Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:13 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: ./MnGaPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized file Ga.rel-pbe-dnl-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 56 41 11 1657 1046 158 Max 57 42 12 1660 1073 162 Sum 2017 1495 421 59679 38013 5769 bravais-lattice index = 14 lattice parameter (alat) = 8.2179 a.u. unit-cell volume = 392.4297 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.217864 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Mn 15.00 54.93800 Mn( 1.00) Pt 10.00 195.08400 Pt( 1.00) Ga 13.00 69.72300 Ga( 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 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288462 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 0.0961539 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 0.1538462 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954545), 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 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184211 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: 59679 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38013 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 262, 46) NL pseudopotentials 0.20 Mb ( 131, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1659) G-vector shells 0.00 Mb ( 435) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 262, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.14 Mb ( 102, 2, 46) The potential is recalculated from file : ./MnGaPt.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 3.0 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 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.1 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.1 secs Computing kpt #: 27 total cpu time spent up to now is 16.5 secs Computing kpt #: 28 total cpu time spent up to now is 17.1 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.9 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.3 secs Computing kpt #: 36 total cpu time spent up to now is 20.8 secs Computing kpt #: 37 total cpu time spent up to now is 21.3 secs Computing kpt #: 38 total cpu time spent up to now is 21.7 secs Computing kpt #: 39 total cpu time spent up to now is 22.2 secs Computing kpt #: 40 total cpu time spent up to now is 22.7 secs Computing kpt #: 41 total cpu time spent up to now is 23.1 secs Computing kpt #: 42 total cpu time spent up to now is 23.5 secs Computing kpt #: 43 total cpu time spent up to now is 24.0 secs Computing kpt #: 44 total cpu time spent up to now is 24.5 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.3 secs Computing kpt #: 47 total cpu time spent up to now is 25.7 secs Computing kpt #: 48 total cpu time spent up to now is 26.2 secs Computing kpt #: 49 total cpu time spent up to now is 26.7 secs Computing kpt #: 50 total cpu time spent up to now is 27.1 secs Computing kpt #: 51 total cpu time spent up to now is 27.5 secs Computing kpt #: 52 total cpu time spent up to now is 27.9 secs Computing kpt #: 53 total cpu time spent up to now is 28.4 secs Computing kpt #: 54 total cpu time spent up to now is 28.9 secs Computing kpt #: 55 total cpu time spent up to now is 29.3 secs Computing kpt #: 56 total cpu time spent up to now is 29.8 secs Computing kpt #: 57 total cpu time spent up to now is 30.3 secs Computing kpt #: 58 total cpu time spent up to now is 30.7 secs Computing kpt #: 59 total cpu time spent up to now is 31.1 secs Computing kpt #: 60 total cpu time spent up to now is 31.6 secs Computing kpt #: 61 total cpu time spent up to now is 32.1 secs Computing kpt #: 62 total cpu time spent up to now is 32.5 secs Computing kpt #: 63 total cpu time spent up to now is 33.0 secs Computing kpt #: 64 total cpu time spent up to now is 33.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.9 secs Computing kpt #: 66 total cpu time spent up to now is 34.3 secs Computing kpt #: 67 total cpu time spent up to now is 34.8 secs Computing kpt #: 68 total cpu time spent up to now is 35.2 secs Computing kpt #: 69 total cpu time spent up to now is 35.7 secs Computing kpt #: 70 total cpu time spent up to now is 36.1 secs Computing kpt #: 71 total cpu time spent up to now is 36.8 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.7 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.5 secs Computing kpt #: 76 total cpu time spent up to now is 38.9 secs Computing kpt #: 77 total cpu time spent up to now is 39.3 secs Computing kpt #: 78 total cpu time spent up to now is 40.0 secs Computing kpt #: 79 total cpu time spent up to now is 40.5 secs Computing kpt #: 80 total cpu time spent up to now is 40.9 secs Computing kpt #: 81 total cpu time spent up to now is 41.3 secs Computing kpt #: 82 total cpu time spent up to now is 41.7 secs Computing kpt #: 83 total cpu time spent up to now is 42.1 secs Computing kpt #: 84 total cpu time spent up to now is 42.6 secs Computing kpt #: 85 total cpu time spent up to now is 43.0 secs Computing kpt #: 86 total cpu time spent up to now is 43.4 secs Computing kpt #: 87 total cpu time spent up to now is 43.9 secs Computing kpt #: 88 total cpu time spent up to now is 44.3 secs Computing kpt #: 89 total cpu time spent up to now is 44.7 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.6 secs Computing kpt #: 92 total cpu time spent up to now is 46.0 secs Computing kpt #: 93 total cpu time spent up to now is 46.5 secs Computing kpt #: 94 total cpu time spent up to now is 46.9 secs Computing kpt #: 95 total cpu time spent up to now is 47.3 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 48.2 secs Computing kpt #: 98 total cpu time spent up to now is 48.7 secs Computing kpt #: 99 total cpu time spent up to now is 49.1 secs Computing kpt #: 100 total cpu time spent up to now is 49.6 secs Computing kpt #: 101 total cpu time spent up to now is 50.1 secs Computing kpt #: 102 total cpu time spent up to now is 50.5 secs Computing kpt #: 103 total cpu time spent up to now is 50.9 secs Computing kpt #: 104 total cpu time spent up to now is 51.4 secs Computing kpt #: 105 total cpu time spent up to now is 51.9 secs Computing kpt #: 106 total cpu time spent up to now is 52.3 secs Computing kpt #: 107 total cpu time spent up to now is 52.7 secs Computing kpt #: 108 total cpu time spent up to now is 53.2 secs Computing kpt #: 109 total cpu time spent up to now is 53.6 secs Computing kpt #: 110 total cpu time spent up to now is 54.1 secs Computing kpt #: 111 total cpu time spent up to now is 54.5 secs Computing kpt #: 112 total cpu time spent up to now is 55.0 secs Computing kpt #: 113 total cpu time spent up to now is 55.5 secs Computing kpt #: 114 total cpu time spent up to now is 55.9 secs Computing kpt #: 115 total cpu time spent up to now is 56.4 secs Computing kpt #: 116 total cpu time spent up to now is 56.9 secs Computing kpt #: 117 total cpu time spent up to now is 57.4 secs Computing kpt #: 118 total cpu time spent up to now is 57.8 secs Computing kpt #: 119 total cpu time spent up to now is 58.3 secs Computing kpt #: 120 total cpu time spent up to now is 58.7 secs Computing kpt #: 121 total cpu time spent up to now is 59.2 secs Computing kpt #: 122 total cpu time spent up to now is 59.7 secs Computing kpt #: 123 total cpu time spent up to now is 60.2 secs Computing kpt #: 124 total cpu time spent up to now is 60.7 secs Computing kpt #: 125 total cpu time spent up to now is 61.1 secs Computing kpt #: 126 total cpu time spent up to now is 61.6 secs Computing kpt #: 127 total cpu time spent up to now is 62.1 secs Computing kpt #: 128 total cpu time spent up to now is 62.5 secs Computing kpt #: 129 total cpu time spent up to now is 63.0 secs Computing kpt #: 130 total cpu time spent up to now is 63.5 secs Computing kpt #: 131 total cpu time spent up to now is 64.0 secs Computing kpt #: 132 total cpu time spent up to now is 64.6 secs Computing kpt #: 133 total cpu time spent up to now is 65.1 secs Computing kpt #: 134 total cpu time spent up to now is 65.7 secs Computing kpt #: 135 total cpu time spent up to now is 66.2 secs Computing kpt #: 136 total cpu time spent up to now is 66.8 secs Computing kpt #: 137 total cpu time spent up to now is 67.4 secs Computing kpt #: 138 total cpu time spent up to now is 67.9 secs Computing kpt #: 139 total cpu time spent up to now is 68.5 secs Computing kpt #: 140 total cpu time spent up to now is 69.1 secs Computing kpt #: 141 total cpu time spent up to now is 69.6 secs Computing kpt #: 142 total cpu time spent up to now is 70.2 secs Computing kpt #: 143 total cpu time spent up to now is 70.8 secs Computing kpt #: 144 total cpu time spent up to now is 71.4 secs Computing kpt #: 145 total cpu time spent up to now is 71.9 secs Computing kpt #: 146 total cpu time spent up to now is 72.5 secs Computing kpt #: 147 total cpu time spent up to now is 73.1 secs Computing kpt #: 148 total cpu time spent up to now is 73.6 secs Computing kpt #: 149 total cpu time spent up to now is 74.2 secs Computing kpt #: 150 total cpu time spent up to now is 74.7 secs Computing kpt #: 151 total cpu time spent up to now is 75.3 secs Computing kpt #: 152 total cpu time spent up to now is 75.9 secs Computing kpt #: 153 total cpu time spent up to now is 76.5 secs Computing kpt #: 154 total cpu time spent up to now is 77.1 secs Computing kpt #: 155 total cpu time spent up to now is 77.7 secs Computing kpt #: 156 total cpu time spent up to now is 78.2 secs Computing kpt #: 157 total cpu time spent up to now is 78.8 secs Computing kpt #: 158 total cpu time spent up to now is 79.4 secs Computing kpt #: 159 total cpu time spent up to now is 80.0 secs Computing kpt #: 160 total cpu time spent up to now is 80.7 secs Computing kpt #: 161 total cpu time spent up to now is 81.2 secs Computing kpt #: 162 total cpu time spent up to now is 81.8 secs Computing kpt #: 163 total cpu time spent up to now is 82.4 secs Computing kpt #: 164 total cpu time spent up to now is 83.0 secs Computing kpt #: 165 total cpu time spent up to now is 83.6 secs Computing kpt #: 166 total cpu time spent up to now is 84.1 secs Computing kpt #: 167 total cpu time spent up to now is 84.6 secs Computing kpt #: 168 total cpu time spent up to now is 85.1 secs Computing kpt #: 169 total cpu time spent up to now is 85.6 secs Computing kpt #: 170 total cpu time spent up to now is 86.2 secs Computing kpt #: 171 total cpu time spent up to now is 86.7 secs Computing kpt #: 172 total cpu time spent up to now is 87.3 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.3 secs Computing kpt #: 175 total cpu time spent up to now is 88.9 secs Computing kpt #: 176 total cpu time spent up to now is 89.4 secs Computing kpt #: 177 total cpu time spent up to now is 89.9 secs Computing kpt #: 178 total cpu time spent up to now is 90.5 secs Computing kpt #: 179 total cpu time spent up to now is 91.0 secs Computing kpt #: 180 total cpu time spent up to now is 91.5 secs Computing kpt #: 181 total cpu time spent up to now is 92.1 secs Computing kpt #: 182 total cpu time spent up to now is 92.6 secs Computing kpt #: 183 total cpu time spent up to now is 93.1 secs Computing kpt #: 184 total cpu time spent up to now is 93.7 secs Computing kpt #: 185 total cpu time spent up to now is 94.2 secs Computing kpt #: 186 total cpu time spent up to now is 94.7 secs Computing kpt #: 187 total cpu time spent up to now is 95.3 secs Computing kpt #: 188 total cpu time spent up to now is 95.8 secs Computing kpt #: 189 total cpu time spent up to now is 96.3 secs Computing kpt #: 190 total cpu time spent up to now is 96.9 secs Computing kpt #: 191 total cpu time spent up to now is 97.3 secs Computing kpt #: 192 total cpu time spent up to now is 97.9 secs Computing kpt #: 193 total cpu time spent up to now is 98.4 secs Computing kpt #: 194 total cpu time spent up to now is 98.9 secs Computing kpt #: 195 total cpu time spent up to now is 99.5 secs Computing kpt #: 196 total cpu time spent up to now is 100.1 secs Computing kpt #: 197 total cpu time spent up to now is 100.6 secs Computing kpt #: 198 total cpu time spent up to now is 101.2 secs Computing kpt #: 199 total cpu time spent up to now is 101.8 secs Computing kpt #: 200 total cpu time spent up to now is 102.5 secs Computing kpt #: 201 total cpu time spent up to now is 103.0 secs Computing kpt #: 202 total cpu time spent up to now is 103.6 secs Computing kpt #: 203 total cpu time spent up to now is 104.2 secs Computing kpt #: 204 total cpu time spent up to now is 104.8 secs Computing kpt #: 205 total cpu time spent up to now is 105.3 secs Computing kpt #: 206 total cpu time spent up to now is 105.8 secs Computing kpt #: 207 total cpu time spent up to now is 106.3 secs Computing kpt #: 208 total cpu time spent up to now is 106.9 secs Computing kpt #: 209 total cpu time spent up to now is 107.4 secs Computing kpt #: 210 total cpu time spent up to now is 107.9 secs Computing kpt #: 211 total cpu time spent up to now is 108.3 secs Computing kpt #: 212 total cpu time spent up to now is 108.8 secs Computing kpt #: 213 total cpu time spent up to now is 109.3 secs Computing kpt #: 214 total cpu time spent up to now is 109.7 secs Computing kpt #: 215 total cpu time spent up to now is 110.2 secs Computing kpt #: 216 total cpu time spent up to now is 110.7 secs Computing kpt #: 217 total cpu time spent up to now is 111.1 secs Computing kpt #: 218 total cpu time spent up to now is 111.6 secs Computing kpt #: 219 total cpu time spent up to now is 112.1 secs Computing kpt #: 220 total cpu time spent up to now is 112.5 secs Computing kpt #: 221 total cpu time spent up to now is 113.0 secs Computing kpt #: 222 total cpu time spent up to now is 113.5 secs Computing kpt #: 223 total cpu time spent up to now is 113.9 secs Computing kpt #: 224 total cpu time spent up to now is 114.3 secs Computing kpt #: 225 total cpu time spent up to now is 114.8 secs Computing kpt #: 226 total cpu time spent up to now is 115.3 secs Computing kpt #: 227 total cpu time spent up to now is 115.8 secs Computing kpt #: 228 total cpu time spent up to now is 116.3 secs Computing kpt #: 229 total cpu time spent up to now is 116.7 secs Computing kpt #: 230 total cpu time spent up to now is 117.1 secs Computing kpt #: 231 total cpu time spent up to now is 117.6 secs Computing kpt #: 232 total cpu time spent up to now is 118.1 secs Computing kpt #: 233 total cpu time spent up to now is 118.5 secs Computing kpt #: 234 total cpu time spent up to now is 119.0 secs Computing kpt #: 235 total cpu time spent up to now is 119.4 secs Computing kpt #: 236 total cpu time spent up to now is 119.9 secs Computing kpt #: 237 total cpu time spent up to now is 120.3 secs Computing kpt #: 238 total cpu time spent up to now is 120.8 secs Computing kpt #: 239 total cpu time spent up to now is 121.3 secs Computing kpt #: 240 total cpu time spent up to now is 121.7 secs Computing kpt #: 241 total cpu time spent up to now is 122.2 secs Computing kpt #: 242 total cpu time spent up to now is 122.6 secs Computing kpt #: 243 total cpu time spent up to now is 123.0 secs Computing kpt #: 244 total cpu time spent up to now is 123.5 secs Computing kpt #: 245 total cpu time spent up to now is 123.9 secs Computing kpt #: 246 total cpu time spent up to now is 124.4 secs Computing kpt #: 247 total cpu time spent up to now is 124.8 secs Computing kpt #: 248 total cpu time spent up to now is 125.3 secs Computing kpt #: 249 total cpu time spent up to now is 125.7 secs Computing kpt #: 250 total cpu time spent up to now is 126.1 secs Computing kpt #: 251 total cpu time spent up to now is 126.6 secs Computing kpt #: 252 total cpu time spent up to now is 127.0 secs Computing kpt #: 253 total cpu time spent up to now is 127.4 secs Computing kpt #: 254 total cpu time spent up to now is 127.9 secs Computing kpt #: 255 total cpu time spent up to now is 128.3 secs Computing kpt #: 256 total cpu time spent up to now is 128.7 secs Computing kpt #: 257 total cpu time spent up to now is 129.1 secs Computing kpt #: 258 total cpu time spent up to now is 129.5 secs Computing kpt #: 259 total cpu time spent up to now is 129.9 secs Computing kpt #: 260 total cpu time spent up to now is 130.3 secs Computing kpt #: 261 total cpu time spent up to now is 130.8 secs Computing kpt #: 262 total cpu time spent up to now is 131.2 secs Computing kpt #: 263 total cpu time spent up to now is 131.7 secs Computing kpt #: 264 total cpu time spent up to now is 132.1 secs Computing kpt #: 265 total cpu time spent up to now is 132.5 secs Computing kpt #: 266 total cpu time spent up to now is 132.9 secs Computing kpt #: 267 total cpu time spent up to now is 133.3 secs Computing kpt #: 268 total cpu time spent up to now is 133.7 secs Computing kpt #: 269 total cpu time spent up to now is 134.2 secs Computing kpt #: 270 total cpu time spent up to now is 134.7 secs Computing kpt #: 271 total cpu time spent up to now is 135.1 secs Computing kpt #: 272 total cpu time spent up to now is 135.5 secs Computing kpt #: 273 total cpu time spent up to now is 135.9 secs Computing kpt #: 274 total cpu time spent up to now is 136.4 secs Computing kpt #: 275 total cpu time spent up to now is 136.9 secs Computing kpt #: 276 total cpu time spent up to now is 137.3 secs Computing kpt #: 277 total cpu time spent up to now is 137.7 secs Computing kpt #: 278 total cpu time spent up to now is 138.2 secs Computing kpt #: 279 total cpu time spent up to now is 138.7 secs Computing kpt #: 280 total cpu time spent up to now is 139.1 secs Computing kpt #: 281 total cpu time spent up to now is 139.6 secs Computing kpt #: 282 total cpu time spent up to now is 140.1 secs Computing kpt #: 283 total cpu time spent up to now is 140.5 secs Computing kpt #: 284 total cpu time spent up to now is 141.0 secs Computing kpt #: 285 total cpu time spent up to now is 142.0 secs Computing kpt #: 286 total cpu time spent up to now is 142.5 secs Computing kpt #: 287 total cpu time spent up to now is 143.0 secs Computing kpt #: 288 total cpu time spent up to now is 143.5 secs Computing kpt #: 289 total cpu time spent up to now is 144.0 secs Computing kpt #: 290 total cpu time spent up to now is 144.5 secs Computing kpt #: 291 total cpu time spent up to now is 145.0 secs Computing kpt #: 292 total cpu time spent up to now is 145.6 secs Computing kpt #: 293 total cpu time spent up to now is 146.2 secs Computing kpt #: 294 total cpu time spent up to now is 146.8 secs Computing kpt #: 295 total cpu time spent up to now is 147.4 secs Computing kpt #: 296 total cpu time spent up to now is 147.9 secs Computing kpt #: 297 total cpu time spent up to now is 148.4 secs Computing kpt #: 298 total cpu time spent up to now is 148.9 secs Computing kpt #: 299 total cpu time spent up to now is 149.4 secs Computing kpt #: 300 total cpu time spent up to now is 149.9 secs Computing kpt #: 301 total cpu time spent up to now is 150.4 secs Computing kpt #: 302 total cpu time spent up to now is 150.9 secs Computing kpt #: 303 total cpu time spent up to now is 151.3 secs Computing kpt #: 304 total cpu time spent up to now is 151.8 secs Computing kpt #: 305 total cpu time spent up to now is 152.3 secs Computing kpt #: 306 total cpu time spent up to now is 152.7 secs Computing kpt #: 307 total cpu time spent up to now is 153.2 secs Computing kpt #: 308 total cpu time spent up to now is 153.7 secs Computing kpt #: 309 total cpu time spent up to now is 154.1 secs Computing kpt #: 310 total cpu time spent up to now is 154.6 secs Computing kpt #: 311 total cpu time spent up to now is 155.1 secs Computing kpt #: 312 total cpu time spent up to now is 155.5 secs Computing kpt #: 313 total cpu time spent up to now is 156.0 secs Computing kpt #: 314 total cpu time spent up to now is 156.5 secs Computing kpt #: 315 total cpu time spent up to now is 156.9 secs Computing kpt #: 316 total cpu time spent up to now is 157.4 secs Computing kpt #: 317 total cpu time spent up to now is 157.8 secs Computing kpt #: 318 total cpu time spent up to now is 158.3 secs Computing kpt #: 319 total cpu time spent up to now is 158.8 secs Computing kpt #: 320 total cpu time spent up to now is 159.2 secs Computing kpt #: 321 total cpu time spent up to now is 159.7 secs Computing kpt #: 322 total cpu time spent up to now is 160.1 secs Computing kpt #: 323 total cpu time spent up to now is 160.5 secs Computing kpt #: 324 total cpu time spent up to now is 161.0 secs Computing kpt #: 325 total cpu time spent up to now is 161.5 secs Computing kpt #: 326 total cpu time spent up to now is 161.9 secs Computing kpt #: 327 total cpu time spent up to now is 162.4 secs Computing kpt #: 328 total cpu time spent up to now is 162.8 secs Computing kpt #: 329 total cpu time spent up to now is 163.3 secs Computing kpt #: 330 total cpu time spent up to now is 163.7 secs Computing kpt #: 331 total cpu time spent up to now is 164.1 secs Computing kpt #: 332 total cpu time spent up to now is 164.6 secs Computing kpt #: 333 total cpu time spent up to now is 165.0 secs Computing kpt #: 334 total cpu time spent up to now is 165.5 secs Computing kpt #: 335 total cpu time spent up to now is 165.9 secs Computing kpt #: 336 total cpu time spent up to now is 166.3 secs Computing kpt #: 337 total cpu time spent up to now is 166.8 secs Computing kpt #: 338 total cpu time spent up to now is 167.2 secs Computing kpt #: 339 total cpu time spent up to now is 167.7 secs Computing kpt #: 340 total cpu time spent up to now is 168.1 secs Computing kpt #: 341 total cpu time spent up to now is 168.5 secs Computing kpt #: 342 total cpu time spent up to now is 169.0 secs Computing kpt #: 343 total cpu time spent up to now is 169.4 secs Computing kpt #: 344 total cpu time spent up to now is 169.9 secs Computing kpt #: 345 total cpu time spent up to now is 170.3 secs Computing kpt #: 346 total cpu time spent up to now is 170.7 secs ethr = 2.63E-08, avg # of iterations = 14.2 total cpu time spent up to now is 170.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1464 -4.1464 -4.1464 -4.1464 -3.7108 -3.7108 -3.6798 -3.6798 -3.6798 -3.6798 1.6416 1.6416 6.2662 6.2662 6.2662 6.2662 6.9610 6.9610 7.4101 7.4101 7.4101 7.4101 10.1122 10.1122 10.1122 10.1122 10.3725 10.3725 10.8500 10.8500 10.8500 10.8500 14.4102 14.4102 14.8443 14.8443 15.7752 15.7752 k = 0.0096-0.0056 0.0079 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1465 -4.1465 -4.1464 -4.1464 -3.7108 -3.7108 -3.6799 -3.6799 -3.6797 -3.6797 1.6430 1.6430 6.2629 6.2629 6.2698 6.2698 6.9612 6.9612 7.4054 7.4054 7.4155 7.4155 10.1111 10.1111 10.1122 10.1122 10.3719 10.3719 10.8470 10.8470 10.8500 10.8500 14.4073 14.4073 14.8374 14.8374 15.7527 15.7527 k = 0.0192-0.0111 0.0157 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1466 -4.1466 -4.1463 -4.1463 -3.7108 -3.7108 -3.6800 -3.6800 -3.6796 -3.6796 1.6472 1.6472 6.2599 6.2600 6.2740 6.2740 6.9617 6.9617 7.4014 7.4014 7.4216 7.4216 10.1084 10.1084 10.1113 10.1113 10.3700 10.3700 10.8386 10.8386 10.8499 10.8499 14.3986 14.3986 14.8170 14.8170 15.6939 15.6939 k = 0.0288-0.0167 0.0236 ( 4709 PWs) bands (ev): -68.1406 -68.1406 -37.9155 -37.9155 -36.7121 -36.7121 -36.7120 -36.7120 -4.1467 -4.1467 -4.1462 -4.1462 -3.7108 -3.7108 -3.6801 -3.6801 -3.6795 -3.6795 1.6543 1.6543 6.2568 6.2568 6.2787 6.2787 6.9620 6.9620 7.3974 7.3974 7.4275 7.4276 10.0970 10.0970 10.1065 10.1065 10.3620 10.3620 10.8182 10.8182 10.8490 10.8490 14.3839 14.3839 14.7841 14.7841 15.6109 15.6109 k = 0.0385-0.0222 0.0314 ( 4721 PWs) bands (ev): -68.1419 -68.1419 -37.9156 -37.9156 -36.7121 -36.7121 -36.7120 -36.7120 -4.1468 -4.1468 -4.1461 -4.1461 -3.7108 -3.7108 -3.6802 -3.6802 -3.6794 -3.6794 1.6641 1.6641 6.2537 6.2537 6.2843 6.2843 6.9631 6.9631 7.3941 7.3941 7.4341 7.4341 10.0881 10.0881 10.1025 10.1025 10.3557 10.3557 10.7899 10.7899 10.8464 10.8464 14.3630 14.3630 14.7402 14.7402 15.5144 15.5144 k = 0.0481-0.0278 0.0393 ( 4737 PWs) bands (ev): -68.1436 -68.1436 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1468 -4.1468 -4.1461 -4.1461 -3.7108 -3.7108 -3.6803 -3.6803 -3.6793 -3.6793 1.6768 1.6768 6.2503 6.2503 6.2907 6.2907 6.9643 6.9643 7.3913 7.3913 7.4414 7.4414 10.0744 10.0744 10.0966 10.0966 10.3466 10.3466 10.7603 10.7603 10.8400 10.8400 14.3354 14.3354 14.6870 14.6870 15.4092 15.4092 k = 0.0577-0.0333 0.0471 ( 4729 PWs) bands (ev): -68.1428 -68.1428 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1469 -4.1469 -4.1460 -4.1460 -3.7108 -3.7108 -3.6803 -3.6803 -3.6791 -3.6791 1.6923 1.6923 6.2469 6.2469 6.2985 6.2985 6.9669 6.9669 7.3903 7.3903 7.4504 7.4504 10.0676 10.0676 10.0959 10.0959 10.3434 10.3434 10.7306 10.7306 10.8404 10.8404 14.3010 14.3010 14.6267 14.6267 15.2997 15.2997 k = 0.0673-0.0389 0.0550 ( 4745 PWs) bands (ev): -68.1444 -68.1444 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1470 -4.1470 -4.1459 -4.1459 -3.7108 -3.7108 -3.6804 -3.6804 -3.6790 -3.6790 1.7105 1.7105 6.2425 6.2425 6.3070 6.3070 6.9690 6.9690 7.3891 7.3891 7.4592 7.4592 10.0537 10.0537 10.0851 10.0851 10.3312 10.3312 10.6925 10.6925 10.8342 10.8342 14.2584 14.2584 14.5605 14.5605 15.1862 15.1862 k = 0.0769-0.0444 0.0628 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1471 -4.1471 -4.1459 -4.1459 -3.7107 -3.7107 -3.6805 -3.6805 -3.6789 -3.6789 1.7316 1.7316 6.2376 6.2376 6.3165 6.3165 6.9720 6.9720 7.3891 7.3891 7.4691 7.4691 10.0383 10.0383 10.0774 10.0774 10.3209 10.3209 10.6526 10.6526 10.8297 10.8297 14.2081 14.2081 14.4902 14.4902 15.0703 15.0703 k = 0.0865-0.0500 0.0707 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1471 -4.1471 -4.1458 -4.1458 -3.7107 -3.7107 -3.6805 -3.6805 -3.6787 -3.6787 1.7553 1.7553 6.2321 6.2321 6.3273 6.3273 6.9758 6.9758 7.3903 7.3903 7.4801 7.4801 10.0242 10.0242 10.0707 10.0707 10.3122 10.3122 10.6090 10.6090 10.8289 10.8289 14.1497 14.1497 14.4171 14.4171 14.9532 14.9532 k = 0.0962-0.0555 0.0785 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1472 -4.1472 -4.1457 -4.1457 -3.7107 -3.7107 -3.6805 -3.6805 -3.6786 -3.6786 1.7818 1.7818 6.2257 6.2257 6.3391 6.3391 6.9803 6.9803 7.3924 7.3924 7.4916 7.4916 10.0087 10.0087 10.0631 10.0631 10.3030 10.3030 10.5615 10.5615 10.8281 10.8281 14.0830 14.0830 14.3419 14.3419 14.8350 14.8350 k = 0.1058-0.0611 0.0864 ( 4745 PWs) bands (ev): -68.1445 -68.1445 -37.9157 -37.9157 -36.7123 -36.7123 -36.7121 -36.7121 -4.1473 -4.1473 -4.1457 -4.1457 -3.7107 -3.7107 -3.6806 -3.6806 -3.6784 -3.6784 1.8110 1.8110 6.2184 6.2184 6.3520 6.3520 6.9857 6.9857 7.3961 7.3961 7.5043 7.5043 9.9940 9.9940 10.0558 10.0558 10.2946 10.2946 10.5136 10.5136 10.8311 10.8311 14.0088 14.0088 14.2654 14.2654 14.7165 14.7165 k = 0.1154-0.0666 0.0942 ( 4745 PWs) bands (ev): -68.1445 -68.1445 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1474 -4.1456 -4.1456 -3.7107 -3.7107 -3.6806 -3.6806 -3.6782 -3.6782 1.8428 1.8428 6.2100 6.2100 6.3658 6.3658 6.9916 6.9916 7.4002 7.4002 7.5170 7.5170 9.9759 9.9759 10.0461 10.0461 10.2848 10.2848 10.4599 10.4599 10.8302 10.8302 13.9272 13.9272 14.1870 14.1870 14.5971 14.5971 k = 0.1250-0.0722 0.1021 ( 4745 PWs) bands (ev): -68.1445 -68.1445 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1474 -4.1455 -4.1455 -3.7106 -3.7106 -3.6806 -3.6806 -3.6781 -3.6781 1.8772 1.8772 6.2004 6.2004 6.3805 6.3805 6.9983 6.9983 7.4054 7.4054 7.5303 7.5303 9.9567 9.9567 10.0353 10.0353 10.2748 10.2748 10.4039 10.4039 10.8293 10.8293 13.8396 13.8396 14.1067 14.1067 14.4775 14.4775 k = 0.1346-0.0777 0.1099 ( 4749 PWs) bands (ev): -68.1449 -68.1449 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1475 -4.1475 -4.1455 -4.1455 -3.7106 -3.7106 -3.6807 -3.6807 -3.6779 -3.6779 1.9142 1.9142 6.1895 6.1895 6.3960 6.3960 7.0055 7.0055 7.4116 7.4116 7.5440 7.5440 9.9343 9.9343 10.0216 10.0216 10.2627 10.2627 10.3470 10.3470 10.8278 10.8278 13.7468 13.7468 14.0241 14.0241 14.3575 14.3575 k = 0.1442-0.0833 0.1178 ( 4749 PWs) bands (ev): -68.1449 -68.1449 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1476 -4.1476 -4.1454 -4.1454 -3.7106 -3.7106 -3.6807 -3.6807 -3.6777 -3.6777 1.9536 1.9536 6.1775 6.1775 6.4124 6.4124 7.0137 7.0137 7.4192 7.4192 7.5581 7.5581 9.9127 9.9127 10.0082 10.0082 10.2477 10.2477 10.2930 10.2930 10.8269 10.8269 13.6500 13.6500 13.9392 13.9392 14.2379 14.2379 k = 0.1538-0.0888 0.1256 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1477 -4.1477 -4.1453 -4.1453 -3.7106 -3.7106 -3.6807 -3.6807 -3.6775 -3.6775 1.9956 1.9956 6.1639 6.1639 6.4296 6.4296 7.0225 7.0225 7.4275 7.4275 7.5725 7.5725 9.8921 9.8921 9.9941 9.9941 10.2109 10.2109 10.2592 10.2592 10.8174 10.8174 13.5504 13.5504 13.8514 13.8514 14.1190 14.1190 k = 0.1635-0.0944 0.1335 ( 4769 PWs) bands (ev): -68.1469 -68.1469 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1478 -4.1478 -4.1453 -4.1453 -3.7106 -3.7106 -3.6807 -3.6807 -3.6774 -3.6774 2.0399 2.0399 6.1491 6.1491 6.4472 6.4472 7.0316 7.0316 7.4372 7.4372 7.5866 7.5866 9.8617 9.8617 9.9732 9.9732 10.1502 10.1502 10.2424 10.2424 10.8147 10.8147 13.4469 13.4469 13.7603 13.7603 13.9988 13.9988 k = 0.1731-0.0999 0.1413 ( 4761 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1478 -4.1478 -4.1452 -4.1452 -3.7106 -3.7106 -3.6807 -3.6807 -3.6772 -3.6772 2.0866 2.0866 6.1333 6.1333 6.4658 6.4658 7.0419 7.0419 7.4491 7.4491 7.6019 7.6019 9.8383 9.8383 9.9582 9.9582 10.0948 10.0948 10.2346 10.2346 10.8140 10.8140 13.3435 13.3435 13.6677 13.6677 13.8808 13.8808 k = 0.1827-0.1055 0.1492 ( 4761 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1479 -4.1479 -4.1452 -4.1452 -3.7106 -3.7106 -3.6807 -3.6807 -3.6770 -3.6770 2.1356 2.1356 6.1161 6.1161 6.4848 6.4848 7.0526 7.0526 7.4623 7.4623 7.6170 7.6170 9.8092 9.8092 9.9390 9.9390 10.0374 10.0374 10.2276 10.2276 10.8129 10.8129 13.2382 13.2382 13.5722 13.5722 13.7628 13.7628 k = 0.1923-0.1110 0.1570 ( 4761 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1480 -4.1480 -4.1451 -4.1451 -3.7106 -3.7106 -3.6807 -3.6807 -3.6768 -3.6768 2.1868 2.1868 6.0978 6.0978 6.5043 6.5043 7.0637 7.0637 7.4770 7.4770 7.6321 7.6321 9.7764 9.7764 9.9169 9.9169 9.9853 9.9853 10.2216 10.2216 10.8118 10.8118 13.1321 13.1321 13.4744 13.4744 13.6454 13.6454 k = 0.2019-0.1166 0.1649 ( 4761 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1481 -4.1481 -4.1451 -4.1451 -3.7106 -3.7106 -3.6807 -3.6807 -3.6766 -3.6766 2.2402 2.2402 6.0784 6.0784 6.5240 6.5240 7.0752 7.0752 7.4933 7.4933 7.6473 7.6473 9.7384 9.7384 9.8894 9.8894 9.9428 9.9428 10.2164 10.2164 10.8108 10.8108 13.0255 13.0255 13.3744 13.3744 13.5288 13.5288 k = 0.2115-0.1221 0.1727 ( 4757 PWs) bands (ev): -68.1457 -68.1457 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1481 -4.1481 -4.1450 -4.1450 -3.7105 -3.7105 -3.6807 -3.6807 -3.6763 -3.6763 2.2956 2.2956 6.0579 6.0579 6.5441 6.5441 7.0870 7.0870 7.5112 7.5112 7.6625 7.6625 9.6966 9.6966 9.8577 9.8577 9.9128 9.9128 10.2122 10.2122 10.8097 10.8097 12.9193 12.9193 13.2732 13.2732 13.4132 13.4132 k = 0.2212-0.1277 0.1806 ( 4761 PWs) bands (ev): -68.1460 -68.1460 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1482 -4.1482 -4.1450 -4.1450 -3.7106 -3.7105 -3.6807 -3.6807 -3.6761 -3.6761 2.3530 2.3530 6.0362 6.0362 6.5642 6.5642 7.0988 7.0988 7.5305 7.5305 7.6773 7.6773 9.6456 9.6456 9.8233 9.8233 9.8868 9.8868 10.2072 10.2072 10.8086 10.8086 12.8124 12.8124 13.1698 13.1698 13.2980 13.2980 k = 0.2308-0.1332 0.1884 ( 4757 PWs) bands (ev): -68.1456 -68.1456 -37.9158 -37.9158 -36.7126 -36.7126 -36.7123 -36.7123 -4.1483 -4.1483 -4.1450 -4.1450 -3.7106 -3.7106 -3.6807 -3.6807 -3.6759 -3.6759 2.4122 2.4122 6.0139 6.0139 6.5845 6.5845 7.1110 7.1110 7.5519 7.5519 7.6921 7.6921 9.5884 9.5884 9.7940 9.7940 9.8666 9.8666 10.2069 10.2069 10.8107 10.8107 12.7066 12.7066 13.0658 13.0658 13.1845 13.1845 k = 0.2404-0.1388 0.1963 ( 4741 PWs) bands (ev): -68.1439 -68.1439 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1484 -4.1484 -4.1449 -4.1449 -3.7105 -3.7105 -3.6807 -3.6807 -3.6757 -3.6757 2.4733 2.4733 5.9908 5.9908 6.6048 6.6048 7.1233 7.1233 7.5749 7.5749 7.7069 7.7069 9.5298 9.5298 9.7731 9.7731 9.8526 9.8526 10.2102 10.2102 10.8116 10.8116 12.6031 12.6031 12.9624 12.9624 13.0733 13.0733 k = 0.2500-0.1443 0.2041 ( 4729 PWs) bands (ev): -68.1427 -68.1427 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1484 -4.1484 -4.1449 -4.1449 -3.7105 -3.7105 -3.6807 -3.6807 -3.6755 -3.6755 2.5360 2.5360 5.9669 5.9669 6.6249 6.6249 7.1354 7.1354 7.5991 7.5991 7.7215 7.7215 9.4742 9.4742 9.7528 9.7528 9.8368 9.8368 10.2090 10.2090 10.8109 10.8109 12.5004 12.5004 12.8594 12.8594 12.9628 12.9628 k = 0.2596-0.1499 0.2120 ( 4733 PWs) bands (ev): -68.1431 -68.1431 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1485 -4.1485 -4.1448 -4.1448 -3.7106 -3.7106 -3.6807 -3.6807 -3.6752 -3.6752 2.6002 2.6002 5.9419 5.9419 6.6446 6.6446 7.1471 7.1471 7.6244 7.6244 7.7352 7.7352 9.4073 9.4073 9.7314 9.7314 9.8186 9.8186 10.2077 10.2077 10.8099 10.8099 12.3968 12.3968 12.7537 12.7538 12.8525 12.8525 k = 0.2692-0.1554 0.2198 ( 4741 PWs) bands (ev): -68.1439 -68.1439 -37.9159 -37.9159 -36.7126 -36.7126 -36.7123 -36.7123 -4.1486 -4.1486 -4.1448 -4.1448 -3.7106 -3.7106 -3.6807 -3.6807 -3.6750 -3.6750 2.6657 2.6657 5.9162 5.9162 6.6639 6.6639 7.1586 7.1586 7.6508 7.6508 7.7488 7.7488 9.3431 9.3431 9.7097 9.7097 9.7987 9.7987 10.2035 10.2035 10.8087 10.8087 12.2942 12.2942 12.6489 12.6489 12.7431 12.7431 k = 0.2788-0.1610 0.2277 ( 4740 PWs) bands (ev): -68.1438 -68.1438 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1487 -4.1487 -4.1448 -4.1448 -3.7106 -3.7106 -3.6807 -3.6807 -3.6748 -3.6748 2.7325 2.7325 5.8899 5.8899 6.6829 6.6829 7.1699 7.1699 7.6785 7.6785 7.7622 7.7622 9.2807 9.2807 9.6945 9.6945 9.7841 9.7841 10.1987 10.1987 10.8079 10.8079 12.1947 12.1947 12.5460 12.5460 12.6365 12.6365 k = 0.2885-0.1665 0.2355 ( 4732 PWs) bands (ev): -68.1430 -68.1430 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1488 -4.1488 -4.1448 -4.1448 -3.7106 -3.7106 -3.6807 -3.6807 -3.6745 -3.6745 2.8005 2.8005 5.8635 5.8635 6.7015 6.7015 7.1811 7.1811 7.7072 7.7072 7.7755 7.7755 9.2174 9.2174 9.6827 9.6827 9.7724 9.7724 10.2000 10.2000 10.8079 10.8079 12.0974 12.0974 12.4454 12.4454 12.5322 12.5322 k = 0.2981-0.1721 0.2434 ( 4724 PWs) bands (ev): -68.1421 -68.1421 -37.9159 -37.9159 -36.7126 -36.7126 -36.7123 -36.7123 -4.1488 -4.1488 -4.1448 -4.1448 -3.7106 -3.7106 -3.6807 -3.6807 -3.6743 -3.6743 2.8693 2.8693 5.8366 5.8366 6.7196 6.7196 7.1920 7.1920 7.7367 7.7367 7.7887 7.7887 9.1516 9.1516 9.6727 9.6727 9.7618 9.7618 10.2032 10.2032 10.8113 10.8113 12.0017 12.0017 12.3457 12.3457 12.4297 12.4297 k = 0.3077-0.1776 0.2512 ( 4728 PWs) bands (ev): -68.1425 -68.1425 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1489 -4.1489 -4.1447 -4.1447 -3.7106 -3.7106 -3.6807 -3.6807 -3.6741 -3.6741 2.9388 2.9388 5.8093 5.8093 6.7372 6.7372 7.2021 7.2021 7.7657 7.7657 7.8019 7.8019 9.0878 9.0878 9.6596 9.6596 9.7475 9.7475 10.2044 10.2044 10.8093 10.8093 11.9066 11.9066 12.2477 12.2478 12.3286 12.3286 k = 0.3173-0.1832 0.2591 ( 4724 PWs) bands (ev): -68.1421 -68.1421 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1490 -4.1490 -4.1447 -4.1447 -3.7107 -3.7107 -3.6807 -3.6807 -3.6739 -3.6739 3.0089 3.0089 5.7818 5.7818 6.7543 6.7543 7.2118 7.2118 7.7939 7.7939 7.8163 7.8163 9.0250 9.0250 9.6510 9.6510 9.7371 9.7371 10.2091 10.2091 10.8086 10.8086 11.8145 11.8145 12.1526 12.1526 12.2314 12.2314 k = 0.3269-0.1887 0.2669 ( 4724 PWs) bands (ev): -68.1421 -68.1421 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1490 -4.1490 -4.1447 -4.1447 -3.7107 -3.7107 -3.6807 -3.6807 -3.6737 -3.6737 3.0793 3.0793 5.7539 5.7539 6.7709 6.7709 7.2208 7.2208 7.8169 7.8169 7.8358 7.8358 8.9623 8.9623 9.6438 9.6438 9.7274 9.7274 10.2114 10.2114 10.8079 10.8079 11.7243 11.7243 12.0586 12.0586 12.1375 12.1375 k = 0.3365-0.1943 0.2748 ( 4716 PWs) bands (ev): -68.1413 -68.1413 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1491 -4.1491 -4.1447 -4.1447 -3.7107 -3.7107 -3.6807 -3.6807 -3.6734 -3.6734 3.1497 3.1497 5.7260 5.7260 6.7873 6.7873 7.2291 7.2291 7.8326 7.8326 7.8626 7.8626 8.9003 8.9003 9.6420 9.6420 9.7229 9.7229 10.2151 10.2151 10.8091 10.8091 11.6379 11.6379 11.9671 11.9672 12.0485 12.0485 k = 0.3462-0.1999 0.2826 ( 4724 PWs) bands (ev): -68.1420 -68.1420 -37.9159 -37.9159 -36.7127 -36.7127 -36.7124 -36.7124 -4.1492 -4.1492 -4.1447 -4.1447 -3.7107 -3.7107 -3.6808 -3.6808 -3.6732 -3.6732 3.2199 3.2199 5.6978 5.6978 6.8033 6.8033 7.2363 7.2363 7.8454 7.8454 7.8911 7.8911 8.8383 8.8383 9.6358 9.6358 9.7133 9.7133 10.2179 10.2179 10.8069 10.8069 11.5511 11.5511 11.8754 11.8754 11.9631 11.9631 k = 0.3558-0.2054 0.2905 ( 4740 PWs) bands (ev): -68.1437 -68.1437 -37.9160 -37.9160 -36.7127 -36.7127 -36.7124 -36.7124 -4.1492 -4.1492 -4.1447 -4.1447 -3.7108 -3.7108 -3.6808 -3.6808 -3.6731 -3.6731 3.2895 3.2895 5.6696 5.6696 6.8190 6.8190 7.2417 7.2417 7.8570 7.8570 7.9193 7.9193 8.7760 8.7760 9.6333 9.6333 9.7070 9.7070 10.2182 10.2182 10.7940 10.7940 11.4672 11.4672 11.7848 11.7848 11.8819 11.8819 k = 0.3654-0.2110 0.2983 ( 4748 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1493 -4.1493 -4.1447 -4.1447 -3.7108 -3.7108 -3.6808 -3.6808 -3.6729 -3.6729 3.3583 3.3583 5.6414 5.6414 6.8349 6.8349 7.2467 7.2467 7.8687 7.8687 7.9471 7.9471 8.7141 8.7141 9.6333 9.6333 9.7030 9.7030 10.2215 10.2215 10.7933 10.7933 11.3859 11.3859 11.6959 11.6959 11.8051 11.8051 k = 0.3750-0.2165 0.3062 ( 4740 PWs) bands (ev): -68.1436 -68.1436 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1494 -4.1494 -4.1447 -4.1447 -3.7108 -3.7108 -3.6808 -3.6808 -3.6727 -3.6727 3.4260 3.4260 5.6138 5.6138 6.8509 6.8509 7.2505 7.2505 7.8802 7.8802 7.9738 7.9738 8.6592 8.6592 9.6384 9.6384 9.7039 9.7039 10.2254 10.2254 10.7929 10.7929 11.3095 11.3095 11.6113 11.6113 11.7416 11.7416 k = 0.3846-0.2221 0.3140 ( 4748 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1494 -4.1494 -4.1447 -4.1447 -3.7108 -3.7108 -3.6808 -3.6808 -3.6725 -3.6725 3.4920 3.4920 5.5859 5.5859 6.8671 6.8671 7.2524 7.2524 7.8915 7.8915 7.9987 7.9987 8.6001 8.6001 9.6440 9.6440 9.7052 9.7052 10.2289 10.2289 10.7924 10.7924 11.2344 11.2344 11.5269 11.5269 11.6740 11.6740 k = 0.3942-0.2276 0.3219 ( 4748 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1495 -4.1495 -4.1447 -4.1447 -3.7109 -3.7109 -3.6808 -3.6808 -3.6724 -3.6724 3.5560 3.5560 5.5588 5.5588 6.8838 6.8838 7.2529 7.2529 7.9026 7.9026 8.0217 8.0217 8.5468 8.5468 9.6519 9.6519 9.7087 9.7087 10.2331 10.2331 10.7928 10.7928 11.1633 11.1633 11.4463 11.4463 11.6173 11.6173 k = 0.4038-0.2332 0.3297 ( 4748 PWs) bands (ev): -68.1443 -68.1443 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1495 -4.1495 -4.1447 -4.1447 -3.7109 -3.7109 -3.6809 -3.6809 -3.6722 -3.6722 3.6176 3.6176 5.5324 5.5324 6.9010 6.9010 7.2515 7.2515 7.9135 7.9135 8.0420 8.0420 8.4967 8.4967 9.6619 9.6619 9.7143 9.7143 10.2368 10.2368 10.7924 10.7924 11.0958 11.0958 11.3689 11.3689 11.5664 11.5664 k = 0.4135-0.2387 0.3376 ( 4772 PWs) bands (ev): -68.1468 -68.1468 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1496 -4.1496 -4.1447 -4.1447 -3.7109 -3.7109 -3.6809 -3.6809 -3.6721 -3.6721 3.6760 3.6760 5.5064 5.5064 6.9188 6.9188 7.2477 7.2477 7.9239 7.9239 8.0588 8.0588 8.4497 8.4497 9.6644 9.6644 9.7114 9.7114 10.2365 10.2365 10.7896 10.7896 11.0275 11.0275 11.2916 11.2916 11.5183 11.5183 k = 0.4231-0.2443 0.3454 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1496 -4.1496 -4.1447 -4.1447 -3.7109 -3.7109 -3.6809 -3.6809 -3.6719 -3.6719 3.7309 3.7309 5.4822 5.4822 6.9373 6.9373 7.2424 7.2424 7.9345 7.9345 8.0722 8.0723 8.4090 8.4090 9.6800 9.6800 9.7231 9.7231 10.2399 10.2399 10.7901 10.7901 10.9699 10.9699 11.2234 11.2234 11.4809 11.4809 k = 0.4327-0.2498 0.3533 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1497 -4.1497 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6718 -3.6718 3.7817 3.7817 5.4591 5.4591 6.9565 6.9565 7.2348 7.2348 7.9448 7.9448 8.0810 8.0810 8.3735 8.3735 9.6938 9.6938 9.7327 9.7327 10.2428 10.2428 10.7897 10.7897 10.9159 10.9159 11.1590 11.1590 11.4461 11.4461 k = 0.4423-0.2554 0.3611 ( 4772 PWs) bands (ev): -68.1468 -68.1468 -37.9161 -37.9161 -36.7130 -36.7130 -36.7126 -36.7126 -4.1497 -4.1497 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6717 -3.6717 3.8276 3.8276 5.4377 5.4377 6.9763 6.9763 7.2248 7.2248 7.9549 7.9549 8.0843 8.0843 8.3443 8.3443 9.7056 9.7056 9.7401 9.7401 10.2447 10.2447 10.7888 10.7888 10.8665 10.8665 11.0991 11.0991 11.4132 11.4132 k = 0.4519-0.2609 0.3690 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1497 -4.1497 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6716 -3.6716 3.8680 3.8680 5.4189 5.4189 6.9968 6.9968 7.2133 7.2133 7.9652 7.9652 8.0826 8.0826 8.3232 8.3232 9.7217 9.7217 9.7523 9.7523 10.2472 10.2472 10.7863 10.7863 10.8277 10.8277 11.0477 11.0477 11.3929 11.3929 k = 0.4615-0.2665 0.3768 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1497 -4.1497 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6716 -3.6716 3.9022 3.9022 5.4026 5.4026 7.0173 7.0173 7.1998 7.1998 7.9755 7.9755 8.0759 8.0759 8.3084 8.3084 9.7352 9.7352 9.7613 9.7613 10.2489 10.2489 10.7743 10.7743 10.8043 10.8043 11.0026 11.0026 11.3727 11.3727 k = 0.4712-0.2720 0.3847 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6715 -3.6715 3.9297 3.9297 5.3893 5.3893 7.0375 7.0375 7.1851 7.1851 7.9858 7.9858 8.0656 8.0656 8.2992 8.2992 9.7475 9.7475 9.7687 9.7687 10.2502 10.2502 10.7515 10.7515 10.7992 10.7992 10.9658 10.9658 11.3572 11.3572 k = 0.4808-0.2776 0.3925 ( 4764 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6715 -3.6715 3.9497 3.9497 5.3795 5.3795 7.0563 7.0563 7.1702 7.1702 7.9963 7.9963 8.0537 8.0537 8.2940 8.2940 9.7576 9.7576 9.7739 9.7739 10.2511 10.2511 10.7320 10.7320 10.7988 10.7988 10.9383 10.9383 11.3462 11.3462 k = 0.4904-0.2831 0.4004 ( 4772 PWs) bands (ev): -68.1468 -68.1468 -37.9161 -37.9161 -36.7130 -36.7130 -36.7126 -36.7126 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6715 -3.6715 3.9619 3.9619 5.3733 5.3733 7.0711 7.0711 7.1574 7.1574 8.0059 8.0059 8.0422 8.0422 8.2915 8.2915 9.7620 9.7620 9.7733 9.7733 10.2513 10.2513 10.7180 10.7180 10.7983 10.7983 10.9198 10.9198 11.3380 11.3380 k = 0.5000-0.2887 0.4082 ( 4752 PWs) bands (ev): -68.1447 -68.1447 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6714 -3.6714 3.9661 3.9661 5.3717 5.3717 7.0775 7.0775 7.1524 7.1524 8.0118 8.0118 8.0367 8.0367 8.2909 8.2909 9.7707 9.7707 9.7813 9.7813 10.2541 10.2541 10.7179 10.7179 10.8002 10.8002 10.9170 10.9170 11.3414 11.3414 k = 0.5000-0.2887 0.4082 ( 4752 PWs) bands (ev): -68.1447 -68.1447 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6714 -3.6714 3.9661 3.9661 5.3717 5.3717 7.0775 7.0775 7.1524 7.1524 8.0118 8.0118 8.0367 8.0367 8.2909 8.2909 9.7707 9.7707 9.7813 9.7813 10.2541 10.2541 10.7179 10.7179 10.8002 10.8002 10.9170 10.9170 11.3414 11.3414 k = 0.5000-0.2776 0.4161 ( 4762 PWs) bands (ev): -68.1458 -68.1458 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1498 -4.1497 -4.1448 -4.1446 -3.7111 -3.7110 -3.6810 -3.6808 -3.6715 -3.6714 3.9655 3.9666 5.3715 5.3748 7.0625 7.0911 7.1458 7.1582 7.9893 8.0076 8.0447 8.0543 8.2663 8.3168 9.7579 9.7719 9.7763 9.7824 10.2461 10.2553 10.6894 10.7029 10.7903 10.8153 10.9242 10.9300 11.3369 11.3436 k = 0.5000-0.2665 0.4240 ( 4760 PWs) bands (ev): -68.1456 -68.1456 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1499 -4.1497 -4.1450 -4.1444 -3.7111 -3.7109 -3.6811 -3.6807 -3.6716 -3.6713 3.9650 3.9673 5.3747 5.3813 7.0471 7.1032 7.1386 7.1643 7.9622 7.9909 8.0658 8.0772 8.2432 8.3442 9.7471 9.7631 9.7847 9.7849 10.2377 10.2558 10.6482 10.6547 10.7962 10.8207 10.9490 10.9653 11.3356 11.3493 k = 0.5000-0.2554 0.4318 ( 4768 PWs) bands (ev): -68.1464 -68.1464 -37.9161 -37.9161 -36.7130 -36.7130 -36.7126 -36.7126 -4.1499 -4.1496 -4.1451 -4.1443 -3.7112 -3.7108 -3.6812 -3.6806 -3.6717 -3.6713 3.9646 3.9680 5.3807 5.3907 7.0310 7.1123 7.1295 7.1711 7.9320 7.9746 8.0853 8.1021 8.2216 8.3731 9.7322 9.7503 9.7844 9.7901 10.2278 10.2551 10.5931 10.5990 10.7957 10.8135 10.9809 11.0076 11.3291 11.3504 k = 0.5000-0.2443 0.4397 ( 4768 PWs) bands (ev): -68.1464 -68.1464 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7126 -4.1499 -4.1496 -4.1453 -4.1442 -3.7112 -3.7108 -3.6813 -3.6804 -3.6719 -3.6713 3.9643 3.9687 5.3901 5.4037 7.0147 7.1179 7.1194 7.1802 7.9001 7.9600 8.1037 8.1289 8.2016 8.4036 9.7165 9.7382 9.7855 9.7956 10.2168 10.2526 10.5292 10.5491 10.7898 10.8020 11.0169 11.0509 11.3278 11.3570 k = 0.5000-0.2332 0.4475 ( 4764 PWs) bands (ev): -68.1459 -68.1459 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7126 -4.1499 -4.1495 -4.1455 -4.1440 -3.7112 -3.7107 -3.6814 -3.6803 -3.6720 -3.6713 3.9640 3.9695 5.4027 5.4198 6.9984 7.1078 7.1197 7.1916 7.8664 7.9475 8.1204 8.1569 8.1839 8.4357 9.6983 9.7232 9.7856 9.8006 10.2051 10.2492 10.4664 10.4999 10.7794 10.7878 11.0550 11.0940 11.3285 11.3656 k = 0.5000-0.2221 0.4554 ( 4764 PWs) bands (ev): -68.1459 -68.1459 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7126 -4.1499 -4.1495 -4.1456 -4.1439 -3.7113 -3.7107 -3.6815 -3.6801 -3.6722 -3.6713 3.9638 3.9704 5.4184 5.4391 6.9819 7.0944 7.1182 7.2043 7.8307 7.9360 8.1353 8.1627 8.1913 8.4692 9.6771 9.7046 9.7846 9.8050 10.1914 10.2426 10.4040 10.4504 10.7645 10.7712 11.0899 11.1299 11.3281 11.3747 k = 0.5000-0.2110 0.4632 ( 4762 PWs) bands (ev): -68.1457 -68.1457 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7126 -4.1499 -4.1494 -4.1458 -4.1438 -3.7113 -3.7106 -3.6815 -3.6799 -3.6723 -3.6714 3.9636 3.9713 5.4370 5.4615 6.9652 7.0795 7.1139 7.2180 7.7934 7.9263 8.1476 8.1487 8.2227 8.5043 9.6531 9.6823 9.7827 9.8089 10.1774 10.2344 10.3457 10.4032 10.7467 10.7534 11.1233 11.1609 11.3290 11.3864 k = 0.5000-0.1999 0.4711 ( 4758 PWs) bands (ev): -68.1453 -68.1453 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7125 -4.1499 -4.1493 -4.1459 -4.1437 -3.7113 -3.7105 -3.6815 -3.6797 -3.6725 -3.6714 3.9635 3.9721 5.4586 5.4870 6.9485 7.0627 7.1071 7.2323 7.7544 7.9182 8.1329 8.1603 8.2569 8.5408 9.6271 9.6560 9.7809 9.8150 10.1622 10.2216 10.2927 10.3580 10.7279 10.7357 11.1552 11.1879 11.3297 11.3990 k = 0.5000-0.1887 0.4789 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1492 -4.1461 -4.1436 -3.7114 -3.7104 -3.6816 -3.6795 -3.6727 -3.6715 3.9636 3.9732 5.4832 5.5157 6.9314 7.0445 7.0980 7.2467 7.7142 7.9115 8.1195 8.1703 8.2927 8.5787 9.5979 9.6271 9.7774 9.8173 10.1507 10.2111 10.2483 10.3178 10.7057 10.7170 11.1821 11.2084 11.3334 11.4146 k = 0.5000-0.1776 0.4868 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1492 -4.1463 -4.1435 -3.7114 -3.7104 -3.6816 -3.6793 -3.6729 -3.6716 3.9635 3.9741 5.5104 5.5472 6.9139 7.0246 7.0862 7.2611 7.6728 7.9064 8.1071 8.1784 8.3302 8.6179 9.5651 9.5912 9.7702 9.8188 10.1365 10.1908 10.2112 10.2769 10.6822 10.6974 11.2053 11.2251 11.3357 11.4285 k = 0.5000-0.1665 0.4946 ( 4746 PWs) bands (ev): -68.1440 -68.1440 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1491 -4.1464 -4.1434 -3.7114 -3.7103 -3.6816 -3.6791 -3.6731 -3.6717 3.9636 3.9751 5.5404 5.5818 6.8957 7.0036 7.0719 7.2755 7.6308 7.9029 8.0958 8.1849 8.3694 8.6583 9.5308 9.5517 9.7618 9.8217 10.1243 10.1614 10.1878 10.2389 10.6598 10.6797 11.2264 11.2392 11.3391 11.4430 k = 0.5000-0.1554 0.5025 ( 4752 PWs) bands (ev): -68.1446 -68.1446 -37.9161 -37.9160 -36.7129 -36.7129 -36.7126 -36.7126 -4.1499 -4.1490 -4.1466 -4.1434 -3.7114 -3.7102 -3.6816 -3.6789 -3.6733 -3.6719 3.9636 3.9760 5.5729 5.6192 6.8760 6.9818 7.0542 7.2894 7.5887 7.9005 8.0855 8.1894 8.4101 8.6998 9.4927 9.5076 9.7482 9.8199 10.1112 10.1312 10.1674 10.2027 10.6348 10.6600 11.2416 11.2495 11.3402 11.4531 k = 0.5000-0.1443 0.5103 ( 4750 PWs) bands (ev): -68.1443 -68.1443 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1498 -4.1489 -4.1467 -4.1433 -3.7115 -3.7101 -3.6816 -3.6787 -3.6735 -3.6720 3.9638 3.9770 5.6077 5.6592 6.8547 6.9602 7.0336 7.3031 7.5476 7.8997 8.0763 8.1930 8.4523 8.7422 9.4555 9.4631 9.7319 9.8164 10.1015 10.1075 10.1498 10.1722 10.6113 10.6428 11.2555 11.2575 11.3446 11.4661 k = 0.5000-0.1332 0.5182 ( 4746 PWs) bands (ev): -68.1439 -68.1439 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1498 -4.1489 -4.1469 -4.1432 -3.7115 -3.7101 -3.6816 -3.6784 -3.6737 -3.6722 3.9640 3.9779 5.6451 5.7022 6.8307 6.9397 7.0094 7.3163 7.5079 7.9001 8.0679 8.1953 8.4958 8.7854 9.4185 9.4190 9.7121 9.8104 10.0903 10.0927 10.1301 10.1466 10.5882 10.6258 11.2654 11.2669 11.3514 11.4787 k = 0.5000-0.1221 0.5260 ( 4748 PWs) bands (ev): -68.1441 -68.1441 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1497 -4.1488 -4.1471 -4.1431 -3.7115 -3.7100 -3.6816 -3.6782 -3.6739 -3.6724 3.9641 3.9787 5.6843 5.7474 6.8034 6.9204 6.9807 7.3288 7.4705 7.9016 8.0604 8.1963 8.5405 8.8289 9.3754 9.3824 9.6874 9.8015 10.0735 10.0833 10.1090 10.1220 10.5658 10.6090 11.2688 11.2745 11.3572 11.4907 k = 0.5000-0.1110 0.5339 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1497 -4.1487 -4.1472 -4.1431 -3.7115 -3.7099 -3.6816 -3.6779 -3.6741 -3.6725 3.9644 3.9797 5.7255 5.7953 6.7726 6.9039 6.9477 7.3409 7.4364 7.9047 8.0540 8.1961 8.5866 8.8724 9.3347 9.3476 9.6599 9.7908 10.0628 10.0801 10.0939 10.1044 10.5497 10.5990 11.2766 11.2839 11.3649 11.5016 k = 0.5000-0.0999 0.5417 ( 4748 PWs) bands (ev): -68.1441 -68.1441 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1487 -4.1474 -4.1430 -3.7115 -3.7099 -3.6815 -3.6777 -3.6743 -3.6727 3.9644 3.9803 5.7683 5.8453 6.7382 6.8890 6.9095 7.3512 7.4058 7.9075 8.0477 8.1947 8.6333 8.9150 9.2963 9.3127 9.6262 9.7722 10.0502 10.0689 10.0708 10.0856 10.5265 10.5803 11.2766 11.2851 11.3702 11.5095 k = 0.5000-0.0888 0.5496 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1486 -4.1475 -4.1430 -3.7115 -3.7098 -3.6815 -3.6774 -3.6745 -3.6730 3.9647 3.9811 5.8126 5.8975 6.7009 6.8667 6.8767 7.3594 7.3813 7.9120 8.0427 8.1924 8.6810 8.9558 9.2647 9.2811 9.5912 9.7525 10.0433 10.0580 10.0670 10.0742 10.5137 10.5718 11.2810 11.2904 11.3761 11.5175 k = 0.5000-0.0777 0.5574 ( 4738 PWs) bands (ev): -68.1431 -68.1431 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1486 -4.1477 -4.1430 -3.7116 -3.7098 -3.6815 -3.6771 -3.6746 -3.6732 3.9649 3.9818 5.8578 5.9515 6.6611 6.8195 6.8663 7.3515 7.3759 7.9168 8.0382 8.1894 8.7294 8.9921 9.2401 9.2501 9.5526 9.7263 10.0384 10.0460 10.0630 10.0665 10.4998 10.5617 11.2852 11.2948 11.3793 11.5222 k = 0.5000-0.0666 0.5653 ( 4738 PWs) bands (ev): -68.1431 -68.1431 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1494 -4.1485 -4.1478 -4.1429 -3.7116 -3.7097 -3.6814 -3.6769 -3.6748 -3.6734 3.9650 3.9823 5.9034 6.0071 6.6199 6.7687 6.8575 7.3341 7.3828 7.9218 8.0342 8.1859 8.7780 9.0207 9.2222 9.2290 9.5130 9.6950 10.0313 10.0372 10.0570 10.0607 10.4861 10.5511 11.2878 11.2978 11.3840 11.5279 k = 0.5000-0.0555 0.5731 ( 4730 PWs) bands (ev): -68.1423 -68.1423 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1493 -4.1485 -4.1479 -4.1429 -3.7116 -3.7097 -3.6814 -3.6766 -3.6749 -3.6737 3.9651 3.9828 5.9486 6.0637 6.5781 6.7150 6.8502 7.3191 7.3898 7.9269 8.0311 8.1824 8.8267 9.0394 9.1988 9.2360 9.4756 9.6602 10.0241 10.0337 10.0526 10.0574 10.4762 10.5439 11.2897 11.2998 11.3937 11.5379 k = 0.5000-0.0444 0.5810 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1492 -4.1485 -4.1481 -4.1429 -3.7116 -3.7097 -3.6814 -3.6763 -3.6750 -3.6739 3.9652 3.9833 5.9923 6.1208 6.5368 6.6595 6.8445 7.3071 7.3960 7.9318 8.0284 8.1787 8.8748 9.0441 9.1723 9.2554 9.4369 9.6221 10.0192 10.0321 10.0501 10.0554 10.4677 10.5376 11.2925 11.3028 11.3939 11.5389 k = 0.5000-0.0333 0.5888 ( 4734 PWs) bands (ev): -68.1428 -68.1428 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1484 -4.1482 -4.1429 -3.7116 -3.7096 -3.6814 -3.6761 -3.6751 -3.6741 3.9653 3.9836 6.0328 6.1771 6.4979 6.6037 6.8399 7.2981 7.4006 7.9357 8.0263 8.1754 8.9218 9.0417 9.1467 9.2862 9.4026 9.5826 10.0136 10.0290 10.0457 10.0524 10.4602 10.5317 11.2914 11.3017 11.3957 11.5413 k = 0.5000-0.0222 0.5967 ( 4726 PWs) bands (ev): -68.1420 -68.1420 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1491 -4.1484 -4.1483 -4.1428 -3.7116 -3.7096 -3.6813 -3.6758 -3.6752 -3.6744 3.9655 3.9839 6.0674 6.2305 6.4647 6.5507 6.8368 7.2918 7.4042 7.9390 8.0251 8.1728 8.9668 9.0394 9.1209 9.3220 9.3771 9.5438 10.0121 10.0296 10.0442 10.0538 10.4585 10.5312 11.2924 11.3027 11.4009 11.5464 k = 0.5000-0.0111 0.6045 ( 4726 PWs) bands (ev): -68.1420 -68.1420 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1490 -4.1484 -4.1483 -4.1428 -3.7116 -3.7096 -3.6813 -3.6756 -3.6752 -3.6745 3.9655 3.9840 6.0916 6.2744 6.4411 6.5068 6.8349 7.2881 7.4063 7.9411 8.0242 8.1711 9.0077 9.0361 9.0923 9.3539 9.3594 9.5104 10.0103 10.0289 10.0430 10.0530 10.4555 10.5288 11.2929 11.3031 11.4019 11.5476 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1484 -4.1428 -3.7116 -3.7096 -3.6813 -3.6755 -3.6752 -3.6746 3.9655 3.9840 6.1005 6.2935 6.4324 6.4876 6.8342 7.2868 7.4070 7.9417 8.0237 8.1705 9.0324 9.0334 9.0713 9.3518 9.3684 9.4951 10.0084 10.0272 10.0419 10.0506 10.4522 10.5257 11.2929 11.3031 11.3998 11.5457 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1484 -4.1428 -3.7116 -3.7096 -3.6813 -3.6755 -3.6752 -3.6746 3.9655 3.9840 6.1005 6.2935 6.4324 6.4876 6.8342 7.2868 7.4070 7.9417 8.0237 8.1705 9.0324 9.0334 9.0713 9.3518 9.3684 9.4951 10.0084 10.0272 10.0419 10.0506 10.4522 10.5257 11.2929 11.3031 11.3998 11.5457 k = 0.4934 0.0114 0.6124 ( 4729 PWs) bands (ev): -68.1423 -68.1423 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1483 -4.1428 -3.7116 -3.7096 -3.6813 -3.6756 -3.6752 -3.6746 3.9648 3.9834 6.0966 6.2844 6.4364 6.4973 6.8349 7.2877 7.4065 7.9412 8.0239 8.1695 9.0125 9.0315 9.0923 9.3485 9.3654 9.5039 10.0095 10.0281 10.0437 10.0517 10.4535 10.5269 11.2939 11.3052 11.4028 11.5491 k = 0.4868 0.0228 0.6124 ( 4724 PWs) bands (ev): -68.1418 -68.1418 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1490 -4.1485 -4.1482 -4.1429 -3.7116 -3.7096 -3.6813 -3.6757 -3.6752 -3.6744 3.9630 3.9815 6.0858 6.2612 6.4489 6.5211 6.8369 7.2901 7.4054 7.9397 8.0243 8.1667 8.9893 9.0186 9.1235 9.3400 9.3601 9.5248 10.0119 10.0299 10.0496 10.0524 10.4541 10.5269 11.2991 11.3133 11.4101 11.5573 k = 0.4803 0.0342 0.6124 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1486 -4.1481 -4.1429 -3.7116 -3.7096 -3.6813 -3.6759 -3.6752 -3.6743 3.9600 3.9785 6.0696 6.2311 6.4680 6.5516 6.8397 7.2938 7.4030 7.9362 8.0247 8.1619 8.9640 9.0064 9.1466 9.3225 9.3644 9.5488 10.0116 10.0291 10.0499 10.0546 10.4510 10.5229 11.3034 11.3209 11.4206 11.5692 k = 0.4737 0.0456 0.6124 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1486 -4.1479 -4.1429 -3.7116 -3.7096 -3.6813 -3.6761 -3.6753 -3.6741 3.9563 3.9747 6.0498 6.1987 6.4917 6.5850 6.8434 7.2990 7.3998 7.9310 8.0254 8.1556 8.9386 8.9966 9.1584 9.3055 9.3776 9.5715 10.0131 10.0310 10.0495 10.0617 10.4488 10.5197 11.3106 11.3311 11.4381 11.5875 k = 0.4671 0.0570 0.6124 ( 4728 PWs) bands (ev): -68.1421 -68.1421 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1492 -4.1487 -4.1478 -4.1429 -3.7115 -3.7096 -3.6813 -3.6762 -3.6753 -3.6739 3.9521 3.9704 6.0278 6.1660 6.5185 6.6192 6.8480 7.3057 7.3959 7.9240 8.0264 8.1481 8.9141 8.9896 9.1582 9.2946 9.3976 9.5915 10.0169 10.0325 10.0528 10.0673 10.4495 10.5196 11.3192 11.3420 11.4666 11.6153 k = 0.4605 0.0684 0.6124 ( 4732 PWs) bands (ev): -68.1425 -68.1425 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7125 -4.1492 -4.1488 -4.1476 -4.1430 -3.7115 -3.7097 -3.6813 -3.6764 -3.6753 -3.6737 3.9474 3.9656 6.0050 6.1343 6.5471 6.6528 6.8531 7.3135 7.3910 7.9142 8.0271 8.1399 8.8906 8.9837 9.1465 9.2896 9.4204 9.6071 10.0181 10.0343 10.0525 10.0739 10.4444 10.5137 11.3271 11.3513 11.5020 11.6490 k = 0.4539 0.0798 0.6124 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1488 -4.1475 -4.1430 -3.7115 -3.7097 -3.6813 -3.6766 -3.6753 -3.6735 3.9423 3.9604 5.9820 6.1042 6.5767 6.6851 6.8585 7.3224 7.3855 7.9014 8.0275 8.1316 8.8687 8.9800 9.1287 9.2906 9.4444 9.6193 10.0186 10.0379 10.0515 10.0832 10.4371 10.5055 11.3325 11.3581 11.5470 11.6919 k = 0.4474 0.0912 0.6124 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1493 -4.1489 -4.1473 -4.1431 -3.7115 -3.7097 -3.6813 -3.6768 -3.6753 -3.6733 3.9371 3.9552 5.9596 6.0758 6.6067 6.7157 6.8642 7.3323 7.3799 7.8859 8.0277 8.1237 8.8487 8.9766 9.1078 9.2937 9.4674 9.6272 10.0199 10.0402 10.0522 10.0903 10.4302 10.4979 11.3380 11.3650 11.5996 11.7416 k = 0.4408 0.1026 0.6124 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1489 -4.1471 -4.1431 -3.7115 -3.7097 -3.6813 -3.6770 -3.6752 -3.6732 3.9319 3.9499 5.9382 6.0496 6.6368 6.7441 6.8703 7.3419 7.3759 7.8676 8.0277 8.1167 8.8307 8.9746 9.0874 9.3002 9.4899 9.6339 10.0225 10.0464 10.0568 10.1027 10.4238 10.4912 11.3444 11.3728 11.6612 11.7998 k = 0.4342 0.1140 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1490 -4.1470 -4.1432 -3.7114 -3.7098 -3.6813 -3.6772 -3.6752 -3.6730 3.9268 3.9447 5.9181 6.0257 6.6663 6.7699 6.8761 7.3469 7.3773 7.8461 8.0271 8.1107 8.8145 8.9720 9.0680 9.3064 9.5084 9.6357 10.0212 10.0456 10.0566 10.1065 10.4142 10.4813 11.3474 11.3774 11.7261 11.8615 k = 0.4276 0.1253 0.6124 ( 4748 PWs) bands (ev): -68.1441 -68.1441 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1490 -4.1468 -4.1433 -3.7114 -3.7098 -3.6813 -3.6773 -3.6752 -3.6729 3.9219 3.9398 5.8996 6.0039 6.6950 6.7929 6.8816 7.3438 7.3879 7.8219 8.0263 8.1057 8.8001 8.9691 9.0516 9.3144 9.5244 9.6357 10.0205 10.0451 10.0592 10.1115 10.4044 10.4717 11.3488 11.3804 11.7946 11.9267 k = 0.4211 0.1367 0.6124 ( 4745 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1491 -4.1467 -4.1433 -3.7114 -3.7098 -3.6813 -3.6775 -3.6752 -3.6727 3.9175 3.9353 5.8829 5.9847 6.7226 6.8132 6.8868 7.3370 7.4042 7.7958 8.0255 8.1020 8.7877 8.9651 9.0391 9.3233 9.5390 9.6357 10.0223 10.0464 10.0648 10.1171 10.3978 10.4654 11.3524 11.3852 11.8670 11.9939 k = 0.4145 0.1481 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1491 -4.1465 -4.1434 -3.7113 -3.7099 -3.6813 -3.6776 -3.6752 -3.6726 3.9134 3.9312 5.8683 5.9679 6.7485 6.8305 6.8912 7.3289 7.4237 7.7677 8.0245 8.0994 8.7773 8.9596 9.0308 9.3330 9.5511 9.6360 10.0232 10.0477 10.0702 10.1232 10.3912 10.4588 11.3539 11.3878 11.9396 12.0605 k = 0.4079 0.1595 0.6124 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1464 -4.1435 -3.7113 -3.7099 -3.6813 -3.6778 -3.6751 -3.6725 3.9098 3.9276 5.8557 5.9536 6.7724 6.8452 6.8947 7.3209 7.4456 7.7383 8.0235 8.0976 8.7686 8.9526 9.0259 9.3417 9.5610 9.6357 10.0230 10.0479 10.0746 10.1276 10.3842 10.4522 11.3566 11.3912 12.0097 12.1226 k = 0.4013 0.1709 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1492 -4.1463 -4.1435 -3.7113 -3.7099 -3.6813 -3.6779 -3.6751 -3.6724 3.9068 3.9245 5.8452 5.9419 6.7935 6.8571 6.8967 7.3131 7.4694 7.7080 8.0225 8.0961 8.7615 8.9453 9.0232 9.3491 9.5667 9.6336 10.0232 10.0477 10.0773 10.1290 10.3786 10.4467 11.3573 11.3925 12.0726 12.1762 k = 0.3947 0.1823 0.6124 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1462 -4.1436 -3.7113 -3.7099 -3.6813 -3.6780 -3.6751 -3.6724 3.9044 3.9221 5.8371 5.9328 6.8115 6.8669 6.8971 7.3063 7.4948 7.6772 8.0217 8.0952 8.7561 8.9390 9.0224 9.3560 9.5712 9.6332 10.0241 10.0483 10.0809 10.1313 10.3750 10.4432 11.3585 11.3941 12.1277 12.2212 k = 0.3882 0.1937 0.6124 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1461 -4.1436 -3.7113 -3.7099 -3.6813 -3.6780 -3.6751 -3.6723 3.9027 3.9203 5.8312 5.9263 6.8254 6.8751 6.8959 7.3011 7.5215 7.6467 8.0211 8.0946 8.7522 8.9340 9.0223 9.3612 9.5737 9.6328 10.0242 10.0476 10.0824 10.1308 10.3715 10.4398 11.3603 11.3962 12.1708 12.2545 k = 0.3816 0.2051 0.6124 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9016 3.9193 5.8278 5.9224 6.8342 6.8817 6.8929 7.2976 7.5480 7.6177 8.0206 8.0939 8.7498 8.9309 9.0224 9.3646 9.5722 9.6305 10.0243 10.0466 10.0819 10.1289 10.3696 10.4380 11.3608 11.3968 12.1965 12.2728 k = 0.3750 0.2165 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.3750 0.2165 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.3682 0.2126 0.6012 ( 4746 PWs) bands (ev): -68.1440 -68.1440 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1493 -4.1460 -4.1437 -3.7112 -3.7099 -3.6812 -3.6779 -3.6754 -3.6724 3.8868 3.9049 5.8718 5.9746 6.8325 6.8454 6.8691 7.3010 7.5507 7.5676 8.0170 8.0987 8.7644 8.9525 8.9911 9.3171 9.5592 9.6132 10.0156 10.0398 10.0697 10.1150 10.3802 10.4445 11.3670 11.4042 12.2964 12.3718 k = 0.3614 0.2086 0.5901 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1494 -4.1493 -4.1459 -4.1438 -3.7112 -3.7099 -3.6812 -3.6778 -3.6756 -3.6725 3.8701 3.8887 5.9176 6.0286 6.8021 6.8317 6.8461 7.3048 7.5375 7.5382 8.0155 8.1042 8.7569 8.9640 8.9843 9.2801 9.5499 9.5985 10.0090 10.0339 10.0615 10.1042 10.3982 10.4571 11.3744 11.4126 12.3895 12.4667 k = 0.3545 0.2047 0.5790 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1458 -4.1439 -3.7112 -3.7099 -3.6811 -3.6777 -3.6759 -3.6726 3.8510 3.8698 5.9637 6.0822 6.7592 6.8203 6.8319 7.3076 7.5121 7.5252 8.0159 8.1097 8.7276 8.9589 8.9996 9.2586 9.5386 9.5819 10.0005 10.0243 10.0530 10.0914 10.4182 10.4706 11.3785 11.4177 12.4816 12.5605 k = 0.3477 0.2008 0.5678 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1457 -4.1440 -3.7111 -3.7098 -3.6810 -3.6776 -3.6761 -3.6727 3.8292 3.8483 6.0096 6.1347 6.7164 6.7924 6.8354 7.3100 7.4899 7.5142 8.0190 8.1156 8.6871 8.9376 9.0281 9.2550 9.5302 9.5676 9.9941 10.0172 10.0474 10.0825 10.4458 10.4910 11.3861 11.4261 12.5753 12.6558 k = 0.3409 0.1968 0.5567 ( 4758 PWs) bands (ev): -68.1452 -68.1452 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1456 -4.1441 -3.7111 -3.7098 -3.6810 -3.6776 -3.6763 -3.6728 3.8047 3.8239 6.0550 6.1846 6.6744 6.7618 6.8425 7.3119 7.4715 7.5043 8.0249 8.1215 8.6420 8.9033 9.0619 9.2646 9.5194 9.5509 9.9866 10.0085 10.0405 10.0724 10.4775 10.5144 11.3928 11.4335 12.6678 12.7499 k = 0.3341 0.1929 0.5456 ( 4766 PWs) bands (ev): -68.1460 -68.1460 -37.9161 -37.9161 -36.7129 -36.7128 -36.7127 -36.7126 -4.1494 -4.1492 -4.1455 -4.1442 -3.7110 -3.7098 -3.6809 -3.6776 -3.6765 -3.6728 3.7771 3.7964 6.0994 6.2303 6.6342 6.7291 6.8540 7.3138 7.4571 7.4955 8.0340 8.1281 8.5956 8.8615 9.0973 9.2818 9.5122 9.5374 9.9778 10.0020 10.0324 10.0645 10.5118 10.5402 11.4008 11.4422 12.7622 12.8457 k = 0.3273 0.1890 0.5344 ( 4768 PWs) bands (ev): -68.1462 -68.1462 -37.9161 -37.9161 -36.7129 -36.7128 -36.7127 -36.7126 -4.1494 -4.1491 -4.1454 -4.1443 -3.7110 -3.7098 -3.6808 -3.6776 -3.6766 -3.6729 3.7466 3.7658 6.1424 6.2697 6.5973 6.6949 6.8709 7.3155 7.4465 7.4878 8.0469 8.1354 8.5493 8.8167 9.1331 9.3032 9.5097 9.5283 9.9709 9.9980 10.0251 10.0586 10.5534 10.5727 11.4105 11.4525 12.8586 12.9435 k = 0.3205 0.1850 0.5233 ( 4746 PWs) bands (ev): -68.1440 -68.1440 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1494 -4.1490 -4.1453 -4.1444 -3.7109 -3.7098 -3.6808 -3.6777 -3.6767 -3.6730 3.7133 3.7323 6.1838 6.3006 6.5655 6.6598 6.8937 7.3169 7.4399 7.4813 8.0646 8.1438 8.5038 8.7716 9.1699 9.3282 9.5180 9.5294 9.9730 10.0007 10.0259 10.0589 10.6077 10.6178 11.4235 11.4658 12.9593 13.0454 k = 0.3136 0.1811 0.5122 ( 4734 PWs) bands (ev): -68.1428 -68.1428 -37.9161 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1494 -4.1490 -4.1452 -4.1445 -3.7109 -3.7098 -3.6807 -3.6778 -3.6767 -3.6730 3.6767 3.6955 6.2231 6.3202 6.5405 6.6245 6.9227 7.3170 7.4371 7.4761 8.0870 8.1527 8.4594 8.7271 9.2046 9.3526 9.5243 9.5291 9.9714 10.0030 10.0231 10.0583 10.6605 10.6622 11.4391 11.4817 13.0586 13.1458 k = 0.3068 0.1771 0.5010 ( 4738 PWs) bands (ev): -68.1432 -68.1432 -37.9161 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1493 -4.1489 -4.1451 -4.1447 -3.7108 -3.7098 -3.6807 -3.6780 -3.6767 -3.6731 3.6369 3.6553 6.2600 6.3266 6.5239 6.5890 6.9574 7.3151 7.4377 7.4718 8.1140 8.1623 8.4153 8.6825 9.2371 9.3753 9.5271 9.5283 9.9664 10.0021 10.0161 10.0543 10.7069 10.7140 11.4516 11.4945 13.1562 13.2447 k = 0.3000 0.1732 0.4899 ( 4742 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1493 -4.1488 -4.1450 -4.1448 -3.7108 -3.7098 -3.6806 -3.6782 -3.6767 -3.6731 3.5940 3.6121 6.2943 6.3208 6.5154 6.5544 6.9968 7.3111 7.4416 7.4687 8.1464 8.1731 8.3720 8.6397 9.2675 9.3965 9.5291 9.5358 9.9631 10.0024 10.0109 10.0511 10.7540 10.7697 11.4657 11.5088 13.2548 13.3443 k = 0.2932 0.1693 0.4788 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9160 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1493 -4.1488 -4.1449 -4.1449 -3.7108 -3.7098 -3.6806 -3.6784 -3.6767 -3.6732 3.5484 3.5659 6.3065 6.3260 6.5122 6.5213 7.0393 7.3050 7.4481 7.4671 8.1850 8.1855 8.3297 8.5997 9.2983 9.4192 9.5383 9.5506 9.9678 10.0056 10.0137 10.0512 10.8117 10.8355 11.4822 11.5251 13.3553 13.4459 k = 0.2864 0.1653 0.4676 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9160 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1492 -4.1487 -4.1451 -4.1448 -3.7107 -3.7098 -3.6805 -3.6786 -3.6767 -3.6732 3.4998 3.5168 6.2876 6.3548 6.4898 6.5112 7.0828 7.2970 7.4560 7.4670 8.1991 8.2288 8.2881 8.5620 9.3260 9.4388 9.5457 9.5626 9.9712 10.0087 10.0160 10.0519 10.8687 10.9002 11.4973 11.5401 13.4543 13.5458 k = 0.2795 0.1614 0.4565 ( 4726 PWs) bands (ev): -68.1421 -68.1421 -37.9160 -37.9159 -36.7128 -36.7127 -36.7125 -36.7124 -4.1491 -4.1486 -4.1452 -4.1447 -3.7107 -3.7098 -3.6805 -3.6787 -3.6768 -3.6732 3.4485 3.4649 6.2673 6.3806 6.4607 6.5103 7.1251 7.2875 7.4645 7.4688 8.2135 8.2445 8.2823 8.5299 9.3532 9.4593 9.5597 9.5815 9.9740 10.0088 10.0191 10.0515 10.9297 10.9686 11.5171 11.5596 13.5549 13.6473 k = 0.2727 0.1575 0.4454 ( 4734 PWs) bands (ev): -68.1429 -68.1429 -37.9160 -37.9160 -36.7128 -36.7127 -36.7125 -36.7124 -4.1491 -4.1486 -4.1454 -4.1446 -3.7106 -3.7099 -3.6804 -3.6789 -3.6768 -3.6733 3.3946 3.4104 6.2471 6.4026 6.4348 6.5086 7.1640 7.2768 7.4725 7.4728 8.2049 8.2270 8.3378 8.5043 9.3777 9.4772 9.5716 9.5974 9.9739 10.0058 10.0214 10.0507 10.9917 11.0377 11.5365 11.5787 13.6539 13.7471 k = 0.2659 0.1535 0.4342 ( 4732 PWs) bands (ev): -68.1427 -68.1427 -37.9160 -37.9159 -36.7128 -36.7127 -36.7124 -36.7124 -4.1490 -4.1485 -4.1455 -4.1445 -3.7106 -3.7099 -3.6804 -3.6791 -3.6768 -3.6733 3.3387 3.3537 6.2283 6.4045 6.4287 6.5058 7.1977 7.2651 7.4784 7.4805 8.1650 8.2366 8.4002 8.4899 9.4027 9.4964 9.5864 9.6161 9.9841 10.0089 10.0303 10.0516 11.0600 11.1124 11.5582 11.5998 13.7530 13.8470 k = 0.2591 0.1496 0.4231 ( 4724 PWs) bands (ev): -68.1420 -68.1420 -37.9160 -37.9159 -36.7127 -36.7127 -36.7124 -36.7124 -4.1489 -4.1485 -4.1456 -4.1444 -3.7106 -3.7099 -3.6803 -3.6792 -3.6769 -3.6734 3.2808 3.2951 6.2112 6.3842 6.4449 6.5019 7.2249 7.2527 7.4863 7.4871 8.1255 8.2379 8.4682 8.4917 9.4290 9.5187 9.6060 9.6404 9.9971 10.0131 10.0419 10.0538 11.1319 11.1903 11.5832 11.6238 13.8534 13.9480 k = 0.2523 0.1456 0.4120 ( 4732 PWs) bands (ev): -68.1428 -68.1428 -37.9160 -37.9159 -36.7127 -36.7127 -36.7124 -36.7124 -4.1488 -4.1484 -4.1458 -4.1444 -3.7105 -3.7100 -3.6803 -3.6794 -3.6770 -3.6734 3.2210 3.2346 6.1960 6.3646 6.4601 6.4968 7.2395 7.2451 7.4922 7.4953 8.0863 8.2283 8.5115 8.5404 9.4533 9.5390 9.6236 9.6622 10.0053 10.0114 10.0489 10.0506 11.2037 11.2679 11.6092 11.6487 13.9517 14.0469 k = 0.2455 0.1417 0.4008 ( 4730 PWs) bands (ev): -68.1427 -68.1427 -37.9160 -37.9159 -36.7127 -36.7127 -36.7124 -36.7124 -4.1487 -4.1484 -4.1459 -4.1443 -3.7105 -3.7100 -3.6803 -3.6795 -3.6771 -3.6735 3.1598 3.1726 6.1831 6.3473 6.4733 6.4907 7.2262 7.2587 7.4960 7.5048 8.0481 8.2096 8.5496 8.6174 9.4800 9.5643 9.6464 9.6897 10.0125 10.0130 10.0530 10.0567 11.2803 11.3495 11.6400 11.6785 14.0515 14.1471 k = 0.2386 0.1378 0.3897 ( 4726 PWs) bands (ev): -68.1423 -68.1423 -37.9159 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1486 -4.1483 -4.1460 -4.1443 -3.7105 -3.7100 -3.6802 -3.6797 -3.6771 -3.6735 3.0974 3.1094 6.1722 6.3322 6.4839 6.4844 7.2127 7.2666 7.4984 7.5136 8.0105 8.1850 8.6016 8.6980 9.5066 9.5892 9.6683 9.7156 10.0174 10.0284 10.0570 10.0704 11.3584 11.4318 11.6751 11.7126 14.1500 14.2459 k = 0.2318 0.1338 0.3786 ( 4734 PWs) bands (ev): -68.1432 -68.1432 -37.9160 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1485 -4.1483 -4.1461 -4.1442 -3.7105 -3.7101 -3.6802 -3.6798 -3.6773 -3.6736 3.0341 3.0453 6.1633 6.3191 6.4763 6.4934 7.1986 7.2697 7.4994 7.5209 7.9729 8.1565 8.6620 8.7798 9.5313 9.6115 9.6873 9.7380 10.0222 10.0452 10.0605 10.0854 11.4341 11.5105 11.7113 11.7483 14.2466 14.3428 k = 0.2250 0.1299 0.3674 ( 4738 PWs) bands (ev): -68.1436 -68.1436 -37.9159 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1484 -4.1482 -4.1463 -4.1442 -3.7104 -3.7101 -3.6802 -3.6799 -3.6774 -3.6737 2.9701 2.9805 6.1563 6.3081 6.4680 6.5004 7.1846 7.2690 7.4990 7.5262 7.9359 8.1260 8.7300 8.8631 9.5584 9.6372 9.7107 9.7644 10.0275 10.0579 10.0703 10.1012 11.5115 11.5891 11.7530 11.7906 14.3435 14.4397 k = 0.2182 0.1260 0.3563 ( 4742 PWs) bands (ev): -68.1441 -68.1441 -37.9159 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1483 -4.1482 -4.1464 -4.1442 -3.7104 -3.7101 -3.6801 -3.6800 -3.6775 -3.6737 2.9057 2.9154 6.1513 6.2989 6.4593 6.5056 7.1707 7.2651 7.4975 7.5295 7.8998 8.0947 8.8042 8.9474 9.5860 9.6627 9.7352 9.7908 10.0334 10.0644 10.0892 10.1189 11.5890 11.6647 11.8020 11.8427 14.4391 14.5352 k = 0.2114 0.1220 0.3452 ( 4740 PWs) bands (ev): -68.1439 -68.1439 -37.9159 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1481 -4.1481 -4.1465 -4.1442 -3.7104 -3.7102 -3.6801 -3.6801 -3.6776 -3.6738 2.8413 2.8502 6.1480 6.2916 6.4502 6.5092 7.1569 7.2587 7.4950 7.5310 7.8646 8.0631 8.8824 9.0318 9.6161 9.6899 9.7645 9.8204 10.0412 10.0708 10.1143 10.1404 11.6658 11.7356 11.8597 11.9066 14.5341 14.6301 k = 0.2045 0.1181 0.3340 ( 4748 PWs) bands (ev): -68.1448 -68.1448 -37.9159 -37.9159 -36.7127 -36.7126 -36.7124 -36.7124 -4.1481 -4.1480 -4.1466 -4.1442 -3.7104 -3.7102 -3.6802 -3.6801 -3.6778 -3.6739 2.7769 2.7851 6.1462 6.2857 6.4407 6.5110 7.1430 7.2499 7.4913 7.5306 7.8300 8.0313 8.9622 9.1142 9.6443 9.7139 9.7912 9.8457 10.0483 10.0768 10.1396 10.1617 11.7391 11.7993 11.9249 11.9811 14.6265 14.7222 k = 0.1977 0.1142 0.3229 ( 4746 PWs) bands (ev): -68.1446 -68.1446 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1481 -4.1479 -4.1466 -4.1441 -3.7104 -3.7102 -3.6803 -3.6800 -3.6779 -3.6740 2.7130 2.7204 6.1459 6.2814 6.4311 6.5113 7.1297 7.2395 7.4870 7.5289 7.7967 7.9999 9.0440 9.1958 9.6757 9.7403 9.8244 9.8757 10.0581 10.0857 10.1687 10.1862 11.8123 11.8612 12.0010 12.0673 14.7183 14.8135 k = 0.1909 0.1102 0.3118 ( 4748 PWs) bands (ev): -68.1448 -68.1448 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1480 -4.1478 -4.1467 -4.1442 -3.7104 -3.7103 -3.6803 -3.6800 -3.6781 -3.6742 2.6496 2.6564 6.1469 6.2782 6.4212 6.5101 7.1164 7.2274 7.4819 7.5260 7.7642 7.9687 9.1251 9.2738 9.7070 9.7643 9.8583 9.9047 10.0663 10.0924 10.2018 10.2143 11.8839 11.9215 12.0847 12.1605 14.8073 14.9020 k = 0.1841 0.1063 0.3006 ( 4750 PWs) bands (ev): -68.1450 -68.1450 -37.9159 -37.9159 -36.7126 -36.7126 -36.7124 -36.7124 -4.1480 -4.1477 -4.1468 -4.1442 -3.7104 -3.7103 -3.6804 -3.6800 -3.6782 -3.6743 2.5869 2.5931 6.1489 6.2761 6.4113 6.5076 7.1035 7.2141 7.4762 7.5223 7.7329 7.9380 9.2047 9.3481 9.7385 9.7884 9.8947 9.9347 10.0759 10.1019 10.2345 10.2418 11.9570 11.9837 12.1752 12.2595 14.8942 14.9881 k = 0.1773 0.1023 0.2895 ( 4746 PWs) bands (ev): -68.1447 -68.1447 -37.9159 -37.9158 -36.7126 -36.7125 -36.7123 -36.7123 -4.1480 -4.1475 -4.1468 -4.1442 -3.7104 -3.7103 -3.6805 -3.6799 -3.6784 -3.6745 2.5253 2.5309 6.1520 6.2750 6.4013 6.5039 7.0912 7.1998 7.4703 7.5181 7.7028 7.9079 9.2826 9.4187 9.7714 9.8121 9.9355 9.9672 10.0869 10.1129 10.2728 10.2751 12.0336 12.0495 12.2714 12.3631 14.9782 15.0712 k = 0.1705 0.0984 0.2784 ( 4750 PWs) bands (ev): -68.1451 -68.1451 -37.9159 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1480 -4.1474 -4.1469 -4.1442 -3.7104 -3.7103 -3.6805 -3.6799 -3.6785 -3.6746 2.4648 2.4698 6.1559 6.2745 6.3913 6.4989 7.0790 7.1845 7.4638 7.5133 7.6737 7.8781 9.3558 9.4832 9.8021 9.8343 9.9756 9.9977 10.0965 10.1243 10.3064 10.3093 12.1135 12.1188 12.3712 12.4699 15.0574 15.1491 k = 0.1636 0.0945 0.2672 ( 4758 PWs) bands (ev): -68.1459 -68.1459 -37.9159 -37.9158 -36.7126 -36.7125 -36.7123 -36.7123 -4.1479 -4.1473 -4.1469 -4.1443 -3.7104 -3.7104 -3.6806 -3.6799 -3.6787 -3.6748 2.4056 2.4100 6.1604 6.2746 6.3813 6.4927 7.0674 7.1686 7.4570 7.5079 7.6459 7.8489 9.4249 9.5424 9.8309 9.8557 10.0144 10.0257 10.1074 10.1391 10.3355 10.3437 12.1935 12.1995 12.4741 12.5799 15.1303 15.2194 k = 0.1568 0.0905 0.2561 ( 4758 PWs) bands (ev): -68.1459 -68.1459 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1479 -4.1472 -4.1469 -4.1443 -3.7104 -3.7104 -3.6806 -3.6799 -3.6789 -3.6750 2.3479 2.3518 6.1655 6.2752 6.3715 6.4856 7.0565 7.1525 7.4502 7.5026 7.6197 7.8207 9.4912 9.5978 9.8602 9.8767 10.0558 10.0583 10.1196 10.1579 10.3697 10.3822 12.2749 12.2925 12.5804 12.6933 15.1939 15.2767 k = 0.1500 0.0866 0.2449 ( 4759 PWs) bands (ev): -68.1460 -68.1460 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1479 -4.1471 -4.1469 -4.1444 -3.7104 -3.7104 -3.6806 -3.6798 -3.6790 -3.6752 2.2918 2.2952 6.1709 6.2760 6.3619 6.4776 7.0462 7.1362 7.4436 7.4971 7.5949 7.7932 9.5517 9.6476 9.8864 9.8971 10.0843 10.1023 10.1343 10.1825 10.4030 10.4199 12.3623 12.3923 12.6887 12.8095 15.2412 15.3103 k = 0.1432 0.0827 0.2338 ( 4763 PWs) bands (ev): -68.1465 -68.1465 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1479 -4.1470 -4.1470 -4.1444 -3.7105 -3.7104 -3.6806 -3.6798 -3.6792 -3.6754 2.2374 2.2404 6.1766 6.2770 6.3524 6.4687 7.0364 7.1199 7.4369 7.4915 7.5715 7.7663 9.6087 9.6930 9.9112 9.9149 10.1074 10.1430 10.1487 10.2089 10.4381 10.4579 12.4558 12.4988 12.7989 12.9283 15.2635 15.3156 k = 0.1364 0.0787 0.2227 ( 4763 PWs) bands (ev): -68.1465 -68.1465 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1478 -4.1470 -4.1469 -4.1445 -3.7105 -3.7105 -3.6807 -3.6798 -3.6793 -3.6756 2.1849 2.1875 6.1826 6.2782 6.3433 6.4592 7.0273 7.1040 7.4304 7.4860 7.5497 7.7402 9.6616 9.7352 9.9331 9.9348 10.1293 10.1591 10.1917 10.2416 10.4733 10.4952 12.5556 12.6120 12.9117 13.0507 15.2605 15.3027 k = 0.1295 0.0748 0.2115 ( 4765 PWs) bands (ev): -68.1467 -68.1467 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1478 -4.1470 -4.1468 -4.1446 -3.7105 -3.7105 -3.6807 -3.6797 -3.6795 -3.6758 2.1343 2.1366 6.1885 6.2793 6.3344 6.4490 7.0189 7.0884 7.4241 7.4805 7.5294 7.7149 9.7097 9.7735 9.9502 9.9560 10.1489 10.1734 10.2360 10.2770 10.5069 10.5302 12.6611 12.7316 13.0260 13.1758 15.2395 15.2807 k = 0.1227 0.0709 0.2004 ( 4765 PWs) bands (ev): -68.1467 -68.1467 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1478 -4.1470 -4.1467 -4.1446 -3.7105 -3.7105 -3.6807 -3.6797 -3.6796 -3.6760 2.0859 2.0878 6.1944 6.2803 6.3259 6.4383 7.0112 7.0735 7.4181 7.4751 7.5107 7.6904 9.7543 9.8089 9.9661 9.9753 10.1673 10.1875 10.2817 10.3156 10.5406 10.5643 12.7724 12.8575 13.1418 13.3039 15.2086 15.2546 k = 0.1159 0.0669 0.1893 ( 4767 PWs) bands (ev): -68.1468 -68.1468 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1477 -4.1469 -4.1467 -4.1447 -3.7105 -3.7105 -3.6807 -3.6797 -3.6797 -3.6762 2.0396 2.0412 6.2001 6.2810 6.3178 6.4271 7.0042 7.0593 7.4123 7.4697 7.4936 7.6666 9.7949 9.8406 9.9802 9.9922 10.1847 10.2011 10.3273 10.3557 10.5719 10.5952 12.8883 12.9886 13.2580 13.4345 15.1727 15.2270 k = 0.1091 0.0630 0.1781 ( 4771 PWs) bands (ev): -68.1473 -68.1473 -37.9158 -37.9158 -36.7124 -36.7124 -36.7123 -36.7123 -4.1477 -4.1469 -4.1466 -4.1448 -3.7106 -3.7106 -3.6807 -3.6798 -3.6797 -3.6765 1.9955 1.9968 6.2057 6.2816 6.3100 6.4156 6.9978 7.0458 7.4070 7.4643 7.4778 7.6437 9.8307 9.8697 9.9934 10.0060 10.2011 10.2152 10.3712 10.3957 10.6001 10.6231 13.0090 13.1247 13.3752 13.5682 15.1346 15.1999 k = 0.1023 0.0590 0.1670 ( 4771 PWs) bands (ev): -68.1472 -68.1472 -37.9157 -37.9157 -36.7124 -36.7124 -36.7123 -36.7123 -4.1477 -4.1469 -4.1466 -4.1449 -3.7106 -3.7106 -3.6807 -3.6799 -3.6797 -3.6767 1.9538 1.9549 6.2110 6.2819 6.3028 6.4039 6.9921 7.0334 7.4022 7.4594 7.4640 7.6218 9.8649 9.8960 10.0049 10.0195 10.2172 10.2279 10.4168 10.4376 10.6306 10.6520 13.1329 13.2646 13.4919 13.7041 15.0962 15.1746 k = 0.0955 0.0551 0.1559 ( 4767 PWs) bands (ev): -68.1468 -68.1468 -37.9157 -37.9157 -36.7124 -36.7124 -36.7122 -36.7122 -4.1476 -4.1469 -4.1465 -4.1450 -3.7106 -3.7106 -3.6806 -3.6800 -3.6797 -3.6770 1.9144 1.9153 6.2161 6.2822 6.2961 6.3921 6.9872 7.0221 7.3981 7.4517 7.4547 7.6010 9.8982 9.9245 10.0172 10.0316 10.2331 10.2425 10.4609 10.4792 10.6577 10.6782 13.2606 13.4080 13.6099 13.8437 15.0588 15.1527 k = 0.0886 0.0512 0.1447 ( 4767 PWs) bands (ev): -68.1468 -68.1468 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1476 -4.1469 -4.1465 -4.1451 -3.7106 -3.7106 -3.6806 -3.6800 -3.6796 -3.6772 1.8776 1.8783 6.2208 6.2820 6.2899 6.3803 6.9827 7.0117 7.3942 7.4408 7.4500 7.5808 9.9264 9.9479 10.0277 10.0419 10.2485 10.2561 10.5033 10.5194 10.6823 10.7012 13.3891 13.5522 13.7256 13.9843 15.0238 15.1355 k = 0.0818 0.0472 0.1336 ( 4759 PWs) bands (ev): -68.1460 -68.1460 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1475 -4.1468 -4.1464 -4.1452 -3.7107 -3.7106 -3.6806 -3.6801 -3.6796 -3.6774 1.8432 1.8438 6.2253 6.2817 6.2844 6.3688 6.9792 7.0027 7.3913 7.4315 7.4456 7.5619 9.9546 9.9715 10.0406 10.0543 10.2666 10.2724 10.5447 10.5589 10.7059 10.7234 13.5185 13.6966 13.8399 14.1262 14.9929 15.1250 k = 0.0750 0.0433 0.1225 ( 4761 PWs) bands (ev): -68.1462 -68.1462 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1468 -4.1464 -4.1453 -3.7107 -3.7107 -3.6806 -3.6801 -3.6796 -3.6777 1.8114 1.8119 6.2293 6.2793 6.2809 6.3572 6.9757 6.9943 7.3884 7.4235 7.4412 7.5436 9.9767 9.9904 10.0489 10.0616 10.2798 10.2844 10.5840 10.5965 10.7258 10.7417 13.6462 13.8368 13.9518 14.2666 14.9681 15.1229 k = 0.0682 0.0394 0.1113 ( 4761 PWs) bands (ev): -68.1462 -68.1462 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1468 -4.1464 -4.1454 -3.7107 -3.7107 -3.6806 -3.6801 -3.6796 -3.6779 1.7822 1.7826 6.2330 6.2749 6.2800 6.3461 6.9728 6.9871 7.3861 7.4169 7.4370 7.5261 9.9983 10.0089 10.0570 10.0690 10.2929 10.2962 10.6200 10.6311 10.7444 10.7584 13.7716 13.9682 14.0637 14.4025 14.9536 15.1319 k = 0.0614 0.0354 0.1002 ( 4761 PWs) bands (ev): -68.1461 -68.1461 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1473 -4.1468 -4.1464 -4.1455 -3.7107 -3.7107 -3.6805 -3.6801 -3.6796 -3.6782 1.7557 1.7559 6.2363 6.2711 6.2788 6.3352 6.9702 6.9808 7.3844 7.4117 7.4330 7.5096 10.0170 10.0252 10.0642 10.0751 10.3048 10.3071 10.6551 10.6648 10.7609 10.7732 13.8927 14.0817 14.1799 14.5264 14.9571 15.1544 k = 0.0545 0.0315 0.0891 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1472 -4.1467 -4.1463 -4.1456 -3.7107 -3.7107 -3.6805 -3.6801 -3.6797 -3.6784 1.7319 1.7321 6.2396 6.2681 6.2776 6.3250 6.9682 6.9758 7.3840 7.4081 7.4296 7.4946 10.0346 10.0410 10.0734 10.0831 10.3176 10.3193 10.6895 10.6980 10.7787 10.7894 14.0072 14.1727 14.3010 14.6252 14.9921 15.1927 k = 0.0477 0.0276 0.0779 ( 4745 PWs) bands (ev): -68.1444 -68.1444 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1471 -4.1467 -4.1463 -4.1457 -3.7108 -3.7107 -3.6805 -3.6801 -3.6797 -3.6786 1.7108 1.7109 6.2426 6.2659 6.2763 6.3153 6.9664 6.9715 7.3842 7.4057 7.4264 7.4807 10.0512 10.0565 10.0802 10.0885 10.3285 10.3299 10.7224 10.7298 10.7946 10.8039 14.1122 14.2436 14.4201 14.6878 15.0699 15.2480 k = 0.0409 0.0236 0.0668 ( 4729 PWs) bands (ev): -68.1428 -68.1428 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1470 -4.1466 -4.1463 -4.1458 -3.7108 -3.7108 -3.6804 -3.6801 -3.6797 -3.6788 1.6925 1.6926 6.2456 6.2645 6.2750 6.3063 6.9651 6.9683 7.3858 7.4046 7.4237 7.4683 10.0675 10.0712 10.0887 10.0959 10.3404 10.3412 10.7554 10.7616 10.8109 10.8190 14.2041 14.2977 14.5307 14.7230 15.1817 15.3199 k = 0.0341 0.0197 0.0557 ( 4731 PWs) bands (ev): -68.1429 -68.1429 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1469 -4.1466 -4.1464 -4.1459 -3.7108 -3.7108 -3.6804 -3.6800 -3.6797 -3.6790 1.6770 1.6770 6.2483 6.2634 6.2733 6.2977 6.9636 6.9655 7.3869 7.4035 7.4204 7.4556 10.0776 10.0804 10.0930 10.0990 10.3474 10.3479 10.7769 10.7819 10.8195 10.8261 14.2792 14.3376 14.6277 14.7474 15.3090 15.4046 k = 0.0273 0.0157 0.0445 ( 4713 PWs) bands (ev): -68.1410 -68.1410 -37.9156 -37.9156 -36.7121 -36.7121 -36.7120 -36.7120 -4.1468 -4.1466 -4.1464 -4.1460 -3.7108 -3.7108 -3.6803 -3.6800 -3.6797 -3.6792 1.6643 1.6643 6.2513 6.2632 6.2720 6.2901 6.9628 6.9637 7.3902 7.4046 7.4185 7.4453 10.0900 10.0922 10.0996 10.1043 10.3563 10.3567 10.8072 10.8111 10.8320 10.8371 14.3356 14.3664 14.7085 14.7716 15.4393 15.4982 k = 0.0205 0.0118 0.0334 ( 4713 PWs) bands (ev): -68.1410 -68.1410 -37.9156 -37.9156 -36.7121 -36.7121 -36.7120 -36.7120 -4.1467 -4.1465 -4.1464 -4.1461 -3.7108 -3.7108 -3.6802 -3.6799 -3.6797 -3.6794 1.6543 1.6543 6.2543 6.2633 6.2703 6.2829 6.9618 6.9622 7.3935 7.4049 7.4157 7.4347 10.0968 10.0984 10.1034 10.1068 10.3615 10.3617 10.8207 10.8236 10.8382 10.8420 14.3734 14.3863 14.7704 14.7970 15.5625 15.5935 k = 0.0136 0.0079 0.0223 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1466 -4.1465 -4.1464 -4.1462 -3.7108 -3.7108 -3.6801 -3.6799 -3.6797 -3.6795 1.6473 1.6473 6.2580 6.2642 6.2690 6.2769 6.9617 6.9618 7.3984 7.4072 7.4144 7.4260 10.1082 10.1091 10.1098 10.1123 10.3699 10.3700 10.8403 10.8423 10.8459 10.8483 14.3959 14.3997 14.8129 14.8207 15.6697 15.6819 k = 0.0068 0.0039 0.0111 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1465 -4.1465 -4.1464 -4.1463 -3.7108 -3.7108 -3.6799 -3.6799 -3.6798 -3.6797 1.6430 1.6430 6.2618 6.2650 6.2675 6.2712 6.9612 6.9612 7.4037 7.4084 7.4121 7.4175 10.1111 10.1113 10.1115 10.1125 10.3719 10.3719 10.8472 10.8482 10.8487 10.8499 14.4070 14.4075 14.8369 14.8378 15.7462 15.7490 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1464 -4.1464 -4.1464 -4.1464 -3.7108 -3.7108 -3.6798 -3.6798 -3.6798 -3.6798 1.6416 1.6416 6.2662 6.2662 6.2662 6.2662 6.9610 6.9610 7.4101 7.4101 7.4101 7.4101 10.1122 10.1122 10.1122 10.1122 10.3725 10.3725 10.8500 10.8500 10.8500 10.8500 14.4102 14.4102 14.8443 14.8443 15.7752 15.7752 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1464 -4.1464 -4.1464 -4.1464 -3.7108 -3.7108 -3.6798 -3.6798 -3.6798 -3.6798 1.6416 1.6416 6.2662 6.2662 6.2662 6.2662 6.9610 6.9610 7.4101 7.4101 7.4101 7.4101 10.1122 10.1122 10.1122 10.1122 10.3725 10.3725 10.8500 10.8500 10.8500 10.8500 14.4102 14.4102 14.8443 14.8443 15.7752 15.7752 k = 0.0111 0.0064 0.0045 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1465 -4.1464 -4.1464 -4.1463 -3.7108 -3.7108 -3.6800 -3.6798 -3.6798 -3.6797 1.6430 1.6430 6.2617 6.2662 6.2662 6.2713 6.9612 6.9612 7.4035 7.4103 7.4103 7.4178 10.1112 10.1113 10.1113 10.1126 10.3719 10.3719 10.8478 10.8484 10.8484 10.8495 14.4073 14.4073 14.8374 14.8374 15.7469 15.7469 k = 0.0222 0.0128 0.0091 ( 4693 PWs) bands (ev): -68.1390 -68.1390 -37.9155 -37.9155 -36.7120 -36.7120 -36.7120 -36.7120 -4.1466 -4.1464 -4.1464 -4.1462 -3.7108 -3.7108 -3.6801 -3.6798 -3.6798 -3.6795 1.6472 1.6472 6.2579 6.2665 6.2665 6.2772 6.9617 6.9617 7.3981 7.4107 7.4107 7.4265 10.1086 10.1086 10.1097 10.1124 10.3699 10.3699 10.8430 10.8438 10.8438 10.8465 14.3975 14.3975 14.8169 14.8169 15.6768 15.6768 k = 0.0333 0.0192 0.0136 ( 4711 PWs) bands (ev): -68.1408 -68.1408 -37.9155 -37.9155 -36.7121 -36.7121 -36.7120 -36.7120 -4.1468 -4.1465 -4.1465 -4.1461 -3.7108 -3.7108 -3.6802 -3.6798 -3.6798 -3.6793 1.6543 1.6543 6.2545 6.2667 6.2667 6.2833 6.9622 6.9622 7.3930 7.4100 7.4100 7.4355 10.0997 10.0997 10.1036 10.1077 10.3629 10.3629 10.8287 10.8287 10.8296 10.8349 14.3780 14.3781 14.7844 14.7844 15.5887 15.5887 k = 0.0444 0.0257 0.0181 ( 4723 PWs) bands (ev): -68.1421 -68.1421 -37.9156 -37.9156 -36.7121 -36.7121 -36.7120 -36.7120 -4.1469 -4.1465 -4.1465 -4.1460 -3.7108 -3.7108 -3.6803 -3.6799 -3.6799 -3.6792 1.6641 1.6641 6.2518 6.2670 6.2670 6.2901 6.9629 6.9629 7.3896 7.4105 7.4105 7.4461 10.0895 10.0895 10.0953 10.1007 10.3537 10.3537 10.8164 10.8164 10.8186 10.8258 14.3434 14.3434 14.7438 14.7438 15.4989 15.4989 k = 0.0556 0.0321 0.0227 ( 4729 PWs) bands (ev): -68.1427 -68.1427 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1470 -4.1465 -4.1465 -4.1459 -3.7108 -3.7108 -3.6803 -3.6799 -3.6799 -3.6790 1.6768 1.6768 6.2500 6.2676 6.2676 6.2976 6.9645 6.9645 7.3872 7.4112 7.4112 7.4576 10.0804 10.0804 10.0912 10.0979 10.3473 10.3473 10.7988 10.7988 10.8026 10.8116 14.2860 14.2860 14.7026 14.7026 15.4164 15.4165 k = 0.0667 0.0385 0.0272 ( 4741 PWs) bands (ev): -68.1440 -68.1440 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1470 -4.1465 -4.1465 -4.1458 -3.7108 -3.7108 -3.6804 -3.6799 -3.6799 -3.6788 1.6923 1.6923 6.2488 6.2682 6.2682 6.3055 6.9663 6.9663 7.3858 7.4119 7.4119 7.4699 10.0693 10.0693 10.0831 10.0912 10.3379 10.3379 10.7768 10.7768 10.7826 10.7936 14.1997 14.1997 14.6683 14.6683 15.3445 15.3445 k = 0.0778 0.0449 0.0318 ( 4741 PWs) bands (ev): -68.1440 -68.1440 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1471 -4.1465 -4.1465 -4.1457 -3.7107 -3.7107 -3.6804 -3.6799 -3.6799 -3.6785 1.7106 1.7106 6.2486 6.2689 6.2689 6.3142 6.9690 6.9690 7.3862 7.4140 7.4140 7.4838 10.0561 10.0561 10.0783 10.0879 10.3289 10.3289 10.7585 10.7585 10.7656 10.7783 14.0842 14.0842 14.6448 14.6448 15.2832 15.2832 k = 0.0889 0.0513 0.0363 ( 4747 PWs) bands (ev): -68.1447 -68.1447 -37.9156 -37.9156 -36.7122 -36.7122 -36.7121 -36.7121 -4.1472 -4.1465 -4.1465 -4.1456 -3.7107 -3.7107 -3.6805 -3.6799 -3.6799 -3.6783 1.7316 1.7316 6.2489 6.2695 6.2695 6.3232 6.9720 6.9720 7.3874 7.4158 7.4158 7.4982 10.0416 10.0416 10.0719 10.0830 10.3187 10.3187 10.7333 10.7333 10.7421 10.7566 13.9447 13.9447 14.6308 14.6308 15.2309 15.2309 k = 0.1000 0.0577 0.0408 ( 4753 PWs) bands (ev): -68.1453 -68.1453 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1473 -4.1466 -4.1466 -4.1455 -3.7107 -3.7107 -3.6805 -3.6800 -3.6800 -3.6781 1.7553 1.7553 6.2500 6.2701 6.2701 6.3326 6.9756 6.9756 7.3900 7.4181 7.4181 7.5137 10.0240 10.0240 10.0646 10.0775 10.3064 10.3064 10.7073 10.7073 10.7175 10.7338 13.7878 13.7878 14.6237 14.6237 15.1856 15.1856 k = 0.1111 0.0642 0.0454 ( 4750 PWs) bands (ev): -68.1450 -68.1450 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1466 -4.1466 -4.1454 -3.7107 -3.7107 -3.6804 -3.6800 -3.6800 -3.6778 1.7818 1.7818 6.2518 6.2708 6.2708 6.3424 6.9801 6.9801 7.3944 7.4212 7.4212 7.5307 10.0076 10.0076 10.0577 10.0725 10.2949 10.2949 10.6820 10.6820 10.6941 10.7120 13.6197 13.6197 14.6214 14.6214 15.1459 15.1459 k = 0.1222 0.0706 0.0499 ( 4768 PWs) bands (ev): -68.1469 -68.1469 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1474 -4.1466 -4.1466 -4.1453 -3.7107 -3.7107 -3.6804 -3.6800 -3.6800 -3.6776 1.8108 1.8108 6.2540 6.2708 6.2708 6.3523 6.9845 6.9845 7.3992 7.4237 7.4237 7.5478 9.9809 9.9809 10.0470 10.0637 10.2769 10.2769 10.6491 10.6491 10.6626 10.6821 13.4422 13.4422 14.6215 14.6215 15.1094 15.1094 k = 0.1333 0.0770 0.0544 ( 4762 PWs) bands (ev): -68.1463 -68.1463 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1475 -4.1466 -4.1466 -4.1452 -3.7107 -3.7107 -3.6803 -3.6801 -3.6801 -3.6773 1.8425 1.8425 6.2571 6.2713 6.2713 6.3625 6.9904 6.9904 7.4065 7.4275 7.4275 7.5668 9.9627 9.9627 10.0387 10.0576 10.2637 10.2637 10.6206 10.6206 10.6354 10.6565 13.2625 13.2625 14.6240 14.6240 15.0767 15.0767 k = 0.1444 0.0834 0.0590 ( 4765 PWs) bands (ev): -68.1467 -68.1467 -37.9157 -37.9157 -36.7123 -36.7123 -36.7122 -36.7122 -4.1475 -4.1467 -4.1467 -4.1451 -3.7106 -3.7106 -3.6803 -3.6801 -3.6801 -3.6771 1.8767 1.8767 6.2608 6.2713 6.2713 6.3729 6.9968 6.9968 7.4149 7.4314 7.4314 7.5865 9.9374 9.9374 10.0287 10.0500 10.2466 10.2466 10.5892 10.5892 10.6050 10.6274 13.0791 13.0791 14.6275 14.6275 15.0460 15.0460 k = 0.1556 0.0898 0.0635 ( 4765 PWs) bands (ev): -68.1467 -68.1467 -37.9157 -37.9157 -36.7124 -36.7124 -36.7122 -36.7122 -4.1476 -4.1467 -4.1467 -4.1450 -3.7106 -3.7106 -3.6802 -3.6801 -3.6801 -3.6768 1.9135 1.9135 6.2650 6.2711 6.2711 6.3833 7.0040 7.0040 7.4250 7.4357 7.4357 7.6074 9.9109 9.9109 10.0182 10.0421 10.2288 10.2288 10.5575 10.5575 10.5743 10.5980 12.8953 12.8953 14.6316 14.6316 15.0174 15.0174 k = 0.1667 0.0962 0.0680 ( 4768 PWs) bands (ev): -68.1470 -68.1470 -37.9157 -37.9157 -36.7124 -36.7124 -36.7122 -36.7122 -4.1476 -4.1468 -4.1468 -4.1449 -3.7106 -3.7106 -3.6802 -3.6802 -3.6801 -3.6766 1.9526 1.9526 6.2698 6.2705 6.2705 6.3937 7.0120 7.0120 7.4367 7.4403 7.4403 7.6292 9.8796 9.8796 10.0067 10.0336 10.2087 10.2087 10.5249 10.5249 10.5424 10.5672 12.7113 12.7113 14.6358 14.6358 14.9905 14.9905 k = 0.1778 0.1026 0.0726 ( 4765 PWs) bands (ev): -68.1467 -68.1467 -37.9157 -37.9157 -36.7124 -36.7124 -36.7123 -36.7122 -4.1476 -4.1468 -4.1468 -4.1448 -3.7106 -3.7106 -3.6802 -3.6802 -3.6800 -3.6763 1.9941 1.9941 6.2698 6.2698 6.2751 6.4041 7.0209 7.0209 7.4454 7.4454 7.4499 7.6520 9.8507 9.8507 9.9942 10.0243 10.1887 10.1887 10.4923 10.4923 10.5096 10.5353 12.5307 12.5307 14.6405 14.6405 14.9649 14.9649 k = 0.1889 0.1091 0.0771 ( 4771 PWs) bands (ev): -68.1473 -68.1473 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1468 -4.1468 -4.1448 -3.7105 -3.7105 -3.6802 -3.6802 -3.6798 -3.6761 2.0379 2.0379 6.2686 6.2686 6.2808 6.4142 7.0305 7.0305 7.4503 7.4503 7.4645 7.6755 9.8152 9.8152 9.9799 10.0134 10.1653 10.1653 10.4568 10.4568 10.4739 10.5003 12.3512 12.3512 14.6445 14.6445 14.9405 14.9405 k = 0.2000 0.1155 0.0816 ( 4753 PWs) bands (ev): -68.1455 -68.1455 -37.9158 -37.9158 -36.7124 -36.7124 -36.7122 -36.7122 -4.1476 -4.1469 -4.1469 -4.1447 -3.7105 -3.7105 -3.6803 -3.6803 -3.6797 -3.6758 2.0839 2.0839 6.2674 6.2674 6.2874 6.4245 7.0415 7.0415 7.4564 7.4564 7.4814 7.7008 9.7821 9.7821 9.9710 10.0091 10.1458 10.1458 10.4296 10.4296 10.4444 10.4706 12.1770 12.1770 14.6489 14.6489 14.9183 14.9183 k = 0.2111 0.1219 0.0862 ( 4759 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1469 -4.1469 -4.1446 -3.7105 -3.7105 -3.6803 -3.6803 -3.6795 -3.6756 2.1319 2.1319 6.2657 6.2657 6.2939 6.4340 7.0524 7.0524 7.4620 7.4620 7.4993 7.7261 9.7426 9.7426 9.9510 9.9935 10.1177 10.1177 10.3956 10.3956 10.4096 10.4357 12.0060 12.0060 14.6523 14.6523 14.8959 14.8959 k = 0.2222 0.1283 0.0907 ( 4759 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1470 -4.1470 -4.1446 -3.7105 -3.7105 -3.6804 -3.6804 -3.6793 -3.6753 2.1820 2.1820 6.2636 6.2636 6.3009 6.4434 7.0642 7.0642 7.4679 7.4679 7.5189 7.7525 9.7007 9.7007 9.9327 9.9803 10.0896 10.0896 10.3640 10.3640 10.3759 10.4011 11.8401 11.8401 14.6553 14.6553 14.8749 14.8749 k = 0.2333 0.1347 0.0953 ( 4759 PWs) bands (ev): -68.1461 -68.1461 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1470 -4.1470 -4.1446 -3.7104 -3.7104 -3.6804 -3.6804 -3.6791 -3.6751 2.2338 2.2338 6.2613 6.2613 6.3083 6.4524 7.0767 7.0767 7.4738 7.4738 7.5402 7.7796 9.6558 9.6558 9.9125 9.9659 10.0597 10.0597 10.3332 10.3332 10.3428 10.3666 11.6800 11.6800 14.6576 14.6577 14.8549 14.8549 k = 0.2444 0.1411 0.0998 ( 4750 PWs) bands (ev): -68.1451 -68.1451 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1471 -4.1471 -4.1445 -3.7104 -3.7104 -3.6805 -3.6805 -3.6789 -3.6749 2.2874 2.2874 6.2589 6.2589 6.3162 6.4611 7.0899 7.0899 7.4802 7.4802 7.5632 7.8079 9.6087 9.6087 9.8918 9.9521 10.0289 10.0289 10.3083 10.3083 10.3153 10.3367 11.5269 11.5269 14.6596 14.6596 14.8364 14.8364 k = 0.2556 0.1475 0.1043 ( 4750 PWs) bands (ev): -68.1451 -68.1451 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1476 -4.1471 -4.1471 -4.1445 -3.7104 -3.7104 -3.6805 -3.6805 -3.6787 -3.6747 2.3426 2.3426 6.2561 6.2561 6.3242 6.4691 7.1034 7.1034 7.4860 7.4860 7.5876 7.8364 9.5579 9.5579 9.8683 9.9355 9.9957 9.9957 10.2789 10.2789 10.2833 10.3022 11.3810 11.3810 14.6604 14.6604 14.8188 14.8188 k = 0.2667 0.1540 0.1089 ( 4744 PWs) bands (ev): -68.1445 -68.1445 -37.9158 -37.9158 -36.7125 -36.7125 -36.7123 -36.7123 -4.1475 -4.1472 -4.1472 -4.1445 -3.7104 -3.7104 -3.6806 -3.6806 -3.6785 -3.6745 2.3991 2.3991 6.2534 6.2534 6.3324 6.4767 7.1174 7.1174 7.4918 7.4918 7.6135 7.8657 9.5058 9.5058 9.8419 9.9165 9.9611 9.9611 10.2530 10.2530 10.2553 10.2711 11.2453 11.2453 14.6611 14.6611 14.8026 14.8026 k = 0.2778 0.1604 0.1134 ( 4744 PWs) bands (ev): -68.1445 -68.1445 -37.9158 -37.9158 -36.7126 -36.7126 -36.7123 -36.7123 -4.1475 -4.1472 -4.1472 -4.1444 -3.7103 -3.7103 -3.6806 -3.6806 -3.6782 -3.6743 2.4568 2.4568 6.2504 6.2504 6.3408 6.4836 7.1314 7.1314 7.4971 7.4971 7.6409 7.8955 9.4485 9.4485 9.8129 9.8950 9.9239 9.9239 10.2267 10.2267 10.2279 10.2403 11.1160 11.1160 14.6601 14.6601 14.7875 14.7875 k = 0.2889 0.1668 0.1179 ( 4744 PWs) bands (ev): -68.1444 -68.1444 -37.9158 -37.9158 -36.7126 -36.7126 -36.7123 -36.7123 -4.1474 -4.1473 -4.1473 -4.1444 -3.7103 -3.7103 -3.6807 -3.6807 -3.6780 -3.6741 2.5155 2.5155 6.2473 6.2473 6.3494 6.4900 7.1455 7.1455 7.5019 7.5019 7.6697 7.9258 9.3882 9.3882 9.7817 9.8714 9.8853 9.8853 10.2015 10.2015 10.2024 10.2114 10.9958 10.9958 14.6580 14.6580 14.7739 14.7739 k = 0.3000 0.1732 0.1225 ( 4732 PWs) bands (ev): -68.1432 -68.1432 -37.9158 -37.9158 -36.7126 -36.7126 -36.7123 -36.7123 -4.1474 -4.1474 -4.1474 -4.1444 -3.7103 -3.7103 -3.6807 -3.6807 -3.6777 -3.6739 2.5750 2.5750 6.2444 6.2444 6.3582 6.4959 7.1597 7.1597 7.5063 7.5063 7.7003 7.9569 9.3271 9.3271 9.7494 9.8464 9.8472 9.8472 10.1820 10.1820 10.1842 10.1899 10.8877 10.8877 14.6555 14.6555 14.7627 14.7627 k = 0.3111 0.1796 0.1270 ( 4735 PWs) bands (ev): -68.1435 -68.1435 -37.9159 -37.9159 -36.7126 -36.7126 -36.7123 -36.7123 -4.1474 -4.1474 -4.1473 -4.1444 -3.7103 -3.7103 -3.6807 -3.6807 -3.6775 -3.6737 2.6349 2.6349 6.2412 6.2412 6.3669 6.5011 7.1735 7.1735 7.5093 7.5093 7.7317 7.9878 9.2610 9.2610 9.7145 9.8061 9.8061 9.8183 10.1586 10.1586 10.1623 10.1649 10.7846 10.7846 14.6507 14.6507 14.7520 14.7520 k = 0.3222 0.1860 0.1315 ( 4729 PWs) bands (ev): -68.1428 -68.1428 -37.9159 -37.9159 -36.7126 -36.7126 -36.7123 -36.7123 -4.1475 -4.1475 -4.1472 -4.1445 -3.7103 -3.7103 -3.6808 -3.6808 -3.6772 -3.6736 2.6950 2.6950 6.2383 6.2383 6.3758 6.5057 7.1870 7.1870 7.5115 7.5115 7.7644 8.0189 9.1953 9.1953 9.6783 9.7655 9.7655 9.7880 10.1388 10.1388 10.1453 10.1453 10.6948 10.6948 14.6454 14.6454 14.7438 14.7438 k = 0.3333 0.1925 0.1361 ( 4729 PWs) bands (ev): -68.1428 -68.1428 -37.9159 -37.9159 -36.7126 -36.7126 -36.7123 -36.7123 -4.1475 -4.1475 -4.1471 -4.1445 -3.7103 -3.7103 -3.6808 -3.6808 -3.6770 -3.6735 2.7550 2.7550 6.2355 6.2355 6.3846 6.5096 7.1998 7.1998 7.5121 7.5121 7.7981 8.0499 9.1284 9.1284 9.6408 9.7239 9.7239 9.7556 10.1175 10.1175 10.1250 10.1272 10.6128 10.6128 14.6387 14.6387 14.7368 14.7368 k = 0.3444 0.1989 0.1406 ( 4729 PWs) bands (ev): -68.1428 -68.1428 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1476 -4.1476 -4.1471 -4.1445 -3.7102 -3.7102 -3.6809 -3.6809 -3.6767 -3.6734 2.8144 2.8144 6.2328 6.2328 6.3935 6.5129 7.2119 7.2119 7.5111 7.5111 7.8327 8.0806 9.0620 9.0620 9.6027 9.6824 9.6825 9.7216 10.0972 10.0972 10.1069 10.1107 10.5398 10.5398 14.6313 14.6313 14.7312 14.7312 k = 0.3556 0.2053 0.1452 ( 4735 PWs) bands (ev): -68.1433 -68.1433 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1477 -4.1477 -4.1470 -4.1446 -3.7102 -3.7102 -3.6809 -3.6809 -3.6765 -3.6733 2.8730 2.8730 6.2303 6.2303 6.4022 6.5155 7.2228 7.2228 7.5083 7.5083 7.8680 8.1108 8.9969 8.9970 9.5642 9.6412 9.6412 9.6859 10.0750 10.0750 10.0879 10.0929 10.4735 10.4735 14.6232 14.6232 14.7262 14.7262 k = 0.3667 0.2117 0.1497 ( 4738 PWs) bands (ev): -68.1436 -68.1436 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1477 -4.1477 -4.1469 -4.1446 -3.7102 -3.7102 -3.6810 -3.6810 -3.6762 -3.6732 2.9303 2.9303 6.2281 6.2281 6.4108 6.5176 7.2326 7.2326 7.5038 7.5038 7.9040 8.1403 8.9350 8.9350 9.5261 9.6011 9.6011 9.6496 10.0555 10.0555 10.0722 10.0780 10.4153 10.4153 14.6150 14.6150 14.7223 14.7223 k = 0.3778 0.2181 0.1542 ( 4720 PWs) bands (ev): -68.1417 -68.1417 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1478 -4.1478 -4.1468 -4.1447 -3.7102 -3.7102 -3.6810 -3.6810 -3.6759 -3.6731 2.9859 2.9859 6.2263 6.2263 6.4195 6.5191 7.2410 7.2410 7.4978 7.4978 7.9407 8.1690 8.8775 8.8775 9.4910 9.5642 9.5642 9.6150 10.0485 10.0485 10.0701 10.0763 10.3663 10.3663 14.6080 14.6080 14.7200 14.7200 k = 0.3889 0.2245 0.1588 ( 4720 PWs) bands (ev): -68.1417 -68.1417 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1478 -4.1478 -4.1467 -4.1447 -3.7102 -3.7102 -3.6810 -3.6810 -3.6757 -3.6731 3.0393 3.0393 6.2247 6.2247 6.4279 6.5198 7.2474 7.2474 7.4900 7.4900 7.9775 8.1960 8.8244 8.8244 9.4563 9.5283 9.5283 9.5792 10.0311 10.0311 10.0576 10.0640 10.3226 10.3226 14.6008 14.6008 14.7174 14.7174 k = 0.4000 0.2309 0.1633 ( 4720 PWs) bands (ev): -68.1416 -68.1416 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1478 -4.1478 -4.1466 -4.1448 -3.7102 -3.7102 -3.6810 -3.6810 -3.6754 -3.6731 3.0899 3.0899 6.2235 6.2235 6.4360 6.5200 7.2517 7.2517 7.4812 7.4812 8.0140 8.2210 8.7769 8.7769 9.4222 9.4930 9.4930 9.5424 10.0163 10.0163 10.0478 10.0540 10.2851 10.2851 14.5935 14.5935 14.7155 14.7155 k = 0.4111 0.2374 0.1678 ( 4720 PWs) bands (ev): -68.1416 -68.1416 -37.9159 -37.9159 -36.7128 -36.7128 -36.7123 -36.7123 -4.1479 -4.1479 -4.1465 -4.1449 -3.7102 -3.7102 -3.6811 -3.6811 -3.6752 -3.6731 3.1372 3.1372 6.2226 6.2226 6.4440 6.5196 7.2535 7.2535 7.4719 7.4719 8.0502 8.2437 8.7355 8.7355 9.3906 9.4600 9.4600 9.5062 10.0020 10.0020 10.0382 10.0441 10.2548 10.2548 14.5866 14.5866 14.7143 14.7143 k = 0.4222 0.2438 0.1724 ( 4714 PWs) bands (ev): -68.1409 -68.1409 -37.9159 -37.9159 -36.7127 -36.7127 -36.7123 -36.7123 -4.1479 -4.1479 -4.1464 -4.1449 -3.7102 -3.7102 -3.6811 -3.6811 -3.6750 -3.6731 3.1807 3.1807 6.2221 6.2221 6.4517 6.5186 7.2529 7.2529 7.4629 7.4629 8.0859 8.2634 8.7002 8.7002 9.3632 9.4310 9.4310 9.4722 9.9929 9.9929 10.0342 10.0396 10.2275 10.2275 14.5809 14.5809 14.7088 14.7132 k = 0.4333 0.2502 0.1769 ( 4729 PWs) bands (ev): -68.1424 -68.1424 -37.9160 -37.9160 -36.7128 -36.7128 -36.7123 -36.7123 -4.1480 -4.1480 -4.1463 -4.1450 -3.7102 -3.7102 -3.6811 -3.6811 -3.6748 -3.6731 3.2198 3.2198 6.2216 6.2216 6.4591 6.5169 7.2496 7.2496 7.4546 7.4546 8.1201 8.2795 8.6707 8.6707 9.3355 9.4012 9.4012 9.4358 9.9760 9.9760 10.0217 10.0266 10.2017 10.2017 14.5738 14.5738 14.7018 14.7116 k = 0.4444 0.2566 0.1814 ( 4726 PWs) bands (ev): -68.1421 -68.1421 -37.9160 -37.9160 -36.7128 -36.7128 -36.7123 -36.7123 -4.1480 -4.1480 -4.1462 -4.1451 -3.7102 -3.7102 -3.6811 -3.6811 -3.6745 -3.6732 3.2541 3.2541 6.2216 6.2216 6.4662 6.5148 7.2446 7.2446 7.4479 7.4479 8.1532 8.2917 8.6473 8.6473 9.3154 9.3776 9.3776 9.4043 9.9680 9.9680 10.0176 10.0218 10.1847 10.1847 14.5691 14.5691 14.6974 14.7114 k = 0.4556 0.2630 0.1860 ( 4745 PWs) bands (ev): -68.1440 -68.1440 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1480 -4.1480 -4.1460 -4.1452 -3.7102 -3.7102 -3.6812 -3.6812 -3.6744 -3.6732 3.2827 3.2827 6.2213 6.2213 6.4729 6.5121 7.2382 7.2382 7.4426 7.4426 8.1840 8.2992 8.6287 8.6287 9.2963 9.3544 9.3544 9.3716 9.9554 9.9554 10.0093 10.0128 10.1601 10.1601 14.5631 14.5631 14.6925 14.7087 k = 0.4667 0.2694 0.1905 ( 4739 PWs) bands (ev): -68.1434 -68.1434 -37.9160 -37.9160 -36.7129 -36.7129 -36.7123 -36.7123 -4.1480 -4.1480 -4.1459 -4.1453 -3.7102 -3.7102 -3.6812 -3.6812 -3.6742 -3.6733 3.3056 3.3056 6.2215 6.2215 6.4793 6.5088 7.2319 7.2319 7.4389 7.4389 8.2128 8.3018 8.6153 8.6153 9.2886 9.3406 9.3406 9.3475 9.9511 9.9511 10.0086 10.0113 10.1487 10.1487 14.5610 14.5610 14.6912 14.7042 k = 0.4778 0.2758 0.1951 ( 4748 PWs) bands (ev): -68.1442 -68.1442 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1480 -4.1480 -4.1458 -4.1454 -3.7102 -3.7102 -3.6812 -3.6812 -3.6740 -3.6734 3.3223 3.3223 6.2216 6.2216 6.4853 6.5051 7.2264 7.2264 7.4365 7.4365 8.2384 8.2991 8.6060 8.6060 9.2822 9.3229 9.3265 9.3265 9.9439 9.9439 10.0029 10.0047 10.1400 10.1400 14.5574 14.5574 14.6894 14.6981 k = 0.4889 0.2823 0.1996 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1481 -4.1457 -4.1455 -3.7102 -3.7102 -3.6812 -3.6812 -3.6738 -3.6736 3.3322 3.3322 6.2213 6.2213 6.4910 6.5008 7.2227 7.2227 7.4351 7.4351 8.2603 8.2912 8.6005 8.6005 9.2831 9.3039 9.3181 9.3181 9.9334 9.9334 9.9936 9.9945 10.1277 10.1277 14.5554 14.5554 14.6895 14.6938 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1481 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3356 3.3356 6.2214 6.2214 6.4961 6.4961 7.2214 7.2214 7.4347 7.4347 8.2781 8.2781 8.5988 8.5988 9.2908 9.2908 9.3157 9.3157 9.9325 9.9325 9.9935 9.9935 10.1260 10.1260 14.5550 14.5550 14.6910 14.6910 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1481 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3356 3.3356 6.2214 6.2214 6.4961 6.4961 7.2214 7.2214 7.4347 7.4347 8.2781 8.2781 8.5988 8.5988 9.2908 9.2908 9.3157 9.3157 9.9325 9.9325 9.9935 9.9935 10.1260 10.1260 14.5550 14.5550 14.6910 14.6910 k = 0.5039 0.2774 0.2105 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1480 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3360 3.3371 6.2202 6.2231 6.4962 6.4962 7.2180 7.2247 7.4346 7.4346 8.2781 8.2781 8.5940 8.6005 9.2914 9.2914 9.3127 9.3202 9.9297 9.9359 9.9938 9.9938 10.1236 10.1298 14.4884 14.5128 14.6242 14.6402 k = 0.5078 0.2661 0.2169 ( 4759 PWs) bands (ev): -68.1454 -68.1454 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3383 3.3404 6.2197 6.2253 6.4964 6.4966 7.2143 7.2279 7.4344 7.4345 8.2781 8.2781 8.5863 8.5995 9.2950 9.2952 9.3130 9.3278 9.9302 9.9419 9.9970 9.9975 10.1237 10.1362 14.3684 14.3995 14.5896 14.6125 k = 0.5117 0.2548 0.2233 ( 4751 PWs) bands (ev): -68.1446 -68.1446 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3425 3.3456 6.2201 6.2280 6.4967 6.4973 7.2104 7.2309 7.4338 7.4342 8.2779 8.2780 8.5756 8.5961 9.2988 9.2991 9.3141 9.3361 9.9327 9.9493 10.0020 10.0039 10.1255 10.1442 14.2345 14.2698 14.5510 14.5797 k = 0.5156 0.2436 0.2296 ( 4743 PWs) bands (ev): -68.1438 -68.1438 -37.9160 -37.9160 -36.7129 -36.7129 -36.7123 -36.7123 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6737 -3.6737 3.3485 3.3528 6.2212 6.2310 6.4969 6.4983 7.2061 7.2339 7.4331 7.4341 8.2777 8.2780 8.5620 8.5906 9.3031 9.3035 9.3157 9.3456 9.9353 9.9569 10.0073 10.0095 10.1305 10.1548 14.0956 14.1351 14.5017 14.5362 k = 0.5195 0.2323 0.2360 ( 4751 PWs) bands (ev): -68.1446 -68.1446 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6738 -3.6737 3.3563 3.3616 6.2228 6.2339 6.4971 6.4999 7.2014 7.2368 7.4320 7.4339 8.2772 8.2780 8.5457 8.5832 9.3051 9.3056 9.3160 9.3533 9.9332 9.9591 10.0076 10.0101 10.1318 10.1611 13.9523 13.9962 14.4411 14.4814 k = 0.5234 0.2210 0.2424 ( 4749 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1455 -4.1455 -3.7103 -3.7101 -3.6811 -3.6810 -3.6738 -3.6737 3.3660 3.3723 6.2253 6.2367 6.4973 6.5021 7.1962 7.2397 7.4309 7.4340 8.2766 8.2782 8.5270 8.5748 9.3094 9.3096 9.3199 9.3636 9.9346 9.9648 10.0115 10.0129 10.1397 10.1727 13.8080 13.8565 14.3727 14.4185 k = 0.5273 0.2097 0.2488 ( 4746 PWs) bands (ev): -68.1441 -68.1441 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1455 -4.1454 -3.7103 -3.7100 -3.6810 -3.6810 -3.6738 -3.6738 3.3774 3.3847 6.2284 6.2390 6.4973 6.5052 7.1904 7.2426 7.4298 7.4346 8.2757 8.2787 8.5062 8.5660 9.3145 9.3153 9.3256 9.3758 9.9372 9.9702 10.0158 10.0172 10.1478 10.1842 13.6635 13.7163 14.2971 14.3478 k = 0.5312 0.1985 0.2552 ( 4749 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1485 -4.1481 -4.1455 -4.1454 -3.7104 -3.7100 -3.6810 -3.6809 -3.6739 -3.6738 3.3905 3.3987 6.2320 6.2406 6.4972 6.5091 7.1839 7.2454 7.4288 7.4355 8.2742 8.2795 8.4835 8.5572 9.3181 9.3192 9.3309 9.3879 9.9382 9.9737 10.0185 10.0186 10.1568 10.1954 13.5183 13.5754 14.2142 14.2695 k = 0.5352 0.1872 0.2615 ( 4747 PWs) bands (ev): -68.1442 -68.1442 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1486 -4.1481 -4.1455 -4.1453 -3.7104 -3.7100 -3.6810 -3.6808 -3.6740 -3.6738 3.4052 3.4144 6.2361 6.2412 6.4971 6.5142 7.1766 7.2483 7.4280 7.4370 8.2722 8.2809 8.4594 8.5491 9.3216 9.3263 9.3391 9.3997 9.9418 9.9791 10.0229 10.0236 10.1677 10.2083 13.3731 13.4342 14.1279 14.1872 k = 0.5391 0.1759 0.2679 ( 4739 PWs) bands (ev): -68.1434 -68.1434 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1486 -4.1482 -4.1455 -4.1452 -3.7104 -3.7100 -3.6809 -3.6807 -3.6740 -3.6738 3.4217 3.4317 6.2407 6.2407 6.4968 6.5205 7.1685 7.2513 7.4276 7.4391 8.2694 8.2828 8.4343 8.5427 9.3256 9.3341 9.3480 9.4119 9.9471 9.9890 10.0268 10.0328 10.1834 10.2244 13.2295 13.2943 14.0381 14.1010 k = 0.5430 0.1646 0.2743 ( 4747 PWs) bands (ev): -68.1442 -68.1442 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1487 -4.1482 -4.1455 -4.1451 -3.7105 -3.7100 -3.6809 -3.6806 -3.6741 -3.6738 3.4395 3.4504 6.2385 6.2451 6.4966 6.5282 7.1595 7.2545 7.4276 7.4415 8.2654 8.2852 8.4083 8.5378 9.3271 9.3401 9.3547 9.4216 9.9472 9.9911 10.0252 10.0346 10.1957 10.2368 13.0856 13.1538 13.9442 14.0103 k = 0.5469 0.1534 0.2807 ( 4745 PWs) bands (ev): -68.1440 -68.1440 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1488 -4.1483 -4.1455 -4.1451 -3.7105 -3.7099 -3.6809 -3.6804 -3.6742 -3.6738 3.4588 3.4705 6.2347 6.2494 6.4966 6.5373 7.1495 7.2578 7.4282 7.4447 8.2602 8.2882 8.3825 8.5361 9.3305 9.3497 9.3647 9.4332 9.9501 9.9956 10.0263 10.0393 10.2109 10.2517 12.9455 13.0164 13.8498 13.9186 k = 0.5508 0.1421 0.2870 ( 4740 PWs) bands (ev): -68.1435 -68.1435 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1488 -4.1484 -4.1455 -4.1450 -3.7105 -3.7099 -3.6808 -3.6803 -3.6743 -3.6737 3.4794 3.4919 6.2290 6.2533 6.4970 6.5480 7.1386 7.2614 7.4296 7.4483 8.2536 8.2909 8.3581 8.5375 9.3329 9.3590 9.3742 9.4439 9.9569 10.0010 10.0316 10.0453 10.2271 10.2679 12.8081 12.8813 13.7536 13.8249 k = 0.5547 0.1308 0.2934 ( 4738 PWs) bands (ev): -68.1432 -68.1432 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1484 -4.1455 -4.1449 -3.7106 -3.7099 -3.6808 -3.6802 -3.6744 -3.6737 3.5013 3.5146 6.2214 6.2562 6.4981 6.5601 7.1267 7.2653 7.4317 7.4522 8.2456 8.2896 8.3389 8.5421 9.3328 9.3684 9.3834 9.4522 9.9612 10.0082 10.0335 10.0526 10.2431 10.2835 12.6730 12.7479 13.6568 13.7301 k = 0.5586 0.1195 0.2998 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1485 -4.1455 -4.1448 -3.7106 -3.7099 -3.6808 -3.6800 -3.6745 -3.6737 3.5243 3.5382 6.2116 6.2577 6.5003 6.5738 7.1139 7.2696 7.4346 7.4565 8.2364 8.2772 8.3326 8.5501 9.3306 9.3792 9.3945 9.4594 9.9655 10.0144 10.0353 10.0592 10.2594 10.2993 12.5411 12.6171 13.5606 13.6356 k = 0.5625 0.1083 0.3062 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1490 -4.1486 -4.1455 -4.1447 -3.7107 -3.7099 -3.6808 -3.6798 -3.6746 -3.6736 3.5482 3.5629 6.1999 6.2573 6.5040 6.5888 7.1001 7.2741 7.4383 7.4609 8.2261 8.2554 8.3380 8.5618 9.3259 9.3884 9.4046 9.4650 9.9697 10.0194 10.0371 10.0646 10.2762 10.3159 12.4132 12.4896 13.4640 13.5405 k = 0.5664 0.0970 0.3126 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7124 -4.1490 -4.1487 -4.1455 -4.1446 -3.7107 -3.7099 -3.6808 -3.6797 -3.6747 -3.6736 3.5731 3.5883 6.1861 6.2546 6.5096 6.6051 7.0855 7.2789 7.4428 7.4654 8.2150 8.2305 8.3495 8.5771 9.3196 9.3967 9.4145 9.4706 9.9747 10.0227 10.0398 10.0684 10.2928 10.3323 12.2911 12.3672 13.3677 13.4454 k = 0.5703 0.0857 0.3189 ( 4740 PWs) bands (ev): -68.1434 -68.1434 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1491 -4.1487 -4.1455 -4.1445 -3.7107 -3.7099 -3.6808 -3.6795 -3.6748 -3.6735 3.5986 3.6144 6.1704 6.2491 6.5175 6.6225 7.0702 7.2839 7.4481 7.4700 8.2035 8.2049 8.3647 8.5957 9.3098 9.4031 9.4242 9.4750 9.9772 10.0255 10.0402 10.0719 10.3077 10.3474 12.1737 12.2490 13.2723 13.3510 k = 0.5742 0.0744 0.3253 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1491 -4.1488 -4.1456 -4.1444 -3.7108 -3.7098 -3.6808 -3.6793 -3.6749 -3.6734 3.6246 3.6409 6.1529 6.2406 6.5279 6.6410 7.0544 7.2890 7.4541 7.4747 8.1799 8.1917 8.3832 8.6179 9.2981 9.4077 9.4336 9.4799 9.9798 10.0254 10.0401 10.0726 10.3239 10.3635 12.0633 12.1370 13.1779 13.2573 k = 0.5781 0.0631 0.3317 ( 4746 PWs) bands (ev): -68.1440 -68.1440 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1489 -4.1456 -4.1444 -3.7108 -3.7098 -3.6808 -3.6791 -3.6750 -3.6733 3.6510 3.6677 6.1336 6.2289 6.5408 6.6604 7.0379 7.2940 7.4609 7.4795 8.1555 8.1801 8.4049 8.6426 9.2817 9.4091 9.4449 9.4858 9.9827 10.0298 10.0414 10.0781 10.3379 10.3784 11.9574 12.0291 13.0863 13.1662 k = 0.5820 0.0519 0.3381 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1490 -4.1456 -4.1443 -3.7109 -3.7098 -3.6809 -3.6789 -3.6751 -3.6733 3.6775 3.6946 6.1128 6.2143 6.5565 6.6806 7.0213 7.2986 7.4683 7.4846 8.1327 8.1689 8.4297 8.6707 9.2644 9.4079 9.4560 9.4941 9.9873 10.0327 10.0446 10.0825 10.3514 10.3929 11.8620 11.9308 12.9963 13.0765 k = 0.5859 0.0406 0.3445 ( 4739 PWs) bands (ev): -68.1432 -68.1432 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1490 -4.1456 -4.1442 -3.7109 -3.7098 -3.6809 -3.6787 -3.6752 -3.6732 3.7040 3.7214 6.0905 6.1968 6.5747 6.7015 7.0046 7.3027 7.4763 7.4901 8.1116 8.1582 8.4577 8.7015 9.2441 9.4033 9.4673 9.5041 9.9925 10.0351 10.0486 10.0870 10.3657 10.4084 11.7751 11.8405 12.9087 12.9890 k = 0.5898 0.0293 0.3508 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1491 -4.1457 -4.1441 -3.7110 -3.7098 -3.6809 -3.6786 -3.6753 -3.6731 3.7301 3.7478 6.0668 6.1765 6.5952 6.7227 6.9877 7.3061 7.4847 7.4960 8.0921 8.1482 8.4885 8.7342 9.2200 9.3947 9.4794 9.5160 9.9971 10.0371 10.0523 10.0912 10.3772 10.4213 11.6952 11.7569 12.8240 12.9042 k = 0.5938 0.0180 0.3572 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1493 -4.1492 -4.1457 -4.1441 -3.7110 -3.7098 -3.6810 -3.6784 -3.6754 -3.6730 3.7556 3.7736 6.0420 6.1538 6.6181 6.7442 6.9710 7.3085 7.4934 7.5027 8.0747 8.1389 8.5222 8.7685 9.1931 9.3832 9.4904 9.5280 10.0012 10.0387 10.0560 10.0953 10.3856 10.4318 11.6248 11.6826 12.7416 12.8215 k = 0.5977 0.0068 0.3636 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1493 -4.1492 -4.1458 -4.1440 -3.7110 -3.7098 -3.6810 -3.6782 -3.6755 -3.6729 3.7802 3.7984 6.0162 6.1288 6.6429 6.7655 6.9544 7.3097 7.5022 7.5101 8.0593 8.1302 8.5580 8.8032 9.1628 9.3689 9.5001 9.5396 10.0027 10.0383 10.0573 10.0978 10.3896 10.4380 11.5603 11.6143 12.6614 12.7410 k = 0.6016-0.0045 0.3700 ( 4743 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1493 -4.1493 -4.1458 -4.1439 -3.7111 -3.7098 -3.6810 -3.6781 -3.6755 -3.6728 3.8036 3.8219 5.9895 6.1020 6.6697 6.7866 6.9383 7.3099 7.5113 7.5186 8.0463 8.1225 8.5958 8.8380 9.1308 9.3539 9.5117 9.5534 10.0041 10.0382 10.0592 10.1010 10.3910 10.4422 11.5059 11.5562 12.5854 12.6644 k = 0.6055-0.0158 0.3764 ( 4743 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1493 -4.1493 -4.1459 -4.1439 -3.7111 -3.7099 -3.6811 -3.6780 -3.6755 -3.6727 3.8256 3.8439 5.9623 6.0736 6.6985 6.8072 6.9228 7.3092 7.5205 7.5283 8.0359 8.1159 8.6349 8.8714 9.0979 9.3397 9.5250 9.5692 10.0064 10.0378 10.0611 10.1032 10.3908 10.4450 11.4616 11.5083 12.5139 12.5923 k = 0.6094-0.0271 0.3827 ( 4750 PWs) bands (ev): -68.1443 -68.1443 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1459 -4.1438 -3.7112 -3.7099 -3.6811 -3.6780 -3.6755 -3.6726 3.8457 3.8640 5.9347 6.0440 6.7288 6.8269 6.9080 7.3074 7.5296 7.5392 8.0278 8.1099 8.6738 8.9008 9.0652 9.3281 9.5349 9.5819 10.0059 10.0369 10.0621 10.1068 10.3852 10.4425 11.4248 11.4684 12.4443 12.5219 k = 0.6133-0.0383 0.3891 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1459 -4.1438 -3.7112 -3.7099 -3.6812 -3.6779 -3.6755 -3.6725 3.8637 3.8819 5.9071 6.0136 6.7605 6.8453 6.8943 7.3050 7.5386 7.5517 8.0225 8.1047 8.7100 8.9242 9.0359 9.3225 9.5452 9.5954 10.0101 10.0377 10.0650 10.1096 10.3830 10.4433 11.3970 11.4379 12.3787 12.4554 k = 0.6172-0.0496 0.3955 ( 4744 PWs) bands (ev): -68.1437 -68.1437 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1493 -4.1460 -4.1437 -3.7112 -3.7099 -3.6812 -3.6780 -3.6754 -3.6724 3.8793 3.8974 5.8796 5.9827 6.7927 6.8623 6.8826 7.3024 7.5477 7.5659 8.0197 8.1006 8.7391 8.9380 9.0147 9.3258 9.5560 9.6089 10.0160 10.0415 10.0710 10.1160 10.3804 10.4440 11.3785 11.4172 12.3178 12.3934 k = 0.6211-0.0609 0.4019 ( 4748 PWs) bands (ev): -68.1442 -68.1442 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1493 -4.1460 -4.1437 -3.7112 -3.7099 -3.6812 -3.6780 -3.6752 -3.6723 3.8919 3.9098 5.8526 5.9516 6.8224 6.8756 6.8771 7.2994 7.5565 7.5817 8.0190 8.0968 8.7537 8.9397 9.0082 9.3400 9.5637 9.6195 10.0191 10.0426 10.0744 10.1201 10.3740 10.4403 11.3651 11.4023 12.2594 12.3340 k = 0.6250-0.0722 0.4082 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.6250-0.0722 0.4082 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.6184-0.0684 0.4190 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9016 3.9193 5.8278 5.9224 6.8342 6.8817 6.8929 7.2976 7.5480 7.6177 8.0206 8.0939 8.7498 8.9309 9.0224 9.3646 9.5722 9.6305 10.0243 10.0466 10.0819 10.1289 10.3696 10.4380 11.3608 11.3968 12.1965 12.2728 k = 0.6118-0.0646 0.4297 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1461 -4.1436 -3.7113 -3.7099 -3.6813 -3.6780 -3.6751 -3.6723 3.9027 3.9203 5.8312 5.9263 6.8254 6.8751 6.8959 7.3011 7.5215 7.6467 8.0211 8.0946 8.7522 8.9340 9.0223 9.3612 9.5737 9.6328 10.0242 10.0476 10.0824 10.1308 10.3715 10.4398 11.3603 11.3962 12.1708 12.2545 k = 0.6053-0.0608 0.4405 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1462 -4.1436 -3.7113 -3.7099 -3.6813 -3.6780 -3.6751 -3.6724 3.9044 3.9221 5.8371 5.9328 6.8115 6.8669 6.8971 7.3063 7.4948 7.6772 8.0217 8.0952 8.7561 8.9390 9.0224 9.3560 9.5712 9.6332 10.0241 10.0483 10.0809 10.1313 10.3750 10.4432 11.3585 11.3941 12.1277 12.2212 k = 0.5987-0.0570 0.4512 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1492 -4.1463 -4.1435 -3.7113 -3.7099 -3.6813 -3.6779 -3.6751 -3.6724 3.9068 3.9245 5.8452 5.9419 6.7935 6.8571 6.8967 7.3131 7.4694 7.7080 8.0225 8.0961 8.7615 8.9453 9.0232 9.3491 9.5667 9.6336 10.0232 10.0477 10.0773 10.1290 10.3786 10.4467 11.3573 11.3925 12.0726 12.1762 k = 0.5921-0.0532 0.4620 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1495 -4.1492 -4.1464 -4.1435 -3.7113 -3.7099 -3.6813 -3.6778 -3.6751 -3.6725 3.9098 3.9276 5.8557 5.9536 6.7724 6.8452 6.8947 7.3209 7.4456 7.7383 8.0235 8.0976 8.7686 8.9526 9.0259 9.3417 9.5610 9.6357 10.0230 10.0479 10.0746 10.1276 10.3842 10.4522 11.3566 11.3912 12.0097 12.1226 k = 0.5855-0.0494 0.4727 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1491 -4.1465 -4.1434 -3.7113 -3.7099 -3.6813 -3.6776 -3.6752 -3.6726 3.9134 3.9312 5.8683 5.9679 6.7485 6.8305 6.8912 7.3289 7.4237 7.7677 8.0245 8.0994 8.7773 8.9596 9.0308 9.3330 9.5511 9.6360 10.0232 10.0477 10.0702 10.1231 10.3912 10.4588 11.3539 11.3878 11.9396 12.0605 k = 0.5789-0.0456 0.4835 ( 4745 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1491 -4.1467 -4.1433 -3.7114 -3.7098 -3.6813 -3.6775 -3.6752 -3.6727 3.9175 3.9353 5.8829 5.9847 6.7226 6.8132 6.8868 7.3370 7.4042 7.7958 8.0255 8.1020 8.7877 8.9651 9.0391 9.3233 9.5390 9.6357 10.0223 10.0464 10.0648 10.1171 10.3978 10.4654 11.3524 11.3852 11.8670 11.9939 k = 0.5724-0.0418 0.4942 ( 4748 PWs) bands (ev): -68.1441 -68.1441 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1490 -4.1468 -4.1433 -3.7114 -3.7098 -3.6813 -3.6773 -3.6752 -3.6729 3.9219 3.9398 5.8996 6.0039 6.6950 6.7929 6.8816 7.3438 7.3879 7.8219 8.0263 8.1057 8.8001 8.9691 9.0516 9.3144 9.5244 9.6357 10.0205 10.0451 10.0592 10.1115 10.4044 10.4717 11.3488 11.3804 11.7946 11.9267 k = 0.5658-0.0380 0.5049 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1490 -4.1470 -4.1432 -3.7114 -3.7098 -3.6813 -3.6772 -3.6752 -3.6730 3.9268 3.9447 5.9181 6.0257 6.6663 6.7699 6.8761 7.3469 7.3773 7.8461 8.0271 8.1107 8.8145 8.9720 9.0680 9.3064 9.5084 9.6357 10.0212 10.0456 10.0566 10.1065 10.4142 10.4813 11.3474 11.3774 11.7261 11.8615 k = 0.5592-0.0342 0.5157 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1489 -4.1471 -4.1431 -3.7115 -3.7097 -3.6813 -3.6770 -3.6752 -3.6732 3.9319 3.9499 5.9382 6.0496 6.6368 6.7441 6.8703 7.3419 7.3759 7.8676 8.0277 8.1167 8.8307 8.9746 9.0874 9.3002 9.4899 9.6339 10.0225 10.0464 10.0568 10.1027 10.4238 10.4913 11.3444 11.3728 11.6612 11.7998 k = 0.5526-0.0304 0.5264 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1493 -4.1489 -4.1473 -4.1431 -3.7115 -3.7097 -3.6813 -3.6768 -3.6753 -3.6733 3.9371 3.9552 5.9596 6.0758 6.6067 6.7157 6.8642 7.3323 7.3799 7.8859 8.0277 8.1237 8.8487 8.9766 9.1078 9.2937 9.4674 9.6272 10.0199 10.0402 10.0522 10.0903 10.4302 10.4979 11.3380 11.3650 11.5996 11.7416 k = 0.5461-0.0266 0.5372 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1488 -4.1475 -4.1430 -3.7115 -3.7097 -3.6813 -3.6766 -3.6753 -3.6735 3.9423 3.9604 5.9820 6.1042 6.5767 6.6851 6.8585 7.3224 7.3855 7.9014 8.0275 8.1316 8.8687 8.9800 9.1287 9.2906 9.4444 9.6193 10.0186 10.0379 10.0515 10.0832 10.4371 10.5055 11.3325 11.3581 11.5470 11.6919 k = 0.5395-0.0228 0.5479 ( 4732 PWs) bands (ev): -68.1425 -68.1425 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7125 -4.1492 -4.1488 -4.1476 -4.1430 -3.7115 -3.7097 -3.6813 -3.6764 -3.6753 -3.6737 3.9474 3.9656 6.0050 6.1343 6.5471 6.6528 6.8531 7.3135 7.3910 7.9142 8.0271 8.1399 8.8906 8.9837 9.1465 9.2896 9.4204 9.6071 10.0181 10.0343 10.0525 10.0739 10.4445 10.5137 11.3271 11.3513 11.5020 11.6490 k = 0.5329-0.0190 0.5587 ( 4728 PWs) bands (ev): -68.1421 -68.1421 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1492 -4.1487 -4.1478 -4.1429 -3.7115 -3.7096 -3.6813 -3.6762 -3.6753 -3.6739 3.9521 3.9704 6.0278 6.1660 6.5185 6.6192 6.8480 7.3057 7.3959 7.9240 8.0264 8.1481 8.9141 8.9896 9.1582 9.2946 9.3976 9.5915 10.0169 10.0325 10.0528 10.0673 10.4495 10.5196 11.3192 11.3420 11.4666 11.6153 k = 0.5263-0.0152 0.5694 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1486 -4.1479 -4.1429 -3.7116 -3.7096 -3.6813 -3.6761 -3.6753 -3.6741 3.9563 3.9747 6.0498 6.1987 6.4917 6.5850 6.8434 7.2990 7.3998 7.9310 8.0254 8.1556 8.9386 8.9966 9.1584 9.3055 9.3776 9.5715 10.0131 10.0310 10.0495 10.0617 10.4488 10.5197 11.3106 11.3311 11.4381 11.5875 k = 0.5197-0.0114 0.5801 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1486 -4.1481 -4.1429 -3.7116 -3.7096 -3.6813 -3.6759 -3.6752 -3.6743 3.9600 3.9785 6.0696 6.2311 6.4680 6.5516 6.8397 7.2938 7.4030 7.9362 8.0247 8.1619 8.9640 9.0064 9.1466 9.3225 9.3644 9.5488 10.0116 10.0291 10.0499 10.0546 10.4510 10.5229 11.3034 11.3209 11.4206 11.5692 k = 0.5132-0.0076 0.5909 ( 4724 PWs) bands (ev): -68.1418 -68.1418 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1490 -4.1485 -4.1482 -4.1429 -3.7116 -3.7096 -3.6813 -3.6757 -3.6752 -3.6744 3.9630 3.9815 6.0858 6.2612 6.4489 6.5211 6.8369 7.2901 7.4054 7.9397 8.0243 8.1667 8.9893 9.0186 9.1235 9.3400 9.3601 9.5248 10.0119 10.0299 10.0496 10.0524 10.4541 10.5269 11.2991 11.3133 11.4101 11.5573 k = 0.5066-0.0038 0.6016 ( 4729 PWs) bands (ev): -68.1423 -68.1423 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1483 -4.1428 -3.7116 -3.7096 -3.6813 -3.6756 -3.6752 -3.6746 3.9648 3.9834 6.0966 6.2844 6.4364 6.4973 6.8349 7.2877 7.4065 7.9412 8.0239 8.1695 9.0125 9.0315 9.0923 9.3485 9.3654 9.5039 10.0095 10.0281 10.0437 10.0517 10.4535 10.5269 11.2939 11.3052 11.4028 11.5491 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1484 -4.1428 -3.7116 -3.7096 -3.6813 -3.6755 -3.6752 -3.6746 3.9655 3.9840 6.1005 6.2935 6.4324 6.4876 6.8342 7.2868 7.4070 7.9417 8.0237 8.1705 9.0324 9.0334 9.0713 9.3518 9.3684 9.4951 10.0084 10.0272 10.0419 10.0506 10.4522 10.5257 11.2929 11.3031 11.3998 11.5457 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1484 -4.1484 -4.1428 -3.7116 -3.7096 -3.6813 -3.6755 -3.6752 -3.6746 3.9655 3.9840 6.1005 6.2935 6.4324 6.4876 6.8342 7.2868 7.4070 7.9417 8.0237 8.1705 9.0324 9.0334 9.0713 9.3518 9.3684 9.4951 10.0084 10.0272 10.0419 10.0506 10.4522 10.5257 11.2929 11.3031 11.3998 11.5457 k = 0.5000 0.0078 0.6013 ( 4730 PWs) bands (ev): -68.1424 -68.1424 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1485 -4.1483 -4.1428 -3.7116 -3.7096 -3.6813 -3.6756 -3.6752 -3.6746 3.9640 3.9826 6.1012 6.2939 6.4312 6.4894 6.8351 7.2874 7.4068 7.9415 8.0237 8.1679 8.9989 9.0504 9.0878 9.3365 9.3780 9.4977 10.0093 10.0278 10.0457 10.0507 10.4520 10.5253 11.2960 11.3084 11.4041 11.5509 k = 0.5000 0.0156 0.5903 ( 4726 PWs) bands (ev): -68.1420 -68.1420 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1485 -4.1482 -4.1429 -3.7116 -3.7096 -3.6813 -3.6757 -3.6751 -3.6746 3.9596 3.9782 6.1033 6.2950 6.4278 6.4941 6.8378 7.2891 7.4062 7.9405 8.0236 8.1605 8.9597 9.0578 9.1187 9.3093 9.3896 9.5038 10.0115 10.0295 10.0511 10.0550 10.4524 10.5249 11.3040 11.3218 11.4168 11.5663 k = 0.5000 0.0234 0.5793 ( 4732 PWs) bands (ev): -68.1426 -68.1426 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1490 -4.1486 -4.1480 -4.1429 -3.7116 -3.7096 -3.6813 -3.6759 -3.6751 -3.6745 3.9523 3.9709 6.1067 6.2967 6.4229 6.5008 6.8421 7.2918 7.4048 7.9382 8.0236 8.1489 8.9181 9.0651 9.1479 9.2768 9.3998 9.5102 10.0101 10.0282 10.0493 10.0612 10.4494 10.5204 11.3151 11.3405 11.4365 11.5908 k = 0.5000 0.0312 0.5682 ( 4732 PWs) bands (ev): -68.1425 -68.1425 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1491 -4.1486 -4.1479 -4.1429 -3.7115 -3.7096 -3.6813 -3.6761 -3.6750 -3.6745 3.9423 3.9609 6.1114 6.2991 6.4174 6.5089 6.8480 7.2954 7.4029 7.9338 8.0241 8.1343 8.8763 9.0723 9.1731 9.2454 9.4105 9.5169 10.0103 10.0339 10.0467 10.0760 10.4453 10.5144 11.3317 11.3663 11.4653 11.6266 k = 0.5000 0.0390 0.5572 ( 4726 PWs) bands (ev): -68.1419 -68.1419 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1491 -4.1487 -4.1478 -4.1429 -3.7115 -3.7096 -3.6813 -3.6762 -3.6750 -3.6744 3.9297 3.9483 6.1172 6.3021 6.4119 6.5180 6.8559 7.2999 7.4007 7.9269 8.0258 8.1183 8.8345 9.0757 9.1814 9.2311 9.4216 9.5217 10.0117 10.0411 10.0469 10.0906 10.4438 10.5106 11.3572 11.4023 11.5020 11.6727 k = 0.5000 0.0468 0.5462 ( 4728 PWs) bands (ev): -68.1421 -68.1421 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1492 -4.1487 -4.1476 -4.1430 -3.7115 -3.7096 -3.6812 -3.6764 -3.6750 -3.6743 3.9146 3.9332 6.1239 6.3056 6.4065 6.5274 6.8652 7.3052 7.3978 7.9159 8.0288 8.1028 8.7927 9.0660 9.1719 9.2424 9.4322 9.5223 10.0112 10.0446 10.0461 10.1000 10.4401 10.5044 11.3866 11.4432 11.5452 11.7278 k = 0.5000 0.0546 0.5351 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7126 -4.1492 -4.1487 -4.1475 -4.1431 -3.7114 -3.7096 -3.6812 -3.6767 -3.6749 -3.6743 3.8972 3.9158 6.1314 6.3093 6.4013 6.5369 6.8759 7.3110 7.3939 7.8996 8.0333 8.0896 8.7518 9.0385 9.1725 9.2596 9.4429 9.5204 10.0078 10.0415 10.0489 10.1089 10.4325 10.4940 11.4204 11.4890 11.5972 11.7932 k = 0.5000 0.0624 0.5241 ( 4738 PWs) bands (ev): -68.1431 -68.1431 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1492 -4.1487 -4.1474 -4.1431 -3.7114 -3.7096 -3.6812 -3.6769 -3.6749 -3.6742 3.8778 3.8964 6.1394 6.3132 6.3967 6.5460 6.8878 7.3171 7.3891 7.8779 8.0398 8.0797 8.7119 8.9992 9.1827 9.2771 9.4531 9.5188 10.0047 10.0378 10.0557 10.1189 10.4252 10.4837 11.4562 11.5369 11.6583 11.8687 k = 0.5000 0.0702 0.5131 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1487 -4.1472 -4.1432 -3.7114 -3.7096 -3.6812 -3.6771 -3.6749 -3.6742 3.8566 3.8752 6.1477 6.3169 6.3930 6.5547 6.9011 7.3236 7.3836 7.8517 8.0481 8.0738 8.6732 8.9553 9.1976 9.2916 9.4619 9.5132 10.0030 10.0359 10.0596 10.1249 10.4180 10.4736 11.4992 11.5916 11.7271 11.9524 k = 0.5000 0.0780 0.5020 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7127 -36.7126 -36.7126 -4.1493 -4.1487 -4.1471 -4.1433 -3.7113 -3.7097 -3.6811 -3.6773 -3.6748 -3.6741 3.8339 3.8524 6.1563 6.3199 6.3908 6.5632 6.9157 7.3302 7.3777 7.8220 8.0583 8.0721 8.6362 8.9107 9.2149 9.3055 9.4704 9.5084 10.0015 10.0342 10.0644 10.1303 10.4105 10.4634 11.5513 11.6550 11.8049 12.0450 k = 0.5000 0.0858 0.4910 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7128 -36.7127 -36.7126 -36.7125 -4.1493 -4.1487 -4.1470 -4.1433 -3.7112 -3.7097 -3.6811 -3.6776 -3.6748 -3.6741 3.8100 3.8283 6.1649 6.3220 6.3903 6.5708 6.9312 7.3368 7.3712 7.7900 8.0703 8.0740 8.6008 8.8665 9.2328 9.3182 9.4779 9.5039 10.0016 10.0342 10.0698 10.1357 10.4034 10.4536 11.6086 11.7228 11.8911 12.1453 k = 0.5000 0.0936 0.4800 ( 4732 PWs) bands (ev): -68.1425 -68.1425 -37.9161 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1493 -4.1487 -4.1468 -4.1434 -3.7112 -3.7097 -3.6810 -3.6778 -3.6748 -3.6741 3.7849 3.8030 6.1734 6.3224 6.3918 6.5773 6.9475 7.3428 7.3644 7.7569 8.0790 8.0839 8.5670 8.8236 9.2501 9.3293 9.4833 9.4994 9.9996 10.0326 10.0722 10.1373 10.3932 10.4409 11.6711 11.7952 11.9845 12.2522 k = 0.5000 0.1014 0.4689 ( 4738 PWs) bands (ev): -68.1431 -68.1431 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1493 -4.1486 -4.1467 -4.1435 -3.7111 -3.7097 -3.6810 -3.6780 -3.6747 -3.6740 3.7589 3.7769 6.1815 6.3212 6.3953 6.5825 6.9642 7.3465 7.3590 7.7234 8.0864 8.0989 8.5351 8.7828 9.2658 9.3366 9.4827 9.4953 9.9938 10.0275 10.0708 10.1349 10.3805 10.4264 11.7375 11.8708 12.0836 12.3642 k = 0.5000 0.1092 0.4579 ( 4740 PWs) bands (ev): -68.1434 -68.1434 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1493 -4.1486 -4.1466 -4.1436 -3.7111 -3.7097 -3.6810 -3.6783 -3.6747 -3.6740 3.7324 3.7501 6.1894 6.3186 6.4006 6.5863 6.9813 7.3430 7.3602 7.6907 8.0961 8.1155 8.5050 8.7446 9.2807 9.3424 9.4760 9.4954 9.9906 10.0253 10.0688 10.1313 10.3690 10.4130 11.8102 11.9520 12.1886 12.4810 k = 0.5000 0.1170 0.4469 ( 4738 PWs) bands (ev): -68.1432 -68.1432 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1493 -4.1486 -4.1464 -4.1437 -3.7110 -3.7097 -3.6809 -3.6785 -3.6746 -3.6740 3.7055 3.7230 6.1968 6.3147 6.4073 6.5887 6.9987 7.3352 7.3651 7.6593 8.1078 8.1338 8.4770 8.7091 9.2944 9.3491 9.4698 9.4966 9.9875 10.0237 10.0669 10.1278 10.3560 10.3987 11.8891 12.0385 12.3008 12.6038 k = 0.5000 0.1248 0.4358 ( 4738 PWs) bands (ev): -68.1432 -68.1432 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1493 -4.1486 -4.1463 -4.1439 -3.7110 -3.7097 -3.6809 -3.6787 -3.6746 -3.6740 3.6786 3.6956 6.2038 6.3100 6.4150 6.5896 7.0161 7.3266 7.3706 7.6295 8.1210 8.1537 8.4510 8.6767 9.3065 9.3517 9.4594 9.4966 9.9845 10.0226 10.0630 10.1221 10.3430 10.3847 11.9746 12.1306 12.4162 12.7289 k = 0.5000 0.1326 0.4248 ( 4740 PWs) bands (ev): -68.1434 -68.1434 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1485 -4.1462 -4.1440 -3.7109 -3.7098 -3.6809 -3.6789 -3.6745 -3.6740 3.6516 3.6683 6.2103 6.3047 6.4231 6.5888 7.0332 7.3178 7.3759 7.6017 8.1352 8.1750 8.4268 8.6473 9.3163 9.3544 9.4505 9.4952 9.9791 10.0196 10.0580 10.1154 10.3278 10.3688 12.0644 12.2263 12.5365 12.8576 k = 0.5000 0.1404 0.4138 ( 4742 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1485 -4.1461 -4.1441 -3.7108 -3.7098 -3.6809 -3.6792 -3.6745 -3.6740 3.6249 3.6411 6.2162 6.2989 6.4314 6.5865 7.0500 7.3090 7.3811 7.5763 8.1500 8.1977 8.4048 8.6212 9.3239 9.3547 9.4396 9.4920 9.9753 10.0180 10.0523 10.1078 10.3134 10.3539 12.1593 12.3261 12.6596 12.9880 k = 0.5000 0.1482 0.4027 ( 4742 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1485 -4.1460 -4.1442 -3.7108 -3.7098 -3.6809 -3.6794 -3.6744 -3.6740 3.5986 3.6144 6.2216 6.2928 6.4396 6.5826 7.0664 7.3006 7.3860 7.5532 8.1651 8.2216 8.3850 8.5986 9.3299 9.3557 9.4303 9.4877 9.9707 10.0161 10.0470 10.1006 10.2982 10.3384 12.2594 12.4301 12.7865 13.1209 k = 0.5000 0.1560 0.3917 ( 4746 PWs) bands (ev): -68.1441 -68.1441 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1491 -4.1484 -4.1459 -4.1443 -3.7107 -3.7098 -3.6809 -3.6796 -3.6744 -3.6740 3.5729 3.5881 6.2264 6.2865 6.4476 6.5774 7.0821 7.2925 7.3906 7.5326 8.1802 8.2466 8.3670 8.5793 9.3336 9.3544 9.4196 9.4820 9.9654 10.0129 10.0398 10.0915 10.2814 10.3216 12.3647 12.5383 12.9148 13.2540 k = 0.5000 0.1638 0.3807 ( 4744 PWs) bands (ev): -68.1439 -68.1439 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7124 -4.1491 -4.1484 -4.1459 -4.1444 -3.7107 -3.7099 -3.6808 -3.6798 -3.6743 -3.6739 3.5480 3.5626 6.2306 6.2801 6.4552 6.5711 7.0971 7.2850 7.3951 7.5144 8.1950 8.2726 8.3512 8.5638 9.3360 9.3536 9.4101 9.4754 9.9625 10.0114 10.0348 10.0841 10.2667 10.3071 12.4753 12.6506 13.0454 13.3880 k = 0.5000 0.1716 0.3696 ( 4748 PWs) bands (ev): -68.1443 -68.1443 -37.9161 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1490 -4.1484 -4.1458 -4.1446 -3.7106 -3.7099 -3.6809 -3.6799 -3.6742 -3.6739 3.5239 3.5378 6.2341 6.2737 6.4622 6.5639 7.1113 7.2782 7.3994 7.4984 8.2090 8.2991 8.3373 8.5517 9.3368 9.3520 9.4001 9.4678 9.9570 10.0051 10.0277 10.0737 10.2495 10.2903 12.5905 12.7665 13.1766 13.5210 k = 0.5000 0.1794 0.3586 ( 4744 PWs) bands (ev): -68.1439 -68.1439 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1483 -4.1457 -4.1447 -3.7106 -3.7099 -3.6809 -3.6801 -3.6742 -3.6739 3.5009 3.5142 6.2370 6.2676 6.4686 6.5561 7.1246 7.2719 7.4035 7.4847 8.2219 8.3234 8.3282 8.5434 9.3364 9.3500 9.3906 9.4586 9.9555 10.0034 10.0254 10.0671 10.2358 10.2771 12.7100 12.8855 13.3085 13.6527 k = 0.5000 0.1872 0.3476 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1483 -4.1457 -4.1448 -3.7105 -3.7099 -3.6809 -3.6803 -3.6741 -3.6739 3.4791 3.4916 6.2390 6.2617 6.4743 6.5481 7.1370 7.2664 7.4075 7.4731 8.2337 8.3149 8.3541 8.5390 9.3361 9.3483 9.3822 9.4503 9.9550 10.0012 10.0254 10.0622 10.2224 10.2642 12.8351 13.0088 13.4399 13.7819 k = 0.5000 0.1951 0.3365 ( 4742 PWs) bands (ev): -68.1437 -68.1437 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1488 -4.1482 -4.1456 -4.1449 -3.7105 -3.7099 -3.6809 -3.6804 -3.6741 -3.6739 3.4584 3.4702 6.2399 6.2560 6.4793 6.5399 7.1483 7.2613 7.4112 7.4634 8.2436 8.3062 8.3810 8.5373 9.3322 9.3429 9.3711 9.4380 9.9494 9.9958 10.0208 10.0527 10.2067 10.2483 12.9614 13.1322 13.5684 13.9061 k = 0.5000 0.2029 0.3255 ( 4742 PWs) bands (ev): -68.1437 -68.1437 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1487 -4.1482 -4.1456 -4.1450 -3.7105 -3.7100 -3.6809 -3.6805 -3.6740 -3.6739 3.4392 3.4501 6.2397 6.2513 6.4835 6.5321 7.1586 7.2569 7.4147 7.4553 8.2521 8.2991 8.4079 8.5390 9.3269 9.3365 9.3591 9.4259 9.9483 9.9931 10.0215 10.0480 10.1923 10.2344 13.0922 13.2588 13.6937 14.0244 k = 0.5000 0.2107 0.3145 ( 4738 PWs) bands (ev): -68.1433 -68.1433 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1487 -4.1481 -4.1456 -4.1451 -3.7104 -3.7100 -3.6809 -3.6807 -3.6739 -3.6738 3.4214 3.4314 6.2380 6.2475 6.4871 6.5249 7.1679 7.2529 7.4182 7.4490 8.2590 8.2934 8.4343 8.5436 9.3247 9.3332 9.3514 9.4150 9.9455 9.9886 10.0197 10.0410 10.1814 10.2226 13.2273 13.3882 13.8178 14.1380 k = 0.5000 0.2185 0.3034 ( 4740 PWs) bands (ev): -68.1435 -68.1435 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1486 -4.1481 -4.1456 -4.1452 -3.7104 -3.7100 -3.6810 -3.6808 -3.6739 -3.6738 3.4051 3.4142 6.2351 6.2447 6.4900 6.5183 7.1762 7.2493 7.4213 7.4440 8.2644 8.2888 8.4596 8.5499 9.3205 9.3278 9.3419 9.4020 9.9423 9.9835 10.0178 10.0342 10.1688 10.2090 13.3641 13.5180 13.9365 14.2428 k = 0.5000 0.2263 0.2924 ( 4744 PWs) bands (ev): -68.1439 -68.1439 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1485 -4.1481 -4.1456 -4.1453 -3.7104 -3.7100 -3.6810 -3.6809 -3.6739 -3.6738 3.3904 3.3986 6.2315 6.2423 6.4923 6.5126 7.1836 7.2460 7.4242 7.4403 8.2686 8.2853 8.4837 8.5577 9.3162 9.3229 9.3331 9.3896 9.9387 9.9752 10.0143 10.0264 10.1573 10.1960 13.5039 13.6491 14.0495 14.3378 k = 0.5000 0.2341 0.2814 ( 4746 PWs) bands (ev): -68.1441 -68.1441 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1456 -4.1454 -3.7103 -3.7100 -3.6810 -3.6809 -3.6738 -3.6738 3.3773 3.3845 6.2281 6.2397 6.4940 6.5078 7.1902 7.2428 7.4268 7.4377 8.2718 8.2826 8.5064 8.5664 9.3122 9.3183 9.3256 9.3774 9.9354 9.9697 10.0111 10.0197 10.1481 10.1840 13.6458 13.7806 14.1563 14.4221 k = 0.5000 0.2419 0.2703 ( 4740 PWs) bands (ev): -68.1435 -68.1435 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1456 -4.1454 -3.7103 -3.7101 -3.6811 -3.6810 -3.6738 -3.6738 3.3659 3.3722 6.2252 6.2370 6.4952 6.5040 7.1961 7.2398 7.4291 7.4360 8.2741 8.2808 8.5273 8.5754 9.3096 9.3161 9.3208 9.3680 9.9362 9.9663 10.0111 10.0172 10.1416 10.1745 13.7905 13.9132 14.2557 14.4943 k = 0.5000 0.2497 0.2593 ( 4740 PWs) bands (ev): -68.1435 -68.1435 -37.9160 -37.9160 -36.7129 -36.7129 -36.7123 -36.7123 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6737 -3.6737 3.3563 3.3616 6.2229 6.2341 6.4959 6.5011 7.2014 7.2369 7.4310 7.4350 8.2758 8.2796 8.5459 8.5836 9.3059 9.3105 9.3173 9.3568 9.9359 9.9616 10.0092 10.0138 10.1361 10.1649 13.9348 14.0436 14.3459 14.5526 k = 0.5000 0.2575 0.2483 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9160 -37.9160 -36.7129 -36.7129 -36.7123 -36.7123 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6737 -3.6737 3.3485 3.3527 6.2211 6.2310 6.4963 6.4990 7.2061 7.2339 7.4325 7.4346 8.2769 8.2788 8.5621 8.5907 9.3019 9.3047 9.3147 9.3462 9.9347 9.9562 10.0062 10.0093 10.1304 10.1546 14.0790 14.1719 14.4260 14.5964 k = 0.5000 0.2653 0.2372 ( 4752 PWs) bands (ev): -68.1447 -68.1447 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3424 3.3456 6.2201 6.2280 6.4964 6.4975 7.2104 7.2309 7.4336 7.4345 8.2776 8.2784 8.5756 8.5961 9.2981 9.2992 9.3131 9.3361 9.9324 9.9492 10.0016 10.0036 10.1254 10.1441 14.2215 14.2966 14.4958 14.6257 k = 0.5000 0.2731 0.2262 ( 4758 PWs) bands (ev): -68.1453 -68.1453 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3383 3.3404 6.2197 6.2253 6.4963 6.4967 7.2143 7.2279 7.4343 7.4346 8.2780 8.2782 8.5863 8.5995 9.2952 9.2953 9.3132 9.3279 9.9308 9.9424 9.9974 9.9983 10.1238 10.1363 14.3607 14.4153 14.5565 14.6416 k = 0.5000 0.2809 0.2152 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1480 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3360 3.3371 6.2202 6.2231 6.4962 6.4962 7.2180 7.2247 7.4346 7.4346 8.2781 8.2781 8.5941 8.6005 9.2914 9.2914 9.3127 9.3202 9.9297 9.9359 9.9938 9.9938 10.1236 10.1298 14.4867 14.5165 14.6142 14.6496 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1481 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3356 3.3356 6.2214 6.2214 6.4961 6.4961 7.2214 7.2214 7.4347 7.4347 8.2781 8.2781 8.5988 8.5988 9.2908 9.2908 9.3157 9.3157 9.9325 9.9325 9.9935 9.9935 10.1260 10.1260 14.5550 14.5550 14.6910 14.6910 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1481 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3356 3.3356 6.2214 6.2214 6.4961 6.4961 7.2214 7.2214 7.4347 7.4347 8.2781 8.2781 8.5988 8.5988 9.2908 9.2908 9.3157 9.3157 9.9325 9.9325 9.9935 9.9935 10.1260 10.1260 14.5550 14.5550 14.6910 14.6910 k = 0.4961 0.2864 0.2169 ( 4766 PWs) bands (ev): -68.1461 -68.1461 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1481 -4.1480 -4.1456 -4.1456 -3.7102 -3.7102 -3.6812 -3.6812 -3.6737 -3.6737 3.3360 3.3371 6.2202 6.2231 6.4962 6.4962 7.2180 7.2247 7.4346 7.4346 8.2781 8.2781 8.5940 8.6005 9.2914 9.2914 9.3127 9.3202 9.9297 9.9359 9.9938 9.9938 10.1236 10.1298 14.4884 14.5128 14.6242 14.6402 k = 0.4922 0.2842 0.2296 ( 4759 PWs) bands (ev): -68.1454 -68.1454 -37.9160 -37.9160 -36.7130 -36.7130 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3383 3.3404 6.2197 6.2253 6.4964 6.4966 7.2143 7.2279 7.4344 7.4345 8.2781 8.2781 8.5863 8.5995 9.2950 9.2952 9.3130 9.3278 9.9302 9.9419 9.9970 9.9975 10.1237 10.1362 14.3684 14.3995 14.5896 14.6125 k = 0.4883 0.2819 0.2424 ( 4751 PWs) bands (ev): -68.1446 -68.1446 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1482 -4.1480 -4.1456 -4.1456 -3.7102 -3.7101 -3.6812 -3.6812 -3.6737 -3.6737 3.3425 3.3456 6.2201 6.2280 6.4967 6.4973 7.2104 7.2309 7.4338 7.4342 8.2779 8.2780 8.5756 8.5961 9.2988 9.2991 9.3141 9.3361 9.9327 9.9493 10.0020 10.0039 10.1255 10.1442 14.2345 14.2698 14.5510 14.5797 k = 0.4844 0.2797 0.2552 ( 4743 PWs) bands (ev): -68.1438 -68.1438 -37.9160 -37.9160 -36.7129 -36.7129 -36.7123 -36.7123 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6737 -3.6737 3.3485 3.3528 6.2212 6.2310 6.4969 6.4983 7.2061 7.2339 7.4331 7.4341 8.2777 8.2780 8.5620 8.5906 9.3031 9.3035 9.3157 9.3456 9.9353 9.9569 10.0073 10.0095 10.1305 10.1548 14.0956 14.1351 14.5017 14.5362 k = 0.4805 0.2774 0.2679 ( 4751 PWs) bands (ev): -68.1446 -68.1446 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1483 -4.1480 -4.1456 -4.1455 -3.7103 -3.7101 -3.6811 -3.6811 -3.6738 -3.6737 3.3563 3.3616 6.2228 6.2339 6.4971 6.4999 7.2014 7.2368 7.4320 7.4339 8.2772 8.2780 8.5457 8.5832 9.3051 9.3056 9.3160 9.3533 9.9332 9.9591 10.0076 10.0101 10.1318 10.1611 13.9523 13.9962 14.4411 14.4814 k = 0.4766 0.2751 0.2807 ( 4749 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1455 -4.1455 -3.7103 -3.7101 -3.6811 -3.6810 -3.6738 -3.6737 3.3660 3.3723 6.2253 6.2367 6.4973 6.5021 7.1962 7.2397 7.4309 7.4340 8.2766 8.2782 8.5270 8.5748 9.3094 9.3096 9.3199 9.3636 9.9346 9.9648 10.0115 10.0129 10.1397 10.1727 13.8080 13.8565 14.3727 14.4185 k = 0.4727 0.2729 0.2934 ( 4746 PWs) bands (ev): -68.1441 -68.1441 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1484 -4.1480 -4.1455 -4.1454 -3.7103 -3.7100 -3.6810 -3.6810 -3.6738 -3.6738 3.3774 3.3847 6.2284 6.2390 6.4973 6.5052 7.1904 7.2426 7.4298 7.4346 8.2757 8.2787 8.5062 8.5660 9.3145 9.3153 9.3256 9.3758 9.9372 9.9702 10.0158 10.0172 10.1478 10.1842 13.6635 13.7163 14.2971 14.3478 k = 0.4688 0.2706 0.3062 ( 4749 PWs) bands (ev): -68.1444 -68.1444 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1485 -4.1481 -4.1455 -4.1454 -3.7104 -3.7100 -3.6810 -3.6809 -3.6739 -3.6738 3.3905 3.3987 6.2320 6.2406 6.4972 6.5091 7.1839 7.2454 7.4288 7.4355 8.2742 8.2795 8.4835 8.5572 9.3181 9.3192 9.3309 9.3879 9.9382 9.9737 10.0185 10.0186 10.1568 10.1954 13.5183 13.5754 14.2142 14.2695 k = 0.4648 0.2684 0.3189 ( 4747 PWs) bands (ev): -68.1442 -68.1442 -37.9160 -37.9160 -36.7129 -36.7129 -36.7124 -36.7124 -4.1486 -4.1481 -4.1455 -4.1453 -3.7104 -3.7100 -3.6810 -3.6808 -3.6740 -3.6738 3.4052 3.4144 6.2362 6.2412 6.4971 6.5142 7.1766 7.2483 7.4280 7.4370 8.2722 8.2809 8.4594 8.5491 9.3216 9.3263 9.3391 9.3997 9.9418 9.9791 10.0229 10.0236 10.1677 10.2083 13.3731 13.4342 14.1279 14.1872 k = 0.4609 0.2661 0.3317 ( 4739 PWs) bands (ev): -68.1434 -68.1434 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1486 -4.1482 -4.1455 -4.1452 -3.7104 -3.7100 -3.6809 -3.6807 -3.6740 -3.6738 3.4217 3.4317 6.2407 6.2407 6.4968 6.5205 7.1685 7.2513 7.4276 7.4391 8.2694 8.2828 8.4343 8.5427 9.3256 9.3341 9.3480 9.4119 9.9471 9.9890 10.0268 10.0328 10.1834 10.2244 13.2295 13.2943 14.0381 14.1010 k = 0.4570 0.2639 0.3445 ( 4747 PWs) bands (ev): -68.1442 -68.1442 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1487 -4.1482 -4.1455 -4.1451 -3.7105 -3.7100 -3.6809 -3.6806 -3.6741 -3.6738 3.4395 3.4504 6.2385 6.2451 6.4966 6.5282 7.1595 7.2545 7.4276 7.4415 8.2654 8.2852 8.4083 8.5378 9.3271 9.3401 9.3547 9.4216 9.9472 9.9911 10.0252 10.0346 10.1957 10.2368 13.0856 13.1538 13.9442 14.0103 k = 0.4531 0.2616 0.3572 ( 4745 PWs) bands (ev): -68.1440 -68.1440 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1488 -4.1483 -4.1455 -4.1451 -3.7105 -3.7099 -3.6809 -3.6804 -3.6742 -3.6738 3.4588 3.4705 6.2347 6.2494 6.4966 6.5373 7.1495 7.2578 7.4282 7.4447 8.2602 8.2882 8.3825 8.5361 9.3305 9.3497 9.3647 9.4332 9.9501 9.9956 10.0262 10.0393 10.2109 10.2517 12.9455 13.0164 13.8498 13.9186 k = 0.4492 0.2594 0.3700 ( 4740 PWs) bands (ev): -68.1435 -68.1435 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1488 -4.1484 -4.1455 -4.1450 -3.7105 -3.7099 -3.6808 -3.6803 -3.6743 -3.6737 3.4794 3.4919 6.2290 6.2533 6.4970 6.5480 7.1386 7.2614 7.4296 7.4483 8.2536 8.2909 8.3581 8.5375 9.3329 9.3590 9.3742 9.4439 9.9569 10.0011 10.0316 10.0453 10.2271 10.2679 12.8081 12.8813 13.7536 13.8249 k = 0.4453 0.2571 0.3827 ( 4738 PWs) bands (ev): -68.1432 -68.1432 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1484 -4.1455 -4.1449 -3.7106 -3.7099 -3.6808 -3.6802 -3.6744 -3.6737 3.5013 3.5146 6.2214 6.2562 6.4981 6.5601 7.1267 7.2653 7.4317 7.4522 8.2456 8.2896 8.3389 8.5421 9.3328 9.3684 9.3834 9.4522 9.9612 10.0082 10.0335 10.0526 10.2431 10.2835 12.6730 12.7479 13.6568 13.7301 k = 0.4414 0.2548 0.3955 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1489 -4.1485 -4.1455 -4.1448 -3.7106 -3.7099 -3.6808 -3.6800 -3.6745 -3.6737 3.5243 3.5382 6.2116 6.2577 6.5003 6.5738 7.1139 7.2696 7.4346 7.4565 8.2364 8.2772 8.3326 8.5501 9.3306 9.3792 9.3945 9.4594 9.9655 10.0144 10.0353 10.0592 10.2594 10.2993 12.5411 12.6171 13.5606 13.6356 k = 0.4375 0.2526 0.4082 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7124 -36.7124 -4.1490 -4.1486 -4.1455 -4.1447 -3.7107 -3.7099 -3.6808 -3.6798 -3.6746 -3.6736 3.5482 3.5629 6.1999 6.2573 6.5040 6.5888 7.1001 7.2741 7.4383 7.4609 8.2261 8.2554 8.3380 8.5618 9.3259 9.3884 9.4046 9.4650 9.9697 10.0194 10.0371 10.0646 10.2762 10.3159 12.4132 12.4896 13.4640 13.5405 k = 0.4336 0.2503 0.4210 ( 4736 PWs) bands (ev): -68.1430 -68.1430 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7124 -4.1490 -4.1487 -4.1455 -4.1446 -3.7107 -3.7099 -3.6808 -3.6797 -3.6747 -3.6736 3.5731 3.5883 6.1861 6.2546 6.5096 6.6051 7.0855 7.2789 7.4428 7.4654 8.2150 8.2305 8.3495 8.5771 9.3196 9.3967 9.4145 9.4706 9.9747 10.0227 10.0398 10.0685 10.2928 10.3323 12.2911 12.3672 13.3677 13.4454 k = 0.4297 0.2481 0.4338 ( 4740 PWs) bands (ev): -68.1434 -68.1434 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1491 -4.1487 -4.1455 -4.1445 -3.7107 -3.7099 -3.6808 -3.6795 -3.6748 -3.6735 3.5986 3.6144 6.1704 6.2491 6.5175 6.6225 7.0702 7.2839 7.4481 7.4700 8.2035 8.2049 8.3647 8.5957 9.3098 9.4031 9.4242 9.4750 9.9772 10.0255 10.0402 10.0719 10.3077 10.3474 12.1737 12.2490 13.2723 13.3510 k = 0.4258 0.2458 0.4465 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1491 -4.1488 -4.1456 -4.1445 -3.7108 -3.7098 -3.6808 -3.6793 -3.6749 -3.6734 3.6246 3.6409 6.1529 6.2406 6.5279 6.6410 7.0544 7.2890 7.4541 7.4747 8.1799 8.1917 8.3832 8.6179 9.2981 9.4077 9.4336 9.4799 9.9798 10.0254 10.0401 10.0726 10.3239 10.3635 12.0633 12.1370 13.1779 13.2573 k = 0.4219 0.2436 0.4593 ( 4746 PWs) bands (ev): -68.1440 -68.1440 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1489 -4.1456 -4.1444 -3.7108 -3.7098 -3.6808 -3.6791 -3.6750 -3.6733 3.6510 3.6677 6.1336 6.2289 6.5408 6.6604 7.0379 7.2940 7.4609 7.4795 8.1555 8.1801 8.4049 8.6426 9.2817 9.4091 9.4449 9.4858 9.9827 10.0298 10.0414 10.0781 10.3379 10.3784 11.9574 12.0291 13.0863 13.1662 k = 0.4180 0.2413 0.4720 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1490 -4.1456 -4.1443 -3.7109 -3.7098 -3.6809 -3.6789 -3.6751 -3.6733 3.6775 3.6946 6.1128 6.2143 6.5565 6.6806 7.0213 7.2986 7.4683 7.4846 8.1327 8.1689 8.4297 8.6707 9.2644 9.4079 9.4560 9.4941 9.9873 10.0327 10.0446 10.0825 10.3514 10.3928 11.8620 11.9308 12.9963 13.0765 k = 0.4141 0.2391 0.4848 ( 4739 PWs) bands (ev): -68.1432 -68.1432 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1490 -4.1456 -4.1442 -3.7109 -3.7098 -3.6809 -3.6787 -3.6752 -3.6732 3.7040 3.7214 6.0905 6.1968 6.5747 6.7015 7.0046 7.3027 7.4763 7.4901 8.1116 8.1582 8.4577 8.7015 9.2441 9.4033 9.4673 9.5041 9.9925 10.0351 10.0486 10.0870 10.3657 10.4084 11.7751 11.8405 12.9087 12.9890 k = 0.4102 0.2368 0.4976 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1492 -4.1491 -4.1457 -4.1441 -3.7110 -3.7098 -3.6809 -3.6786 -3.6753 -3.6731 3.7301 3.7478 6.0668 6.1765 6.5952 6.7227 6.9877 7.3061 7.4847 7.4960 8.0921 8.1482 8.4885 8.7342 9.2200 9.3947 9.4794 9.5160 9.9971 10.0371 10.0523 10.0912 10.3772 10.4213 11.6952 11.7569 12.8240 12.9042 k = 0.4062 0.2345 0.5103 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7128 -36.7127 -36.7125 -36.7125 -4.1493 -4.1492 -4.1457 -4.1441 -3.7110 -3.7098 -3.6810 -3.6784 -3.6754 -3.6730 3.7556 3.7736 6.0420 6.1538 6.6181 6.7442 6.9710 7.3085 7.4934 7.5027 8.0747 8.1389 8.5222 8.7685 9.1931 9.3832 9.4904 9.5280 10.0012 10.0387 10.0560 10.0953 10.3856 10.4318 11.6248 11.6826 12.7416 12.8215 k = 0.4023 0.2323 0.5231 ( 4740 PWs) bands (ev): -68.1433 -68.1433 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1493 -4.1492 -4.1458 -4.1440 -3.7110 -3.7098 -3.6810 -3.6782 -3.6755 -3.6729 3.7802 3.7984 6.0162 6.1288 6.6429 6.7655 6.9544 7.3097 7.5022 7.5101 8.0593 8.1302 8.5580 8.8032 9.1628 9.3689 9.5001 9.5396 10.0027 10.0383 10.0573 10.0978 10.3896 10.4380 11.5603 11.6143 12.6614 12.7410 k = 0.3984 0.2300 0.5358 ( 4743 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1493 -4.1493 -4.1458 -4.1439 -3.7111 -3.7098 -3.6810 -3.6781 -3.6755 -3.6728 3.8036 3.8219 5.9895 6.1020 6.6697 6.7866 6.9383 7.3099 7.5113 7.5186 8.0463 8.1225 8.5958 8.8380 9.1308 9.3539 9.5117 9.5534 10.0041 10.0382 10.0592 10.1010 10.3910 10.4422 11.5059 11.5562 12.5854 12.6644 k = 0.3945 0.2278 0.5486 ( 4743 PWs) bands (ev): -68.1436 -68.1436 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7125 -4.1493 -4.1493 -4.1459 -4.1439 -3.7111 -3.7099 -3.6811 -3.6780 -3.6755 -3.6727 3.8256 3.8439 5.9623 6.0736 6.6985 6.8072 6.9228 7.3092 7.5205 7.5283 8.0359 8.1159 8.6349 8.8714 9.0979 9.3397 9.5250 9.5692 10.0064 10.0378 10.0611 10.1032 10.3908 10.4450 11.4616 11.5083 12.5139 12.5923 k = 0.3906 0.2255 0.5613 ( 4750 PWs) bands (ev): -68.1443 -68.1443 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1459 -4.1438 -3.7112 -3.7099 -3.6811 -3.6780 -3.6755 -3.6726 3.8457 3.8640 5.9347 6.0440 6.7288 6.8269 6.9080 7.3074 7.5296 7.5392 8.0278 8.1099 8.6738 8.9008 9.0652 9.3281 9.5349 9.5819 10.0059 10.0369 10.0621 10.1068 10.3852 10.4425 11.4248 11.4684 12.4443 12.5219 k = 0.3867 0.2233 0.5741 ( 4750 PWs) bands (ev): -68.1444 -68.1444 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1494 -4.1493 -4.1459 -4.1438 -3.7112 -3.7099 -3.6812 -3.6779 -3.6755 -3.6725 3.8637 3.8819 5.9071 6.0136 6.7605 6.8453 6.8943 7.3050 7.5386 7.5517 8.0225 8.1047 8.7100 8.9242 9.0359 9.3225 9.5452 9.5954 10.0101 10.0377 10.0650 10.1096 10.3830 10.4432 11.3970 11.4379 12.3787 12.4554 k = 0.3828 0.2210 0.5869 ( 4744 PWs) bands (ev): -68.1437 -68.1437 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1493 -4.1460 -4.1437 -3.7112 -3.7099 -3.6812 -3.6780 -3.6754 -3.6724 3.8793 3.8974 5.8796 5.9827 6.7927 6.8623 6.8826 7.3024 7.5477 7.5659 8.0197 8.1006 8.7391 8.9380 9.0147 9.3258 9.5560 9.6089 10.0160 10.0415 10.0710 10.1160 10.3804 10.4440 11.3785 11.4172 12.3178 12.3934 k = 0.3789 0.2188 0.5996 ( 4748 PWs) bands (ev): -68.1442 -68.1442 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1495 -4.1493 -4.1460 -4.1437 -3.7112 -3.7099 -3.6812 -3.6780 -3.6752 -3.6723 3.8919 3.9098 5.8526 5.9516 6.8224 6.8756 6.8771 7.2994 7.5565 7.5817 8.0190 8.0968 8.7537 8.9397 9.0082 9.3400 9.5637 9.6195 10.0191 10.0426 10.0744 10.1201 10.3740 10.4403 11.3651 11.4023 12.2594 12.3340 k = 0.3750 0.2165 0.6124 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.6250-0.0722 0.4082 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1437 -3.7112 -3.7099 -3.6813 -3.6781 -3.6751 -3.6723 3.9013 3.9189 5.8266 5.9211 6.8372 6.8859 6.8900 7.2966 7.5653 7.5997 8.0205 8.0939 8.7491 8.9299 9.0226 9.3659 9.5727 9.6308 10.0247 10.0470 10.0826 10.1292 10.3694 10.4381 11.3618 11.3979 12.2063 12.2797 k = 0.6184-0.0836 0.4082 ( 4742 PWs) bands (ev): -68.1435 -68.1435 -37.9161 -37.9160 -36.7129 -36.7128 -36.7126 -36.7126 -4.1496 -4.1492 -4.1461 -4.1436 -3.7113 -3.7100 -3.6813 -3.6782 -3.6748 -3.6722 3.9132 3.9303 5.7838 5.8705 6.8430 6.9086 6.9237 7.2913 7.5806 7.6324 8.0255 8.0894 8.7200 8.9010 9.0687 9.4194 9.5863 9.6477 10.0317 10.0516 10.0973 10.1447 10.3614 10.4331 11.3570 11.3918 12.1201 12.1916 k = 0.6118-0.0950 0.4082 ( 4738 PWs) bands (ev): -68.1431 -68.1431 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1497 -4.1492 -4.1462 -4.1436 -3.7113 -3.7100 -3.6814 -3.6783 -3.6746 -3.6721 3.9233 3.9398 5.7421 5.8213 6.8502 6.9258 6.9594 7.2854 7.5972 7.6662 8.0318 8.0857 8.6839 8.8680 9.1232 9.4760 9.6020 9.6656 10.0410 10.0578 10.1157 10.1624 10.3592 10.4328 11.3528 11.3863 12.0369 12.1062 k = 0.6053-0.1064 0.4082 ( 4730 PWs) bands (ev): -68.1423 -68.1423 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1497 -4.1492 -4.1462 -4.1436 -3.7113 -3.7101 -3.6814 -3.6785 -3.6743 -3.6720 3.9319 3.9477 5.7020 5.7740 6.8587 6.9422 6.9928 7.2785 7.6151 7.7002 8.0394 8.0821 8.6442 8.8325 9.1825 9.5333 9.6186 9.6843 10.0515 10.0662 10.1400 10.1863 10.3612 10.4357 11.3504 11.3824 11.9545 12.0213 k = 0.5987-0.1177 0.4082 ( 4726 PWs) bands (ev): -68.1419 -68.1419 -37.9160 -37.9160 -36.7128 -36.7128 -36.7125 -36.7125 -4.1497 -4.1492 -4.1462 -4.1435 -3.7113 -3.7101 -3.6815 -3.6787 -3.6741 -3.6719 3.9390 3.9541 5.6634 5.7286 6.8683 6.9576 7.0233 7.2707 7.6342 7.7338 8.0481 8.0787 8.6026 8.7953 9.2438 9.5879 9.6340 9.7016 10.0633 10.0772 10.1642 10.2095 10.3677 10.4421 11.3471 11.3773 11.8728 11.9369 k = 0.5921-0.1291 0.4082 ( 4734 PWs) bands (ev): -68.1427 -68.1427 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1498 -4.1492 -4.1462 -4.1435 -3.7113 -3.7102 -3.6815 -3.6788 -3.6738 -3.6718 3.9448 3.9590 5.6266 5.6854 6.8787 6.9725 7.0506 7.2620 7.6544 7.7662 8.0575 8.0751 8.5600 8.7570 9.3049 9.6362 9.6482 9.7184 10.0701 10.0864 10.1889 10.2340 10.3721 10.4451 11.3431 11.3713 11.7915 11.8525 k = 0.5855-0.1405 0.4082 ( 4728 PWs) bands (ev): -68.1421 -68.1421 -37.9160 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1498 -4.1492 -4.1462 -4.1436 -3.7113 -3.7102 -3.6815 -3.6790 -3.6736 -3.6717 3.9495 3.9629 5.5918 5.6447 6.8903 6.9872 7.0751 7.2530 7.6759 7.7974 8.0682 8.0725 8.5173 8.7185 9.3659 9.6645 9.6767 9.7381 10.0841 10.1057 10.2186 10.2643 10.3878 10.4567 11.3408 11.3665 11.7148 11.7721 k = 0.5789-0.1519 0.4082 ( 4736 PWs) bands (ev): -68.1429 -68.1429 -37.9161 -37.9160 -36.7129 -36.7128 -36.7125 -36.7125 -4.1499 -4.1492 -4.1461 -4.1436 -3.7113 -3.7103 -3.6815 -3.6792 -3.6733 -3.6716 3.9533 3.9657 5.5592 5.6065 6.9024 7.0016 7.0965 7.2428 7.6982 7.8268 8.0693 8.0795 8.4744 8.6799 9.4233 9.6770 9.7046 9.7567 10.0950 10.1258 10.2451 10.2927 10.4058 10.4684 11.3386 11.3607 11.6366 11.6892 k = 0.5724-0.1633 0.4082 ( 4748 PWs) bands (ev): -68.1442 -68.1442 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1492 -4.1461 -4.1436 -3.7113 -3.7104 -3.6815 -3.6793 -3.6731 -3.6715 3.9562 3.9678 5.5288 5.5708 6.9152 7.0154 7.1145 7.2319 7.7212 7.8541 8.0663 8.0916 8.4318 8.6416 9.4761 9.6882 9.7221 9.7730 10.1070 10.1497 10.2721 10.3229 10.4309 10.4839 11.3338 11.3510 11.5616 11.6078 k = 0.5658-0.1747 0.4082 ( 4744 PWs) bands (ev): -68.1438 -68.1438 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1493 -4.1460 -4.1437 -3.7113 -3.7104 -3.6815 -3.6795 -3.6729 -3.6715 3.9585 3.9691 5.5009 5.5380 6.9288 7.0294 7.1298 7.2210 7.7454 7.8794 8.0640 8.1049 8.3900 8.6040 9.5265 9.7024 9.7369 9.7893 10.1252 10.1777 10.3051 10.3597 10.4690 10.5086 11.3312 11.3401 11.4950 11.5312 k = 0.5592-0.1861 0.4082 ( 4748 PWs) bands (ev): -68.1442 -68.1442 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1493 -4.1459 -4.1437 -3.7113 -3.7105 -3.6815 -3.6797 -3.6727 -3.6714 3.9603 3.9698 5.4754 5.5080 6.9428 7.0430 7.1420 7.2092 7.7702 7.9024 8.0613 8.1189 8.3488 8.5671 9.5706 9.7142 9.7474 9.7991 10.1422 10.2017 10.3383 10.3947 10.5119 10.5374 11.3187 11.3265 11.4376 11.4553 k = 0.5526-0.1975 0.4082 ( 4756 PWs) bands (ev): -68.1450 -68.1450 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1499 -4.1494 -4.1458 -4.1438 -3.7113 -3.7106 -3.6815 -3.6798 -3.6725 -3.6714 3.9614 3.9699 5.4526 5.4809 6.9573 7.0563 7.1515 7.1973 7.7956 7.9229 8.0587 8.1336 8.3085 8.5311 9.6089 9.7253 9.7560 9.8038 10.1559 10.2162 10.3758 10.4295 10.5590 10.5704 11.2800 11.3164 11.3867 11.3996 k = 0.5461-0.2089 0.4082 ( 4758 PWs) bands (ev): -68.1453 -68.1453 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1499 -4.1494 -4.1457 -4.1439 -3.7113 -3.7106 -3.6815 -3.6800 -3.6723 -3.6713 3.9624 3.9699 5.4325 5.4567 6.9721 7.0692 7.1588 7.1850 7.8216 7.9420 8.0562 8.1494 8.2693 8.4964 9.6410 9.7347 9.7623 9.8038 10.1735 10.2325 10.4175 10.4648 10.6089 10.6108 11.2273 11.2825 11.3466 11.3805 k = 0.5395-0.2203 0.4082 ( 4758 PWs) bands (ev): -68.1453 -68.1453 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7125 -4.1499 -4.1495 -4.1455 -4.1440 -3.7113 -3.7107 -3.6814 -3.6801 -3.6721 -3.6713 3.9632 3.9696 5.4151 5.4355 6.9872 7.0815 7.1635 7.1726 7.8482 7.9588 8.0536 8.1660 8.2313 8.4628 9.6695 9.7438 9.7677 9.8038 10.1900 10.2428 10.4635 10.5008 10.6557 10.6593 11.1684 11.2198 11.3372 11.3699 k = 0.5329-0.2317 0.4082 ( 4754 PWs) bands (ev): -68.1449 -68.1449 -37.9161 -37.9160 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1495 -4.1454 -4.1441 -3.7112 -3.7107 -3.6814 -3.6803 -3.6720 -3.6713 3.9637 3.9692 5.4006 5.4173 7.0025 7.0926 7.1604 7.1662 7.8754 7.9738 8.0508 8.1820 8.1961 8.4307 9.6940 9.7544 9.7747 9.8020 10.2060 10.2507 10.5133 10.5391 10.7014 10.7057 11.1096 11.1533 11.3350 11.3632 k = 0.5263-0.2431 0.4082 ( 4754 PWs) bands (ev): -68.1449 -68.1449 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1496 -4.1453 -4.1442 -3.7112 -3.7108 -3.6813 -3.6804 -3.6718 -3.6713 3.9642 3.9686 5.3889 5.4021 7.0179 7.1015 7.1494 7.1667 7.9031 7.9868 8.0475 8.1571 8.2039 8.3998 9.7145 9.7614 9.7774 9.7986 10.2192 10.2551 10.5637 10.5773 10.7443 10.7451 11.0527 11.0875 11.3344 11.3578 k = 0.5197-0.2545 0.4082 ( 4758 PWs) bands (ev): -68.1454 -68.1454 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1499 -4.1496 -4.1451 -4.1443 -3.7111 -3.7109 -3.6812 -3.6806 -3.6717 -3.6713 3.9646 3.9679 5.3801 5.3899 7.0332 7.1057 7.1419 7.1653 7.9312 7.9980 8.0438 8.1227 8.2235 8.3704 9.7310 9.7654 9.7768 9.7930 10.2301 10.2572 10.6139 10.6158 10.7739 10.7807 11.0000 11.0244 11.3341 11.3522 k = 0.5132-0.2659 0.4082 ( 4766 PWs) bands (ev): -68.1462 -68.1462 -37.9161 -37.9161 -36.7130 -36.7129 -36.7126 -36.7126 -4.1499 -4.1497 -4.1450 -4.1444 -3.7111 -3.7109 -3.6811 -3.6807 -3.6716 -3.6713 3.9650 3.9672 5.3742 5.3806 7.0482 7.1013 7.1414 7.1621 7.9595 8.0072 8.0394 8.0892 8.2446 8.3424 9.7438 9.7689 9.7757 9.7852 10.2383 10.2563 10.6535 10.6620 10.7876 10.8055 10.9555 10.9668 11.3331 11.3457 k = 0.5066-0.2773 0.4082 ( 4762 PWs) bands (ev): -68.1458 -68.1458 -37.9161 -37.9161 -36.7129 -36.7129 -36.7126 -36.7126 -4.1498 -4.1497 -4.1448 -4.1446 -3.7111 -3.7110 -3.6810 -3.6808 -3.6715 -3.6714 3.9655 3.9666 5.3714 5.3747 7.0631 7.0906 7.1463 7.1578 7.9882 8.0140 8.0353 8.0583 8.2671 8.3159 9.7572 9.7748 9.7752 9.7815 10.2462 10.2552 10.6911 10.7045 10.7897 10.8129 10.9271 10.9273 11.3370 11.3434 k = 0.5000-0.2887 0.4082 ( 4752 PWs) bands (ev): -68.1447 -68.1447 -37.9161 -37.9161 -36.7129 -36.7129 -36.7125 -36.7125 -4.1498 -4.1498 -4.1447 -4.1447 -3.7110 -3.7110 -3.6809 -3.6809 -3.6714 -3.6714 3.9661 3.9661 5.3717 5.3717 7.0775 7.0775 7.1524 7.1524 8.0118 8.0118 8.0367 8.0367 8.2909 8.2909 9.7707 9.7707 9.7813 9.7813 10.2541 10.2541 10.7179 10.7179 10.8002 10.8002 10.9170 10.9170 11.3414 11.3414 Writing output data file MnGaPt.save init_run : 0.95s CPU 0.56s WALL ( 1 calls) electrons : 263.90s CPU 168.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 263.89s CPU 168.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.40s CPU 0.49s WALL ( 346 calls) cegterg : 229.75s CPU 147.59s WALL ( 364 calls) Called by sum_band: Called by *egterg: h_psi : 164.92s CPU 97.41s WALL ( 5622 calls) s_psi : 5.84s CPU 3.56s WALL ( 5622 calls) g_psi : 0.30s CPU 0.22s WALL ( 4912 calls) cdiaghg : 60.75s CPU 44.54s WALL ( 5258 calls) cegterg:over : 9.92s CPU 6.56s WALL ( 4912 calls) cegterg:upda : 7.86s CPU 5.29s WALL ( 4912 calls) cegterg:last : 3.94s CPU 2.68s WALL ( 1056 calls) cdiaghg:chol : 3.61s CPU 2.52s WALL ( 5258 calls) cdiaghg:inve : 2.10s CPU 1.63s WALL ( 5258 calls) cdiaghg:para : 3.26s CPU 2.49s WALL ( 10516 calls) Called by h_psi: h_psi:vloc : 147.80s CPU 86.90s WALL ( 5622 calls) h_psi:vnl : 16.78s CPU 10.29s WALL ( 5622 calls) add_vuspsi : 9.91s CPU 5.96s WALL ( 5622 calls) General routines calbec : 6.82s CPU 4.32s WALL ( 5622 calls) fft : 0.13s CPU 0.07s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 138.38s CPU 80.86s WALL ( 667248 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.42s CPU 0.88s WALL ( 692 calls) Parallel routines fft_scatter : 60.56s CPU 37.05s WALL ( 667271 calls) PWSCF : 4m41.50s CPU 3m18.75s WALL This run was terminated on: 4: 4:32 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=