Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 0:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfNiSn.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 33 23 7 769 460 75 Max 34 24 8 773 474 79 Sum 1213 859 253 27725 16889 2733 bravais-lattice index = 14 lattice parameter (alat) = 8.1297 a.u. unit-cell volume = 379.9305 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.129672 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Hf 12.00 178.49000 Hf( 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 0.0961538), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 -0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211538), wk = 0.0028902 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 -0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 -0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 -0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 -0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038461), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 -0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 -0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954545), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545454), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954545 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117187), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742187), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959459), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 27725 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16889 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 44) NL pseudopotentials 0.09 Mb ( 60, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 770) G-vector shells 0.00 Mb ( 246) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 120, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HfNiSn.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.1 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.7 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.7 secs Computing kpt #: 35 total cpu time spent up to now is 17.1 secs Computing kpt #: 36 total cpu time spent up to now is 17.5 secs Computing kpt #: 37 total cpu time spent up to now is 17.9 secs Computing kpt #: 38 total cpu time spent up to now is 18.3 secs Computing kpt #: 39 total cpu time spent up to now is 18.7 secs Computing kpt #: 40 total cpu time spent up to now is 19.1 secs Computing kpt #: 41 total cpu time spent up to now is 19.8 secs Computing kpt #: 42 total cpu time spent up to now is 20.2 secs Computing kpt #: 43 total cpu time spent up to now is 20.7 secs Computing kpt #: 44 total cpu time spent up to now is 21.1 secs Computing kpt #: 45 total cpu time spent up to now is 21.5 secs Computing kpt #: 46 total cpu time spent up to now is 21.9 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.7 secs Computing kpt #: 49 total cpu time spent up to now is 23.1 secs Computing kpt #: 50 total cpu time spent up to now is 23.5 secs Computing kpt #: 51 total cpu time spent up to now is 23.9 secs Computing kpt #: 52 total cpu time spent up to now is 24.2 secs Computing kpt #: 53 total cpu time spent up to now is 24.6 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.7 secs Computing kpt #: 57 total cpu time spent up to now is 26.1 secs Computing kpt #: 58 total cpu time spent up to now is 26.5 secs Computing kpt #: 59 total cpu time spent up to now is 26.8 secs Computing kpt #: 60 total cpu time spent up to now is 27.2 secs Computing kpt #: 61 total cpu time spent up to now is 27.6 secs Computing kpt #: 62 total cpu time spent up to now is 27.9 secs Computing kpt #: 63 total cpu time spent up to now is 28.2 secs Computing kpt #: 64 total cpu time spent up to now is 28.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.9 secs Computing kpt #: 66 total cpu time spent up to now is 29.3 secs Computing kpt #: 67 total cpu time spent up to now is 29.6 secs Computing kpt #: 68 total cpu time spent up to now is 29.9 secs Computing kpt #: 69 total cpu time spent up to now is 30.3 secs Computing kpt #: 70 total cpu time spent up to now is 30.6 secs Computing kpt #: 71 total cpu time spent up to now is 30.9 secs Computing kpt #: 72 total cpu time spent up to now is 31.3 secs Computing kpt #: 73 total cpu time spent up to now is 31.6 secs Computing kpt #: 74 total cpu time spent up to now is 31.9 secs Computing kpt #: 75 total cpu time spent up to now is 32.2 secs Computing kpt #: 76 total cpu time spent up to now is 32.5 secs Computing kpt #: 77 total cpu time spent up to now is 32.8 secs Computing kpt #: 78 total cpu time spent up to now is 33.2 secs Computing kpt #: 79 total cpu time spent up to now is 33.5 secs Computing kpt #: 80 total cpu time spent up to now is 33.8 secs Computing kpt #: 81 total cpu time spent up to now is 34.1 secs Computing kpt #: 82 total cpu time spent up to now is 34.4 secs Computing kpt #: 83 total cpu time spent up to now is 34.8 secs Computing kpt #: 84 total cpu time spent up to now is 35.1 secs Computing kpt #: 85 total cpu time spent up to now is 35.5 secs Computing kpt #: 86 total cpu time spent up to now is 35.8 secs Computing kpt #: 87 total cpu time spent up to now is 36.2 secs Computing kpt #: 88 total cpu time spent up to now is 36.5 secs Computing kpt #: 89 total cpu time spent up to now is 36.8 secs Computing kpt #: 90 total cpu time spent up to now is 37.2 secs Computing kpt #: 91 total cpu time spent up to now is 37.5 secs Computing kpt #: 92 total cpu time spent up to now is 37.8 secs Computing kpt #: 93 total cpu time spent up to now is 38.2 secs Computing kpt #: 94 total cpu time spent up to now is 38.5 secs Computing kpt #: 95 total cpu time spent up to now is 38.9 secs Computing kpt #: 96 total cpu time spent up to now is 39.2 secs Computing kpt #: 97 total cpu time spent up to now is 39.6 secs Computing kpt #: 98 total cpu time spent up to now is 40.0 secs Computing kpt #: 99 total cpu time spent up to now is 40.4 secs Computing kpt #: 100 total cpu time spent up to now is 40.7 secs Computing kpt #: 101 total cpu time spent up to now is 41.1 secs Computing kpt #: 102 total cpu time spent up to now is 41.5 secs Computing kpt #: 103 total cpu time spent up to now is 41.8 secs Computing kpt #: 104 total cpu time spent up to now is 42.2 secs Computing kpt #: 105 total cpu time spent up to now is 42.6 secs Computing kpt #: 106 total cpu time spent up to now is 43.0 secs Computing kpt #: 107 total cpu time spent up to now is 43.4 secs Computing kpt #: 108 total cpu time spent up to now is 43.8 secs Computing kpt #: 109 total cpu time spent up to now is 44.2 secs Computing kpt #: 110 total cpu time spent up to now is 44.5 secs Computing kpt #: 111 total cpu time spent up to now is 44.9 secs Computing kpt #: 112 total cpu time spent up to now is 45.3 secs Computing kpt #: 113 total cpu time spent up to now is 45.6 secs Computing kpt #: 114 total cpu time spent up to now is 46.0 secs Computing kpt #: 115 total cpu time spent up to now is 46.3 secs Computing kpt #: 116 total cpu time spent up to now is 46.7 secs Computing kpt #: 117 total cpu time spent up to now is 47.0 secs Computing kpt #: 118 total cpu time spent up to now is 47.4 secs Computing kpt #: 119 total cpu time spent up to now is 47.7 secs Computing kpt #: 120 total cpu time spent up to now is 48.1 secs Computing kpt #: 121 total cpu time spent up to now is 48.5 secs Computing kpt #: 122 total cpu time spent up to now is 48.8 secs Computing kpt #: 123 total cpu time spent up to now is 49.2 secs Computing kpt #: 124 total cpu time spent up to now is 49.6 secs Computing kpt #: 125 total cpu time spent up to now is 49.9 secs Computing kpt #: 126 total cpu time spent up to now is 50.3 secs Computing kpt #: 127 total cpu time spent up to now is 50.7 secs Computing kpt #: 128 total cpu time spent up to now is 51.0 secs Computing kpt #: 129 total cpu time spent up to now is 51.5 secs Computing kpt #: 130 total cpu time spent up to now is 51.9 secs Computing kpt #: 131 total cpu time spent up to now is 52.3 secs Computing kpt #: 132 total cpu time spent up to now is 52.7 secs Computing kpt #: 133 total cpu time spent up to now is 53.1 secs Computing kpt #: 134 total cpu time spent up to now is 53.5 secs Computing kpt #: 135 total cpu time spent up to now is 53.8 secs Computing kpt #: 136 total cpu time spent up to now is 54.2 secs Computing kpt #: 137 total cpu time spent up to now is 54.6 secs Computing kpt #: 138 total cpu time spent up to now is 55.0 secs Computing kpt #: 139 total cpu time spent up to now is 55.4 secs Computing kpt #: 140 total cpu time spent up to now is 55.9 secs Computing kpt #: 141 total cpu time spent up to now is 56.3 secs Computing kpt #: 142 total cpu time spent up to now is 56.7 secs Computing kpt #: 143 total cpu time spent up to now is 57.1 secs Computing kpt #: 144 total cpu time spent up to now is 57.6 secs Computing kpt #: 145 total cpu time spent up to now is 58.0 secs Computing kpt #: 146 total cpu time spent up to now is 58.6 secs Computing kpt #: 147 total cpu time spent up to now is 59.1 secs Computing kpt #: 148 total cpu time spent up to now is 59.6 secs Computing kpt #: 149 total cpu time spent up to now is 60.0 secs Computing kpt #: 150 total cpu time spent up to now is 60.5 secs Computing kpt #: 151 total cpu time spent up to now is 61.0 secs Computing kpt #: 152 total cpu time spent up to now is 61.4 secs Computing kpt #: 153 total cpu time spent up to now is 61.8 secs Computing kpt #: 154 total cpu time spent up to now is 62.2 secs Computing kpt #: 155 total cpu time spent up to now is 62.6 secs Computing kpt #: 156 total cpu time spent up to now is 62.9 secs Computing kpt #: 157 total cpu time spent up to now is 63.3 secs Computing kpt #: 158 total cpu time spent up to now is 63.7 secs Computing kpt #: 159 total cpu time spent up to now is 64.1 secs Computing kpt #: 160 total cpu time spent up to now is 64.5 secs Computing kpt #: 161 total cpu time spent up to now is 64.9 secs Computing kpt #: 162 total cpu time spent up to now is 65.4 secs Computing kpt #: 163 total cpu time spent up to now is 65.8 secs Computing kpt #: 164 total cpu time spent up to now is 66.3 secs Computing kpt #: 165 total cpu time spent up to now is 66.8 secs Computing kpt #: 166 total cpu time spent up to now is 67.2 secs Computing kpt #: 167 total cpu time spent up to now is 67.6 secs Computing kpt #: 168 total cpu time spent up to now is 68.1 secs Computing kpt #: 169 total cpu time spent up to now is 68.6 secs Computing kpt #: 170 total cpu time spent up to now is 69.0 secs Computing kpt #: 171 total cpu time spent up to now is 69.4 secs Computing kpt #: 172 total cpu time spent up to now is 69.8 secs Computing kpt #: 173 total cpu time spent up to now is 70.2 secs Computing kpt #: 174 total cpu time spent up to now is 70.6 secs Computing kpt #: 175 total cpu time spent up to now is 70.9 secs Computing kpt #: 176 total cpu time spent up to now is 71.3 secs Computing kpt #: 177 total cpu time spent up to now is 71.7 secs Computing kpt #: 178 total cpu time spent up to now is 72.0 secs Computing kpt #: 179 total cpu time spent up to now is 72.4 secs Computing kpt #: 180 total cpu time spent up to now is 72.7 secs Computing kpt #: 181 total cpu time spent up to now is 73.1 secs Computing kpt #: 182 total cpu time spent up to now is 73.4 secs Computing kpt #: 183 total cpu time spent up to now is 73.8 secs Computing kpt #: 184 total cpu time spent up to now is 74.1 secs Computing kpt #: 185 total cpu time spent up to now is 74.5 secs Computing kpt #: 186 total cpu time spent up to now is 74.9 secs Computing kpt #: 187 total cpu time spent up to now is 75.2 secs Computing kpt #: 188 total cpu time spent up to now is 75.6 secs Computing kpt #: 189 total cpu time spent up to now is 76.0 secs Computing kpt #: 190 total cpu time spent up to now is 76.5 secs Computing kpt #: 191 total cpu time spent up to now is 76.9 secs Computing kpt #: 192 total cpu time spent up to now is 77.2 secs Computing kpt #: 193 total cpu time spent up to now is 77.6 secs Computing kpt #: 194 total cpu time spent up to now is 78.0 secs Computing kpt #: 195 total cpu time spent up to now is 78.4 secs Computing kpt #: 196 total cpu time spent up to now is 78.7 secs Computing kpt #: 197 total cpu time spent up to now is 79.1 secs Computing kpt #: 198 total cpu time spent up to now is 79.4 secs Computing kpt #: 199 total cpu time spent up to now is 79.8 secs Computing kpt #: 200 total cpu time spent up to now is 80.2 secs Computing kpt #: 201 total cpu time spent up to now is 80.6 secs Computing kpt #: 202 total cpu time spent up to now is 80.9 secs Computing kpt #: 203 total cpu time spent up to now is 81.3 secs Computing kpt #: 204 total cpu time spent up to now is 81.7 secs Computing kpt #: 205 total cpu time spent up to now is 82.0 secs Computing kpt #: 206 total cpu time spent up to now is 82.3 secs Computing kpt #: 207 total cpu time spent up to now is 82.7 secs Computing kpt #: 208 total cpu time spent up to now is 83.1 secs Computing kpt #: 209 total cpu time spent up to now is 83.5 secs Computing kpt #: 210 total cpu time spent up to now is 83.8 secs Computing kpt #: 211 total cpu time spent up to now is 84.2 secs Computing kpt #: 212 total cpu time spent up to now is 84.6 secs Computing kpt #: 213 total cpu time spent up to now is 85.0 secs Computing kpt #: 214 total cpu time spent up to now is 85.4 secs Computing kpt #: 215 total cpu time spent up to now is 85.8 secs Computing kpt #: 216 total cpu time spent up to now is 86.2 secs Computing kpt #: 217 total cpu time spent up to now is 86.6 secs Computing kpt #: 218 total cpu time spent up to now is 87.0 secs Computing kpt #: 219 total cpu time spent up to now is 87.4 secs Computing kpt #: 220 total cpu time spent up to now is 87.8 secs Computing kpt #: 221 total cpu time spent up to now is 88.2 secs Computing kpt #: 222 total cpu time spent up to now is 88.6 secs Computing kpt #: 223 total cpu time spent up to now is 88.9 secs Computing kpt #: 224 total cpu time spent up to now is 89.3 secs Computing kpt #: 225 total cpu time spent up to now is 89.7 secs Computing kpt #: 226 total cpu time spent up to now is 90.1 secs Computing kpt #: 227 total cpu time spent up to now is 90.5 secs Computing kpt #: 228 total cpu time spent up to now is 90.8 secs Computing kpt #: 229 total cpu time spent up to now is 91.2 secs Computing kpt #: 230 total cpu time spent up to now is 91.6 secs Computing kpt #: 231 total cpu time spent up to now is 92.0 secs Computing kpt #: 232 total cpu time spent up to now is 92.4 secs Computing kpt #: 233 total cpu time spent up to now is 92.8 secs Computing kpt #: 234 total cpu time spent up to now is 93.2 secs Computing kpt #: 235 total cpu time spent up to now is 93.6 secs Computing kpt #: 236 total cpu time spent up to now is 94.0 secs Computing kpt #: 237 total cpu time spent up to now is 94.4 secs Computing kpt #: 238 total cpu time spent up to now is 94.8 secs Computing kpt #: 239 total cpu time spent up to now is 95.2 secs Computing kpt #: 240 total cpu time spent up to now is 95.6 secs Computing kpt #: 241 total cpu time spent up to now is 95.9 secs Computing kpt #: 242 total cpu time spent up to now is 96.3 secs Computing kpt #: 243 total cpu time spent up to now is 96.6 secs Computing kpt #: 244 total cpu time spent up to now is 97.0 secs Computing kpt #: 245 total cpu time spent up to now is 97.3 secs Computing kpt #: 246 total cpu time spent up to now is 97.7 secs Computing kpt #: 247 total cpu time spent up to now is 98.0 secs Computing kpt #: 248 total cpu time spent up to now is 98.3 secs Computing kpt #: 249 total cpu time spent up to now is 98.7 secs Computing kpt #: 250 total cpu time spent up to now is 99.0 secs Computing kpt #: 251 total cpu time spent up to now is 99.3 secs Computing kpt #: 252 total cpu time spent up to now is 99.7 secs Computing kpt #: 253 total cpu time spent up to now is 100.0 secs Computing kpt #: 254 total cpu time spent up to now is 100.3 secs Computing kpt #: 255 total cpu time spent up to now is 100.6 secs Computing kpt #: 256 total cpu time spent up to now is 100.9 secs Computing kpt #: 257 total cpu time spent up to now is 101.2 secs Computing kpt #: 258 total cpu time spent up to now is 101.5 secs Computing kpt #: 259 total cpu time spent up to now is 101.8 secs Computing kpt #: 260 total cpu time spent up to now is 102.2 secs Computing kpt #: 261 total cpu time spent up to now is 102.5 secs Computing kpt #: 262 total cpu time spent up to now is 102.9 secs Computing kpt #: 263 total cpu time spent up to now is 103.2 secs Computing kpt #: 264 total cpu time spent up to now is 103.5 secs Computing kpt #: 265 total cpu time spent up to now is 103.9 secs Computing kpt #: 266 total cpu time spent up to now is 104.3 secs Computing kpt #: 267 total cpu time spent up to now is 104.6 secs Computing kpt #: 268 total cpu time spent up to now is 105.0 secs Computing kpt #: 269 total cpu time spent up to now is 105.3 secs Computing kpt #: 270 total cpu time spent up to now is 105.7 secs Computing kpt #: 271 total cpu time spent up to now is 106.1 secs Computing kpt #: 272 total cpu time spent up to now is 106.5 secs Computing kpt #: 273 total cpu time spent up to now is 106.9 secs Computing kpt #: 274 total cpu time spent up to now is 107.3 secs Computing kpt #: 275 total cpu time spent up to now is 107.6 secs Computing kpt #: 276 total cpu time spent up to now is 108.0 secs Computing kpt #: 277 total cpu time spent up to now is 108.4 secs Computing kpt #: 278 total cpu time spent up to now is 108.7 secs Computing kpt #: 279 total cpu time spent up to now is 109.1 secs Computing kpt #: 280 total cpu time spent up to now is 109.5 secs Computing kpt #: 281 total cpu time spent up to now is 109.9 secs Computing kpt #: 282 total cpu time spent up to now is 110.3 secs Computing kpt #: 283 total cpu time spent up to now is 110.6 secs Computing kpt #: 284 total cpu time spent up to now is 111.1 secs Computing kpt #: 285 total cpu time spent up to now is 111.5 secs Computing kpt #: 286 total cpu time spent up to now is 111.8 secs Computing kpt #: 287 total cpu time spent up to now is 112.2 secs Computing kpt #: 288 total cpu time spent up to now is 112.6 secs Computing kpt #: 289 total cpu time spent up to now is 113.0 secs Computing kpt #: 290 total cpu time spent up to now is 113.3 secs Computing kpt #: 291 total cpu time spent up to now is 113.7 secs Computing kpt #: 292 total cpu time spent up to now is 114.0 secs Computing kpt #: 293 total cpu time spent up to now is 114.4 secs Computing kpt #: 294 total cpu time spent up to now is 114.8 secs Computing kpt #: 295 total cpu time spent up to now is 115.1 secs Computing kpt #: 296 total cpu time spent up to now is 115.5 secs Computing kpt #: 297 total cpu time spent up to now is 115.8 secs Computing kpt #: 298 total cpu time spent up to now is 116.2 secs Computing kpt #: 299 total cpu time spent up to now is 116.6 secs Computing kpt #: 300 total cpu time spent up to now is 116.9 secs Computing kpt #: 301 total cpu time spent up to now is 117.3 secs Computing kpt #: 302 total cpu time spent up to now is 117.7 secs Computing kpt #: 303 total cpu time spent up to now is 118.1 secs Computing kpt #: 304 total cpu time spent up to now is 118.5 secs Computing kpt #: 305 total cpu time spent up to now is 118.9 secs Computing kpt #: 306 total cpu time spent up to now is 119.2 secs Computing kpt #: 307 total cpu time spent up to now is 119.7 secs Computing kpt #: 308 total cpu time spent up to now is 120.1 secs Computing kpt #: 309 total cpu time spent up to now is 120.5 secs Computing kpt #: 310 total cpu time spent up to now is 120.9 secs Computing kpt #: 311 total cpu time spent up to now is 121.2 secs Computing kpt #: 312 total cpu time spent up to now is 121.6 secs Computing kpt #: 313 total cpu time spent up to now is 122.0 secs Computing kpt #: 314 total cpu time spent up to now is 122.4 secs Computing kpt #: 315 total cpu time spent up to now is 122.8 secs Computing kpt #: 316 total cpu time spent up to now is 123.1 secs Computing kpt #: 317 total cpu time spent up to now is 123.5 secs Computing kpt #: 318 total cpu time spent up to now is 123.9 secs Computing kpt #: 319 total cpu time spent up to now is 124.3 secs Computing kpt #: 320 total cpu time spent up to now is 124.7 secs Computing kpt #: 321 total cpu time spent up to now is 125.1 secs Computing kpt #: 322 total cpu time spent up to now is 125.5 secs Computing kpt #: 323 total cpu time spent up to now is 125.8 secs Computing kpt #: 324 total cpu time spent up to now is 126.3 secs Computing kpt #: 325 total cpu time spent up to now is 126.6 secs Computing kpt #: 326 total cpu time spent up to now is 127.0 secs Computing kpt #: 327 total cpu time spent up to now is 127.4 secs Computing kpt #: 328 total cpu time spent up to now is 127.8 secs Computing kpt #: 329 total cpu time spent up to now is 128.2 secs Computing kpt #: 330 total cpu time spent up to now is 128.6 secs Computing kpt #: 331 total cpu time spent up to now is 129.0 secs Computing kpt #: 332 total cpu time spent up to now is 129.4 secs Computing kpt #: 333 total cpu time spent up to now is 129.7 secs Computing kpt #: 334 total cpu time spent up to now is 130.1 secs Computing kpt #: 335 total cpu time spent up to now is 130.5 secs Computing kpt #: 336 total cpu time spent up to now is 130.9 secs Computing kpt #: 337 total cpu time spent up to now is 131.2 secs Computing kpt #: 338 total cpu time spent up to now is 131.6 secs Computing kpt #: 339 total cpu time spent up to now is 131.9 secs Computing kpt #: 340 total cpu time spent up to now is 132.3 secs Computing kpt #: 341 total cpu time spent up to now is 132.7 secs Computing kpt #: 342 total cpu time spent up to now is 133.1 secs Computing kpt #: 343 total cpu time spent up to now is 133.5 secs Computing kpt #: 344 total cpu time spent up to now is 133.9 secs Computing kpt #: 345 total cpu time spent up to now is 134.3 secs Computing kpt #: 346 total cpu time spent up to now is 134.7 secs ethr = 2.78E-08, avg # of iterations = 18.0 total cpu time spent up to now is 134.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1436 -8.1436 -8.1436 -8.1436 -7.1711 -7.1711 -7.1221 -7.1221 -7.1221 -7.1221 3.4997 3.4997 10.9062 10.9062 11.0112 11.0112 11.0112 11.0112 11.2903 11.2903 11.2903 11.2903 11.9566 11.9566 12.0842 12.0842 12.0842 12.0842 15.8713 15.8713 15.8713 15.8713 15.9321 15.9321 19.8149 19.8149 k = 0.0096-0.0056 0.0079 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1442 -8.1442 -8.1431 -8.1431 -7.1711 -7.1711 -7.1227 -7.1227 -7.1215 -7.1215 3.5014 3.5014 10.9033 10.9033 11.0050 11.0050 11.0124 11.0124 11.2883 11.2883 11.2994 11.2994 11.9560 11.9560 12.0805 12.0805 12.0862 12.0862 15.8668 15.8668 15.8712 15.8712 15.9393 15.9393 19.8163 19.8163 k = 0.0192-0.0111 0.0157 ( 2105 PWs) bands (ev): -48.0691 -48.0691 -22.4988 -22.4988 -14.9029 -14.9029 -14.9028 -14.9028 -8.1448 -8.1448 -8.1427 -8.1427 -7.1711 -7.1711 -7.1233 -7.1233 -7.1210 -7.1210 3.5065 3.5065 10.8926 10.8926 10.9917 10.9917 11.0147 11.0147 11.2889 11.2889 11.3181 11.3181 11.9540 11.9540 12.0751 12.0751 12.0868 12.0868 15.8545 15.8545 15.8700 15.8700 15.9604 15.9604 19.8205 19.8205 k = 0.0288-0.0167 0.0236 ( 2105 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9030 -14.9030 -14.9028 -14.9028 -8.1455 -8.1455 -8.1423 -8.1423 -7.1711 -7.1711 -7.1240 -7.1240 -7.1206 -7.1206 3.5149 3.5149 10.8692 10.8692 10.9801 10.9801 11.0185 11.0185 11.2905 11.2905 11.3436 11.3436 11.9506 11.9506 12.0679 12.0679 12.0862 12.0862 15.8340 15.8340 15.8685 15.8685 15.9950 15.9950 19.8269 19.8269 k = 0.0385-0.0222 0.0314 ( 2105 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9031 -14.9031 -14.9028 -14.9028 -8.1462 -8.1462 -8.1420 -8.1420 -7.1711 -7.1711 -7.1247 -7.1247 -7.1201 -7.1201 3.5267 3.5267 10.8316 10.8316 10.9756 10.9756 11.0238 11.0238 11.2930 11.2930 11.3725 11.3725 11.9458 11.9458 12.0590 12.0590 12.0847 12.0847 15.8057 15.8057 15.8667 15.8667 16.0425 16.0425 19.8347 19.8347 k = 0.0481-0.0278 0.0393 ( 2101 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9033 -14.9033 -14.9027 -14.9027 -8.1470 -8.1470 -8.1417 -8.1417 -7.1711 -7.1711 -7.1254 -7.1254 -7.1198 -7.1198 3.5419 3.5419 10.7830 10.7830 10.9771 10.9771 11.0306 11.0306 11.2963 11.2963 11.4027 11.4027 11.9394 11.9394 12.0487 12.0487 12.0823 12.0823 15.7697 15.7697 15.8646 15.8646 16.1025 16.1025 19.8426 19.8426 k = 0.0577-0.0333 0.0471 ( 2101 PWs) bands (ev): -48.0690 -48.0690 -22.4990 -22.4990 -14.9035 -14.9035 -14.9027 -14.9027 -8.1478 -8.1478 -8.1415 -8.1415 -7.1711 -7.1711 -7.1262 -7.1262 -7.1194 -7.1194 3.5603 3.5603 10.7270 10.7270 10.9828 10.9828 11.0389 11.0389 11.3002 11.3002 11.4328 11.4328 11.9313 11.9313 12.0374 12.0374 12.0793 12.0793 15.7264 15.7264 15.8622 15.8622 16.1743 16.1743 19.8483 19.8483 k = 0.0673-0.0389 0.0550 ( 2109 PWs) bands (ev): -48.0690 -48.0690 -22.4991 -22.4991 -14.9039 -14.9039 -14.9028 -14.9028 -8.1487 -8.1487 -8.1414 -8.1414 -7.1711 -7.1711 -7.1269 -7.1269 -7.1191 -7.1191 3.5821 3.5821 10.6659 10.6659 10.9913 10.9913 11.0487 11.0487 11.3048 11.3048 11.4621 11.4621 11.9214 11.9214 12.0255 12.0255 12.0756 12.0756 15.6761 15.6761 15.8595 15.8595 16.2574 16.2574 19.8487 19.8487 k = 0.0769-0.0444 0.0628 ( 2117 PWs) bands (ev): -48.0690 -48.0690 -22.4993 -22.4993 -14.9043 -14.9043 -14.9028 -14.9028 -8.1497 -8.1497 -8.1413 -8.1413 -7.1711 -7.1711 -7.1278 -7.1278 -7.1189 -7.1189 3.6072 3.6072 10.6010 10.6010 11.0021 11.0021 11.0600 11.0600 11.3101 11.3101 11.4901 11.4901 11.9096 11.9096 12.0135 12.0135 12.0715 12.0715 15.6192 15.6192 15.8564 15.8564 16.3511 16.3511 19.8382 19.8382 k = 0.0865-0.0500 0.0707 ( 2121 PWs) bands (ev): -48.0690 -48.0690 -22.4994 -22.4994 -14.9048 -14.9048 -14.9028 -14.9028 -8.1506 -8.1506 -8.1413 -8.1413 -7.1712 -7.1712 -7.1286 -7.1286 -7.1187 -7.1187 3.6355 3.6355 10.5332 10.5332 11.0148 11.0148 11.0729 11.0729 11.3161 11.3161 11.5167 11.5167 11.8961 11.8961 12.0017 12.0017 12.0669 12.0669 15.5562 15.5562 15.8529 15.8529 16.4545 16.4545 19.8088 19.8088 k = 0.0962-0.0555 0.0785 ( 2121 PWs) bands (ev): -48.0690 -48.0690 -22.4995 -22.4995 -14.9052 -14.9052 -14.9028 -14.9028 -8.1516 -8.1516 -8.1414 -8.1414 -7.1712 -7.1712 -7.1294 -7.1294 -7.1185 -7.1185 3.6671 3.6671 10.4631 10.4631 11.0292 11.0292 11.0872 11.0872 11.3227 11.3227 11.5414 11.5414 11.8811 11.8811 11.9903 11.9903 12.0621 12.0621 15.4875 15.4875 15.8491 15.8491 16.5671 16.5671 19.7521 19.7521 k = 0.1058-0.0611 0.0864 ( 2133 PWs) bands (ev): -48.0690 -48.0690 -22.4998 -22.4998 -14.9057 -14.9057 -14.9029 -14.9029 -8.1527 -8.1527 -8.1415 -8.1415 -7.1712 -7.1712 -7.1303 -7.1303 -7.1184 -7.1184 3.7018 3.7018 10.3912 10.3912 11.0451 11.0451 11.1029 11.1029 11.3298 11.3298 11.5640 11.5640 11.8649 11.8649 11.9794 11.9794 12.0571 12.0571 15.4135 15.4135 15.8449 15.8449 16.6881 16.6881 19.6667 19.6667 k = 0.1154-0.0666 0.0942 ( 2133 PWs) bands (ev): -48.0690 -48.0690 -22.4999 -22.4999 -14.9062 -14.9062 -14.9029 -14.9029 -8.1538 -8.1538 -8.1417 -8.1417 -7.1713 -7.1713 -7.1312 -7.1312 -7.1184 -7.1184 3.7397 3.7397 10.3180 10.3180 11.0625 11.0625 11.1202 11.1202 11.3376 11.3376 11.5843 11.5843 11.8483 11.8483 11.9691 11.9691 12.0521 12.0521 15.3347 15.3347 15.8403 15.8403 16.8167 16.8167 19.5588 19.5588 k = 0.1250-0.0722 0.1021 ( 2133 PWs) bands (ev): -48.0690 -48.0690 -22.5000 -22.5000 -14.9067 -14.9067 -14.9029 -14.9029 -8.1549 -8.1549 -8.1419 -8.1419 -7.1713 -7.1713 -7.1321 -7.1321 -7.1184 -7.1184 3.7807 3.7807 10.2439 10.2439 11.0812 11.0812 11.1389 11.1389 11.3458 11.3458 11.6017 11.6017 11.8319 11.8319 11.9593 11.9593 12.0472 12.0472 15.2515 15.2515 15.8354 15.8354 16.9523 16.9523 19.4360 19.4360 k = 0.1346-0.0777 0.1099 ( 2125 PWs) bands (ev): -48.0689 -48.0689 -22.5001 -22.5001 -14.9071 -14.9071 -14.9029 -14.9029 -8.1560 -8.1560 -8.1423 -8.1423 -7.1714 -7.1714 -7.1329 -7.1329 -7.1184 -7.1184 3.8247 3.8247 10.1693 10.1693 11.1012 11.1012 11.1591 11.1591 11.3546 11.3546 11.6155 11.6155 11.8170 11.8170 11.9500 11.9500 12.0425 12.0425 15.1643 15.1643 15.8302 15.8302 17.0942 17.0942 19.3035 19.3035 k = 0.1442-0.0833 0.1178 ( 2129 PWs) bands (ev): -48.0689 -48.0689 -22.5003 -22.5003 -14.9077 -14.9077 -14.9029 -14.9029 -8.1572 -8.1572 -8.1426 -8.1426 -7.1715 -7.1715 -7.1338 -7.1338 -7.1185 -7.1185 3.8717 3.8717 10.0944 10.0944 11.1222 11.1222 11.1805 11.1805 11.3637 11.3637 11.6247 11.6247 11.8045 11.8045 11.9411 11.9411 12.0381 12.0381 15.0735 15.0735 15.8246 15.8246 17.2418 17.2418 19.1645 19.1645 k = 0.1538-0.0888 0.1256 ( 2129 PWs) bands (ev): -48.0689 -48.0689 -22.5004 -22.5004 -14.9082 -14.9082 -14.9029 -14.9029 -8.1583 -8.1583 -8.1431 -8.1431 -7.1715 -7.1715 -7.1347 -7.1347 -7.1186 -7.1186 3.9217 3.9217 10.0197 10.0197 11.1442 11.1442 11.2031 11.2031 11.3733 11.3733 11.6283 11.6283 11.7959 11.7959 11.9326 11.9326 12.0343 12.0343 14.9794 14.9794 15.8186 15.8186 17.3943 17.3943 19.0212 19.0212 k = 0.1635-0.0944 0.1335 ( 2121 PWs) bands (ev): -48.0688 -48.0688 -22.5005 -22.5005 -14.9088 -14.9088 -14.9029 -14.9029 -8.1595 -8.1595 -8.1436 -8.1436 -7.1716 -7.1716 -7.1356 -7.1356 -7.1188 -7.1188 3.9745 3.9745 9.9453 9.9453 11.1671 11.1671 11.2269 11.2269 11.3831 11.3831 11.6259 11.6259 11.7920 11.7920 11.9246 11.9246 12.0312 12.0312 14.8823 14.8823 15.8124 15.8124 17.5512 17.5512 18.8753 18.8753 k = 0.1731-0.0999 0.1413 ( 2121 PWs) bands (ev): -48.0688 -48.0688 -22.5007 -22.5007 -14.9094 -14.9094 -14.9029 -14.9029 -8.1607 -8.1607 -8.1441 -8.1441 -7.1717 -7.1717 -7.1365 -7.1365 -7.1190 -7.1190 4.0300 4.0300 9.8717 9.8717 11.1906 11.1906 11.2514 11.2514 11.3932 11.3932 11.6179 11.6179 11.7926 11.7926 11.9171 11.9171 12.0290 12.0290 14.7826 14.7826 15.8058 15.8058 17.7115 17.7115 18.7279 18.7279 k = 0.1827-0.1055 0.1492 ( 2117 PWs) bands (ev): -48.0688 -48.0688 -22.5008 -22.5008 -14.9100 -14.9100 -14.9029 -14.9029 -8.1619 -8.1619 -8.1447 -8.1447 -7.1718 -7.1718 -7.1373 -7.1373 -7.1193 -7.1193 4.0883 4.0883 9.7990 9.7990 11.2147 11.2147 11.2764 11.2764 11.4034 11.4034 11.6058 11.6058 11.7966 11.7966 11.9103 11.9103 12.0278 12.0278 14.6805 14.6805 15.7989 15.7989 17.8740 17.8740 18.5805 18.5805 k = 0.1923-0.1110 0.1570 ( 2125 PWs) bands (ev): -48.0687 -48.0687 -22.5010 -22.5010 -14.9107 -14.9107 -14.9029 -14.9029 -8.1631 -8.1631 -8.1454 -8.1454 -7.1720 -7.1720 -7.1382 -7.1382 -7.1196 -7.1196 4.1491 4.1491 9.7274 9.7274 11.2391 11.2391 11.3013 11.3013 11.4137 11.4137 11.5915 11.5915 11.8027 11.8027 11.9042 11.9042 12.0277 12.0277 14.5763 14.5763 15.7918 15.7918 18.0356 18.0356 18.4361 18.4361 k = 0.2019-0.1166 0.1649 ( 2121 PWs) bands (ev): -48.0687 -48.0687 -22.5012 -22.5012 -14.9114 -14.9114 -14.9029 -14.9029 -8.1643 -8.1643 -8.1461 -8.1461 -7.1721 -7.1721 -7.1390 -7.1390 -7.1199 -7.1199 4.2124 4.2124 9.6572 9.6572 11.2638 11.2638 11.3250 11.3250 11.4241 11.4241 11.5767 11.5767 11.8100 11.8100 11.8992 11.8992 12.0289 12.0289 14.4701 14.4701 15.7844 15.7844 18.1707 18.1707 18.3199 18.3199 k = 0.2115-0.1221 0.1727 ( 2121 PWs) bands (ev): -48.0687 -48.0687 -22.5014 -22.5014 -14.9121 -14.9121 -14.9029 -14.9029 -8.1656 -8.1656 -8.1468 -8.1468 -7.1723 -7.1723 -7.1398 -7.1398 -7.1203 -7.1203 4.2781 4.2781 9.5887 9.5887 11.2884 11.2884 11.3459 11.3459 11.4349 11.4349 11.5634 11.5634 11.8181 11.8181 11.8955 11.8955 12.0315 12.0315 14.3622 14.3622 15.7767 15.7767 18.1094 18.1094 18.3997 18.3997 k = 0.2212-0.1277 0.1806 ( 2121 PWs) bands (ev): -48.0686 -48.0686 -22.5015 -22.5015 -14.9128 -14.9128 -14.9029 -14.9029 -8.1667 -8.1667 -8.1476 -8.1476 -7.1724 -7.1724 -7.1405 -7.1405 -7.1207 -7.1207 4.3461 4.3461 9.5220 9.5220 11.3127 11.3127 11.3613 11.3613 11.4468 11.4468 11.5534 11.5534 11.8266 11.8266 11.8934 11.8934 12.0354 12.0354 14.2528 14.2528 15.7688 15.7688 17.9718 17.9718 18.5455 18.5455 k = 0.2308-0.1332 0.1884 ( 2121 PWs) bands (ev): -48.0686 -48.0686 -22.5017 -22.5017 -14.9135 -14.9135 -14.9029 -14.9029 -8.1679 -8.1679 -8.1484 -8.1484 -7.1726 -7.1726 -7.1413 -7.1413 -7.1212 -7.1212 4.4162 4.4162 9.4573 9.4573 11.3365 11.3365 11.3684 11.3684 11.4609 11.4609 11.5487 11.5487 11.8352 11.8352 11.8935 11.8935 12.0407 12.0407 14.1421 14.1421 15.7607 15.7607 17.8301 17.8301 18.5750 18.5750 k = 0.2404-0.1388 0.1963 ( 2141 PWs) bands (ev): -48.0686 -48.0686 -22.5022 -22.5022 -14.9144 -14.9144 -14.9031 -14.9031 -8.1691 -8.1691 -8.1493 -8.1493 -7.1728 -7.1728 -7.1420 -7.1420 -7.1216 -7.1216 4.4883 4.4883 9.3946 9.3946 11.3592 11.3592 11.3661 11.3661 11.4764 11.4764 11.5504 11.5504 11.8438 11.8438 11.8963 11.8963 12.0472 12.0472 14.0304 14.0304 15.7524 15.7524 17.6895 17.6895 18.4178 18.4178 k = 0.2500-0.1443 0.2041 ( 2141 PWs) bands (ev): -48.0686 -48.0686 -22.5024 -22.5024 -14.9151 -14.9151 -14.9031 -14.9031 -8.1702 -8.1702 -8.1501 -8.1501 -7.1730 -7.1730 -7.1426 -7.1426 -7.1221 -7.1221 4.5622 4.5622 9.3344 9.3344 11.3562 11.3562 11.3809 11.3809 11.4916 11.4916 11.5583 11.5583 11.8522 11.8522 11.9032 11.9032 12.0552 12.0552 13.9180 13.9180 15.7439 15.7439 17.5515 17.5515 18.2581 18.2581 k = 0.2596-0.1499 0.2120 ( 2137 PWs) bands (ev): -48.0685 -48.0685 -22.5025 -22.5025 -14.9158 -14.9158 -14.9031 -14.9031 -8.1714 -8.1714 -8.1511 -8.1511 -7.1733 -7.1733 -7.1432 -7.1432 -7.1227 -7.1227 4.6377 4.6377 9.2766 9.2766 11.3409 11.3409 11.4010 11.4010 11.5051 11.5051 11.5709 11.5709 11.8599 11.8599 11.9149 11.9149 12.0645 12.0645 13.8053 13.8053 15.7353 15.7353 17.4167 17.4167 18.1012 18.1012 k = 0.2692-0.1554 0.2198 ( 2137 PWs) bands (ev): -48.0685 -48.0685 -22.5027 -22.5027 -14.9165 -14.9165 -14.9031 -14.9031 -8.1725 -8.1725 -8.1520 -8.1520 -7.1735 -7.1735 -7.1438 -7.1438 -7.1232 -7.1232 4.7147 4.7147 9.2214 9.2214 11.3222 11.3222 11.4194 11.4194 11.5164 11.5164 11.5862 11.5862 11.8666 11.8666 11.9320 11.9320 12.0752 12.0752 13.6925 13.6925 15.7266 15.7266 17.2856 17.2856 17.9477 17.9477 k = 0.2788-0.1610 0.2277 ( 2121 PWs) bands (ev): -48.0684 -48.0684 -22.5027 -22.5027 -14.9171 -14.9171 -14.9029 -14.9029 -8.1735 -8.1735 -8.1529 -8.1529 -7.1738 -7.1738 -7.1443 -7.1443 -7.1238 -7.1238 4.7929 4.7929 9.1690 9.1690 11.3016 11.3016 11.4358 11.4358 11.5260 11.5260 11.6024 11.6024 11.8723 11.8723 11.9545 11.9545 12.0876 12.0876 13.5802 13.5802 15.7178 15.7178 17.1586 17.1586 17.7979 17.7979 k = 0.2885-0.1665 0.2355 ( 2121 PWs) bands (ev): -48.0684 -48.0684 -22.5029 -22.5029 -14.9177 -14.9177 -14.9029 -14.9029 -8.1746 -8.1746 -8.1539 -8.1539 -7.1741 -7.1741 -7.1448 -7.1448 -7.1244 -7.1244 4.8721 4.8721 9.1195 9.1195 11.2798 11.2798 11.4500 11.4500 11.5338 11.5338 11.6180 11.6180 11.8766 11.8766 11.9822 11.9822 12.1020 12.1020 13.4691 13.4691 15.7089 15.7089 17.0360 17.0360 17.6520 17.6520 k = 0.2981-0.1721 0.2434 ( 2133 PWs) bands (ev): -48.0684 -48.0684 -22.5032 -22.5032 -14.9185 -14.9185 -14.9030 -14.9030 -8.1755 -8.1755 -8.1549 -8.1549 -7.1744 -7.1744 -7.1453 -7.1453 -7.1250 -7.1250 4.9520 4.9520 9.0730 9.0730 11.2573 11.2573 11.4618 11.4618 11.5400 11.5400 11.6327 11.6327 11.8788 11.8788 12.0144 12.0144 12.1186 12.1186 13.3598 13.3598 15.6999 15.6999 16.9181 16.9181 17.5101 17.5101 k = 0.3077-0.1776 0.2512 ( 2125 PWs) bands (ev): -48.0683 -48.0683 -22.5033 -22.5033 -14.9191 -14.9191 -14.9030 -14.9030 -8.1765 -8.1765 -8.1559 -8.1559 -7.1747 -7.1747 -7.1457 -7.1457 -7.1256 -7.1256 5.0325 5.0325 9.0297 9.0297 11.2346 11.2346 11.4717 11.4717 11.5448 11.5448 11.6465 11.6465 11.8779 11.8779 12.0508 12.0508 12.1380 12.1380 13.2533 13.2533 15.6909 15.6909 16.8050 16.8050 17.3725 17.3725 k = 0.3173-0.1832 0.2591 ( 2125 PWs) bands (ev): -48.0683 -48.0683 -22.5035 -22.5035 -14.9197 -14.9197 -14.9030 -14.9030 -8.1774 -8.1774 -8.1569 -8.1569 -7.1750 -7.1750 -7.1461 -7.1461 -7.1262 -7.1262 5.1131 5.1131 8.9896 8.9896 11.2120 11.2120 11.4796 11.4796 11.5481 11.5481 11.6596 11.6596 11.8725 11.8725 12.0905 12.0905 12.1604 12.1604 13.1507 13.1507 15.6819 15.6819 16.6968 16.6968 17.2394 17.2394 k = 0.3269-0.1887 0.2669 ( 2125 PWs) bands (ev): -48.0683 -48.0683 -22.5036 -22.5036 -14.9204 -14.9204 -14.9030 -14.9030 -8.1783 -8.1783 -8.1579 -8.1579 -7.1753 -7.1753 -7.1464 -7.1464 -7.1269 -7.1269 5.1935 5.1935 8.9530 8.9530 11.1897 11.1897 11.4856 11.4856 11.5500 11.5500 11.6719 11.6719 11.8614 11.8614 12.1330 12.1330 12.1860 12.1860 13.0533 13.0533 15.6729 15.6729 16.5936 16.5936 17.1110 17.1110 k = 0.3365-0.1943 0.2748 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5039 -14.9210 -14.9210 -14.9030 -14.9030 -8.1791 -8.1791 -8.1588 -8.1588 -7.1756 -7.1756 -7.1467 -7.1467 -7.1275 -7.1275 5.2734 5.2734 8.9198 8.9198 11.1677 11.1677 11.4901 11.4901 11.5506 11.5506 11.6838 11.6838 11.8431 11.8431 12.1774 12.1774 12.2148 12.2148 12.9625 12.9625 15.6640 15.6640 16.4953 16.4953 16.9876 16.9876 k = 0.3462-0.1999 0.2826 ( 2120 PWs) bands (ev): -48.0682 -48.0682 -22.5039 -22.5039 -14.9215 -14.9215 -14.9029 -14.9029 -8.1799 -8.1799 -8.1598 -8.1598 -7.1759 -7.1759 -7.1469 -7.1469 -7.1281 -7.1281 5.3524 5.3524 8.8901 8.8901 11.1464 11.1464 11.4933 11.4933 11.5502 11.5502 11.6952 11.6952 11.8168 11.8168 12.2227 12.2227 12.2471 12.2471 12.8799 12.8799 15.6550 15.6550 16.4019 16.4019 16.8696 16.8696 k = 0.3558-0.2054 0.2905 ( 2120 PWs) bands (ev): -48.0682 -48.0682 -22.5041 -22.5041 -14.9221 -14.9221 -14.9029 -14.9029 -8.1806 -8.1806 -8.1607 -8.1607 -7.1762 -7.1762 -7.1471 -7.1471 -7.1287 -7.1287 5.4301 5.4301 8.8641 8.8641 11.1257 11.1257 11.4953 11.4953 11.5488 11.5488 11.7061 11.7061 11.7817 11.7817 12.2666 12.2666 12.2841 12.2841 12.8067 12.8067 15.6462 15.6462 16.3133 16.3133 16.7573 16.7573 k = 0.3654-0.2110 0.2983 ( 2128 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5043 -14.9228 -14.9228 -14.9029 -14.9029 -8.1813 -8.1813 -8.1617 -8.1617 -7.1765 -7.1765 -7.1473 -7.1473 -7.1294 -7.1294 5.5060 5.5060 8.8418 8.8418 11.1058 11.1058 11.4964 11.4964 11.5466 11.5466 11.7151 11.7151 11.7390 11.7390 12.3064 12.3064 12.3271 12.3271 12.7439 12.7439 15.6373 15.6373 16.2293 16.2293 16.6511 16.6511 k = 0.3750-0.2165 0.3062 ( 2128 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5044 -14.9233 -14.9233 -14.9029 -14.9029 -8.1819 -8.1819 -8.1625 -8.1625 -7.1768 -7.1768 -7.1475 -7.1475 -7.1299 -7.1299 5.5797 5.5797 8.8232 8.8232 11.0868 11.0868 11.4967 11.4967 11.5433 11.5433 11.6827 11.6827 11.7290 11.7290 12.3440 12.3440 12.3734 12.3734 12.6921 12.6921 15.6285 15.6285 16.1497 16.1497 16.5514 16.5514 k = 0.3846-0.2221 0.3140 ( 2128 PWs) bands (ev): -48.0681 -48.0681 -22.5046 -22.5046 -14.9238 -14.9238 -14.9029 -14.9029 -8.1825 -8.1825 -8.1634 -8.1634 -7.1771 -7.1771 -7.1476 -7.1476 -7.1305 -7.1305 5.6506 5.6506 8.8083 8.8083 11.0687 11.0687 11.4964 11.4964 11.5380 11.5380 11.6250 11.6250 11.7382 11.7382 12.3808 12.3808 12.4195 12.4195 12.6515 12.6515 15.6197 15.6197 16.0744 16.0744 16.4587 16.4587 k = 0.3942-0.2276 0.3219 ( 2136 PWs) bands (ev): -48.0681 -48.0681 -22.5048 -22.5048 -14.9243 -14.9243 -14.9030 -14.9030 -8.1830 -8.1830 -8.1642 -8.1642 -7.1774 -7.1774 -7.1477 -7.1477 -7.1311 -7.1311 5.7184 5.7184 8.7970 8.7970 11.0515 11.0515 11.4949 11.4949 11.5229 11.5229 11.5711 11.5711 11.7472 11.7472 12.4165 12.4165 12.4634 12.4634 12.6225 12.6225 15.6109 15.6109 16.0032 16.0032 16.3734 16.3734 k = 0.4038-0.2332 0.3297 ( 2136 PWs) bands (ev): -48.0681 -48.0681 -22.5049 -22.5049 -14.9247 -14.9247 -14.9030 -14.9030 -8.1835 -8.1835 -8.1650 -8.1650 -7.1777 -7.1777 -7.1477 -7.1477 -7.1316 -7.1316 5.7824 5.7824 8.7892 8.7892 11.0353 11.0353 11.4687 11.4687 11.4976 11.4976 11.5483 11.5483 11.7558 11.7558 12.4497 12.4497 12.5018 12.5018 12.6075 12.6075 15.6020 15.6020 15.9362 15.9362 16.2958 16.2958 k = 0.4135-0.2387 0.3376 ( 2136 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5050 -14.9250 -14.9250 -14.9030 -14.9030 -8.1839 -8.1839 -8.1657 -8.1657 -7.1779 -7.1779 -7.1478 -7.1478 -7.1321 -7.1321 5.8422 5.8422 8.7845 8.7845 11.0201 11.0201 11.4019 11.4019 11.4952 11.4952 11.5416 11.5416 11.7638 11.7638 12.4768 12.4768 12.5300 12.5300 12.6122 12.6122 15.5930 15.5930 15.8733 15.8733 16.2259 16.2259 k = 0.4231-0.2443 0.3454 ( 2124 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5050 -14.9254 -14.9254 -14.9028 -14.9028 -8.1842 -8.1842 -8.1663 -8.1663 -7.1781 -7.1781 -7.1478 -7.1478 -7.1325 -7.1325 5.8972 5.8972 8.7827 8.7827 11.0058 11.0058 11.3323 11.3323 11.4939 11.4939 11.5376 11.5376 11.7714 11.7714 12.4917 12.4917 12.5521 12.5521 12.6363 12.6363 15.5839 15.5839 15.8149 15.8149 16.1622 16.1622 k = 0.4327-0.2498 0.3533 ( 2132 PWs) bands (ev): -48.0680 -48.0680 -22.5051 -22.5051 -14.9258 -14.9258 -14.9029 -14.9029 -8.1846 -8.1846 -8.1669 -8.1669 -7.1783 -7.1783 -7.1478 -7.1478 -7.1330 -7.1330 5.9470 5.9470 8.7834 8.7834 10.9922 10.9922 11.2651 11.2651 11.4927 11.4927 11.5345 11.5345 11.7779 11.7779 12.4946 12.4946 12.5768 12.5768 12.6685 12.6685 15.5745 15.5745 15.7613 15.7613 16.0949 16.0949 k = 0.4423-0.2554 0.3611 ( 2132 PWs) bands (ev): -48.0680 -48.0680 -22.5052 -22.5052 -14.9260 -14.9260 -14.9029 -14.9029 -8.1848 -8.1848 -8.1674 -8.1674 -7.1785 -7.1785 -7.1478 -7.1478 -7.1333 -7.1333 5.9911 5.9911 8.7860 8.7860 10.9792 10.9792 11.2031 11.2031 11.4916 11.4916 11.5320 11.5320 11.7838 11.7838 12.4926 12.4926 12.6027 12.6027 12.7012 12.7012 15.5650 15.5650 15.7132 15.7132 16.0321 16.0321 k = 0.4519-0.2609 0.3690 ( 2132 PWs) bands (ev): -48.0680 -48.0680 -22.5053 -22.5053 -14.9263 -14.9263 -14.9029 -14.9029 -8.1851 -8.1851 -8.1679 -8.1679 -7.1786 -7.1786 -7.1478 -7.1478 -7.1337 -7.1337 6.0292 6.0292 8.7899 8.7899 10.9664 10.9664 11.1487 11.1487 11.4906 11.4906 11.5299 11.5299 11.7888 11.7888 12.4895 12.4895 12.6270 12.6270 12.7314 12.7314 15.5555 15.5555 15.6710 15.6710 15.9785 15.9785 k = 0.4615-0.2665 0.3768 ( 2128 PWs) bands (ev): -48.0680 -48.0680 -22.5053 -22.5053 -14.9264 -14.9264 -14.9028 -14.9028 -8.1853 -8.1853 -8.1683 -8.1683 -7.1788 -7.1788 -7.1478 -7.1478 -7.1339 -7.1339 6.0608 6.0608 8.7944 8.7944 10.9534 10.9534 11.1040 11.1040 11.4897 11.4897 11.5282 11.5282 11.7929 11.7929 12.4867 12.4867 12.6482 12.6482 12.7576 12.7576 15.5465 15.5465 15.6354 15.6354 15.9348 15.9348 k = 0.4712-0.2720 0.3847 ( 2128 PWs) bands (ev): -48.0680 -48.0680 -22.5053 -22.5053 -14.9265 -14.9265 -14.9028 -14.9028 -8.1854 -8.1854 -8.1686 -8.1686 -7.1789 -7.1789 -7.1478 -7.1478 -7.1341 -7.1341 6.0858 6.0858 8.7988 8.7988 10.9405 10.9405 11.0704 11.0704 11.4890 11.4890 11.5269 11.5269 11.7961 11.7961 12.4845 12.4845 12.6655 12.6655 12.7789 12.7789 15.5384 15.5384 15.6069 15.6069 15.9011 15.9011 k = 0.4808-0.2776 0.3925 ( 2124 PWs) bands (ev): -48.0680 -48.0680 -22.5053 -22.5053 -14.9266 -14.9266 -14.9028 -14.9028 -8.1855 -8.1855 -8.1688 -8.1688 -7.1789 -7.1789 -7.1478 -7.1478 -7.1343 -7.1343 6.1037 6.1037 8.8025 8.8025 10.9288 10.9288 11.0479 11.0479 11.4885 11.4885 11.5260 11.5260 11.7985 11.7985 12.4830 12.4830 12.6782 12.6782 12.7945 12.7945 15.5321 15.5321 15.5860 15.5860 15.8773 15.8773 k = 0.4904-0.2831 0.4004 ( 2116 PWs) bands (ev): -48.0680 -48.0680 -22.5052 -22.5052 -14.9266 -14.9266 -14.9027 -14.9027 -8.1856 -8.1856 -8.1689 -8.1689 -7.1790 -7.1790 -7.1478 -7.1478 -7.1344 -7.1344 6.1146 6.1146 8.8050 8.8050 10.9203 10.9203 11.0355 11.0355 11.4883 11.4883 11.5254 11.5254 11.7999 11.7999 12.4821 12.4821 12.6860 12.6860 12.8041 12.8041 15.5281 15.5281 15.5731 15.5731 15.8633 15.8633 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.0680 -48.0680 -22.5050 -22.5050 -14.9264 -14.9264 -14.9027 -14.9027 -8.1856 -8.1856 -8.1690 -8.1690 -7.1790 -7.1790 -7.1478 -7.1478 -7.1344 -7.1344 6.1182 6.1182 8.8059 8.8059 10.9173 10.9173 11.0316 11.0316 11.4883 11.4883 11.5254 11.5254 11.8004 11.8004 12.4819 12.4819 12.6886 12.6886 12.8073 12.8073 15.5268 15.5268 15.5687 15.5687 15.8586 15.8586 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.0680 -48.0680 -22.5050 -22.5050 -14.9264 -14.9264 -14.9027 -14.9027 -8.1856 -8.1856 -8.1690 -8.1690 -7.1790 -7.1790 -7.1478 -7.1478 -7.1344 -7.1344 6.1182 6.1182 8.8059 8.8059 10.9173 10.9173 11.0316 11.0316 11.4883 11.4883 11.5254 11.5254 11.8004 11.8004 12.4819 12.4819 12.6886 12.6886 12.8073 12.8073 15.5268 15.5268 15.5687 15.5687 15.8586 15.8586 k = 0.5000-0.2776 0.4161 ( 2112 PWs) bands (ev): -48.0680 -48.0680 -22.5052 -22.5051 -14.9266 -14.9264 -14.9028 -14.9028 -8.1862 -8.1849 -8.1701 -8.1678 -7.1792 -7.1788 -7.1484 -7.1472 -7.1348 -7.1340 6.1123 6.1244 8.8067 8.8083 10.9056 10.9265 11.0287 11.0297 11.4869 11.4900 11.5170 11.5332 11.7914 11.8062 12.4679 12.4783 12.6936 12.6947 12.8112 12.8129 15.4924 15.5351 15.5556 15.6062 15.8293 15.8695 k = 0.5000-0.2665 0.4240 ( 2128 PWs) bands (ev): -48.0680 -48.0680 -22.5054 -22.5053 -14.9268 -14.9263 -14.9030 -14.9030 -8.1868 -8.1843 -8.1712 -8.1667 -7.1794 -7.1785 -7.1490 -7.1467 -7.1352 -7.1336 6.1066 6.1308 8.8107 8.8140 10.8915 10.9332 11.0214 11.0233 11.4856 11.4921 11.5083 11.5407 11.7797 11.8087 12.4416 12.4608 12.7004 12.7040 12.8296 12.8307 15.4481 15.5332 15.5540 15.6469 15.7949 15.8705 k = 0.5000-0.2554 0.4318 ( 2128 PWs) bands (ev): -48.0680 -48.0680 -22.5054 -22.5053 -14.9269 -14.9261 -14.9030 -14.9030 -8.1874 -8.1836 -8.1723 -8.1657 -7.1795 -7.1783 -7.1496 -7.1462 -7.1356 -7.1332 6.1012 6.1375 8.8180 8.8229 10.8751 10.9372 11.0100 11.0127 11.4841 11.4930 11.5012 11.5481 11.7662 11.8080 12.4109 12.4373 12.6962 12.7043 12.8655 12.8674 15.4053 15.5277 15.5542 15.6737 15.7717 15.8691 k = 0.5000-0.2443 0.4397 ( 2138 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5054 -14.9270 -14.9260 -14.9032 -14.9032 -8.1880 -8.1830 -8.1734 -8.1646 -7.1797 -7.1780 -7.1502 -7.1457 -7.1360 -7.1327 6.0961 6.1443 8.8285 8.8350 10.8562 10.9378 10.9950 10.9979 11.4821 11.4859 11.5019 11.5553 11.7515 11.8039 12.3803 12.4126 12.6799 12.6930 12.9153 12.9203 15.3661 15.5194 15.5548 15.6758 15.7696 15.8674 k = 0.5000-0.2332 0.4475 ( 2142 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5055 -14.9270 -14.9258 -14.9034 -14.9034 -8.1886 -8.1823 -8.1745 -8.1635 -7.1798 -7.1777 -7.1508 -7.1453 -7.1364 -7.1323 6.0913 6.1513 8.8422 8.8503 10.8351 10.9332 10.9785 10.9790 11.4753 11.4789 11.5064 11.5626 11.7365 11.7971 12.3522 12.3892 12.6550 12.6730 12.9752 12.9824 15.3314 15.5085 15.5553 15.6635 15.7787 15.8658 k = 0.5000-0.2221 0.4554 ( 2142 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5055 -14.9269 -14.9255 -14.9036 -14.9036 -8.1892 -8.1817 -8.1756 -8.1625 -7.1799 -7.1775 -7.1515 -7.1449 -7.1367 -7.1318 6.0869 6.1584 8.8591 8.8688 10.8118 10.9198 10.9562 10.9642 11.4635 11.4744 11.5119 11.5700 11.7222 11.7882 12.3275 12.3679 12.6240 12.6469 13.0415 13.0501 15.3011 15.4954 15.5557 15.6503 15.7875 15.8642 k = 0.5000-0.2110 0.4632 ( 2142 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5055 -14.9268 -14.9252 -14.9038 -14.9038 -8.1897 -8.1810 -8.1767 -8.1615 -7.1800 -7.1771 -7.1521 -7.1446 -7.1371 -7.1313 6.0827 6.1657 8.8792 8.8904 10.7862 10.8957 10.9297 10.9541 11.4510 11.4682 11.5183 11.5776 11.7092 11.7778 12.3063 12.3489 12.5883 12.6161 13.1123 13.1214 15.2753 15.4811 15.5559 15.6401 15.7935 15.8628 k = 0.5000-0.1999 0.4711 ( 2138 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9267 -14.9248 -14.9040 -14.9039 -8.1903 -8.1804 -8.1777 -8.1606 -7.1801 -7.1768 -7.1527 -7.1443 -7.1375 -7.1309 6.0788 6.1729 8.9023 8.9152 10.7587 10.8637 10.8997 10.9456 11.4380 11.4602 11.5252 11.5854 11.6983 11.7667 12.2886 12.3323 12.5494 12.5821 13.1862 13.1949 15.2537 15.4666 15.5559 15.6330 15.7970 15.8615 k = 0.5000-0.1887 0.4789 ( 2138 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9266 -14.9244 -14.9042 -14.9041 -8.1908 -8.1798 -8.1787 -8.1597 -7.1802 -7.1765 -7.1533 -7.1440 -7.1378 -7.1304 6.0753 6.1802 8.9286 8.9431 10.7292 10.8260 10.8663 10.9368 11.4245 11.4506 11.5325 11.5933 11.6897 11.7555 12.2739 12.3178 12.5080 12.5457 13.2622 13.2697 15.2359 15.4528 15.5555 15.6284 15.7985 15.8601 k = 0.5000-0.1776 0.4868 ( 2134 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5053 -14.9264 -14.9240 -14.9045 -14.9044 -8.1912 -8.1797 -8.1792 -8.1588 -7.1802 -7.1762 -7.1539 -7.1438 -7.1381 -7.1299 6.0720 6.1874 8.9579 8.9739 10.6979 10.7837 10.8298 10.9268 11.4110 11.4397 11.5401 11.6014 11.6836 11.7450 12.2616 12.3051 12.4653 12.5080 13.3394 13.3451 15.2215 15.4403 15.5548 15.6255 15.7986 15.8588 k = 0.5000-0.1665 0.4946 ( 2134 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5053 -14.9262 -14.9236 -14.9048 -14.9046 -8.1917 -8.1807 -8.1786 -8.1580 -7.1802 -7.1759 -7.1545 -7.1436 -7.1385 -7.1295 6.0690 6.1946 8.9901 9.0078 10.6649 10.7375 10.7907 10.9154 11.3977 11.4279 11.5479 11.6093 11.6801 11.7355 12.2511 12.2937 12.4220 12.4697 13.4173 13.4205 15.2103 15.4292 15.5537 15.6236 15.7974 15.8573 k = 0.5000-0.1554 0.5025 ( 2146 PWs) bands (ev): -48.0680 -48.0680 -22.5057 -22.5055 -14.9261 -14.9233 -14.9053 -14.9050 -8.1921 -8.1816 -8.1780 -8.1572 -7.1803 -7.1756 -7.1550 -7.1435 -7.1388 -7.1290 6.0663 6.2016 9.0253 9.0446 10.6299 10.6876 10.7496 10.9026 11.3847 11.4157 11.5556 11.6166 11.6791 11.7274 12.2417 12.2830 12.3791 12.4317 13.4950 13.4953 15.2017 15.4197 15.5520 15.6225 15.7952 15.8558 k = 0.5000-0.1443 0.5103 ( 2150 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5055 -14.9260 -14.9229 -14.9057 -14.9053 -8.1925 -8.1824 -8.1775 -8.1564 -7.1803 -7.1752 -7.1556 -7.1434 -7.1391 -7.1286 6.0638 6.2085 9.0633 9.0842 10.5926 10.6345 10.7075 10.8887 11.3725 11.4035 11.5631 11.6232 11.6809 11.7211 12.2328 12.2720 12.3384 12.3950 13.5688 13.5720 15.1955 15.4117 15.5497 15.6218 15.7923 15.8543 k = 0.5000-0.1332 0.5182 ( 2150 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5055 -14.9258 -14.9224 -14.9060 -14.9056 -8.1929 -8.1832 -8.1769 -8.1557 -7.1803 -7.1749 -7.1560 -7.1433 -7.1394 -7.1281 6.0616 6.2151 9.1041 9.1266 10.5521 10.5785 10.6658 10.8740 11.3612 11.3917 11.5703 11.6287 11.6854 11.7166 12.2235 12.2567 12.3038 12.3606 13.6407 13.6477 15.1914 15.4049 15.5468 15.6212 15.7888 15.8526 k = 0.5000-0.1221 0.5260 ( 2154 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5055 -14.9256 -14.9219 -14.9065 -14.9060 -8.1932 -8.1840 -8.1764 -8.1551 -7.1803 -7.1746 -7.1565 -7.1432 -7.1397 -7.1277 6.0597 6.2214 9.1476 9.1717 10.5074 10.5198 10.6261 10.8588 11.3508 11.3806 11.5770 11.6329 11.6927 11.7142 12.2124 12.2303 12.2823 12.3300 13.7102 13.7214 15.1889 15.3993 15.5433 15.6205 15.7847 15.8510 k = 0.5000-0.1110 0.5339 ( 2160 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9253 -14.9215 -14.9070 -14.9063 -8.1936 -8.1847 -8.1760 -8.1545 -7.1803 -7.1744 -7.1569 -7.1432 -7.1400 -7.1273 6.0580 6.2274 9.1936 9.2194 10.4581 10.4589 10.5896 10.8433 11.3416 11.3702 11.5828 11.6360 11.7022 11.7138 12.1954 12.1981 12.2714 12.3047 13.7767 13.7925 15.1879 15.3945 15.5390 15.6197 15.7804 15.8493 k = 0.5000-0.0999 0.5417 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9251 -14.9210 -14.9074 -14.9066 -8.1938 -8.1853 -8.1756 -8.1539 -7.1803 -7.1741 -7.1573 -7.1431 -7.1403 -7.1270 6.0565 6.2330 9.2421 9.2696 10.3961 10.4041 10.5569 10.8281 11.3334 11.3608 11.5878 11.6383 11.7137 11.7155 12.1587 12.1797 12.2648 12.2859 13.8397 13.8602 15.1880 15.3903 15.5341 15.6186 15.7759 15.8476 k = 0.5000-0.0888 0.5496 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9249 -14.9205 -14.9078 -14.9069 -8.1941 -8.1859 -8.1752 -8.1534 -7.1803 -7.1738 -7.1576 -7.1431 -7.1405 -7.1266 6.0552 6.2381 9.2929 9.3221 10.3317 10.3461 10.5281 10.8135 11.3262 11.3523 11.5919 11.6401 11.7191 11.7268 12.1225 12.1577 12.2601 12.2730 13.8986 13.9239 15.1890 15.3866 15.5286 15.6172 15.7715 15.8460 k = 0.5000-0.0777 0.5574 ( 2166 PWs) bands (ev): -48.0681 -48.0680 -22.5060 -22.5057 -14.9247 -14.9201 -14.9083 -14.9073 -8.1943 -8.1864 -8.1748 -8.1530 -7.1803 -7.1736 -7.1579 -7.1431 -7.1407 -7.1264 6.0540 6.2428 9.3459 9.3769 10.2662 10.2849 10.5030 10.7997 11.3200 11.3447 11.5950 11.6414 11.7244 11.7412 12.0875 12.1340 12.2564 12.2646 13.9526 13.9827 15.1906 15.3833 15.5227 15.6154 15.7673 15.8445 k = 0.5000-0.0666 0.5653 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9245 -14.9195 -14.9086 -14.9074 -8.1945 -8.1869 -8.1745 -8.1526 -7.1802 -7.1734 -7.1582 -7.1431 -7.1409 -7.1261 6.0531 6.2469 9.4009 9.4338 10.2000 10.2214 10.4813 10.7872 11.3148 11.3383 11.5973 11.6425 11.7311 11.7568 12.0542 12.1102 12.2535 12.2592 14.0012 14.0360 15.1927 15.3802 15.5166 15.6134 15.7635 15.8431 k = 0.5000-0.0555 0.5731 ( 2162 PWs) bands (ev): -48.0681 -48.0680 -22.5060 -22.5056 -14.9243 -14.9192 -14.9091 -14.9077 -8.1947 -8.1873 -8.1743 -8.1523 -7.1802 -7.1732 -7.1584 -7.1431 -7.1411 -7.1259 6.0523 6.2505 9.4574 9.4925 10.1335 10.1564 10.4629 10.7762 11.3105 11.3328 11.5989 11.6434 11.7385 11.7734 12.0226 12.0877 12.2511 12.2555 14.0437 14.0829 15.1950 15.3773 15.5106 15.6113 15.7602 15.8419 k = 0.5000-0.0444 0.5810 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9241 -14.9187 -14.9094 -14.9078 -8.1949 -8.1876 -8.1740 -8.1521 -7.1802 -7.1731 -7.1586 -7.1431 -7.1412 -7.1257 6.0517 6.2535 9.5152 9.5527 10.0674 10.0904 10.4479 10.7668 11.3071 11.3284 11.6001 11.6441 11.7461 11.7910 11.9928 12.0676 12.2493 12.2530 14.0795 14.1227 15.1973 15.3747 15.5050 15.6093 15.7574 15.8408 k = 0.5000-0.0333 0.5888 ( 2160 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9240 -14.9184 -14.9097 -14.9080 -8.1950 -8.1879 -8.1739 -8.1518 -7.1802 -7.1730 -7.1588 -7.1431 -7.1413 -7.1255 6.0512 6.2559 9.5732 9.6141 10.0027 10.0242 10.4361 10.7593 11.3045 11.3250 11.6008 11.6446 11.7532 11.8091 11.9652 12.0506 12.2480 12.2514 14.1081 14.1546 15.1994 15.3724 15.5000 15.6074 15.7552 15.8400 k = 0.5000-0.0222 0.5967 ( 2160 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5056 -14.9239 -14.9182 -14.9099 -14.9081 -8.1950 -8.1880 -8.1738 -8.1517 -7.1802 -7.1729 -7.1589 -7.1431 -7.1414 -7.1254 6.0509 6.2576 9.6298 9.6757 9.9414 9.9591 10.4277 10.7539 11.3027 11.3225 11.6012 11.6450 11.7590 11.8273 11.9402 12.0377 12.2470 12.2503 14.1288 14.1779 15.2011 15.3707 15.4962 15.6059 15.7537 15.8394 k = 0.5000-0.0111 0.6045 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9180 -14.9099 -14.9080 -8.1951 -8.1882 -8.1737 -8.1516 -7.1802 -7.1728 -7.1589 -7.1431 -7.1415 -7.1254 6.0507 6.2586 9.6790 9.7342 9.8892 9.8985 10.4227 10.7506 11.3017 11.3212 11.6015 11.6452 11.7630 11.8436 11.9200 12.0297 12.2465 12.2497 14.1415 14.1922 15.2021 15.3695 15.4938 15.6050 15.7528 15.8391 k = 0.5000 0.0000 0.6124 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1882 -8.1737 -8.1516 -7.1802 -7.1728 -7.1589 -7.1431 -7.1415 -7.1253 6.0506 6.2589 9.7022 9.7683 9.8637 9.8650 10.4210 10.7495 11.3013 11.3207 11.6016 11.6453 11.7643 11.8514 11.9109 12.0269 12.2463 12.2495 14.1457 14.1970 15.2025 15.3691 15.4930 15.6047 15.7525 15.8390 k = 0.5000 0.0000 0.6124 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1882 -8.1737 -8.1516 -7.1802 -7.1728 -7.1589 -7.1431 -7.1415 -7.1253 6.0506 6.2589 9.7022 9.7683 9.8637 9.8650 10.4210 10.7495 11.3013 11.3207 11.6016 11.6453 11.7643 11.8514 11.9109 12.0269 12.2463 12.2495 14.1457 14.1970 15.2025 15.3691 15.4930 15.6047 15.7525 15.8390 k = 0.4934 0.0114 0.6124 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9099 -14.9080 -8.1951 -8.1882 -8.1736 -8.1516 -7.1802 -7.1728 -7.1589 -7.1432 -7.1414 -7.1254 6.0501 6.2581 9.6883 9.7507 9.8717 9.8826 10.4259 10.7531 11.3007 11.3207 11.6012 11.6453 11.7642 11.8493 11.9153 12.0277 12.2463 12.2523 14.1438 14.1946 15.1991 15.3624 15.4976 15.6002 15.7540 15.8516 k = 0.4868 0.0228 0.6124 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9238 -14.9181 -14.9100 -14.9081 -8.1951 -8.1882 -8.1735 -8.1516 -7.1802 -7.1729 -7.1588 -7.1433 -7.1412 -7.1254 6.0486 6.2558 9.6571 9.7156 9.8862 9.9156 10.4409 10.7634 11.2987 11.3205 11.6004 11.6452 11.7635 11.8448 11.9265 12.0297 12.2485 12.2594 14.1379 14.1875 15.1894 15.3437 15.5089 15.5888 15.7615 15.8848 k = 0.4803 0.0342 0.6124 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9239 -14.9182 -14.9099 -14.9081 -8.1951 -8.1882 -8.1733 -8.1517 -7.1802 -7.1729 -7.1587 -7.1436 -7.1409 -7.1255 6.0464 6.2523 9.6195 9.6764 9.8989 9.9484 10.4654 10.7797 11.2955 11.3197 11.5992 11.6453 11.7622 11.8404 11.9418 12.0324 12.2546 12.2711 14.1278 14.1754 15.1744 15.3174 15.5222 15.5739 15.7799 15.9297 k = 0.4737 0.0456 0.6124 ( 2159 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9239 -14.9183 -14.9097 -14.9080 -8.1950 -8.1882 -8.1731 -8.1518 -7.1802 -7.1730 -7.1585 -7.1438 -7.1406 -7.1255 6.0436 6.2478 9.5803 9.6367 9.9075 9.9766 10.4982 10.8009 11.2911 11.3177 11.5980 11.6454 11.7602 11.8373 11.9589 12.0351 12.2661 12.2885 14.1134 14.1582 15.1550 15.2870 15.5347 15.5589 15.8094 15.9812 k = 0.4671 0.0570 0.6124 ( 2159 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9240 -14.9185 -14.9096 -14.9079 -8.1950 -8.1883 -8.1727 -8.1520 -7.1802 -7.1731 -7.1583 -7.1441 -7.1402 -7.1256 6.0403 6.2426 9.5414 9.5977 9.9118 9.9994 10.5375 10.8254 11.2858 11.3144 11.5970 11.6457 11.7575 11.8357 11.9761 12.0372 12.2845 12.3125 14.0942 14.1356 15.1326 15.2548 15.5436 15.5484 15.8477 16.0365 k = 0.4605 0.0684 0.6124 ( 2155 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5055 -14.9240 -14.9186 -14.9093 -14.9078 -8.1949 -8.1884 -8.1722 -8.1522 -7.1802 -7.1732 -7.1580 -7.1443 -7.1398 -7.1258 6.0367 6.2367 9.5037 9.5599 9.9129 10.0173 10.5810 10.8517 11.2798 11.3093 11.5966 11.6464 11.7544 11.8353 11.9919 12.0381 12.3112 12.3437 14.0699 14.1073 15.1083 15.2221 15.5355 15.5572 15.8925 16.0942 k = 0.4539 0.0798 0.6124 ( 2155 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5055 -14.9240 -14.9188 -14.9091 -14.9076 -8.1948 -8.1886 -8.1717 -8.1524 -7.1802 -7.1734 -7.1577 -7.1446 -7.1395 -7.1259 6.0329 6.2304 9.4678 9.5239 9.9115 10.0310 10.6269 10.8784 11.2734 11.3024 11.5969 11.6475 11.7509 11.8358 12.0052 12.0377 12.3469 12.3826 14.0401 14.0729 15.0835 15.1900 15.5290 15.5672 15.9418 16.1535 k = 0.4474 0.0912 0.6124 ( 2153 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5054 -14.9241 -14.9190 -14.9089 -14.9075 -8.1947 -8.1888 -8.1711 -8.1527 -7.1802 -7.1735 -7.1574 -7.1448 -7.1391 -7.1261 6.0290 6.2239 9.4341 9.4899 9.9085 10.0414 10.6734 10.9041 11.2668 11.2938 11.5981 11.6490 11.7470 11.8366 12.0156 12.0360 12.3920 12.4292 14.0046 14.0325 15.0593 15.1594 15.5254 15.5771 15.9943 16.2137 k = 0.4408 0.1026 0.6124 ( 2145 PWs) bands (ev): -48.0680 -48.0680 -22.5057 -22.5053 -14.9241 -14.9192 -14.9086 -14.9072 -8.1946 -8.1890 -8.1704 -8.1531 -7.1801 -7.1736 -7.1570 -7.1450 -7.1387 -7.1262 6.0252 6.2174 9.4027 9.4581 9.9047 10.0493 10.7192 10.9279 11.2604 11.2836 11.6003 11.6511 11.7428 11.8378 12.0231 12.0333 12.4460 12.4832 13.9630 13.9861 15.0367 15.1308 15.5244 15.5869 16.0493 16.2747 k = 0.4342 0.1140 0.6124 ( 2142 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9241 -14.9193 -14.9084 -14.9071 -8.1944 -8.1892 -8.1697 -8.1534 -7.1801 -7.1738 -7.1567 -7.1453 -7.1383 -7.1264 6.0215 6.2110 9.3740 9.4288 9.9005 10.0553 10.7634 10.9492 11.2541 11.2722 11.6035 11.6534 11.7384 11.8389 12.0279 12.0302 12.5077 12.5438 13.9152 13.9337 15.0162 15.1049 15.5253 15.5966 16.1061 16.3361 k = 0.4276 0.1253 0.6124 ( 2144 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9242 -14.9195 -14.9082 -14.9070 -8.1943 -8.1895 -8.1689 -8.1539 -7.1801 -7.1739 -7.1563 -7.1455 -7.1380 -7.1266 6.0180 6.2049 9.3480 9.4022 9.8961 10.0598 10.8052 10.9674 11.2478 11.2604 11.6077 11.6560 11.7337 11.8399 12.0258 12.0316 12.5762 12.6105 13.8612 13.8759 14.9981 15.0818 15.5275 15.6061 16.1644 16.3977 k = 0.4211 0.1367 0.6124 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5052 -14.9243 -14.9197 -14.9080 -14.9068 -8.1941 -8.1898 -8.1681 -8.1543 -7.1801 -7.1740 -7.1560 -7.1457 -7.1376 -7.1268 6.0148 6.1992 9.3249 9.3783 9.8919 10.0633 10.8444 10.9826 11.2395 11.2506 11.6126 11.6587 11.7287 11.8408 12.0218 12.0333 12.6502 12.6827 13.8009 13.8131 14.9826 15.0618 15.5306 15.6151 16.2240 16.4594 k = 0.4145 0.1481 0.6124 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5052 -14.9243 -14.9199 -14.9078 -14.9067 -8.1939 -8.1901 -8.1673 -8.1548 -7.1801 -7.1742 -7.1557 -7.1459 -7.1373 -7.1270 6.0119 6.1939 9.3047 9.3574 9.8881 10.0660 10.8803 10.9947 11.2272 11.2451 11.6182 11.6613 11.7236 11.8414 12.0179 12.0342 12.7286 12.7594 13.7345 13.7462 14.9697 15.0448 15.5342 15.6234 16.2847 16.5209 k = 0.4079 0.1595 0.6124 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9244 -14.9200 -14.9077 -14.9066 -8.1937 -8.1904 -8.1666 -8.1553 -7.1801 -7.1743 -7.1554 -7.1461 -7.1371 -7.1272 6.0094 6.1893 9.2876 9.3395 9.8847 10.0681 10.9129 11.0040 11.2131 11.2420 11.6242 11.6636 11.7184 11.8418 12.0142 12.0345 12.8105 12.8399 13.6626 13.6754 14.9591 15.0308 15.5378 15.6308 16.3464 16.5820 k = 0.4013 0.1709 0.6124 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9244 -14.9201 -14.9076 -14.9065 -8.1935 -8.1907 -8.1658 -8.1558 -7.1801 -7.1744 -7.1551 -7.1462 -7.1368 -7.1273 6.0072 6.1854 9.2735 9.3248 9.8819 10.0697 10.9417 11.0110 11.1988 11.2400 11.6303 11.6656 11.7134 11.8421 12.0109 12.0344 12.8949 12.9231 13.5863 13.6011 14.9509 15.0197 15.5412 15.6372 16.4089 16.6418 k = 0.3947 0.1823 0.6124 ( 2142 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5052 -14.9245 -14.9202 -14.9075 -14.9064 -8.1933 -8.1910 -8.1652 -8.1562 -7.1801 -7.1744 -7.1549 -7.1464 -7.1366 -7.1275 6.0056 6.1823 9.2625 9.3133 9.8796 10.0708 10.9660 11.0162 11.1852 11.2389 11.6362 11.6670 11.7088 11.8423 12.0083 12.0341 12.9809 13.0081 13.5066 13.5234 14.9447 15.0113 15.5442 15.6424 16.4719 16.6977 k = 0.3882 0.1937 0.6124 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9245 -14.9203 -14.9074 -14.9063 -8.1931 -8.1912 -8.1647 -8.1566 -7.1801 -7.1745 -7.1547 -7.1465 -7.1365 -7.1276 6.0043 6.1800 9.2546 9.3050 9.8780 10.0717 10.9849 11.0200 11.1735 11.2382 11.6414 11.6677 11.7050 11.8423 12.0063 12.0339 13.0673 13.0937 13.4247 13.4432 14.9404 15.0054 15.5464 15.6462 16.5348 16.7381 k = 0.3816 0.2051 0.6124 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9074 -14.9063 -8.1930 -8.1914 -8.1643 -8.1569 -7.1801 -7.1745 -7.1546 -7.1465 -7.1364 -7.1276 6.0036 6.1786 9.2499 9.3000 9.8770 10.0721 10.9968 11.0228 11.1652 11.2379 11.6452 11.6678 11.7025 11.8423 12.0051 12.0337 13.1519 13.1774 13.3435 13.3621 14.9379 15.0019 15.5478 15.6485 16.5956 16.7250 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.3682 0.2126 0.6012 ( 2147 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9243 -14.9199 -14.9077 -14.9065 -8.1936 -8.1914 -8.1629 -8.1569 -7.1801 -7.1744 -7.1544 -7.1468 -7.1363 -7.1273 5.9895 6.1677 9.2766 9.3396 9.8205 10.0020 10.9630 10.9858 11.1836 11.2586 11.6468 11.6726 11.6990 11.8552 11.9917 12.0429 13.2481 13.2710 13.3318 13.3340 14.8916 14.9578 15.5656 15.6757 16.7198 16.7349 k = 0.3614 0.2086 0.5901 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9240 -14.9195 -14.9080 -14.9066 -8.1942 -8.1912 -8.1617 -8.1569 -7.1800 -7.1744 -7.1540 -7.1470 -7.1362 -7.1270 5.9735 6.1541 9.2958 9.3772 9.7783 9.9390 10.9258 10.9478 11.2055 11.2797 11.6470 11.6765 11.6956 11.8672 11.9817 12.0543 13.2877 13.3112 13.3680 13.3728 14.8443 14.9119 15.5864 15.7047 16.7642 16.8023 k = 0.3545 0.2047 0.5790 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5051 -14.9238 -14.9190 -14.9083 -14.9068 -8.1947 -8.1910 -8.1604 -8.1570 -7.1799 -7.1743 -7.1536 -7.1472 -7.1362 -7.1267 5.9552 6.1371 9.3020 9.4080 9.7543 9.8872 10.8894 10.9103 11.2276 11.3006 11.6472 11.6796 11.6916 11.8762 11.9759 12.0672 13.3308 13.3539 13.4053 13.4123 14.7951 14.8632 15.6100 15.7358 16.7830 16.8786 k = 0.3477 0.2008 0.5678 ( 2139 PWs) bands (ev): -48.0681 -48.0680 -22.5054 -22.5050 -14.9234 -14.9186 -14.9085 -14.9068 -8.1951 -8.1908 -8.1592 -8.1571 -7.1799 -7.1743 -7.1532 -7.1474 -7.1362 -7.1264 5.9343 6.1164 9.2934 9.4272 9.7509 9.8515 10.8540 10.8737 11.2497 11.3211 11.6472 11.6821 11.6874 11.8805 11.9759 12.0810 13.3779 13.3995 13.4438 13.4525 14.7441 14.8120 15.6359 15.7686 16.7944 16.9411 k = 0.3409 0.1968 0.5567 ( 2125 PWs) bands (ev): -48.0681 -48.0680 -22.5051 -22.5048 -14.9230 -14.9181 -14.9086 -14.9068 -8.1953 -8.1906 -8.1579 -8.1572 -7.1798 -7.1742 -7.1526 -7.1476 -7.1362 -7.1261 5.9106 6.0918 9.2722 9.4304 9.7664 9.8371 10.8198 10.8380 11.2716 11.3407 11.6470 11.6833 11.6843 11.8793 11.9818 12.0953 13.4295 13.4483 13.4840 13.4935 14.6914 14.7585 15.6635 15.8023 16.8006 16.9834 k = 0.3341 0.1929 0.5456 ( 2121 PWs) bands (ev): -48.0681 -48.0680 -22.5050 -22.5047 -14.9228 -14.9177 -14.9087 -14.9068 -8.1955 -8.1902 -8.1573 -8.1567 -7.1797 -7.1742 -7.1520 -7.1478 -7.1362 -7.1258 5.8839 6.0630 9.2430 9.4169 9.7962 9.8450 10.7867 10.8035 11.2930 11.3593 11.6460 11.6795 11.6859 11.8736 11.9922 12.1095 13.4858 13.4988 13.5276 13.5357 14.6370 14.7027 15.6919 15.8363 16.8038 17.0089 k = 0.3273 0.1890 0.5344 ( 2131 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5048 -14.9226 -14.9175 -14.9089 -14.9069 -8.1956 -8.1899 -8.1575 -8.1554 -7.1796 -7.1742 -7.1514 -7.1479 -7.1362 -7.1254 5.8540 6.0299 9.2107 9.3908 9.8360 9.8714 10.7547 10.7701 11.3137 11.3766 11.6441 11.6762 11.6872 11.8650 12.0050 12.1232 13.5459 13.5473 13.5787 13.5803 14.5812 14.6449 15.7204 15.8696 16.8058 17.0251 k = 0.3205 0.1850 0.5233 ( 2139 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5048 -14.9224 -14.9173 -14.9090 -14.9069 -8.1955 -8.1895 -8.1577 -8.1542 -7.1795 -7.1741 -7.1507 -7.1480 -7.1362 -7.1251 5.8207 5.9924 9.1786 9.3583 9.8823 9.9104 10.7242 10.7380 11.3337 11.3926 11.6410 11.6740 11.6884 11.8547 12.0187 12.1360 13.5918 13.6044 13.6333 13.6397 14.5241 14.5853 15.7482 15.9009 16.8086 17.0373 k = 0.3136 0.1811 0.5122 ( 2139 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5047 -14.9222 -14.9171 -14.9090 -14.9069 -8.1953 -8.1890 -8.1579 -8.1530 -7.1794 -7.1741 -7.1500 -7.1480 -7.1363 -7.1248 5.7840 5.9505 9.1492 9.3241 9.9330 9.9576 10.6952 10.7074 11.3527 11.4073 11.6367 11.6727 11.6894 11.8435 12.0324 12.1477 13.6345 13.6537 13.7025 13.7085 14.4662 14.5240 15.7743 15.9290 16.8141 17.0490 k = 0.3068 0.1771 0.5010 ( 2147 PWs) bands (ev): -48.0682 -48.0681 -22.5051 -22.5047 -14.9220 -14.9170 -14.9090 -14.9068 -8.1950 -8.1886 -8.1582 -8.1518 -7.1792 -7.1741 -7.1492 -7.1481 -7.1363 -7.1244 5.7437 5.9042 9.1239 9.2913 9.9866 10.0099 10.6678 10.6783 11.3707 11.4204 11.6313 11.6723 11.6901 11.8315 12.0454 12.1581 13.6769 13.6991 13.7828 13.7835 14.4081 14.4612 15.7978 15.9524 16.8245 17.0624 k = 0.3000 0.1732 0.4899 ( 2147 PWs) bands (ev): -48.0682 -48.0681 -22.5050 -22.5047 -14.9218 -14.9169 -14.9088 -14.9067 -8.1946 -8.1880 -8.1584 -8.1506 -7.1791 -7.1740 -7.1484 -7.1481 -7.1363 -7.1240 5.6999 5.8536 9.1036 9.2618 10.0421 10.0657 10.6421 10.6507 11.3877 11.4322 11.6251 11.6724 11.6908 11.8192 12.0573 12.1668 13.7193 13.7441 13.8632 13.8710 14.3512 14.3972 15.8178 15.9698 16.8417 17.0795 k = 0.2932 0.1693 0.4788 ( 2141 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9214 -14.9167 -14.9086 -14.9066 -8.1940 -8.1875 -8.1587 -8.1495 -7.1789 -7.1739 -7.1480 -7.1476 -7.1364 -7.1236 5.6526 5.7988 9.0887 9.2367 10.0989 10.1237 10.6182 10.6248 11.4036 11.4426 11.6184 11.6730 11.6914 11.8065 12.0678 12.1738 13.7618 13.7893 13.9445 13.9660 14.2989 14.3326 15.8334 15.9801 16.8674 17.1018 k = 0.2864 0.1653 0.4676 ( 2141 PWs) bands (ev): -48.0682 -48.0682 -22.5047 -22.5044 -14.9212 -14.9166 -14.9084 -14.9064 -8.1934 -8.1868 -8.1589 -8.1483 -7.1788 -7.1738 -7.1480 -7.1467 -7.1364 -7.1232 5.6018 5.7403 9.0797 9.2168 10.1561 10.1832 10.5962 10.6004 11.4183 11.4516 11.6112 11.6738 11.6918 11.7934 12.0767 12.1789 13.8040 13.8350 14.0170 14.0656 14.2620 14.2696 15.8442 15.9831 16.9025 17.1306 k = 0.2795 0.1614 0.4565 ( 2141 PWs) bands (ev): -48.0682 -48.0682 -22.5046 -22.5043 -14.9209 -14.9166 -14.9082 -14.9062 -8.1926 -8.1862 -8.1591 -8.1472 -7.1786 -7.1738 -7.1479 -7.1459 -7.1365 -7.1228 5.5479 5.6781 9.0764 9.2025 10.2133 10.2437 10.5766 10.5778 11.4320 11.4592 11.6036 11.6748 11.6920 11.7800 12.0839 12.1820 13.8448 13.8813 14.0511 14.1461 14.2317 14.2715 15.8497 15.9788 16.9474 17.1668 k = 0.2727 0.1575 0.4454 ( 2139 PWs) bands (ev): -48.0682 -48.0682 -22.5045 -22.5042 -14.9206 -14.9164 -14.9079 -14.9060 -8.1917 -8.1855 -8.1594 -8.1462 -7.1784 -7.1737 -7.1478 -7.1450 -7.1365 -7.1224 5.4908 5.6127 9.0790 9.1938 10.2697 10.3047 10.5568 10.5597 11.4447 11.4656 11.5959 11.6758 11.6920 11.7664 12.0894 12.1832 13.8802 13.9281 14.0351 14.1129 14.3138 14.3430 15.8500 15.9681 17.0018 17.2110 k = 0.2659 0.1535 0.4342 ( 2133 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5040 -14.9202 -14.9163 -14.9076 -14.9058 -8.1907 -8.1847 -8.1596 -8.1452 -7.1782 -7.1735 -7.1477 -7.1441 -7.1365 -7.1220 5.4309 5.5444 9.0873 9.1910 10.3241 10.3660 10.5377 10.5466 11.4564 11.4707 11.5879 11.6768 11.6917 11.7528 12.0930 12.1823 13.8945 13.9745 14.0143 14.0487 14.4343 14.4470 15.8453 15.9522 17.0653 17.2633 k = 0.2591 0.1496 0.4231 ( 2129 PWs) bands (ev): -48.0683 -48.0682 -22.5041 -22.5038 -14.9199 -14.9162 -14.9073 -14.9056 -8.1896 -8.1839 -8.1598 -8.1442 -7.1780 -7.1734 -7.1475 -7.1433 -7.1365 -7.1215 5.3684 5.4735 9.1012 9.1940 10.3737 10.4270 10.5206 10.5397 11.4672 11.4744 11.5800 11.6779 11.6906 11.7394 12.0948 12.1795 13.8652 13.9733 14.0287 14.0290 14.5646 14.5655 15.8362 15.9327 17.1370 17.3236 k = 0.2523 0.1456 0.4120 ( 2135 PWs) bands (ev): -48.0683 -48.0683 -22.5040 -22.5038 -14.9196 -14.9161 -14.9070 -14.9054 -8.1885 -8.1831 -8.1599 -8.1432 -7.1778 -7.1733 -7.1473 -7.1424 -7.1365 -7.1211 5.3036 5.4006 9.1204 9.2027 10.4129 10.4850 10.5080 10.5446 11.4769 11.4772 11.5722 11.6788 11.6882 11.7267 12.0949 12.1747 13.8097 13.9045 14.0660 14.0761 14.6931 14.7022 15.8235 15.9110 17.2159 17.3917 k = 0.2455 0.1417 0.4008 ( 2131 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5036 -14.9192 -14.9159 -14.9067 -14.9051 -8.1872 -8.1822 -8.1601 -8.1423 -7.1775 -7.1731 -7.1470 -7.1415 -7.1365 -7.1206 5.2369 5.3259 9.1446 9.2169 10.4346 10.4888 10.5510 10.5682 11.4781 11.4864 11.5647 11.6798 11.6830 11.7164 12.0934 12.1682 13.7454 13.8330 14.1109 14.1261 14.8272 14.8463 15.8079 15.8889 17.3014 17.4670 k = 0.2386 0.1378 0.3897 ( 2125 PWs) bands (ev): -48.0683 -48.0683 -22.5036 -22.5034 -14.9188 -14.9157 -14.9064 -14.9049 -8.1858 -8.1813 -8.1602 -8.1415 -7.1773 -7.1730 -7.1468 -7.1406 -7.1364 -7.1202 5.1684 5.2498 9.1737 9.2364 10.4407 10.4773 10.6084 10.6104 11.4778 11.4950 11.5577 11.6738 11.6807 11.7097 12.0904 12.1599 13.6776 13.7607 14.1590 14.1770 14.9658 14.9966 15.7905 15.8686 17.3927 17.5491 k = 0.2318 0.1338 0.3786 ( 2127 PWs) bands (ev): -48.0684 -48.0683 -22.5035 -22.5033 -14.9184 -14.9156 -14.9061 -14.9047 -8.1844 -8.1803 -8.1602 -8.1407 -7.1770 -7.1729 -7.1465 -7.1397 -7.1363 -7.1197 5.0986 5.1728 9.2074 9.2611 10.4397 10.4672 10.6564 10.6694 11.4760 11.5030 11.5515 11.6609 11.6816 11.7061 12.0860 12.1501 13.6078 13.6879 14.2089 14.2289 15.1063 15.1523 15.7723 15.8527 17.4892 17.6375 k = 0.2250 0.1299 0.3674 ( 2127 PWs) bands (ev): -48.0684 -48.0684 -22.5034 -22.5031 -14.9180 -14.9154 -14.9058 -14.9044 -8.1829 -8.1793 -8.1603 -8.1399 -7.1767 -7.1727 -7.1461 -7.1388 -7.1362 -7.1192 5.0277 5.0950 9.2454 9.2907 10.4366 10.4587 10.7071 10.7273 11.4727 11.5104 11.5462 11.6459 11.6823 11.7043 12.0803 12.1388 13.5370 13.6149 14.2603 14.2817 15.2444 15.3126 15.7546 15.8460 17.5903 17.7315 k = 0.2182 0.1260 0.3563 ( 2121 PWs) bands (ev): -48.0684 -48.0684 -22.5031 -22.5029 -14.9174 -14.9151 -14.9055 -14.9042 -8.1813 -8.1782 -8.1603 -8.1392 -7.1764 -7.1726 -7.1458 -7.1379 -7.1361 -7.1188 4.9562 5.0170 9.2873 9.3250 10.4335 10.4521 10.7582 10.7839 11.4681 11.5173 11.5417 11.6297 11.6831 11.7032 12.0737 12.1263 13.4654 13.5418 14.3128 14.3353 15.3714 15.4750 15.7405 15.8576 17.6957 17.8308 k = 0.2114 0.1220 0.3452 ( 2121 PWs) bands (ev): -48.0684 -48.0684 -22.5030 -22.5027 -14.9170 -14.9148 -14.9053 -14.9040 -8.1797 -8.1771 -8.1603 -8.1385 -7.1761 -7.1724 -7.1454 -7.1371 -7.1360 -7.1183 4.8842 4.9389 9.3331 9.3636 10.4311 10.4473 10.8088 10.8387 11.4623 11.5236 11.5381 11.6129 11.6838 11.7025 12.0661 12.1127 13.3936 13.4687 14.3665 14.3898 15.4717 15.6218 15.7477 15.9029 17.8048 17.9346 k = 0.2045 0.1181 0.3340 ( 2133 PWs) bands (ev): -48.0685 -48.0684 -22.5029 -22.5027 -14.9166 -14.9146 -14.9051 -14.9039 -8.1780 -8.1760 -8.1602 -8.1379 -7.1758 -7.1723 -7.1449 -7.1362 -7.1358 -7.1178 4.8120 4.8612 9.3824 9.4064 10.4299 10.4441 10.8580 10.8915 11.4558 11.5291 11.5351 11.5960 11.6843 11.7019 12.0579 12.0982 13.3215 13.3958 14.4211 14.4450 15.5320 15.6696 15.8599 15.9954 17.9170 18.0426 k = 0.1977 0.1142 0.3229 ( 2133 PWs) bands (ev): -48.0685 -48.0685 -22.5028 -22.5026 -14.9161 -14.9143 -14.9049 -14.9037 -8.1763 -8.1748 -8.1601 -8.1374 -7.1755 -7.1722 -7.1444 -7.1356 -7.1353 -7.1174 4.7400 4.7840 9.4349 9.4530 10.4302 10.4429 10.9056 10.9418 11.4493 11.5326 11.5334 11.5798 11.6848 11.7014 12.0493 12.0830 13.2496 13.3233 14.4768 14.5011 15.5584 15.6640 16.0318 16.1290 18.0317 18.1540 k = 0.1909 0.1102 0.3118 ( 2133 PWs) bands (ev): -48.0685 -48.0685 -22.5026 -22.5024 -14.9155 -14.9140 -14.9047 -14.9036 -8.1745 -8.1736 -8.1600 -8.1369 -7.1752 -7.1720 -7.1439 -7.1354 -7.1345 -7.1170 4.6684 4.7076 9.4904 9.5032 10.4320 10.4434 10.9511 10.9890 11.4432 11.5304 11.5348 11.5662 11.6852 11.7008 12.0404 12.0675 13.1778 13.2512 14.5333 14.5580 15.5666 15.6532 16.2151 16.2880 18.1475 18.2676 k = 0.1841 0.1063 0.3006 ( 2125 PWs) bands (ev): -48.0685 -48.0685 -22.5023 -22.5022 -14.9149 -14.9135 -14.9045 -14.9033 -8.1727 -8.1724 -8.1598 -8.1364 -7.1749 -7.1719 -7.1434 -7.1351 -7.1337 -7.1166 4.5975 4.6322 9.5487 9.5567 10.4355 10.4459 10.9941 11.0324 11.4386 11.5281 11.5290 11.5596 11.6854 11.7003 12.0316 12.0518 13.1065 13.1797 14.5906 14.6156 15.5671 15.6430 16.4041 16.4615 18.2608 18.3804 k = 0.1773 0.1023 0.2895 ( 2121 PWs) bands (ev): -48.0686 -48.0686 -22.5021 -22.5019 -14.9143 -14.9130 -14.9043 -14.9032 -8.1711 -8.1710 -8.1595 -8.1360 -7.1746 -7.1718 -7.1428 -7.1348 -7.1328 -7.1162 4.5274 4.5581 9.6094 9.6133 10.4406 10.4500 11.0342 11.0710 11.4363 11.5166 11.5257 11.5598 11.6854 11.6996 12.0231 12.0363 13.0358 13.1089 14.6487 14.6738 15.5651 15.6345 16.5972 16.6440 18.3566 18.4714 k = 0.1705 0.0984 0.2784 ( 2129 PWs) bands (ev): -48.0686 -48.0686 -22.5020 -22.5019 -14.9137 -14.9126 -14.9042 -14.9031 -8.1698 -8.1692 -8.1593 -8.1357 -7.1743 -7.1717 -7.1422 -7.1345 -7.1320 -7.1159 4.4584 4.4855 9.6723 9.6725 10.4473 10.4559 11.0708 11.1038 11.4372 11.5022 11.5229 11.5622 11.6851 11.6989 12.0150 12.0211 12.9657 13.0390 14.7075 14.7327 15.5631 15.6283 16.7939 16.8324 18.3712 18.4334 k = 0.1636 0.0945 0.2672 ( 2125 PWs) bands (ev): -48.0686 -48.0686 -22.5018 -22.5017 -14.9131 -14.9121 -14.9040 -14.9030 -8.1685 -8.1674 -8.1590 -8.1354 -7.1740 -7.1716 -7.1416 -7.1341 -7.1312 -7.1156 4.3908 4.4145 9.7343 9.7372 10.4557 10.4637 11.1033 11.1298 11.4427 11.4886 11.5197 11.5651 11.6845 11.6981 12.0067 12.0076 12.8965 12.9701 14.7670 14.7921 15.5624 15.6247 16.9936 17.0246 18.2870 18.3181 k = 0.1568 0.0905 0.2561 ( 2125 PWs) bands (ev): -48.0687 -48.0687 -22.5016 -22.5015 -14.9125 -14.9116 -14.9039 -14.9029 -8.1671 -8.1656 -8.1586 -8.1352 -7.1737 -7.1715 -7.1410 -7.1337 -7.1304 -7.1153 4.3246 4.3453 9.7981 9.8037 10.4658 10.4731 11.1311 11.1481 11.4534 11.4769 11.5161 11.5679 11.6835 11.6971 11.9933 12.0011 12.8283 12.9025 14.8270 14.8520 15.5637 15.6236 17.1957 17.2182 18.1763 18.1919 k = 0.1500 0.0866 0.2449 ( 2129 PWs) bands (ev): -48.0687 -48.0687 -22.5015 -22.5014 -14.9119 -14.9112 -14.9038 -14.9028 -8.1658 -8.1638 -8.1582 -8.1351 -7.1735 -7.1715 -7.1403 -7.1333 -7.1297 -7.1151 4.2602 4.2780 9.8638 9.8715 10.4775 10.4843 11.1532 11.1587 11.4680 11.4692 11.5119 11.5704 11.6820 11.6958 11.9812 11.9956 12.7614 12.8361 14.8874 14.9123 15.5672 15.6252 17.3993 17.4086 18.0629 18.0641 k = 0.1432 0.0827 0.2338 ( 2119 PWs) bands (ev): -48.0687 -48.0687 -22.5012 -22.5011 -14.9112 -14.9106 -14.9037 -14.9027 -8.1644 -8.1621 -8.1578 -8.1350 -7.1732 -7.1714 -7.1396 -7.1328 -7.1289 -7.1149 4.1975 4.2129 9.9309 9.9403 10.4909 10.4973 11.1626 11.1689 11.4627 11.4880 11.5085 11.5730 11.6798 11.6942 11.9708 11.9916 12.6960 12.7714 14.9482 14.9728 15.5731 15.6293 17.5802 17.6026 17.9342 17.9700 k = 0.1364 0.0787 0.2227 ( 2119 PWs) bands (ev): -48.0688 -48.0687 -22.5010 -22.5009 -14.9105 -14.9101 -14.9036 -14.9027 -8.1630 -8.1604 -8.1573 -8.1349 -7.1729 -7.1713 -7.1389 -7.1323 -7.1282 -7.1147 4.1369 4.1501 9.9991 10.0098 10.5060 10.5119 11.1609 11.1777 11.4611 11.4957 11.5182 11.5761 11.6771 11.6920 11.9623 11.9887 12.6322 12.7083 15.0092 15.0335 15.5814 15.6358 17.6599 17.7612 17.8504 17.9675 k = 0.1295 0.0748 0.2115 ( 2123 PWs) bands (ev): -48.0688 -48.0688 -22.5009 -22.5008 -14.9100 -14.9096 -14.9035 -14.9026 -8.1617 -8.1588 -8.1568 -8.1349 -7.1727 -7.1713 -7.1381 -7.1318 -7.1275 -7.1146 4.0783 4.0896 10.0680 10.0795 10.5227 10.5283 11.1551 11.1798 11.4623 11.4902 11.5416 11.5806 11.6742 11.6889 11.9556 11.9871 12.5703 12.6473 15.0702 15.0942 15.5920 15.6446 17.5965 17.6579 18.0285 18.1081 k = 0.1227 0.0709 0.2004 ( 2123 PWs) bands (ev): -48.0688 -48.0688 -22.5007 -22.5006 -14.9094 -14.9091 -14.9034 -14.9026 -8.1603 -8.1572 -8.1563 -8.1350 -7.1725 -7.1712 -7.1373 -7.1313 -7.1268 -7.1146 4.0221 4.0316 10.1373 10.1490 10.5410 10.5463 11.1464 11.1761 11.4647 11.4822 11.5659 11.5877 11.6718 11.6849 11.9512 11.9869 12.5106 12.5884 15.1312 15.1547 15.6048 15.6554 17.4864 17.5276 18.2334 18.2949 k = 0.1159 0.0669 0.1893 ( 2127 PWs) bands (ev): -48.0689 -48.0688 -22.5006 -22.5005 -14.9088 -14.9086 -14.9034 -14.9026 -8.1590 -8.1558 -8.1557 -8.1351 -7.1723 -7.1712 -7.1366 -7.1307 -7.1262 -7.1146 3.9682 3.9761 10.2064 10.2180 10.5610 10.5661 11.1356 11.1679 11.4663 11.4730 11.5865 11.5980 11.6724 11.6797 11.9488 11.9880 12.4535 12.5320 15.1918 15.2148 15.6194 15.6680 17.3658 17.3963 18.4388 18.4911 k = 0.1091 0.0630 0.1781 ( 2127 PWs) bands (ev): -48.0689 -48.0689 -22.5004 -22.5004 -14.9082 -14.9081 -14.9033 -14.9026 -8.1576 -8.1552 -8.1542 -8.1353 -7.1721 -7.1712 -7.1358 -7.1301 -7.1256 -7.1146 3.9169 3.9234 10.2748 10.2859 10.5826 10.5874 11.1236 11.1565 11.4626 11.4657 11.5984 11.6119 11.6737 11.6806 11.9484 11.9903 12.3992 12.4783 15.2520 15.2743 15.6357 15.6821 17.2423 17.2657 18.6425 18.6883 k = 0.1023 0.0590 0.1670 ( 2115 PWs) bands (ev): -48.0689 -48.0689 -22.5001 -22.5001 -14.9075 -14.9074 -14.9032 -14.9025 -8.1563 -8.1545 -8.1528 -8.1355 -7.1719 -7.1712 -7.1349 -7.1295 -7.1250 -7.1147 3.8681 3.8735 10.3422 10.3523 10.6058 10.6105 11.1108 11.1429 11.4514 11.4624 11.5987 11.6265 11.6693 11.6986 11.9499 11.9935 12.3483 12.4276 15.3114 15.3330 15.6533 15.6975 17.1186 17.1365 18.8430 18.8833 k = 0.0955 0.0551 0.1559 ( 2123 PWs) bands (ev): -48.0689 -48.0689 -22.5001 -22.5000 -14.9071 -14.9070 -14.9032 -14.9025 -8.1551 -8.1539 -8.1515 -8.1358 -7.1718 -7.1711 -7.1341 -7.1289 -7.1245 -7.1149 3.8221 3.8264 10.4079 10.4166 10.6307 10.6352 11.0976 11.1280 11.4392 11.4564 11.5902 11.6316 11.6755 11.7232 11.9529 11.9975 12.3010 12.3801 15.3697 15.3906 15.6720 15.7137 16.9960 17.0096 19.0386 19.0733 k = 0.0886 0.0512 0.1447 ( 2123 PWs) bands (ev): -48.0689 -48.0689 -22.4999 -22.4999 -14.9065 -14.9065 -14.9032 -14.9025 -8.1539 -8.1532 -8.1503 -8.1361 -7.1717 -7.1711 -7.1333 -7.1283 -7.1240 -7.1151 3.7788 3.7823 10.4713 10.4783 10.6573 10.6617 11.0844 11.1125 11.4263 11.4482 11.5764 11.6223 11.6962 11.7510 11.9572 12.0020 12.2577 12.3362 15.4268 15.4468 15.6914 15.7306 16.8756 16.8855 19.2269 19.2558 k = 0.0818 0.0472 0.1336 ( 2123 PWs) bands (ev): -48.0690 -48.0690 -22.4998 -22.4998 -14.9061 -14.9061 -14.9031 -14.9025 -8.1528 -8.1524 -8.1491 -8.1365 -7.1715 -7.1711 -7.1324 -7.1276 -7.1235 -7.1153 3.7385 3.7412 10.5319 10.5367 10.6857 10.6900 11.0715 11.0969 11.4128 11.4382 11.5587 11.6059 11.7236 11.7800 11.9626 12.0068 12.2190 12.2960 15.4822 15.5013 15.7112 15.7478 16.7582 16.7651 19.4035 19.4276 k = 0.0750 0.0433 0.1225 ( 2123 PWs) bands (ev): -48.0690 -48.0690 -22.4997 -22.4997 -14.9057 -14.9056 -14.9031 -14.9025 -8.1519 -8.1514 -8.1481 -8.1369 -7.1714 -7.1711 -7.1315 -7.1270 -7.1231 -7.1157 3.7010 3.7031 10.5889 10.5915 10.7160 10.7201 11.0591 11.0817 11.3988 11.4267 11.5380 11.5850 11.7537 11.8093 11.9691 12.0119 12.1850 12.2597 15.5356 15.5537 15.7310 15.7648 16.6448 16.6491 19.5584 19.5837 k = 0.0682 0.0394 0.1113 ( 2119 PWs) bands (ev): -48.0690 -48.0690 -22.4995 -22.4995 -14.9052 -14.9052 -14.9030 -14.9025 -8.1512 -8.1503 -8.1471 -8.1374 -7.1714 -7.1711 -7.1307 -7.1264 -7.1228 -7.1160 3.6666 3.6682 10.6418 10.6420 10.7481 10.7522 11.0476 11.0671 11.3845 11.4142 11.5147 11.5606 11.7853 11.8380 11.9767 12.0170 12.1559 12.2274 15.5866 15.6035 15.7506 15.7815 16.5362 16.5385 19.6714 19.7104 k = 0.0614 0.0354 0.1002 ( 2119 PWs) bands (ev): -48.0690 -48.0690 -22.4994 -22.4994 -14.9048 -14.9047 -14.9030 -14.9025 -8.1504 -8.1493 -8.1463 -8.1378 -7.1713 -7.1711 -7.1298 -7.1258 -7.1224 -7.1164 3.6353 3.6365 10.6880 10.6899 10.7817 10.7862 11.0370 11.0534 11.3699 11.4008 11.4891 11.5332 11.8171 11.8651 11.9855 12.0221 12.1317 12.1990 15.6348 15.6505 15.7696 15.7975 16.4335 16.4342 19.7361 19.7756 k = 0.0545 0.0315 0.0891 ( 2107 PWs) bands (ev): -48.0690 -48.0690 -22.4992 -22.4992 -14.9043 -14.9042 -14.9029 -14.9025 -8.1497 -8.1483 -8.1456 -8.1384 -7.1712 -7.1711 -7.1289 -7.1253 -7.1222 -7.1169 3.6072 3.6079 10.7296 10.7331 10.8165 10.8216 11.0277 11.0409 11.3555 11.3868 11.4618 11.5033 11.8483 11.8896 11.9961 12.0273 12.1125 12.1746 15.6797 15.6941 15.7876 15.8125 16.3371 16.3376 19.7746 19.8032 k = 0.0477 0.0276 0.0779 ( 2101 PWs) bands (ev): -48.0690 -48.0690 -22.4990 -22.4990 -14.9039 -14.9038 -14.9029 -14.9025 -8.1489 -8.1474 -8.1449 -8.1389 -7.1712 -7.1711 -7.1280 -7.1247 -7.1220 -7.1174 3.5822 3.5827 10.7672 10.7717 10.8512 10.8573 11.0199 11.0299 11.3412 11.3723 11.4332 11.4716 11.8774 11.9102 12.0087 12.0327 12.0981 12.1538 15.7210 15.7338 15.8045 15.8263 16.2482 16.2495 19.8007 19.8197 k = 0.0409 0.0236 0.0668 ( 2103 PWs) bands (ev): -48.0691 -48.0691 -22.4990 -22.4990 -14.9036 -14.9035 -14.9029 -14.9026 -8.1482 -8.1466 -8.1444 -8.1395 -7.1711 -7.1711 -7.1271 -7.1242 -7.1218 -7.1180 3.5604 3.5608 10.8012 10.8060 10.8849 10.8920 11.0139 11.0206 11.3275 11.3576 11.4040 11.4389 11.9029 11.9261 12.0233 12.0387 12.0880 12.1365 15.7581 15.7693 15.8199 15.8385 16.1685 16.1702 19.8176 19.8290 k = 0.0341 0.0197 0.0557 ( 2103 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9034 -14.9033 -14.9029 -14.9026 -8.1474 -8.1459 -8.1440 -8.1402 -7.1711 -7.1711 -7.1263 -7.1238 -7.1217 -7.1186 3.5420 3.5421 10.8316 10.8360 10.9166 10.9244 11.0100 11.0134 11.3148 11.3429 11.3752 11.4060 11.9235 11.9377 12.0390 12.0461 12.0818 12.1222 15.7906 15.8001 15.8337 15.8491 16.0990 16.1007 19.8261 19.8320 k = 0.0273 0.0157 0.0445 ( 2101 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9031 -14.9031 -14.9029 -14.9026 -8.1466 -8.1452 -8.1437 -8.1408 -7.1711 -7.1711 -7.1254 -7.1233 -7.1217 -7.1192 3.5268 3.5269 10.8580 10.8613 10.9454 10.9534 11.0083 11.0086 11.3037 11.3287 11.3478 11.3741 11.9385 11.9456 12.0542 12.0550 12.0787 12.1107 15.8180 15.8257 15.8456 15.8577 16.0406 16.0421 19.8276 19.8301 k = 0.0205 0.0118 0.0334 ( 2103 PWs) bands (ev): -48.0691 -48.0691 -22.4988 -22.4988 -14.9030 -14.9029 -14.9029 -14.9027 -8.1459 -8.1447 -8.1435 -8.1415 -7.1711 -7.1711 -7.1245 -7.1230 -7.1217 -7.1199 3.5150 3.5150 10.8793 10.8813 10.9705 10.9779 11.0065 11.0087 11.2948 11.3155 11.3235 11.3447 11.9480 11.9508 12.0649 12.0674 12.0780 12.1015 15.8401 15.8459 15.8556 15.8644 15.9941 15.9951 19.8246 19.8254 k = 0.0136 0.0079 0.0223 ( 2107 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9029 -14.9029 -14.9029 -14.9027 -8.1451 -8.1442 -8.1434 -8.1422 -7.1711 -7.1711 -7.1237 -7.1226 -7.1218 -7.1206 3.5065 3.5065 10.8946 10.8953 10.9908 10.9966 11.0072 11.0104 11.2890 11.3040 11.3043 11.3194 11.9534 11.9541 12.0741 12.0772 12.0788 12.0942 15.8565 15.8604 15.8633 15.8689 15.9601 15.9606 19.8200 19.8202 k = 0.0068 0.0039 0.0111 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1444 -8.1439 -8.1435 -8.1429 -7.1711 -7.1711 -7.1229 -7.1223 -7.1219 -7.1213 3.5014 3.5014 10.9034 10.9035 11.0049 11.0082 11.0094 11.0118 11.2871 11.2928 11.2950 11.3007 11.9559 11.9560 12.0807 12.0812 12.0829 12.0885 15.8669 15.8688 15.8689 15.8714 15.9393 15.9393 19.8163 19.8163 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1436 -8.1436 -8.1436 -8.1436 -7.1711 -7.1711 -7.1221 -7.1221 -7.1221 -7.1221 3.4997 3.4997 10.9062 10.9062 11.0112 11.0112 11.0112 11.0112 11.2903 11.2903 11.2903 11.2903 11.9566 11.9566 12.0842 12.0842 12.0842 12.0842 15.8713 15.8713 15.8713 15.8713 15.9321 15.9321 19.8149 19.8149 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1436 -8.1436 -8.1436 -8.1436 -7.1711 -7.1711 -7.1221 -7.1221 -7.1221 -7.1221 3.4997 3.4997 10.9062 10.9062 11.0112 11.0112 11.0112 11.0112 11.2903 11.2903 11.2903 11.2903 11.9566 11.9566 12.0842 12.0842 12.0842 12.0842 15.8713 15.8713 15.8713 15.8713 15.9321 15.9321 19.8149 19.8149 k = 0.0111 0.0064 0.0045 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9028 -14.9028 -14.9028 -14.9028 -8.1444 -8.1437 -8.1437 -8.1429 -7.1711 -7.1711 -7.1229 -7.1221 -7.1221 -7.1213 3.5014 3.5014 10.9035 10.9035 11.0056 11.0090 11.0090 11.0104 11.2875 11.2939 11.2939 11.3004 11.9560 11.9560 12.0810 12.0818 12.0818 12.0888 15.8675 15.8687 15.8687 15.8711 15.9393 15.9393 19.8163 19.8163 k = 0.0222 0.0128 0.0091 ( 2109 PWs) bands (ev): -48.0691 -48.0691 -22.4989 -22.4989 -14.9029 -14.9029 -14.9029 -14.9027 -8.1451 -8.1438 -8.1438 -8.1421 -7.1711 -7.1711 -7.1237 -7.1222 -7.1222 -7.1205 3.5065 3.5065 10.8957 10.8957 10.9946 11.0025 11.0025 11.0031 11.2919 11.3043 11.3043 11.3169 11.9537 11.9537 12.0752 12.0752 12.0793 12.0951 15.8597 15.8614 15.8614 15.8669 15.9602 15.9602 19.8200 19.8200 k = 0.0333 0.0192 0.0136 ( 2103 PWs) bands (ev): -48.0691 -48.0691 -22.4988 -22.4988 -14.9030 -14.9030 -14.9029 -14.9027 -8.1459 -8.1441 -8.1441 -8.1414 -7.1711 -7.1711 -7.1246 -7.1223 -7.1223 -7.1198 3.5149 3.5149 10.8833 10.8833 10.9794 10.9905 10.9920 10.9920 11.3025 11.3205 11.3205 11.3383 11.9489 11.9489 12.0656 12.0656 12.0791 12.1029 15.8481 15.8499 15.8499 15.8589 15.9941 15.9941 19.8243 19.8243 k = 0.0444 0.0257 0.0181 ( 2097 PWs) bands (ev): -48.0691 -48.0691 -22.4988 -22.4988 -14.9031 -14.9031 -14.9028 -14.9026 -8.1467 -8.1445 -8.1445 -8.1407 -7.1711 -7.1711 -7.1255 -7.1225 -7.1225 -7.1191 3.5267 3.5267 10.8671 10.8671 10.9616 10.9738 10.9776 10.9776 11.3178 11.3413 11.3413 11.3632 11.9404 11.9404 12.0554 12.0554 12.0806 12.1125 15.8330 15.8344 15.8344 15.8471 16.0402 16.0402 19.8264 19.8264 k = 0.0556 0.0321 0.0227 ( 2097 PWs) bands (ev): -48.0691 -48.0691 -22.4988 -22.4988 -14.9033 -14.9033 -14.9028 -14.9025 -8.1474 -8.1450 -8.1450 -8.1400 -7.1711 -7.1711 -7.1263 -7.1228 -7.1228 -7.1184 3.5419 3.5419 10.8480 10.8480 10.9420 10.9545 10.9595 10.9595 11.3362 11.3653 11.3653 11.3902 11.9262 11.9262 12.0472 12.0472 12.0838 12.1239 15.8144 15.8151 15.8151 15.8318 16.0978 16.0978 19.8231 19.8231 k = 0.0667 0.0385 0.0272 ( 2100 PWs) bands (ev): -48.0690 -48.0690 -22.4989 -22.4989 -14.9036 -14.9036 -14.9029 -14.9025 -8.1482 -8.1456 -8.1456 -8.1393 -7.1711 -7.1711 -7.1272 -7.1231 -7.1231 -7.1178 3.5603 3.5603 10.8263 10.8263 10.9215 10.9337 10.9377 10.9377 11.3564 11.3914 11.3914 11.4185 11.9056 11.9056 12.0430 12.0430 12.0890 12.1372 15.7924 15.7924 15.7928 15.8132 16.1659 16.1659 19.8113 19.8113 k = 0.0778 0.0449 0.0318 ( 2106 PWs) bands (ev): -48.0690 -48.0690 -22.4991 -22.4991 -14.9040 -14.9040 -14.9029 -14.9025 -8.1489 -8.1463 -8.1463 -8.1386 -7.1711 -7.1711 -7.1281 -7.1234 -7.1234 -7.1172 3.5820 3.5820 10.8025 10.8025 10.9005 10.9121 10.9124 10.9124 11.3774 11.4187 11.4187 11.4473 11.8795 11.8795 12.0436 12.0436 12.0964 12.1527 15.7665 15.7665 15.7686 15.7917 16.2434 16.2434 19.7898 19.7898 k = 0.0889 0.0513 0.0363 ( 2106 PWs) bands (ev): -48.0690 -48.0690 -22.4992 -22.4992 -14.9043 -14.9043 -14.9029 -14.9024 -8.1496 -8.1471 -8.1471 -8.1380 -7.1712 -7.1712 -7.1290 -7.1238 -7.1238 -7.1167 3.6070 3.6070 10.7764 10.7764 10.8795 10.8839 10.8839 10.8902 11.3986 11.4463 11.4463 11.4758 11.8495 11.8495 12.0487 12.0487 12.1062 12.1706 15.7379 15.7379 15.7419 15.7676 16.3290 16.3290 19.7573 19.7573 k = 0.1000 0.0577 0.0408 ( 2118 PWs) bands (ev): -48.0690 -48.0690 -22.4994 -22.4994 -14.9048 -14.9048 -14.9029 -14.9024 -8.1503 -8.1481 -8.1481 -8.1374 -7.1712 -7.1712 -7.1298 -7.1242 -7.1242 -7.1162 3.6352 3.6352 10.7473 10.7473 10.8531 10.8531 10.8587 10.8685 11.4193 11.4734 11.4734 11.5034 11.8175 11.8175 12.0578 12.0578 12.1188 12.1909 15.7069 15.7069 15.7133 15.7413 16.4214 16.4214 19.7089 19.7089 k = 0.1111 0.0642 0.0454 ( 2118 PWs) bands (ev): -48.0690 -48.0690 -22.4995 -22.4995 -14.9052 -14.9052 -14.9030 -14.9024 -8.1509 -8.1490 -8.1490 -8.1369 -7.1712 -7.1712 -7.1307 -7.1247 -7.1247 -7.1158 3.6665 3.6665 10.7139 10.7139 10.8214 10.8214 10.8384 10.8473 11.4391 11.4992 11.4992 11.5295 11.7851 11.7851 12.0709 12.0709 12.1345 12.2138 15.6740 15.6740 15.6832 15.7133 16.5193 16.5193 19.6311 19.6311 k = 0.1222 0.0706 0.0499 ( 2124 PWs) bands (ev): -48.0690 -48.0690 -22.4997 -22.4997 -14.9057 -14.9057 -14.9030 -14.9024 -8.1515 -8.1501 -8.1501 -8.1364 -7.1713 -7.1713 -7.1315 -7.1252 -7.1252 -7.1154 3.7009 3.7009 10.6748 10.6748 10.7906 10.7906 10.8185 10.8266 11.4577 11.5229 11.5229 11.5537 11.7537 11.7537 12.0879 12.0879 12.1536 12.2394 15.6396 15.6396 15.6520 15.6839 16.6212 16.6212 19.5115 19.5115 k = 0.1333 0.0770 0.0544 ( 2124 PWs) bands (ev): -48.0690 -48.0690 -22.4998 -22.4998 -14.9062 -14.9062 -14.9030 -14.9023 -8.1521 -8.1513 -8.1513 -8.1359 -7.1713 -7.1713 -7.1323 -7.1257 -7.1257 -7.1150 3.7384 3.7384 10.6286 10.6286 10.7621 10.7621 10.7994 10.8066 11.4747 11.5438 11.5438 11.5756 11.7242 11.7242 12.1090 12.1090 12.1764 12.2678 15.6041 15.6041 15.6201 15.6535 16.7256 16.7256 19.3583 19.3583 k = 0.1444 0.0834 0.0590 ( 2118 PWs) bands (ev): -48.0689 -48.0689 -22.4999 -22.4999 -14.9066 -14.9066 -14.9030 -14.9023 -8.1527 -8.1525 -8.1525 -8.1355 -7.1714 -7.1714 -7.1330 -7.1263 -7.1263 -7.1148 3.7788 3.7788 10.5753 10.5753 10.7363 10.7363 10.7809 10.7874 11.4901 11.5608 11.5608 11.5947 11.6980 11.6980 12.1343 12.1343 12.2028 12.2989 15.5679 15.5679 15.5879 15.6226 16.8309 16.8309 19.1857 19.1857 k = 0.1556 0.0898 0.0635 ( 2112 PWs) bands (ev): -48.0689 -48.0689 -22.4999 -22.4999 -14.9071 -14.9071 -14.9030 -14.9022 -8.1539 -8.1539 -8.1532 -8.1351 -7.1715 -7.1715 -7.1338 -7.1269 -7.1269 -7.1146 3.8220 3.8220 10.5154 10.5154 10.7132 10.7132 10.7633 10.7691 11.5038 11.5727 11.5727 11.6110 11.6762 11.6762 12.1637 12.1637 12.2331 12.3328 15.5315 15.5315 15.5558 15.5916 16.9354 16.9354 19.0021 19.0021 k = 0.1667 0.0962 0.0680 ( 2112 PWs) bands (ev): -48.0689 -48.0689 -22.5001 -22.5001 -14.9077 -14.9077 -14.9029 -14.9022 -8.1552 -8.1552 -8.1537 -8.1348 -7.1716 -7.1716 -7.1345 -7.1275 -7.1275 -7.1144 3.8681 3.8681 10.4500 10.4500 10.6922 10.6922 10.7465 10.7517 11.5155 11.5774 11.5774 11.6244 11.6608 11.6608 12.1972 12.1972 12.2670 12.3692 15.4951 15.4951 15.5241 15.5608 17.0374 17.0374 18.8122 18.8122 k = 0.1778 0.1026 0.0726 ( 2121 PWs) bands (ev): -48.0689 -48.0689 -22.5003 -22.5003 -14.9083 -14.9083 -14.9030 -14.9022 -8.1567 -8.1567 -8.1541 -8.1345 -7.1717 -7.1717 -7.1352 -7.1281 -7.1281 -7.1143 3.9168 3.9168 10.3798 10.3798 10.6730 10.6730 10.7305 10.7352 11.5254 11.5740 11.5740 11.6349 11.6530 11.6530 12.2346 12.2346 12.3043 12.4079 15.4592 15.4592 15.4933 15.5306 17.1350 17.1350 18.6188 18.6188 k = 0.1889 0.1091 0.0771 ( 2127 PWs) bands (ev): -48.0689 -48.0689 -22.5005 -22.5005 -14.9090 -14.9090 -14.9030 -14.9022 -8.1582 -8.1582 -8.1545 -8.1343 -7.1718 -7.1718 -7.1358 -7.1287 -7.1287 -7.1143 3.9682 3.9682 10.3057 10.3057 10.6553 10.6553 10.7154 10.7196 11.5336 11.5642 11.5642 11.6428 11.6511 11.6511 12.2756 12.2756 12.3447 12.4489 15.4241 15.4241 15.4638 15.5015 17.2264 17.2264 18.4239 18.4239 k = 0.2000 0.1155 0.0816 ( 2127 PWs) bands (ev): -48.0688 -48.0688 -22.5007 -22.5007 -14.9096 -14.9096 -14.9030 -14.9022 -8.1597 -8.1597 -8.1548 -8.1341 -7.1720 -7.1720 -7.1364 -7.1293 -7.1293 -7.1143 4.0220 4.0220 10.2284 10.2284 10.6389 10.6389 10.7012 10.7050 11.5401 11.5518 11.5518 11.6482 11.6517 11.6517 12.3197 12.3197 12.3878 12.4919 15.3902 15.3902 15.4358 15.4739 17.3098 17.3098 18.2294 18.2294 k = 0.2111 0.1219 0.0862 ( 2127 PWs) bands (ev): -48.0688 -48.0688 -22.5008 -22.5008 -14.9103 -14.9103 -14.9030 -14.9021 -8.1612 -8.1612 -8.1551 -8.1339 -7.1721 -7.1721 -7.1369 -7.1299 -7.1299 -7.1144 4.0781 4.0781 10.1486 10.1486 10.6237 10.6237 10.6878 10.6913 11.5389 11.5389 11.5451 11.6514 11.6525 11.6525 12.3666 12.3666 12.4333 12.5365 15.3578 15.3578 15.4098 15.4480 17.3831 17.3831 18.0370 18.0370 k = 0.2222 0.1283 0.0907 ( 2115 PWs) bands (ev): -48.0688 -48.0688 -22.5009 -22.5009 -14.9108 -14.9108 -14.9029 -14.9020 -8.1628 -8.1628 -8.1554 -8.1339 -7.1723 -7.1723 -7.1374 -7.1306 -7.1306 -7.1146 4.1364 4.1364 10.0668 10.0668 10.6097 10.6097 10.6754 10.6785 11.5267 11.5267 11.5486 11.6527 11.6528 11.6528 12.4159 12.4159 12.4807 12.5825 15.3271 15.3271 15.3861 15.4242 17.4430 17.4430 17.8501 17.8501 k = 0.2333 0.1347 0.0953 ( 2121 PWs) bands (ev): -48.0687 -48.0687 -22.5011 -22.5011 -14.9115 -14.9115 -14.9029 -14.9020 -8.1644 -8.1644 -8.1556 -8.1338 -7.1725 -7.1725 -7.1379 -7.1312 -7.1312 -7.1148 4.1968 4.1968 9.9834 9.9834 10.5967 10.5967 10.6637 10.6666 11.5155 11.5155 11.5508 11.6520 11.6520 11.6522 12.4670 12.4670 12.5294 12.6294 15.2986 15.2986 15.3649 15.4029 17.4761 17.4761 17.6822 17.6822 k = 0.2444 0.1411 0.0998 ( 2121 PWs) bands (ev): -48.0687 -48.0687 -22.5013 -22.5013 -14.9121 -14.9121 -14.9029 -14.9020 -8.1660 -8.1660 -8.1557 -8.1339 -7.1727 -7.1727 -7.1383 -7.1318 -7.1318 -7.1151 4.2591 4.2591 9.8989 9.8989 10.5847 10.5847 10.6530 10.6557 11.5055 11.5055 11.5518 11.6503 11.6503 11.6503 12.5196 12.5196 12.5792 12.6771 15.2724 15.2724 15.3467 15.3845 17.4093 17.4093 17.6074 17.6074 k = 0.2556 0.1475 0.1043 ( 2121 PWs) bands (ev): -48.0687 -48.0687 -22.5014 -22.5014 -14.9128 -14.9128 -14.9028 -14.9019 -8.1677 -8.1677 -8.1558 -8.1340 -7.1729 -7.1729 -7.1386 -7.1324 -7.1324 -7.1154 4.3231 4.3231 9.8137 9.8137 10.5736 10.5736 10.6430 10.6456 11.4968 11.4968 11.5518 11.6471 11.6478 11.6478 12.5732 12.5732 12.6297 12.7251 15.2489 15.2489 15.3318 15.3692 17.2491 17.2491 17.6199 17.6199 k = 0.2667 0.1540 0.1089 ( 2121 PWs) bands (ev): -48.0686 -48.0686 -22.5016 -22.5016 -14.9135 -14.9135 -14.9027 -14.9019 -8.1693 -8.1693 -8.1559 -8.1341 -7.1732 -7.1732 -7.1389 -7.1329 -7.1329 -7.1158 4.3886 4.3886 9.7283 9.7283 10.5635 10.5635 10.6339 10.6364 11.4892 11.4892 11.5508 11.6427 11.6444 11.6444 12.6275 12.6275 12.6803 12.7731 15.2284 15.2284 15.3204 15.3574 17.0757 17.0757 17.6410 17.6410 k = 0.2778 0.1604 0.1134 ( 2127 PWs) bands (ev): -48.0686 -48.0686 -22.5018 -22.5018 -14.9142 -14.9142 -14.9027 -14.9019 -8.1709 -8.1709 -8.1558 -8.1343 -7.1734 -7.1734 -7.1391 -7.1335 -7.1335 -7.1162 4.4554 4.4554 9.6428 9.6428 10.5542 10.5542 10.6256 10.6279 11.4829 11.4829 11.5491 11.6373 11.6403 11.6403 12.6820 12.6820 12.7307 12.8207 15.2110 15.2110 15.3129 15.3494 16.9032 16.9032 17.6582 17.6582 k = 0.2889 0.1668 0.1179 ( 2127 PWs) bands (ev): -48.0686 -48.0686 -22.5020 -22.5020 -14.9149 -14.9149 -14.9027 -14.9018 -8.1725 -8.1725 -8.1558 -8.1345 -7.1737 -7.1737 -7.1392 -7.1340 -7.1340 -7.1167 4.5232 4.5232 9.5576 9.5576 10.5458 10.5458 10.6180 10.6203 11.4777 11.4777 11.5466 11.6312 11.6357 11.6357 12.7364 12.7364 12.7806 12.8676 15.1971 15.1971 15.3095 15.3455 16.7346 16.7346 17.6699 17.6699 k = 0.3000 0.1732 0.1225 ( 2139 PWs) bands (ev): -48.0686 -48.0686 -22.5023 -22.5023 -14.9156 -14.9156 -14.9028 -14.9020 -8.1740 -8.1740 -8.1556 -8.1348 -7.1740 -7.1740 -7.1393 -7.1345 -7.1345 -7.1172 4.5918 4.5918 9.4730 9.4730 10.5381 10.5381 10.6111 10.6134 11.4735 11.4735 11.5436 11.6243 11.6307 11.6307 12.7903 12.7903 12.8296 12.9133 15.1868 15.1868 15.3104 15.3459 16.5709 16.5709 17.6766 17.6766 k = 0.3111 0.1796 0.1270 ( 2139 PWs) bands (ev): -48.0685 -48.0685 -22.5024 -22.5024 -14.9162 -14.9162 -14.9027 -14.9019 -8.1756 -8.1756 -8.1555 -8.1352 -7.1742 -7.1742 -7.1393 -7.1350 -7.1350 -7.1178 4.6610 4.6610 9.3893 9.3893 10.5311 10.5311 10.6050 10.6072 11.4703 11.4703 11.5401 11.6170 11.6255 11.6255 12.8434 12.8434 12.8773 12.9576 15.1803 15.1803 15.3159 15.3509 16.4130 16.4130 17.6789 17.6789 k = 0.3222 0.1860 0.1315 ( 2138 PWs) bands (ev): -48.0685 -48.0685 -22.5026 -22.5026 -14.9168 -14.9168 -14.9027 -14.9019 -8.1771 -8.1771 -8.1552 -8.1356 -7.1745 -7.1745 -7.1393 -7.1354 -7.1354 -7.1184 4.7303 4.7303 9.3069 9.3069 10.5249 10.5249 10.5996 10.6017 11.4680 11.4680 11.5364 11.6092 11.6203 11.6203 12.8951 12.8951 12.9234 13.0001 15.1778 15.1778 15.3262 15.3607 16.2616 16.2616 17.6774 17.6774 k = 0.3333 0.1925 0.1361 ( 2138 PWs) bands (ev): -48.0685 -48.0685 -22.5027 -22.5027 -14.9173 -14.9173 -14.9026 -14.9019 -8.1785 -8.1785 -8.1550 -8.1360 -7.1748 -7.1748 -7.1392 -7.1359 -7.1359 -7.1191 4.7994 4.7994 9.2259 9.2259 10.5194 10.5194 10.5947 10.5969 11.4664 11.4664 11.5323 11.6011 11.6151 11.6151 12.9452 12.9452 12.9675 13.0405 15.1793 15.1793 15.3413 15.3754 16.1173 16.1173 17.6725 17.6725 k = 0.3444 0.1989 0.1406 ( 2138 PWs) bands (ev): -48.0685 -48.0685 -22.5029 -22.5029 -14.9179 -14.9179 -14.9026 -14.9019 -8.1799 -8.1799 -8.1546 -8.1365 -7.1751 -7.1751 -7.1391 -7.1363 -7.1363 -7.1198 4.8681 4.8681 9.1468 9.1468 10.5145 10.5145 10.5905 10.5926 11.4654 11.4654 11.5282 11.5928 11.6101 11.6101 12.9933 12.9933 13.0095 13.0785 15.1846 15.1846 15.3614 15.3950 15.9808 15.9808 17.6644 17.6644 k = 0.3556 0.2053 0.1452 ( 2132 PWs) bands (ev): -48.0684 -48.0684 -22.5029 -22.5029 -14.9184 -14.9184 -14.9025 -14.9018 -8.1812 -8.1812 -8.1543 -8.1370 -7.1754 -7.1754 -7.1388 -7.1366 -7.1366 -7.1205 4.9358 4.9358 9.0699 9.0699 10.5102 10.5102 10.5868 10.5889 11.4649 11.4649 11.5241 11.5844 11.6054 11.6054 13.0391 13.0391 13.0491 13.1140 15.1933 15.1933 15.3864 15.4196 15.8529 15.8529 17.6522 17.6522 k = 0.3667 0.2117 0.1497 ( 2132 PWs) bands (ev): -48.0684 -48.0684 -22.5031 -22.5031 -14.9189 -14.9189 -14.9025 -14.9018 -8.1824 -8.1824 -8.1538 -8.1376 -7.1757 -7.1757 -7.1386 -7.1369 -7.1369 -7.1213 5.0021 5.0021 8.9956 8.9956 10.5064 10.5064 10.5837 10.5857 11.4649 11.4649 11.5199 11.5760 11.6011 11.6011 13.0822 13.0822 13.0861 13.1467 15.2045 15.2045 15.4161 15.4488 15.7351 15.7351 17.6326 17.6326 k = 0.3778 0.2181 0.1542 ( 2126 PWs) bands (ev): -48.0684 -48.0684 -22.5031 -22.5031 -14.9193 -14.9193 -14.9023 -14.9017 -8.1836 -8.1836 -8.1534 -8.1382 -7.1760 -7.1760 -7.1382 -7.1372 -7.1372 -7.1221 5.0664 5.0664 8.9242 8.9242 10.5032 10.5032 10.5810 10.5829 11.4650 11.4650 11.5160 11.5677 11.5974 11.5974 13.1204 13.1224 13.1224 13.1764 15.2160 15.2160 15.4503 15.4826 15.6297 15.6297 17.5951 17.5951 k = 0.3889 0.2245 0.1588 ( 2126 PWs) bands (ev): -48.0684 -48.0684 -22.5032 -22.5032 -14.9197 -14.9197 -14.9023 -14.9017 -8.1847 -8.1847 -8.1529 -8.1388 -7.1762 -7.1762 -7.1378 -7.1375 -7.1375 -7.1229 5.1284 5.1284 8.8563 8.8563 10.5004 10.5004 10.5787 10.5805 11.4653 11.4653 11.5123 11.5595 11.5942 11.5942 13.1517 13.1594 13.1594 13.2032 15.2234 15.2234 15.4886 15.5203 15.5414 15.5414 17.5247 17.5247 k = 0.4000 0.2309 0.1633 ( 2123 PWs) bands (ev): -48.0683 -48.0683 -22.5033 -22.5033 -14.9201 -14.9201 -14.9022 -14.9017 -8.1857 -8.1857 -8.1523 -8.1395 -7.1765 -7.1765 -7.1378 -7.1378 -7.1374 -7.1237 5.1873 5.1873 8.7923 8.7923 10.4980 10.4980 10.5768 10.5786 11.4656 11.4656 11.5089 11.5516 11.5917 11.5917 13.1802 13.1930 13.1930 13.2269 15.2178 15.2178 15.4789 15.4789 15.5306 15.5615 17.4305 17.4305 k = 0.4111 0.2374 0.1678 ( 2123 PWs) bands (ev): -48.0683 -48.0683 -22.5034 -22.5034 -14.9204 -14.9204 -14.9022 -14.9017 -8.1866 -8.1866 -8.1518 -8.1401 -7.1767 -7.1767 -7.1380 -7.1380 -7.1369 -7.1246 5.2426 5.2426 8.7328 8.7328 10.4960 10.4960 10.5753 10.5769 11.4657 11.4657 11.5059 11.5440 11.5899 11.5899 13.2058 13.2232 13.2232 13.2475 15.1898 15.1898 15.4516 15.4516 15.5753 15.6052 17.3304 17.3304 k = 0.4222 0.2438 0.1724 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5035 -22.5035 -14.9208 -14.9208 -14.9022 -14.9018 -8.1874 -8.1874 -8.1511 -8.1409 -7.1769 -7.1769 -7.1382 -7.1382 -7.1364 -7.1255 5.2935 5.2935 8.6783 8.6783 10.4942 10.4942 10.5740 10.5755 11.4658 11.4658 11.5033 11.5368 11.5887 11.5887 13.2284 13.2498 13.2498 13.2651 15.1431 15.1431 15.4551 15.4551 15.6219 15.6505 17.2322 17.2322 k = 0.4333 0.2502 0.1769 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5036 -22.5036 -14.9211 -14.9211 -14.9022 -14.9018 -8.1881 -8.1881 -8.1505 -8.1416 -7.1771 -7.1771 -7.1383 -7.1383 -7.1358 -7.1263 5.3396 5.3396 8.6294 8.6294 10.4929 10.4929 10.5730 10.5743 11.4657 11.4657 11.5013 11.5301 11.5881 11.5881 13.2482 13.2728 13.2728 13.2798 15.0902 15.0902 15.4760 15.4760 15.6691 15.6959 17.1394 17.1394 k = 0.4444 0.2566 0.1814 ( 2117 PWs) bands (ev): -48.0683 -48.0683 -22.5035 -22.5035 -14.9212 -14.9212 -14.9021 -14.9018 -8.1887 -8.1887 -8.1498 -8.1423 -7.1773 -7.1773 -7.1385 -7.1385 -7.1352 -7.1272 5.3799 5.3799 8.5867 8.5867 10.4918 10.4918 10.5723 10.5735 11.4655 11.4655 11.4999 11.5240 11.5879 11.5879 13.2653 13.2917 13.2923 13.2923 15.0399 15.0399 15.5046 15.5046 15.7153 15.7397 17.0545 17.0545 k = 0.4556 0.2630 0.1860 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9216 -14.9216 -14.9020 -14.9018 -8.1892 -8.1892 -8.1491 -8.1431 -7.1774 -7.1774 -7.1386 -7.1386 -7.1345 -7.1281 5.4140 5.4140 8.5508 8.5508 10.4909 10.4909 10.5718 10.5727 11.4651 11.4651 11.4991 11.5184 11.5880 11.5880 13.2795 13.3007 13.3080 13.3080 14.9961 14.9961 15.5353 15.5353 15.7587 15.7799 16.9798 16.9798 k = 0.4667 0.2694 0.1905 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9217 -14.9217 -14.9020 -14.9018 -8.1896 -8.1896 -8.1484 -8.1438 -7.1775 -7.1775 -7.1387 -7.1387 -7.1338 -7.1289 5.4413 5.4413 8.5222 8.5222 10.4903 10.4903 10.5714 10.5721 11.4648 11.4648 11.4989 11.5135 11.5882 11.5882 13.2911 13.3071 13.3203 13.3203 14.9608 14.9608 15.5639 15.5639 15.7971 15.8142 16.9176 16.9176 k = 0.4778 0.2758 0.1951 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9219 -14.9219 -14.9020 -14.9019 -8.1899 -8.1899 -8.1477 -8.1446 -7.1776 -7.1776 -7.1387 -7.1387 -7.1330 -7.1298 5.4611 5.4611 8.5014 8.5014 10.4899 10.4899 10.5712 10.5717 11.4646 11.4646 11.4995 11.5092 11.5885 11.5885 13.3001 13.3108 13.3290 13.3290 14.9351 14.9351 15.5873 15.5873 15.8279 15.8400 16.8706 16.8706 k = 0.4889 0.2823 0.1996 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9219 -14.9219 -14.9019 -14.9019 -8.1901 -8.1901 -8.1469 -8.1454 -7.1777 -7.1777 -7.1388 -7.1388 -7.1323 -7.1306 5.4732 5.4732 8.4888 8.4888 10.4896 10.4896 10.5712 10.5714 11.4644 11.4644 11.5008 11.5057 11.5888 11.5888 13.3066 13.3119 13.3342 13.3342 14.9195 14.9195 15.6027 15.6027 15.8490 15.8552 16.8411 16.8411 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9219 -14.9219 -14.9018 -14.9018 -8.1901 -8.1901 -8.1462 -8.1462 -7.1777 -7.1777 -7.1388 -7.1388 -7.1315 -7.1315 5.4772 5.4772 8.4846 8.4846 10.4896 10.4896 10.5713 10.5713 11.4644 11.4644 11.5030 11.5030 11.5889 11.5889 13.3106 13.3106 13.3359 13.3359 14.9143 14.9143 15.6081 15.6081 15.8584 15.8584 16.8311 16.8311 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9219 -14.9219 -14.9018 -14.9018 -8.1901 -8.1901 -8.1462 -8.1462 -7.1777 -7.1777 -7.1388 -7.1388 -7.1315 -7.1315 5.4772 5.4772 8.4846 8.4846 10.4896 10.4896 10.5713 10.5713 11.4644 11.4644 11.5030 11.5030 11.5889 11.5889 13.3106 13.3106 13.3359 13.3359 14.9143 14.9143 15.6081 15.6081 15.8584 15.8584 16.8311 16.8311 k = 0.5039 0.2774 0.2105 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9220 -14.9218 -14.9019 -14.9019 -8.1902 -8.1900 -8.1462 -8.1462 -7.1778 -7.1775 -7.1390 -7.1386 -7.1314 -7.1314 5.4744 5.4823 8.4825 8.4889 10.4887 10.4899 10.5711 10.5711 11.4632 11.4654 11.5033 11.5033 11.5886 11.5895 13.3083 13.3086 13.3340 13.3355 14.9029 14.9164 15.5960 15.6140 15.8548 15.8549 16.8279 16.8418 k = 0.5078 0.2661 0.2169 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9221 -14.9217 -14.9020 -14.9020 -8.1904 -8.1899 -8.1463 -8.1463 -7.1780 -7.1774 -7.1394 -7.1386 -7.1314 -7.1314 5.4738 5.4896 8.4827 8.4954 10.4874 10.4897 10.5708 10.5708 11.4620 11.4663 11.5045 11.5045 11.5889 11.5906 13.3001 13.3022 13.3318 13.3332 14.8825 14.9089 15.5781 15.6139 15.8442 15.8453 16.8325 16.8590 k = 0.5117 0.2548 0.2233 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9221 -14.9216 -14.9021 -14.9021 -8.1905 -8.1899 -8.1464 -8.1464 -7.1781 -7.1772 -7.1398 -7.1386 -7.1313 -7.1312 5.4753 5.4991 8.4851 8.5042 10.4852 10.4888 10.5706 10.5707 11.4608 11.4669 11.5064 11.5065 11.5898 11.5921 13.2844 13.2896 13.3309 13.3311 14.8531 14.8917 15.5554 15.6079 15.8272 15.8305 16.8446 16.8813 k = 0.5156 0.2436 0.2296 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9222 -14.9215 -14.9022 -14.9022 -8.1906 -8.1898 -8.1466 -8.1466 -7.1782 -7.1770 -7.1402 -7.1388 -7.1313 -7.1310 5.4791 5.5108 8.4897 8.5152 10.4818 10.4866 10.5709 10.5711 11.4597 11.4674 11.5091 11.5092 11.5914 11.5939 13.2616 13.2699 13.3297 13.3317 14.8149 14.8642 15.5291 15.5966 15.8054 15.8118 16.8633 16.9073 k = 0.5195 0.2323 0.2360 ( 2127 PWs) bands (ev): -48.0683 -48.0682 -22.5039 -22.5038 -14.9222 -14.9213 -14.9023 -14.9023 -8.1908 -8.1898 -8.1468 -8.1468 -7.1783 -7.1769 -7.1407 -7.1391 -7.1312 -7.1308 5.4850 5.5246 8.4966 8.5285 10.4767 10.4828 10.5721 10.5725 11.4587 11.4676 11.5125 11.5126 11.5938 11.5960 13.2327 13.2436 13.3295 13.3332 14.7681 14.8263 15.5007 15.5801 15.7807 15.7903 16.8872 16.9356 k = 0.5234 0.2210 0.2424 ( 2131 PWs) bands (ev): -48.0683 -48.0682 -22.5040 -22.5039 -14.9223 -14.9212 -14.9025 -14.9025 -8.1910 -8.1897 -8.1471 -8.1470 -7.1784 -7.1767 -7.1412 -7.1395 -7.1312 -7.1305 5.4930 5.5404 8.5058 8.5440 10.4694 10.4767 10.5746 10.5755 11.4578 11.4674 11.5164 11.5166 11.5969 11.5983 13.1983 13.2114 13.3301 13.3352 14.7133 14.7782 15.4713 15.5585 15.7555 15.7671 16.9145 16.9649 k = 0.5273 0.2097 0.2488 ( 2129 PWs) bands (ev): -48.0683 -48.0682 -22.5040 -22.5039 -14.9223 -14.9210 -14.9027 -14.9026 -8.1912 -8.1897 -8.1474 -8.1474 -7.1785 -7.1765 -7.1417 -7.1400 -7.1312 -7.1302 5.5030 5.5583 8.5172 8.5618 10.4596 10.4683 10.5787 10.5801 11.4571 11.4668 11.5211 11.5212 11.6009 11.6010 13.1592 13.1739 13.3313 13.3377 14.6511 14.7205 15.4417 15.5316 15.7320 15.7432 16.9438 16.9941 k = 0.5312 0.1985 0.2552 ( 2131 PWs) bands (ev): -48.0683 -48.0682 -22.5041 -22.5039 -14.9223 -14.9209 -14.9030 -14.9029 -8.1914 -8.1897 -8.1478 -8.1477 -7.1786 -7.1764 -7.1422 -7.1406 -7.1312 -7.1298 5.5149 5.5781 8.5309 8.5819 10.4472 10.4573 10.5845 10.5866 11.4565 11.4658 11.5262 11.5265 11.6037 11.6060 13.1160 13.1317 13.3330 13.3406 14.5826 14.6543 15.4121 15.4996 15.7118 15.7197 16.9734 17.0224 k = 0.5352 0.1872 0.2615 ( 2131 PWs) bands (ev): -48.0682 -48.0682 -22.5041 -22.5039 -14.9223 -14.9207 -14.9032 -14.9031 -8.1916 -8.1897 -8.1482 -8.1481 -7.1787 -7.1762 -7.1427 -7.1412 -7.1312 -7.1295 5.5287 5.5996 8.5470 8.6042 10.4322 10.4439 10.5919 10.5948 11.4561 11.4642 11.5319 11.5323 11.6067 11.6120 13.0691 13.0853 13.3350 13.3437 14.5089 14.5809 15.3823 15.4629 15.6955 15.6974 17.0020 17.0489 k = 0.5391 0.1759 0.2679 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5042 -22.5040 -14.9223 -14.9205 -14.9035 -14.9034 -8.1918 -8.1897 -8.1487 -8.1485 -7.1788 -7.1760 -7.1433 -7.1418 -7.1313 -7.1292 5.5443 5.6229 8.5653 8.6288 10.4146 10.4282 10.6009 10.6045 11.4558 11.4619 11.5380 11.5388 11.6098 11.6189 13.0190 13.0352 13.3374 13.3472 14.4312 14.5019 15.3521 15.4225 15.6770 15.6832 17.0284 17.0729 k = 0.5430 0.1646 0.2743 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5041 -14.9223 -14.9203 -14.9039 -14.9037 -8.1921 -8.1897 -8.1492 -8.1489 -7.1788 -7.1758 -7.1438 -7.1425 -7.1314 -7.1288 5.5615 5.6478 8.5860 8.6557 10.3947 10.4104 10.6112 10.6157 11.4556 11.4589 11.5445 11.5459 11.6131 11.6267 12.9661 12.9817 13.3401 13.3508 14.3508 14.4188 15.3210 15.3796 15.6591 15.6744 17.0518 17.0938 k = 0.5469 0.1534 0.2807 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5041 -14.9223 -14.9201 -14.9042 -14.9039 -8.1923 -8.1898 -8.1497 -8.1494 -7.1789 -7.1757 -7.1442 -7.1432 -7.1315 -7.1285 5.5803 5.6741 8.6090 8.6849 10.3725 10.3905 10.6228 10.6282 11.4551 11.4554 11.5515 11.5535 11.6166 11.6355 12.9110 12.9254 13.3431 13.3547 14.2689 14.3333 15.2890 15.3352 15.6438 15.6686 17.0713 17.1113 k = 0.5508 0.1421 0.2870 ( 2131 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5041 -14.9223 -14.9199 -14.9045 -14.9042 -8.1925 -8.1898 -8.1503 -8.1499 -7.1790 -7.1755 -7.1447 -7.1440 -7.1317 -7.1282 5.6005 5.7018 8.6344 8.7163 10.3481 10.3688 10.6356 10.6419 11.4504 11.4551 11.5587 11.5616 11.6202 11.6452 12.8538 12.8665 13.3463 13.3587 14.1869 14.2466 15.2560 15.2901 15.6314 15.6652 17.0863 17.1248 k = 0.5547 0.1308 0.2934 ( 2132 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5042 -14.9223 -14.9197 -14.9049 -14.9044 -8.1928 -8.1899 -8.1509 -8.1504 -7.1790 -7.1753 -7.1451 -7.1448 -7.1319 -7.1280 5.6219 5.7305 8.6621 8.7499 10.3216 10.3452 10.6495 10.6566 11.4448 11.4546 11.5662 11.5703 11.6239 11.6557 12.7949 12.8053 13.3497 13.3627 14.1056 14.1601 15.2225 15.2451 15.6215 15.6639 17.0965 17.1342 k = 0.5586 0.1195 0.2998 ( 2134 PWs) bands (ev): -48.0682 -48.0682 -22.5045 -22.5043 -14.9224 -14.9195 -14.9053 -14.9047 -8.1930 -8.1899 -8.1515 -8.1509 -7.1791 -7.1752 -7.1455 -7.1455 -7.1321 -7.1277 5.6445 5.7602 8.6922 8.7857 10.2931 10.3201 10.6643 10.6724 11.4381 11.4536 11.5738 11.5792 11.6278 11.6669 12.7348 12.7423 13.3532 13.3667 14.0262 14.0748 15.1887 15.2007 15.6140 15.6642 17.1016 17.1390 k = 0.5625 0.1083 0.3062 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5046 -22.5043 -14.9224 -14.9193 -14.9057 -14.9050 -8.1932 -8.1900 -8.1522 -8.1514 -7.1792 -7.1751 -7.1463 -7.1459 -7.1324 -7.1275 5.6680 5.7907 8.7247 8.8236 10.2628 10.2934 10.6800 10.6890 11.4303 11.4521 11.5814 11.5885 11.6318 11.6789 12.6736 12.6778 13.3567 13.3706 13.9495 13.9918 15.1551 15.1575 15.6084 15.6659 17.1015 17.1393 k = 0.5664 0.0970 0.3126 ( 2133 PWs) bands (ev): -48.0682 -48.0681 -22.5047 -22.5044 -14.9224 -14.9191 -14.9060 -14.9052 -8.1934 -8.1901 -8.1529 -8.1520 -7.1792 -7.1749 -7.1471 -7.1462 -7.1326 -7.1273 5.6922 5.8217 8.7594 8.8635 10.2307 10.2654 10.6965 10.7065 11.4213 11.4498 11.5891 11.5979 11.6360 11.6915 12.6120 12.6124 13.3601 13.3743 13.8761 13.9118 15.1159 15.1223 15.6045 15.6686 17.0961 17.1349 k = 0.5703 0.0857 0.3189 ( 2137 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9225 -14.9190 -14.9064 -14.9055 -8.1936 -8.1901 -8.1536 -8.1525 -7.1793 -7.1748 -7.1478 -7.1465 -7.1329 -7.1271 5.7171 5.8531 8.7964 8.9053 10.1969 10.2363 10.7137 10.7248 11.4110 11.4464 11.5965 11.6073 11.6403 11.7047 12.5465 12.5503 13.3632 13.3775 13.8066 13.8356 15.0764 15.0908 15.6019 15.6720 17.0856 17.1258 k = 0.5742 0.0744 0.3253 ( 2137 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9225 -14.9189 -14.9067 -14.9057 -8.1938 -8.1902 -8.1543 -8.1530 -7.1793 -7.1747 -7.1486 -7.1467 -7.1332 -7.1270 5.7424 5.8846 8.8355 8.9486 10.1617 10.2062 10.7317 10.7437 11.3993 11.4417 11.6037 11.6166 11.6450 11.7185 12.4809 12.4891 13.3660 13.3802 13.7414 13.7636 15.0394 15.0609 15.6002 15.6760 17.0702 17.1121 k = 0.5781 0.0631 0.3317 ( 2139 PWs) bands (ev): -48.0681 -48.0681 -22.5049 -22.5046 -14.9226 -14.9188 -14.9070 -14.9060 -8.1940 -8.1903 -8.1550 -8.1535 -7.1794 -7.1746 -7.1493 -7.1469 -7.1335 -7.1269 5.7678 5.9159 8.8767 8.9934 10.1252 10.1754 10.7502 10.7633 11.3861 11.4354 11.6105 11.6257 11.6499 11.7328 12.4163 12.4292 13.3682 13.3822 13.6807 13.6963 15.0052 15.0333 15.5991 15.6803 17.0504 17.0939 k = 0.5820 0.0519 0.3381 ( 2136 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5047 -14.9227 -14.9187 -14.9072 -14.9061 -8.1941 -8.1904 -8.1558 -8.1540 -7.1795 -7.1745 -7.1500 -7.1471 -7.1338 -7.1268 5.7933 5.9469 8.9196 9.0392 10.0876 10.1443 10.7693 10.7835 11.3713 11.4272 11.6168 11.6343 11.6550 11.7475 12.3534 12.3713 13.3696 13.3831 13.6246 13.6339 14.9743 15.0084 15.5983 15.6846 17.0265 17.0716 k = 0.5859 0.0406 0.3445 ( 2144 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5048 -14.9229 -14.9187 -14.9075 -14.9063 -8.1943 -8.1905 -8.1566 -8.1544 -7.1795 -7.1745 -7.1507 -7.1472 -7.1341 -7.1268 5.8185 5.9771 8.9641 9.0855 10.0492 10.1133 10.7889 10.8041 11.3549 11.4167 11.6223 11.6424 11.6604 11.7623 12.2931 12.3163 13.3698 13.3826 13.5731 13.5766 14.9470 14.9866 15.5976 15.6886 16.9992 17.0452 k = 0.5898 0.0293 0.3508 ( 2142 PWs) bands (ev): -48.0681 -48.0681 -22.5052 -22.5049 -14.9230 -14.9187 -14.9077 -14.9064 -8.1943 -8.1906 -8.1573 -8.1549 -7.1796 -7.1744 -7.1513 -7.1473 -7.1344 -7.1268 5.8433 6.0065 9.0097 9.1317 10.0105 10.0831 10.8089 10.8252 11.3370 11.4039 11.6273 11.6497 11.6660 11.7774 12.2363 12.2650 13.3687 13.3804 13.5247 13.5263 14.9237 14.9683 15.5967 15.6921 16.9692 17.0153 k = 0.5938 0.0180 0.3572 ( 2142 PWs) bands (ev): -48.0681 -48.0681 -22.5052 -22.5049 -14.9232 -14.9188 -14.9079 -14.9065 -8.1944 -8.1907 -8.1581 -8.1552 -7.1797 -7.1744 -7.1519 -7.1473 -7.1347 -7.1268 5.8674 6.0346 9.0558 9.1767 9.9722 10.0545 10.8293 10.8467 11.3177 11.3887 11.6317 11.6563 11.6716 11.7924 12.1837 12.2182 13.3657 13.3757 13.4784 13.4842 14.9047 14.9538 15.5952 15.6947 16.9373 16.9820 k = 0.5977 0.0068 0.3636 ( 2141 PWs) bands (ev): -48.0681 -48.0681 -22.5053 -22.5050 -14.9233 -14.9188 -14.9079 -14.9066 -8.1944 -8.1908 -8.1589 -8.1556 -7.1797 -7.1743 -7.1524 -7.1473 -7.1350 -7.1268 5.8905 6.0611 9.1015 9.2193 9.9350 10.0287 10.8501 10.8685 11.2971 11.3712 11.6354 11.6618 11.6771 11.8070 12.1361 12.1764 13.3601 13.3673 13.4387 13.4469 14.8903 14.9436 15.5930 15.6961 16.9042 16.9458 k = 0.6016-0.0045 0.3700 ( 2143 PWs) bands (ev): -48.0681 -48.0681 -22.5054 -22.5050 -14.9235 -14.9190 -14.9080 -14.9066 -8.1943 -8.1909 -8.1597 -8.1559 -7.1798 -7.1743 -7.1529 -7.1473 -7.1353 -7.1269 5.9124 6.0859 9.1456 9.2579 9.9004 10.0073 10.8711 10.8905 11.2757 11.3517 11.6385 11.6663 11.6823 11.8208 12.0942 12.1402 13.3512 13.3527 13.4073 13.4149 14.8809 14.9377 15.5898 15.6959 16.8709 16.9070 k = 0.6055-0.0158 0.3764 ( 2144 PWs) bands (ev): -48.0681 -48.0680 -22.5054 -22.5051 -14.9237 -14.9192 -14.9080 -14.9066 -8.1942 -8.1911 -8.1605 -8.1562 -7.1799 -7.1743 -7.1533 -7.1472 -7.1356 -7.1269 5.9328 6.1085 9.1862 9.2901 9.8701 9.9925 10.8924 10.9127 11.2539 11.3309 11.6411 11.6696 11.6871 11.8332 12.0589 12.1096 13.3309 13.3375 13.3851 13.3888 14.8767 14.9365 15.5856 15.6938 16.8380 16.8659 k = 0.6094-0.0271 0.3827 ( 2140 PWs) bands (ev): -48.0681 -48.0680 -22.5054 -22.5051 -14.9238 -14.9194 -14.9079 -14.9066 -8.1941 -8.1912 -8.1612 -8.1565 -7.1799 -7.1743 -7.1537 -7.1471 -7.1358 -7.1271 5.9516 6.1286 9.2208 9.3139 9.8468 9.9863 10.9139 10.9351 11.2324 11.3095 11.6432 11.6717 11.6913 11.8432 12.0309 12.0846 13.3052 13.3191 13.3681 13.3682 14.8778 14.9401 15.5801 15.6896 16.8063 16.8226 k = 0.6133-0.0383 0.3891 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5051 -14.9240 -14.9196 -14.9078 -14.9065 -8.1939 -8.1912 -8.1620 -8.1567 -7.1800 -7.1744 -7.1540 -7.1470 -7.1360 -7.1272 5.9682 6.1460 9.2465 9.3270 9.8335 9.9908 10.9355 10.9575 11.2117 11.2884 11.6448 11.6725 11.6949 11.8497 12.0114 12.0650 13.2794 13.2979 13.3507 13.3521 14.8845 14.9484 15.5734 15.6831 16.7761 16.7777 k = 0.6172-0.0496 0.3955 ( 2139 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5051 -14.9242 -14.9198 -14.9077 -14.9065 -8.1936 -8.1913 -8.1627 -8.1568 -7.1800 -7.1744 -7.1543 -7.1468 -7.1362 -7.1273 5.9826 6.1602 9.2603 9.3284 9.8333 10.0071 10.9572 10.9798 11.1927 11.2687 11.6459 11.6720 11.6979 11.8515 12.0010 12.0503 13.2550 13.2760 13.3337 13.3352 14.8966 14.9614 15.5657 15.6741 16.7313 16.7475 k = 0.6211-0.0609 0.4019 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9244 -14.9201 -14.9075 -14.9064 -8.1933 -8.1914 -8.1635 -8.1569 -7.1801 -7.1745 -7.1545 -7.1467 -7.1363 -7.1275 5.9944 6.1711 9.2607 9.3183 9.8478 10.0347 10.9790 11.0020 11.1760 11.2515 11.6465 11.6704 11.7001 11.8486 11.9994 12.0400 13.2323 13.2543 13.3159 13.3166 14.9142 14.9790 15.5571 15.6627 16.6838 16.7200 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.6184-0.0684 0.4190 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9074 -14.9063 -8.1930 -8.1914 -8.1643 -8.1569 -7.1801 -7.1745 -7.1546 -7.1465 -7.1364 -7.1276 6.0036 6.1786 9.2499 9.3000 9.8770 10.0721 10.9968 11.0228 11.1652 11.2379 11.6452 11.6678 11.7025 11.8423 12.0051 12.0337 13.1519 13.1774 13.3435 13.3621 14.9379 15.0019 15.5478 15.6485 16.5956 16.7250 k = 0.6118-0.0646 0.4297 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9245 -14.9203 -14.9074 -14.9063 -8.1931 -8.1912 -8.1647 -8.1566 -7.1801 -7.1745 -7.1547 -7.1465 -7.1365 -7.1276 6.0043 6.1800 9.2546 9.3050 9.8780 10.0717 10.9849 11.0200 11.1735 11.2382 11.6414 11.6677 11.7050 11.8423 12.0063 12.0339 13.0673 13.0937 13.4247 13.4432 14.9404 15.0054 15.5464 15.6462 16.5348 16.7381 k = 0.6053-0.0608 0.4405 ( 2142 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5052 -14.9245 -14.9202 -14.9075 -14.9064 -8.1933 -8.1910 -8.1652 -8.1562 -7.1801 -7.1744 -7.1549 -7.1464 -7.1366 -7.1275 6.0056 6.1823 9.2625 9.3133 9.8796 10.0708 10.9660 11.0162 11.1852 11.2389 11.6362 11.6670 11.7088 11.8423 12.0083 12.0341 12.9809 13.0081 13.5066 13.5234 14.9447 15.0113 15.5442 15.6424 16.4719 16.6977 k = 0.5987-0.0570 0.4512 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9244 -14.9201 -14.9076 -14.9065 -8.1935 -8.1907 -8.1658 -8.1558 -7.1801 -7.1744 -7.1551 -7.1462 -7.1368 -7.1273 6.0072 6.1854 9.2735 9.3248 9.8819 10.0697 10.9417 11.0110 11.1988 11.2400 11.6303 11.6656 11.7134 11.8421 12.0109 12.0344 12.8949 12.9231 13.5863 13.6011 14.9509 15.0197 15.5412 15.6372 16.4089 16.6418 k = 0.5921-0.0532 0.4620 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9244 -14.9200 -14.9077 -14.9066 -8.1937 -8.1904 -8.1666 -8.1553 -7.1801 -7.1743 -7.1554 -7.1461 -7.1371 -7.1272 6.0094 6.1893 9.2876 9.3395 9.8847 10.0681 10.9129 11.0040 11.2131 11.2420 11.6242 11.6636 11.7184 11.8418 12.0142 12.0345 12.8105 12.8399 13.6626 13.6754 14.9591 15.0308 15.5378 15.6308 16.3464 16.5820 k = 0.5855-0.0494 0.4727 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5052 -14.9243 -14.9199 -14.9078 -14.9067 -8.1939 -8.1901 -8.1673 -8.1548 -7.1801 -7.1742 -7.1557 -7.1459 -7.1373 -7.1270 6.0119 6.1939 9.3047 9.3574 9.8881 10.0660 10.8803 10.9947 11.2272 11.2451 11.6182 11.6613 11.7236 11.8414 12.0179 12.0342 12.7286 12.7594 13.7345 13.7462 14.9697 15.0448 15.5342 15.6234 16.2847 16.5209 k = 0.5789-0.0456 0.4835 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5052 -14.9243 -14.9197 -14.9080 -14.9068 -8.1941 -8.1898 -8.1681 -8.1543 -7.1801 -7.1740 -7.1560 -7.1457 -7.1376 -7.1268 6.0148 6.1992 9.3249 9.3783 9.8919 10.0633 10.8444 10.9826 11.2395 11.2506 11.6126 11.6587 11.7287 11.8408 12.0218 12.0333 12.6502 12.6827 13.8009 13.8131 14.9826 15.0618 15.5306 15.6151 16.2240 16.4594 k = 0.5724-0.0418 0.4942 ( 2144 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9242 -14.9195 -14.9082 -14.9070 -8.1943 -8.1895 -8.1689 -8.1539 -7.1801 -7.1739 -7.1563 -7.1455 -7.1380 -7.1266 6.0180 6.2049 9.3480 9.4022 9.8961 10.0598 10.8052 10.9674 11.2478 11.2604 11.6077 11.6560 11.7337 11.8399 12.0258 12.0316 12.5762 12.6105 13.8612 13.8759 14.9981 15.0818 15.5275 15.6061 16.1644 16.3977 k = 0.5658-0.0380 0.5049 ( 2142 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9241 -14.9193 -14.9084 -14.9071 -8.1944 -8.1892 -8.1697 -8.1534 -7.1801 -7.1738 -7.1567 -7.1453 -7.1383 -7.1264 6.0215 6.2110 9.3740 9.4288 9.9005 10.0553 10.7634 10.9492 11.2541 11.2722 11.6035 11.6534 11.7384 11.8389 12.0279 12.0302 12.5077 12.5438 13.9152 13.9337 15.0162 15.1049 15.5253 15.5966 16.1061 16.3361 k = 0.5592-0.0342 0.5157 ( 2145 PWs) bands (ev): -48.0680 -48.0680 -22.5057 -22.5053 -14.9241 -14.9192 -14.9086 -14.9072 -8.1946 -8.1890 -8.1704 -8.1531 -7.1801 -7.1736 -7.1570 -7.1450 -7.1387 -7.1262 6.0252 6.2174 9.4027 9.4581 9.9047 10.0493 10.7192 10.9279 11.2604 11.2836 11.6003 11.6511 11.7428 11.8378 12.0231 12.0333 12.4460 12.4832 13.9630 13.9861 15.0367 15.1308 15.5244 15.5869 16.0493 16.2747 k = 0.5526-0.0304 0.5264 ( 2153 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5054 -14.9241 -14.9190 -14.9089 -14.9075 -8.1947 -8.1888 -8.1711 -8.1527 -7.1802 -7.1735 -7.1574 -7.1448 -7.1391 -7.1261 6.0290 6.2239 9.4341 9.4899 9.9085 10.0414 10.6734 10.9041 11.2668 11.2938 11.5981 11.6490 11.7470 11.8366 12.0156 12.0360 12.3920 12.4292 14.0046 14.0325 15.0593 15.1594 15.5254 15.5771 15.9943 16.2137 k = 0.5461-0.0266 0.5372 ( 2155 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5055 -14.9240 -14.9188 -14.9091 -14.9076 -8.1948 -8.1886 -8.1717 -8.1524 -7.1802 -7.1734 -7.1577 -7.1446 -7.1395 -7.1259 6.0329 6.2304 9.4678 9.5239 9.9115 10.0310 10.6269 10.8784 11.2734 11.3024 11.5969 11.6475 11.7509 11.8358 12.0052 12.0377 12.3469 12.3826 14.0401 14.0729 15.0835 15.1900 15.5290 15.5672 15.9418 16.1535 k = 0.5395-0.0228 0.5479 ( 2155 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5055 -14.9240 -14.9186 -14.9093 -14.9078 -8.1949 -8.1884 -8.1722 -8.1522 -7.1802 -7.1732 -7.1580 -7.1443 -7.1398 -7.1258 6.0367 6.2367 9.5037 9.5599 9.9129 10.0173 10.5810 10.8517 11.2798 11.3093 11.5966 11.6464 11.7544 11.8353 11.9919 12.0381 12.3112 12.3437 14.0699 14.1073 15.1083 15.2221 15.5355 15.5572 15.8925 16.0942 k = 0.5329-0.0190 0.5587 ( 2159 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9240 -14.9185 -14.9096 -14.9079 -8.1950 -8.1883 -8.1727 -8.1520 -7.1802 -7.1731 -7.1583 -7.1441 -7.1402 -7.1256 6.0403 6.2426 9.5414 9.5977 9.9118 9.9994 10.5375 10.8254 11.2858 11.3144 11.5970 11.6457 11.7575 11.8357 11.9761 12.0372 12.2845 12.3125 14.0942 14.1356 15.1326 15.2548 15.5436 15.5484 15.8477 16.0365 k = 0.5263-0.0152 0.5694 ( 2159 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9239 -14.9183 -14.9097 -14.9080 -8.1950 -8.1882 -8.1731 -8.1518 -7.1802 -7.1730 -7.1585 -7.1438 -7.1406 -7.1255 6.0436 6.2478 9.5803 9.6367 9.9075 9.9766 10.4982 10.8009 11.2911 11.3177 11.5980 11.6454 11.7602 11.8373 11.9589 12.0351 12.2661 12.2885 14.1134 14.1582 15.1550 15.2870 15.5347 15.5589 15.8094 15.9812 k = 0.5197-0.0114 0.5801 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9239 -14.9182 -14.9099 -14.9081 -8.1951 -8.1882 -8.1733 -8.1517 -7.1802 -7.1729 -7.1587 -7.1436 -7.1409 -7.1255 6.0464 6.2523 9.6195 9.6764 9.8989 9.9484 10.4654 10.7797 11.2955 11.3197 11.5992 11.6453 11.7622 11.8404 11.9418 12.0324 12.2546 12.2711 14.1278 14.1754 15.1744 15.3174 15.5222 15.5739 15.7799 15.9297 k = 0.5132-0.0076 0.5909 ( 2158 PWs) bands (ev): -48.0681 -48.0680 -22.5059 -22.5055 -14.9238 -14.9181 -14.9100 -14.9081 -8.1951 -8.1882 -8.1735 -8.1516 -7.1802 -7.1729 -7.1588 -7.1433 -7.1412 -7.1254 6.0486 6.2558 9.6571 9.7156 9.8862 9.9156 10.4409 10.7634 11.2987 11.3205 11.6004 11.6452 11.7635 11.8448 11.9265 12.0297 12.2485 12.2594 14.1379 14.1875 15.1894 15.3437 15.5089 15.5888 15.7615 15.8848 k = 0.5066-0.0038 0.6016 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9099 -14.9080 -8.1951 -8.1882 -8.1736 -8.1516 -7.1802 -7.1728 -7.1589 -7.1432 -7.1414 -7.1254 6.0501 6.2581 9.6883 9.7507 9.8717 9.8826 10.4259 10.7531 11.3007 11.3207 11.6012 11.6453 11.7642 11.8493 11.9153 12.0277 12.2463 12.2523 14.1438 14.1946 15.1991 15.3624 15.4976 15.6002 15.7540 15.8516 k = 0.5000 0.0000 0.6124 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1882 -8.1737 -8.1516 -7.1802 -7.1728 -7.1589 -7.1431 -7.1415 -7.1253 6.0506 6.2589 9.7022 9.7683 9.8637 9.8650 10.4210 10.7495 11.3013 11.3207 11.6016 11.6453 11.7643 11.8514 11.9109 12.0269 12.2463 12.2495 14.1457 14.1970 15.2025 15.3691 15.4930 15.6047 15.7525 15.8390 k = 0.5000 0.0000 0.6124 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1882 -8.1737 -8.1516 -7.1802 -7.1728 -7.1589 -7.1431 -7.1415 -7.1253 6.0506 6.2589 9.7022 9.7683 9.8637 9.8650 10.4210 10.7495 11.3013 11.3207 11.6016 11.6453 11.7643 11.8514 11.9109 12.0269 12.2463 12.2495 14.1457 14.1970 15.2025 15.3691 15.4930 15.6047 15.7525 15.8390 k = 0.5000 0.0078 0.6013 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5054 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1882 -8.1736 -8.1516 -7.1802 -7.1728 -7.1589 -7.1433 -7.1413 -7.1254 6.0494 6.2575 9.6944 9.7689 9.8564 9.8657 10.4294 10.7559 11.2998 11.3204 11.6010 11.6454 11.7654 11.8552 11.9105 12.0260 12.2465 12.2542 14.1458 14.1968 15.1954 15.3564 15.5006 15.5948 15.7576 15.8631 k = 0.5000 0.0156 0.5903 ( 2152 PWs) bands (ev): -48.0680 -48.0680 -22.5058 -22.5055 -14.9238 -14.9179 -14.9100 -14.9080 -8.1951 -8.1883 -8.1733 -8.1516 -7.1802 -7.1728 -7.1588 -7.1436 -7.1410 -7.1254 6.0456 6.2531 9.6715 9.7689 9.8395 9.8663 10.4529 10.7737 11.2960 11.3191 11.5993 11.6453 11.7687 11.8660 11.9096 12.0235 12.2503 12.2647 14.1462 14.1961 15.1748 15.3280 15.5128 15.5722 15.7831 15.9186 k = 0.5000 0.0234 0.5793 ( 2154 PWs) bands (ev): -48.0681 -48.0680 -22.5058 -22.5055 -14.9238 -14.9179 -14.9100 -14.9081 -8.1951 -8.1884 -8.1729 -8.1516 -7.1802 -7.1729 -7.1586 -7.1439 -7.1405 -7.1254 6.0395 6.2459 9.6356 9.7606 9.8213 9.8697 10.4879 10.8003 11.2911 11.3166 11.5969 11.6449 11.7740 11.8834 11.9082 12.0209 12.2585 12.2796 14.1467 14.1947 15.1434 15.2949 15.5142 15.5543 15.8304 15.9885 k = 0.5000 0.0312 0.5682 ( 2148 PWs) bands (ev): -48.0680 -48.0680 -22.5057 -22.5054 -14.9236 -14.9178 -14.9099 -14.9080 -8.1951 -8.1885 -8.1723 -8.1515 -7.1801 -7.1730 -7.1583 -7.1443 -7.1400 -7.1254 6.0309 6.2359 9.5897 9.7318 9.8165 9.8771 10.5298 10.8316 11.2866 11.3131 11.5943 11.6438 11.7806 11.9066 11.9068 12.0204 12.2708 12.2985 14.1471 14.1924 15.1054 15.2606 15.5000 15.5519 15.8928 16.0660 k = 0.5000 0.0390 0.5572 ( 2148 PWs) bands (ev): -48.0681 -48.0680 -22.5057 -22.5053 -14.9236 -14.9178 -14.9099 -14.9079 -8.1951 -8.1887 -8.1716 -8.1515 -7.1801 -7.1730 -7.1580 -7.1447 -7.1395 -7.1254 6.0200 6.2232 9.5370 9.6864 9.8234 9.8885 10.5744 10.8635 11.2841 11.3092 11.5915 11.6420 11.7866 11.9044 11.9354 12.0249 12.2869 12.3208 14.1473 14.1889 15.0654 15.2261 15.4837 15.5550 15.9644 16.1480 k = 0.5000 0.0468 0.5462 ( 2148 PWs) bands (ev): -48.0681 -48.0680 -22.5057 -22.5053 -14.9235 -14.9178 -14.9098 -14.9079 -8.1952 -8.1888 -8.1708 -8.1515 -7.1801 -7.1731 -7.1576 -7.1451 -7.1390 -7.1255 6.0070 6.2079 9.4801 9.6330 9.8360 9.9035 10.6183 10.8921 11.2845 11.3061 11.5888 11.6397 11.7902 11.9006 11.9693 12.0382 12.3065 12.3463 14.1467 14.1837 15.0266 15.1929 15.4711 15.5584 16.0416 16.2329 k = 0.5000 0.0546 0.5351 ( 2156 PWs) bands (ev): -48.0681 -48.0680 -22.5057 -22.5054 -14.9234 -14.9178 -14.9098 -14.9079 -8.1952 -8.1890 -8.1699 -8.1514 -7.1800 -7.1732 -7.1571 -7.1454 -7.1384 -7.1255 5.9919 6.1901 9.4210 9.5753 9.8521 9.9216 10.6586 10.9142 11.2876 11.3063 11.5862 11.6370 11.7903 11.8942 12.0080 12.0627 12.3298 12.3747 14.1450 14.1767 14.9913 15.1628 15.4622 15.5618 16.1222 16.3194 k = 0.5000 0.0624 0.5241 ( 2150 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9233 -14.9178 -14.9096 -14.9078 -8.1951 -8.1892 -8.1689 -8.1514 -7.1799 -7.1733 -7.1566 -7.1457 -7.1379 -7.1256 5.9750 6.1701 9.3610 9.5154 9.8711 9.9426 10.6931 10.9283 11.2914 11.3132 11.5839 11.6342 11.7868 11.8852 12.0512 12.0992 12.3568 12.4060 14.1417 14.1677 14.9610 15.1374 15.4562 15.5650 16.2044 16.4066 k = 0.5000 0.0702 0.5131 ( 2152 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5052 -14.9232 -14.9178 -14.9095 -14.9077 -8.1951 -8.1893 -8.1679 -8.1513 -7.1799 -7.1734 -7.1560 -7.1460 -7.1374 -7.1256 5.9563 6.1479 9.3012 9.4546 9.8924 9.9658 10.7202 10.9339 11.2956 11.3268 11.5817 11.6312 11.7803 11.8739 12.0987 12.1460 12.3880 12.4402 14.1361 14.1573 14.9368 15.1179 15.4522 15.5682 16.2872 16.4938 k = 0.5000 0.0780 0.5020 ( 2150 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9231 -14.9178 -14.9093 -14.9076 -8.1951 -8.1894 -8.1667 -8.1512 -7.1798 -7.1735 -7.1554 -7.1462 -7.1369 -7.1257 5.9360 6.1237 9.2422 9.3937 9.9160 9.9912 10.7392 10.9321 11.3018 11.3440 11.5797 11.6282 11.7714 11.8610 12.1505 12.2001 12.4244 12.4777 14.1270 14.1466 14.9190 15.1052 15.4499 15.5715 16.3695 16.5801 k = 0.5000 0.0858 0.4910 ( 2150 PWs) bands (ev): -48.0681 -48.0681 -22.5055 -22.5051 -14.9230 -14.9178 -14.9092 -14.9074 -8.1950 -8.1895 -8.1656 -8.1512 -7.1798 -7.1737 -7.1547 -7.1464 -7.1364 -7.1258 5.9144 6.0978 9.1845 9.3335 9.9414 10.0182 10.7501 10.9242 11.3108 11.3624 11.5779 11.6253 11.7608 11.8470 12.2061 12.2583 12.4672 12.5186 14.1139 14.1366 14.9081 15.0994 15.4487 15.5750 16.4504 16.6648 k = 0.5000 0.0936 0.4800 ( 2144 PWs) bands (ev): -48.0681 -48.0681 -22.5053 -22.5050 -14.9229 -14.9179 -14.9089 -14.9072 -8.1949 -8.1896 -8.1644 -8.1511 -7.1797 -7.1738 -7.1540 -7.1465 -7.1359 -7.1259 5.8916 6.0704 9.1285 9.2743 9.9685 10.0467 10.7537 10.9118 11.3221 11.3802 11.5761 11.6224 11.7488 11.8323 12.2649 12.3170 12.5183 12.5636 14.0980 14.1271 14.9040 15.1005 15.4484 15.5787 16.5291 16.7472 k = 0.5000 0.1014 0.4689 ( 2144 PWs) bands (ev): -48.0681 -48.0681 -22.5053 -22.5049 -14.9228 -14.9180 -14.9086 -14.9071 -8.1948 -8.1897 -8.1633 -8.1510 -7.1796 -7.1739 -7.1533 -7.1466 -7.1354 -7.1260 5.8679 6.0416 9.0744 9.2164 9.9970 10.0763 10.7514 10.8961 11.3349 11.3963 11.5744 11.6197 11.7359 11.8172 12.3252 12.3731 12.5789 12.6131 14.0808 14.1180 14.9065 15.1082 15.4488 15.5827 16.6048 16.8265 k = 0.5000 0.1092 0.4579 ( 2140 PWs) bands (ev): -48.0681 -48.0681 -22.5052 -22.5048 -14.9227 -14.9181 -14.9083 -14.9068 -8.1947 -8.1897 -8.1621 -8.1508 -7.1796 -7.1740 -7.1525 -7.1467 -7.1349 -7.1261 5.8433 6.0118 9.0224 9.1603 10.0267 10.1067 10.7443 10.8780 11.3487 11.4103 11.5726 11.6173 11.7222 11.8017 12.3857 12.4256 12.6489 12.6677 14.0639 14.1096 14.9151 15.1219 15.4497 15.5871 16.6766 16.9020 k = 0.5000 0.1170 0.4469 ( 2140 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5048 -14.9226 -14.9182 -14.9080 -14.9066 -8.1946 -8.1898 -8.1609 -8.1507 -7.1795 -7.1742 -7.1517 -7.1467 -7.1345 -7.1262 5.8183 5.9810 8.9726 9.1060 10.0572 10.1376 10.7337 10.8582 11.3625 11.4220 11.5706 11.6151 11.7080 11.7861 12.4447 12.4750 12.7239 12.7294 14.0485 14.1028 14.9292 15.1410 15.4512 15.5918 16.7437 16.9727 k = 0.5000 0.1248 0.4358 ( 2140 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5047 -14.9225 -14.9183 -14.9076 -14.9064 -8.1944 -8.1898 -8.1597 -8.1505 -7.1795 -7.1743 -7.1509 -7.1466 -7.1341 -7.1264 5.7928 5.9496 8.9252 9.0537 10.0884 10.1688 10.7206 10.8374 11.3758 11.4315 11.5685 11.6132 11.6935 11.7705 12.5010 12.5230 12.7896 12.8092 14.0360 14.0988 14.9484 15.1648 15.4532 15.5969 16.8054 17.0379 k = 0.5000 0.1326 0.4248 ( 2142 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5047 -14.9225 -14.9185 -14.9073 -14.9062 -8.1942 -8.1898 -8.1585 -8.1504 -7.1794 -7.1744 -7.1501 -7.1465 -7.1337 -7.1266 5.7673 5.9178 8.8802 9.0036 10.1198 10.1999 10.7060 10.8160 11.3884 11.4389 11.5660 11.6117 11.6787 11.7549 12.5534 12.5717 12.8562 12.8925 14.0278 14.0989 14.9720 15.1927 15.4556 15.6024 16.8609 17.0963 k = 0.5000 0.1404 0.4138 ( 2134 PWs) bands (ev): -48.0681 -48.0681 -22.5048 -22.5045 -14.9224 -14.9186 -14.9069 -14.9059 -8.1940 -8.1898 -8.1574 -8.1502 -7.1793 -7.1746 -7.1492 -7.1464 -7.1333 -7.1267 5.7417 5.8858 8.8377 8.9556 10.1514 10.2308 10.6906 10.7944 11.4001 11.4447 11.5632 11.6104 11.6641 11.7396 12.6021 12.6221 12.9235 12.9743 14.0257 14.1044 14.9993 15.2240 15.4584 15.6086 16.9096 17.1466 k = 0.5000 0.1482 0.4027 ( 2140 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9224 -14.9189 -14.9065 -14.9057 -8.1938 -8.1898 -8.1563 -8.1500 -7.1793 -7.1747 -7.1484 -7.1461 -7.1330 -7.1269 5.7165 5.8539 8.7976 8.9100 10.1828 10.2610 10.6747 10.7729 11.4106 11.4490 11.5601 11.6091 11.6495 11.7244 12.6488 12.6730 12.9893 13.0519 14.0314 14.1170 15.0298 15.2581 15.4618 15.6153 16.9509 17.1866 k = 0.5000 0.1560 0.3917 ( 2148 PWs) bands (ev): -48.0682 -48.0682 -22.5048 -22.5046 -14.9225 -14.9192 -14.9062 -14.9054 -8.1935 -8.1898 -8.1552 -8.1498 -7.1792 -7.1749 -7.1476 -7.1459 -7.1327 -7.1272 5.6916 5.8221 8.7600 8.8666 10.2137 10.2903 10.6589 10.7518 11.4200 11.4520 11.5566 11.6077 11.6353 11.7097 12.6952 12.7236 13.0512 13.1226 14.0466 14.1379 15.0629 15.2945 15.4657 15.6226 16.9843 17.2139 k = 0.5000 0.1638 0.3807 ( 2142 PWs) bands (ev): -48.0682 -48.0682 -22.5047 -22.5044 -14.9224 -14.9193 -14.9057 -14.9051 -8.1933 -8.1898 -8.1542 -8.1495 -7.1792 -7.1750 -7.1467 -7.1456 -7.1324 -7.1274 5.6674 5.7908 8.7248 8.8255 10.2439 10.3185 10.6435 10.7312 11.4284 11.4543 11.5530 11.6058 11.6224 11.6955 12.7419 12.7739 13.1074 13.1840 14.0729 14.1682 15.0981 15.3327 15.4704 15.6308 17.0097 17.2261 k = 0.5000 0.1716 0.3696 ( 2136 PWs) bands (ev): -48.0682 -48.0682 -22.5046 -22.5043 -14.9223 -14.9195 -14.9053 -14.9048 -8.1931 -8.1898 -8.1532 -8.1493 -7.1791 -7.1752 -7.1459 -7.1452 -7.1321 -7.1277 5.6439 5.7602 8.6921 8.7869 10.2733 10.3454 10.6288 10.7114 11.4357 11.4559 11.5492 11.6007 11.6129 11.6819 12.7890 12.8239 13.1562 13.2346 14.1110 14.2084 15.1348 15.3719 15.4762 15.6399 17.0270 17.2238 k = 0.5000 0.1794 0.3586 ( 2136 PWs) bands (ev): -48.0682 -48.0682 -22.5045 -22.5042 -14.9223 -14.9197 -14.9050 -14.9045 -8.1928 -8.1898 -8.1523 -8.1490 -7.1790 -7.1753 -7.1452 -7.1447 -7.1319 -7.1279 5.6214 5.7304 8.6619 8.7505 10.3014 10.3706 10.6150 10.6924 11.4419 11.4571 11.5453 11.5907 11.6089 11.6689 12.8366 12.8735 13.1970 13.2740 14.1608 14.2583 15.1727 15.4114 15.4835 15.6500 17.0365 17.2103 k = 0.5000 0.1872 0.3476 ( 2138 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5042 -14.9223 -14.9199 -14.9046 -14.9042 -8.1926 -8.1897 -8.1514 -8.1488 -7.1790 -7.1755 -7.1447 -7.1440 -7.1317 -7.1282 5.6001 5.7015 8.6341 8.7165 10.3282 10.3939 10.6024 10.6743 11.4470 11.4581 11.5412 11.5792 11.6069 11.6567 12.8844 12.9225 13.2297 13.3028 14.2206 14.3166 15.2112 15.4489 15.4945 15.6611 17.0387 17.1894 k = 0.5000 0.1951 0.3365 ( 2136 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5041 -14.9223 -14.9201 -14.9042 -14.9040 -8.1923 -8.1897 -8.1506 -8.1485 -7.1789 -7.1757 -7.1442 -7.1433 -7.1315 -7.1285 5.5800 5.6739 8.6087 8.6849 10.3535 10.4151 10.5911 10.6574 11.4509 11.4593 11.5372 11.5679 11.6054 11.6455 12.9323 12.9708 13.2551 13.3227 14.2883 14.3817 15.2499 15.4778 15.5155 15.6736 17.0341 17.1634 k = 0.5000 0.2029 0.3255 ( 2138 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5041 -14.9224 -14.9203 -14.9039 -14.9037 -8.1921 -8.1897 -8.1499 -8.1482 -7.1788 -7.1758 -7.1437 -7.1426 -7.1314 -7.1288 5.5613 5.6475 8.5857 8.6556 10.3770 10.4339 10.5814 10.6416 11.4533 11.4608 11.5332 11.5574 11.6038 11.6352 12.9799 13.0181 13.2742 13.3353 14.3610 14.4513 15.2884 15.4949 15.5496 15.6874 17.0235 17.1338 k = 0.5000 0.2107 0.3145 ( 2134 PWs) bands (ev): -48.0682 -48.0682 -22.5042 -22.5040 -14.9223 -14.9205 -14.9036 -14.9034 -8.1918 -8.1897 -8.1492 -8.1479 -7.1788 -7.1760 -7.1432 -7.1419 -7.1313 -7.1292 5.5441 5.6227 8.5651 8.6287 10.3987 10.4501 10.5735 10.6272 11.4547 11.4627 11.5292 11.5477 11.6022 11.6259 13.0268 13.0639 13.2882 13.3424 14.4360 14.5229 15.3264 15.5084 15.5886 15.7026 17.0077 17.1020 k = 0.5000 0.2185 0.3034 ( 2130 PWs) bands (ev): -48.0682 -48.0682 -22.5041 -22.5039 -14.9223 -14.9207 -14.9032 -14.9031 -8.1916 -8.1897 -8.1486 -8.1477 -7.1787 -7.1762 -7.1427 -7.1412 -7.1312 -7.1295 5.5286 5.5994 8.5468 8.6040 10.4183 10.4634 10.5678 10.6141 11.4556 11.4645 11.5253 11.5390 11.6005 11.6178 13.0724 13.1079 13.2983 13.3457 14.5109 14.5939 15.3634 15.5221 15.6282 15.7192 16.9877 17.0686 k = 0.5000 0.2263 0.2924 ( 2130 PWs) bands (ev): -48.0682 -48.0682 -22.5041 -22.5039 -14.9223 -14.9209 -14.9029 -14.9029 -8.1914 -8.1897 -8.1481 -8.1474 -7.1786 -7.1764 -7.1422 -7.1406 -7.1312 -7.1298 5.5148 5.5778 8.5308 8.5817 10.4357 10.4735 10.5643 10.6026 11.4563 11.4659 11.5215 11.5312 11.5987 11.6108 13.1161 13.1493 13.3055 13.3463 14.5833 14.6619 15.3993 15.5369 15.6671 15.7372 16.9641 17.0347 k = 0.5000 0.2341 0.2814 ( 2126 PWs) bands (ev): -48.0682 -48.0682 -22.5040 -22.5038 -14.9223 -14.9210 -14.9027 -14.9026 -8.1912 -8.1897 -8.1476 -8.1472 -7.1785 -7.1765 -7.1417 -7.1400 -7.1312 -7.1302 5.5029 5.5581 8.5171 8.5617 10.4508 10.4805 10.5630 10.5927 11.4570 11.4668 11.5179 11.5244 11.5969 11.6049 13.1574 13.1877 13.3106 13.3451 14.6513 14.7247 15.4339 15.5527 15.7047 15.7563 16.9383 17.0011 k = 0.5000 0.2419 0.2703 ( 2122 PWs) bands (ev): -48.0682 -48.0682 -22.5039 -22.5037 -14.9222 -14.9211 -14.9024 -14.9024 -8.1910 -8.1897 -8.1472 -8.1469 -7.1784 -7.1767 -7.1412 -7.1395 -7.1312 -7.1305 5.4929 5.5403 8.5057 8.5439 10.4632 10.4849 10.5635 10.5847 11.4578 11.4674 11.5145 11.5186 11.5950 11.6003 13.1954 13.2221 13.3144 13.3429 14.7134 14.7804 15.4671 15.5689 15.7402 15.7760 16.9117 16.9683 k = 0.5000 0.2497 0.2593 ( 2128 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9222 -14.9213 -14.9023 -14.9023 -8.1908 -8.1898 -8.1469 -8.1467 -7.1783 -7.1769 -7.1407 -7.1391 -7.1312 -7.1308 5.4850 5.5245 8.4966 8.5284 10.4730 10.4874 10.5651 10.5786 11.4587 11.4675 11.5113 11.5137 11.5930 11.5967 13.2295 13.2517 13.3177 13.3402 14.7682 14.8273 15.4988 15.5845 15.7730 15.7958 16.8858 16.9369 k = 0.5000 0.2575 0.2483 ( 2128 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9222 -14.9215 -14.9022 -14.9022 -8.1906 -8.1898 -8.1466 -8.1465 -7.1782 -7.1770 -7.1402 -7.1388 -7.1313 -7.1310 5.4791 5.5107 8.4897 8.5152 10.4801 10.4887 10.5672 10.5745 11.4597 11.4674 11.5085 11.5097 11.5912 11.5941 13.2587 13.2758 13.3211 13.3375 14.8150 14.8646 15.5285 15.5980 15.8019 15.8147 16.8628 16.9077 k = 0.5000 0.2653 0.2372 ( 2128 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9221 -14.9216 -14.9020 -14.9020 -8.1905 -8.1899 -8.1464 -8.1464 -7.1781 -7.1772 -7.1397 -7.1386 -7.1313 -7.1312 5.4753 5.4991 8.4851 8.5042 10.4847 10.4894 10.5690 10.5722 11.4608 11.4669 11.5062 11.5067 11.5898 11.5921 13.2823 13.2931 13.3253 13.3354 14.8532 14.8918 15.5553 15.6083 15.8259 15.8318 16.8444 16.8813 k = 0.5000 0.2731 0.2262 ( 2128 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9221 -14.9217 -14.9020 -14.9020 -8.1904 -8.1899 -8.1463 -8.1463 -7.1780 -7.1774 -7.1394 -7.1386 -7.1314 -7.1314 5.4738 5.4896 8.4827 8.4954 10.4873 10.4898 10.5703 10.5713 11.4620 11.4663 11.5044 11.5046 11.5889 11.5906 13.2991 13.3036 13.3302 13.3345 14.8826 14.9090 15.5781 15.6139 15.8438 15.8457 16.8324 16.8590 k = 0.5000 0.2809 0.2152 ( 2128 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9220 -14.9218 -14.9019 -14.9019 -8.1902 -8.1900 -8.1462 -8.1462 -7.1778 -7.1775 -7.1390 -7.1386 -7.1314 -7.1314 5.4744 5.4823 8.4825 8.4889 10.4887 10.4899 10.5710 10.5712 11.4632 11.4654 11.5033 11.5033 11.5886 11.5895 13.3082 13.3088 13.3340 13.3356 14.9030 14.9164 15.5960 15.6140 15.8548 15.8550 16.8279 16.8418 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9219 -14.9219 -14.9018 -14.9018 -8.1901 -8.1901 -8.1462 -8.1462 -7.1777 -7.1777 -7.1388 -7.1388 -7.1315 -7.1315 5.4772 5.4772 8.4846 8.4846 10.4896 10.4896 10.5713 10.5713 11.4644 11.4644 11.5030 11.5030 11.5889 11.5889 13.3106 13.3106 13.3359 13.3359 14.9143 14.9143 15.6081 15.6081 15.8584 15.8584 16.8311 16.8311 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.0683 -48.0683 -22.5037 -22.5037 -14.9219 -14.9219 -14.9018 -14.9018 -8.1901 -8.1901 -8.1462 -8.1462 -7.1777 -7.1777 -7.1388 -7.1388 -7.1315 -7.1315 5.4772 5.4772 8.4846 8.4846 10.4896 10.4896 10.5713 10.5713 11.4644 11.4644 11.5030 11.5030 11.5889 11.5889 13.3106 13.3106 13.3359 13.3359 14.9143 14.9143 15.6081 15.6081 15.8584 15.8584 16.8311 16.8311 k = 0.4961 0.2864 0.2169 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9220 -14.9218 -14.9019 -14.9019 -8.1902 -8.1900 -8.1462 -8.1462 -7.1778 -7.1775 -7.1390 -7.1386 -7.1314 -7.1314 5.4744 5.4823 8.4825 8.4889 10.4887 10.4899 10.5711 10.5711 11.4632 11.4654 11.5033 11.5033 11.5886 11.5895 13.3083 13.3086 13.3340 13.3355 14.9029 14.9164 15.5960 15.6140 15.8548 15.8549 16.8279 16.8418 k = 0.4922 0.2842 0.2296 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5038 -22.5038 -14.9221 -14.9217 -14.9020 -14.9020 -8.1904 -8.1899 -8.1463 -8.1463 -7.1780 -7.1774 -7.1394 -7.1386 -7.1314 -7.1314 5.4738 5.4896 8.4827 8.4954 10.4874 10.4897 10.5708 10.5708 11.4620 11.4663 11.5045 11.5045 11.5889 11.5906 13.3001 13.3022 13.3318 13.3332 14.8825 14.9089 15.5781 15.6139 15.8442 15.8453 16.8325 16.8590 k = 0.4883 0.2819 0.2424 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9221 -14.9216 -14.9021 -14.9021 -8.1905 -8.1899 -8.1464 -8.1464 -7.1781 -7.1772 -7.1398 -7.1386 -7.1313 -7.1312 5.4753 5.4991 8.4851 8.5042 10.4852 10.4888 10.5706 10.5707 11.4608 11.4669 11.5064 11.5065 11.5898 11.5921 13.2844 13.2896 13.3309 13.3311 14.8531 14.8917 15.5554 15.6079 15.8272 15.8305 16.8446 16.8813 k = 0.4844 0.2797 0.2552 ( 2129 PWs) bands (ev): -48.0683 -48.0683 -22.5039 -22.5038 -14.9222 -14.9215 -14.9022 -14.9022 -8.1906 -8.1898 -8.1466 -8.1466 -7.1782 -7.1770 -7.1402 -7.1388 -7.1313 -7.1310 5.4791 5.5108 8.4897 8.5152 10.4818 10.4866 10.5709 10.5711 11.4597 11.4674 11.5091 11.5092 11.5914 11.5939 13.2616 13.2699 13.3297 13.3317 14.8149 14.8642 15.5291 15.5966 15.8054 15.8118 16.8633 16.9073 k = 0.4805 0.2774 0.2679 ( 2127 PWs) bands (ev): -48.0683 -48.0682 -22.5039 -22.5038 -14.9222 -14.9213 -14.9023 -14.9023 -8.1908 -8.1898 -8.1468 -8.1468 -7.1783 -7.1769 -7.1407 -7.1391 -7.1312 -7.1308 5.4850 5.5246 8.4966 8.5285 10.4767 10.4828 10.5721 10.5725 11.4587 11.4676 11.5125 11.5126 11.5938 11.5960 13.2327 13.2436 13.3295 13.3332 14.7681 14.8263 15.5007 15.5801 15.7807 15.7903 16.8872 16.9356 k = 0.4766 0.2751 0.2807 ( 2131 PWs) bands (ev): -48.0683 -48.0682 -22.5040 -22.5039 -14.9223 -14.9212 -14.9025 -14.9025 -8.1910 -8.1897 -8.1471 -8.1470 -7.1784 -7.1767 -7.1412 -7.1395 -7.1312 -7.1305 5.4930 5.5404 8.5058 8.5440 10.4694 10.4767 10.5746 10.5755 11.4578 11.4674 11.5164 11.5166 11.5969 11.5983 13.1983 13.2114 13.3301 13.3352 14.7133 14.7782 15.4713 15.5585 15.7555 15.7671 16.9145 16.9649 k = 0.4727 0.2729 0.2934 ( 2129 PWs) bands (ev): -48.0683 -48.0682 -22.5040 -22.5039 -14.9223 -14.9210 -14.9027 -14.9026 -8.1912 -8.1897 -8.1474 -8.1474 -7.1785 -7.1765 -7.1417 -7.1400 -7.1312 -7.1302 5.5030 5.5583 8.5172 8.5618 10.4596 10.4683 10.5787 10.5801 11.4571 11.4668 11.5211 11.5212 11.6009 11.6010 13.1592 13.1739 13.3313 13.3377 14.6511 14.7205 15.4417 15.5316 15.7320 15.7432 16.9438 16.9941 k = 0.4688 0.2706 0.3062 ( 2131 PWs) bands (ev): -48.0683 -48.0682 -22.5041 -22.5039 -14.9223 -14.9209 -14.9030 -14.9029 -8.1914 -8.1897 -8.1478 -8.1477 -7.1786 -7.1764 -7.1422 -7.1406 -7.1312 -7.1298 5.5149 5.5781 8.5309 8.5819 10.4472 10.4573 10.5845 10.5866 11.4565 11.4658 11.5262 11.5265 11.6037 11.6060 13.1160 13.1317 13.3330 13.3406 14.5826 14.6543 15.4121 15.4996 15.7118 15.7197 16.9734 17.0224 k = 0.4648 0.2684 0.3189 ( 2131 PWs) bands (ev): -48.0682 -48.0682 -22.5041 -22.5039 -14.9223 -14.9207 -14.9032 -14.9031 -8.1916 -8.1897 -8.1482 -8.1481 -7.1787 -7.1762 -7.1427 -7.1412 -7.1312 -7.1295 5.5287 5.5996 8.5470 8.6042 10.4322 10.4439 10.5919 10.5948 11.4561 11.4642 11.5319 11.5323 11.6067 11.6120 13.0691 13.0853 13.3350 13.3437 14.5089 14.5809 15.3823 15.4629 15.6955 15.6974 17.0020 17.0489 k = 0.4609 0.2661 0.3317 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5042 -22.5040 -14.9223 -14.9205 -14.9035 -14.9034 -8.1918 -8.1897 -8.1487 -8.1485 -7.1788 -7.1760 -7.1433 -7.1418 -7.1313 -7.1292 5.5443 5.6229 8.5653 8.6288 10.4146 10.4282 10.6009 10.6045 11.4558 11.4619 11.5380 11.5388 11.6098 11.6189 13.0190 13.0352 13.3374 13.3472 14.4312 14.5019 15.3521 15.4225 15.6770 15.6832 17.0284 17.0729 k = 0.4570 0.2639 0.3445 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5041 -14.9223 -14.9203 -14.9039 -14.9037 -8.1921 -8.1897 -8.1492 -8.1489 -7.1788 -7.1758 -7.1438 -7.1425 -7.1314 -7.1288 5.5615 5.6478 8.5860 8.6557 10.3947 10.4104 10.6112 10.6157 11.4556 11.4589 11.5445 11.5459 11.6131 11.6267 12.9661 12.9817 13.3401 13.3508 14.3508 14.4188 15.3210 15.3796 15.6591 15.6744 17.0518 17.0938 k = 0.4531 0.2616 0.3572 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5043 -22.5041 -14.9223 -14.9201 -14.9042 -14.9039 -8.1923 -8.1898 -8.1497 -8.1494 -7.1789 -7.1757 -7.1442 -7.1432 -7.1315 -7.1285 5.5803 5.6741 8.6090 8.6849 10.3725 10.3905 10.6228 10.6282 11.4551 11.4554 11.5515 11.5535 11.6166 11.6355 12.9110 12.9254 13.3431 13.3547 14.2689 14.3333 15.2890 15.3352 15.6438 15.6686 17.0713 17.1113 k = 0.4492 0.2594 0.3700 ( 2131 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5041 -14.9223 -14.9199 -14.9045 -14.9042 -8.1925 -8.1898 -8.1503 -8.1499 -7.1790 -7.1755 -7.1447 -7.1440 -7.1317 -7.1282 5.6005 5.7018 8.6344 8.7163 10.3481 10.3688 10.6356 10.6419 11.4504 11.4551 11.5587 11.5616 11.6202 11.6452 12.8538 12.8665 13.3463 13.3587 14.1869 14.2466 15.2560 15.2901 15.6314 15.6652 17.0863 17.1248 k = 0.4453 0.2571 0.3827 ( 2132 PWs) bands (ev): -48.0682 -48.0682 -22.5044 -22.5042 -14.9223 -14.9197 -14.9049 -14.9044 -8.1928 -8.1899 -8.1509 -8.1504 -7.1790 -7.1753 -7.1451 -7.1448 -7.1319 -7.1280 5.6219 5.7305 8.6621 8.7499 10.3216 10.3452 10.6495 10.6566 11.4448 11.4546 11.5662 11.5703 11.6239 11.6557 12.7949 12.8053 13.3497 13.3627 14.1056 14.1601 15.2225 15.2451 15.6215 15.6639 17.0965 17.1342 k = 0.4414 0.2548 0.3955 ( 2134 PWs) bands (ev): -48.0682 -48.0682 -22.5045 -22.5043 -14.9224 -14.9195 -14.9053 -14.9047 -8.1930 -8.1899 -8.1515 -8.1509 -7.1791 -7.1752 -7.1455 -7.1455 -7.1321 -7.1277 5.6445 5.7602 8.6922 8.7857 10.2931 10.3201 10.6643 10.6724 11.4381 11.4536 11.5738 11.5792 11.6278 11.6669 12.7348 12.7423 13.3532 13.3667 14.0262 14.0748 15.1887 15.2007 15.6140 15.6642 17.1016 17.1390 k = 0.4375 0.2526 0.4082 ( 2135 PWs) bands (ev): -48.0682 -48.0682 -22.5046 -22.5043 -14.9224 -14.9193 -14.9057 -14.9050 -8.1932 -8.1900 -8.1522 -8.1514 -7.1792 -7.1751 -7.1463 -7.1459 -7.1324 -7.1275 5.6680 5.7907 8.7247 8.8236 10.2628 10.2934 10.6800 10.6890 11.4303 11.4521 11.5814 11.5885 11.6318 11.6789 12.6736 12.6778 13.3567 13.3706 13.9495 13.9918 15.1551 15.1575 15.6084 15.6659 17.1015 17.1393 k = 0.4336 0.2503 0.4210 ( 2133 PWs) bands (ev): -48.0682 -48.0681 -22.5047 -22.5044 -14.9224 -14.9191 -14.9060 -14.9052 -8.1934 -8.1901 -8.1529 -8.1520 -7.1792 -7.1749 -7.1471 -7.1462 -7.1326 -7.1273 5.6922 5.8217 8.7594 8.8635 10.2307 10.2654 10.6965 10.7065 11.4213 11.4498 11.5891 11.5979 11.6360 11.6915 12.6120 12.6124 13.3601 13.3743 13.8761 13.9118 15.1159 15.1223 15.6045 15.6686 17.0961 17.1349 k = 0.4297 0.2481 0.4338 ( 2137 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9225 -14.9190 -14.9064 -14.9055 -8.1936 -8.1901 -8.1536 -8.1525 -7.1793 -7.1748 -7.1478 -7.1465 -7.1329 -7.1271 5.7171 5.8531 8.7964 8.9053 10.1969 10.2363 10.7137 10.7248 11.4110 11.4464 11.5965 11.6073 11.6403 11.7047 12.5465 12.5503 13.3632 13.3775 13.8066 13.8356 15.0764 15.0908 15.6019 15.6720 17.0856 17.1258 k = 0.4258 0.2458 0.4465 ( 2137 PWs) bands (ev): -48.0682 -48.0681 -22.5048 -22.5045 -14.9225 -14.9189 -14.9067 -14.9057 -8.1938 -8.1902 -8.1543 -8.1530 -7.1793 -7.1747 -7.1486 -7.1467 -7.1332 -7.1270 5.7424 5.8846 8.8355 8.9486 10.1617 10.2062 10.7317 10.7437 11.3993 11.4417 11.6037 11.6166 11.6450 11.7185 12.4809 12.4891 13.3660 13.3802 13.7414 13.7636 15.0394 15.0609 15.6002 15.6760 17.0702 17.1121 k = 0.4219 0.2436 0.4593 ( 2139 PWs) bands (ev): -48.0681 -48.0681 -22.5049 -22.5046 -14.9226 -14.9188 -14.9070 -14.9060 -8.1940 -8.1903 -8.1550 -8.1535 -7.1794 -7.1746 -7.1493 -7.1469 -7.1335 -7.1269 5.7678 5.9159 8.8767 8.9934 10.1252 10.1754 10.7502 10.7633 11.3861 11.4354 11.6105 11.6257 11.6499 11.7328 12.4163 12.4292 13.3682 13.3822 13.6807 13.6963 15.0052 15.0333 15.5991 15.6803 17.0504 17.0939 k = 0.4180 0.2413 0.4720 ( 2136 PWs) bands (ev): -48.0681 -48.0681 -22.5050 -22.5047 -14.9227 -14.9187 -14.9072 -14.9061 -8.1941 -8.1904 -8.1558 -8.1540 -7.1795 -7.1745 -7.1500 -7.1471 -7.1338 -7.1268 5.7933 5.9469 8.9196 9.0392 10.0876 10.1443 10.7693 10.7835 11.3713 11.4272 11.6168 11.6343 11.6550 11.7475 12.3534 12.3713 13.3696 13.3831 13.6246 13.6339 14.9743 15.0084 15.5983 15.6846 17.0265 17.0716 k = 0.4141 0.2391 0.4848 ( 2144 PWs) bands (ev): -48.0681 -48.0681 -22.5051 -22.5048 -14.9229 -14.9187 -14.9075 -14.9063 -8.1943 -8.1905 -8.1566 -8.1544 -7.1795 -7.1745 -7.1507 -7.1472 -7.1341 -7.1268 5.8185 5.9771 8.9641 9.0855 10.0492 10.1133 10.7889 10.8041 11.3549 11.4167 11.6223 11.6424 11.6604 11.7623 12.2931 12.3163 13.3698 13.3826 13.5731 13.5766 14.9470 14.9866 15.5976 15.6886 16.9992 17.0452 k = 0.4102 0.2368 0.4976 ( 2142 PWs) bands (ev): -48.0681 -48.0681 -22.5052 -22.5049 -14.9230 -14.9187 -14.9077 -14.9064 -8.1943 -8.1906 -8.1573 -8.1549 -7.1796 -7.1744 -7.1513 -7.1473 -7.1344 -7.1268 5.8433 6.0065 9.0097 9.1317 10.0105 10.0831 10.8089 10.8252 11.3370 11.4039 11.6273 11.6497 11.6660 11.7774 12.2363 12.2650 13.3687 13.3804 13.5247 13.5263 14.9237 14.9683 15.5967 15.6921 16.9692 17.0153 k = 0.4062 0.2345 0.5103 ( 2142 PWs) bands (ev): -48.0681 -48.0681 -22.5052 -22.5049 -14.9232 -14.9188 -14.9079 -14.9065 -8.1944 -8.1907 -8.1581 -8.1552 -7.1797 -7.1744 -7.1519 -7.1473 -7.1347 -7.1268 5.8674 6.0346 9.0558 9.1767 9.9722 10.0545 10.8293 10.8467 11.3177 11.3887 11.6317 11.6563 11.6716 11.7924 12.1837 12.2182 13.3657 13.3757 13.4784 13.4842 14.9047 14.9538 15.5952 15.6947 16.9373 16.9820 k = 0.4023 0.2323 0.5231 ( 2141 PWs) bands (ev): -48.0681 -48.0681 -22.5053 -22.5050 -14.9233 -14.9188 -14.9079 -14.9066 -8.1944 -8.1908 -8.1589 -8.1556 -7.1797 -7.1743 -7.1524 -7.1473 -7.1350 -7.1268 5.8905 6.0611 9.1015 9.2193 9.9350 10.0287 10.8501 10.8685 11.2971 11.3712 11.6354 11.6618 11.6771 11.8070 12.1361 12.1764 13.3601 13.3673 13.4387 13.4469 14.8903 14.9436 15.5930 15.6961 16.9042 16.9458 k = 0.3984 0.2300 0.5358 ( 2143 PWs) bands (ev): -48.0681 -48.0681 -22.5054 -22.5050 -14.9235 -14.9190 -14.9080 -14.9066 -8.1943 -8.1909 -8.1597 -8.1559 -7.1798 -7.1743 -7.1529 -7.1473 -7.1353 -7.1269 5.9124 6.0859 9.1456 9.2579 9.9004 10.0073 10.8711 10.8905 11.2757 11.3517 11.6385 11.6663 11.6823 11.8208 12.0942 12.1402 13.3512 13.3527 13.4073 13.4149 14.8809 14.9377 15.5898 15.6959 16.8709 16.9070 k = 0.3945 0.2278 0.5486 ( 2144 PWs) bands (ev): -48.0681 -48.0680 -22.5054 -22.5051 -14.9237 -14.9192 -14.9080 -14.9066 -8.1942 -8.1911 -8.1605 -8.1562 -7.1799 -7.1743 -7.1533 -7.1472 -7.1356 -7.1269 5.9328 6.1085 9.1862 9.2901 9.8701 9.9925 10.8924 10.9127 11.2539 11.3309 11.6411 11.6696 11.6871 11.8332 12.0589 12.1096 13.3309 13.3375 13.3851 13.3888 14.8767 14.9365 15.5856 15.6938 16.8380 16.8659 k = 0.3906 0.2255 0.5613 ( 2140 PWs) bands (ev): -48.0681 -48.0680 -22.5054 -22.5051 -14.9238 -14.9194 -14.9079 -14.9066 -8.1941 -8.1912 -8.1612 -8.1565 -7.1799 -7.1743 -7.1537 -7.1471 -7.1358 -7.1271 5.9516 6.1286 9.2208 9.3139 9.8468 9.9863 10.9139 10.9351 11.2324 11.3095 11.6432 11.6717 11.6913 11.8432 12.0309 12.0846 13.3052 13.3191 13.3681 13.3682 14.8778 14.9401 15.5801 15.6896 16.8063 16.8226 k = 0.3867 0.2233 0.5741 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5051 -14.9240 -14.9196 -14.9078 -14.9065 -8.1939 -8.1912 -8.1620 -8.1567 -7.1800 -7.1744 -7.1540 -7.1470 -7.1360 -7.1272 5.9682 6.1460 9.2465 9.3270 9.8335 9.9908 10.9355 10.9575 11.2117 11.2884 11.6448 11.6725 11.6949 11.8497 12.0114 12.0650 13.2794 13.2979 13.3507 13.3521 14.8845 14.9484 15.5734 15.6831 16.7761 16.7777 k = 0.3828 0.2210 0.5869 ( 2139 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5051 -14.9242 -14.9198 -14.9077 -14.9065 -8.1936 -8.1913 -8.1627 -8.1568 -7.1800 -7.1744 -7.1543 -7.1468 -7.1362 -7.1273 5.9826 6.1602 9.2603 9.3284 9.8333 10.0071 10.9572 10.9798 11.1927 11.2687 11.6459 11.6720 11.6979 11.8515 12.0010 12.0503 13.2550 13.2760 13.3337 13.3352 14.8966 14.9614 15.5657 15.6741 16.7313 16.7475 k = 0.3789 0.2188 0.5996 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9244 -14.9201 -14.9075 -14.9064 -8.1933 -8.1914 -8.1635 -8.1569 -7.1801 -7.1745 -7.1545 -7.1467 -7.1363 -7.1275 5.9944 6.1711 9.2607 9.3183 9.8478 10.0347 10.9790 11.0020 11.1760 11.2515 11.6465 11.6704 11.7001 11.8486 11.9994 12.0400 13.2323 13.2543 13.3159 13.3166 14.9142 14.9790 15.5571 15.6627 16.6838 16.7200 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.0681 -48.0680 -22.5055 -22.5052 -14.9245 -14.9204 -14.9073 -14.9063 -8.1929 -8.1914 -8.1642 -8.1570 -7.1801 -7.1745 -7.1546 -7.1465 -7.1363 -7.1277 6.0034 6.1782 9.2483 9.2983 9.8767 10.0723 11.0008 11.0239 11.1622 11.2378 11.6466 11.6677 11.7016 11.8423 12.0047 12.0336 13.2113 13.2329 13.2961 13.2968 14.9370 15.0007 15.5483 15.6493 16.6357 16.6924 k = 0.6184-0.0836 0.4082 ( 2143 PWs) bands (ev): -48.0681 -48.0680 -22.5056 -22.5053 -14.9248 -14.9208 -14.9070 -14.9061 -8.1922 -8.1915 -8.1654 -8.1571 -7.1801 -7.1746 -7.1548 -7.1463 -7.1364 -7.1280 6.0150 6.1856 9.2157 9.2570 9.9402 10.1445 11.0378 11.0599 11.1421 11.2189 11.6464 11.6619 11.7030 11.8300 12.0194 12.0272 13.1778 13.1974 13.2603 13.2642 14.9790 15.0392 15.5353 15.6264 16.5550 16.6392 k = 0.6118-0.0950 0.4082 ( 2143 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9251 -14.9213 -14.9067 -14.9059 -8.1915 -8.1914 -8.1665 -8.1572 -7.1802 -7.1748 -7.1548 -7.1460 -7.1365 -7.1283 6.0251 6.1906 9.1804 9.2155 10.0099 10.2192 11.0750 11.0931 11.1229 11.2033 11.6463 11.6548 11.7032 11.8187 12.0240 12.0359 13.1458 13.1627 13.2255 13.2328 15.0192 15.0745 15.5264 15.6065 16.4758 16.5782 k = 0.6053-0.1064 0.4082 ( 2143 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9253 -14.9217 -14.9064 -14.9057 -8.1915 -8.1905 -8.1677 -8.1575 -7.1802 -7.1749 -7.1548 -7.1458 -7.1366 -7.1286 6.0339 6.1936 9.1440 9.1744 10.0836 10.2950 11.1034 11.1135 11.1173 11.1971 11.6463 11.6463 11.7019 11.8089 12.0246 12.0540 13.1147 13.1285 13.1919 13.2026 15.0576 15.1066 15.5220 15.5896 16.3985 16.5135 k = 0.5987-0.1177 0.4082 ( 2143 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9255 -14.9222 -14.9060 -14.9054 -8.1914 -8.1896 -8.1688 -8.1577 -7.1802 -7.1751 -7.1548 -7.1455 -7.1367 -7.1289 6.0416 6.1946 9.1076 9.1344 10.1597 10.3708 11.0870 11.1220 11.1499 11.2109 11.6363 11.6462 11.6992 11.8009 12.0295 12.0738 13.0838 13.0945 13.1595 13.1735 15.0943 15.1356 15.5222 15.5760 16.3235 16.4481 k = 0.5921-0.1291 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5053 -14.9257 -14.9226 -14.9057 -14.9052 -8.1913 -8.1886 -8.1699 -8.1581 -7.1802 -7.1753 -7.1546 -7.1453 -7.1368 -7.1292 6.0484 6.1941 9.0719 9.0958 10.2369 10.4455 11.0711 11.1118 11.1868 11.2397 11.6251 11.6459 11.6953 11.7948 12.0391 12.0953 13.0529 13.0605 13.1286 13.1454 15.1293 15.1617 15.5269 15.5657 16.2512 16.3834 k = 0.5855-0.1405 0.4082 ( 2143 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9260 -14.9230 -14.9054 -14.9050 -8.1911 -8.1876 -8.1709 -8.1585 -7.1802 -7.1756 -7.1544 -7.1451 -7.1369 -7.1295 6.0545 6.1922 9.0375 9.0589 10.3138 10.5181 11.0565 11.0967 11.2230 11.2733 11.6127 11.6449 11.6909 11.7907 12.0535 12.1186 13.0216 13.0266 13.0990 13.1179 15.1628 15.1854 15.5360 15.5590 16.1816 16.3204 k = 0.5789-0.1519 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9261 -14.9234 -14.9050 -14.9047 -8.1909 -8.1866 -8.1719 -8.1589 -7.1802 -7.1758 -7.1541 -7.1449 -7.1369 -7.1298 6.0599 6.1892 9.0047 9.0240 10.3896 10.5878 11.0434 11.0806 11.2583 11.3078 11.5995 11.6423 11.6873 11.7884 12.0729 12.1438 12.9900 12.9928 13.0705 13.0908 15.1947 15.2074 15.5490 15.5558 16.1149 16.2594 k = 0.5724-0.1633 0.4082 ( 2133 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5053 -14.9263 -14.9238 -14.9047 -14.9044 -8.1907 -8.1856 -8.1728 -8.1594 -7.1802 -7.1761 -7.1537 -7.1448 -7.1369 -7.1302 6.0649 6.1852 8.9738 8.9912 10.4633 10.6536 11.0320 11.0647 11.2924 11.3414 11.5859 11.6373 11.6858 11.7878 12.0972 12.1709 12.9582 12.9593 13.0429 13.0637 15.2252 15.2284 15.5564 15.5653 16.0513 16.2007 k = 0.5658-0.1747 0.4082 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9265 -14.9242 -14.9044 -14.9043 -8.1904 -8.1847 -8.1736 -8.1600 -7.1802 -7.1764 -7.1533 -7.1447 -7.1369 -7.1305 6.0696 6.1803 8.9451 8.9607 10.5339 10.7147 11.0223 11.0495 11.3248 11.3731 11.5720 11.6294 11.6874 11.7885 12.1260 12.1998 12.9264 12.9264 13.0157 13.0365 15.2493 15.2545 15.5605 15.5841 15.9908 16.1443 k = 0.5592-0.1861 0.4082 ( 2141 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9266 -14.9246 -14.9042 -14.9040 -8.1901 -8.1838 -8.1742 -8.1607 -7.1801 -7.1767 -7.1528 -7.1447 -7.1369 -7.1309 6.0741 6.1749 8.9187 8.9327 10.6006 10.7707 11.0145 11.0353 11.3554 11.4021 11.5585 11.6192 11.6921 11.7905 12.1592 12.2306 12.8941 12.8950 12.9887 13.0089 15.2710 15.2828 15.5683 15.6050 15.9336 16.0902 k = 0.5526-0.1975 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9267 -14.9249 -14.9039 -14.9038 -8.1897 -8.1832 -8.1746 -8.1614 -7.1801 -7.1770 -7.1523 -7.1448 -7.1368 -7.1313 6.0785 6.1690 8.8949 8.9073 10.6624 10.8206 11.0088 11.0226 11.3837 11.4276 11.5455 11.6075 11.6999 11.7936 12.1960 12.2631 12.8628 12.8643 12.9618 12.9808 15.2941 15.3102 15.5796 15.6272 15.8799 16.0386 k = 0.5461-0.2089 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9268 -14.9252 -14.9037 -14.9036 -8.1893 -8.1828 -8.1747 -8.1622 -7.1800 -7.1772 -7.1518 -7.1449 -7.1366 -7.1316 6.0829 6.1628 8.8737 8.8846 10.7184 10.8638 11.0053 11.0116 11.4095 11.4491 11.5335 11.5950 11.7104 11.7973 12.2359 12.2970 12.8328 12.8346 12.9349 12.9523 15.3193 15.3370 15.5938 15.6499 15.8302 15.9896 k = 0.5395-0.2203 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5056 -22.5054 -14.9269 -14.9255 -14.9035 -14.9035 -8.1889 -8.1827 -8.1744 -8.1630 -7.1799 -7.1775 -7.1513 -7.1452 -7.1364 -7.1320 6.0873 6.1564 8.8553 8.8646 10.7679 10.8992 11.0034 11.0043 11.4326 11.4660 11.5227 11.5825 11.7231 11.8012 12.2780 12.3319 12.8043 12.8062 12.9083 12.9236 15.3468 15.3635 15.6100 15.6713 15.7860 15.9438 k = 0.5329-0.2317 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5054 -14.9270 -14.9258 -14.9034 -14.9033 -8.1884 -8.1829 -8.1739 -8.1639 -7.1798 -7.1778 -7.1507 -7.1455 -7.1362 -7.1324 6.0919 6.1498 8.8397 8.8474 10.8100 10.9244 11.0002 11.0060 11.4525 11.4782 11.5138 11.5704 11.7373 11.8050 12.3211 12.3671 12.7774 12.7793 12.8824 12.8953 15.3769 15.3899 15.6262 15.6837 15.7550 15.9030 k = 0.5263-0.2431 0.4082 ( 2139 PWs) bands (ev): -48.0680 -48.0680 -22.5055 -22.5055 -14.9270 -14.9261 -14.9032 -14.9032 -8.1879 -8.1833 -8.1731 -8.1648 -7.1797 -7.1781 -7.1501 -7.1458 -7.1359 -7.1328 6.0967 6.1433 8.8269 8.8331 10.8443 10.9367 11.0043 11.0103 11.4689 11.4861 11.5074 11.5592 11.7523 11.8080 12.3640 12.4015 12.7523 12.7540 12.8583 12.8684 15.4097 15.4166 15.6385 15.6688 15.7551 15.8705 k = 0.5197-0.2545 0.4082 ( 2133 PWs) bands (ev): -48.0680 -48.0680 -22.5054 -22.5054 -14.9269 -14.9262 -14.9031 -14.9031 -8.1874 -8.1838 -8.1721 -8.1658 -7.1795 -7.1783 -7.1495 -7.1463 -7.1355 -7.1332 6.1017 6.1368 8.8172 8.8218 10.8710 10.9380 11.0139 11.0166 11.4804 11.4900 11.5054 11.5494 11.7669 11.8095 12.4048 12.4336 12.7292 12.7306 12.8371 12.8444 15.4438 15.4449 15.6367 15.6404 15.7765 15.8526 k = 0.5132-0.2659 0.4082 ( 2120 PWs) bands (ev): -48.0680 -48.0680 -22.5053 -22.5052 -14.9267 -14.9263 -14.9029 -14.9029 -8.1868 -8.1843 -8.1711 -8.1668 -7.1794 -7.1786 -7.1489 -7.1467 -7.1352 -7.1336 6.1069 6.1304 8.8104 8.8135 10.8909 10.9335 11.0235 11.0235 11.4855 11.4909 11.5096 11.5408 11.7803 11.8091 12.4409 12.4607 12.7089 12.7102 12.8206 12.8251 15.4718 15.4818 15.6026 15.6268 15.8038 15.8532 k = 0.5066-0.2773 0.4082 ( 2112 PWs) bands (ev): -48.0680 -48.0680 -22.5052 -22.5051 -14.9266 -14.9264 -14.9028 -14.9028 -8.1862 -8.1850 -8.1700 -8.1679 -7.1792 -7.1788 -7.1483 -7.1472 -7.1348 -7.1340 6.1124 6.1242 8.8066 8.8082 10.9058 10.9264 11.0290 11.0297 11.4870 11.4898 11.5173 11.5330 11.7917 11.8062 12.4683 12.4786 12.6940 12.6949 12.8102 12.8124 15.5004 15.5177 15.5716 15.5998 15.8329 15.8643 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.0680 -48.0680 -22.5050 -22.5050 -14.9264 -14.9264 -14.9027 -14.9027 -8.1856 -8.1856 -8.1690 -8.1690 -7.1790 -7.1790 -7.1478 -7.1478 -7.1344 -7.1344 6.1182 6.1182 8.8059 8.8059 10.9173 10.9173 11.0316 11.0316 11.4883 11.4883 11.5254 11.5254 11.8004 11.8004 12.4819 12.4819 12.6886 12.6886 12.8073 12.8073 15.5268 15.5268 15.5687 15.5687 15.8586 15.8586 Writing output data file HfNiSn.save init_run : 1.00s CPU 0.59s WALL ( 1 calls) electrons : 220.82s CPU 131.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 220.81s CPU 131.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.20s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.28s WALL ( 346 calls) cegterg : 200.32s CPU 118.77s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 105.47s CPU 63.38s WALL ( 6994 calls) s_psi : 7.10s CPU 3.84s WALL ( 6994 calls) g_psi : 0.16s CPU 0.10s WALL ( 6243 calls) cdiaghg : 87.70s CPU 51.72s WALL ( 6589 calls) cegterg:over : 7.22s CPU 3.91s WALL ( 6243 calls) cegterg:upda : 4.18s CPU 2.52s WALL ( 6243 calls) cegterg:last : 2.56s CPU 1.49s WALL ( 1097 calls) cdiaghg:chol : 4.46s CPU 2.65s WALL ( 6589 calls) cdiaghg:inve : 2.57s CPU 1.52s WALL ( 6589 calls) cdiaghg:para : 4.55s CPU 2.75s WALL ( 13178 calls) Called by h_psi: h_psi:vloc : 90.57s CPU 54.92s WALL ( 6994 calls) h_psi:vnl : 14.70s CPU 8.36s WALL ( 6994 calls) add_vuspsi : 9.39s CPU 5.24s WALL ( 6994 calls) General routines calbec : 5.25s CPU 3.09s WALL ( 6994 calls) fft : 0.07s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 85.64s CPU 52.07s WALL ( 636052 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 0.36s WALL ( 692 calls) Parallel routines fft_scatter : 41.54s CPU 24.82s WALL ( 636075 calls) PWSCF : 3m53.27s CPU 2m34.60s WALL This run was terminated on: 4: 3:32 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=