = 0.0409 0.0236 0.0668 ( 2275 PWs) bands (ev): -10.5941 -10.5930 -10.5922 -10.5905 -9.5992 -9.5992 -9.5550 -9.5536 -9.5526 -9.5508 1.2972 1.2973 7.7447 7.7450 7.9101 7.9126 7.9540 7.9600 9.0117 9.0232 9.0243 9.0353 11.1739 11.1900 11.2142 11.2202 11.2693 11.2731 12.8012 12.8022 12.9324 12.9338 14.9188 14.9192 15.7176 15.7382 k = 0.0341 0.0197 0.0557 ( 2271 PWs) bands (ev): -10.5938 -10.5929 -10.5921 -10.5908 -9.5992 -9.5992 -9.5547 -9.5535 -9.5526 -9.5512 1.2815 1.2816 7.7492 7.7494 7.9137 7.9158 7.9459 7.9510 9.0093 9.0185 9.0188 9.0277 11.1997 11.2116 11.2327 11.2344 11.2733 11.2749 12.8569 12.8577 12.9512 12.9523 14.8955 14.8957 15.7115 15.7233 k = 0.0273 0.0157 0.0445 ( 2265 PWs) bands (ev): -10.5935 -10.5927 -10.5921 -10.5911 -9.5991 -9.5991 -9.5544 -9.5534 -9.5527 -9.5516 1.2687 1.2687 7.7516 7.7517 7.9180 7.9196 7.9394 7.9435 9.0074 9.0139 9.0151 9.0213 11.2216 11.2296 11.2450 11.2469 11.2773 11.2776 12.9049 12.9056 12.9671 12.9680 14.8738 14.8739 15.7038 15.7096 k = 0.0205 0.0118 0.0334 ( 2273 PWs) bands (ev): -10.5932 -10.5926 -10.5921 -10.5914 -9.5990 -9.5990 -9.5541 -9.5534 -9.5528 -9.5519 1.2586 1.2586 7.7527 7.7528 7.9222 7.9234 7.9344 7.9375 9.0062 9.0105 9.0120 9.0160 11.2390 11.2436 11.2523 11.2560 11.2810 11.2820 12.9439 12.9445 12.9798 12.9805 14.8552 14.8552 15.6942 15.6965 k = 0.0136 0.0079 0.0223 ( 2277 PWs) bands (ev): -10.5929 -10.5925 -10.5922 -10.5917 -9.5990 -9.5990 -9.5538 -9.5533 -9.5529 -9.5523 1.2514 1.2514 7.7531 7.7531 7.9256 7.9264 7.9310 7.9330 9.0057 9.0082 9.0095 9.0120 11.2515 11.2536 11.2571 11.2604 11.2854 11.2860 12.9728 12.9732 12.9891 12.9895 14.8410 14.8410 15.6843 15.6850 k = 0.0068 0.0039 0.0111 ( 2277 PWs) bands (ev): -10.5926 -10.5924 -10.5922 -10.5920 -9.5990 -9.5990 -9.5534 -9.5532 -9.5530 -9.5527 1.2471 1.2471 7.7531 7.7531 7.9279 7.9283 7.9292 7.9302 9.0059 9.0071 9.0079 9.0090 11.2590 11.2597 11.2600 11.2619 11.2889 11.2890 12.9907 12.9909 12.9948 12.9950 14.8321 14.8321 15.6767 15.6767 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.5923 -10.5923 -10.5923 -10.5923 -9.5990 -9.5990 -9.5531 -9.5531 -9.5531 -9.5531 1.2457 1.2457 7.7531 7.7531 7.9289 7.9289 7.9289 7.9289 9.0070 9.0070 9.0070 9.0070 11.2616 11.2616 11.2616 11.2616 11.2901 11.2901 12.9968 12.9968 12.9968 12.9968 14.8291 14.8291 15.6738 15.6738 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -10.5923 -10.5923 -10.5923 -10.5923 -9.5990 -9.5990 -9.5531 -9.5531 -9.5531 -9.5531 1.2457 1.2457 7.7531 7.7531 7.9289 7.9289 7.9289 7.9289 9.0070 9.0070 9.0070 9.0070 11.2616 11.2616 11.2616 11.2616 11.2901 11.2901 12.9968 12.9968 12.9968 12.9968 14.8291 14.8291 15.6738 15.6738 k = 0.0111 0.0064 0.0045 ( 2277 PWs) bands (ev): -10.5926 -10.5923 -10.5923 -10.5920 -9.5990 -9.5990 -9.5534 -9.5531 -9.5531 -9.5527 1.2471 1.2471 7.7531 7.7531 7.9282 7.9282 7.9290 7.9302 9.0059 9.0075 9.0075 9.0090 11.2592 11.2592 11.2601 11.2621 11.2889 11.2889 12.9928 12.9928 12.9928 12.9931 14.8321 14.8321 15.6767 15.6767 k = 0.0222 0.0128 0.0091 ( 2277 PWs) bands (ev): -10.5929 -10.5924 -10.5924 -10.5917 -9.5990 -9.5990 -9.5538 -9.5531 -9.5531 -9.5523 1.2514 1.2514 7.7531 7.7531 7.9263 7.9263 7.9305 7.9328 9.0057 9.0089 9.0089 9.0119 11.2518 11.2518 11.2576 11.2616 11.2858 11.2858 12.9809 12.9809 12.9812 12.9819 14.8408 14.8408 15.6844 15.6844 k = 0.0333 0.0192 0.0136 ( 2265 PWs) bands (ev): -10.5932 -10.5924 -10.5924 -10.5914 -9.5990 -9.5990 -9.5541 -9.5531 -9.5531 -9.5519 1.2586 1.2586 7.7529 7.7529 7.9234 7.9234 7.9334 7.9369 9.0065 9.0113 9.0113 9.0158 11.2388 11.2388 11.2540 11.2600 11.2813 11.2813 12.9616 12.9616 12.9625 12.9635 14.8545 14.8545 15.6936 15.6936 k = 0.0444 0.0257 0.0181 ( 2265 PWs) bands (ev): -10.5935 -10.5924 -10.5924 -10.5911 -9.5991 -9.5991 -9.5544 -9.5531 -9.5531 -9.5515 1.2686 1.2686 7.7520 7.7520 7.9198 7.9198 7.9377 7.9423 9.0081 9.0146 9.0146 9.0205 11.2201 11.2201 11.2493 11.2574 11.2757 11.2757 12.9355 12.9355 12.9372 12.9385 14.8715 14.8715 15.6995 15.6995 k = 0.0556 0.0321 0.0227 ( 2277 PWs) bands (ev): -10.5938 -10.5925 -10.5925 -10.5908 -9.5992 -9.5992 -9.5547 -9.5531 -9.5531 -9.5511 1.2814 1.2814 7.7501 7.7501 7.9159 7.9159 7.9433 7.9491 9.0106 9.0188 9.0188 9.0261 11.1960 11.1960 11.2434 11.2536 11.2690 11.2690 12.9033 12.9033 12.9060 12.9074 14.8897 14.8897 15.6991 15.6991 k = 0.0667 0.0385 0.0272 ( 2283 PWs) bands (ev): -10.5941 -10.5927 -10.5927 -10.5905 -9.5993 -9.5993 -9.5551 -9.5531 -9.5531 -9.5508 1.2971 1.2971 7.7465 7.7465 7.9126 7.9126 7.9502 7.9572 9.0140 9.0240 9.0240 9.0326 11.1671 11.1671 11.2363 11.2485 11.2610 11.2610 12.8659 12.8659 12.8697 12.8712 14.9060 14.9060 15.6943 15.6943 k = 0.0778 0.0449 0.0318 ( 2298 PWs) bands (ev): -10.5944 -10.5928 -10.5928 -10.5902 -9.5994 -9.5994 -9.5554 -9.5532 -9.5532 -9.5504 1.3155 1.3155 7.7404 7.7404 7.9104 7.9104 7.9585 7.9667 9.0182 9.0301 9.0301 9.0401 11.1337 11.1337 11.2278 11.2422 11.2516 11.2516 12.8244 12.8244 12.8292 12.8308 14.9166 14.9166 15.6905 15.6905 k = 0.0889 0.0513 0.0363 ( 2298 PWs) bands (ev): -10.5947 -10.5929 -10.5929 -10.5900 -9.5995 -9.5995 -9.5556 -9.5532 -9.5532 -9.5500 1.3367 1.3367 7.7313 7.7313 7.9102 7.9102 7.9680 7.9774 9.0235 9.0373 9.0373 9.0485 11.0965 11.0965 11.2178 11.2345 11.2406 11.2406 12.7796 12.7796 12.7855 12.7870 14.9173 14.9173 15.6933 15.6933 k = 0.1000 0.0577 0.0408 ( 2307 PWs) bands (ev): -10.5950 -10.5931 -10.5931 -10.5897 -9.5996 -9.5996 -9.5559 -9.5533 -9.5533 -9.5497 1.3605 1.3605 7.7187 7.7187 7.9123 7.9123 7.9787 7.9893 9.0296 9.0453 9.0453 9.0578 11.0559 11.0559 11.2062 11.2251 11.2279 11.2279 12.7325 12.7325 12.7393 12.7407 14.9048 14.9048 15.7074 15.7074 k = 0.1111 0.0642 0.0454 ( 2307 PWs) bands (ev): -10.5952 -10.5932 -10.5932 -10.5895 -9.5998 -9.5998 -9.5561 -9.5533 -9.5533 -9.5493 1.3871 1.3871 7.7024 7.7024 7.9170 7.9170 7.9906 8.0024 9.0366 9.0544 9.0544 9.0681 11.0123 11.0123 11.1929 11.2133 11.2133 11.2142 12.6840 12.6840 12.6915 12.6928 14.8771 14.8771 15.7347 15.7347 k = 0.1222 0.0706 0.0499 ( 2298 PWs) bands (ev): -10.5954 -10.5934 -10.5934 -10.5892 -9.5999 -9.5999 -9.5563 -9.5533 -9.5533 -9.5489 1.4162 1.4162 7.6826 7.6826 7.9242 7.9242 8.0036 8.0167 9.0446 9.0644 9.0644 9.0793 10.9664 10.9664 11.1777 11.1967 11.1967 11.2014 12.6350 12.6350 12.6431 12.6441 14.8346 14.8346 15.7748 15.7748 k = 0.1333 0.0770 0.0544 ( 2298 PWs) bands (ev): -10.5957 -10.5936 -10.5936 -10.5890 -9.6001 -9.6001 -9.5564 -9.5534 -9.5534 -9.5486 1.4479 1.4479 7.6594 7.6594 7.9336 7.9336 8.0177 8.0320 9.0535 9.0754 9.0754 9.0914 10.9184 10.9184 11.1605 11.1778 11.1778 11.1865 12.5861 12.5861 12.5947 12.5954 14.7788 14.7788 15.8253 15.8253 k = 0.1444 0.0834 0.0590 ( 2286 PWs) bands (ev): -10.5958 -10.5937 -10.5937 -10.5888 -9.6002 -9.6002 -9.5565 -9.5534 -9.5534 -9.5482 1.4820 1.4820 7.6332 7.6332 7.9450 7.9450 8.0329 8.0484 9.0633 9.0873 9.0873 9.1046 10.8688 10.8688 11.1410 11.1567 11.1567 11.1696 12.5381 12.5381 12.5470 12.5474 14.7121 14.7121 15.8827 15.8827 k = 0.1556 0.0898 0.0635 ( 2292 PWs) bands (ev): -10.5960 -10.5939 -10.5939 -10.5886 -9.6004 -9.6004 -9.5566 -9.5534 -9.5534 -9.5479 1.5186 1.5186 7.6043 7.6043 7.9582 7.9582 8.0490 8.0657 9.0739 9.1002 9.1002 9.1186 10.8178 10.8178 11.1191 11.1331 11.1331 11.1502 12.4915 12.4915 12.5006 12.5006 14.6366 14.6366 15.9433 15.9433 k = 0.1667 0.0962 0.0680 ( 2289 PWs) bands (ev): -10.5962 -10.5941 -10.5941 -10.5884 -9.6006 -9.6006 -9.5567 -9.5535 -9.5535 -9.5476 1.5575 1.5575 7.5729 7.5729 7.9729 7.9729 8.0659 8.0840 9.0855 9.1140 9.1140 9.1335 10.7660 10.7660 11.0948 11.1070 11.1070 11.1284 12.4469 12.4469 12.4558 12.4562 14.5542 14.5542 16.0032 16.0032 k = 0.1778 0.1026 0.0726 ( 2283 PWs) bands (ev): -10.5963 -10.5944 -10.5944 -10.5883 -9.6008 -9.6008 -9.5567 -9.5535 -9.5535 -9.5472 1.5986 1.5986 7.5392 7.5392 7.9888 7.9888 8.0838 8.1030 9.0980 9.1287 9.1287 9.1494 10.7136 10.7136 11.0678 11.0783 11.0783 11.1040 12.4046 12.4046 12.4134 12.4141 14.4665 14.4665 16.0585 16.0585 k = 0.1889 0.1091 0.0771 ( 2283 PWs) bands (ev): -10.5964 -10.5946 -10.5946 -10.5881 -9.6010 -9.6010 -9.5568 -9.5536 -9.5536 -9.5470 1.6419 1.6419 7.5035 7.5035 8.0059 8.0059 8.1024 8.1228 9.1113 9.1443 9.1443 9.1661 10.6610 10.6610 11.0382 11.0471 11.0471 11.0770 12.3651 12.3651 12.3737 12.3748 14.3746 14.3746 16.1058 16.1058 k = 0.2000 0.1155 0.0816 ( 2283 PWs) bands (ev): -10.5966 -10.5948 -10.5948 -10.5880 -9.6012 -9.6012 -9.5568 -9.5536 -9.5536 -9.5467 1.6871 1.6871 7.4660 7.4660 8.0240 8.0240 8.1217 8.1433 9.1256 9.1608 9.1608 9.1838 10.6083 10.6083 11.0059 11.0133 11.0133 11.0472 12.3286 12.3286 12.3371 12.3385 14.2796 14.2796 16.1418 16.1418 k = 0.2111 0.1219 0.0862 ( 2283 PWs) bands (ev): -10.5966 -10.5951 -10.5951 -10.5879 -9.6015 -9.6015 -9.5567 -9.5537 -9.5537 -9.5465 1.7343 1.7343 7.4267 7.4267 8.0429 8.0429 8.1416 8.1644 9.1406 9.1781 9.1781 9.2023 10.5559 10.5559 10.9710 10.9771 10.9771 11.0148 12.2952 12.2952 12.3039 12.3055 14.1822 14.1822 16.1645 16.1645 k = 0.2222 0.1283 0.0907 ( 2292 PWs) bands (ev): -10.5967 -10.5953 -10.5953 -10.5879 -9.6017 -9.6017 -9.5567 -9.5538 -9.5538 -9.5463 1.7833 1.7833 7.3859 7.3859 8.0625 8.0625 8.1620 8.1860 9.1565 9.1961 9.1961 9.2216 10.5040 10.5040 10.9335 10.9386 10.9386 10.9798 12.2650 12.2650 12.2742 12.2759 14.0830 14.0830 16.1730 16.1730 k = 0.2333 0.1347 0.0953 ( 2292 PWs) bands (ev): -10.5967 -10.5956 -10.5956 -10.5878 -9.6019 -9.6019 -9.5566 -9.5539 -9.5539 -9.5461 1.8338 1.8338 7.3436 7.3436 8.0828 8.0828 8.1829 8.2080 9.1732 9.2150 9.2150 9.2417 10.4529 10.4529 10.8936 10.8980 10.8980 10.9424 12.2380 12.2380 12.2480 12.2498 13.9829 13.9829 16.1681 16.1681 k = 0.2444 0.1411 0.0998 ( 2289 PWs) bands (ev): -10.5967 -10.5959 -10.5959 -10.5878 -9.6022 -9.6022 -9.5565 -9.5539 -9.5539 -9.5459 1.8858 1.8858 7.3001 7.3001 8.1035 8.1035 8.2042 8.2303 9.1907 9.2345 9.2345 9.2626 10.4026 10.4026 10.8516 10.8556 10.8556 10.9027 12.2141 12.2141 12.2252 12.2271 13.8822 13.8822 16.1514 16.1514 k = 0.2556 0.1475 0.1043 ( 2295 PWs) bands (ev): -10.5967 -10.5962 -10.5962 -10.5878 -9.6024 -9.6024 -9.5564 -9.5540 -9.5540 -9.5458 1.9392 1.9392 7.2555 7.2555 8.1246 8.1246 8.2259 8.2529 9.2089 9.2547 9.2547 9.2842 10.3535 10.3535 10.8075 10.8116 10.8116 10.8611 12.1933 12.1933 12.2059 12.2077 13.7816 13.7816 16.1251 16.1251 k = 0.2667 0.1540 0.1089 ( 2295 PWs) bands (ev): -10.5967 -10.5964 -10.5964 -10.5878 -9.6026 -9.6026 -9.5562 -9.5541 -9.5541 -9.5457 1.9936 1.9936 7.2100 7.2100 8.1461 8.1461 8.2477 8.2756 9.2278 9.2754 9.2754 9.3064 10.3057 10.3057 10.7618 10.7663 10.7663 10.8177 12.1753 12.1753 12.1898 12.1914 13.6815 13.6815 16.0918 16.0918 k = 0.2778 0.1604 0.1134 ( 2289 PWs) bands (ev): -10.5967 -10.5967 -10.5967 -10.5878 -9.6029 -9.6029 -9.5560 -9.5542 -9.5542 -9.5456 2.0489 2.0489 7.1636 7.1636 8.1677 8.1677 8.2698 8.2984 9.2474 9.2966 9.2966 9.3294 10.2595 10.2595 10.7147 10.7201 10.7201 10.7729 12.1600 12.1600 12.1768 12.1782 13.5824 13.5824 16.0535 16.0535 k = 0.2889 0.1668 0.1179 ( 2289 PWs) bands (ev): -10.5969 -10.5969 -10.5966 -10.5879 -9.6031 -9.6031 -9.5558 -9.5542 -9.5542 -9.5456 2.1048 2.1048 7.1166 7.1166 8.1894 8.1894 8.2919 8.3212 9.2676 9.3182 9.3182 9.3528 10.2149 10.2149 10.6665 10.6732 10.6732 10.7270 12.1473 12.1473 12.1666 12.1677 13.4848 13.4848 16.0123 16.0123 k = 0.3000 0.1732 0.1225 ( 2289 PWs) bands (ev): -10.5972 -10.5972 -10.5965 -10.5880 -9.6033 -9.6033 -9.5556 -9.5543 -9.5543 -9.5455 2.1612 2.1612 7.0692 7.0692 8.2111 8.2111 8.3139 8.3437 9.2884 9.3401 9.3401 9.3767 10.1721 10.1721 10.6174 10.6259 10.6259 10.6803 12.1367 12.1367 12.1590 12.1599 13.3892 13.3892 15.9695 15.9695 k = 0.3111 0.1796 0.1270 ( 2301 PWs) bands (ev): -10.5975 -10.5975 -10.5964 -10.5881 -9.6035 -9.6035 -9.5553 -9.5544 -9.5544 -9.5456 2.2177 2.2177 7.0216 7.0216 8.2327 8.2327 8.3359 8.3661 9.3097 9.3621 9.3621 9.4010 10.1313 10.1313 10.5677 10.5784 10.5784 10.6329 12.1283 12.1283 12.1537 12.1543 13.2961 13.2961 15.9265 15.9265 k = 0.3222 0.1860 0.1315 ( 2307 PWs) bands (ev): -10.5977 -10.5977 -10.5963 -10.5882 -9.6037 -9.6037 -9.5551 -9.5545 -9.5545 -9.5456 2.2741 2.2741 6.9739 6.9739 8.2540 8.2540 8.3577 8.3880 9.3315 9.3843 9.3843 9.4257 10.0925 10.0925 10.5178 10.5312 10.5312 10.5854 12.1217 12.1217 12.1506 12.1508 13.2058 13.2058 15.8841 15.8841 k = 0.3333 0.1925 0.1361 ( 2301 PWs) bands (ev): -10.5979 -10.5979 -10.5961 -10.5884 -9.6039 -9.6039 -9.5548 -9.5546 -9.5546 -9.5457 2.3301 2.3301 6.9266 6.9266 8.2751 8.2751 8.3791 8.4095 9.3538 9.4064 9.4064 9.4508 10.0560 10.0560 10.4680 10.4844 10.4844 10.5379 12.1167 12.1167 12.1492 12.1493 13.1188 13.1188 15.8430 15.8430 k = 0.3444 0.1989 0.1406 ( 2301 PWs) bands (ev): -10.5982 -10.5982 -10.5960 -10.5885 -9.6041 -9.6041 -9.5546 -9.5546 -9.5545 -9.5457 2.3853 2.3853 6.8797 6.8797 8.2957 8.2957 8.4002 8.4304 9.3766 9.4284 9.4284 9.4761 10.0218 10.0218 10.4184 10.4384 10.4384 10.4906 12.1131 12.1131 12.1492 12.1495 13.0355 13.0355 15.8037 15.8037 k = 0.3556 0.2053 0.1452 ( 2313 PWs) bands (ev): -10.5984 -10.5984 -10.5958 -10.5887 -9.6043 -9.6043 -9.5547 -9.5547 -9.5542 -9.5459 2.4393 2.4393 6.8336 6.8336 8.3157 8.3157 8.4208 8.4505 9.3998 9.4500 9.4500 9.5015 9.9901 9.9901 10.3692 10.3932 10.3932 10.4438 12.1108 12.1108 12.1505 12.1511 12.9562 12.9562 15.7665 15.7665 k = 0.3667 0.2117 0.1497 ( 2307 PWs) bands (ev): -10.5986 -10.5986 -10.5956 -10.5889 -9.6045 -9.6045 -9.5548 -9.5548 -9.5538 -9.5460 2.4919 2.4919 6.7887 6.7887 8.3351 8.3351 8.4407 8.4698 9.4234 9.4712 9.4712 9.5271 9.9609 9.9609 10.3208 10.3493 10.3493 10.3977 12.1094 12.1094 12.1530 12.1538 12.8815 12.8815 15.7317 15.7317 k = 0.3778 0.2181 0.1542 ( 2307 PWs) bands (ev): -10.5988 -10.5988 -10.5954 -10.5891 -9.6046 -9.6046 -9.5548 -9.5548 -9.5535 -9.5462 2.5425 2.5425 6.7452 6.7452 8.3537 8.3537 8.4600 8.4881 9.4474 9.4918 9.4918 9.5526 9.9345 9.9345 10.2734 10.3067 10.3067 10.3524 12.1089 12.1089 12.1564 12.1574 12.8116 12.8116 15.6994 15.6994 k = 0.3889 0.2245 0.1588 ( 2301 PWs) bands (ev): -10.5990 -10.5990 -10.5951 -10.5893 -9.6047 -9.6047 -9.5549 -9.5549 -9.5531 -9.5463 2.5908 2.5908 6.7036 6.7036 8.3713 8.3713 8.4783 8.5052 9.4718 9.5115 9.5115 9.5781 9.9109 9.9109 10.2272 10.2657 10.2657 10.3082 12.1090 12.1090 12.1605 12.1616 12.7468 12.7468 15.6698 15.6698 k = 0.4000 0.2309 0.1633 ( 2301 PWs) bands (ev): -10.5991 -10.5991 -10.5948 -10.5896 -9.6049 -9.6049 -9.5549 -9.5549 -9.5527 -9.5465 2.6364 2.6364 6.6642 6.6642 8.3879 8.3879 8.4957 8.5211 9.4965 9.5302 9.5302 9.6033 9.8904 9.8904 10.1824 10.2266 10.2266 10.2652 12.1095 12.1095 12.1650 12.1662 12.6875 12.6875 15.6430 15.6430 k = 0.4111 0.2374 0.1678 ( 2310 PWs) bands (ev): -10.5993 -10.5993 -10.5946 -10.5898 -9.6050 -9.6050 -9.5550 -9.5550 -9.5524 -9.5468 2.6787 2.6787 6.6275 6.6275 8.4032 8.4032 8.5120 8.5355 9.5216 9.5475 9.5475 9.6282 9.8730 9.8730 10.1394 10.1894 10.1894 10.2235 12.1102 12.1102 12.1697 12.1710 12.6340 12.6340 15.6189 15.6189 k = 0.4222 0.2438 0.1724 ( 2316 PWs) bands (ev): -10.5994 -10.5994 -10.5943 -10.5901 -9.6051 -9.6051 -9.5551 -9.5551 -9.5520 -9.5470 2.7174 2.7174 6.5939 6.5939 8.4171 8.4171 8.5270 8.5484 9.5471 9.5633 9.5633 9.6523 9.8590 9.8590 10.0986 10.1545 10.1545 10.1833 12.1111 12.1111 12.1745 12.1758 12.5864 12.5864 15.5977 15.5977 k = 0.4333 0.2502 0.1769 ( 2316 PWs) bands (ev): -10.5995 -10.5995 -10.5941 -10.5904 -9.6052 -9.6052 -9.5551 -9.5551 -9.5516 -9.5473 2.7520 2.7520 6.5637 6.5637 8.4296 8.4296 8.5406 8.5596 9.5728 9.5772 9.5772 9.6754 9.8484 9.8484 10.0605 10.1222 10.1222 10.1448 12.1120 12.1120 12.1791 12.1803 12.5449 12.5449 15.5794 15.5794 k = 0.4444 0.2566 0.1814 ( 2316 PWs) bands (ev): -10.5996 -10.5996 -10.5938 -10.5907 -9.6053 -9.6053 -9.5551 -9.5551 -9.5512 -9.5476 2.7821 2.7821 6.5374 6.5374 8.4404 8.4404 8.5527 8.5690 9.5890 9.5890 9.5988 9.6965 9.8413 9.8413 10.0262 10.0929 10.0929 10.1082 12.1127 12.1127 12.1834 12.1845 12.5098 12.5098 15.5638 15.5638 k = 0.4556 0.2630 0.1860 ( 2316 PWs) bands (ev): -10.5997 -10.5997 -10.5935 -10.5910 -9.6054 -9.6054 -9.5552 -9.5552 -9.5508 -9.5479 2.8073 2.8073 6.5153 6.5153 8.4494 8.4494 8.5631 8.5765 9.5985 9.5985 9.6247 9.7146 9.8373 9.8373 9.9968 10.0670 10.0670 10.0737 12.1133 12.1133 12.1872 12.1881 12.4810 12.4810 15.5511 15.5511 k = 0.4667 0.2694 0.1905 ( 2316 PWs) bands (ev): -10.5998 -10.5998 -10.5932 -10.5913 -9.6054 -9.6054 -9.5552 -9.5552 -9.5504 -9.5482 2.8273 2.8273 6.4977 6.4977 8.4565 8.4565 8.5718 8.5821 9.6056 9.6056 9.6504 9.7275 9.8360 9.8360 9.9746 10.0417 10.0453 10.0453 12.1136 12.1136 12.1903 12.1910 12.4587 12.4587 15.5413 15.5413 k = 0.4778 0.2758 0.1951 ( 2316 PWs) bands (ev): -10.5998 -10.5998 -10.5929 -10.5916 -9.6055 -9.6055 -9.5552 -9.5552 -9.5500 -9.5486 2.8418 2.8418 6.4850 6.4850 8.4617 8.4617 8.5786 8.5855 9.6106 9.6106 9.6750 9.7328 9.8364 9.8364 9.9620 10.0131 10.0286 10.0286 12.1139 12.1139 12.1926 12.1931 12.4428 12.4428 15.5342 15.5342 k = 0.4889 0.2823 0.1996 ( 2322 PWs) bands (ev): -10.5999 -10.5999 -10.5926 -10.5919 -9.6055 -9.6055 -9.5552 -9.5552 -9.5497 -9.5489 2.8506 2.8506 6.4772 6.4772 8.4649 8.4649 8.5834 8.5869 9.6134 9.6134 9.6976 9.7289 9.8373 9.8373 9.9608 9.9887 10.0179 10.0179 12.1140 12.1140 12.1941 12.1944 12.4333 12.4333 15.5300 15.5300 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -10.5999 -10.5999 -10.5923 -10.5923 -9.6055 -9.6055 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8535 6.4746 6.4746 8.4659 8.4659 8.5862 8.5862 9.6143 9.6143 9.7164 9.7164 9.8377 9.8377 9.9704 9.9704 10.0142 10.0142 12.1140 12.1140 12.1947 12.1947 12.4301 12.4301 15.5286 15.5286 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -10.5999 -10.5999 -10.5923 -10.5923 -9.6055 -9.6055 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8535 6.4746 6.4746 8.4659 8.4659 8.5862 8.5862 9.6143 9.6143 9.7164 9.7164 9.8377 9.8377 9.9704 9.9704 10.0142 10.0142 12.1140 12.1140 12.1947 12.1947 12.4301 12.4301 15.5286 15.5286 k = 0.5039 0.2774 0.2105 ( 2315 PWs) bands (ev): -10.6001 -10.5997 -10.5922 -10.5922 -9.6057 -9.6053 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8553 6.4754 6.4759 8.4638 8.4662 8.5854 8.5854 9.6119 9.6149 9.7156 9.7156 9.8279 9.8420 9.9721 9.9725 10.0109 10.0211 12.1095 12.1184 12.1947 12.1948 12.4259 12.4347 15.5321 15.5330 k = 0.5078 0.2661 0.2169 ( 2313 PWs) bands (ev): -10.6003 -10.5995 -10.5922 -10.5922 -9.6059 -9.6052 -9.5553 -9.5552 -9.5492 -9.5492 2.8552 2.8589 6.4782 6.4792 8.4596 8.4644 8.5831 8.5833 9.6077 9.6137 9.7129 9.7132 9.8143 9.8403 9.9759 9.9783 10.0111 10.0313 12.1051 12.1225 12.1948 12.1949 12.4222 12.4395 15.5434 15.5450 k = 0.5117 0.2548 0.2233 ( 2307 PWs) bands (ev): -10.6005 -10.5994 -10.5921 -10.5921 -9.6060 -9.6050 -9.5554 -9.5553 -9.5491 -9.5491 2.8587 2.8641 6.4830 6.4845 8.4524 8.4600 8.5802 8.5806 9.6015 9.6105 9.7083 9.7092 9.7993 9.8342 9.9805 9.9857 10.0158 10.0441 12.1006 12.1262 12.1947 12.1951 12.4192 12.4449 15.5622 15.5641 k = 0.5156 0.2436 0.2296 ( 2312 PWs) bands (ev): -10.6008 -10.5993 -10.5921 -10.5920 -9.6063 -9.6049 -9.5556 -9.5553 -9.5490 -9.5490 2.8639 2.8711 6.4897 6.4919 8.4414 8.4520 8.5778 8.5785 9.5934 9.6052 9.7016 9.7037 9.7844 9.8255 9.9855 9.9921 10.0253 10.0587 12.0961 12.1290 12.1943 12.1951 12.4175 12.4509 15.5877 15.5894 k = 0.5195 0.2323 0.2360 ( 2312 PWs) bands (ev): -10.6011 -10.5993 -10.5920 -10.5920 -9.6065 -9.6048 -9.5557 -9.5554 -9.5489 -9.5488 2.8708 2.8798 6.4982 6.5012 8.4257 8.4395 8.5769 8.5780 9.5832 9.5973 9.6932 9.6971 9.7709 9.8161 9.9907 9.9972 10.0384 10.0741 12.0912 12.1309 12.1936 12.1945 12.4176 12.4580 15.6183 15.6188 k = 0.5234 0.2210 0.2424 ( 2306 PWs) bands (ev): -10.6014 -10.5992 -10.5920 -10.5918 -9.6067 -9.6047 -9.5559 -9.5555 -9.5488 -9.5486 2.8793 2.8902 6.5085 6.5124 8.4049 8.4220 8.5785 8.5797 9.5710 9.5867 9.6835 9.6894 9.7593 9.8068 9.9964 10.0019 10.0529 10.0897 12.0858 12.1316 12.1923 12.1925 12.4204 12.4663 15.6477 15.6496 k = 0.5273 0.2097 0.2488 ( 2310 PWs) bands (ev): -10.6017 -10.5992 -10.5919 -10.5917 -9.6069 -9.6046 -9.5561 -9.5556 -9.5486 -9.5484 2.8895 2.9021 6.5204 6.5254 8.3790 8.3995 8.5828 8.5839 9.5570 9.5732 9.6734 9.6810 9.7492 9.7979 10.0024 10.0069 10.0674 10.1048 12.0796 12.1310 12.1885 12.1904 12.4265 12.4762 15.6657 15.6685 k = 0.5312 0.1985 0.2552 ( 2311 PWs) bands (ev): -10.6020 -10.5993 -10.5919 -10.5916 -9.6072 -9.6045 -9.5564 -9.5557 -9.5485 -9.5481 2.9013 2.9156 6.5337 6.5401 8.3485 8.3726 8.5896 8.5904 9.5413 9.5569 9.6636 9.6722 9.7405 9.7897 10.0091 10.0124 10.0811 10.1190 12.0722 12.1289 12.1822 12.1879 12.4364 12.4880 15.6514 15.6567 k = 0.5352 0.1872 0.2615 ( 2311 PWs) bands (ev): -10.6023 -10.5993 -10.5918 -10.5914 -9.6074 -9.6044 -9.5566 -9.5558 -9.5483 -9.5479 2.9146 2.9306 6.5482 6.5563 8.3140 8.3421 8.5986 8.5991 9.5241 9.5383 9.6545 9.6630 9.7324 9.7821 10.0164 10.0187 10.0937 10.1322 12.0633 12.1251 12.1736 12.1848 12.4504 12.5020 15.5997 15.6166 k = 0.5391 0.1759 0.2679 ( 2315 PWs) bands (ev): -10.6026 -10.5994 -10.5918 -10.5913 -9.6077 -9.6044 -9.5569 -9.5559 -9.5482 -9.5476 2.9293 2.9470 6.5638 6.5739 8.2763 8.3086 8.6096 8.6096 9.5058 9.5178 9.6459 9.6536 9.7249 9.7750 10.0242 10.0256 10.1049 10.1441 12.0525 12.1186 12.1638 12.1812 12.4682 12.5182 15.5312 15.5561 k = 0.5430 0.1646 0.2743 ( 2313 PWs) bands (ev): -10.6029 -10.5995 -10.5917 -10.5911 -9.6079 -9.6043 -9.5572 -9.5560 -9.5480 -9.5473 2.9454 2.9648 6.5802 6.5926 8.2360 8.2730 8.6218 8.6224 9.4867 9.4961 9.6378 9.6439 9.7176 9.7685 10.0328 10.0333 10.1145 10.1546 12.0398 12.1081 12.1543 12.1774 12.4896 12.5368 15.4544 15.4843 k = 0.5469 0.1534 0.2807 ( 2306 PWs) bands (ev): -10.6032 -10.5995 -10.5917 -10.5909 -9.6082 -9.6043 -9.5574 -9.5561 -9.5479 -9.5471 2.9629 2.9838 6.5970 6.6121 8.1939 8.2362 8.6356 8.6366 9.4670 9.4735 9.6300 9.6341 9.7107 9.7624 10.0418 10.0419 10.1224 10.1637 12.0247 12.0926 12.1466 12.1735 12.5141 12.5575 15.3727 15.4057 k = 0.5508 0.1421 0.2870 ( 2310 PWs) bands (ev): -10.6035 -10.5996 -10.5917 -10.5908 -9.6084 -9.6042 -9.5577 -9.5561 -9.5478 -9.5468 2.9815 3.0040 6.6138 6.6322 8.1508 8.1988 8.6506 8.6522 9.4469 9.4504 9.6223 9.6241 9.7039 9.7567 10.0508 10.0516 10.1286 10.1713 12.0074 12.0726 12.1409 12.1697 12.5412 12.5803 15.2878 15.3227 k = 0.5547 0.1308 0.2934 ( 2311 PWs) bands (ev): -10.6038 -10.5997 -10.5917 -10.5906 -9.6087 -9.6042 -9.5579 -9.5562 -9.5477 -9.5465 3.0012 3.0253 6.6303 6.6524 8.1074 8.1617 8.6668 8.6691 9.4265 9.4270 9.6137 9.6144 9.6974 9.7516 10.0605 10.0618 10.1330 10.1775 11.9878 12.0490 12.1365 12.1663 12.5704 12.6050 15.2011 15.2371 k = 0.5586 0.1195 0.2998 ( 2303 PWs) bands (ev): -10.6041 -10.5998 -10.5916 -10.5904 -9.6089 -9.6042 -9.5582 -9.5562 -9.5476 -9.5462 3.0219 3.0474 6.6459 6.6722 8.0645 8.1257 8.6841 8.6870 9.4037 9.4061 9.6032 9.6065 9.6913 9.7470 10.0708 10.0725 10.1358 10.1824 11.9662 12.0227 12.1331 12.1633 12.6014 12.6313 15.1133 15.1499 k = 0.5625 0.1083 0.3062 ( 2307 PWs) bands (ev): -10.6043 -10.6000 -10.5917 -10.5903 -9.6092 -9.6042 -9.5584 -9.5562 -9.5475 -9.5460 3.0434 3.0704 6.6601 6.6911 8.0231 8.0917 8.7023 8.7058 9.3803 9.3856 9.5924 9.5981 9.6856 9.7430 10.0815 10.0834 10.1369 10.1860 11.9426 11.9945 12.1304 12.1609 12.6337 12.6588 15.0252 15.0621 k = 0.5664 0.0970 0.3126 ( 2305 PWs) bands (ev): -10.6046 -10.6001 -10.5917 -10.5901 -9.6094 -9.6042 -9.5587 -9.5562 -9.5475 -9.5457 3.0657 3.0940 6.6723 6.7084 7.9841 8.0605 8.7214 8.7255 9.3572 9.3653 9.5812 9.5894 9.6805 9.7399 10.0925 10.0945 10.1366 10.1885 11.9175 11.9650 12.1283 12.1591 12.6668 12.6873 14.9375 14.9745 k = 0.5703 0.0857 0.3189 ( 2307 PWs) bands (ev): -10.6048 -10.6002 -10.5917 -10.5900 -9.6097 -9.6042 -9.5589 -9.5562 -9.5474 -9.5455 3.0886 3.1182 6.6818 6.7234 7.9484 8.0331 8.7412 8.7459 9.3344 9.3452 9.5698 9.5803 9.6761 9.7375 10.1032 10.1055 10.1351 10.1902 11.8911 11.9344 12.1268 12.1579 12.7004 12.7163 14.8508 14.8878 k = 0.5742 0.0744 0.3253 ( 2304 PWs) bands (ev): -10.6050 -10.6003 -10.5918 -10.5899 -9.6099 -9.6042 -9.5591 -9.5561 -9.5474 -9.5453 3.1119 3.1427 6.6881 6.7353 7.9172 8.0101 8.7615 8.7670 9.3120 9.3255 9.5581 9.5706 9.6725 9.7362 10.1124 10.1161 10.1340 10.1914 11.8637 11.9033 12.1261 12.1575 12.7341 12.7455 14.7656 14.8026 k = 0.5781 0.0631 0.3317 ( 2304 PWs) bands (ev): -10.6051 -10.6004 -10.5918 -10.5898 -9.6101 -9.6042 -9.5593 -9.5561 -9.5474 -9.5451 3.1354 3.1673 6.6907 6.7432 7.8914 7.9924 8.7824 8.7885 9.2901 9.3061 9.5461 9.5605 9.6696 9.7358 10.1156 10.1257 10.1376 10.1927 11.8358 11.8720 12.1261 12.1580 12.7674 12.7743 14.6825 14.7195 k = 0.5820 0.0519 0.3381 ( 2304 PWs) bands (ev): -10.6053 -10.6005 -10.5919 -10.5897 -9.6103 -9.6042 -9.5595 -9.5560 -9.5474 -9.5449 3.1590 3.1920 6.6889 6.7465 7.8719 7.9806 8.8036 8.8105 9.2689 9.2872 9.5340 9.5499 9.6675 9.7366 10.1116 10.1336 10.1470 10.1949 11.8076 11.8407 12.1269 12.1594 12.7997 12.8023 14.6020 14.6391 k = 0.5859 0.0406 0.3445 ( 2296 PWs) bands (ev): -10.6054 -10.6005 -10.5920 -10.5896 -9.6105 -9.6042 -9.5596 -9.5559 -9.5474 -9.5447 3.1824 3.2164 6.6827 6.7446 7.8596 7.9750 8.8251 8.8326 9.2484 9.2690 9.5216 9.5390 9.6662 9.7386 10.1043 10.1389 10.1585 10.1989 11.7795 11.8100 12.1289 12.1619 12.8289 12.8305 14.5247 14.5621 k = 0.5898 0.0293 0.3508 ( 2296 PWs) bands (ev): -10.6055 -10.6006 -10.5921 -10.5895 -9.6107 -9.6043 -9.5597 -9.5558 -9.5474 -9.5446 3.2056 3.2403 6.6718 6.7372 7.8547 7.9759 8.8467 8.8549 9.2288 9.2515 9.5091 9.5276 9.6655 9.7417 10.0951 10.1413 10.1704 10.2051 11.7519 11.7799 12.1319 12.1656 12.8536 12.8593 14.4515 14.4891 k = 0.5938 0.0180 0.3572 ( 2299 PWs) bands (ev): -10.6056 -10.6007 -10.5922 -10.5894 -9.6109 -9.6043 -9.5599 -9.5557 -9.5474 -9.5445 3.2281 3.2636 6.6565 6.7242 7.8576 7.9831 8.8682 8.8771 9.2102 9.2349 9.4965 9.5159 9.6654 9.7460 10.0847 10.1411 10.1824 10.2133 11.7250 11.7508 12.1363 12.1706 12.8755 12.8852 14.3828 14.4209 k = 0.5977 0.0068 0.3636 ( 2297 PWs) bands (ev): -10.6057 -10.6007 -10.5923 -10.5894 -9.6110 -9.6044 -9.5600 -9.5555 -9.5475 -9.5444 3.2498 3.2859 6.6371 6.7059 7.8679 7.9965 8.8896 8.8992 9.1927 9.2194 9.4838 9.5040 9.6658 9.7514 10.0733 10.1392 10.1942 10.2227 11.6990 11.7230 12.1421 12.1770 12.8940 12.9075 14.3198 14.3582 k = 0.6016-0.0045 0.3700 ( 2301 PWs) bands (ev): -10.6057 -10.6008 -10.5924 -10.5894 -9.6111 -9.6044 -9.5601 -9.5554 -9.5476 -9.5443 3.2705 3.3070 6.6141 6.6830 7.8852 8.0154 8.9107 8.9208 9.1764 9.2051 9.4712 9.4920 9.6664 9.7577 10.0614 10.1364 10.2055 10.2326 11.6744 11.6966 12.1496 12.1850 12.9085 12.9254 14.2631 14.3019 k = 0.6055-0.0158 0.3764 ( 2299 PWs) bands (ev): -10.6057 -10.6008 -10.5926 -10.5893 -9.6112 -9.6045 -9.5602 -9.5553 -9.5476 -9.5442 3.2898 3.3267 6.5882 6.6563 7.9088 8.0394 8.9314 8.9419 9.1616 9.1921 9.4587 9.4799 9.6671 9.7648 10.0493 10.1334 10.2163 10.2427 11.6513 11.6719 12.1589 12.1948 12.9181 12.9382 14.2137 14.2528 k = 0.6094-0.0271 0.3827 ( 2301 PWs) bands (ev): -10.6057 -10.6009 -10.5927 -10.5893 -9.6113 -9.6046 -9.5603 -9.5551 -9.5477 -9.5442 3.3075 3.3446 6.5600 6.6265 7.9378 8.0676 8.9514 8.9622 9.1483 9.1807 9.4465 9.4678 9.6676 9.7722 10.0376 10.1308 10.2264 10.2525 11.6298 11.6491 12.1702 12.2065 12.9222 12.9450 14.1725 14.2115 k = 0.6133-0.0383 0.3891 ( 2303 PWs) bands (ev): -10.6057 -10.6009 -10.5929 -10.5893 -9.6114 -9.6046 -9.5603 -9.5550 -9.5478 -9.5442 3.3234 3.3605 6.5304 6.5948 7.9714 8.0994 8.9706 8.9816 9.1367 9.1710 9.4345 9.4558 9.6677 9.7794 10.0269 10.1291 10.2358 10.2617 11.6103 11.6281 12.1836 12.2203 12.9206 12.9454 14.1401 14.1788 k = 0.6172-0.0496 0.3955 ( 2307 PWs) bands (ev): -10.6056 -10.6009 -10.5931 -10.5893 -9.6114 -9.6047 -9.5604 -9.5548 -9.5479 -9.5442 3.3370 3.3740 6.5000 6.5618 8.0088 8.1341 8.9889 8.9997 9.1268 9.1632 9.4229 9.4439 9.6671 9.7856 10.0183 10.1287 10.2443 10.2702 11.5927 11.6093 12.1993 12.2362 12.9130 12.9392 14.1170 14.1548 k = 0.6211-0.0609 0.4019 ( 2307 PWs) bands (ev): -10.6055 -10.6010 -10.5932 -10.5893 -9.6114 -9.6048 -9.5604 -9.5547 -9.5480 -9.5442 3.3482 3.3850 6.4696 6.5287 8.0491 8.1709 9.0061 9.0164 9.1189 9.1573 9.4118 9.4322 9.6656 9.7898 10.0127 10.1302 10.2519 10.2779 11.5772 11.5926 12.2173 12.2544 12.8997 12.9266 14.1033 14.1397 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.6184-0.0684 0.4190 ( 2305 PWs) bands (ev): -10.6054 -10.6010 -10.5935 -10.5893 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5443 3.3569 3.3933 6.4408 6.4973 8.0890 8.2066 9.0214 9.0361 9.1127 9.1535 9.4015 9.4211 9.6623 9.7902 10.0111 10.1333 10.2568 10.2840 11.5635 11.5778 12.2386 12.2764 12.8818 12.9089 14.0864 14.1215 k = 0.6118-0.0646 0.4297 ( 2306 PWs) bands (ev): -10.6054 -10.6010 -10.5936 -10.5892 -9.6115 -9.6048 -9.5605 -9.5544 -9.5480 -9.5442 3.3578 3.3943 6.4439 6.5014 8.0813 8.1986 9.0228 9.0470 9.1122 9.1535 9.4024 9.4222 9.6606 9.7880 10.0101 10.1317 10.2516 10.2819 11.5625 11.5772 12.2406 12.2805 12.8828 12.9105 14.0543 14.0904 k = 0.6053-0.0608 0.4405 ( 2298 PWs) bands (ev): -10.6054 -10.6009 -10.5937 -10.5891 -9.6115 -9.6048 -9.5605 -9.5543 -9.5481 -9.5442 3.3592 3.3958 6.4491 6.5082 8.0688 8.1856 9.0274 9.0619 9.1119 9.1536 9.4039 9.4240 9.6579 9.7844 10.0086 10.1292 10.2434 10.2783 11.5608 11.5762 12.2439 12.2867 12.8848 12.9134 14.0098 14.0472 k = 0.5987-0.0570 0.4512 ( 2300 PWs) bands (ev): -10.6054 -10.6009 -10.5939 -10.5889 -9.6115 -9.6048 -9.5607 -9.5542 -9.5481 -9.5442 3.3611 3.3980 6.4563 6.5175 8.0518 8.1682 9.0348 9.0788 9.1127 9.1540 9.4059 9.4264 9.6541 9.7793 10.0063 10.1254 10.2328 10.2730 11.5588 11.5748 12.2481 12.2947 12.8879 12.9176 13.9586 13.9975 k = 0.5921-0.0532 0.4620 ( 2299 PWs) bands (ev): -10.6054 -10.6009 -10.5942 -10.5886 -9.6115 -9.6048 -9.5608 -9.5541 -9.5481 -9.5441 3.3636 3.4007 6.4653 6.5294 8.0307 8.1471 9.0438 9.0931 9.1192 9.1553 9.4084 9.4296 9.6493 9.7729 10.0033 10.1205 10.2203 10.2664 11.5564 11.5730 12.2531 12.3038 12.8927 12.9236 13.9043 13.9445 k = 0.5855-0.0494 0.4727 ( 2295 PWs) bands (ev): -10.6054 -10.6009 -10.5944 -10.5884 -9.6116 -9.6047 -9.5610 -9.5539 -9.5482 -9.5441 3.3665 3.4039 6.4761 6.5436 8.0061 8.1228 9.0529 9.0988 9.1368 9.1584 9.4115 9.4334 9.6435 9.7652 9.9996 10.1142 10.2064 10.2586 11.5539 11.5710 12.2584 12.3133 12.8994 12.9317 13.8486 13.8900 k = 0.5789-0.0456 0.4835 ( 2296 PWs) bands (ev): -10.6054 -10.6009 -10.5947 -10.5882 -9.6117 -9.6047 -9.5611 -9.5538 -9.5482 -9.5440 3.3698 3.4076 6.4885 6.5599 7.9785 8.0962 9.0601 9.1008 9.1575 9.1674 9.4151 9.4379 9.6367 9.7562 9.9950 10.1063 10.1919 10.2501 11.5514 11.5688 12.2635 12.3225 12.9085 12.9420 13.7927 13.8353 k = 0.5724-0.0418 0.4942 ( 2298 PWs) bands (ev): -10.6055 -10.6009 -10.5949 -10.5879 -9.6117 -9.6047 -9.5613 -9.5536 -9.5483 -9.5440 3.3734 3.4116 6.5022 6.5782 7.9485 8.0679 9.0638 9.1025 9.1699 9.1911 9.4192 9.4430 9.6291 9.7461 9.9893 10.0968 10.1773 10.2412 11.5489 11.5665 12.2682 12.3309 12.9204 12.9550 13.7375 13.7811 k = 0.5658-0.0380 0.5049 ( 2300 PWs) bands (ev): -10.6055 -10.6009 -10.5952 -10.5877 -9.6118 -9.6047 -9.5615 -9.5534 -9.5483 -9.5439 3.3773 3.4159 6.5170 6.5982 7.9166 8.0386 9.0640 9.1036 9.1835 9.2189 9.4238 9.4487 9.6206 9.7350 9.9825 10.0858 10.1633 10.2323 11.5465 11.5642 12.2721 12.3381 12.9353 12.9708 13.6835 13.7278 k = 0.5592-0.0342 0.5157 ( 2295 PWs) bands (ev): -10.6055 -10.6009 -10.5954 -10.5875 -9.6119 -9.6046 -9.5616 -9.5533 -9.5484 -9.5438 3.3815 3.4205 6.5326 6.6195 7.8834 8.0090 9.0621 9.1037 9.2002 9.2475 9.4288 9.4549 9.6114 9.7230 9.9745 10.0735 10.1504 10.2238 11.5443 11.5620 12.2750 12.3438 12.9532 12.9894 13.6310 13.6758 k = 0.5526-0.0304 0.5264 ( 2293 PWs) bands (ev): -10.6056 -10.6009 -10.5956 -10.5873 -9.6119 -9.6046 -9.5618 -9.5531 -9.5484 -9.5437 3.3857 3.4251 6.5486 6.6416 7.8498 7.9797 9.0588 9.1026 9.2192 9.2759 9.4343 9.4614 9.6017 9.7103 9.9651 10.0604 10.1388 10.2159 11.5423 11.5599 12.2768 12.3478 12.9742 13.0108 13.5803 13.6254 k = 0.5461-0.0266 0.5372 ( 2293 PWs) bands (ev): -10.6056 -10.6009 -10.5958 -10.5871 -9.6120 -9.6046 -9.5619 -9.5530 -9.5485 -9.5437 3.3899 3.4298 6.5646 6.6641 7.8163 7.9514 9.0550 9.1007 9.2392 9.3034 9.4402 9.4681 9.5916 9.6972 9.9545 10.0472 10.1285 10.2088 11.5405 11.5581 12.2777 12.3503 12.9978 13.0346 13.5318 13.5767 k = 0.5395-0.0228 0.5479 ( 2295 PWs) bands (ev): -10.6057 -10.6009 -10.5959 -10.5870 -9.6121 -9.6046 -9.5621 -9.5529 -9.5485 -9.5436 3.3940 3.4343 6.5802 6.6864 7.7838 7.9248 9.0510 9.0984 9.2594 9.3291 9.4467 9.4749 9.5814 9.6839 9.9427 10.0347 10.1197 10.2027 11.5389 11.5565 12.2779 12.3514 13.0236 13.0605 13.4857 13.5301 k = 0.5329-0.0190 0.5587 ( 2294 PWs) bands (ev): -10.6057 -10.6009 -10.5960 -10.5868 -9.6121 -9.6046 -9.5622 -9.5528 -9.5486 -9.5436 3.3979 3.4385 6.5947 6.7076 7.7534 7.9006 9.0472 9.0959 9.2788 9.3522 9.4537 9.4813 9.5713 9.6709 9.9305 10.0232 10.1124 10.1975 11.5376 11.5552 12.2774 12.3516 13.0510 13.0877 13.4424 13.4858 k = 0.5263-0.0152 0.5694 ( 2293 PWs) bands (ev): -10.6057 -10.6009 -10.5961 -10.5867 -9.6122 -9.6045 -9.5623 -9.5527 -9.5486 -9.5435 3.4014 3.4423 6.6077 6.7271 7.7260 7.8794 9.0437 9.0935 9.2967 9.3717 9.4613 9.4874 9.5616 9.6589 9.9184 10.0133 10.1064 10.1933 11.5364 11.5542 12.2766 12.3510 13.0792 13.1154 13.4026 13.4443 k = 0.5197-0.0114 0.5801 ( 2291 PWs) bands (ev): -10.6058 -10.6009 -10.5962 -10.5866 -9.6122 -9.6045 -9.5623 -9.5526 -9.5486 -9.5435 3.4044 3.4456 6.6186 6.7437 7.7029 7.8619 9.0407 9.0914 9.3123 9.3865 9.4692 9.4932 9.5523 9.6485 9.9076 10.0052 10.1018 10.1900 11.5355 11.5535 12.2757 12.3502 13.1067 13.1421 13.3674 13.4064 k = 0.5132-0.0076 0.5909 ( 2287 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5866 -9.6122 -9.6045 -9.5624 -9.5526 -9.5486 -9.5434 3.4068 3.4482 6.6269 6.7566 7.6851 7.8488 9.0385 9.0897 9.3246 9.3963 9.4763 9.4990 9.5437 9.6408 9.8988 9.9992 10.0986 10.1878 11.5349 11.5530 12.2750 12.3493 13.1318 13.1653 13.3389 13.3738 k = 0.5066-0.0038 0.6016 ( 2287 PWs) bands (ev): -10.6058 -10.6009 -10.5963 -10.5865 -9.6123 -9.6045 -9.5624 -9.5525 -9.5487 -9.5434 3.4083 3.4498 6.6321 6.7648 7.6738 7.8406 9.0371 9.0886 9.3326 9.4015 9.4811 9.5048 9.5364 9.6361 9.8929 9.9954 10.0967 10.1864 11.5345 11.5527 12.2745 12.3486 13.1506 13.1814 13.3207 13.3498 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6058 -10.6008 -10.5962 -10.5865 -9.6122 -9.6045 -9.5624 -9.5525 -9.5486 -9.5434 3.4088 3.4504 6.6339 6.7677 7.6699 7.8378 9.0366 9.0883 9.3354 9.4031 9.4829 9.5078 9.5331 9.6347 9.8909 9.9942 10.0961 10.1860 11.5344 11.5527 12.2743 12.3484 13.1578 13.1870 13.3148 13.3405 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -10.6058 -10.6008 -10.5962 -10.5865 -9.6122 -9.6045 -9.5624 -9.5525 -9.5486 -9.5434 3.4088 3.4504 6.6339 6.7677 7.6699 7.8378 9.0366 9.0883 9.3354 9.4031 9.4829 9.5078 9.5331 9.6347 9.8909 9.9942 10.0961 10.1860 11.5344 11.5527 12.2743 12.3484 13.1578 13.1870 13.3148 13.3405 k = 0.5000 0.0078 0.6013 ( 2280 PWs) bands (ev): -10.6058 -10.6008 -10.5962 -10.5865 -9.6123 -9.6045 -9.5624 -9.5525 -9.5486 -9.5434 3.4076 3.4492 6.6350 6.7687 7.6694 7.8372 9.0375 9.0890 9.3298 9.4002 9.4835 9.5047 9.5370 9.6359 9.8938 9.9954 10.0963 10.1861 11.5352 11.5534 12.2741 12.3484 13.1452 13.1769 13.3266 13.3580 k = 0.5000 0.0156 0.5903 ( 2292 PWs) bands (ev): -10.6058 -10.6009 -10.5962 -10.5866 -9.6122 -9.6045 -9.5624 -9.5526 -9.5486 -9.5434 3.4038 3.4453 6.6384 6.7718 7.6679 7.8356 9.0401 9.0912 9.3147 9.3898 9.4856 9.5002 9.5449 9.6392 9.9022 9.9993 10.0970 10.1864 11.5377 11.5558 12.2734 12.3483 13.1177 13.1511 13.3600 13.3978 k = 0.5000 0.0234 0.5793 ( 2294 PWs) bands (ev): -10.6058 -10.6009 -10.5961 -10.5866 -9.6122 -9.6045 -9.5623 -9.5528 -9.5485 -9.5435 3.3976 3.4390 6.6438 6.7768 7.6656 7.8330 9.0444 9.0948 9.2933 9.3706 9.4890 9.4982 9.5537 9.6438 9.9152 10.0055 10.0981 10.1870 11.5420 11.5599 12.2724 12.3482 13.0858 13.1188 13.4069 13.4482 k = 0.5000 0.0312 0.5682 ( 2294 PWs) bands (ev): -10.6058 -10.6009 -10.5960 -10.5867 -9.6122 -9.6045 -9.5623 -9.5529 -9.5484 -9.5435 3.3891 3.4303 6.6511 6.7833 7.6628 7.8298 9.0498 9.0996 9.2683 9.3441 9.4925 9.4995 9.5625 9.6489 9.9316 10.0136 10.0997 10.1878 11.5480 11.5657 12.2710 12.3479 13.0534 13.0851 13.4619 13.5051 k = 0.5000 0.0390 0.5572 ( 2290 PWs) bands (ev): -10.6058 -10.6009 -10.5958 -10.5867 -9.6121 -9.6044 -9.5622 -9.5531 -9.5482 -9.5436 3.3783 3.4192 6.6599 6.7910 7.6600 7.8262 9.0558 9.1051 9.2419 9.3127 9.4954 9.5034 9.5713 9.6542 9.9499 10.0230 10.1016 10.1888 11.5559 11.5732 12.2694 12.3474 13.0214 13.0518 13.5231 13.5673 k = 0.5000 0.0468 0.5462 ( 2290 PWs) bands (ev): -10.6058 -10.6008 -10.5956 -10.5868 -9.6120 -9.6044 -9.5621 -9.5533 -9.5480 -9.5437 3.3653 3.4059 6.6700 6.7995 7.6577 7.8227 9.0608 9.1107 9.2164 9.2789 9.4984 9.5084 9.5797 9.6593 9.9691 10.0332 10.1039 10.1900 11.5656 11.5827 12.2675 12.3465 12.9903 13.0193 13.5896 13.6343 k = 0.5000 0.0546 0.5351 ( 2292 PWs) bands (ev): -10.6059 -10.6008 -10.5954 -10.5869 -9.6119 -9.6044 -9.5619 -9.5536 -9.5479 -9.5438 3.3504 3.3907 6.6808 6.8080 7.6565 7.8196 9.0620 9.1157 9.1944 9.2455 9.5018 9.5137 9.5879 9.6643 9.9882 10.0437 10.1064 10.1912 11.5773 11.5942 12.2654 12.3453 12.9600 12.9880 13.6609 13.7057 k = 0.5000 0.0624 0.5241 ( 2292 PWs) bands (ev): -10.6058 -10.6008 -10.5952 -10.5870 -9.6118 -9.6044 -9.5618 -9.5538 -9.5477 -9.5439 3.3337 3.3735 6.6917 6.8160 7.6571 7.8176 9.0551 9.1188 9.1776 9.2179 9.5058 9.5192 9.5956 9.6693 10.0064 10.0538 10.1092 10.1925 11.5910 11.6077 12.2631 12.3435 12.9304 12.9578 13.7368 13.7814 k = 0.5000 0.0702 0.5131 ( 2290 PWs) bands (ev): -10.6058 -10.6008 -10.5949 -10.5872 -9.6117 -9.6043 -9.5616 -9.5540 -9.5476 -9.5440 3.3155 3.3547 6.7024 6.8228 7.6603 7.8173 9.0381 9.1138 9.1660 9.2048 9.5104 9.5249 9.6030 9.6743 10.0231 10.0632 10.1122 10.1938 11.6067 11.6233 12.2606 12.3413 12.9014 12.9285 13.8169 13.8612 k = 0.5000 0.0780 0.5020 ( 2288 PWs) bands (ev): -10.6058 -10.6008 -10.5947 -10.5873 -9.6115 -9.6043 -9.5614 -9.5542 -9.5475 -9.5441 3.2958 3.3344 6.7122 6.8278 7.6667 7.8191 9.0134 9.0915 9.1674 9.2062 9.5155 9.5307 9.6102 9.6794 10.0379 10.0714 10.1154 10.1952 11.6244 11.6410 12.2579 12.3384 12.8728 12.9001 13.9009 13.9450 k = 0.5000 0.0858 0.4910 ( 2294 PWs) bands (ev): -10.6057 -10.6007 -10.5944 -10.5875 -9.6114 -9.6043 -9.5613 -9.5545 -9.5473 -9.5443 3.2749 3.3128 6.7205 6.8302 7.6770 7.8237 8.9844 9.0589 9.1787 9.2149 9.5210 9.5367 9.6170 9.6844 10.0504 10.0780 10.1190 10.1966 11.6440 11.6608 12.2548 12.3350 12.8445 12.8724 13.9885 14.0325 k = 0.5000 0.0936 0.4800 ( 2294 PWs) bands (ev): -10.6057 -10.6007 -10.5942 -10.5877 -9.6112 -9.6043 -9.5611 -9.5547 -9.5472 -9.5444 3.2530 3.2902 6.7268 6.8297 7.6916 7.8316 8.9536 9.0234 9.1941 9.2272 9.5271 9.5430 9.6236 9.6896 10.0604 10.0830 10.1230 10.1981 11.6654 11.6826 12.2513 12.3309 12.8165 12.8454 14.0793 14.1236 k = 0.5000 0.1014 0.4689 ( 2290 PWs) bands (ev): -10.6056 -10.6006 -10.5939 -10.5878 -9.6110 -9.6042 -9.5608 -9.5549 -9.5471 -9.5446 3.2303 3.2667 6.7308 6.8260 7.7109 7.8431 8.9223 8.9874 9.2118 9.2417 9.5335 9.5494 9.6302 9.6949 10.0677 10.0862 10.1273 10.1994 11.6884 11.7064 12.2475 12.3263 12.7886 12.8190 14.1729 14.2179 k = 0.5000 0.1092 0.4579 ( 2294 PWs) bands (ev): -10.6055 -10.6005 -10.5937 -10.5880 -9.6108 -9.6042 -9.5606 -9.5551 -9.5471 -9.5448 3.2070 3.2425 6.7320 6.8189 7.7347 7.8586 8.8912 8.9520 9.2308 9.2577 9.5403 9.5561 9.6367 9.7002 10.0724 10.0877 10.1318 10.2006 11.7129 11.7320 12.2432 12.3210 12.7610 12.7930 14.2691 14.3152 k = 0.5000 0.1170 0.4469 ( 2298 PWs) bands (ev): -10.6054 -10.6005 -10.5934 -10.5883 -9.6106 -9.6042 -9.5604 -9.5553 -9.5470 -9.5449 3.1834 3.2178 6.7304 6.8087 7.7631 7.8782 8.8607 8.9175 9.2508 9.2746 9.5475 9.5630 9.6431 9.7056 10.0747 10.0875 10.1363 10.2016 11.7387 11.7592 12.2384 12.3152 12.7336 12.7675 14.3674 14.4150 k = 0.5000 0.1248 0.4358 ( 2298 PWs) bands (ev): -10.6053 -10.6004 -10.5932 -10.5885 -9.6104 -9.6042 -9.5601 -9.5554 -9.5470 -9.5451 3.1595 3.1929 6.7259 6.7955 7.7957 7.9019 8.8311 8.8842 9.2715 9.2924 9.5549 9.5700 9.6496 9.7111 10.0750 10.0859 10.1403 10.2021 11.7656 11.7878 12.2332 12.3088 12.7064 12.7425 14.4674 14.5170 k = 0.5000 0.1326 0.4248 ( 2296 PWs) bands (ev): -10.6051 -10.6003 -10.5930 -10.5887 -9.6102 -9.6042 -9.5598 -9.5556 -9.5470 -9.5453 3.1356 3.1679 6.7186 6.7797 7.8321 7.9294 8.8027 8.8523 9.2927 9.3109 9.5626 9.5772 9.6561 9.7167 10.0736 10.0830 10.1437 10.2020 11.7932 11.8174 12.2276 12.3019 12.6795 12.7179 14.5688 14.6207 k = 0.5000 0.1404 0.4138 ( 2302 PWs) bands (ev): -10.6049 -10.6002 -10.5928 -10.5889 -9.6099 -9.6042 -9.5596 -9.5557 -9.5470 -9.5456 3.1119 3.1429 6.7087 6.7618 7.8717 7.9604 8.7756 8.8219 9.3144 9.3299 9.5705 9.5845 9.6627 9.7224 10.0708 10.0791 10.1461 10.2013 11.8213 11.8479 12.2216 12.2946 12.6529 12.6937 14.6711 14.7254 k = 0.5000 0.1482 0.4027 ( 2306 PWs) bands (ev): -10.6047 -10.6001 -10.5927 -10.5892 -9.6097 -9.6042 -9.5593 -9.5558 -9.5471 -9.5458 3.0884 3.1182 6.6965 6.7423 7.9139 7.9945 8.7498 8.7930 9.3364 9.3495 9.5786 9.5919 9.6693 9.7280 10.0667 10.0744 10.1474 10.1997 11.8495 11.8788 12.2153 12.2870 12.6269 12.6701 14.7741 14.8307 k = 0.5000 0.1560 0.3917 ( 2304 PWs) bands (ev): -10.6045 -10.6000 -10.5925 -10.5894 -9.6095 -9.6042 -9.5590 -9.5559 -9.5471 -9.5460 3.0655 3.0939 6.6825 6.7215 7.9581 8.0312 8.7255 8.7657 9.3585 9.3696 9.5867 9.5994 9.6760 9.7338 10.0617 10.0692 10.1474 10.1971 11.8776 11.9098 12.2088 12.2790 12.6014 12.6472 14.8770 14.9358 k = 0.5000 0.1638 0.3807 ( 2302 PWs) bands (ev): -10.6043 -10.5999 -10.5924 -10.5896 -9.6092 -9.6042 -9.5587 -9.5560 -9.5472 -9.5463 3.0432 3.0702 6.6669 6.6999 8.0038 8.0699 8.7028 8.7401 9.3806 9.3902 9.5950 9.6071 9.6828 9.7396 10.0558 10.0636 10.1461 10.1935 11.9052 11.9406 12.2023 12.2709 12.5767 12.6249 14.9796 15.0400 k = 0.5000 0.1716 0.3696 ( 2308 PWs) bands (ev): -10.6041 -10.5998 -10.5922 -10.5899 -9.6090 -9.6042 -9.5584 -9.5560 -9.5473 -9.5465 3.0216 3.0472 6.6503 6.6780 8.0502 8.1100 8.6816 8.7161 9.4024 9.4113 9.6031 9.6148 9.6897 9.7455 10.0493 10.0576 10.1433 10.1887 11.9320 11.9708 12.1960 12.2627 12.5528 12.6034 15.0813 15.1424 k = 0.5000 0.1794 0.3586 ( 2308 PWs) bands (ev): -10.6038 -10.5997 -10.5922 -10.5901 -9.6087 -9.6042 -9.5581 -9.5560 -9.5474 -9.5468 3.0009 3.0250 6.6330 6.6560 8.0968 8.1508 8.6620 8.6938 9.4239 9.4329 9.6114 9.6227 9.6966 9.7515 10.0425 10.0515 10.1390 10.1827 11.9575 11.9999 12.1899 12.2545 12.5301 12.5829 15.1815 15.2419 k = 0.5000 0.1872 0.3476 ( 2304 PWs) bands (ev): -10.6035 -10.5996 -10.5921 -10.5904 -9.6084 -9.6042 -9.5578 -9.5560 -9.5476 -9.5470 2.9812 3.0037 6.6154 6.6344 8.1430 8.1916 8.6441 8.6733 9.4450 9.4549 9.6196 9.6308 9.7035 9.7575 10.0356 10.0452 10.1333 10.1755 11.9815 12.0275 12.1844 12.2465 12.5086 12.5634 15.2795 15.3373 k = 0.5000 0.1951 0.3365 ( 2306 PWs) bands (ev): -10.6032 -10.5995 -10.5920 -10.5906 -9.6082 -9.6043 -9.5575 -9.5560 -9.5477 -9.5472 2.9626 2.9836 6.5978 6.6134 8.1881 8.2319 8.6280 8.6545 9.4656 9.4769 9.6278 9.6390 9.7105 9.7637 10.0287 10.0388 10.1259 10.1669 12.0035 12.0531 12.1797 12.2387 12.4888 12.5451 15.3745 15.4270 k = 0.5000 0.2029 0.3255 ( 2306 PWs) bands (ev): -10.6029 -10.5994 -10.5920 -10.5908 -9.6079 -9.6043 -9.5572 -9.5559 -9.5479 -9.5475 2.9452 2.9646 6.5806 6.5932 8.2317 8.2709 8.6137 8.6375 9.4857 9.4987 9.6361 9.6474 9.7176 9.7700 10.0220 10.0325 10.1170 10.1570 12.0234 12.0760 12.1761 12.2312 12.4709 12.5281 15.4658 15.5090 k = 0.5000 0.2107 0.3145 ( 2308 PWs) bands (ev): -10.6026 -10.5994 -10.5920 -10.5911 -9.6077 -9.6044 -9.5569 -9.5559 -9.5480 -9.5477 2.9291 2.9468 6.5640 6.5742 8.2730 8.3080 8.6013 8.6224 9.5051 9.5197 9.6446 9.6559 9.7248 9.7766 10.0156 10.0263 10.1066 10.1458 12.0407 12.0956 12.1742 12.2243 12.4551 12.5126 15.5517 15.5811 k = 0.5000 0.2185 0.3034 ( 2310 PWs) bands (ev): -10.6023 -10.5993 -10.5920 -10.5913 -9.6074 -9.6044 -9.5567 -9.5558 -9.5482 -9.5480 2.9144 2.9304 6.5482 6.5564 8.3116 8.3424 8.5910 8.6094 9.5236 9.5397 9.6536 9.6645 9.7323 9.7834 10.0095 10.0202 10.0948 10.1333 12.0554 12.1110 12.1743 12.2179 12.4419 12.4986 15.6258 15.6440 k = 0.5000 0.2263 0.2924 ( 2312 PWs) bands (ev): -10.6020 -10.5993 -10.5920 -10.5915 -9.6072 -9.6045 -9.5564 -9.5557 -9.5484 -9.5482 2.9012 2.9155 6.5336 6.5401 8.3467 8.3735 8.5829 8.5984 9.5410 9.5578 9.6631 9.6731 9.7403 9.7908 10.0038 10.0144 10.0817 10.1198 12.0674 12.1216 12.1767 12.2122 12.4315 12.4861 15.6655 15.7002 k = 0.5000 0.2341 0.2814 ( 2310 PWs) bands (ev): -10.6017 -10.5992 -10.5920 -10.5916 -9.6069 -9.6046 -9.5562 -9.5556 -9.5486 -9.5484 2.8894 2.9020 6.5203 6.5253 8.3777 8.4005 8.5774 8.5899 9.5568 9.5738 9.6731 9.6816 9.7491 9.7987 9.9985 10.0089 10.0676 10.1052 12.0771 12.1277 12.1809 12.2073 12.4239 12.4752 15.6696 15.6852 k = 0.5000 0.2419 0.2703 ( 2312 PWs) bands (ev): -10.6014 -10.5992 -10.5920 -10.5918 -9.6067 -9.6047 -9.5559 -9.5555 -9.5487 -9.5486 2.8793 2.8901 6.5084 6.5123 8.4041 8.4229 8.5745 8.5839 9.5710 9.5870 9.6834 9.6897 9.7592 9.8073 9.9936 10.0036 10.0528 10.0899 12.0847 12.1303 12.1855 12.2032 12.4193 12.4658 15.6489 15.6528 k = 0.5000 0.2497 0.2593 ( 2314 PWs) bands (ev): -10.6011 -10.5993 -10.5921 -10.5919 -9.6065 -9.6048 -9.5557 -9.5554 -9.5489 -9.5488 2.8707 2.8798 6.4982 6.5011 8.4253 8.4401 8.5743 8.5806 9.5832 9.5975 9.6931 9.6972 9.7709 9.8164 9.9890 9.9985 10.0382 10.0742 12.0908 12.1305 12.1894 12.2000 12.4172 12.4578 15.6187 15.6190 k = 0.5000 0.2575 0.2483 ( 2306 PWs) bands (ev): -10.6008 -10.5993 -10.5921 -10.5920 -9.6062 -9.6049 -9.5555 -9.5553 -9.5490 -9.5490 2.8639 2.8711 6.4897 6.4918 8.4413 8.4523 8.5763 8.5800 9.5934 9.6052 9.7016 9.7038 9.7845 9.8257 9.9845 9.9930 10.0252 10.0587 12.0960 12.1289 12.1922 12.1977 12.4174 12.4509 15.5876 15.5894 k = 0.5000 0.2653 0.2372 ( 2306 PWs) bands (ev): -10.6005 -10.5994 -10.5921 -10.5921 -9.6060 -9.6050 -9.5554 -9.5553 -9.5491 -9.5491 2.8587 2.8641 6.4830 6.4845 8.4524 8.4601 8.5796 8.5813 9.6015 9.6106 9.7083 9.7092 9.7993 9.8342 9.9801 9.9861 10.0157 10.0441 12.1006 12.1261 12.1938 12.1961 12.4192 12.4449 15.5621 15.5641 k = 0.5000 0.2731 0.2262 ( 2308 PWs) bands (ev): -10.6003 -10.5995 -10.5922 -10.5922 -9.6058 -9.6052 -9.5553 -9.5552 -9.5492 -9.5492 2.8552 2.8589 6.4782 6.4792 8.4596 8.4644 8.5830 8.5835 9.6077 9.6137 9.7129 9.7132 9.8144 9.8404 9.9758 9.9785 10.0111 10.0313 12.1051 12.1225 12.1945 12.1952 12.4222 12.4395 15.5433 15.5450 k = 0.5000 0.2809 0.2152 ( 2316 PWs) bands (ev): -10.6001 -10.5997 -10.5922 -10.5922 -9.6057 -9.6053 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8553 6.4754 6.4759 8.4638 8.4662 8.5854 8.5854 9.6119 9.6149 9.7156 9.7156 9.8279 9.8420 9.9721 9.9725 10.0109 10.0211 12.1095 12.1184 12.1947 12.1948 12.4259 12.4346 15.5321 15.5330 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -10.5999 -10.5999 -10.5923 -10.5923 -9.6055 -9.6055 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8535 6.4746 6.4746 8.4659 8.4659 8.5862 8.5862 9.6143 9.6143 9.7164 9.7164 9.8377 9.8377 9.9704 9.9704 10.0142 10.0142 12.1140 12.1140 12.1947 12.1947 12.4301 12.4301 15.5286 15.5286 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -10.5999 -10.5999 -10.5923 -10.5923 -9.6055 -9.6055 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8535 6.4746 6.4746 8.4659 8.4659 8.5862 8.5862 9.6143 9.6143 9.7164 9.7164 9.8377 9.8377 9.9704 9.9704 10.0142 10.0142 12.1140 12.1140 12.1947 12.1947 12.4301 12.4301 15.5286 15.5286 k = 0.4961 0.2864 0.2169 ( 2315 PWs) bands (ev): -10.6001 -10.5997 -10.5922 -10.5922 -9.6057 -9.6053 -9.5552 -9.5552 -9.5493 -9.5493 2.8535 2.8553 6.4754 6.4759 8.4638 8.4662 8.5854 8.5854 9.6119 9.6149 9.7156 9.7156 9.8279 9.8420 9.9721 9.9725 10.0109 10.0211 12.1095 12.1184 12.1947 12.1948 12.4259 12.4347 15.5321 15.5330 k = 0.4922 0.2842 0.2296 ( 2313 PWs) bands (ev): -10.6003 -10.5995 -10.5922 -10.5922 -9.6059 -9.6052 -9.5553 -9.5552 -9.5492 -9.5492 2.8552 2.8589 6.4782 6.4792 8.4596 8.4644 8.5831 8.5833 9.6077 9.6137 9.7129 9.7132 9.8143 9.8403 9.9759 9.9783 10.0111 10.0313 12.1051 12.1225 12.1948 12.1949 12.4222 12.4395 15.5434 15.5450 k = 0.4883 0.2819 0.2424 ( 2307 PWs) bands (ev): -10.6005 -10.5994 -10.5921 -10.5921 -9.6060 -9.6050 -9.5554 -9.5553 -9.5491 -9.5491 2.8587 2.8641 6.4830 6.4845 8.4524 8.4600 8.5802 8.5806 9.6015 9.6105 9.7083 9.7092 9.7993 9.8342 9.9805 9.9857 10.0158 10.0441 12.1006 12.1262 12.1947 12.1951 12.4192 12.4449 15.5622 15.5641 k = 0.4844 0.2797 0.2552 ( 2312 PWs) bands (ev): -10.6008 -10.5993 -10.5921 -10.5920 -9.6063 -9.6049 -9.5556 -9.5553 -9.5490 -9.5490 2.8639 2.8711 6.4897 6.4919 8.4414 8.4520 8.5778 8.5785 9.5934 9.6052 9.7016 9.7037 9.7844 9.8255 9.9855 9.9921 10.0253 10.0587 12.0961 12.1290 12.1943 12.1951 12.4175 12.4509 15.5877 15.5894 k = 0.4805 0.2774 0.2679 ( 2312 PWs) bands (ev): -10.6011 -10.5993 -10.5920 -10.5920 -9.6065 -9.6048 -9.5557 -9.5554 -9.5489 -9.5488 2.8708 2.8798 6.4982 6.5012 8.4257 8.4395 8.5769 8.5780 9.5832 9.5973 9.6932 9.6971 9.7709 9.8161 9.9907 9.9972 10.0384 10.0741 12.0912 12.1309 12.1936 12.1945 12.4176 12.4580 15.6183 15.6188 k = 0.4766 0.2751 0.2807 ( 2306 PWs) bands (ev): -10.6014 -10.5992 -10.5920 -10.5918 -9.6067 -9.6047 -9.5559 -9.5555 -9.5488 -9.5486 2.8793 2.8902 6.5085 6.5124 8.4049 8.4220 8.5785 8.5797 9.5710 9.5867 9.6835 9.6894 9.7593 9.8068 9.9964 10.0019 10.0529 10.0897 12.0858 12.1316 12.1923 12.1925 12.4204 12.4663 15.6477 15.6496 k = 0.4727 0.2729 0.2934 ( 2310 PWs) bands (ev): -10.6017 -10.5992 -10.5919 -10.5917 -9.6069 -9.6046 -9.5561 -9.5556 -9.5486 -9.5484 2.8895 2.9021 6.5204 6.5254 8.3790 8.3995 8.5828 8.5839 9.5570 9.5732 9.6734 9.6810 9.7492 9.7979 10.0024 10.0069 10.0674 10.1048 12.0796 12.1310 12.1885 12.1904 12.4265 12.4762 15.6657 15.6685 k = 0.4688 0.2706 0.3062 ( 2311 PWs) bands (ev): -10.6020 -10.5993 -10.5919 -10.5916 -9.6072 -9.6045 -9.5564 -9.5557 -9.5485 -9.5481 2.9013 2.9156 6.5337 6.5401 8.3485 8.3726 8.5896 8.5904 9.5413 9.5569 9.6636 9.6722 9.7405 9.7897 10.0091 10.0124 10.0811 10.1190 12.0722 12.1289 12.1822 12.1879 12.4364 12.4880 15.6514 15.6567 k = 0.4648 0.2684 0.3189 ( 2311 PWs) bands (ev): -10.6023 -10.5993 -10.5918 -10.5914 -9.6074 -9.6044 -9.5566 -9.5558 -9.5483 -9.5479 2.9146 2.9306 6.5482 6.5563 8.3140 8.3421 8.5986 8.5991 9.5241 9.5383 9.6545 9.6630 9.7324 9.7821 10.0164 10.0187 10.0937 10.1322 12.0633 12.1251 12.1736 12.1848 12.4504 12.5020 15.5997 15.6166 k = 0.4609 0.2661 0.3317 ( 2315 PWs) bands (ev): -10.6026 -10.5994 -10.5918 -10.5913 -9.6077 -9.6044 -9.5569 -9.5559 -9.5482 -9.5476 2.9293 2.9470 6.5638 6.5739 8.2763 8.3086 8.6096 8.6096 9.5058 9.5178 9.6459 9.6536 9.7249 9.7750 10.0242 10.0256 10.1049 10.1441 12.0525 12.1186 12.1638 12.1812 12.4682 12.5182 15.5312 15.5561 k = 0.4570 0.2639 0.3445 ( 2313 PWs) bands (ev): -10.6029 -10.5995 -10.5917 -10.5911 -9.6079 -9.6043 -9.5572 -9.5560 -9.5480 -9.5473 2.9454 2.9648 6.5802 6.5926 8.2360 8.2730 8.6218 8.6224 9.4867 9.4961 9.6378 9.6439 9.7176 9.7685 10.0328 10.0333 10.1145 10.1546 12.0398 12.1081 12.1543 12.1774 12.4896 12.5368 15.4544 15.4843 k = 0.4531 0.2616 0.3572 ( 2306 PWs) bands (ev): -10.6032 -10.5995 -10.5917 -10.5909 -9.6082 -9.6043 -9.5574 -9.5561 -9.5479 -9.5471 2.9629 2.9838 6.5970 6.6121 8.1939 8.2362 8.6356 8.6366 9.4670 9.4735 9.6300 9.6341 9.7107 9.7624 10.0418 10.0419 10.1224 10.1637 12.0247 12.0926 12.1466 12.1735 12.5141 12.5575 15.3727 15.4057 k = 0.4492 0.2594 0.3700 ( 2310 PWs) bands (ev): -10.6035 -10.5996 -10.5917 -10.5908 -9.6084 -9.6042 -9.5577 -9.5561 -9.5478 -9.5468 2.9815 3.0040 6.6138 6.6322 8.1508 8.1988 8.6506 8.6522 9.4469 9.4504 9.6223 9.6241 9.7039 9.7567 10.0508 10.0516 10.1286 10.1713 12.0074 12.0726 12.1409 12.1697 12.5412 12.5803 15.2878 15.3227 k = 0.4453 0.2571 0.3827 ( 2311 PWs) bands (ev): -10.6038 -10.5997 -10.5917 -10.5906 -9.6087 -9.6042 -9.5579 -9.5562 -9.5477 -9.5465 3.0012 3.0253 6.6303 6.6524 8.1074 8.1617 8.6668 8.6691 9.4265 9.4270 9.6137 9.6144 9.6974 9.7516 10.0605 10.0618 10.1330 10.1775 11.9878 12.0490 12.1365 12.1663 12.5704 12.6050 15.2011 15.2371 k = 0.4414 0.2548 0.3955 ( 2303 PWs) bands (ev): -10.6041 -10.5998 -10.5916 -10.5904 -9.6089 -9.6042 -9.5582 -9.5562 -9.5476 -9.5462 3.0219 3.0474 6.6459 6.6722 8.0645 8.1257 8.6841 8.6870 9.4037 9.4061 9.6032 9.6065 9.6913 9.7470 10.0708 10.0725 10.1358 10.1824 11.9662 12.0227 12.1331 12.1633 12.6014 12.6313 15.1133 15.1499 k = 0.4375 0.2526 0.4082 ( 2307 PWs) bands (ev): -10.6043 -10.6000 -10.5917 -10.5903 -9.6092 -9.6042 -9.5584 -9.5562 -9.5475 -9.5460 3.0434 3.0704 6.6601 6.6911 8.0231 8.0917 8.7023 8.7058 9.3803 9.3856 9.5924 9.5981 9.6856 9.7430 10.0815 10.0834 10.1369 10.1860 11.9426 11.9945 12.1304 12.1609 12.6337 12.6588 15.0252 15.0621 k = 0.4336 0.2503 0.4210 ( 2305 PWs) bands (ev): -10.6046 -10.6001 -10.5917 -10.5901 -9.6094 -9.6042 -9.5587 -9.5562 -9.5475 -9.5457 3.0657 3.0940 6.6723 6.7084 7.9841 8.0605 8.7214 8.7255 9.3572 9.3653 9.5812 9.5894 9.6805 9.7399 10.0925 10.0945 10.1366 10.1885 11.9175 11.9650 12.1283 12.1591 12.6668 12.6873 14.9375 14.9745 k = 0.4297 0.2481 0.4338 ( 2307 PWs) bands (ev): -10.6048 -10.6002 -10.5917 -10.5900 -9.6097 -9.6042 -9.5589 -9.5562 -9.5474 -9.5455 3.0886 3.1182 6.6818 6.7234 7.9484 8.0331 8.7412 8.7459 9.3344 9.3452 9.5698 9.5803 9.6761 9.7375 10.1032 10.1055 10.1351 10.1902 11.8911 11.9344 12.1268 12.1579 12.7004 12.7163 14.8508 14.8878 k = 0.4258 0.2458 0.4465 ( 2304 PWs) bands (ev): -10.6050 -10.6003 -10.5918 -10.5899 -9.6099 -9.6042 -9.5591 -9.5561 -9.5474 -9.5453 3.1119 3.1427 6.6881 6.7353 7.9172 8.0101 8.7615 8.7670 9.3120 9.3255 9.5581 9.5706 9.6725 9.7362 10.1124 10.1161 10.1340 10.1914 11.8637 11.9033 12.1261 12.1575 12.7341 12.7455 14.7656 14.8026 k = 0.4219 0.2436 0.4593 ( 2304 PWs) bands (ev): -10.6051 -10.6004 -10.5918 -10.5898 -9.6101 -9.6042 -9.5593 -9.5561 -9.5474 -9.5451 3.1354 3.1673 6.6907 6.7432 7.8914 7.9924 8.7824 8.7885 9.2901 9.3061 9.5461 9.5605 9.6696 9.7358 10.1156 10.1257 10.1376 10.1927 11.8358 11.8720 12.1261 12.1580 12.7674 12.7743 14.6825 14.7195 k = 0.4180 0.2413 0.4720 ( 2304 PWs) bands (ev): -10.6053 -10.6005 -10.5919 -10.5897 -9.6103 -9.6042 -9.5595 -9.5560 -9.5474 -9.5449 3.1590 3.1920 6.6889 6.7465 7.8719 7.9806 8.8036 8.8105 9.2689 9.2872 9.5340 9.5499 9.6675 9.7366 10.1116 10.1336 10.1470 10.1949 11.8076 11.8407 12.1269 12.1594 12.7997 12.8023 14.6020 14.6391 k = 0.4141 0.2391 0.4848 ( 2296 PWs) bands (ev): -10.6054 -10.6005 -10.5920 -10.5896 -9.6105 -9.6042 -9.5596 -9.5559 -9.5474 -9.5447 3.1824 3.2164 6.6826 6.7446 7.8596 7.9750 8.8251 8.8326 9.2484 9.2690 9.5216 9.5390 9.6662 9.7386 10.1043 10.1389 10.1585 10.1989 11.7795 11.8100 12.1289 12.1619 12.8289 12.8305 14.5247 14.5621 k = 0.4102 0.2368 0.4976 ( 2296 PWs) bands (ev): -10.6055 -10.6006 -10.5921 -10.5895 -9.6107 -9.6043 -9.5597 -9.5558 -9.5474 -9.5446 3.2056 3.2403 6.6718 6.7372 7.8547 7.9759 8.8467 8.8549 9.2288 9.2515 9.5091 9.5276 9.6655 9.7417 10.0951 10.1413 10.1704 10.2051 11.7519 11.7799 12.1319 12.1656 12.8536 12.8593 14.4515 14.4891 k = 0.4062 0.2345 0.5103 ( 2299 PWs) bands (ev): -10.6056 -10.6007 -10.5922 -10.5894 -9.6109 -9.6043 -9.5599 -9.5557 -9.5474 -9.5445 3.2281 3.2636 6.6565 6.7242 7.8576 7.9831 8.8682 8.8771 9.2102 9.2349 9.4965 9.5159 9.6654 9.7460 10.0847 10.1411 10.1824 10.2133 11.7250 11.7508 12.1363 12.1706 12.8755 12.8852 14.3828 14.4209 k = 0.4023 0.2323 0.5231 ( 2297 PWs) bands (ev): -10.6057 -10.6007 -10.5923 -10.5894 -9.6110 -9.6044 -9.5600 -9.5555 -9.5475 -9.5444 3.2498 3.2859 6.6371 6.7059 7.8679 7.9965 8.8896 8.8992 9.1927 9.2194 9.4838 9.5040 9.6658 9.7514 10.0733 10.1392 10.1942 10.2227 11.6990 11.7230 12.1421 12.1770 12.8940 12.9075 14.3198 14.3582 k = 0.3984 0.2300 0.5358 ( 2301 PWs) bands (ev): -10.6057 -10.6008 -10.5924 -10.5894 -9.6111 -9.6044 -9.5601 -9.5554 -9.5476 -9.5443 3.2705 3.3070 6.6141 6.6830 7.8852 8.0154 8.9107 8.9208 9.1764 9.2051 9.4712 9.4920 9.6664 9.7577 10.0614 10.1364 10.2055 10.2326 11.6744 11.6966 12.1496 12.1850 12.9085 12.9254 14.2631 14.3019 k = 0.3945 0.2278 0.5486 ( 2299 PWs) bands (ev): -10.6057 -10.6008 -10.5926 -10.5893 -9.6112 -9.6045 -9.5602 -9.5553 -9.5476 -9.5442 3.2898 3.3267 6.5882 6.6563 7.9088 8.0394 8.9314 8.9419 9.1616 9.1921 9.4587 9.4799 9.6671 9.7648 10.0493 10.1334 10.2163 10.2427 11.6513 11.6719 12.1589 12.1948 12.9181 12.9382 14.2137 14.2528 k = 0.3906 0.2255 0.5613 ( 2301 PWs) bands (ev): -10.6057 -10.6009 -10.5927 -10.5893 -9.6113 -9.6046 -9.5603 -9.5551 -9.5477 -9.5442 3.3075 3.3446 6.5600 6.6265 7.9378 8.0676 8.9514 8.9622 9.1483 9.1807 9.4465 9.4678 9.6676 9.7722 10.0376 10.1308 10.2264 10.2525 11.6298 11.6491 12.1702 12.2065 12.9222 12.9450 14.1725 14.2115 k = 0.3867 0.2233 0.5741 ( 2303 PWs) bands (ev): -10.6056 -10.6009 -10.5929 -10.5893 -9.6114 -9.6046 -9.5603 -9.5550 -9.5478 -9.5442 3.3234 3.3605 6.5304 6.5948 7.9714 8.0994 8.9706 8.9816 9.1367 9.1710 9.4345 9.4558 9.6677 9.7794 10.0269 10.1291 10.2358 10.2617 11.6103 11.6281 12.1836 12.2203 12.9205 12.9454 14.1401 14.1788 k = 0.3828 0.2210 0.5869 ( 2307 PWs) bands (ev): -10.6056 -10.6009 -10.5931 -10.5893 -9.6114 -9.6047 -9.5604 -9.5548 -9.5479 -9.5442 3.3370 3.3740 6.5000 6.5618 8.0088 8.1341 8.9889 8.9997 9.1268 9.1632 9.4229 9.4439 9.6671 9.7856 10.0183 10.1287 10.2443 10.2702 11.5927 11.6093 12.1993 12.2362 12.9130 12.9392 14.1170 14.1548 k = 0.3789 0.2188 0.5996 ( 2307 PWs) bands (ev): -10.6055 -10.6010 -10.5932 -10.5893 -9.6114 -9.6048 -9.5604 -9.5547 -9.5480 -9.5442 3.3482 3.3850 6.4696 6.5287 8.0491 8.1709 9.0061 9.0164 9.1189 9.1573 9.4118 9.4322 9.6655 9.7898 10.0127 10.1302 10.2519 10.2779 11.5772 11.5926 12.2173 12.2544 12.8997 12.9266 14.1033 14.1397 k = 0.3750 0.2165 0.6124 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.6250-0.0722 0.4082 ( 2303 PWs) bands (ev): -10.6053 -10.6010 -10.5934 -10.5894 -9.6114 -9.6048 -9.5604 -9.5545 -9.5480 -9.5442 3.3566 3.3930 6.4397 6.4960 8.0916 8.2093 9.0219 9.0314 9.1129 9.1535 9.4013 9.4208 9.6628 9.7910 10.0114 10.1338 10.2585 10.2847 11.5639 11.5780 12.2379 12.2751 12.8814 12.9084 14.0985 14.1331 k = 0.6184-0.0836 0.4082 ( 2313 PWs) bands (ev): -10.6051 -10.6010 -10.5937 -10.5894 -9.6114 -9.6049 -9.5604 -9.5543 -9.5482 -9.5444 3.3676 3.4030 6.3909 6.4425 8.1656 8.2755 9.0468 9.0543 9.1049 9.1496 9.3844 9.4020 9.6561 9.7876 10.0156 10.1428 10.2693 10.2956 11.5437 11.5558 12.2748 12.3119 12.8491 12.8753 14.0956 14.1269 k = 0.6118-0.0950 0.4082 ( 2313 PWs) bands (ev): -10.6048 -10.6010 -10.5940 -10.5895 -9.6113 -9.6051 -9.5603 -9.5540 -9.5483 -9.5445 3.3771 3.4114 6.3435 6.3906 8.2411 8.3426 9.0707 9.0746 9.0982 9.1480 9.3685 9.3840 9.6474 9.7800 10.0251 10.1542 10.2806 10.3069 11.5245 11.5346 12.3119 12.3489 12.8208 12.8463 14.0884 14.1162 k = 0.6053-0.1064 0.4082 ( 2309 PWs) bands (ev): -10.6045 -10.6009 -10.5943 -10.5896 -9.6113 -9.6052 -9.5602 -9.5538 -9.5485 -9.5446 3.3853 3.4183 6.2976 6.3407 8.3174 8.4100 9.0897 9.0909 9.0963 9.1501 9.3535 9.3668 9.6369 9.7685 10.0392 10.1678 10.2924 10.3184 11.5061 11.5145 12.3490 12.3860 12.7969 12.8213 14.0765 14.1010 k = 0.5987-0.1177 0.4082 ( 2301 PWs) bands (ev): -10.6042 -10.6009 -10.5946 -10.5898 -9.6111 -9.6053 -9.5601 -9.5535 -9.5487 -9.5447 3.3922 3.4239 6.2537 6.2930 8.3940 8.4770 9.0867 9.1014 9.1163 9.1572 9.3396 9.3504 9.6245 9.7536 10.0576 10.1835 10.3046 10.3303 11.4886 11.4952 12.3862 12.4230 12.7774 12.8006 14.0599 14.0759 k = 0.5921-0.1291 0.4082 ( 2302 PWs) bands (ev): -10.6038 -10.6009 -10.5948 -10.5899 -9.6110 -9.6055 -9.5599 -9.5533 -9.5489 -9.5449 3.3981 3.4283 6.2118 6.2475 8.4703 8.5429 9.0829 9.1064 9.1367 9.1690 9.3271 9.3349 9.6103 9.7360 10.0793 10.2010 10.3171 10.3423 11.4718 11.4768 12.4235 12.4600 12.7625 12.7841 13.9963 14.0293 k = 0.5855-0.1405 0.4082 ( 2302 PWs) bands (ev): -10.6034 -10.6008 -10.5951 -10.5902 -9.6109 -9.6056 -9.5598 -9.5531 -9.5491 -9.5450 3.4031 3.4316 6.1722 6.2046 8.5457 8.6072 9.0800 9.1082 9.1557 9.1828 9.3163 9.3205 9.5947 9.7161 10.1039 10.2200 10.3299 10.3544 11.4557 11.4592 12.4607 12.4968 12.7521 12.7720 13.9184 13.9522 k = 0.5789-0.1519 0.4082 ( 2302 PWs) bands (ev): -10.6030 -10.6008 -10.5954 -10.5904 -9.6107 -9.6058 -9.5596 -9.5529 -9.5492 -9.5452 3.4073 3.4341 6.1350 6.1642 8.6198 8.6695 9.0779 9.1085 9.1733 9.1963 9.3072 9.3074 9.5777 9.6943 10.1307 10.2401 10.3429 10.3667 11.4403 11.4424 12.4979 12.5335 12.7463 12.7643 13.8429 13.8771 k = 0.5724-0.1633 0.4082 ( 2302 PWs) bands (ev): -10.6026 -10.6007 -10.5956 -10.5907 -9.6106 -9.6060 -9.5594 -9.5528 -9.5494 -9.5454 3.4109 3.4357 6.1004 6.1267 8.6921 8.7293 9.0767 9.1083 9.1891 9.2081 9.2950 9.3012 9.5596 9.6709 10.1590 10.2609 10.3561 10.3792 11.4256 11.4264 12.5350 12.5699 12.7453 12.7610 13.7699 13.8045 k = 0.5658-0.1747 0.4082 ( 2298 PWs) bands (ev): -10.6022 -10.6007 -10.5958 -10.5910 -9.6104 -9.6062 -9.5591 -9.5527 -9.5495 -9.5455 3.4138 3.4367 6.0685 6.0919 8.7621 8.7863 9.0763 9.1078 9.2030 9.2169 9.2840 9.2983 9.5406 9.6462 10.1883 10.2817 10.3693 10.3918 11.4112 11.4115 12.5721 12.6059 12.7488 12.7619 13.6997 13.7345 k = 0.5592-0.1861 0.4082 ( 2288 PWs) bands (ev): -10.6017 -10.6006 -10.5959 -10.5913 -9.6102 -9.6063 -9.5588 -9.5527 -9.5495 -9.5457 3.4163 3.4372 6.0394 6.0602 8.8296 8.8403 9.0765 9.1073 9.2146 9.2221 9.2745 9.2990 9.5210 9.6203 10.2179 10.3020 10.3827 10.4047 11.3968 11.3981 12.6092 12.6416 12.7569 12.7670 13.6323 13.6673 k = 0.5526-0.1975 0.4082 ( 2292 PWs) bands (ev): -10.6013 -10.6005 -10.5961 -10.5916 -9.6100 -9.6065 -9.5585 -9.5528 -9.5495 -9.5459 3.4184 3.4371 6.0132 6.0314 8.8910 8.8942 9.0773 9.1066 9.2235 9.2241 9.2665 9.3029 9.5011 9.5932 10.2469 10.3209 10.3961 10.4178 11.3834 11.3854 12.6461 12.6766 12.7691 12.7759 13.5681 13.6031 k = 0.5461-0.2089 0.4082 ( 2296 PWs) bands (ev): -10.6010 -10.6004 -10.5962 -10.5920 -9.6098 -9.6067 -9.5582 -9.5530 -9.5494 -9.5461 3.4202 3.4368 5.9901 6.0058 8.9386 8.9557 9.0786 9.1057 9.2239 9.2291 9.2604 9.3087 9.4813 9.5651 10.2745 10.3378 10.4097 10.4310 11.3710 11.3735 12.6827 12.7107 12.7852 12.7882 13.5074 13.5420 k = 0.5395-0.2203 0.4082 ( 2294 PWs) bands (ev): -10.6006 -10.6004 -10.5962 -10.5924 -9.6096 -9.6069 -9.5579 -9.5533 -9.5492 -9.5463 3.4218 3.4361 5.9700 5.9833 8.9829 9.0140 9.0803 9.1048 9.2226 9.2308 9.2563 9.3153 9.4620 9.5362 10.2998 10.3523 10.4233 10.4442 11.3598 11.3626 12.7189 12.7436 12.8033 12.8044 13.4506 13.4845 k = 0.5329-0.2317 0.4082 ( 2296 PWs) bands (ev): -10.6004 -10.6003 -10.5962 -10.5928 -9.6094 -9.6071 -9.5575 -9.5536 -9.5490 -9.5466 3.4233 3.4352 5.9531 5.9641 9.0239 9.0681 9.0832 9.1038 9.2210 9.2295 9.2530 9.3215 9.4439 9.5065 10.3222 10.3640 10.4369 10.4567 11.3500 11.3529 12.7543 12.7749 12.8203 12.8255 13.3985 13.4310 k = 0.5263-0.2431 0.4082 ( 2296 PWs) bands (ev): -10.6002 -10.6001 -10.5961 -10.5932 -9.6091 -9.6073 -9.5571 -9.5540 -9.5488 -9.5468 3.4246 3.4342 5.9393 5.9481 9.0615 9.0838 9.1029 9.1211 9.2196 9.2266 9.2483 9.3265 9.4277 9.4766 10.3411 10.3728 10.4500 10.4679 11.3416 11.3443 12.7884 12.8039 12.8377 12.8471 13.3521 13.3822 k = 0.5197-0.2545 0.4082 ( 2294 PWs) bands (ev): -10.6001 -10.6000 -10.5959 -10.5937 -9.6089 -9.6076 -9.5568 -9.5543 -9.5486 -9.5470 3.4258 3.4331 5.9288 5.9353 9.0863 9.0917 9.1062 9.1686 9.2186 9.2231 9.2411 9.3290 9.4139 9.4473 10.3562 10.3788 10.4622 10.4770 11.3351 11.3373 12.8200 12.8296 12.8541 12.8668 13.3132 13.3392 k = 0.5132-0.2659 0.4082 ( 2286 PWs) bands (ev): -10.6000 -10.5999 -10.5956 -10.5941 -9.6087 -9.6078 -9.5564 -9.5547 -9.5483 -9.5473 3.4271 3.4319 5.9216 5.9259 9.0887 9.0965 9.1316 9.2093 9.2179 9.2182 9.2349 9.3266 9.4035 9.4213 10.3677 10.3822 10.4726 10.4831 11.3304 11.3320 12.8473 12.8506 12.8678 12.8819 13.2841 13.3038 k = 0.5066-0.2773 0.4082 ( 2286 PWs) bands (ev): -10.5999 -10.5999 -10.5953 -10.5945 -9.6084 -9.6080 -9.5559 -9.5551 -9.5480 -9.5475 3.4283 3.4307 5.9177 5.9199 9.0910 9.0952 9.1596 9.2046 9.2184 9.2204 9.2579 9.3147 9.3969 9.4030 10.3757 10.3828 10.4804 10.4859 11.3277 11.3285 12.8651 12.8665 12.8783 12.8893 13.2675 13.2783 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -10.5999 -10.5999 -10.5949 -10.5949 -9.6082 -9.6082 -9.5556 -9.5556 -9.5478 -9.5478 3.4295 3.4295 5.9171 5.9171 9.0932 9.0932 9.1844 9.1844 9.2191 9.2191 9.2905 9.2905 9.3957 9.3957 10.3807 10.3807 10.4849 10.4849 11.3270 11.3270 12.8714 12.8714 12.8873 12.8873 13.2656 13.2656 Writing output data file ZrNiSn.save init_run : 0.77s CPU 0.44s WALL ( 1 calls) electrons : 219.18s CPU 124.82s 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 : 219.18s CPU 124.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.21s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.22s WALL ( 346 calls) cegterg : 194.43s CPU 110.65s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 129.37s CPU 71.42s WALL ( 6541 calls) s_psi : 4.13s CPU 2.27s WALL ( 6541 calls) g_psi : 0.16s CPU 0.09s WALL ( 5780 calls) cdiaghg : 69.27s CPU 41.02s WALL ( 6126 calls) cegterg:over : 5.40s CPU 3.03s WALL ( 5780 calls) cegterg:upda : 3.29s CPU 1.98s WALL ( 5780 calls) cegterg:last : 1.88s CPU 1.12s WALL ( 1107 calls) cdiaghg:chol : 3.57s CPU 2.09s WALL ( 6126 calls) cdiaghg:inve : 1.87s CPU 1.14s WALL ( 6126 calls) cdiaghg:para : 3.44s CPU 2.13s WALL ( 12252 calls) Called by h_psi: h_psi:vloc : 118.52s CPU 65.45s WALL ( 6541 calls) h_psi:vnl : 10.69s CPU 5.89s WALL ( 6541 calls) add_vuspsi : 6.65s CPU 3.49s WALL ( 6541 calls) General routines calbec : 3.99s CPU 2.37s WALL ( 6541 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 111.97s CPU 61.90s WALL ( 551832 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.34s CPU 0.35s WALL ( 692 calls) Parallel routines fft_scatter : 44.72s CPU 25.39s WALL ( 551855 calls) PWSCF : 3m49.78s CPU 2m27.42s WALL This run was terminated on: 4:28:17 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=