Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:20 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), running on 36 processors 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: ./Sr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 25 15 4 658 305 50 Max 27 16 5 662 325 56 Sum 905 565 171 23791 11407 1899 bravais-lattice index = 14 lattice parameter (alat) = 8.1060 a.u. unit-cell volume = 330.8510 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.106038 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.126392 celldm(5)= -0.126392 celldm(6)= -0.747216 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.747216 0.664582 0.000000 ) a(3) = ( -0.126392 -0.332291 0.934670 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.124340 0.534948 ) b(2) = ( 0.000000 1.504706 0.534948 ) b(3) = ( 0.000000 0.000000 1.069896 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 Sr 10.00 87.62000 Sr( 1.00) No symmetry found (note: 3 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 403 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0000000 0.0133737), wk = 0.0024814 k( 3) = ( 0.0000000 0.0000000 0.0267474), wk = 0.0024814 k( 4) = ( 0.0000000 0.0000000 0.0401211), wk = 0.0024814 k( 5) = ( 0.0000000 0.0000000 0.0534948), wk = 0.0024814 k( 6) = ( 0.0000000 0.0000000 0.0668685), wk = 0.0024814 k( 7) = ( 0.0000000 0.0000000 0.0802422), wk = 0.0024814 k( 8) = ( 0.0000000 0.0000000 0.0936159), wk = 0.0024814 k( 9) = ( 0.0000000 0.0000000 0.1069896), wk = 0.0024814 k( 10) = ( 0.0000000 0.0000000 0.1203633), wk = 0.0024814 k( 11) = ( 0.0000000 0.0000000 0.1337371), wk = 0.0024814 k( 12) = ( 0.0000000 0.0000000 0.1471108), wk = 0.0024814 k( 13) = ( 0.0000000 0.0000000 0.1604845), wk = 0.0024814 k( 14) = ( 0.0000000 0.0000000 0.1738582), wk = 0.0024814 k( 15) = ( 0.0000000 0.0000000 0.1872319), wk = 0.0024814 k( 16) = ( 0.0000000 0.0000000 0.2006056), wk = 0.0024814 k( 17) = ( 0.0000000 0.0000000 0.2139793), wk = 0.0024814 k( 18) = ( 0.0000000 0.0000000 0.2273530), wk = 0.0024814 k( 19) = ( 0.0000000 0.0000000 0.2407267), wk = 0.0024814 k( 20) = ( 0.0000000 0.0000000 0.2541004), wk = 0.0024814 k( 21) = ( 0.0000000 0.0000000 0.2674741), wk = 0.0024814 k( 22) = ( 0.0000000 0.0000000 0.2808478), wk = 0.0024814 k( 23) = ( 0.0000000 0.0000000 0.2942215), wk = 0.0024814 k( 24) = ( 0.0000000 0.0000000 0.3075952), wk = 0.0024814 k( 25) = ( 0.0000000 0.0000000 0.3209689), wk = 0.0024814 k( 26) = ( 0.0000000 0.0000000 0.3343426), wk = 0.0024814 k( 27) = ( 0.0000000 0.0000000 0.3477163), wk = 0.0024814 k( 28) = ( 0.0000000 0.0000000 0.3610900), wk = 0.0024814 k( 29) = ( 0.0000000 0.0000000 0.3744637), wk = 0.0024814 k( 30) = ( 0.0000000 0.0000000 0.3878375), wk = 0.0024814 k( 31) = ( 0.0000000 0.0000000 0.4012112), wk = 0.0024814 k( 32) = ( 0.0000000 0.0000000 0.4145849), wk = 0.0024814 k( 33) = ( 0.0000000 0.0000000 0.4279586), wk = 0.0024814 k( 34) = ( 0.0000000 0.0000000 0.4413323), wk = 0.0024814 k( 35) = ( 0.0000000 0.0000000 0.4547060), wk = 0.0024814 k( 36) = ( 0.0000000 0.0000000 0.4680797), wk = 0.0024814 k( 37) = ( 0.0000000 0.0000000 0.4814534), wk = 0.0024814 k( 38) = ( 0.0000000 0.0000000 0.4948271), wk = 0.0024814 k( 39) = ( 0.0000000 0.0000000 0.5082008), wk = 0.0024814 k( 40) = ( 0.0000000 0.0000000 0.5215745), wk = 0.0024814 k( 41) = ( 0.0000000 0.0000000 0.5349482), wk = 0.0024814 k( 42) = ( 0.0000000 0.0000000 0.5349482), wk = 0.0024814 k( 43) = ( -0.0125000 0.0047546 0.5349482), wk = 0.0024814 k( 44) = ( -0.0250000 0.0095092 0.5349482), wk = 0.0024814 k( 45) = ( -0.0375000 0.0142637 0.5349482), wk = 0.0024814 k( 46) = ( -0.0500000 0.0190183 0.5349482), wk = 0.0024814 k( 47) = ( -0.0625000 0.0237729 0.5349482), wk = 0.0024814 k( 48) = ( -0.0750000 0.0285275 0.5349482), wk = 0.0024814 k( 49) = ( -0.0875000 0.0332820 0.5349482), wk = 0.0024814 k( 50) = ( -0.1000000 0.0380366 0.5349482), wk = 0.0024814 k( 51) = ( -0.1125000 0.0427912 0.5349482), wk = 0.0024814 k( 52) = ( -0.1250000 0.0475458 0.5349482), wk = 0.0024814 k( 53) = ( -0.1375000 0.0523003 0.5349482), wk = 0.0024814 k( 54) = ( -0.1500000 0.0570549 0.5349482), wk = 0.0024814 k( 55) = ( -0.1625000 0.0618095 0.5349482), wk = 0.0024814 k( 56) = ( -0.1750000 0.0665641 0.5349482), wk = 0.0024814 k( 57) = ( -0.1875000 0.0713186 0.5349482), wk = 0.0024814 k( 58) = ( -0.2000000 0.0760732 0.5349482), wk = 0.0024814 k( 59) = ( -0.2125000 0.0808278 0.5349482), wk = 0.0024814 k( 60) = ( -0.2250000 0.0855824 0.5349482), wk = 0.0024814 k( 61) = ( -0.2375000 0.0903369 0.5349482), wk = 0.0024814 k( 62) = ( -0.2500000 0.0950915 0.5349482), wk = 0.0024814 k( 63) = ( -0.2625000 0.0998461 0.5349482), wk = 0.0024814 k( 64) = ( -0.2750000 0.1046007 0.5349482), wk = 0.0024814 k( 65) = ( -0.2875000 0.1093552 0.5349482), wk = 0.0024814 k( 66) = ( -0.3000000 0.1141098 0.5349482), wk = 0.0024814 k( 67) = ( -0.3125000 0.1188644 0.5349482), wk = 0.0024814 k( 68) = ( -0.3250000 0.1236190 0.5349482), wk = 0.0024814 k( 69) = ( -0.3375000 0.1283736 0.5349482), wk = 0.0024814 k( 70) = ( -0.3500000 0.1331281 0.5349482), wk = 0.0024814 k( 71) = ( -0.3625000 0.1378827 0.5349482), wk = 0.0024814 k( 72) = ( -0.3750000 0.1426373 0.5349482), wk = 0.0024814 k( 73) = ( -0.3875000 0.1473919 0.5349482), wk = 0.0024814 k( 74) = ( -0.4000000 0.1521464 0.5349482), wk = 0.0024814 k( 75) = ( -0.4125000 0.1569010 0.5349482), wk = 0.0024814 k( 76) = ( -0.4250000 0.1616556 0.5349482), wk = 0.0024814 k( 77) = ( -0.4375000 0.1664102 0.5349482), wk = 0.0024814 k( 78) = ( -0.4500000 0.1711647 0.5349482), wk = 0.0024814 k( 79) = ( -0.4625000 0.1759193 0.5349482), wk = 0.0024814 k( 80) = ( -0.4750000 0.1806739 0.5349482), wk = 0.0024814 k( 81) = ( -0.4875000 0.1854285 0.5349482), wk = 0.0024814 k( 82) = ( -0.5000000 0.1901830 0.5349482), wk = 0.0024814 k( 83) = ( -0.5000000 0.1901830 0.5349482), wk = 0.0024814 k( 84) = ( -0.4910714 0.1867869 0.5253956), wk = 0.0024814 k( 85) = ( -0.4821429 0.1833908 0.5158429), wk = 0.0024814 k( 86) = ( -0.4732143 0.1799947 0.5062903), wk = 0.0024814 k( 87) = ( -0.4642857 0.1765985 0.4967376), wk = 0.0024814 k( 88) = ( -0.4553571 0.1732024 0.4871850), wk = 0.0024814 k( 89) = ( -0.4464286 0.1698063 0.4776323), wk = 0.0024814 k( 90) = ( -0.4375000 0.1664102 0.4680797), wk = 0.0024814 k( 91) = ( -0.4285714 0.1630140 0.4585270), wk = 0.0024814 k( 92) = ( -0.4196429 0.1596179 0.4489744), wk = 0.0024814 k( 93) = ( -0.4107143 0.1562218 0.4394217), wk = 0.0024814 k( 94) = ( -0.4017857 0.1528257 0.4298691), wk = 0.0024814 k( 95) = ( -0.3928571 0.1494295 0.4203164), wk = 0.0024814 k( 96) = ( -0.3839286 0.1460334 0.4107638), wk = 0.0024814 k( 97) = ( -0.3750000 0.1426373 0.4012112), wk = 0.0024814 k( 98) = ( -0.3660714 0.1392412 0.3916585), wk = 0.0024814 k( 99) = ( -0.3571429 0.1358450 0.3821059), wk = 0.0024814 k( 100) = ( -0.3482143 0.1324489 0.3725532), wk = 0.0024814 k( 101) = ( -0.3392857 0.1290528 0.3630006), wk = 0.0024814 k( 102) = ( -0.3303571 0.1256567 0.3534479), wk = 0.0024814 k( 103) = ( -0.3214286 0.1222605 0.3438953), wk = 0.0024814 k( 104) = ( -0.3125000 0.1188644 0.3343426), wk = 0.0024814 k( 105) = ( -0.3035714 0.1154683 0.3247900), wk = 0.0024814 k( 106) = ( -0.2946429 0.1120722 0.3152373), wk = 0.0024814 k( 107) = ( -0.2857143 0.1086760 0.3056847), wk = 0.0024814 k( 108) = ( -0.2767857 0.1052799 0.2961320), wk = 0.0024814 k( 109) = ( -0.2678571 0.1018838 0.2865794), wk = 0.0024814 k( 110) = ( -0.2589286 0.0984876 0.2770268), wk = 0.0024814 k( 111) = ( -0.2500000 0.0950915 0.2674741), wk = 0.0024814 k( 112) = ( -0.2410714 0.0916954 0.2579215), wk = 0.0024814 k( 113) = ( -0.2321429 0.0882993 0.2483688), wk = 0.0024814 k( 114) = ( -0.2232143 0.0849031 0.2388162), wk = 0.0024814 k( 115) = ( -0.2142857 0.0815070 0.2292635), wk = 0.0024814 k( 116) = ( -0.2053571 0.0781109 0.2197109), wk = 0.0024814 k( 117) = ( -0.1964286 0.0747148 0.2101582), wk = 0.0024814 k( 118) = ( -0.1875000 0.0713186 0.2006056), wk = 0.0024814 k( 119) = ( -0.1785714 0.0679225 0.1910529), wk = 0.0024814 k( 120) = ( -0.1696429 0.0645264 0.1815003), wk = 0.0024814 k( 121) = ( -0.1607143 0.0611303 0.1719476), wk = 0.0024814 k( 122) = ( -0.1517857 0.0577341 0.1623950), wk = 0.0024814 k( 123) = ( -0.1428571 0.0543380 0.1528423), wk = 0.0024814 k( 124) = ( -0.1339286 0.0509419 0.1432897), wk = 0.0024814 k( 125) = ( -0.1250000 0.0475458 0.1337371), wk = 0.0024814 k( 126) = ( -0.1160714 0.0441496 0.1241844), wk = 0.0024814 k( 127) = ( -0.1071429 0.0407535 0.1146318), wk = 0.0024814 k( 128) = ( -0.0982143 0.0373574 0.1050791), wk = 0.0024814 k( 129) = ( -0.0892857 0.0339613 0.0955265), wk = 0.0024814 k( 130) = ( -0.0803571 0.0305651 0.0859738), wk = 0.0024814 k( 131) = ( -0.0714286 0.0271690 0.0764212), wk = 0.0024814 k( 132) = ( -0.0625000 0.0237729 0.0668685), wk = 0.0024814 k( 133) = ( -0.0535714 0.0203768 0.0573159), wk = 0.0024814 k( 134) = ( -0.0446429 0.0169806 0.0477632), wk = 0.0024814 k( 135) = ( -0.0357143 0.0135845 0.0382106), wk = 0.0024814 k( 136) = ( -0.0267857 0.0101884 0.0286579), wk = 0.0024814 k( 137) = ( -0.0178571 0.0067923 0.0191053), wk = 0.0024814 k( 138) = ( -0.0089286 0.0033961 0.0095526), wk = 0.0024814 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 141) = ( 0.0048110 0.0126484 -0.0000000), wk = 0.0024814 k( 142) = ( 0.0096221 0.0252969 -0.0000000), wk = 0.0024814 k( 143) = ( 0.0144331 0.0379453 -0.0000000), wk = 0.0024814 k( 144) = ( 0.0192441 0.0505937 -0.0000000), wk = 0.0024814 k( 145) = ( 0.0240552 0.0632421 -0.0000000), wk = 0.0024814 k( 146) = ( 0.0288662 0.0758906 -0.0000000), wk = 0.0024814 k( 147) = ( 0.0336772 0.0885390 -0.0000000), wk = 0.0024814 k( 148) = ( 0.0384883 0.1011874 -0.0000000), wk = 0.0024814 k( 149) = ( 0.0432993 0.1138358 -0.0000000), wk = 0.0024814 k( 150) = ( 0.0481103 0.1264843 -0.0000000), wk = 0.0024814 k( 151) = ( 0.0529214 0.1391327 -0.0000000), wk = 0.0024814 k( 152) = ( 0.0577324 0.1517811 -0.0000000), wk = 0.0024814 k( 153) = ( 0.0625434 0.1644295 -0.0000000), wk = 0.0024814 k( 154) = ( 0.0673545 0.1770780 -0.0000000), wk = 0.0024814 k( 155) = ( 0.0721655 0.1897264 -0.0000000), wk = 0.0024814 k( 156) = ( 0.0769765 0.2023748 -0.0000000), wk = 0.0024814 k( 157) = ( 0.0817876 0.2150232 -0.0000000), wk = 0.0024814 k( 158) = ( 0.0865986 0.2276717 -0.0000000), wk = 0.0024814 k( 159) = ( 0.0914096 0.2403201 -0.0000000), wk = 0.0024814 k( 160) = ( 0.0962207 0.2529685 -0.0000000), wk = 0.0024814 k( 161) = ( 0.1010317 0.2656170 -0.0000000), wk = 0.0024814 k( 162) = ( 0.1058427 0.2782654 -0.0000000), wk = 0.0024814 k( 163) = ( 0.1106537 0.2909138 -0.0000000), wk = 0.0024814 k( 164) = ( 0.1154648 0.3035622 -0.0000000), wk = 0.0024814 k( 165) = ( 0.1202758 0.3162107 -0.0000000), wk = 0.0024814 k( 166) = ( 0.1250868 0.3288591 -0.0000000), wk = 0.0024814 k( 167) = ( 0.1298979 0.3415075 -0.0000000), wk = 0.0024814 k( 168) = ( 0.1347089 0.3541559 -0.0000000), wk = 0.0024814 k( 169) = ( 0.1395199 0.3668044 -0.0000000), wk = 0.0024814 k( 170) = ( 0.1443310 0.3794528 -0.0000000), wk = 0.0024814 k( 171) = ( 0.1491420 0.3921012 -0.0000000), wk = 0.0024814 k( 172) = ( 0.1539530 0.4047497 -0.0000000), wk = 0.0024814 k( 173) = ( 0.1587641 0.4173981 -0.0000000), wk = 0.0024814 k( 174) = ( 0.1635751 0.4300465 -0.0000000), wk = 0.0024814 k( 175) = ( 0.1683861 0.4426949 -0.0000000), wk = 0.0024814 k( 176) = ( 0.1731972 0.4553434 -0.0000000), wk = 0.0024814 k( 177) = ( 0.1780082 0.4679918 -0.0000000), wk = 0.0024814 k( 178) = ( 0.1828192 0.4806402 -0.0000000), wk = 0.0024814 k( 179) = ( 0.1876303 0.4932886 -0.0000000), wk = 0.0024814 k( 180) = ( 0.1924413 0.5059371 -0.0000000), wk = 0.0024814 k( 181) = ( 0.1972523 0.5185855 -0.0000000), wk = 0.0024814 k( 182) = ( 0.2020634 0.5312339 -0.0000000), wk = 0.0024814 k( 183) = ( 0.2068744 0.5438824 -0.0000000), wk = 0.0024814 k( 184) = ( 0.2116854 0.5565308 -0.0000000), wk = 0.0024814 k( 185) = ( 0.2164965 0.5691792 -0.0000000), wk = 0.0024814 k( 186) = ( 0.2213075 0.5818276 -0.0000000), wk = 0.0024814 k( 187) = ( 0.2261185 0.5944761 -0.0000000), wk = 0.0024814 k( 188) = ( 0.2309296 0.6071245 -0.0000000), wk = 0.0024814 k( 189) = ( 0.2357406 0.6197729 -0.0000000), wk = 0.0024814 k( 190) = ( 0.2405516 0.6324213 -0.0000000), wk = 0.0024814 k( 191) = ( 0.2453627 0.6450698 -0.0000000), wk = 0.0024814 k( 192) = ( 0.2501737 0.6577182 -0.0000000), wk = 0.0024814 k( 193) = ( 0.2549847 0.6703666 -0.0000000), wk = 0.0024814 k( 194) = ( 0.2597958 0.6830151 -0.0000000), wk = 0.0024814 k( 195) = ( 0.2646068 0.6956635 -0.0000000), wk = 0.0024814 k( 196) = ( 0.2694178 0.7083119 -0.0000000), wk = 0.0024814 k( 197) = ( 0.2742289 0.7209603 -0.0000000), wk = 0.0024814 k( 198) = ( 0.2790399 0.7336088 -0.0000000), wk = 0.0024814 k( 199) = ( 0.2838509 0.7462572 -0.0000000), wk = 0.0024814 k( 200) = ( 0.2886620 0.7589056 -0.0000000), wk = 0.0024814 k( 201) = ( 0.2934730 0.7715540 -0.0000000), wk = 0.0024814 k( 202) = ( 0.2982840 0.7842025 -0.0000000), wk = 0.0024814 k( 203) = ( 0.3030950 0.7968509 -0.0000000), wk = 0.0024814 k( 204) = ( 0.3079061 0.8094993 -0.0000000), wk = 0.0024814 k( 205) = ( 0.3127171 0.8221477 -0.0000000), wk = 0.0024814 k( 206) = ( 0.3175282 0.8347962 -0.0000000), wk = 0.0024814 k( 207) = ( 0.3223392 0.8474446 -0.0000000), wk = 0.0024814 k( 208) = ( 0.3223392 0.8474446 -0.0000000), wk = 0.0024814 k( 209) = ( 0.3206168 0.8429164 0.0127369), wk = 0.0024814 k( 210) = ( 0.3188945 0.8383883 0.0254737), wk = 0.0024814 k( 211) = ( 0.3171721 0.8338601 0.0382106), wk = 0.0024814 k( 212) = ( 0.3154497 0.8293319 0.0509475), wk = 0.0024814 k( 213) = ( 0.3137274 0.8248037 0.0636843), wk = 0.0024814 k( 214) = ( 0.3120050 0.8202756 0.0764212), wk = 0.0024814 k( 215) = ( 0.3102826 0.8157474 0.0891580), wk = 0.0024814 k( 216) = ( 0.3085603 0.8112193 0.1018949), wk = 0.0024814 k( 217) = ( 0.3068379 0.8066911 0.1146318), wk = 0.0024814 k( 218) = ( 0.3051156 0.8021629 0.1273686), wk = 0.0024814 k( 219) = ( 0.3033932 0.7976347 0.1401055), wk = 0.0024814 k( 220) = ( 0.3016708 0.7931066 0.1528423), wk = 0.0024814 k( 221) = ( 0.2999485 0.7885784 0.1655792), wk = 0.0024814 k( 222) = ( 0.2982261 0.7840502 0.1783161), wk = 0.0024814 k( 223) = ( 0.2965038 0.7795221 0.1910529), wk = 0.0024814 k( 224) = ( 0.2947814 0.7749939 0.2037898), wk = 0.0024814 k( 225) = ( 0.2930590 0.7704657 0.2165267), wk = 0.0024814 k( 226) = ( 0.2913367 0.7659376 0.2292635), wk = 0.0024814 k( 227) = ( 0.2896143 0.7614094 0.2420004), wk = 0.0024814 k( 228) = ( 0.2878920 0.7568812 0.2547372), wk = 0.0024814 k( 229) = ( 0.2861696 0.7523531 0.2674741), wk = 0.0024814 k( 230) = ( 0.2844472 0.7478249 0.2802110), wk = 0.0024814 k( 231) = ( 0.2827249 0.7432967 0.2929478), wk = 0.0024814 k( 232) = ( 0.2810025 0.7387686 0.3056847), wk = 0.0024814 k( 233) = ( 0.2792801 0.7342404 0.3184215), wk = 0.0024814 k( 234) = ( 0.2775578 0.7297122 0.3311584), wk = 0.0024814 k( 235) = ( 0.2758354 0.7251841 0.3438953), wk = 0.0024814 k( 236) = ( 0.2741131 0.7206559 0.3566321), wk = 0.0024814 k( 237) = ( 0.2723907 0.7161277 0.3693690), wk = 0.0024814 k( 238) = ( 0.2706683 0.7115996 0.3821059), wk = 0.0024814 k( 239) = ( 0.2689460 0.7070714 0.3948427), wk = 0.0024814 k( 240) = ( 0.2672236 0.7025432 0.4075796), wk = 0.0024814 k( 241) = ( 0.2655013 0.6980151 0.4203164), wk = 0.0024814 k( 242) = ( 0.2637789 0.6934869 0.4330533), wk = 0.0024814 k( 243) = ( 0.2620565 0.6889587 0.4457902), wk = 0.0024814 k( 244) = ( 0.2603342 0.6844306 0.4585270), wk = 0.0024814 k( 245) = ( 0.2586118 0.6799024 0.4712639), wk = 0.0024814 k( 246) = ( 0.2568895 0.6753742 0.4840008), wk = 0.0024814 k( 247) = ( 0.2551671 0.6708460 0.4967376), wk = 0.0024814 k( 248) = ( 0.2534447 0.6663179 0.5094745), wk = 0.0024814 k( 249) = ( 0.2517224 0.6617897 0.5222114), wk = 0.0024814 k( 250) = ( 0.2500000 0.6572615 0.5349482), wk = 0.0024814 k( 251) = ( 0.2500000 0.6572615 0.5349482), wk = 0.0024814 k( 252) = ( 0.2410714 0.6606577 0.5253956), wk = 0.0024814 k( 253) = ( 0.2321429 0.6640538 0.5158429), wk = 0.0024814 k( 254) = ( 0.2232143 0.6674499 0.5062903), wk = 0.0024814 k( 255) = ( 0.2142857 0.6708461 0.4967376), wk = 0.0024814 k( 256) = ( 0.2053571 0.6742422 0.4871850), wk = 0.0024814 k( 257) = ( 0.1964286 0.6776383 0.4776323), wk = 0.0024814 k( 258) = ( 0.1875000 0.6810344 0.4680797), wk = 0.0024814 k( 259) = ( 0.1785714 0.6844306 0.4585270), wk = 0.0024814 k( 260) = ( 0.1696429 0.6878267 0.4489744), wk = 0.0024814 k( 261) = ( 0.1607143 0.6912228 0.4394217), wk = 0.0024814 k( 262) = ( 0.1517857 0.6946189 0.4298691), wk = 0.0024814 k( 263) = ( 0.1428571 0.6980151 0.4203164), wk = 0.0024814 k( 264) = ( 0.1339286 0.7014112 0.4107638), wk = 0.0024814 k( 265) = ( 0.1250000 0.7048073 0.4012112), wk = 0.0024814 k( 266) = ( 0.1160714 0.7082034 0.3916585), wk = 0.0024814 k( 267) = ( 0.1071429 0.7115996 0.3821059), wk = 0.0024814 k( 268) = ( 0.0982143 0.7149957 0.3725532), wk = 0.0024814 k( 269) = ( 0.0892857 0.7183918 0.3630006), wk = 0.0024814 k( 270) = ( 0.0803571 0.7217879 0.3534479), wk = 0.0024814 k( 271) = ( 0.0714286 0.7251841 0.3438953), wk = 0.0024814 k( 272) = ( 0.0625000 0.7285802 0.3343426), wk = 0.0024814 k( 273) = ( 0.0535714 0.7319763 0.3247900), wk = 0.0024814 k( 274) = ( 0.0446429 0.7353724 0.3152373), wk = 0.0024814 k( 275) = ( 0.0357143 0.7387686 0.3056847), wk = 0.0024814 k( 276) = ( 0.0267857 0.7421647 0.2961320), wk = 0.0024814 k( 277) = ( 0.0178571 0.7455608 0.2865794), wk = 0.0024814 k( 278) = ( 0.0089286 0.7489569 0.2770268), wk = 0.0024814 k( 279) = ( 0.0000000 0.7523531 0.2674741), wk = 0.0024814 k( 280) = ( 0.0000000 0.7523531 0.2674741), wk = 0.0024814 k( 281) = ( -0.0100731 0.7493815 0.2758327), wk = 0.0024814 k( 282) = ( -0.0201462 0.7464098 0.2841912), wk = 0.0024814 k( 283) = ( -0.0302193 0.7434382 0.2925498), wk = 0.0024814 k( 284) = ( -0.0402924 0.7404666 0.3009084), wk = 0.0024814 k( 285) = ( -0.0503655 0.7374950 0.3092669), wk = 0.0024814 k( 286) = ( -0.0604386 0.7345234 0.3176255), wk = 0.0024814 k( 287) = ( -0.0705117 0.7315518 0.3259841), wk = 0.0024814 k( 288) = ( -0.0805848 0.7285802 0.3343426), wk = 0.0024814 k( 289) = ( -0.0906579 0.7256086 0.3427012), wk = 0.0024814 k( 290) = ( -0.1007310 0.7226370 0.3510598), wk = 0.0024814 k( 291) = ( -0.1108041 0.7196654 0.3594183), wk = 0.0024814 k( 292) = ( -0.1208772 0.7166938 0.3677769), wk = 0.0024814 k( 293) = ( -0.1309503 0.7137221 0.3761355), wk = 0.0024814 k( 294) = ( -0.1410234 0.7107505 0.3844940), wk = 0.0024814 k( 295) = ( -0.1510965 0.7077789 0.3928526), wk = 0.0024814 k( 296) = ( -0.1611696 0.7048073 0.4012112), wk = 0.0024814 k( 297) = ( -0.1712427 0.7018357 0.4095697), wk = 0.0024814 k( 298) = ( -0.1813158 0.6988641 0.4179283), wk = 0.0024814 k( 299) = ( -0.1913889 0.6958925 0.4262869), wk = 0.0024814 k( 300) = ( -0.2014620 0.6929209 0.4346454), wk = 0.0024814 k( 301) = ( -0.2115351 0.6899492 0.4430040), wk = 0.0024814 k( 302) = ( -0.2216082 0.6869777 0.4513626), wk = 0.0024814 k( 303) = ( -0.2316813 0.6840061 0.4597211), wk = 0.0024814 k( 304) = ( -0.2417544 0.6810344 0.4680797), wk = 0.0024814 k( 305) = ( -0.2518275 0.6780628 0.4764383), wk = 0.0024814 k( 306) = ( -0.2619006 0.6750912 0.4847968), wk = 0.0024814 k( 307) = ( -0.2719737 0.6721196 0.4931554), wk = 0.0024814 k( 308) = ( -0.2820468 0.6691480 0.5015139), wk = 0.0024814 k( 309) = ( -0.2921199 0.6661764 0.5098725), wk = 0.0024814 k( 310) = ( -0.3021930 0.6632048 0.5182311), wk = 0.0024814 k( 311) = ( -0.3122661 0.6602332 0.5265896), wk = 0.0024814 k( 312) = ( -0.3223392 0.6572615 0.5349482), wk = 0.0024814 k( 313) = ( -0.3223392 0.6572615 0.5349482), wk = 0.0024814 k( 314) = ( -0.3271408 0.6446378 0.5349482), wk = 0.0024814 k( 315) = ( -0.3319425 0.6320141 0.5349482), wk = 0.0024814 k( 316) = ( -0.3367441 0.6193903 0.5349482), wk = 0.0024814 k( 317) = ( -0.3415457 0.6067666 0.5349482), wk = 0.0024814 k( 318) = ( -0.3463474 0.5941428 0.5349482), wk = 0.0024814 k( 319) = ( -0.3511490 0.5815191 0.5349482), wk = 0.0024814 k( 320) = ( -0.3559507 0.5688954 0.5349482), wk = 0.0024814 k( 321) = ( -0.3607523 0.5562716 0.5349482), wk = 0.0024814 k( 322) = ( -0.3655540 0.5436479 0.5349482), wk = 0.0024814 k( 323) = ( -0.3703556 0.5310241 0.5349482), wk = 0.0024814 k( 324) = ( -0.3751573 0.5184004 0.5349482), wk = 0.0024814 k( 325) = ( -0.3799589 0.5057766 0.5349482), wk = 0.0024814 k( 326) = ( -0.3847605 0.4931529 0.5349482), wk = 0.0024814 k( 327) = ( -0.3895622 0.4805291 0.5349482), wk = 0.0024814 k( 328) = ( -0.3943638 0.4679054 0.5349482), wk = 0.0024814 k( 329) = ( -0.3991655 0.4552817 0.5349482), wk = 0.0024814 k( 330) = ( -0.4039671 0.4426579 0.5349482), wk = 0.0024814 k( 331) = ( -0.4087688 0.4300342 0.5349482), wk = 0.0024814 k( 332) = ( -0.4135704 0.4174104 0.5349482), wk = 0.0024814 k( 333) = ( -0.4183720 0.4047867 0.5349482), wk = 0.0024814 k( 334) = ( -0.4231737 0.3921629 0.5349482), wk = 0.0024814 k( 335) = ( -0.4279753 0.3795392 0.5349482), wk = 0.0024814 k( 336) = ( -0.4327770 0.3669154 0.5349482), wk = 0.0024814 k( 337) = ( -0.4375786 0.3542917 0.5349482), wk = 0.0024814 k( 338) = ( -0.4423803 0.3416680 0.5349482), wk = 0.0024814 k( 339) = ( -0.4471819 0.3290442 0.5349482), wk = 0.0024814 k( 340) = ( -0.4519836 0.3164205 0.5349482), wk = 0.0024814 k( 341) = ( -0.4567852 0.3037967 0.5349482), wk = 0.0024814 k( 342) = ( -0.4615868 0.2911730 0.5349482), wk = 0.0024814 k( 343) = ( -0.4663885 0.2785493 0.5349482), wk = 0.0024814 k( 344) = ( -0.4711901 0.2659255 0.5349482), wk = 0.0024814 k( 345) = ( -0.4759918 0.2533018 0.5349482), wk = 0.0024814 k( 346) = ( -0.4807934 0.2406780 0.5349482), wk = 0.0024814 k( 347) = ( -0.4855951 0.2280543 0.5349482), wk = 0.0024814 k( 348) = ( -0.4903967 0.2154305 0.5349482), wk = 0.0024814 k( 349) = ( -0.4951984 0.2028068 0.5349482), wk = 0.0024814 k( 350) = ( -0.5000000 0.1901830 0.5349482), wk = 0.0024814 k( 351) = ( 0.0000000 0.0000000 0.5349482), wk = 0.0024814 k( 352) = ( 0.0048077 0.0126396 0.5349482), wk = 0.0024814 k( 353) = ( 0.0096154 0.0252793 0.5349482), wk = 0.0024814 k( 354) = ( 0.0144231 0.0379189 0.5349482), wk = 0.0024814 k( 355) = ( 0.0192308 0.0505586 0.5349482), wk = 0.0024814 k( 356) = ( 0.0240385 0.0631982 0.5349482), wk = 0.0024814 k( 357) = ( 0.0288462 0.0758379 0.5349482), wk = 0.0024814 k( 358) = ( 0.0336538 0.0884775 0.5349482), wk = 0.0024814 k( 359) = ( 0.0384615 0.1011172 0.5349482), wk = 0.0024814 k( 360) = ( 0.0432692 0.1137568 0.5349482), wk = 0.0024814 k( 361) = ( 0.0480769 0.1263964 0.5349482), wk = 0.0024814 k( 362) = ( 0.0528846 0.1390361 0.5349482), wk = 0.0024814 k( 363) = ( 0.0576923 0.1516757 0.5349482), wk = 0.0024814 k( 364) = ( 0.0625000 0.1643154 0.5349482), wk = 0.0024814 k( 365) = ( 0.0673077 0.1769550 0.5349482), wk = 0.0024814 k( 366) = ( 0.0721154 0.1895947 0.5349482), wk = 0.0024814 k( 367) = ( 0.0769231 0.2022343 0.5349482), wk = 0.0024814 k( 368) = ( 0.0817308 0.2148740 0.5349482), wk = 0.0024814 k( 369) = ( 0.0865385 0.2275136 0.5349482), wk = 0.0024814 k( 370) = ( 0.0913462 0.2401532 0.5349482), wk = 0.0024814 k( 371) = ( 0.0961538 0.2527929 0.5349482), wk = 0.0024814 k( 372) = ( 0.1009615 0.2654326 0.5349482), wk = 0.0024814 k( 373) = ( 0.1057692 0.2780722 0.5349482), wk = 0.0024814 k( 374) = ( 0.1105769 0.2907118 0.5349482), wk = 0.0024814 k( 375) = ( 0.1153846 0.3033515 0.5349482), wk = 0.0024814 k( 376) = ( 0.1201923 0.3159911 0.5349482), wk = 0.0024814 k( 377) = ( 0.1250000 0.3286308 0.5349482), wk = 0.0024814 k( 378) = ( 0.1298077 0.3412704 0.5349482), wk = 0.0024814 k( 379) = ( 0.1346154 0.3539101 0.5349482), wk = 0.0024814 k( 380) = ( 0.1394231 0.3665497 0.5349482), wk = 0.0024814 k( 381) = ( 0.1442308 0.3791894 0.5349482), wk = 0.0024814 k( 382) = ( 0.1490385 0.3918290 0.5349482), wk = 0.0024814 k( 383) = ( 0.1538461 0.4044686 0.5349482), wk = 0.0024814 k( 384) = ( 0.1586539 0.4171083 0.5349482), wk = 0.0024814 k( 385) = ( 0.1634615 0.4297479 0.5349482), wk = 0.0024814 k( 386) = ( 0.1682692 0.4423876 0.5349482), wk = 0.0024814 k( 387) = ( 0.1730769 0.4550272 0.5349482), wk = 0.0024814 k( 388) = ( 0.1778846 0.4676669 0.5349482), wk = 0.0024814 k( 389) = ( 0.1826923 0.4803065 0.5349482), wk = 0.0024814 k( 390) = ( 0.1875000 0.4929462 0.5349482), wk = 0.0024814 k( 391) = ( 0.1923077 0.5055858 0.5349482), wk = 0.0024814 k( 392) = ( 0.1971154 0.5182254 0.5349482), wk = 0.0024814 k( 393) = ( 0.2019231 0.5308651 0.5349482), wk = 0.0024814 k( 394) = ( 0.2067308 0.5435047 0.5349482), wk = 0.0024814 k( 395) = ( 0.2115385 0.5561444 0.5349482), wk = 0.0024814 k( 396) = ( 0.2163461 0.5687840 0.5349482), wk = 0.0024814 k( 397) = ( 0.2211539 0.5814237 0.5349482), wk = 0.0024814 k( 398) = ( 0.2259615 0.5940633 0.5349482), wk = 0.0024814 k( 399) = ( 0.2307692 0.6067030 0.5349482), wk = 0.0024814 k( 400) = ( 0.2355769 0.6193426 0.5349482), wk = 0.0024814 k( 401) = ( 0.2403846 0.6319823 0.5349482), wk = 0.0024814 k( 402) = ( 0.2451923 0.6446219 0.5349482), wk = 0.0024814 k( 403) = ( 0.2500000 0.6572615 0.5349482), wk = 0.0024814 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0024814 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024814 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0024814 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024814 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024814 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024814 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0024814 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024814 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0024814 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024814 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0024814 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024814 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0024814 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024814 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024814 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024814 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0024814 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024814 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0024814 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024814 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0024814 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024814 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0024814 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024814 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024814 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024814 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0024814 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024814 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0024814 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024814 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0024814 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024814 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0024814 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024814 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024814 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024814 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0024814 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024814 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0024814 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 43) = ( -0.0125000 0.0125000 0.5000000), wk = 0.0024814 k( 44) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0024814 k( 45) = ( -0.0375000 0.0375000 0.5000000), wk = 0.0024814 k( 46) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0024814 k( 47) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0024814 k( 48) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0024814 k( 49) = ( -0.0875000 0.0875000 0.5000000), wk = 0.0024814 k( 50) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0024814 k( 51) = ( -0.1125000 0.1125000 0.5000000), wk = 0.0024814 k( 52) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024814 k( 53) = ( -0.1375000 0.1375000 0.5000000), wk = 0.0024814 k( 54) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0024814 k( 55) = ( -0.1625000 0.1625000 0.5000000), wk = 0.0024814 k( 56) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0024814 k( 57) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0024814 k( 58) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0024814 k( 59) = ( -0.2125000 0.2125000 0.5000000), wk = 0.0024814 k( 60) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0024814 k( 61) = ( -0.2375000 0.2375000 0.5000000), wk = 0.0024814 k( 62) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024814 k( 63) = ( -0.2625000 0.2625000 0.5000000), wk = 0.0024814 k( 64) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0024814 k( 65) = ( -0.2875000 0.2875000 0.5000000), wk = 0.0024814 k( 66) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0024814 k( 67) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0024814 k( 68) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0024814 k( 69) = ( -0.3375000 0.3375000 0.5000000), wk = 0.0024814 k( 70) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0024814 k( 71) = ( -0.3625000 0.3625000 0.5000000), wk = 0.0024814 k( 72) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024814 k( 73) = ( -0.3875000 0.3875000 0.5000000), wk = 0.0024814 k( 74) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0024814 k( 75) = ( -0.4125000 0.4125000 0.5000000), wk = 0.0024814 k( 76) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0024814 k( 77) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0024814 k( 78) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0024814 k( 79) = ( -0.4625000 0.4625000 0.5000000), wk = 0.0024814 k( 80) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0024814 k( 81) = ( -0.4875000 0.4875000 0.5000000), wk = 0.0024814 k( 82) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 83) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 84) = ( -0.4910714 0.4910714 0.4910714), wk = 0.0024814 k( 85) = ( -0.4821429 0.4821429 0.4821429), wk = 0.0024814 k( 86) = ( -0.4732143 0.4732143 0.4732143), wk = 0.0024814 k( 87) = ( -0.4642857 0.4642857 0.4642857), wk = 0.0024814 k( 88) = ( -0.4553571 0.4553571 0.4553571), wk = 0.0024814 k( 89) = ( -0.4464286 0.4464286 0.4464286), wk = 0.0024814 k( 90) = ( -0.4375000 0.4375000 0.4375000), wk = 0.0024814 k( 91) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0024814 k( 92) = ( -0.4196429 0.4196429 0.4196429), wk = 0.0024814 k( 93) = ( -0.4107143 0.4107143 0.4107143), wk = 0.0024814 k( 94) = ( -0.4017857 0.4017857 0.4017857), wk = 0.0024814 k( 95) = ( -0.3928571 0.3928571 0.3928571), wk = 0.0024814 k( 96) = ( -0.3839286 0.3839286 0.3839286), wk = 0.0024814 k( 97) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0024814 k( 98) = ( -0.3660714 0.3660714 0.3660714), wk = 0.0024814 k( 99) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0024814 k( 100) = ( -0.3482143 0.3482143 0.3482143), wk = 0.0024814 k( 101) = ( -0.3392857 0.3392857 0.3392857), wk = 0.0024814 k( 102) = ( -0.3303571 0.3303571 0.3303571), wk = 0.0024814 k( 103) = ( -0.3214286 0.3214286 0.3214286), wk = 0.0024814 k( 104) = ( -0.3125000 0.3125000 0.3125000), wk = 0.0024814 k( 105) = ( -0.3035714 0.3035714 0.3035714), wk = 0.0024814 k( 106) = ( -0.2946429 0.2946429 0.2946429), wk = 0.0024814 k( 107) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0024814 k( 108) = ( -0.2767857 0.2767857 0.2767857), wk = 0.0024814 k( 109) = ( -0.2678571 0.2678571 0.2678571), wk = 0.0024814 k( 110) = ( -0.2589286 0.2589286 0.2589286), wk = 0.0024814 k( 111) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0024814 k( 112) = ( -0.2410714 0.2410714 0.2410714), wk = 0.0024814 k( 113) = ( -0.2321429 0.2321429 0.2321429), wk = 0.0024814 k( 114) = ( -0.2232143 0.2232143 0.2232143), wk = 0.0024814 k( 115) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0024814 k( 116) = ( -0.2053571 0.2053571 0.2053571), wk = 0.0024814 k( 117) = ( -0.1964286 0.1964286 0.1964286), wk = 0.0024814 k( 118) = ( -0.1875000 0.1875000 0.1875000), wk = 0.0024814 k( 119) = ( -0.1785714 0.1785714 0.1785714), wk = 0.0024814 k( 120) = ( -0.1696429 0.1696429 0.1696429), wk = 0.0024814 k( 121) = ( -0.1607143 0.1607143 0.1607143), wk = 0.0024814 k( 122) = ( -0.1517857 0.1517857 0.1517857), wk = 0.0024814 k( 123) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0024814 k( 124) = ( -0.1339286 0.1339286 0.1339286), wk = 0.0024814 k( 125) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0024814 k( 126) = ( -0.1160714 0.1160714 0.1160714), wk = 0.0024814 k( 127) = ( -0.1071429 0.1071429 0.1071429), wk = 0.0024814 k( 128) = ( -0.0982143 0.0982143 0.0982143), wk = 0.0024814 k( 129) = ( -0.0892857 0.0892857 0.0892857), wk = 0.0024814 k( 130) = ( -0.0803571 0.0803571 0.0803571), wk = 0.0024814 k( 131) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0024814 k( 132) = ( -0.0625000 0.0625000 0.0625000), wk = 0.0024814 k( 133) = ( -0.0535714 0.0535714 0.0535714), wk = 0.0024814 k( 134) = ( -0.0446429 0.0446429 0.0446429), wk = 0.0024814 k( 135) = ( -0.0357143 0.0357143 0.0357143), wk = 0.0024814 k( 136) = ( -0.0267857 0.0267857 0.0267857), wk = 0.0024814 k( 137) = ( -0.0178571 0.0178571 0.0178571), wk = 0.0024814 k( 138) = ( -0.0089286 0.0089286 0.0089286), wk = 0.0024814 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 141) = ( 0.0048110 0.0048110 -0.0048110), wk = 0.0024814 k( 142) = ( 0.0096221 0.0096221 -0.0096221), wk = 0.0024814 k( 143) = ( 0.0144331 0.0144331 -0.0144331), wk = 0.0024814 k( 144) = ( 0.0192441 0.0192441 -0.0192441), wk = 0.0024814 k( 145) = ( 0.0240552 0.0240552 -0.0240552), wk = 0.0024814 k( 146) = ( 0.0288662 0.0288662 -0.0288662), wk = 0.0024814 k( 147) = ( 0.0336772 0.0336772 -0.0336772), wk = 0.0024814 k( 148) = ( 0.0384883 0.0384883 -0.0384883), wk = 0.0024814 k( 149) = ( 0.0432993 0.0432993 -0.0432993), wk = 0.0024814 k( 150) = ( 0.0481103 0.0481103 -0.0481103), wk = 0.0024814 k( 151) = ( 0.0529214 0.0529214 -0.0529214), wk = 0.0024814 k( 152) = ( 0.0577324 0.0577324 -0.0577324), wk = 0.0024814 k( 153) = ( 0.0625434 0.0625434 -0.0625434), wk = 0.0024814 k( 154) = ( 0.0673545 0.0673545 -0.0673545), wk = 0.0024814 k( 155) = ( 0.0721655 0.0721655 -0.0721655), wk = 0.0024814 k( 156) = ( 0.0769765 0.0769765 -0.0769765), wk = 0.0024814 k( 157) = ( 0.0817876 0.0817875 -0.0817876), wk = 0.0024814 k( 158) = ( 0.0865986 0.0865986 -0.0865986), wk = 0.0024814 k( 159) = ( 0.0914096 0.0914096 -0.0914096), wk = 0.0024814 k( 160) = ( 0.0962207 0.0962207 -0.0962207), wk = 0.0024814 k( 161) = ( 0.1010317 0.1010317 -0.1010317), wk = 0.0024814 k( 162) = ( 0.1058427 0.1058427 -0.1058427), wk = 0.0024814 k( 163) = ( 0.1106537 0.1106537 -0.1106538), wk = 0.0024814 k( 164) = ( 0.1154648 0.1154648 -0.1154648), wk = 0.0024814 k( 165) = ( 0.1202758 0.1202758 -0.1202758), wk = 0.0024814 k( 166) = ( 0.1250868 0.1250868 -0.1250869), wk = 0.0024814 k( 167) = ( 0.1298979 0.1298979 -0.1298979), wk = 0.0024814 k( 168) = ( 0.1347089 0.1347089 -0.1347089), wk = 0.0024814 k( 169) = ( 0.1395199 0.1395199 -0.1395199), wk = 0.0024814 k( 170) = ( 0.1443310 0.1443310 -0.1443310), wk = 0.0024814 k( 171) = ( 0.1491420 0.1491420 -0.1491420), wk = 0.0024814 k( 172) = ( 0.1539530 0.1539530 -0.1539530), wk = 0.0024814 k( 173) = ( 0.1587641 0.1587641 -0.1587641), wk = 0.0024814 k( 174) = ( 0.1635751 0.1635751 -0.1635751), wk = 0.0024814 k( 175) = ( 0.1683861 0.1683861 -0.1683861), wk = 0.0024814 k( 176) = ( 0.1731972 0.1731972 -0.1731972), wk = 0.0024814 k( 177) = ( 0.1780082 0.1780082 -0.1780082), wk = 0.0024814 k( 178) = ( 0.1828192 0.1828192 -0.1828192), wk = 0.0024814 k( 179) = ( 0.1876303 0.1876303 -0.1876303), wk = 0.0024814 k( 180) = ( 0.1924413 0.1924413 -0.1924413), wk = 0.0024814 k( 181) = ( 0.1972523 0.1972523 -0.1972523), wk = 0.0024814 k( 182) = ( 0.2020634 0.2020634 -0.2020634), wk = 0.0024814 k( 183) = ( 0.2068744 0.2068744 -0.2068744), wk = 0.0024814 k( 184) = ( 0.2116854 0.2116854 -0.2116854), wk = 0.0024814 k( 185) = ( 0.2164965 0.2164965 -0.2164965), wk = 0.0024814 k( 186) = ( 0.2213075 0.2213075 -0.2213075), wk = 0.0024814 k( 187) = ( 0.2261185 0.2261185 -0.2261185), wk = 0.0024814 k( 188) = ( 0.2309296 0.2309296 -0.2309296), wk = 0.0024814 k( 189) = ( 0.2357406 0.2357406 -0.2357406), wk = 0.0024814 k( 190) = ( 0.2405516 0.2405516 -0.2405516), wk = 0.0024814 k( 191) = ( 0.2453627 0.2453627 -0.2453627), wk = 0.0024814 k( 192) = ( 0.2501737 0.2501737 -0.2501737), wk = 0.0024814 k( 193) = ( 0.2549847 0.2549847 -0.2549847), wk = 0.0024814 k( 194) = ( 0.2597958 0.2597958 -0.2597958), wk = 0.0024814 k( 195) = ( 0.2646068 0.2646068 -0.2646068), wk = 0.0024814 k( 196) = ( 0.2694178 0.2694178 -0.2694178), wk = 0.0024814 k( 197) = ( 0.2742289 0.2742288 -0.2742289), wk = 0.0024814 k( 198) = ( 0.2790399 0.2790399 -0.2790399), wk = 0.0024814 k( 199) = ( 0.2838509 0.2838509 -0.2838509), wk = 0.0024814 k( 200) = ( 0.2886620 0.2886620 -0.2886620), wk = 0.0024814 k( 201) = ( 0.2934730 0.2934730 -0.2934730), wk = 0.0024814 k( 202) = ( 0.2982840 0.2982840 -0.2982840), wk = 0.0024814 k( 203) = ( 0.3030950 0.3030950 -0.3030950), wk = 0.0024814 k( 204) = ( 0.3079061 0.3079061 -0.3079061), wk = 0.0024814 k( 205) = ( 0.3127171 0.3127171 -0.3127171), wk = 0.0024814 k( 206) = ( 0.3175282 0.3175282 -0.3175282), wk = 0.0024814 k( 207) = ( 0.3223392 0.3223392 -0.3223392), wk = 0.0024814 k( 208) = ( 0.3223392 0.3223392 -0.3223392), wk = 0.0024814 k( 209) = ( 0.3206168 0.3206168 -0.3087121), wk = 0.0024814 k( 210) = ( 0.3188945 0.3188945 -0.2950849), wk = 0.0024814 k( 211) = ( 0.3171721 0.3171721 -0.2814578), wk = 0.0024814 k( 212) = ( 0.3154497 0.3154497 -0.2678307), wk = 0.0024814 k( 213) = ( 0.3137274 0.3137274 -0.2542036), wk = 0.0024814 k( 214) = ( 0.3120050 0.3120050 -0.2405764), wk = 0.0024814 k( 215) = ( 0.3102826 0.3102826 -0.2269493), wk = 0.0024814 k( 216) = ( 0.3085603 0.3085603 -0.2133222), wk = 0.0024814 k( 217) = ( 0.3068379 0.3068379 -0.1996951), wk = 0.0024814 k( 218) = ( 0.3051156 0.3051156 -0.1860679), wk = 0.0024814 k( 219) = ( 0.3033932 0.3033932 -0.1724408), wk = 0.0024814 k( 220) = ( 0.3016708 0.3016708 -0.1588137), wk = 0.0024814 k( 221) = ( 0.2999485 0.2999485 -0.1451866), wk = 0.0024814 k( 222) = ( 0.2982261 0.2982261 -0.1315595), wk = 0.0024814 k( 223) = ( 0.2965038 0.2965038 -0.1179323), wk = 0.0024814 k( 224) = ( 0.2947814 0.2947814 -0.1043052), wk = 0.0024814 k( 225) = ( 0.2930590 0.2930590 -0.0906781), wk = 0.0024814 k( 226) = ( 0.2913367 0.2913367 -0.0770510), wk = 0.0024814 k( 227) = ( 0.2896143 0.2896143 -0.0634238), wk = 0.0024814 k( 228) = ( 0.2878920 0.2878919 -0.0497967), wk = 0.0024814 k( 229) = ( 0.2861696 0.2861696 -0.0361696), wk = 0.0024814 k( 230) = ( 0.2844472 0.2844472 -0.0225425), wk = 0.0024814 k( 231) = ( 0.2827249 0.2827249 -0.0089153), wk = 0.0024814 k( 232) = ( 0.2810025 0.2810025 0.0047118), wk = 0.0024814 k( 233) = ( 0.2792801 0.2792801 0.0183389), wk = 0.0024814 k( 234) = ( 0.2775578 0.2775578 0.0319660), wk = 0.0024814 k( 235) = ( 0.2758354 0.2758354 0.0455931), wk = 0.0024814 k( 236) = ( 0.2741131 0.2741131 0.0592203), wk = 0.0024814 k( 237) = ( 0.2723907 0.2723907 0.0728474), wk = 0.0024814 k( 238) = ( 0.2706683 0.2706683 0.0864745), wk = 0.0024814 k( 239) = ( 0.2689460 0.2689460 0.1001016), wk = 0.0024814 k( 240) = ( 0.2672236 0.2672236 0.1137288), wk = 0.0024814 k( 241) = ( 0.2655013 0.2655013 0.1273559), wk = 0.0024814 k( 242) = ( 0.2637789 0.2637789 0.1409830), wk = 0.0024814 k( 243) = ( 0.2620565 0.2620565 0.1546101), wk = 0.0024814 k( 244) = ( 0.2603342 0.2603342 0.1682373), wk = 0.0024814 k( 245) = ( 0.2586118 0.2586118 0.1818644), wk = 0.0024814 k( 246) = ( 0.2568895 0.2568895 0.1954915), wk = 0.0024814 k( 247) = ( 0.2551671 0.2551671 0.2091186), wk = 0.0024814 k( 248) = ( 0.2534447 0.2534447 0.2227457), wk = 0.0024814 k( 249) = ( 0.2517224 0.2517224 0.2363729), wk = 0.0024814 k( 250) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024814 k( 251) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024814 k( 252) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0024814 k( 253) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0024814 k( 254) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0024814 k( 255) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0024814 k( 256) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0024814 k( 257) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0024814 k( 258) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024814 k( 259) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0024814 k( 260) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0024814 k( 261) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0024814 k( 262) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0024814 k( 263) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0024814 k( 264) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0024814 k( 265) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024814 k( 266) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0024814 k( 267) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0024814 k( 268) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0024814 k( 269) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0024814 k( 270) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0024814 k( 271) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0024814 k( 272) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024814 k( 273) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0024814 k( 274) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0024814 k( 275) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0024814 k( 276) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0024814 k( 277) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0024814 k( 278) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0024814 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 280) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 281) = ( -0.0100731 0.5055519 0.0100731), wk = 0.0024814 k( 282) = ( -0.0201462 0.5111038 0.0201462), wk = 0.0024814 k( 283) = ( -0.0302193 0.5166557 0.0302193), wk = 0.0024814 k( 284) = ( -0.0402924 0.5222076 0.0402924), wk = 0.0024814 k( 285) = ( -0.0503655 0.5277595 0.0503655), wk = 0.0024814 k( 286) = ( -0.0604386 0.5333114 0.0604386), wk = 0.0024814 k( 287) = ( -0.0705117 0.5388633 0.0705117), wk = 0.0024814 k( 288) = ( -0.0805848 0.5444152 0.0805848), wk = 0.0024814 k( 289) = ( -0.0906579 0.5499671 0.0906579), wk = 0.0024814 k( 290) = ( -0.1007310 0.5555190 0.1007310), wk = 0.0024814 k( 291) = ( -0.1108041 0.5610709 0.1108041), wk = 0.0024814 k( 292) = ( -0.1208772 0.5666228 0.1208772), wk = 0.0024814 k( 293) = ( -0.1309503 0.5721747 0.1309503), wk = 0.0024814 k( 294) = ( -0.1410234 0.5777266 0.1410234), wk = 0.0024814 k( 295) = ( -0.1510965 0.5832785 0.1510965), wk = 0.0024814 k( 296) = ( -0.1611696 0.5888304 0.1611696), wk = 0.0024814 k( 297) = ( -0.1712427 0.5943823 0.1712427), wk = 0.0024814 k( 298) = ( -0.1813158 0.5999342 0.1813158), wk = 0.0024814 k( 299) = ( -0.1913889 0.6054861 0.1913889), wk = 0.0024814 k( 300) = ( -0.2014620 0.6110380 0.2014620), wk = 0.0024814 k( 301) = ( -0.2115351 0.6165899 0.2115351), wk = 0.0024814 k( 302) = ( -0.2216082 0.6221418 0.2216082), wk = 0.0024814 k( 303) = ( -0.2316813 0.6276937 0.2316813), wk = 0.0024814 k( 304) = ( -0.2417544 0.6332456 0.2417544), wk = 0.0024814 k( 305) = ( -0.2518275 0.6387975 0.2518275), wk = 0.0024814 k( 306) = ( -0.2619006 0.6443494 0.2619006), wk = 0.0024814 k( 307) = ( -0.2719737 0.6499013 0.2719737), wk = 0.0024814 k( 308) = ( -0.2820468 0.6554532 0.2820468), wk = 0.0024814 k( 309) = ( -0.2921199 0.6610051 0.2921199), wk = 0.0024814 k( 310) = ( -0.3021930 0.6665570 0.3021930), wk = 0.0024814 k( 311) = ( -0.3122661 0.6721089 0.3122661), wk = 0.0024814 k( 312) = ( -0.3223392 0.6776608 0.3223392), wk = 0.0024814 k( 313) = ( -0.3223392 0.6776608 0.3223392), wk = 0.0024814 k( 314) = ( -0.3271408 0.6728592 0.3271408), wk = 0.0024814 k( 315) = ( -0.3319425 0.6680575 0.3319425), wk = 0.0024814 k( 316) = ( -0.3367441 0.6632559 0.3367441), wk = 0.0024814 k( 317) = ( -0.3415457 0.6584542 0.3415458), wk = 0.0024814 k( 318) = ( -0.3463474 0.6536526 0.3463474), wk = 0.0024814 k( 319) = ( -0.3511490 0.6488510 0.3511490), wk = 0.0024814 k( 320) = ( -0.3559507 0.6440493 0.3559507), wk = 0.0024814 k( 321) = ( -0.3607523 0.6392477 0.3607523), wk = 0.0024814 k( 322) = ( -0.3655540 0.6344460 0.3655540), wk = 0.0024814 k( 323) = ( -0.3703556 0.6296444 0.3703556), wk = 0.0024814 k( 324) = ( -0.3751573 0.6248427 0.3751573), wk = 0.0024814 k( 325) = ( -0.3799589 0.6200411 0.3799589), wk = 0.0024814 k( 326) = ( -0.3847605 0.6152395 0.3847606), wk = 0.0024814 k( 327) = ( -0.3895622 0.6104378 0.3895622), wk = 0.0024814 k( 328) = ( -0.3943638 0.6056362 0.3943638), wk = 0.0024814 k( 329) = ( -0.3991655 0.6008345 0.3991655), wk = 0.0024814 k( 330) = ( -0.4039671 0.5960329 0.4039671), wk = 0.0024814 k( 331) = ( -0.4087688 0.5912312 0.4087688), wk = 0.0024814 k( 332) = ( -0.4135704 0.5864296 0.4135704), wk = 0.0024814 k( 333) = ( -0.4183720 0.5816279 0.4183721), wk = 0.0024814 k( 334) = ( -0.4231737 0.5768263 0.4231737), wk = 0.0024814 k( 335) = ( -0.4279753 0.5720247 0.4279753), wk = 0.0024814 k( 336) = ( -0.4327770 0.5672230 0.4327770), wk = 0.0024814 k( 337) = ( -0.4375786 0.5624214 0.4375786), wk = 0.0024814 k( 338) = ( -0.4423803 0.5576197 0.4423803), wk = 0.0024814 k( 339) = ( -0.4471819 0.5528181 0.4471819), wk = 0.0024814 k( 340) = ( -0.4519836 0.5480164 0.4519836), wk = 0.0024814 k( 341) = ( -0.4567852 0.5432148 0.4567852), wk = 0.0024814 k( 342) = ( -0.4615868 0.5384132 0.4615869), wk = 0.0024814 k( 343) = ( -0.4663885 0.5336115 0.4663885), wk = 0.0024814 k( 344) = ( -0.4711901 0.5288099 0.4711901), wk = 0.0024814 k( 345) = ( -0.4759918 0.5240082 0.4759918), wk = 0.0024814 k( 346) = ( -0.4807934 0.5192066 0.4807934), wk = 0.0024814 k( 347) = ( -0.4855951 0.5144049 0.4855951), wk = 0.0024814 k( 348) = ( -0.4903967 0.5096033 0.4903967), wk = 0.0024814 k( 349) = ( -0.4951984 0.5048016 0.4951984), wk = 0.0024814 k( 350) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 351) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 352) = ( 0.0048077 0.0048077 0.4951923), wk = 0.0024814 k( 353) = ( 0.0096154 0.0096154 0.4903846), wk = 0.0024814 k( 354) = ( 0.0144231 0.0144231 0.4855769), wk = 0.0024814 k( 355) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0024814 k( 356) = ( 0.0240385 0.0240385 0.4759615), wk = 0.0024814 k( 357) = ( 0.0288462 0.0288462 0.4711538), wk = 0.0024814 k( 358) = ( 0.0336538 0.0336538 0.4663462), wk = 0.0024814 k( 359) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0024814 k( 360) = ( 0.0432692 0.0432692 0.4567308), wk = 0.0024814 k( 361) = ( 0.0480769 0.0480769 0.4519231), wk = 0.0024814 k( 362) = ( 0.0528846 0.0528846 0.4471154), wk = 0.0024814 k( 363) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0024814 k( 364) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0024814 k( 365) = ( 0.0673077 0.0673077 0.4326923), wk = 0.0024814 k( 366) = ( 0.0721154 0.0721154 0.4278846), wk = 0.0024814 k( 367) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0024814 k( 368) = ( 0.0817308 0.0817308 0.4182692), wk = 0.0024814 k( 369) = ( 0.0865385 0.0865385 0.4134615), wk = 0.0024814 k( 370) = ( 0.0913462 0.0913462 0.4086539), wk = 0.0024814 k( 371) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0024814 k( 372) = ( 0.1009615 0.1009615 0.3990385), wk = 0.0024814 k( 373) = ( 0.1057692 0.1057692 0.3942308), wk = 0.0024814 k( 374) = ( 0.1105769 0.1105769 0.3894231), wk = 0.0024814 k( 375) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0024814 k( 376) = ( 0.1201923 0.1201923 0.3798077), wk = 0.0024814 k( 377) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024814 k( 378) = ( 0.1298077 0.1298077 0.3701923), wk = 0.0024814 k( 379) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0024814 k( 380) = ( 0.1394231 0.1394231 0.3605769), wk = 0.0024814 k( 381) = ( 0.1442308 0.1442308 0.3557692), wk = 0.0024814 k( 382) = ( 0.1490385 0.1490385 0.3509615), wk = 0.0024814 k( 383) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0024814 k( 384) = ( 0.1586539 0.1586539 0.3413462), wk = 0.0024814 k( 385) = ( 0.1634615 0.1634615 0.3365385), wk = 0.0024814 k( 386) = ( 0.1682692 0.1682692 0.3317308), wk = 0.0024814 k( 387) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0024814 k( 388) = ( 0.1778846 0.1778846 0.3221154), wk = 0.0024814 k( 389) = ( 0.1826923 0.1826923 0.3173077), wk = 0.0024814 k( 390) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0024814 k( 391) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0024814 k( 392) = ( 0.1971154 0.1971154 0.3028846), wk = 0.0024814 k( 393) = ( 0.2019231 0.2019231 0.2980769), wk = 0.0024814 k( 394) = ( 0.2067308 0.2067308 0.2932692), wk = 0.0024814 k( 395) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0024814 k( 396) = ( 0.2163461 0.2163462 0.2836538), wk = 0.0024814 k( 397) = ( 0.2211539 0.2211539 0.2788462), wk = 0.0024814 k( 398) = ( 0.2259615 0.2259615 0.2740385), wk = 0.0024814 k( 399) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0024814 k( 400) = ( 0.2355769 0.2355769 0.2644231), wk = 0.0024814 k( 401) = ( 0.2403846 0.2403846 0.2596154), wk = 0.0024814 k( 402) = ( 0.2451923 0.2451923 0.2548077), wk = 0.0024814 k( 403) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024814 Dense grid: 23791 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 11407 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 90, 28) NL pseudopotentials 0.05 Mb ( 45, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 662) G-vector shells 0.00 Mb ( 307) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 90, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 68, 2, 28) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Sr.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.1 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.4 secs Computing kpt #: 18 total cpu time spent up to now is 5.6 secs Computing kpt #: 19 total cpu time spent up to now is 5.7 secs Computing kpt #: 20 total cpu time spent up to now is 5.9 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.3 secs Computing kpt #: 24 total cpu time spent up to now is 6.5 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.7 secs Computing kpt #: 27 total cpu time spent up to now is 6.8 secs Computing kpt #: 28 total cpu time spent up to now is 7.0 secs Computing kpt #: 29 total cpu time spent up to now is 7.1 secs Computing kpt #: 30 total cpu time spent up to now is 7.2 secs Computing kpt #: 31 total cpu time spent up to now is 7.3 secs Computing kpt #: 32 total cpu time spent up to now is 7.4 secs Computing kpt #: 33 total cpu time spent up to now is 7.5 secs Computing kpt #: 34 total cpu time spent up to now is 7.7 secs Computing kpt #: 35 total cpu time spent up to now is 7.8 secs Computing kpt #: 36 total cpu time spent up to now is 7.9 secs Computing kpt #: 37 total cpu time spent up to now is 8.0 secs Computing kpt #: 38 total cpu time spent up to now is 8.2 secs Computing kpt #: 39 total cpu time spent up to now is 8.3 secs Computing kpt #: 40 total cpu time spent up to now is 8.4 secs Computing kpt #: 41 total cpu time spent up to now is 8.5 secs Computing kpt #: 42 total cpu time spent up to now is 8.6 secs Computing kpt #: 43 total cpu time spent up to now is 8.7 secs Computing kpt #: 44 total cpu time spent up to now is 8.8 secs Computing kpt #: 45 total cpu time spent up to now is 9.0 secs Computing kpt #: 46 total cpu time spent up to now is 9.1 secs Computing kpt #: 47 total cpu time spent up to now is 9.2 secs Computing kpt #: 48 total cpu time spent up to now is 9.3 secs Computing kpt #: 49 total cpu time spent up to now is 9.4 secs Computing kpt #: 50 total cpu time spent up to now is 9.5 secs Computing kpt #: 51 total cpu time spent up to now is 9.6 secs Computing kpt #: 52 total cpu time spent up to now is 9.7 secs Computing kpt #: 53 total cpu time spent up to now is 9.8 secs Computing kpt #: 54 total cpu time spent up to now is 9.9 secs Computing kpt #: 55 total cpu time spent up to now is 10.0 secs Computing kpt #: 56 total cpu time spent up to now is 10.1 secs Computing kpt #: 57 total cpu time spent up to now is 10.2 secs Computing kpt #: 58 total cpu time spent up to now is 10.3 secs Computing kpt #: 59 total cpu time spent up to now is 10.4 secs Computing kpt #: 60 total cpu time spent up to now is 10.5 secs Computing kpt #: 61 total cpu time spent up to now is 10.6 secs Computing kpt #: 62 total cpu time spent up to now is 10.7 secs Computing kpt #: 63 total cpu time spent up to now is 10.8 secs Computing kpt #: 64 total cpu time spent up to now is 10.9 secs Computing kpt #: 65 total cpu time spent up to now is 11.0 secs Computing kpt #: 66 total cpu time spent up to now is 11.1 secs Computing kpt #: 67 total cpu time spent up to now is 11.2 secs Computing kpt #: 68 total cpu time spent up to now is 11.3 secs Computing kpt #: 69 total cpu time spent up to now is 11.4 secs Computing kpt #: 70 total cpu time spent up to now is 11.5 secs Computing kpt #: 71 total cpu time spent up to now is 11.6 secs Computing kpt #: 72 total cpu time spent up to now is 11.7 secs Computing kpt #: 73 total cpu time spent up to now is 11.8 secs Computing kpt #: 74 total cpu time spent up to now is 11.9 secs Computing kpt #: 75 total cpu time spent up to now is 12.0 secs Computing kpt #: 76 total cpu time spent up to now is 12.1 secs Computing kpt #: 77 total cpu time spent up to now is 12.2 secs Computing kpt #: 78 total cpu time spent up to now is 12.3 secs Computing kpt #: 79 total cpu time spent up to now is 12.4 secs Computing kpt #: 80 total cpu time spent up to now is 12.5 secs Computing kpt #: 81 total cpu time spent up to now is 12.6 secs Computing kpt #: 82 total cpu time spent up to now is 12.7 secs Computing kpt #: 83 total cpu time spent up to now is 12.8 secs Computing kpt #: 84 total cpu time spent up to now is 12.9 secs Computing kpt #: 85 total cpu time spent up to now is 13.0 secs Computing kpt #: 86 total cpu time spent up to now is 13.1 secs Computing kpt #: 87 total cpu time spent up to now is 13.2 secs Computing kpt #: 88 total cpu time spent up to now is 13.2 secs Computing kpt #: 89 total cpu time spent up to now is 13.3 secs Computing kpt #: 90 total cpu time spent up to now is 13.4 secs Computing kpt #: 91 total cpu time spent up to now is 13.5 secs Computing kpt #: 92 total cpu time spent up to now is 13.6 secs Computing kpt #: 93 total cpu time spent up to now is 13.7 secs Computing kpt #: 94 total cpu time spent up to now is 13.8 secs Computing kpt #: 95 total cpu time spent up to now is 13.9 secs Computing kpt #: 96 total cpu time spent up to now is 14.0 secs Computing kpt #: 97 total cpu time spent up to now is 14.1 secs Computing kpt #: 98 total cpu time spent up to now is 14.2 secs Computing kpt #: 99 total cpu time spent up to now is 14.3 secs Computing kpt #: 100 total cpu time spent up to now is 14.4 secs Computing kpt #: 101 total cpu time spent up to now is 14.5 secs Computing kpt #: 102 total cpu time spent up to now is 14.6 secs Computing kpt #: 103 total cpu time spent up to now is 14.7 secs Computing kpt #: 104 total cpu time spent up to now is 14.8 secs Computing kpt #: 105 total cpu time spent up to now is 14.9 secs Computing kpt #: 106 total cpu time spent up to now is 15.0 secs Computing kpt #: 107 total cpu time spent up to now is 15.1 secs Computing kpt #: 108 total cpu time spent up to now is 15.2 secs Computing kpt #: 109 total cpu time spent up to now is 15.3 secs Computing kpt #: 110 total cpu time spent up to now is 15.4 secs Computing kpt #: 111 total cpu time spent up to now is 15.5 secs Computing kpt #: 112 total cpu time spent up to now is 15.6 secs Computing kpt #: 113 total cpu time spent up to now is 15.7 secs Computing kpt #: 114 total cpu time spent up to now is 15.9 secs Computing kpt #: 115 total cpu time spent up to now is 16.0 secs Computing kpt #: 116 total cpu time spent up to now is 16.1 secs Computing kpt #: 117 total cpu time spent up to now is 16.2 secs Computing kpt #: 118 total cpu time spent up to now is 16.4 secs Computing kpt #: 119 total cpu time spent up to now is 16.5 secs Computing kpt #: 120 total cpu time spent up to now is 16.7 secs Computing kpt #: 121 total cpu time spent up to now is 16.9 secs Computing kpt #: 122 total cpu time spent up to now is 17.1 secs Computing kpt #: 123 total cpu time spent up to now is 17.2 secs Computing kpt #: 124 total cpu time spent up to now is 17.4 secs Computing kpt #: 125 total cpu time spent up to now is 17.6 secs Computing kpt #: 126 total cpu time spent up to now is 17.8 secs Computing kpt #: 127 total cpu time spent up to now is 18.0 secs Computing kpt #: 128 total cpu time spent up to now is 18.2 secs Computing kpt #: 129 total cpu time spent up to now is 18.4 secs Computing kpt #: 130 total cpu time spent up to now is 18.6 secs Computing kpt #: 131 total cpu time spent up to now is 18.7 secs Computing kpt #: 132 total cpu time spent up to now is 18.9 secs Computing kpt #: 133 total cpu time spent up to now is 19.1 secs Computing kpt #: 134 total cpu time spent up to now is 19.4 secs Computing kpt #: 135 total cpu time spent up to now is 19.5 secs Computing kpt #: 136 total cpu time spent up to now is 19.7 secs Computing kpt #: 137 total cpu time spent up to now is 20.0 secs Computing kpt #: 138 total cpu time spent up to now is 20.2 secs Computing kpt #: 139 total cpu time spent up to now is 20.4 secs Computing kpt #: 140 total cpu time spent up to now is 20.6 secs Computing kpt #: 141 total cpu time spent up to now is 20.8 secs Computing kpt #: 142 total cpu time spent up to now is 20.9 secs Computing kpt #: 143 total cpu time spent up to now is 21.1 secs Computing kpt #: 144 total cpu time spent up to now is 21.3 secs Computing kpt #: 145 total cpu time spent up to now is 21.4 secs Computing kpt #: 146 total cpu time spent up to now is 21.5 secs Computing kpt #: 147 total cpu time spent up to now is 21.7 secs Computing kpt #: 148 total cpu time spent up to now is 21.8 secs Computing kpt #: 149 total cpu time spent up to now is 22.0 secs Computing kpt #: 150 total cpu time spent up to now is 22.1 secs Computing kpt #: 151 total cpu time spent up to now is 22.3 secs Computing kpt #: 152 total cpu time spent up to now is 22.4 secs Computing kpt #: 153 total cpu time spent up to now is 22.5 secs Computing kpt #: 154 total cpu time spent up to now is 22.7 secs Computing kpt #: 155 total cpu time spent up to now is 22.8 secs Computing kpt #: 156 total cpu time spent up to now is 23.0 secs Computing kpt #: 157 total cpu time spent up to now is 23.1 secs Computing kpt #: 158 total cpu time spent up to now is 23.2 secs Computing kpt #: 159 total cpu time spent up to now is 23.3 secs Computing kpt #: 160 total cpu time spent up to now is 23.4 secs Computing kpt #: 161 total cpu time spent up to now is 23.6 secs Computing kpt #: 162 total cpu time spent up to now is 23.7 secs Computing kpt #: 163 total cpu time spent up to now is 23.8 secs Computing kpt #: 164 total cpu time spent up to now is 24.0 secs Computing kpt #: 165 total cpu time spent up to now is 24.1 secs Computing kpt #: 166 total cpu time spent up to now is 24.3 secs Computing kpt #: 167 total cpu time spent up to now is 24.4 secs Computing kpt #: 168 total cpu time spent up to now is 24.5 secs Computing kpt #: 169 total cpu time spent up to now is 24.7 secs Computing kpt #: 170 total cpu time spent up to now is 24.8 secs Computing kpt #: 171 total cpu time spent up to now is 24.9 secs Computing kpt #: 172 total cpu time spent up to now is 25.1 secs Computing kpt #: 173 total cpu time spent up to now is 25.2 secs Computing kpt #: 174 total cpu time spent up to now is 25.3 secs Computing kpt #: 175 total cpu time spent up to now is 25.4 secs Computing kpt #: 176 total cpu time spent up to now is 25.6 secs Computing kpt #: 177 total cpu time spent up to now is 25.7 secs Computing kpt #: 178 total cpu time spent up to now is 25.9 secs Computing kpt #: 179 total cpu time spent up to now is 26.0 secs Computing kpt #: 180 total cpu time spent up to now is 26.2 secs Computing kpt #: 181 total cpu time spent up to now is 26.3 secs Computing kpt #: 182 total cpu time spent up to now is 26.5 secs Computing kpt #: 183 total cpu time spent up to now is 26.6 secs Computing kpt #: 184 total cpu time spent up to now is 26.8 secs Computing kpt #: 185 total cpu time spent up to now is 26.9 secs Computing kpt #: 186 total cpu time spent up to now is 27.1 secs Computing kpt #: 187 total cpu time spent up to now is 27.3 secs Computing kpt #: 188 total cpu time spent up to now is 27.4 secs Computing kpt #: 189 total cpu time spent up to now is 27.6 secs Computing kpt #: 190 total cpu time spent up to now is 27.8 secs Computing kpt #: 191 total cpu time spent up to now is 27.9 secs Computing kpt #: 192 total cpu time spent up to now is 28.1 secs Computing kpt #: 193 total cpu time spent up to now is 28.3 secs Computing kpt #: 194 total cpu time spent up to now is 28.5 secs Computing kpt #: 195 total cpu time spent up to now is 28.6 secs Computing kpt #: 196 total cpu time spent up to now is 28.7 secs Computing kpt #: 197 total cpu time spent up to now is 28.9 secs Computing kpt #: 198 total cpu time spent up to now is 29.0 secs Computing kpt #: 199 total cpu time spent up to now is 29.1 secs Computing kpt #: 200 total cpu time spent up to now is 29.2 secs Computing kpt #: 201 total cpu time spent up to now is 29.3 secs Computing kpt #: 202 total cpu time spent up to now is 29.4 secs Computing kpt #: 203 total cpu time spent up to now is 29.6 secs Computing kpt #: 204 total cpu time spent up to now is 29.7 secs Computing kpt #: 205 total cpu time spent up to now is 29.8 secs Computing kpt #: 206 total cpu time spent up to now is 30.0 secs Computing kpt #: 207 total cpu time spent up to now is 30.1 secs Computing kpt #: 208 total cpu time spent up to now is 30.2 secs Computing kpt #: 209 total cpu time spent up to now is 30.4 secs Computing kpt #: 210 total cpu time spent up to now is 30.5 secs Computing kpt #: 211 total cpu time spent up to now is 30.6 secs Computing kpt #: 212 total cpu time spent up to now is 30.7 secs Computing kpt #: 213 total cpu time spent up to now is 30.9 secs Computing kpt #: 214 total cpu time spent up to now is 31.0 secs Computing kpt #: 215 total cpu time spent up to now is 31.1 secs Computing kpt #: 216 total cpu time spent up to now is 31.2 secs Computing kpt #: 217 total cpu time spent up to now is 31.4 secs Computing kpt #: 218 total cpu time spent up to now is 31.5 secs Computing kpt #: 219 total cpu time spent up to now is 31.6 secs Computing kpt #: 220 total cpu time spent up to now is 31.8 secs Computing kpt #: 221 total cpu time spent up to now is 31.9 secs Computing kpt #: 222 total cpu time spent up to now is 32.0 secs Computing kpt #: 223 total cpu time spent up to now is 32.2 secs Computing kpt #: 224 total cpu time spent up to now is 32.3 secs Computing kpt #: 225 total cpu time spent up to now is 32.5 secs Computing kpt #: 226 total cpu time spent up to now is 32.6 secs Computing kpt #: 227 total cpu time spent up to now is 32.8 secs Computing kpt #: 228 total cpu time spent up to now is 32.9 secs Computing kpt #: 229 total cpu time spent up to now is 33.1 secs Computing kpt #: 230 total cpu time spent up to now is 33.2 secs Computing kpt #: 231 total cpu time spent up to now is 33.4 secs Computing kpt #: 232 total cpu time spent up to now is 33.5 secs Computing kpt #: 233 total cpu time spent up to now is 33.7 secs Computing kpt #: 234 total cpu time spent up to now is 33.8 secs Computing kpt #: 235 total cpu time spent up to now is 34.0 secs Computing kpt #: 236 total cpu time spent up to now is 34.1 secs Computing kpt #: 237 total cpu time spent up to now is 34.2 secs Computing kpt #: 238 total cpu time spent up to now is 34.4 secs Computing kpt #: 239 total cpu time spent up to now is 34.5 secs Computing kpt #: 240 total cpu time spent up to now is 34.6 secs Computing kpt #: 241 total cpu time spent up to now is 34.7 secs Computing kpt #: 242 total cpu time spent up to now is 34.9 secs Computing kpt #: 243 total cpu time spent up to now is 35.0 secs Computing kpt #: 244 total cpu time spent up to now is 35.1 secs Computing kpt #: 245 total cpu time spent up to now is 35.2 secs Computing kpt #: 246 total cpu time spent up to now is 35.3 secs Computing kpt #: 247 total cpu time spent up to now is 35.4 secs Computing kpt #: 248 total cpu time spent up to now is 35.5 secs Computing kpt #: 249 total cpu time spent up to now is 35.7 secs Computing kpt #: 250 total cpu time spent up to now is 35.8 secs Computing kpt #: 251 total cpu time spent up to now is 36.2 secs Computing kpt #: 252 total cpu time spent up to now is 36.4 secs Computing kpt #: 253 total cpu time spent up to now is 36.5 secs Computing kpt #: 254 total cpu time spent up to now is 36.6 secs Computing kpt #: 255 total cpu time spent up to now is 36.7 secs Computing kpt #: 256 total cpu time spent up to now is 36.8 secs Computing kpt #: 257 total cpu time spent up to now is 36.9 secs Computing kpt #: 258 total cpu time spent up to now is 37.1 secs Computing kpt #: 259 total cpu time spent up to now is 37.2 secs Computing kpt #: 260 total cpu time spent up to now is 37.3 secs Computing kpt #: 261 total cpu time spent up to now is 37.4 secs Computing kpt #: 262 total cpu time spent up to now is 37.6 secs Computing kpt #: 263 total cpu time spent up to now is 37.7 secs Computing kpt #: 264 total cpu time spent up to now is 37.9 secs Computing kpt #: 265 total cpu time spent up to now is 38.1 secs Computing kpt #: 266 total cpu time spent up to now is 38.2 secs Computing kpt #: 267 total cpu time spent up to now is 38.3 secs Computing kpt #: 268 total cpu time spent up to now is 38.5 secs Computing kpt #: 269 total cpu time spent up to now is 38.6 secs Computing kpt #: 270 total cpu time spent up to now is 38.7 secs Computing kpt #: 271 total cpu time spent up to now is 38.9 secs Computing kpt #: 272 total cpu time spent up to now is 39.0 secs Computing kpt #: 273 total cpu time spent up to now is 39.1 secs Computing kpt #: 274 total cpu time spent up to now is 39.3 secs Computing kpt #: 275 total cpu time spent up to now is 39.4 secs Computing kpt #: 276 total cpu time spent up to now is 39.6 secs Computing kpt #: 277 total cpu time spent up to now is 39.7 secs Computing kpt #: 278 total cpu time spent up to now is 39.9 secs Computing kpt #: 279 total cpu time spent up to now is 40.0 secs Computing kpt #: 280 total cpu time spent up to now is 40.2 secs Computing kpt #: 281 total cpu time spent up to now is 40.3 secs Computing kpt #: 282 total cpu time spent up to now is 40.5 secs Computing kpt #: 283 total cpu time spent up to now is 40.6 secs Computing kpt #: 284 total cpu time spent up to now is 40.7 secs Computing kpt #: 285 total cpu time spent up to now is 40.9 secs Computing kpt #: 286 total cpu time spent up to now is 41.0 secs Computing kpt #: 287 total cpu time spent up to now is 41.1 secs Computing kpt #: 288 total cpu time spent up to now is 41.3 secs Computing kpt #: 289 total cpu time spent up to now is 41.4 secs Computing kpt #: 290 total cpu time spent up to now is 41.5 secs Computing kpt #: 291 total cpu time spent up to now is 41.7 secs Computing kpt #: 292 total cpu time spent up to now is 41.8 secs Computing kpt #: 293 total cpu time spent up to now is 41.9 secs Computing kpt #: 294 total cpu time spent up to now is 42.1 secs Computing kpt #: 295 total cpu time spent up to now is 42.2 secs Computing kpt #: 296 total cpu time spent up to now is 42.3 secs Computing kpt #: 297 total cpu time spent up to now is 42.5 secs Computing kpt #: 298 total cpu time spent up to now is 42.6 secs Computing kpt #: 299 total cpu time spent up to now is 42.7 secs Computing kpt #: 300 total cpu time spent up to now is 42.8 secs Computing kpt #: 301 total cpu time spent up to now is 43.0 secs Computing kpt #: 302 total cpu time spent up to now is 43.1 secs Computing kpt #: 303 total cpu time spent up to now is 43.2 secs Computing kpt #: 304 total cpu time spent up to now is 43.3 secs Computing kpt #: 305 total cpu time spent up to now is 43.5 secs Computing kpt #: 306 total cpu time spent up to now is 43.6 secs Computing kpt #: 307 total cpu time spent up to now is 43.7 secs Computing kpt #: 308 total cpu time spent up to now is 43.8 secs Computing kpt #: 309 total cpu time spent up to now is 44.0 secs Computing kpt #: 310 total cpu time spent up to now is 44.1 secs Computing kpt #: 311 total cpu time spent up to now is 44.2 secs Computing kpt #: 312 total cpu time spent up to now is 44.3 secs Computing kpt #: 313 total cpu time spent up to now is 44.5 secs Computing kpt #: 314 total cpu time spent up to now is 44.6 secs Computing kpt #: 315 total cpu time spent up to now is 44.7 secs Computing kpt #: 316 total cpu time spent up to now is 44.9 secs Computing kpt #: 317 total cpu time spent up to now is 45.0 secs Computing kpt #: 318 total cpu time spent up to now is 45.1 secs Computing kpt #: 319 total cpu time spent up to now is 45.3 secs Computing kpt #: 320 total cpu time spent up to now is 45.4 secs Computing kpt #: 321 total cpu time spent up to now is 45.6 secs Computing kpt #: 322 total cpu time spent up to now is 45.7 secs Computing kpt #: 323 total cpu time spent up to now is 45.9 secs Computing kpt #: 324 total cpu time spent up to now is 46.0 secs Computing kpt #: 325 total cpu time spent up to now is 46.2 secs Computing kpt #: 326 total cpu time spent up to now is 46.4 secs Computing kpt #: 327 total cpu time spent up to now is 46.6 secs Computing kpt #: 328 total cpu time spent up to now is 46.7 secs Computing kpt #: 329 total cpu time spent up to now is 46.8 secs Computing kpt #: 330 total cpu time spent up to now is 47.0 secs Computing kpt #: 331 total cpu time spent up to now is 47.1 secs Computing kpt #: 332 total cpu time spent up to now is 47.2 secs Computing kpt #: 333 total cpu time spent up to now is 47.4 secs Computing kpt #: 334 total cpu time spent up to now is 47.5 secs Computing kpt #: 335 total cpu time spent up to now is 47.6 secs Computing kpt #: 336 total cpu time spent up to now is 47.7 secs Computing kpt #: 337 total cpu time spent up to now is 47.9 secs Computing kpt #: 338 total cpu time spent up to now is 48.0 secs Computing kpt #: 339 total cpu time spent up to now is 48.1 secs Computing kpt #: 340 total cpu time spent up to now is 48.2 secs Computing kpt #: 341 total cpu time spent up to now is 48.3 secs Computing kpt #: 342 total cpu time spent up to now is 48.4 secs Computing kpt #: 343 total cpu time spent up to now is 48.5 secs Computing kpt #: 344 total cpu time spent up to now is 48.6 secs Computing kpt #: 345 total cpu time spent up to now is 48.7 secs Computing kpt #: 346 total cpu time spent up to now is 48.8 secs Computing kpt #: 347 total cpu time spent up to now is 48.9 secs Computing kpt #: 348 total cpu time spent up to now is 49.0 secs Computing kpt #: 349 total cpu time spent up to now is 49.1 secs Computing kpt #: 350 total cpu time spent up to now is 49.2 secs Computing kpt #: 351 total cpu time spent up to now is 49.3 secs Computing kpt #: 352 total cpu time spent up to now is 49.4 secs Computing kpt #: 353 total cpu time spent up to now is 49.5 secs Computing kpt #: 354 total cpu time spent up to now is 49.7 secs Computing kpt #: 355 total cpu time spent up to now is 49.8 secs Computing kpt #: 356 total cpu time spent up to now is 49.9 secs Computing kpt #: 357 total cpu time spent up to now is 50.0 secs Computing kpt #: 358 total cpu time spent up to now is 50.2 secs Computing kpt #: 359 total cpu time spent up to now is 50.3 secs Computing kpt #: 360 total cpu time spent up to now is 50.4 secs Computing kpt #: 361 total cpu time spent up to now is 50.5 secs Computing kpt #: 362 total cpu time spent up to now is 50.7 secs Computing kpt #: 363 total cpu time spent up to now is 50.8 secs Computing kpt #: 364 total cpu time spent up to now is 50.9 secs Computing kpt #: 365 total cpu time spent up to now is 51.1 secs Computing kpt #: 366 total cpu time spent up to now is 51.2 secs Computing kpt #: 367 total cpu time spent up to now is 51.3 secs Computing kpt #: 368 total cpu time spent up to now is 51.4 secs Computing kpt #: 369 total cpu time spent up to now is 51.6 secs Computing kpt #: 370 total cpu time spent up to now is 51.7 secs Computing kpt #: 371 total cpu time spent up to now is 51.8 secs Computing kpt #: 372 total cpu time spent up to now is 52.0 secs Computing kpt #: 373 total cpu time spent up to now is 52.1 secs Computing kpt #: 374 total cpu time spent up to now is 52.2 secs Computing kpt #: 375 total cpu time spent up to now is 52.4 secs Computing kpt #: 376 total cpu time spent up to now is 52.5 secs Computing kpt #: 377 total cpu time spent up to now is 52.7 secs Computing kpt #: 378 total cpu time spent up to now is 52.8 secs Computing kpt #: 379 total cpu time spent up to now is 53.0 secs Computing kpt #: 380 total cpu time spent up to now is 53.1 secs Computing kpt #: 381 total cpu time spent up to now is 53.2 secs Computing kpt #: 382 total cpu time spent up to now is 53.4 secs Computing kpt #: 383 total cpu time spent up to now is 53.5 secs Computing kpt #: 384 total cpu time spent up to now is 53.7 secs Computing kpt #: 385 total cpu time spent up to now is 53.8 secs Computing kpt #: 386 total cpu time spent up to now is 54.0 secs Computing kpt #: 387 total cpu time spent up to now is 54.1 secs Computing kpt #: 388 total cpu time spent up to now is 54.2 secs Computing kpt #: 389 total cpu time spent up to now is 54.4 secs Computing kpt #: 390 total cpu time spent up to now is 54.5 secs Computing kpt #: 391 total cpu time spent up to now is 54.6 secs Computing kpt #: 392 total cpu time spent up to now is 54.8 secs Computing kpt #: 393 total cpu time spent up to now is 54.9 secs Computing kpt #: 394 total cpu time spent up to now is 55.0 secs Computing kpt #: 395 total cpu time spent up to now is 55.1 secs Computing kpt #: 396 total cpu time spent up to now is 55.2 secs Computing kpt #: 397 total cpu time spent up to now is 55.4 secs Computing kpt #: 398 total cpu time spent up to now is 55.5 secs Computing kpt #: 399 total cpu time spent up to now is 55.6 secs Computing kpt #: 400 total cpu time spent up to now is 55.7 secs Computing kpt #: 401 total cpu time spent up to now is 55.9 secs Computing kpt #: 402 total cpu time spent up to now is 56.0 secs Computing kpt #: 403 total cpu time spent up to now is 56.1 secs ethr = 5.00E-08, avg # of iterations = 18.5 total cpu time spent up to now is 56.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1429 PWs) bands (ev): -22.9725 -22.9725 -22.1955 -22.1955 -6.1863 -6.1863 -5.3988 -5.3988 -4.5176 -4.5176 -3.6606 -3.6606 -3.3182 -3.3182 -3.2704 -3.2704 9.3673 9.3673 10.6749 10.6749 13.8249 13.8249 13.8926 13.8926 14.9021 14.9021 18.2112 18.2112 k = 0.0000 0.0000 0.0134 ( 1423 PWs) bands (ev): -22.9722 -22.9722 -22.1958 -22.1958 -6.1857 -6.1857 -5.3983 -5.3983 -4.5183 -4.5183 -3.6608 -3.6608 -3.3186 -3.3186 -3.2713 -3.2713 9.3700 9.3700 10.6772 10.6772 13.8266 13.8266 13.8912 13.8912 14.9005 14.9005 18.2136 18.2136 k = 0.0000 0.0000 0.0267 ( 1419 PWs) bands (ev): -22.9714 -22.9714 -22.1967 -22.1967 -6.1842 -6.1842 -5.3966 -5.3966 -4.5204 -4.5204 -3.6614 -3.6614 -3.3195 -3.3195 -3.2739 -3.2739 9.3784 9.3784 10.6843 10.6843 13.8317 13.8317 13.8871 13.8871 14.8957 14.8957 18.2200 18.2200 k = 0.0000 0.0000 0.0401 ( 1417 PWs) bands (ev): -22.9699 -22.9699 -22.1983 -22.1983 -6.1817 -6.1817 -5.3939 -5.3939 -4.5239 -4.5239 -3.6624 -3.6624 -3.3212 -3.3212 -3.2782 -3.2782 9.3923 9.3923 10.6961 10.6961 13.8401 13.8401 13.8803 13.8803 14.8880 14.8880 18.2294 18.2294 k = 0.0000 0.0000 0.0535 ( 1417 PWs) bands (ev): -22.9679 -22.9679 -22.2004 -22.2004 -6.1781 -6.1781 -5.3902 -5.3902 -4.5287 -4.5287 -3.6639 -3.6639 -3.3237 -3.3237 -3.2841 -3.2841 9.4117 9.4117 10.7126 10.7126 13.8519 13.8519 13.8709 13.8709 14.8772 14.8772 18.2412 18.2412 k = 0.0000 0.0000 0.0669 ( 1417 PWs) bands (ev): -22.9653 -22.9653 -22.2032 -22.2032 -6.1735 -6.1735 -5.3853 -5.3853 -4.5350 -4.5350 -3.6658 -3.6658 -3.3271 -3.3271 -3.2913 -3.2913 9.4365 9.4365 10.7337 10.7337 13.8590 13.8590 13.8672 13.8672 14.8637 14.8637 18.2558 18.2558 k = 0.0000 0.0000 0.0802 ( 1421 PWs) bands (ev): -22.9621 -22.9621 -22.2065 -22.2065 -6.1679 -6.1679 -5.3793 -5.3793 -4.5426 -4.5426 -3.6682 -3.6682 -3.3317 -3.3317 -3.2993 -3.2993 9.4667 9.4667 10.7594 10.7594 13.8448 13.8448 13.8857 13.8857 14.8477 14.8477 18.2731 18.2731 k = 0.0000 0.0000 0.0936 ( 1421 PWs) bands (ev): -22.9583 -22.9583 -22.2105 -22.2105 -6.1613 -6.1613 -5.3723 -5.3723 -4.5515 -4.5515 -3.6712 -3.6712 -3.3380 -3.3380 -3.3077 -3.3077 9.5021 9.5021 10.7896 10.7896 13.8285 13.8285 13.9077 13.9077 14.8293 14.8293 18.2933 18.2933 k = 0.0000 0.0000 0.1070 ( 1417 PWs) bands (ev): -22.9540 -22.9540 -22.2150 -22.2150 -6.1537 -6.1537 -5.3642 -5.3642 -4.5619 -4.5619 -3.6749 -3.6749 -3.3466 -3.3466 -3.3156 -3.3156 9.5427 9.5427 10.8242 10.8242 13.8102 13.8102 13.9329 13.9329 14.8088 14.8088 18.3163 18.3163 k = 0.0000 0.0000 0.1204 ( 1417 PWs) bands (ev): -22.9492 -22.9492 -22.2201 -22.2201 -6.1451 -6.1451 -5.3551 -5.3551 -4.5736 -4.5735 -3.6793 -3.6793 -3.3576 -3.3576 -3.3228 -3.3227 9.5882 9.5882 10.8632 10.8632 13.7903 13.7903 13.9616 13.9616 14.7866 14.7866 18.3421 18.3421 k = 0.0000 0.0000 0.1337 ( 1413 PWs) bands (ev): -22.9437 -22.9437 -22.2258 -22.2258 -6.1354 -6.1354 -5.3449 -5.3449 -4.5866 -4.5866 -3.6846 -3.6846 -3.3707 -3.3707 -3.3291 -3.3291 9.6386 9.6386 10.9063 10.9063 13.7689 13.7689 13.9935 13.9935 14.7629 14.7629 18.3705 18.3705 k = 0.0000 0.0000 0.1471 ( 1417 PWs) bands (ev): -22.9378 -22.9378 -22.2321 -22.2321 -6.1248 -6.1248 -5.3336 -5.3336 -4.6009 -4.6009 -3.6910 -3.6910 -3.3853 -3.3853 -3.3351 -3.3351 9.6937 9.6937 10.9535 10.9535 13.7462 13.7462 14.0287 14.0287 14.7380 14.7380 18.4014 18.4014 k = 0.0000 0.0000 0.1605 ( 1413 PWs) bands (ev): -22.9313 -22.9313 -22.2389 -22.2389 -6.1132 -6.1132 -5.3213 -5.3213 -4.6165 -4.6165 -3.6986 -3.6986 -3.4009 -3.4009 -3.3408 -3.3408 9.7533 9.7533 11.0047 11.0047 13.7227 13.7227 14.0673 14.0673 14.7121 14.7121 18.4346 18.4346 k = 0.0000 0.0000 0.1739 ( 1411 PWs) bands (ev): -22.9243 -22.9243 -22.2462 -22.2462 -6.1006 -6.1006 -5.3079 -5.3079 -4.6334 -4.6334 -3.7077 -3.7077 -3.4170 -3.4170 -3.3466 -3.3466 9.8172 9.8172 11.0595 11.0595 13.6984 13.6984 14.1091 14.1091 14.6857 14.6857 18.4698 18.4698 k = 0.0000 0.0000 0.1872 ( 1411 PWs) bands (ev): -22.9167 -22.9167 -22.2541 -22.2541 -6.0870 -6.0870 -5.2935 -5.2935 -4.6515 -4.6514 -3.7185 -3.7185 -3.4330 -3.4330 -3.3524 -3.3524 9.8852 9.8852 11.1179 11.1179 13.6737 13.6737 14.1542 14.1542 14.6588 14.6588 18.5066 18.5066 k = 0.0000 0.0000 0.2006 ( 1411 PWs) bands (ev): -22.9087 -22.9087 -22.2625 -22.2625 -6.0725 -6.0725 -5.2781 -5.2781 -4.6707 -4.6707 -3.7314 -3.7314 -3.4486 -3.4486 -3.3583 -3.3583 9.9570 9.9570 11.1795 11.1795 13.6489 13.6489 14.2025 14.2025 14.6319 14.6319 18.5443 18.5443 k = 0.0000 0.0000 0.2140 ( 1415 PWs) bands (ev): -22.9002 -22.9002 -22.2714 -22.2714 -6.0570 -6.0570 -5.2617 -5.2617 -4.6911 -4.6911 -3.7464 -3.7464 -3.4633 -3.4633 -3.3644 -3.3644 10.0325 10.0325 11.2441 11.2441 13.6243 13.6243 14.2540 14.2540 14.6051 14.6051 18.5821 18.5821 k = 0.0000 0.0000 0.2274 ( 1415 PWs) bands (ev): -22.8912 -22.8912 -22.2808 -22.2808 -6.0405 -6.0405 -5.2444 -5.2444 -4.7126 -4.7126 -3.7639 -3.7639 -3.4769 -3.4768 -3.3705 -3.3705 10.1112 10.1112 11.3113 11.3113 13.6002 13.6002 14.3087 14.3087 14.5787 14.5787 18.6183 18.6183 k = 0.0000 0.0000 0.2407 ( 1415 PWs) bands (ev): -22.8817 -22.8817 -22.2907 -22.2907 -6.0231 -6.0231 -5.2262 -5.2262 -4.7351 -4.7351 -3.7839 -3.7839 -3.4890 -3.4890 -3.3768 -3.3768 10.1930 10.1930 11.3808 11.3808 13.5769 13.5769 14.3665 14.3665 14.5530 14.5530 18.6505 18.6505 k = 0.0000 0.0000 0.2541 ( 1411 PWs) bands (ev): -22.8717 -22.8717 -22.3010 -22.3010 -6.0047 -6.0047 -5.2071 -5.2071 -4.7584 -4.7584 -3.8064 -3.8064 -3.4997 -3.4996 -3.3832 -3.3832 10.2776 10.2776 11.4520 11.4520 13.5548 13.5548 14.4272 14.4272 14.5281 14.5281 18.6742 18.6742 k = 0.0000 0.0000 0.2675 ( 1413 PWs) bands (ev): -22.8614 -22.8614 -22.3118 -22.3118 -5.9855 -5.9855 -5.1873 -5.1873 -4.7826 -4.7826 -3.8314 -3.8314 -3.5088 -3.5087 -3.3896 -3.3896 10.3646 10.3646 11.5245 11.5245 13.5344 13.5344 14.4874 14.4874 14.5079 14.5079 18.6821 18.6821 k = 0.0000 0.0000 0.2808 ( 1413 PWs) bands (ev): -22.8506 -22.8506 -22.3230 -22.3230 -5.9653 -5.9653 -5.1669 -5.1669 -4.8073 -4.8073 -3.8586 -3.8586 -3.5164 -3.5163 -3.3961 -3.3961 10.4536 10.4536 11.5977 11.5977 13.5160 13.5160 14.4790 14.4790 14.5603 14.5603 18.6644 18.6644 k = 0.0000 0.0000 0.2942 ( 1409 PWs) bands (ev): -22.8394 -22.8394 -22.3346 -22.3346 -5.9442 -5.9442 -5.1461 -5.1461 -4.8323 -4.8323 -3.8879 -3.8879 -3.5226 -3.5225 -3.4027 -3.4027 10.5444 10.5444 11.6708 11.6708 13.5003 13.5003 14.4574 14.4574 14.6302 14.6302 18.6135 18.6135 k = 0.0000 0.0000 0.3076 ( 1409 PWs) bands (ev): -22.8278 -22.8278 -22.3466 -22.3466 -5.9223 -5.9223 -5.1253 -5.1253 -4.8571 -4.8571 -3.9190 -3.9190 -3.5275 -3.5275 -3.4093 -3.4093 10.6366 10.6366 11.7430 11.7430 13.4878 13.4878 14.4366 14.4366 14.7034 14.7034 18.5311 18.5311 k = 0.0000 0.0000 0.3210 ( 1411 PWs) bands (ev): -22.8158 -22.8158 -22.3589 -22.3589 -5.8995 -5.8995 -5.1053 -5.1053 -4.8811 -4.8811 -3.9517 -3.9517 -3.5313 -3.5313 -3.4159 -3.4158 10.7297 10.7297 11.8133 11.8133 13.4791 13.4791 14.4171 14.4171 14.7797 14.7797 18.4260 18.4260 k = 0.0000 0.0000 0.3343 ( 1411 PWs) bands (ev): -22.8035 -22.8035 -22.3717 -22.3717 -5.8758 -5.8758 -5.0874 -5.0874 -4.9027 -4.9027 -3.9858 -3.9858 -3.5342 -3.5341 -3.4224 -3.4224 10.8234 10.8234 11.8807 11.8807 13.4750 13.4750 14.3986 14.3986 14.8590 14.8590 18.3072 18.3072 k = 0.0000 0.0000 0.3477 ( 1411 PWs) bands (ev): -22.7908 -22.7908 -22.3847 -22.3847 -5.8513 -5.8513 -5.0745 -5.0745 -4.9192 -4.9192 -4.0210 -4.0210 -3.5361 -3.5361 -3.4290 -3.4289 10.9173 10.9173 11.9439 11.9439 13.4762 13.4762 14.3813 14.3813 14.9412 14.9412 18.1807 18.1807 k = 0.0000 0.0000 0.3611 ( 1407 PWs) bands (ev): -22.7778 -22.7778 -22.3980 -22.3980 -5.8261 -5.8261 -5.0705 -5.0705 -4.9263 -4.9263 -4.0572 -4.0572 -3.5373 -3.5373 -3.4355 -3.4354 11.0108 11.0108 12.0017 12.0017 13.4835 13.4835 14.3650 14.3650 15.0263 15.0263 18.0499 18.0499 k = 0.0000 0.0000 0.3745 ( 1403 PWs) bands (ev): -22.7646 -22.7646 -22.4117 -22.4117 -5.8000 -5.8000 -5.0784 -5.0784 -4.9213 -4.9213 -4.0941 -4.0941 -3.5378 -3.5378 -3.4419 -3.4419 11.1036 11.1036 12.0529 12.0529 13.4977 13.4977 14.3495 14.3495 15.1142 15.1142 17.9169 17.9169 k = 0.0000 0.0000 0.3878 ( 1405 PWs) bands (ev): -22.7510 -22.7510 -22.4255 -22.4255 -5.7732 -5.7732 -5.0964 -5.0964 -4.9057 -4.9057 -4.1317 -4.1317 -3.5377 -3.5377 -3.4482 -3.4482 11.1952 11.1952 12.0964 12.0964 13.5191 13.5191 14.3346 14.3346 15.2049 15.2049 17.7830 17.7830 k = 0.0000 0.0000 0.4012 ( 1406 PWs) bands (ev): -22.7372 -22.7372 -22.4397 -22.4397 -5.7456 -5.7456 -5.1207 -5.1207 -4.8834 -4.8834 -4.1698 -4.1698 -3.5371 -3.5370 -3.4545 -3.4545 11.2852 11.2852 12.1312 12.1312 13.5481 13.5481 14.3197 14.3197 15.2984 15.2984 17.6490 17.6490 k = 0.0000 0.0000 0.4146 ( 1410 PWs) bands (ev): -22.7231 -22.7231 -22.4540 -22.4540 -5.7174 -5.7174 -5.1485 -5.1485 -4.8572 -4.8572 -4.2082 -4.2082 -3.5359 -3.5359 -3.4606 -3.4606 11.3730 11.3730 12.1568 12.1568 13.5843 13.5843 14.3046 14.3046 15.3946 15.3946 17.5154 17.5154 k = 0.0000 0.0000 0.4280 ( 1410 PWs) bands (ev): -22.7088 -22.7088 -22.4686 -22.4686 -5.6885 -5.6885 -5.1784 -5.1784 -4.8283 -4.8283 -4.2469 -4.2469 -3.5343 -3.5343 -3.4666 -3.4666 11.4584 11.4584 12.1730 12.1730 13.6273 13.6273 14.2887 14.2887 15.4935 15.4935 17.3827 17.3827 k = 0.0000 0.0000 0.4413 ( 1410 PWs) bands (ev): -22.6943 -22.6943 -22.4833 -22.4833 -5.6590 -5.6590 -5.2096 -5.2096 -4.7976 -4.7976 -4.2857 -4.2857 -3.5323 -3.5322 -3.4725 -3.4725 11.5407 11.5407 12.1797 12.1797 13.6760 13.6760 14.2713 14.2713 15.5949 15.5949 17.2510 17.2510 k = 0.0000 0.0000 0.4547 ( 1414 PWs) bands (ev): -22.6796 -22.6796 -22.4982 -22.4982 -5.6289 -5.6289 -5.2415 -5.2415 -4.7656 -4.7656 -4.3246 -4.3246 -3.5299 -3.5298 -3.4782 -3.4782 11.6197 11.6197 12.1774 12.1774 13.7290 13.7290 14.2517 14.2517 15.6989 15.6989 17.1207 17.1207 k = 0.0000 0.0000 0.4681 ( 1410 PWs) bands (ev): -22.6648 -22.6648 -22.5131 -22.5131 -5.5983 -5.5983 -5.2740 -5.2740 -4.7324 -4.7324 -4.3634 -4.3634 -3.5271 -3.5271 -3.4838 -3.4837 11.6950 11.6950 12.1665 12.1665 13.7850 13.7850 14.2294 14.2294 15.8054 15.8054 16.9917 16.9917 k = 0.0000 0.0000 0.4815 ( 1412 PWs) bands (ev): -22.6499 -22.6499 -22.5282 -22.5282 -5.5671 -5.5671 -5.3068 -5.3068 -4.6982 -4.6982 -4.4021 -4.4021 -3.5240 -3.5239 -3.4892 -3.4891 11.7661 11.7661 12.1476 12.1476 13.8422 13.8422 14.2035 14.2035 15.9143 15.9143 16.8644 16.8644 k = 0.0000 0.0000 0.4948 ( 1408 PWs) bands (ev): -22.6348 -22.6348 -22.5434 -22.5434 -5.5355 -5.5355 -5.3398 -5.3398 -4.6632 -4.6632 -4.4406 -4.4406 -3.5206 -3.5205 -3.4943 -3.4943 11.8327 11.8327 12.1214 12.1214 13.8991 13.8991 14.1735 14.1735 16.0256 16.0256 16.7388 16.7388 k = 0.0000 0.0000 0.5082 ( 1412 PWs) bands (ev): -22.6196 -22.6196 -22.5586 -22.5586 -5.5035 -5.5035 -5.3728 -5.3728 -4.6275 -4.6275 -4.4789 -4.4789 -3.5168 -3.5168 -3.4993 -3.4993 11.8946 11.8946 12.0882 12.0882 13.9544 13.9544 14.1390 14.1390 16.1392 16.1392 16.6149 16.6149 k = 0.0000 0.0000 0.5216 ( 1418 PWs) bands (ev): -22.6044 -22.6044 -22.5739 -22.5739 -5.4712 -5.4712 -5.4058 -5.4057 -4.5911 -4.5911 -4.5167 -4.5167 -3.5128 -3.5128 -3.5040 -3.5040 11.9514 11.9514 12.0485 12.0485 14.0069 14.0069 14.0996 14.0996 16.2550 16.2550 16.4929 16.4929 k = 0.0000 0.0000 0.5349 ( 1408 PWs) bands (ev): -22.5892 -22.5892 -22.5892 -22.5892 -5.4386 -5.4386 -5.4386 -5.4386 -4.5542 -4.5542 -4.5542 -4.5542 -3.5086 -3.5086 -3.5085 -3.5085 12.0028 12.0028 12.0028 12.0028 14.0555 14.0555 14.0555 14.0555 16.3729 16.3729 16.3729 16.3729 k = 0.0000 0.0000 0.5349 ( 1408 PWs) bands (ev): -22.5892 -22.5892 -22.5892 -22.5892 -5.4386 -5.4386 -5.4386 -5.4386 -4.5542 -4.5542 -4.5542 -4.5542 -3.5086 -3.5086 -3.5085 -3.5085 12.0028 12.0028 12.0028 12.0028 14.0555 14.0555 14.0555 14.0555 16.3729 16.3729 16.3729 16.3729 k =-0.0125 0.0048 0.5349 ( 1416 PWs) bands (ev): -22.5892 -22.5892 -22.5891 -22.5891 -5.4486 -5.4486 -5.4342 -5.4342 -4.5665 -4.5664 -4.5366 -4.5365 -3.5162 -3.5162 -3.5004 -3.5004 12.0031 12.0031 12.0043 12.0043 14.0552 14.0552 14.0572 14.0572 16.3680 16.3680 16.3680 16.3680 k =-0.0250 0.0095 0.5349 ( 1412 PWs) bands (ev): -22.5891 -22.5891 -22.5891 -22.5890 -5.4638 -5.4637 -5.4357 -5.4357 -4.5731 -4.5731 -4.5141 -4.5141 -3.5234 -3.5234 -3.4918 -3.4917 12.0052 12.0052 12.0077 12.0077 14.0565 14.0565 14.0605 14.0605 16.3535 16.3535 16.3536 16.3536 k =-0.0375 0.0143 0.5349 ( 1410 PWs) bands (ev): -22.5890 -22.5890 -22.5889 -22.5889 -5.4835 -5.4835 -5.4431 -5.4431 -4.5742 -4.5741 -4.4874 -4.4874 -3.5300 -3.5300 -3.4826 -3.4826 12.0090 12.0091 12.0128 12.0128 14.0593 14.0593 14.0652 14.0653 16.3305 16.3305 16.3306 16.3306 k =-0.0500 0.0190 0.5349 ( 1414 PWs) bands (ev): -22.5888 -22.5888 -22.5888 -22.5887 -5.5071 -5.5070 -5.4562 -5.4562 -4.5698 -4.5698 -4.4572 -4.4572 -3.5361 -3.5361 -3.4730 -3.4730 12.0147 12.0147 12.0197 12.0197 14.0636 14.0636 14.0715 14.0716 16.3000 16.3000 16.3002 16.3002 k =-0.0625 0.0238 0.5349 ( 1422 PWs) bands (ev): -22.5886 -22.5885 -22.5885 -22.5885 -5.5339 -5.5338 -5.4745 -5.4745 -4.5606 -4.5605 -4.4242 -4.4242 -3.5416 -3.5416 -3.4630 -3.4629 12.0219 12.0220 12.0282 12.0282 14.0694 14.0695 14.0794 14.0794 16.2636 16.2636 16.2639 16.2639 k =-0.0750 0.0285 0.5349 ( 1422 PWs) bands (ev): -22.5883 -22.5883 -22.5883 -22.5882 -5.5633 -5.5632 -5.4974 -5.4973 -4.5471 -4.5470 -4.3890 -4.3890 -3.5465 -3.5465 -3.4524 -3.4524 12.0308 12.0308 12.0384 12.0384 14.0769 14.0769 14.0889 14.0889 16.2228 16.2228 16.2231 16.2231 k =-0.0875 0.0333 0.5349 ( 1422 PWs) bands (ev): -22.5880 -22.5879 -22.5879 -22.5879 -5.5947 -5.5947 -5.5240 -5.5240 -4.5300 -4.5300 -4.3522 -4.3522 -3.5507 -3.5507 -3.4414 -3.4413 12.0412 12.0412 12.0500 12.0500 14.0859 14.0860 14.1000 14.1000 16.1787 16.1787 16.1791 16.1791 k =-0.1000 0.0380 0.5349 ( 1422 PWs) bands (ev): -22.5876 -22.5876 -22.5876 -22.5875 -5.6278 -5.6278 -5.5539 -5.5539 -4.5101 -4.5101 -4.3144 -4.3144 -3.5541 -3.5541 -3.4299 -3.4298 12.0530 12.0530 12.0630 12.0630 14.0967 14.0967 14.1127 14.1127 16.1326 16.1326 16.1330 16.1330 k =-0.1125 0.0428 0.5349 ( 1418 PWs) bands (ev): -22.5872 -22.5872 -22.5872 -22.5871 -5.6621 -5.6620 -5.5862 -5.5862 -4.4880 -4.4880 -4.2761 -4.2761 -3.5567 -3.5567 -3.4179 -3.4179 12.0661 12.0661 12.0773 12.0773 14.1091 14.1091 14.1272 14.1272 16.0854 16.0854 16.0857 16.0857 k =-0.1250 0.0475 0.5349 ( 1418 PWs) bands (ev): -22.5868 -22.5867 -22.5867 -22.5867 -5.6972 -5.6971 -5.6205 -5.6205 -4.4643 -4.4643 -4.2377 -4.2377 -3.5584 -3.5583 -3.4055 -3.4055 12.0803 12.0803 12.0926 12.0927 14.1232 14.1233 14.1434 14.1434 16.0379 16.0379 16.0382 16.0382 k =-0.1375 0.0523 0.5349 ( 1418 PWs) bands (ev): -22.5863 -22.5862 -22.5862 -22.5862 -5.7328 -5.7327 -5.6561 -5.6561 -4.4395 -4.4395 -4.1998 -4.1998 -3.5589 -3.5589 -3.3926 -3.3926 12.0954 12.0954 12.1090 12.1090 14.1393 14.1393 14.1615 14.1615 15.9908 15.9908 15.9909 15.9909 k =-0.1500 0.0571 0.5349 ( 1418 PWs) bands (ev): -22.5858 -22.5857 -22.5857 -22.5857 -5.7686 -5.7686 -5.6927 -5.6927 -4.4140 -4.4140 -4.1627 -4.1627 -3.5582 -3.5582 -3.3794 -3.3793 12.1113 12.1114 12.1260 12.1260 14.1572 14.1572 14.1815 14.1815 15.9444 15.9444 15.9445 15.9445 k =-0.1625 0.0618 0.5349 ( 1416 PWs) bands (ev): -22.5852 -22.5852 -22.5852 -22.5851 -5.8045 -5.8045 -5.7299 -5.7299 -4.3883 -4.3883 -4.1269 -4.1269 -3.5561 -3.5561 -3.3657 -3.3657 12.1279 12.1279 12.1437 12.1437 14.1771 14.1771 14.2034 14.2034 15.8991 15.8991 15.8996 15.8996 k =-0.1750 0.0666 0.5349 ( 1416 PWs) bands (ev): -22.5847 -22.5846 -22.5846 -22.5846 -5.8403 -5.8403 -5.7673 -5.7673 -4.3625 -4.3625 -4.0927 -4.0927 -3.5524 -3.5524 -3.3517 -3.3517 12.1450 12.1450 12.1617 12.1617 14.1990 14.1990 14.2274 14.2274 15.8554 15.8554 15.8562 15.8562 k =-0.1875 0.0713 0.5349 ( 1416 PWs) bands (ev): -22.5841 -22.5840 -22.5840 -22.5840 -5.8757 -5.8756 -5.8047 -5.8047 -4.3370 -4.3370 -4.0606 -4.0606 -3.5468 -3.5468 -3.3374 -3.3374 12.1622 12.1623 12.1799 12.1799 14.2231 14.2231 14.2535 14.2535 15.8135 15.8135 15.8148 15.8148 k =-0.2000 0.0761 0.5349 ( 1420 PWs) bands (ev): -22.5834 -22.5834 -22.5834 -22.5833 -5.9105 -5.9105 -5.8419 -5.8419 -4.3119 -4.3119 -4.0310 -4.0310 -3.5392 -3.5392 -3.3229 -3.3228 12.1796 12.1796 12.1981 12.1981 14.2494 14.2495 14.2817 14.2818 15.7736 15.7736 15.7754 15.7755 k =-0.2125 0.0808 0.5349 ( 1414 PWs) bands (ev): -22.5828 -22.5828 -22.5827 -22.5827 -5.9448 -5.9448 -5.8786 -5.8786 -4.2874 -4.2874 -4.0041 -4.0041 -3.5295 -3.5294 -3.3081 -3.3081 12.1968 12.1969 12.2161 12.2161 14.2781 14.2781 14.3123 14.3123 15.7357 15.7357 15.7383 15.7383 k =-0.2250 0.0856 0.5349 ( 1416 PWs) bands (ev): -22.5822 -22.5821 -22.5821 -22.5821 -5.9782 -5.9782 -5.9147 -5.9147 -4.2636 -4.2636 -3.9802 -3.9802 -3.5174 -3.5173 -3.2932 -3.2932 12.2138 12.2138 12.2337 12.2337 14.3090 14.3090 14.3450 14.3451 15.7001 15.7001 15.7035 15.7035 k =-0.2375 0.0903 0.5349 ( 1408 PWs) bands (ev): -22.5815 -22.5815 -22.5814 -22.5814 -6.0108 -6.0108 -5.9500 -5.9500 -4.2407 -4.2406 -3.9595 -3.9595 -3.5030 -3.5029 -3.2783 -3.2783 12.2303 12.2304 12.2508 12.2508 14.3424 14.3424 14.3802 14.3802 15.6667 15.6667 15.6711 15.6711 k =-0.2500 0.0951 0.5349 ( 1404 PWs) bands (ev): -22.5808 -22.5808 -22.5808 -22.5807 -6.0424 -6.0424 -5.9844 -5.9844 -4.2185 -4.2185 -3.9420 -3.9420 -3.4864 -3.4863 -3.2635 -3.2635 12.2463 12.2463 12.2670 12.2670 14.3782 14.3782 14.4176 14.4176 15.6356 15.6356 15.6410 15.6410 k =-0.2625 0.0998 0.5349 ( 1408 PWs) bands (ev): -22.5802 -22.5801 -22.5801 -22.5801 -6.0729 -6.0729 -6.0178 -6.0178 -4.1973 -4.1973 -3.9275 -3.9275 -3.4677 -3.4677 -3.2488 -3.2488 12.2615 12.2615 12.2824 12.2824 14.4163 14.4164 14.4573 14.4573 15.6067 15.6067 15.6132 15.6132 k =-0.2750 0.1046 0.5349 ( 1404 PWs) bands (ev): -22.5795 -22.5795 -22.5795 -22.5794 -6.1023 -6.1022 -6.0501 -6.0500 -4.1770 -4.1770 -3.9159 -3.9159 -3.4474 -3.4474 -3.2343 -3.2343 12.2758 12.2758 12.2968 12.2969 14.4569 14.4569 14.4993 14.4993 15.5799 15.5799 15.5878 15.5878 k =-0.2875 0.1094 0.5349 ( 1406 PWs) bands (ev): -22.5789 -22.5788 -22.5788 -22.5788 -6.1303 -6.1303 -6.0811 -6.0811 -4.1576 -4.1576 -3.9069 -3.9069 -3.4258 -3.4257 -3.2202 -3.2201 12.2893 12.2893 12.3102 12.3102 14.4996 14.4997 14.5434 14.5434 15.5552 15.5552 15.5646 15.5646 k =-0.3000 0.1141 0.5349 ( 1406 PWs) bands (ev): -22.5782 -22.5782 -22.5782 -22.5781 -6.1571 -6.1571 -6.1108 -6.1108 -4.1392 -4.1392 -3.9003 -3.9002 -3.4031 -3.4031 -3.2065 -3.2064 12.3017 12.3017 12.3223 12.3223 14.5445 14.5445 14.5895 14.5895 15.5325 15.5325 15.5434 15.5434 k =-0.3125 0.1189 0.5349 ( 1410 PWs) bands (ev): -22.5776 -22.5776 -22.5776 -22.5775 -6.1825 -6.1824 -6.1391 -6.1391 -4.1216 -4.1216 -3.8956 -3.8956 -3.3800 -3.3799 -3.1933 -3.1933 12.3131 12.3131 12.3333 12.3333 14.5913 14.5913 14.6374 14.6374 15.5116 15.5116 15.5243 15.5243 k =-0.3250 0.1236 0.5349 ( 1406 PWs) bands (ev): -22.5770 -22.5770 -22.5770 -22.5769 -6.2064 -6.2064 -6.1660 -6.1660 -4.1050 -4.1050 -3.8927 -3.8927 -3.3566 -3.3565 -3.1808 -3.1808 12.3235 12.3235 12.3431 12.3431 14.6398 14.6398 14.6868 14.6868 15.4924 15.4924 15.5069 15.5069 k =-0.3375 0.1284 0.5349 ( 1406 PWs) bands (ev): -22.5764 -22.5764 -22.5764 -22.5763 -6.2288 -6.2288 -6.1913 -6.1913 -4.0892 -4.0892 -3.8912 -3.8912 -3.3333 -3.3333 -3.1691 -3.1691 12.3329 12.3329 12.3517 12.3517 14.6896 14.6896 14.7375 14.7375 15.4747 15.4747 15.4912 15.4912 k =-0.3500 0.1331 0.5349 ( 1410 PWs) bands (ev): -22.5759 -22.5759 -22.5758 -22.5758 -6.2496 -6.2496 -6.2151 -6.2151 -4.0742 -4.0742 -3.8910 -3.8910 -3.3104 -3.3104 -3.1582 -3.1582 12.3412 12.3412 12.3591 12.3591 14.7403 14.7403 14.7891 14.7891 15.4583 15.4583 15.4770 15.4770 k =-0.3625 0.1379 0.5349 ( 1410 PWs) bands (ev): -22.5754 -22.5753 -22.5753 -22.5753 -6.2688 -6.2688 -6.2373 -6.2373 -4.0601 -4.0600 -3.8919 -3.8919 -3.2881 -3.2881 -3.1483 -3.1483 12.3486 12.3486 12.3655 12.3655 14.7917 14.7917 14.8411 14.8411 15.4430 15.4430 15.4640 15.4640 k =-0.3750 0.1426 0.5349 ( 1408 PWs) bands (ev): -22.5749 -22.5748 -22.5748 -22.5748 -6.2864 -6.2864 -6.2578 -6.2578 -4.0466 -4.0466 -3.8938 -3.8937 -3.2667 -3.2667 -3.1395 -3.1395 12.3551 12.3551 12.3708 12.3708 14.8431 14.8431 14.8930 14.8931 15.4286 15.4286 15.4520 15.4520 k =-0.3875 0.1474 0.5349 ( 1402 PWs) bands (ev): -22.5744 -22.5744 -22.5744 -22.5744 -6.3023 -6.3023 -6.2766 -6.2766 -4.0339 -4.0339 -3.8964 -3.8964 -3.2463 -3.2463 -3.1318 -3.1318 12.3607 12.3608 12.3752 12.3752 14.8941 14.8941 14.9445 14.9445 15.4149 15.4149 15.4407 15.4407 k =-0.4000 0.1521 0.5349 ( 1404 PWs) bands (ev): -22.5740 -22.5740 -22.5740 -22.5739 -6.3165 -6.3165 -6.2936 -6.2936 -4.0218 -4.0218 -3.8997 -3.8997 -3.2271 -3.2271 -3.1253 -3.1253 12.3656 12.3657 12.3787 12.3787 14.9441 14.9441 14.9948 14.9948 15.4015 15.4015 15.4299 15.4299 k =-0.4125 0.1569 0.5349 ( 1404 PWs) bands (ev): -22.5737 -22.5736 -22.5736 -22.5736 -6.3289 -6.3289 -6.3089 -6.3089 -4.0104 -4.0104 -3.9037 -3.9037 -3.2092 -3.2091 -3.1202 -3.1201 12.3698 12.3699 12.3815 12.3815 14.9925 14.9925 15.0434 15.0434 15.3883 15.3883 15.4193 15.4193 k =-0.4250 0.1617 0.5349 ( 1408 PWs) bands (ev): -22.5733 -22.5733 -22.5733 -22.5733 -6.3395 -6.3395 -6.3224 -6.3224 -3.9996 -3.9996 -3.9083 -3.9082 -3.1926 -3.1926 -3.1164 -3.1164 12.3734 12.3734 12.3835 12.3835 15.0388 15.0388 15.0896 15.0896 15.3750 15.3750 15.4084 15.4084 k =-0.4375 0.1664 0.5349 ( 1412 PWs) bands (ev): -22.5731 -22.5730 -22.5730 -22.5730 -6.3483 -6.3483 -6.3341 -6.3341 -3.9893 -3.9893 -3.9133 -3.9133 -3.1775 -3.1775 -3.1140 -3.1140 12.3765 12.3765 12.3850 12.3850 15.0824 15.0824 15.1329 15.1329 15.3612 15.3612 15.3970 15.3970 k =-0.4500 0.1712 0.5349 ( 1412 PWs) bands (ev): -22.5728 -22.5728 -22.5728 -22.5728 -6.3553 -6.3553 -6.3439 -6.3439 -3.9796 -3.9796 -3.9189 -3.9189 -3.1639 -3.1639 -3.1132 -3.1132 12.3790 12.3790 12.3859 12.3859 15.1229 15.1229 15.1724 15.1724 15.3470 15.3470 15.3846 15.3846 k =-0.4625 0.1759 0.5349 ( 1412 PWs) bands (ev): -22.5726 -22.5726 -22.5726 -22.5726 -6.3604 -6.3604 -6.3519 -6.3519 -3.9704 -3.9704 -3.9249 -3.9249 -3.1519 -3.1519 -3.1139 -3.1139 12.3812 12.3812 12.3863 12.3864 15.1598 15.1599 15.2071 15.2072 15.3325 15.3325 15.3708 15.3708 k =-0.4750 0.1807 0.5349 ( 1412 PWs) bands (ev): -22.5725 -22.5725 -22.5725 -22.5725 -6.3637 -6.3636 -6.3580 -6.3580 -3.9617 -3.9617 -3.9314 -3.9314 -3.1415 -3.1415 -3.1162 -3.1161 12.3829 12.3829 12.3864 12.3864 15.1927 15.1927 15.2348 15.2348 15.3194 15.3194 15.3555 15.3555 k =-0.4875 0.1854 0.5349 ( 1414 PWs) bands (ev): -22.5724 -22.5724 -22.5724 -22.5724 -6.3651 -6.3650 -6.3622 -6.3622 -3.9534 -3.9534 -3.9383 -3.9383 -3.1327 -3.1327 -3.1200 -3.1200 12.3843 12.3843 12.3860 12.3860 15.2207 15.2207 15.2488 15.2488 15.3138 15.3138 15.3388 15.3388 k =-0.5000 0.1902 0.5349 ( 1418 PWs) bands (ev): -22.5724 -22.5724 -22.5724 -22.5724 -6.3646 -6.3646 -6.3646 -6.3646 -3.9456 -3.9456 -3.9456 -3.9456 -3.1255 -3.1255 -3.1255 -3.1255 12.3853 12.3853 12.3853 12.3853 15.2417 15.2417 15.2417 15.2417 15.3227 15.3227 15.3227 15.3227 k =-0.5000 0.1902 0.5349 ( 1418 PWs) bands (ev): -22.5724 -22.5724 -22.5724 -22.5724 -6.3646 -6.3646 -6.3646 -6.3646 -3.9456 -3.9456 -3.9456 -3.9456 -3.1255 -3.1255 -3.1255 -3.1255 12.3853 12.3853 12.3853 12.3853 15.2417 15.2417 15.2417 15.2417 15.3227 15.3227 15.3227 15.3227 k =-0.4911 0.1868 0.5254 ( 1410 PWs) bands (ev): -22.5727 -22.5727 -22.5721 -22.5721 -6.3652 -6.3652 -6.3621 -6.3620 -3.9535 -3.9535 -3.9382 -3.9382 -3.1328 -3.1328 -3.1200 -3.1200 12.3824 12.3824 12.3879 12.3879 15.2192 15.2192 15.2521 15.2521 15.3078 15.3078 15.3428 15.3428 k =-0.4821 0.1834 0.5158 ( 1410 PWs) bands (ev): -22.5737 -22.5737 -22.5713 -22.5713 -6.3646 -6.3646 -6.3569 -6.3569 -3.9619 -3.9619 -3.9312 -3.9312 -3.1419 -3.1419 -3.1159 -3.1158 12.3741 12.3741 12.3951 12.3951 15.1879 15.1879 15.2571 15.2571 15.2831 15.2831 15.3738 15.3738 k =-0.4732 0.1800 0.5063 ( 1412 PWs) bands (ev): -22.5754 -22.5754 -22.5699 -22.5699 -6.3631 -6.3631 -6.3488 -6.3488 -3.9709 -3.9709 -3.9245 -3.9245 -3.1529 -3.1529 -3.1131 -3.1130 12.3604 12.3604 12.4071 12.4071 15.1529 15.1529 15.2431 15.2431 15.2634 15.2634 15.4097 15.4097 k =-0.4643 0.1766 0.4967 ( 1414 PWs) bands (ev): -22.5777 -22.5777 -22.5679 -22.5679 -6.3609 -6.3609 -6.3377 -6.3377 -3.9805 -3.9805 -3.9182 -3.9182 -3.1660 -3.1660 -3.1114 -3.1113 12.3415 12.3415 12.4237 12.4237 15.1156 15.1156 15.1922 15.1922 15.2696 15.2696 15.4473 15.4473 k =-0.4554 0.1732 0.4872 ( 1410 PWs) bands (ev): -22.5807 -22.5807 -22.5654 -22.5654 -6.3580 -6.3580 -6.3235 -6.3235 -3.9909 -3.9909 -3.9122 -3.9121 -3.1812 -3.1812 -3.1106 -3.1106 12.3175 12.3175 12.4446 12.4446 15.0739 15.0739 15.1325 15.1325 15.2782 15.2782 15.4853 15.4853 k =-0.4464 0.1698 0.4776 ( 1410 PWs) bands (ev): -22.5843 -22.5843 -22.5623 -22.5623 -6.3545 -6.3545 -6.3062 -6.3062 -4.0021 -4.0021 -3.9064 -3.9064 -3.1984 -3.1984 -3.1107 -3.1107 12.2886 12.2886 12.4697 12.4697 15.0177 15.0177 15.0764 15.0764 15.2893 15.2893 15.5228 15.5228 k =-0.4375 0.1664 0.4681 ( 1410 PWs) bands (ev): -22.5885 -22.5885 -22.5588 -22.5588 -6.3504 -6.3504 -6.2859 -6.2859 -4.0142 -4.0142 -3.9009 -3.9009 -3.2174 -3.2174 -3.1115 -3.1115 12.2552 12.2552 12.4985 12.4985 14.9391 14.9391 15.0331 15.0331 15.3033 15.3033 15.5590 15.5590 k =-0.4286 0.1630 0.4585 ( 1410 PWs) bands (ev): -22.5933 -22.5933 -22.5546 -22.5546 -6.3457 -6.3457 -6.2626 -6.2626 -4.0275 -4.0275 -3.8957 -3.8957 -3.2382 -3.2382 -3.1129 -3.1129 12.2175 12.2175 12.5309 12.5309 14.8460 14.8460 14.9964 14.9965 15.3207 15.3207 15.5932 15.5932 k =-0.4196 0.1596 0.4490 ( 1414 PWs) bands (ev): -22.5988 -22.5988 -22.5500 -22.5500 -6.3404 -6.3404 -6.2364 -6.2363 -4.0420 -4.0420 -3.8907 -3.8907 -3.2605 -3.2605 -3.1148 -3.1148 12.1759 12.1759 12.5662 12.5662 14.7438 14.7438 14.9624 14.9624 15.3418 15.3418 15.6247 15.6247 k =-0.4107 0.1562 0.4394 ( 1410 PWs) bands (ev): -22.6048 -22.6048 -22.5449 -22.5449 -6.3345 -6.3345 -6.2073 -6.2073 -4.0579 -4.0578 -3.8859 -3.8859 -3.2841 -3.2841 -3.1172 -3.1172 12.1305 12.1305 12.6041 12.6041 14.6349 14.6349 14.9298 14.9298 15.3673 15.3673 15.6528 15.6528 k =-0.4018 0.1528 0.4299 ( 1410 PWs) bands (ev): -22.6113 -22.6113 -22.5393 -22.5393 -6.3281 -6.3281 -6.1755 -6.1755 -4.0753 -4.0753 -3.8814 -3.8814 -3.3085 -3.3085 -3.1201 -3.1201 12.0818 12.0818 12.6442 12.6442 14.5207 14.5207 14.8981 14.8981 15.3976 15.3976 15.6767 15.6767 k =-0.3929 0.1494 0.4203 ( 1408 PWs) bands (ev): -22.6184 -22.6184 -22.5332 -22.5332 -6.3212 -6.3212 -6.1409 -6.1409 -4.0946 -4.0946 -3.8770 -3.8770 -3.3335 -3.3335 -3.1233 -3.1233 12.0300 12.0300 12.6859 12.6859 14.4024 14.4024 14.8674 14.8674 15.4333 15.4333 15.6957 15.6957 k =-0.3839 0.1460 0.4108 ( 1409 PWs) bands (ev): -22.6260 -22.6260 -22.5267 -22.5267 -6.3139 -6.3139 -6.1038 -6.1038 -4.1158 -4.1157 -3.8729 -3.8729 -3.3587 -3.3587 -3.1268 -3.1268 11.9754 11.9754 12.7287 12.7287 14.2808 14.2808 14.8374 14.8374 15.4748 15.4748 15.7091 15.7091 k =-0.3750 0.1426 0.4012 ( 1407 PWs) bands (ev): -22.6340 -22.6340 -22.5197 -22.5197 -6.3060 -6.3060 -6.0643 -6.0643 -4.1391 -4.1391 -3.8689 -3.8689 -3.3837 -3.3837 -3.1307 -3.1307 11.9181 11.9181 12.7722 12.7722 14.1567 14.1567 14.8083 14.8083 15.5228 15.5228 15.7164 15.7164 k =-0.3661 0.1392 0.3917 ( 1411 PWs) bands (ev): -22.6425 -22.6425 -22.5123 -22.5123 -6.2978 -6.2978 -6.0223 -6.0223 -4.1647 -4.1647 -3.8652 -3.8652 -3.4081 -3.4081 -3.1349 -3.1349 11.8585 11.8585 12.8158 12.8158 14.0308 14.0308 14.7801 14.7801 15.5775 15.5775 15.7171 15.7171 k =-0.3571 0.1358 0.3821 ( 1419 PWs) bands (ev): -22.6514 -22.6514 -22.5045 -22.5045 -6.2892 -6.2892 -5.9781 -5.9781 -4.1928 -4.1928 -3.8616 -3.8616 -3.4316 -3.4316 -3.1393 -3.1393 11.7967 11.7967 12.8591 12.8591 13.9037 13.9037 14.7528 14.7528 15.6391 15.6391 15.7110 15.7110 k =-0.3482 0.1324 0.3726 ( 1419 PWs) bands (ev): -22.6607 -22.6607 -22.4963 -22.4963 -6.2803 -6.2803 -5.9318 -5.9318 -4.2234 -4.2234 -3.8582 -3.8581 -3.4538 -3.4538 -3.1440 -3.1440 11.7328 11.7328 12.9018 12.9018 13.7757 13.7757 14.7266 14.7266 15.6914 15.6914 15.7145 15.7145 k =-0.3393 0.1291 0.3630 ( 1415 PWs) bands (ev): -22.6703 -22.6703 -22.4878 -22.4878 -6.2711 -6.2711 -5.8836 -5.8836 -4.2565 -4.2565 -3.8549 -3.8549 -3.4745 -3.4745 -3.1488 -3.1488 11.6672 11.6672 12.9436 12.9436 13.6475 13.6475 14.7014 14.7014 15.6735 15.6735 15.7885 15.7885 k =-0.3304 0.1257 0.3534 ( 1419 PWs) bands (ev): -22.6802 -22.6802 -22.4789 -22.4789 -6.2616 -6.2616 -5.8335 -5.8335 -4.2922 -4.2922 -3.8517 -3.8517 -3.4936 -3.4935 -3.1539 -3.1539 11.5998 11.5998 12.9840 12.9840 13.5193 13.5193 14.6775 14.6775 15.6450 15.6450 15.8739 15.8739 k =-0.3214 0.1223 0.3439 ( 1419 PWs) bands (ev): -22.6905 -22.6905 -22.4698 -22.4698 -6.2519 -6.2519 -5.7818 -5.7818 -4.3303 -4.3303 -3.8486 -3.8486 -3.5107 -3.5107 -3.1591 -3.1591 11.5308 11.5308 13.0231 13.0231 13.3917 13.3917 14.6548 14.6548 15.6092 15.6092 15.9676 15.9676 k =-0.3125 0.1189 0.3343 ( 1413 PWs) bands (ev): -22.7010 -22.7010 -22.4604 -22.4604 -6.2421 -6.2421 -5.7287 -5.7287 -4.3707 -4.3707 -3.8456 -3.8455 -3.5259 -3.5259 -3.1644 -3.1644 11.4604 11.4604 13.0602 13.0602 13.2652 13.2652 14.6335 14.6335 15.5666 15.5666 16.0696 16.0696 k =-0.3036 0.1155 0.3248 ( 1409 PWs) bands (ev): -22.7116 -22.7116 -22.4507 -22.4507 -6.2322 -6.2322 -5.6743 -5.6743 -4.4131 -4.4131 -3.8425 -3.8425 -3.5392 -3.5392 -3.1699 -3.1699 11.3886 11.3886 13.0919 13.0919 13.1436 13.1436 14.6136 14.6136 15.5178 15.5178 16.1795 16.1795 k =-0.2946 0.1121 0.3152 ( 1411 PWs) bands (ev): -22.7225 -22.7225 -22.4408 -22.4408 -6.2223 -6.2223 -5.6188 -5.6188 -4.4574 -4.4574 -3.8394 -3.8394 -3.5505 -3.5505 -3.1755 -3.1755 11.3156 11.3156 13.0107 13.0107 13.1348 13.1348 14.5953 14.5953 15.4635 15.4635 16.2973 16.2973 k =-0.2857 0.1087 0.3057 ( 1423 PWs) bands (ev): -22.7335 -22.7335 -22.4307 -22.4307 -6.2125 -6.2125 -5.5625 -5.5625 -4.5032 -4.5032 -3.8361 -3.8361 -3.5600 -3.5600 -3.1811 -3.1811 11.2414 11.2414 12.8887 12.8887 13.1669 13.1669 14.5786 14.5786 15.4043 15.4043 16.4226 16.4226 k =-0.2768 0.1053 0.2961 ( 1421 PWs) bands (ev): -22.7447 -22.7447 -22.4205 -22.4205 -6.2027 -6.2027 -5.5055 -5.5055 -4.5501 -4.5501 -3.8326 -3.8326 -3.5677 -3.5677 -3.1868 -3.1868 11.1661 11.1661 12.7675 12.7675 13.1987 13.1987 14.5636 14.5636 15.3412 15.3412 16.5553 16.5553 k =-0.2679 0.1019 0.2866 ( 1421 PWs) bands (ev): -22.7558 -22.7558 -22.4101 -22.4101 -6.1931 -6.1931 -5.4483 -5.4483 -4.5979 -4.5979 -3.8288 -3.8288 -3.5737 -3.5737 -3.1925 -3.1925 11.0899 11.0899 12.6482 12.6482 13.2295 13.2295 14.5502 14.5502 15.2749 15.2749 16.6949 16.6949 k =-0.2589 0.0985 0.2770 ( 1421 PWs) bands (ev): -22.7671 -22.7671 -22.3996 -22.3996 -6.1838 -6.1838 -5.3909 -5.3909 -4.6463 -4.6463 -3.8247 -3.8247 -3.5782 -3.5782 -3.1982 -3.1982 11.0129 11.0129 12.5309 12.5309 13.2594 13.2594 14.5386 14.5386 15.2063 15.2063 16.8410 16.8410 k =-0.2500 0.0951 0.2675 ( 1421 PWs) bands (ev): -22.7783 -22.7783 -22.3891 -22.3891 -6.1748 -6.1748 -5.3337 -5.3337 -4.6948 -4.6948 -3.8201 -3.8201 -3.5812 -3.5812 -3.2039 -3.2039 10.9351 10.9351 12.4160 12.4160 13.2885 13.2885 14.5286 14.5286 15.1361 15.1361 16.9931 16.9931 k =-0.2411 0.0917 0.2579 ( 1421 PWs) bands (ev): -22.7895 -22.7895 -22.3785 -22.3785 -6.1662 -6.1662 -5.2770 -5.2770 -4.7432 -4.7432 -3.8150 -3.8149 -3.5828 -3.5828 -3.2096 -3.2096 10.8567 10.8567 12.3036 12.3036 13.3169 13.3169 14.5201 14.5201 15.0653 15.0653 17.1509 17.1509 k =-0.2321 0.0883 0.2484 ( 1427 PWs) bands (ev): -22.8006 -22.8006 -22.3679 -22.3679 -6.1581 -6.1581 -5.2211 -5.2211 -4.7909 -4.7909 -3.8093 -3.8092 -3.5832 -3.5832 -3.2153 -3.2153 10.7779 10.7779 12.1939 12.1939 13.3449 13.3449 14.5128 14.5128 14.9948 14.9948 17.3137 17.3137 k =-0.2232 0.0849 0.2388 ( 1423 PWs) bands (ev): -22.8116 -22.8116 -22.3574 -22.3574 -6.1505 -6.1505 -5.1666 -5.1666 -4.8377 -4.8377 -3.8029 -3.8029 -3.5822 -3.5822 -3.2209 -3.2208 10.6988 10.6988 12.0870 12.0870 13.3725 13.3725 14.5064 14.5064 14.9257 14.9257 17.4811 17.4811 k =-0.2143 0.0815 0.2293 ( 1423 PWs) bands (ev): -22.8225 -22.8225 -22.3469 -22.3469 -6.1437 -6.1437 -5.1142 -5.1142 -4.8826 -4.8826 -3.7959 -3.7959 -3.5801 -3.5800 -3.2264 -3.2263 10.6195 10.6195 11.9831 11.9831 13.3998 13.3998 14.4999 14.4999 14.8593 14.8593 17.6523 17.6523 k =-0.2054 0.0781 0.2197 ( 1419 PWs) bands (ev): -22.8332 -22.8332 -22.3366 -22.3366 -6.1376 -6.1376 -5.0656 -5.0656 -4.9240 -4.9240 -3.7883 -3.7883 -3.5767 -3.5766 -3.2318 -3.2317 10.5404 10.5404 11.8824 11.8824 13.4271 13.4271 14.4921 14.4921 14.7975 14.7975 17.8266 17.8266 k =-0.1964 0.0747 0.2102 ( 1415 PWs) bands (ev): -22.8437 -22.8437 -22.3263 -22.3263 -6.1323 -6.1323 -5.0298 -5.0298 -4.9530 -4.9530 -3.7800 -3.7800 -3.5720 -3.5719 -3.2370 -3.2370 10.4616 10.4616 11.7850 11.7850 13.4542 13.4542 14.4805 14.4805 14.7431 14.7431 18.0028 18.0028 k =-0.1875 0.0713 0.2006 ( 1413 PWs) bands (ev): -22.8539 -22.8539 -22.3163 -22.3163 -6.1280 -6.1280 -5.0363 -5.0362 -4.9400 -4.9400 -3.7712 -3.7712 -3.5659 -3.5659 -3.2422 -3.2422 10.3832 10.3832 11.6910 11.6910 13.4813 13.4813 14.4620 14.4620 14.6996 14.6996 18.1793 18.1793 k =-0.1786 0.0679 0.1911 ( 1409 PWs) bands (ev): -22.8639 -22.8639 -22.3064 -22.3064 -6.1246 -6.1246 -5.0686 -5.0686 -4.9016 -4.9016 -3.7619 -3.7619 -3.5585 -3.5585 -3.2472 -3.2472 10.3057 10.3057 11.6006 11.6006 13.5084 13.5084 14.4334 14.4334 14.6704 14.6704 18.3524 18.3524 k =-0.1696 0.0645 0.1815 ( 1405 PWs) bands (ev): -22.8736 -22.8736 -22.2968 -22.2968 -6.1223 -6.1223 -5.1041 -5.1041 -4.8604 -4.8604 -3.7524 -3.7524 -3.5496 -3.5495 -3.2520 -3.2520 10.2292 10.2292 11.5138 11.5138 13.5355 13.5355 14.3950 14.3950 14.6554 14.6554 18.5040 18.5040 k =-0.1607 0.0611 0.1719 ( 1405 PWs) bands (ev): -22.8830 -22.8830 -22.2875 -22.2875 -6.1210 -6.1210 -5.1387 -5.1387 -4.8206 -4.8206 -3.7429 -3.7428 -3.5390 -3.5390 -3.2566 -3.2566 10.1541 10.1541 11.4308 11.4308 13.5626 13.5626 14.3497 14.3497 14.6518 14.6518 18.5325 18.5325 k =-0.1518 0.0577 0.1624 ( 1409 PWs) bands (ev): -22.8920 -22.8920 -22.2784 -22.2784 -6.1209 -6.1209 -5.1714 -5.1714 -4.7830 -4.7830 -3.7334 -3.7334 -3.5269 -3.5268 -3.2611 -3.2611 10.0806 10.0806 11.3516 11.3516 13.5896 13.5896 14.3012 14.3012 14.6561 14.6561 18.5062 18.5062 k =-0.1429 0.0543 0.1528 ( 1409 PWs) bands (ev): -22.9007 -22.9007 -22.2697 -22.2697 -6.1218 -6.1218 -5.2019 -5.2019 -4.7481 -4.7481 -3.7243 -3.7243 -3.5131 -3.5131 -3.2653 -3.2653 10.0090 10.0090 11.2764 11.2764 13.6164 13.6164 14.2519 14.2519 14.6656 14.6656 18.4765 18.4765 k =-0.1339 0.0509 0.1433 ( 1409 PWs) bands (ev): -22.9089 -22.9089 -22.2613 -22.2613 -6.1238 -6.1238 -5.2300 -5.2300 -4.7160 -4.7160 -3.7157 -3.7157 -3.4978 -3.4977 -3.2693 -3.2693 9.9396 9.9396 11.2053 11.2053 13.6430 13.6430 14.2035 14.2035 14.6789 14.6789 18.4472 18.4472 k =-0.1250 0.0475 0.1337 ( 1407 PWs) bands (ev): -22.9168 -22.9168 -22.2533 -22.2533 -6.1268 -6.1268 -5.2556 -5.2556 -4.6867 -4.6867 -3.7077 -3.7077 -3.4810 -3.4810 -3.2730 -3.2730 9.8729 9.8729 11.1384 11.1384 13.6692 13.6692 14.1568 14.1568 14.6949 14.6949 18.4190 18.4190 k =-0.1161 0.0441 0.1242 ( 1399 PWs) bands (ev): -22.9241 -22.9241 -22.2458 -22.2458 -6.1307 -6.1307 -5.2787 -5.2787 -4.6602 -4.6602 -3.7004 -3.7004 -3.4632 -3.4632 -3.2764 -3.2764 9.8090 9.8090 11.0757 11.0757 13.6949 13.6949 14.1125 14.1125 14.7127 14.7127 18.3924 18.3924 k =-0.1071 0.0408 0.1146 ( 1405 PWs) bands (ev): -22.9311 -22.9311 -22.2387 -22.2387 -6.1353 -6.1353 -5.2993 -5.2993 -4.6365 -4.6365 -3.6938 -3.6938 -3.4446 -3.4446 -3.2795 -3.2795 9.7483 9.7483 11.0173 11.0173 13.7199 13.7199 14.0708 14.0708 14.7319 14.7319 18.3673 18.3673 k =-0.0982 0.0374 0.1051 ( 1409 PWs) bands (ev): -22.9375 -22.9375 -22.2320 -22.2320 -6.1405 -6.1405 -5.3176 -5.3176 -4.6154 -4.6154 -3.6879 -3.6879 -3.4257 -3.4257 -3.2823 -3.2823 9.6911 9.6911 10.9633 10.9633 13.7440 13.7440 14.0321 14.0321 14.7519 14.7519 18.3439 18.3439 k =-0.0893 0.0340 0.0955 ( 1411 PWs) bands (ev): -22.9435 -22.9435 -22.2259 -22.2259 -6.1462 -6.1462 -5.3336 -5.3336 -4.5968 -4.5968 -3.6828 -3.6827 -3.4069 -3.4069 -3.2846 -3.2846 9.6377 9.6377 10.9138 10.9138 13.7670 13.7670 13.9965 13.9965 14.7723 14.7723 18.3224 18.3224 k =-0.0804 0.0306 0.0860 ( 1411 PWs) bands (ev): -22.9489 -22.9489 -22.2203 -22.2203 -6.1521 -6.1520 -5.3474 -5.3474 -4.5805 -4.5805 -3.6782 -3.6782 -3.3887 -3.3886 -3.2864 -3.2864 9.5884 9.5884 10.8688 10.8688 13.7887 13.7887 13.9641 13.9641 14.7926 14.7926 18.3028 18.3028 k =-0.0714 0.0272 0.0764 ( 1415 PWs) bands (ev): -22.9538 -22.9538 -22.2152 -22.2152 -6.1580 -6.1580 -5.3592 -5.3592 -4.5664 -4.5664 -3.6743 -3.6743 -3.3716 -3.3716 -3.2876 -3.2876 9.5435 9.5435 10.8283 10.8283 13.8089 13.8089 13.9351 13.9351 14.8123 14.8123 18.2850 18.2850 k =-0.0625 0.0238 0.0669 ( 1415 PWs) bands (ev): -22.9581 -22.9581 -22.2106 -22.2106 -6.1637 -6.1637 -5.3692 -5.3692 -4.5544 -4.5544 -3.6710 -3.6709 -3.3562 -3.3562 -3.2879 -3.2879 9.5032 9.5032 10.7925 10.7925 13.8274 13.8274 13.9093 13.9093 14.8310 14.8310 18.2693 18.2693 k =-0.0536 0.0204 0.0573 ( 1417 PWs) bands (ev): -22.9619 -22.9619 -22.2067 -22.2067 -6.1691 -6.1691 -5.3776 -5.3776 -4.5442 -4.5442 -3.6681 -3.6681 -3.3433 -3.3433 -3.2872 -3.2872 9.4678 9.4678 10.7614 10.7614 13.8440 13.8440 13.8870 13.8870 14.8484 14.8484 18.2555 18.2555 k =-0.0446 0.0170 0.0478 ( 1421 PWs) bands (ev): -22.9651 -22.9651 -22.2033 -22.2033 -6.1740 -6.1740 -5.3843 -5.3843 -4.5359 -4.5359 -3.6658 -3.6658 -3.3332 -3.3332 -3.2850 -3.2850 9.4375 9.4375 10.7351 10.7351 13.8584 13.8584 13.8681 13.8681 14.8638 14.8638 18.2437 18.2437 k =-0.0357 0.0136 0.0382 ( 1417 PWs) bands (ev): -22.9678 -22.9678 -22.2005 -22.2005 -6.1783 -6.1783 -5.3897 -5.3897 -4.5292 -4.5292 -3.6639 -3.6639 -3.3263 -3.3263 -3.2816 -3.2816 9.4124 9.4124 10.7134 10.7134 13.8525 13.8525 13.8705 13.8705 14.8771 14.8771 18.2338 18.2338 k =-0.0268 0.0102 0.0287 ( 1421 PWs) bands (ev): -22.9699 -22.9699 -22.1983 -22.1983 -6.1817 -6.1817 -5.3937 -5.3937 -4.5241 -4.5241 -3.6624 -3.6624 -3.3221 -3.3221 -3.2775 -3.2775 9.3928 9.3928 10.6966 10.6966 13.8404 13.8404 13.8801 13.8801 14.8878 14.8878 18.2257 18.2257 k =-0.0179 0.0068 0.0191 ( 1423 PWs) bands (ev): -22.9713 -22.9713 -22.1968 -22.1968 -6.1842 -6.1842 -5.3966 -5.3966 -4.5205 -4.5205 -3.6614 -3.6614 -3.3197 -3.3197 -3.2738 -3.2738 9.3786 9.3786 10.6845 10.6845 13.8318 13.8318 13.8870 13.8870 14.8956 14.8956 18.2190 18.2190 k =-0.0089 0.0034 0.0096 ( 1427 PWs) bands (ev): -22.9722 -22.9722 -22.1958 -22.1958 -6.1857 -6.1857 -5.3983 -5.3983 -4.5184 -4.5184 -3.6608 -3.6608 -3.3186 -3.3186 -3.2713 -3.2713 9.3701 9.3701 10.6773 10.6773 13.8266 13.8266 13.8912 13.8912 14.9004 14.9004 18.2135 18.2135 k = 0.0000 0.0000 0.0000 ( 1429 PWs) bands (ev): -22.9725 -22.9725 -22.1955 -22.1955 -6.1863 -6.1863 -5.3988 -5.3988 -4.5176 -4.5176 -3.6606 -3.6606 -3.3182 -3.3182 -3.2704 -3.2704 9.3673 9.3673 10.6749 10.6749 13.8249 13.8249 13.8926 13.8926 14.9021 14.9021 18.2112 18.2112 k = 0.0000 0.0000 0.0000 ( 1429 PWs) bands (ev): -22.9725 -22.9725 -22.1955 -22.1955 -6.1863 -6.1863 -5.3988 -5.3988 -4.5176 -4.5176 -3.6606 -3.6606 -3.3182 -3.3182 -3.2704 -3.2704 9.3673 9.3673 10.6749 10.6749 13.8249 13.8249 13.8926 13.8926 14.9021 14.9021 18.2112 18.2112 k = 0.0048 0.0126-0.0000 ( 1429 PWs) bands (ev): -22.9722 -22.9722 -22.1953 -22.1953 -6.1860 -6.1860 -5.3985 -5.3985 -4.5183 -4.5183 -3.6624 -3.6624 -3.3197 -3.3197 -3.2703 -3.2703 9.3702 9.3702 10.6762 10.6762 13.8236 13.8236 13.8998 13.8998 14.9054 14.9054 18.1375 18.1376 k = 0.0096 0.0253-0.0000 ( 1413 PWs) bands (ev): -22.9714 -22.9714 -22.1949 -22.1949 -6.1853 -6.1853 -5.3977 -5.3977 -4.5203 -4.5203 -3.6676 -3.6676 -3.3242 -3.3242 -3.2702 -3.2702 9.3791 9.3791 10.6802 10.6802 13.8213 13.8213 13.9195 13.9195 14.9154 14.9154 17.9778 17.9778 k = 0.0144 0.0379-0.0000 ( 1413 PWs) bands (ev): -22.9699 -22.9699 -22.1941 -22.1941 -6.1841 -6.1841 -5.3963 -5.3963 -4.5236 -4.5236 -3.6763 -3.6763 -3.3316 -3.3316 -3.2700 -3.2700 9.3939 9.3939 10.6868 10.6868 13.8204 13.8204 13.9495 13.9495 14.9321 14.9321 17.7900 17.7900 k = 0.0192 0.0506-0.0000 ( 1413 PWs) bands (ev): -22.9679 -22.9679 -22.1931 -22.1931 -6.1825 -6.1825 -5.3944 -5.3944 -4.5283 -4.5283 -3.6883 -3.6883 -3.3418 -3.3418 -3.2697 -3.2697 9.4144 9.4144 10.6961 10.6961 13.8220 13.8220 13.9885 13.9885 14.9555 14.9555 17.5929 17.5929 k = 0.0241 0.0632-0.0000 ( 1413 PWs) bands (ev): -22.9653 -22.9653 -22.1917 -22.1917 -6.1804 -6.1804 -5.3920 -5.3920 -4.5345 -4.5345 -3.7037 -3.7037 -3.3547 -3.3547 -3.2693 -3.2693 9.4407 9.4407 10.7081 10.7081 13.8262 13.8262 14.0363 14.0363 14.9855 14.9855 17.3929 17.3929 k = 0.0289 0.0759-0.0000 ( 1413 PWs) bands (ev): -22.9621 -22.9621 -22.1901 -22.1901 -6.1778 -6.1778 -5.3890 -5.3890 -4.5421 -4.5421 -3.7224 -3.7224 -3.3700 -3.3700 -3.2689 -3.2689 9.4725 9.4725 10.7227 10.7227 13.8331 13.8331 14.0928 14.0928 15.0220 15.0220 17.1925 17.1925 k = 0.0337 0.0885-0.0000 ( 1413 PWs) bands (ev): -22.9584 -22.9584 -22.1882 -22.1882 -6.1748 -6.1748 -5.3856 -5.3856 -4.5512 -4.5512 -3.7441 -3.7441 -3.3876 -3.3876 -3.2684 -3.2684 9.5097 9.5097 10.7400 10.7400 13.8424 13.8424 14.1579 14.1579 15.0652 15.0652 16.9931 16.9931 k = 0.0385 0.1012-0.0000 ( 1413 PWs) bands (ev): -22.9541 -22.9541 -22.1860 -22.1860 -6.1714 -6.1714 -5.3817 -5.3817 -4.5621 -4.5621 -3.7688 -3.7688 -3.4073 -3.4073 -3.2679 -3.2679 9.5521 9.5521 10.7599 10.7599 13.8541 13.8541 14.2316 14.2316 15.1149 15.1149 16.7955 16.7955 k = 0.0433 0.1138-0.0000 ( 1413 PWs) bands (ev): -22.9493 -22.9493 -22.1835 -22.1835 -6.1676 -6.1676 -5.3774 -5.3774 -4.5746 -4.5746 -3.7963 -3.7963 -3.4286 -3.4286 -3.2673 -3.2673 9.5995 9.5995 10.7824 10.7824 13.8680 13.8680 14.3140 14.3140 15.1710 15.1710 16.6002 16.6002 k = 0.0481 0.1265-0.0000 ( 1413 PWs) bands (ev): -22.9440 -22.9440 -22.1808 -22.1808 -6.1635 -6.1635 -5.3728 -5.3728 -4.5890 -4.5890 -3.8265 -3.8265 -3.4514 -3.4514 -3.2667 -3.2667 9.6517 9.6517 10.8076 10.8076 13.8840 13.8840 14.4047 14.4047 15.2335 15.2335 16.4075 16.4075 k = 0.0529 0.1391-0.0000 ( 1413 PWs) bands (ev): -22.9382 -22.9382 -22.1779 -22.1779 -6.1590 -6.1590 -5.3677 -5.3677 -4.6053 -4.6053 -3.8591 -3.8591 -3.4753 -3.4753 -3.2661 -3.2661 9.7085 9.7085 10.8355 10.8355 13.9019 13.9019 14.5038 14.5038 15.3022 15.3022 16.2177 16.2177 k = 0.0577 0.1518-0.0000 ( 1417 PWs) bands (ev): -22.9319 -22.9319 -22.1747 -22.1747 -6.1542 -6.1542 -5.3624 -5.3624 -4.6235 -4.6235 -3.8941 -3.8941 -3.4999 -3.4999 -3.2654 -3.2654 9.7697 9.7697 10.8659 10.8659 13.9218 13.9218 14.6109 14.6109 15.3771 15.3771 16.0311 16.0311 k = 0.0625 0.1644-0.0000 ( 1417 PWs) bands (ev): -22.9251 -22.9251 -22.1713 -22.1713 -6.1491 -6.1491 -5.3569 -5.3569 -4.6439 -4.6439 -3.9311 -3.9311 -3.5250 -3.5250 -3.2648 -3.2648 9.8349 9.8349 10.8990 10.8990 13.9435 13.9435 14.7260 14.7260 15.4577 15.4577 15.8478 15.8478 k = 0.0674 0.1771-0.0000 ( 1417 PWs) bands (ev): -22.9178 -22.9178 -22.1678 -22.1678 -6.1438 -6.1438 -5.3512 -5.3512 -4.6664 -4.6664 -3.9701 -3.9701 -3.5502 -3.5502 -3.2641 -3.2641 9.9039 9.9039 10.9347 10.9347 13.9670 13.9670 14.8487 14.8487 15.5422 15.5422 15.6679 15.6679 k = 0.0722 0.1897-0.0000 ( 1405 PWs) bands (ev): -22.9101 -22.9101 -22.1641 -22.1641 -6.1383 -6.1383 -5.3454 -5.3454 -4.6910 -4.6910 -4.0108 -4.0108 -3.5752 -3.5752 -3.2635 -3.2635 9.9766 9.9766 10.9730 10.9730 13.9922 13.9922 14.9788 14.9788 15.4917 15.4917 15.5057 15.5057 k = 0.0770 0.2024-0.0000 ( 1405 PWs) bands (ev): -22.9019 -22.9019 -22.1602 -22.1602 -6.1326 -6.1326 -5.3397 -5.3397 -4.7178 -4.7178 -4.0529 -4.0529 -3.5996 -3.5996 -3.2628 -3.2628 10.0526 10.0526 11.0139 11.0139 14.0190 14.0190 15.1159 15.1159 15.3192 15.3192 15.3349 15.3349 k = 0.0818 0.2150-0.0000 ( 1405 PWs) bands (ev): -22.8934 -22.8934 -22.1561 -22.1561 -6.1267 -6.1267 -5.3341 -5.3341 -4.7466 -4.7466 -4.0963 -4.0963 -3.6233 -3.6233 -3.2622 -3.2622 10.1317 10.1317 11.0574 11.0574 14.0474 14.0474 15.1505 15.1505 15.1657 15.1657 15.2598 15.2598 k = 0.0866 0.2277-0.0000 ( 1405 PWs) bands (ev): -22.8845 -22.8845 -22.1520 -22.1520 -6.1208 -6.1208 -5.3288 -5.3288 -4.7774 -4.7774 -4.1407 -4.1407 -3.6459 -3.6459 -3.2617 -3.2617 10.2137 10.2137 11.1035 11.1035 14.0772 14.0772 14.9859 14.9859 15.0000 15.0000 15.4101 15.4101 k = 0.0914 0.2403-0.0000 ( 1393 PWs) bands (ev): -22.8752 -22.8752 -22.1478 -22.1478 -6.1149 -6.1149 -5.3240 -5.3240 -4.8100 -4.8100 -4.1859 -4.1859 -3.6673 -3.6673 -3.2611 -3.2611 10.2984 10.2984 11.1521 11.1521 14.1085 14.1085 14.8252 14.8252 14.8381 14.8381 15.5665 15.5665 k = 0.0962 0.2530-0.0000 ( 1401 PWs) bands (ev): -22.8656 -22.8656 -22.1435 -22.1435 -6.1090 -6.1090 -5.3200 -5.3200 -4.8440 -4.8440 -4.2317 -4.2317 -3.6874 -3.6874 -3.2606 -3.2606 10.3855 10.3855 11.2034 11.2034 14.1411 14.1411 14.6687 14.6687 14.6803 14.6803 15.7285 15.7285 k = 0.1010 0.2656-0.0000 ( 1398 PWs) bands (ev): -22.8557 -22.8557 -22.1391 -22.1391 -6.1032 -6.1032 -5.3169 -5.3169 -4.8790 -4.8790 -4.2779 -4.2779 -3.7059 -3.7059 -3.2602 -3.2602 10.4749 10.4749 11.2571 11.2571 14.1749 14.1749 14.5164 14.5164 14.5266 14.5266 15.8959 15.8959 k = 0.1058 0.2783-0.0000 ( 1406 PWs) bands (ev): -22.8455 -22.8455 -22.1347 -22.1347 -6.0974 -6.0974 -5.3154 -5.3154 -4.9145 -4.9145 -4.3242 -4.3242 -3.7229 -3.7229 -3.2598 -3.2598 10.5665 10.5665 11.3134 11.3134 14.2094 14.2094 14.3690 14.3690 14.3770 14.3770 16.0681 16.0681 k = 0.1107 0.2909-0.0000 ( 1406 PWs) bands (ev): -22.8350 -22.8350 -22.1303 -22.1303 -6.0919 -6.0919 -5.3159 -5.3159 -4.9499 -4.9499 -4.3704 -4.3704 -3.7383 -3.7383 -3.2595 -3.2595 10.6599 10.6599 11.3722 11.3722 14.2163 14.2163 14.2318 14.2318 14.2545 14.2545 16.2448 16.2448 k = 0.1155 0.3036-0.0000 ( 1406 PWs) bands (ev): -22.8243 -22.8243 -22.1260 -22.1260 -6.0866 -6.0866 -5.3191 -5.3191 -4.9841 -4.9841 -4.4164 -4.4164 -3.7521 -3.7521 -3.2593 -3.2593 10.7551 10.7551 11.4335 11.4335 14.0830 14.0830 14.0908 14.0908 14.2857 14.2857 16.4254 16.4254 k = 0.1203 0.3162-0.0000 ( 1406 PWs) bands (ev): -22.8135 -22.8135 -22.1216 -22.1216 -6.0815 -6.0815 -5.3261 -5.3261 -5.0161 -5.0161 -4.4618 -4.4618 -3.7644 -3.7644 -3.2591 -3.2591 10.8519 10.8519 11.4973 11.4973 13.9484 13.9484 13.9543 13.9543 14.3236 14.3236 16.6095 16.6095 k = 0.1251 0.3289-0.0000 ( 1410 PWs) bands (ev): -22.8024 -22.8024 -22.1174 -22.1174 -6.0768 -6.0768 -5.3378 -5.3378 -5.0447 -5.0447 -4.5066 -4.5066 -3.7750 -3.7750 -3.2590 -3.2590 10.9503 10.9503 11.5636 11.5636 13.8180 13.8180 13.8223 13.8223 14.3626 14.3626 16.7965 16.7965 k = 0.1299 0.3415-0.0000 ( 1410 PWs) bands (ev): -22.7912 -22.7912 -22.1132 -22.1132 -6.0725 -6.0725 -5.3549 -5.3549 -5.0688 -5.0688 -4.5505 -4.5505 -3.7841 -3.7841 -3.2590 -3.2590 11.0500 11.0500 11.6324 11.6324 13.6921 13.6921 13.6948 13.6948 14.4025 14.4025 16.9859 16.9859 k = 0.1347 0.3542-0.0000 ( 1418 PWs) bands (ev): -22.7799 -22.7799 -22.1092 -22.1092 -6.0686 -6.0686 -5.3780 -5.3780 -5.0880 -5.0880 -4.5934 -4.5934 -3.7917 -3.7917 -3.2591 -3.2591 11.1510 11.1510 11.7035 11.7035 13.5707 13.5707 13.5718 13.5718 14.4430 14.4430 17.1770 17.1770 k = 0.1395 0.3668-0.0000 ( 1426 PWs) bands (ev): -22.7686 -22.7686 -22.1053 -22.1053 -6.0653 -6.0653 -5.4066 -5.4066 -5.1023 -5.1023 -4.6350 -4.6350 -3.7979 -3.7979 -3.2592 -3.2592 11.2533 11.2533 11.7771 11.7771 13.4535 13.4535 13.4539 13.4539 14.4841 14.4841 17.3040 17.3040 k = 0.1443 0.3795-0.0000 ( 1426 PWs) bands (ev): -22.7571 -22.7571 -22.1016 -22.1016 -6.0624 -6.0624 -5.4399 -5.4399 -5.1124 -5.1124 -4.6752 -4.6752 -3.8028 -3.8028 -3.2594 -3.2594 11.3566 11.3566 11.8531 11.8531 13.3398 13.3398 13.3418 13.3418 14.5255 14.5255 17.4205 17.4205 k = 0.1491 0.3921-0.0000 ( 1426 PWs) bands (ev): -22.7457 -22.7457 -22.0981 -22.0981 -6.0601 -6.0601 -5.4766 -5.4766 -5.1194 -5.1194 -4.7140 -4.7140 -3.8063 -3.8063 -3.2597 -3.2597 11.4610 11.4610 11.9314 11.9314 13.2309 13.2309 13.2345 13.2345 14.5673 14.5673 17.5308 17.5308 k = 0.1540 0.4047-0.0000 ( 1418 PWs) bands (ev): -22.7343 -22.7343 -22.0948 -22.0948 -6.0583 -6.0583 -5.5157 -5.5157 -5.1242 -5.1242 -4.7511 -4.7511 -3.8086 -3.8086 -3.2601 -3.2601 11.5663 11.5663 12.0121 12.0121 13.1267 13.1267 13.1319 13.1319 14.6091 14.6091 17.6335 17.6335 k = 0.1588 0.4174-0.0000 ( 1410 PWs) bands (ev): -22.7229 -22.7229 -22.0918 -22.0918 -6.0571 -6.0571 -5.5561 -5.5561 -5.1276 -5.1276 -4.7865 -4.7865 -3.8097 -3.8097 -3.2605 -3.2605 11.6726 11.6726 12.0951 12.0951 13.0274 13.0274 13.0340 13.0340 14.6509 14.6509 17.7272 17.7272 k = 0.1636 0.4300-0.0000 ( 1410 PWs) bands (ev): -22.7116 -22.7116 -22.0890 -22.0890 -6.0565 -6.0565 -5.5972 -5.5972 -5.1301 -5.1301 -4.8200 -4.8200 -3.8096 -3.8096 -3.2610 -3.2610 11.7796 11.7796 12.1804 12.1804 12.9329 12.9329 12.9411 12.9411 14.6925 14.6925 17.8103 17.8103 k = 0.1684 0.4427-0.0000 ( 1418 PWs) bands (ev): -22.7004 -22.7004 -22.0865 -22.0865 -6.0565 -6.0565 -5.6383 -5.6383 -5.1323 -5.1323 -4.8517 -4.8517 -3.8084 -3.8084 -3.2616 -3.2616 11.8874 11.8874 12.2679 12.2679 12.8433 12.8433 12.8529 12.8529 14.7337 14.7337 17.8816 17.8816 k = 0.1732 0.4553-0.0000 ( 1418 PWs) bands (ev): -22.6893 -22.6893 -22.0843 -22.0843 -6.0570 -6.0570 -5.6790 -5.6790 -5.1345 -5.1345 -4.8814 -4.8814 -3.8062 -3.8062 -3.2622 -3.2622 11.9959 11.9959 12.3576 12.3576 12.7588 12.7588 12.7696 12.7696 14.7743 14.7743 17.9390 17.9390 k = 0.1780 0.4680-0.0000 ( 1418 PWs) bands (ev): -22.6784 -22.6784 -22.0825 -22.0825 -6.0581 -6.0581 -5.7189 -5.7189 -5.1369 -5.1369 -4.9091 -4.9091 -3.8030 -3.8030 -3.2628 -3.2628 12.1049 12.1049 12.4493 12.4493 12.6794 12.6794 12.6913 12.6913 14.8142 14.8142 17.9268 17.9268 k = 0.1828 0.4806-0.0000 ( 1410 PWs) bands (ev): -22.6676 -22.6676 -22.0810 -22.0810 -6.0595 -6.0595 -5.7576 -5.7576 -5.1397 -5.1397 -4.9349 -4.9349 -3.7988 -3.7988 -3.2635 -3.2635 12.2141 12.2141 12.5425 12.5425 12.6061 12.6061 12.6178 12.6178 14.8532 14.8532 17.8614 17.8614 k = 0.1876 0.4933-0.0000 ( 1410 PWs) bands (ev): -22.6571 -22.6571 -22.0799 -22.0799 -6.0614 -6.0614 -5.7949 -5.7949 -5.1430 -5.1430 -4.9587 -4.9587 -3.7936 -3.7936 -3.2642 -3.2642 12.3224 12.3224 12.5364 12.5364 12.5493 12.5493 12.6407 12.6407 14.8910 14.8910 17.7991 17.7991 k = 0.1924 0.5059-0.0000 ( 1398 PWs) bands (ev): -22.6469 -22.6469 -22.0792 -22.0792 -6.0636 -6.0636 -5.8307 -5.8307 -5.1470 -5.1470 -4.9805 -4.9805 -3.7876 -3.7876 -3.2649 -3.2649 12.4168 12.4168 12.4857 12.4857 12.4884 12.4884 12.7385 12.7385 14.9275 14.9275 17.7404 17.7404 k = 0.1973 0.5186-0.0000 ( 1398 PWs) bands (ev): -22.6369 -22.6369 -22.0789 -22.0789 -6.0660 -6.0660 -5.8646 -5.8646 -5.1516 -5.1516 -5.0004 -5.0004 -3.7808 -3.7808 -3.2656 -3.2656 12.3991 12.3991 12.4271 12.4271 12.5577 12.5577 12.8386 12.8386 14.9624 14.9624 17.6852 17.6852 k = 0.2021 0.5312-0.0000 ( 1402 PWs) bands (ev): -22.6272 -22.6272 -22.0790 -22.0790 -6.0686 -6.0686 -5.8966 -5.8966 -5.1570 -5.1570 -5.0185 -5.0185 -3.7732 -3.7732 -3.2663 -3.2663 12.3476 12.3476 12.3734 12.3734 12.6660 12.6660 12.9408 12.9408 14.9956 14.9956 17.6336 17.6336 k = 0.2069 0.5439-0.0000 ( 1402 PWs) bands (ev): -22.6178 -22.6178 -22.0796 -22.0796 -6.0713 -6.0713 -5.9265 -5.9265 -5.1633 -5.1633 -5.0348 -5.0347 -3.7649 -3.7649 -3.2669 -3.2669 12.2985 12.2985 12.3247 12.3247 12.7772 12.7772 13.0448 13.0448 15.0268 15.0268 17.5859 17.5859 k = 0.2117 0.5565-0.0000 ( 1406 PWs) bands (ev): -22.6088 -22.6088 -22.0806 -22.0806 -6.0739 -6.0739 -5.9542 -5.9542 -5.1703 -5.1703 -5.0493 -5.0493 -3.7560 -3.7560 -3.2675 -3.2675 12.2538 12.2538 12.2809 12.2809 12.8893 12.8893 13.1508 13.1508 15.0558 15.0558 17.5419 17.5419 k = 0.2165 0.5692-0.0000 ( 1406 PWs) bands (ev): -22.6002 -22.6002 -22.0821 -22.0821 -6.0764 -6.0764 -5.9797 -5.9797 -5.1781 -5.1781 -5.0621 -5.0621 -3.7463 -3.7463 -3.2681 -3.2681 12.2138 12.2138 12.2421 12.2421 13.0017 13.0017 13.2585 13.2585 15.0824 15.0824 17.5019 17.5019 k = 0.2213 0.5818-0.0000 ( 1406 PWs) bands (ev): -22.5919 -22.5919 -22.0840 -22.0840 -6.0787 -6.0787 -6.0027 -6.0027 -5.1866 -5.1866 -5.0733 -5.0733 -3.7362 -3.7362 -3.2686 -3.2686 12.1787 12.1787 12.2082 12.2082 13.1142 13.1142 13.3679 13.3679 15.1065 15.1065 17.4658 17.4658 k = 0.2261 0.5945-0.0000 ( 1406 PWs) bands (ev): -22.5840 -22.5840 -22.0864 -22.0864 -6.0808 -6.0808 -6.0234 -6.0234 -5.1960 -5.1960 -5.0829 -5.0829 -3.7255 -3.7255 -3.2690 -3.2690 12.1485 12.1485 12.1792 12.1792 13.2268 13.2268 13.4790 13.4790 15.1278 15.1278 17.4336 17.4336 k = 0.2309 0.6071-0.0000 ( 1414 PWs) bands (ev): -22.5765 -22.5765 -22.0893 -22.0893 -6.0826 -6.0826 -6.0416 -6.0416 -5.2060 -5.2060 -5.0910 -5.0910 -3.7143 -3.7143 -3.2693 -3.2693 12.1231 12.1231 12.1551 12.1551 13.3391 13.3391 13.5917 13.5917 15.1461 15.1461 17.4054 17.4054 k = 0.2357 0.6198-0.0000 ( 1406 PWs) bands (ev): -22.5695 -22.5695 -22.0927 -22.0927 -6.0840 -6.0840 -6.0572 -6.0572 -5.2167 -5.2167 -5.0976 -5.0976 -3.7028 -3.7028 -3.2696 -3.2696 12.1027 12.1027 12.1359 12.1359 13.4512 13.4512 13.7058 13.7058 15.1614 15.1614 17.3812 17.3812 k = 0.2406 0.6324-0.0000 ( 1406 PWs) bands (ev): -22.5629 -22.5629 -22.0966 -22.0966 -6.0851 -6.0851 -6.0704 -6.0704 -5.2279 -5.2279 -5.1027 -5.1027 -3.6908 -3.6908 -3.2697 -3.2697 12.0871 12.0871 12.1215 12.1215 13.5627 13.5627 13.8213 13.8213 15.1734 15.1734 17.3610 17.3610 k = 0.2454 0.6451-0.0000 ( 1406 PWs) bands (ev): -22.5568 -22.5568 -22.1009 -22.1009 -6.0858 -6.0858 -6.0811 -6.0811 -5.2397 -5.2397 -5.1063 -5.1063 -3.6786 -3.6786 -3.2698 -3.2698 12.0764 12.0765 12.1120 12.1120 13.6736 13.6736 13.9381 13.9381 15.1820 15.1820 17.3448 17.3448 k = 0.2502 0.6577-0.0000 ( 1406 PWs) bands (ev): -22.5511 -22.5511 -22.1058 -22.1058 -6.0893 -6.0893 -6.0861 -6.0861 -5.2518 -5.2518 -5.1084 -5.1084 -3.6661 -3.6661 -3.2697 -3.2697 12.0706 12.0706 12.1072 12.1072 13.7836 13.7836 14.0561 14.0561 15.1871 15.1871 17.3326 17.3326 k = 0.2550 0.6704-0.0000 ( 1414 PWs) bands (ev): -22.5459 -22.5459 -22.1111 -22.1111 -6.0951 -6.0951 -6.0861 -6.0861 -5.2643 -5.2643 -5.1089 -5.1089 -3.6534 -3.6534 -3.2695 -3.2695 12.0695 12.0695 12.1072 12.1072 13.8926 13.8926 14.1752 14.1752 15.1886 15.1886 17.2711 17.2711 k = 0.2598 0.6830-0.0000 ( 1414 PWs) bands (ev): -22.5412 -22.5412 -22.1169 -22.1169 -6.0985 -6.0985 -6.0859 -6.0859 -5.2769 -5.2769 -5.1079 -5.1079 -3.6406 -3.6406 -3.2692 -3.2692 12.0732 12.0732 12.1119 12.1119 14.0002 14.0002 14.2952 14.2952 15.1865 15.1865 17.1794 17.1794 k = 0.2646 0.6957-0.0000 ( 1414 PWs) bands (ev): -22.5369 -22.5369 -22.1232 -22.1232 -6.0997 -6.0997 -6.0855 -6.0855 -5.2896 -5.2896 -5.1052 -5.1052 -3.6277 -3.6277 -3.2688 -3.2688 12.0816 12.0816 12.1212 12.1212 14.1064 14.1064 14.4161 14.4161 15.1808 15.1808 17.0828 17.0828 k = 0.2694 0.7083-0.0000 ( 1414 PWs) bands (ev): -22.5331 -22.5331 -22.1299 -22.1299 -6.0987 -6.0987 -6.0849 -6.0849 -5.3020 -5.3020 -5.1008 -5.1008 -3.6146 -3.6146 -3.2683 -3.2683 12.0947 12.0947 12.1352 12.1352 14.2107 14.2107 14.5377 14.5377 15.1714 15.1714 16.9833 16.9833 k = 0.2742 0.7210-0.0000 ( 1406 PWs) bands (ev): -22.5298 -22.5298 -22.1371 -22.1371 -6.0957 -6.0957 -6.0844 -6.0844 -5.3142 -5.3142 -5.0946 -5.0946 -3.6016 -3.6016 -3.2676 -3.2676 12.1125 12.1125 12.1537 12.1537 14.3129 14.3129 14.6598 14.6598 15.1582 15.1582 16.8816 16.8816 k = 0.2790 0.7336-0.0000 ( 1406 PWs) bands (ev): -22.5270 -22.5270 -22.1447 -22.1447 -6.0910 -6.0910 -6.0839 -6.0839 -5.3257 -5.3257 -5.0865 -5.0865 -3.5886 -3.5886 -3.2668 -3.2668 12.1347 12.1347 12.1767 12.1767 14.4128 14.4128 14.7824 14.7824 15.1415 15.1415 16.7781 16.7781 k = 0.2839 0.7463-0.0000 ( 1406 PWs) bands (ev): -22.5246 -22.5246 -22.1527 -22.1527 -6.0847 -6.0847 -6.0836 -6.0836 -5.3365 -5.3365 -5.0765 -5.0765 -3.5756 -3.5756 -3.2659 -3.2659 12.1615 12.1615 12.2041 12.2041 14.5099 14.5099 14.9052 14.9052 15.1211 15.1211 16.6731 16.6731 k = 0.2887 0.7589-0.0000 ( 1402 PWs) bands (ev): -22.5227 -22.5227 -22.1611 -22.1611 -6.0837 -6.0837 -6.0771 -6.0771 -5.3461 -5.3461 -5.0644 -5.0644 -3.5627 -3.5627 -3.2649 -3.2649 12.1928 12.1928 12.2360 12.2360 14.6040 14.6040 15.0280 15.0280 15.0971 15.0971 16.5669 16.5669 k = 0.2935 0.7716-0.0000 ( 1406 PWs) bands (ev): -22.5212 -22.5212 -22.1699 -22.1699 -6.0841 -6.0841 -6.0685 -6.0685 -5.3543 -5.3543 -5.0502 -5.0502 -3.5499 -3.5499 -3.2638 -3.2638 12.2283 12.2283 12.2721 12.2721 14.6946 14.6946 15.0697 15.0697 15.1508 15.1508 16.4596 16.4596 k = 0.2983 0.7842-0.0000 ( 1406 PWs) bands (ev): -22.5202 -22.5202 -22.1791 -22.1791 -6.0851 -6.0851 -6.0593 -6.0593 -5.3607 -5.3607 -5.0338 -5.0338 -3.5373 -3.5373 -3.2626 -3.2626 12.2682 12.2682 12.3124 12.3124 14.7813 14.7813 15.0388 15.0388 15.2732 15.2732 16.3514 16.3514 k = 0.3031 0.7969-0.0000 ( 1406 PWs) bands (ev): -22.5196 -22.5196 -22.1886 -22.1886 -6.0866 -6.0866 -6.0500 -6.0500 -5.3648 -5.3648 -5.0151 -5.0151 -3.5248 -3.5248 -3.2612 -3.2612 12.3123 12.3123 12.3568 12.3568 14.8638 14.8638 15.0046 15.0046 15.3952 15.3952 16.2424 16.2424 k = 0.3079 0.8095-0.0000 ( 1410 PWs) bands (ev): -22.5193 -22.5193 -22.1985 -22.1985 -6.0888 -6.0888 -6.0409 -6.0409 -5.3662 -5.3662 -4.9943 -4.9943 -3.5125 -3.5125 -3.2597 -3.2597 12.3605 12.3605 12.4053 12.4053 14.9414 14.9414 14.9671 14.9671 15.5163 15.5163 16.1331 16.1331 k = 0.3127 0.8221-0.0000 ( 1410 PWs) bands (ev): -22.5195 -22.5195 -22.2086 -22.2086 -6.0918 -6.0918 -6.0326 -6.0326 -5.3646 -5.3646 -4.9712 -4.9712 -3.5004 -3.5004 -3.2582 -3.2582 12.4127 12.4127 12.4577 12.4577 14.9265 14.9265 15.0137 15.0137 15.6364 15.6364 16.0236 16.0236 k = 0.3175 0.8348-0.0000 ( 1410 PWs) bands (ev): -22.5201 -22.5201 -22.2191 -22.2191 -6.0955 -6.0955 -6.0254 -6.0254 -5.3594 -5.3594 -4.9458 -4.9458 -3.4885 -3.4885 -3.2565 -3.2565 12.4688 12.4688 12.5140 12.5140 14.8827 14.8827 15.0798 15.0798 15.7544 15.7544 15.9153 15.9153 k = 0.3223 0.8474-0.0000 ( 1418 PWs) bands (ev): -22.5210 -22.5210 -22.2297 -22.2297 -6.1000 -6.1000 -6.0199 -6.0199 -5.3503 -5.3503 -4.9183 -4.9183 -3.4768 -3.4768 -3.2547 -3.2547 12.5287 12.5287 12.5740 12.5740 14.8359 14.8359 15.1387 15.1387 15.8000 15.8000 15.8791 15.8791 k = 0.3223 0.8474-0.0000 ( 1418 PWs) bands (ev): -22.5210 -22.5210 -22.2297 -22.2297 -6.1000 -6.1000 -6.0199 -6.0199 -5.3503 -5.3503 -4.9183 -4.9183 -3.4768 -3.4768 -3.2547 -3.2547 12.5287 12.5287 12.5740 12.5740 14.8359 14.8359 15.1387 15.1387 15.8000 15.8000 15.8791 15.8791 k = 0.3206 0.8429 0.0127 ( 1414 PWs) bands (ev): -22.5205 -22.5205 -22.2260 -22.2260 -6.0987 -6.0987 -6.0209 -6.0209 -5.3531 -5.3531 -4.9285 -4.9285 -3.4816 -3.4816 -3.2559 -3.2559 12.5051 12.5051 12.5502 12.5502 14.8541 14.8541 15.1193 15.1193 15.8203 15.8203 15.8579 15.8579 k = 0.3189 0.8384 0.0255 ( 1414 PWs) bands (ev): -22.5199 -22.5199 -22.2225 -22.2225 -6.0984 -6.0984 -6.0203 -6.0203 -5.3537 -5.3537 -4.9385 -4.9385 -3.4878 -3.4878 -3.2583 -3.2583 12.4786 12.4786 12.5232 12.5232 14.8740 14.8740 15.1003 15.1003 15.7999 15.7999 15.8814 15.8814 k = 0.3172 0.8339 0.0382 ( 1414 PWs) bands (ev): -22.5192 -22.5192 -22.2194 -22.2194 -6.0995 -6.0995 -6.0181 -6.0181 -5.3521 -5.3521 -4.9485 -4.9484 -3.4953 -3.4953 -3.2617 -3.2617 12.4493 12.4493 12.4933 12.4933 14.8956 14.8956 15.0815 15.0815 15.7771 15.7771 15.9110 15.9110 k = 0.3154 0.8293 0.0509 ( 1418 PWs) bands (ev): -22.5183 -22.5183 -22.2165 -22.2165 -6.1019 -6.1019 -6.0143 -6.0143 -5.3482 -5.3482 -4.9581 -4.9581 -3.5040 -3.5040 -3.2663 -3.2663 12.4174 12.4174 12.4607 12.4607 14.9187 14.9187 15.0620 15.0620 15.7599 15.7599 15.9387 15.9387 k = 0.3137 0.8248 0.0637 ( 1418 PWs) bands (ev): -22.5172 -22.5172 -22.2139 -22.2139 -6.1056 -6.1055 -6.0090 -6.0090 -5.3421 -5.3421 -4.9673 -4.9673 -3.5140 -3.5140 -3.2719 -3.2719 12.3833 12.3833 12.4259 12.4259 14.9427 14.9427 15.0409 15.0409 15.7492 15.7492 15.9650 15.9650 k = 0.3120 0.8203 0.0764 ( 1418 PWs) bands (ev): -22.5160 -22.5160 -22.2115 -22.2115 -6.1103 -6.1103 -6.0025 -6.0025 -5.3340 -5.3340 -4.9760 -4.9760 -3.5252 -3.5252 -3.2786 -3.2786 12.3473 12.3473 12.3893 12.3893 14.9656 14.9656 15.0186 15.0186 15.7447 15.7447 15.9915 15.9915 k = 0.3103 0.8157 0.0892 ( 1416 PWs) bands (ev): -22.5146 -22.5146 -22.2095 -22.2095 -6.1159 -6.1159 -5.9951 -5.9951 -5.3240 -5.3240 -4.9841 -4.9841 -3.5375 -3.5375 -3.2863 -3.2863 12.3099 12.3099 12.3513 12.3513 14.9699 14.9699 15.0107 15.0107 15.7462 15.7462 16.0201 16.0201 k = 0.3086 0.8112 0.1019 ( 1418 PWs) bands (ev): -22.5130 -22.5130 -22.2078 -22.2078 -6.1221 -6.1221 -5.9871 -5.9871 -5.3123 -5.3123 -4.9913 -4.9913 -3.5510 -3.5510 -3.2951 -3.2951 12.2715 12.2715 12.3122 12.3122 14.9398 14.9398 15.0315 15.0315 15.7532 15.7532 16.0526 16.0526 k = 0.3068 0.8067 0.1146 ( 1418 PWs) bands (ev): -22.5113 -22.5113 -22.2064 -22.2064 -6.1288 -6.1287 -5.9787 -5.9787 -5.2991 -5.2991 -4.9974 -4.9974 -3.5656 -3.5656 -3.3049 -3.3049 12.2326 12.2326 12.2726 12.2726 14.8973 14.8973 15.0576 15.0576 15.7646 15.7646 16.0906 16.0906 k = 0.3051 0.8022 0.1274 ( 1416 PWs) bands (ev): -22.5093 -22.5093 -22.2054 -22.2054 -6.1357 -6.1357 -5.9702 -5.9701 -5.2847 -5.2847 -5.0022 -5.0022 -3.5813 -3.5813 -3.3157 -3.3157 12.1937 12.1937 12.2327 12.2327 14.8466 14.8466 15.0840 15.0840 15.7795 15.7795 16.1350 16.1350 k = 0.3034 0.7976 0.1401 ( 1414 PWs) bands (ev): -22.5072 -22.5072 -22.2046 -22.2046 -6.1428 -6.1428 -5.9616 -5.9616 -5.2693 -5.2693 -5.0053 -5.0053 -3.5980 -3.5979 -3.3274 -3.3274 12.1553 12.1553 12.1930 12.1930 14.7886 14.7886 15.1090 15.1090 15.7962 15.7962 16.1863 16.1863 k = 0.3017 0.7931 0.1528 ( 1414 PWs) bands (ev): -22.5048 -22.5048 -22.2041 -22.2041 -6.1500 -6.1499 -5.9534 -5.9533 -5.2533 -5.2533 -5.0064 -5.0064 -3.6156 -3.6156 -3.3401 -3.3401 12.1179 12.1179 12.1539 12.1539 14.7240 14.7240 15.1316 15.1316 15.8125 15.8125 16.2444 16.2444 k = 0.2999 0.7886 0.1656 ( 1418 PWs) bands (ev): -22.5023 -22.5023 -22.2040 -22.2040 -6.1570 -6.1570 -5.9455 -5.9455 -5.2370 -5.2370 -5.0052 -5.0052 -3.6342 -3.6342 -3.3538 -3.3538 12.0818 12.0818 12.1156 12.1156 14.6534 14.6534 15.1500 15.1500 15.8260 15.8260 16.3091 16.3091 k = 0.2982 0.7841 0.1783 ( 1420 PWs) bands (ev): -22.4995 -22.4995 -22.2042 -22.2042 -6.1639 -6.1639 -5.9383 -5.9382 -5.2208 -5.2208 -5.0012 -5.0012 -3.6538 -3.6538 -3.3683 -3.3683 12.0476 12.0476 12.0785 12.0785 14.5777 14.5777 15.1625 15.1625 15.8344 15.8344 16.3799 16.3799 k = 0.2965 0.7795 0.1911 ( 1420 PWs) bands (ev): -22.4965 -22.4965 -22.2048 -22.2048 -6.1706 -6.1706 -5.9318 -5.9318 -5.2051 -5.2051 -4.9941 -4.9941 -3.6741 -3.6741 -3.3837 -3.3837 12.0155 12.0155 12.0430 12.0430 14.4976 14.4976 15.1665 15.1665 15.8366 15.8366 16.4561 16.4561 k = 0.2948 0.7750 0.2038 ( 1422 PWs) bands (ev): -22.4933 -22.4933 -22.2056 -22.2056 -6.1770 -6.1769 -5.9263 -5.9263 -5.1899 -5.1899 -4.9837 -4.9837 -3.6954 -3.6953 -3.3999 -3.3999 11.9856 11.9856 12.0095 12.0095 14.4139 14.4139 15.1589 15.1589 15.8338 15.8338 16.5369 16.5369 k = 0.2931 0.7705 0.2165 ( 1422 PWs) bands (ev): -22.4899 -22.4899 -22.2068 -22.2068 -6.1829 -6.1829 -5.9219 -5.9218 -5.1755 -5.1755 -4.9699 -4.9699 -3.7173 -3.7173 -3.4170 -3.4170 11.9582 11.9582 11.9784 11.9784 14.3272 14.3272 15.1366 15.1366 15.8295 15.8295 16.6212 16.6212 k = 0.2913 0.7659 0.2293 ( 1420 PWs) bands (ev): -22.4862 -22.4862 -22.2083 -22.2083 -6.1884 -6.1884 -5.9187 -5.9186 -5.1617 -5.1617 -4.9529 -4.9529 -3.7400 -3.7400 -3.4348 -3.4348 11.9328 11.9328 11.9507 11.9507 14.2382 14.2382 15.0974 15.0974 15.8285 15.8285 16.7078 16.7078 k = 0.2896 0.7614 0.2420 ( 1418 PWs) bands (ev): -22.4824 -22.4824 -22.2102 -22.2102 -6.1935 -6.1935 -5.9168 -5.9168 -5.1482 -5.1482 -4.9329 -4.9328 -3.7634 -3.7634 -3.4534 -3.4534 11.9090 11.9090 11.9273 11.9273 14.1474 14.1474 15.0408 15.0408 15.8344 15.8344 16.7952 16.7952 k = 0.2879 0.7569 0.2547 ( 1422 PWs) bands (ev): -22.4783 -22.4783 -22.2123 -22.2123 -6.1980 -6.1980 -5.9163 -5.9163 -5.1347 -5.1347 -4.9102 -4.9102 -3.7873 -3.7873 -3.4728 -3.4728 11.8865 11.8865 11.9090 11.9090 14.0553 14.0553 14.9686 14.9686 15.8489 15.8489 16.8824 16.8824 k = 0.2862 0.7524 0.2675 ( 1426 PWs) bands (ev): -22.4739 -22.4739 -22.2148 -22.2148 -6.2019 -6.2019 -5.9172 -5.9172 -5.1209 -5.1209 -4.8854 -4.8854 -3.8119 -3.8118 -3.4928 -3.4928 11.8657 11.8657 11.8955 11.8955 13.9623 13.9623 14.8834 14.8834 15.8716 15.8716 16.9710 16.9710 k = 0.2844 0.7478 0.2802 ( 1424 PWs) bands (ev): -22.4694 -22.4694 -22.2176 -22.2176 -6.2053 -6.2053 -5.9195 -5.9195 -5.1065 -5.1065 -4.8588 -4.8588 -3.8368 -3.8368 -3.5135 -3.5135 11.8473 11.8473 11.8866 11.8866 13.8688 13.8688 14.7883 14.7883 15.9018 15.9018 17.0621 17.0622 k = 0.2827 0.7433 0.2929 ( 1424 PWs) bands (ev): -22.4646 -22.4646 -22.2208 -22.2208 -6.2081 -6.2081 -5.9232 -5.9232 -5.0914 -5.0914 -4.8308 -4.8308 -3.8622 -3.8622 -3.5348 -3.5348 11.8318 11.8318 11.8822 11.8822 13.7751 13.7751 14.6860 14.6860 15.9381 15.9381 17.1552 17.1552 k = 0.2810 0.7388 0.3057 ( 1424 PWs) bands (ev): -22.4596 -22.4596 -22.2242 -22.2242 -6.2102 -6.2102 -5.9283 -5.9282 -5.0754 -5.0754 -4.8018 -4.8017 -3.8879 -3.8879 -3.5567 -3.5567 11.8194 11.8194 11.8822 11.8822 13.6816 13.6816 14.5787 14.5787 15.9795 15.9795 17.2471 17.2471 k = 0.2793 0.7342 0.3184 ( 1425 PWs) bands (ev): -22.4544 -22.4544 -22.2280 -22.2280 -6.2117 -6.2117 -5.9345 -5.9345 -5.0584 -5.0584 -4.7719 -4.7719 -3.9139 -3.9138 -3.5791 -3.5791 11.8102 11.8102 11.8868 11.8868 13.5886 13.5886 14.4682 14.4682 16.0252 16.0252 17.3340 17.3340 k = 0.2776 0.7297 0.3312 ( 1423 PWs) bands (ev): -22.4489 -22.4489 -22.2321 -22.2321 -6.2126 -6.2126 -5.9418 -5.9418 -5.0405 -5.0405 -4.7415 -4.7415 -3.9399 -3.9399 -3.6020 -3.6020 11.8044 11.8044 11.8959 11.8959 13.4962 13.4962 14.3556 14.3556 16.0746 16.0746 17.4124 17.4124 k = 0.2758 0.7252 0.3439 ( 1425 PWs) bands (ev): -22.4432 -22.4432 -22.2365 -22.2365 -6.2128 -6.2128 -5.9501 -5.9501 -5.0218 -5.0218 -4.7109 -4.7108 -3.9659 -3.9659 -3.6253 -3.6253 11.8022 11.8022 11.9096 11.9096 13.4048 13.4048 14.2422 14.2422 16.1271 16.1271 17.4798 17.4798 k = 0.2741 0.7207 0.3566 ( 1425 PWs) bands (ev): -22.4373 -22.4373 -22.2412 -22.2412 -6.2124 -6.2124 -5.9593 -5.9592 -5.0023 -5.0023 -4.6801 -4.6801 -3.9917 -3.9917 -3.6490 -3.6490 11.8035 11.8035 11.9279 11.9279 13.3146 13.3146 14.1285 14.1285 16.1824 16.1824 17.5343 17.5343 k = 0.2724 0.7161 0.3694 ( 1423 PWs) bands (ev): -22.4312 -22.4312 -22.2462 -22.2462 -6.2114 -6.2114 -5.9691 -5.9691 -4.9822 -4.9822 -4.6496 -4.6496 -4.0171 -4.0171 -3.6730 -3.6730 11.8085 11.8085 11.9509 11.9509 13.2257 13.2257 14.0153 14.0153 16.2401 16.2401 17.5746 17.5746 k = 0.2707 0.7116 0.3821 ( 1419 PWs) bands (ev): -22.4249 -22.4249 -22.2515 -22.2515 -6.2097 -6.2097 -5.9795 -5.9794 -4.9616 -4.9616 -4.6196 -4.6196 -4.0420 -4.0420 -3.6971 -3.6971 11.8172 11.8172 11.9785 11.9785 13.1385 13.1385 13.9030 13.9030 16.3002 16.3002 17.6001 17.6001 k = 0.2689 0.7071 0.3948 ( 1421 PWs) bands (ev): -22.4184 -22.4184 -22.2570 -22.2570 -6.2075 -6.2075 -5.9902 -5.9902 -4.9408 -4.9408 -4.5903 -4.5903 -4.0660 -4.0660 -3.7214 -3.7214 11.8296 11.8296 12.0106 12.0106 13.0532 13.0532 13.7921 13.7921 16.3622 16.3622 17.6112 17.6112 k = 0.2672 0.7025 0.4076 ( 1420 PWs) bands (ev): -22.4117 -22.4117 -22.2629 -22.2629 -6.2048 -6.2048 -6.0012 -6.0011 -4.9200 -4.9200 -4.5621 -4.5621 -4.0888 -4.0888 -3.7456 -3.7456 11.8457 11.8457 12.0472 12.0472 12.9700 12.9700 13.6829 13.6829 16.4262 16.4262 17.6091 17.6091 k = 0.2655 0.6980 0.4203 ( 1416 PWs) bands (ev): -22.4048 -22.4048 -22.2690 -22.2690 -6.2016 -6.2016 -6.0122 -6.0121 -4.8994 -4.8994 -4.5355 -4.5354 -4.1100 -4.1100 -3.7696 -3.7696 11.8656 11.8656 12.0881 12.0881 12.8893 12.8893 13.5756 13.5756 16.4920 16.4920 17.5953 17.5953 k = 0.2638 0.6935 0.4331 ( 1418 PWs) bands (ev): -22.3977 -22.3977 -22.2754 -22.2754 -6.1980 -6.1979 -6.0231 -6.0230 -4.8793 -4.8793 -4.5108 -4.5108 -4.1291 -4.1291 -3.7932 -3.7932 11.8892 11.8892 12.1329 12.1329 12.8115 12.8115 13.4705 13.4705 16.5593 16.5593 17.5714 17.5714 k = 0.2621 0.6890 0.4458 ( 1419 PWs) bands (ev): -22.3904 -22.3904 -22.2821 -22.2821 -6.1940 -6.1940 -6.0337 -6.0336 -4.8601 -4.8601 -4.4888 -4.4888 -4.1455 -4.1455 -3.8161 -3.8161 11.9166 11.9166 12.1810 12.1810 12.7374 12.7374 13.3678 13.3678 16.6281 16.6281 17.5388 17.5388 k = 0.2603 0.6844 0.4585 ( 1417 PWs) bands (ev): -22.3829 -22.3829 -22.2890 -22.2890 -6.1898 -6.1898 -6.0438 -6.0437 -4.8420 -4.8420 -4.4699 -4.4699 -4.1587 -4.1587 -3.8381 -3.8381 11.9475 11.9475 12.2309 12.2309 12.6685 12.6685 13.2677 13.2677 16.6983 16.6983 17.4988 17.4988 k = 0.2586 0.6799 0.4713 ( 1417 PWs) bands (ev): -22.3753 -22.3753 -22.2961 -22.2961 -6.1856 -6.1855 -6.0532 -6.0531 -4.8256 -4.8255 -4.4548 -4.4548 -4.1682 -4.1682 -3.8586 -3.8586 11.9821 11.9821 12.2792 12.2792 12.6082 12.6082 13.1704 13.1704 16.7697 16.7697 17.4522 17.4522 k = 0.2569 0.6754 0.4840 ( 1419 PWs) bands (ev): -22.3676 -22.3676 -22.3035 -22.3035 -6.1815 -6.1814 -6.0616 -6.0615 -4.8112 -4.8112 -4.4436 -4.4436 -4.1739 -4.1738 -3.8772 -3.8771 12.0202 12.0202 12.3171 12.3171 12.5656 12.5656 13.0759 13.0759 16.8421 16.8421 17.3998 17.3998 k = 0.2552 0.6708 0.4967 ( 1413 PWs) bands (ev): -22.3597 -22.3597 -22.3111 -22.3111 -6.1778 -6.1778 -6.0686 -6.0686 -4.7993 -4.7993 -4.4363 -4.4362 -4.1762 -4.1762 -3.8930 -3.8930 12.0618 12.0618 12.3267 12.3267 12.5584 12.5584 12.9845 12.9845 16.9154 16.9154 17.3421 17.3421 k = 0.2534 0.6663 0.5095 ( 1412 PWs) bands (ev): -22.3516 -22.3516 -22.3189 -22.3189 -6.1748 -6.1748 -6.0741 -6.0740 -4.7904 -4.7904 -4.4320 -4.4320 -4.1763 -4.1762 -3.9053 -3.9053 12.1066 12.1066 12.3009 12.3009 12.5938 12.5938 12.8963 12.8963 16.9890 16.9890 17.2795 17.2795 k = 0.2517 0.6618 0.5222 ( 1412 PWs) bands (ev): -22.3435 -22.3435 -22.3270 -22.3270 -6.1729 -6.1729 -6.0775 -6.0775 -4.7850 -4.7849 -4.4301 -4.4300 -4.1754 -4.1754 -3.9132 -3.9132 12.1545 12.1545 12.2562 12.2562 12.6552 12.6552 12.8114 12.8114 17.0623 17.0623 17.2130 17.2130 k = 0.2500 0.6573 0.5349 ( 1412 PWs) bands (ev): -22.3353 -22.3353 -22.3351 -22.3351 -6.1722 -6.1722 -6.0787 -6.0786 -4.7831 -4.7831 -4.4295 -4.4295 -4.1749 -4.1749 -3.9159 -3.9159 12.2042 12.2042 12.2062 12.2062 12.7272 12.7272 12.7330 12.7330 17.1207 17.1208 17.1569 17.1569 k = 0.2500 0.6573 0.5349 ( 1412 PWs) bands (ev): -22.3353 -22.3353 -22.3351 -22.3351 -6.1722 -6.1722 -6.0787 -6.0786 -4.7831 -4.7831 -4.4295 -4.4295 -4.1749 -4.1749 -3.9159 -3.9159 12.2042 12.2042 12.2062 12.2062 12.7272 12.7272 12.7330 12.7330 17.1207 17.1208 17.1569 17.1569 k = 0.2411 0.6607 0.5254 ( 1412 PWs) bands (ev): -22.3440 -22.3440 -22.3264 -22.3264 -6.1731 -6.1731 -6.0775 -6.0775 -4.7852 -4.7851 -4.4301 -4.4301 -4.1755 -4.1755 -3.9128 -3.9128 12.1505 12.1505 12.2607 12.2607 12.6488 12.6488 12.8173 12.8173 17.0570 17.0570 17.2182 17.2182 k = 0.2321 0.6641 0.5158 ( 1414 PWs) bands (ev): -22.3528 -22.3528 -22.3175 -22.3175 -6.1756 -6.1756 -6.0743 -6.0743 -4.7913 -4.7913 -4.4317 -4.4317 -4.1771 -4.1771 -3.9038 -3.9038 12.0968 12.0968 12.3167 12.3167 12.5734 12.5734 12.9103 12.9103 16.9764 16.9764 17.2917 17.2917 k = 0.2232 0.6674 0.5063 ( 1416 PWs) bands (ev): -22.3615 -22.3615 -22.3087 -22.3087 -6.1793 -6.1793 -6.0694 -6.0694 -4.8013 -4.8013 -4.4344 -4.4343 -4.1792 -4.1792 -3.8895 -3.8895 12.0444 12.0444 12.3730 12.3730 12.5037 12.5037 13.0092 13.0092 16.8936 16.8936 17.3623 17.3623 k = 0.2143 0.6708 0.4967 ( 1414 PWs) bands (ev): -22.3700 -22.3700 -22.3000 -22.3000 -6.1838 -6.1838 -6.0633 -6.0633 -4.8149 -4.8149 -4.4379 -4.4379 -4.1814 -4.1814 -3.8709 -3.8709 11.9938 11.9938 12.4272 12.4272 12.4417 12.4417 13.1139 13.1139 16.8096 16.8096 17.4290 17.4290 k = 0.2054 0.6742 0.4872 ( 1410 PWs) bands (ev): -22.3785 -22.3785 -22.2914 -22.2914 -6.1887 -6.1886 -6.0564 -6.0564 -4.8317 -4.8316 -4.4423 -4.4423 -4.1831 -4.1830 -3.8490 -3.8490 11.9452 11.9452 12.3792 12.3792 12.4872 12.4872 13.2243 13.2243 16.7250 16.7250 17.4911 17.4911 k = 0.1964 0.6776 0.4776 ( 1418 PWs) bands (ev): -22.3868 -22.3868 -22.2829 -22.2829 -6.1936 -6.1935 -6.0491 -6.0491 -4.8511 -4.8511 -4.4473 -4.4472 -4.1840 -4.1840 -3.8245 -3.8245 11.8990 11.8990 12.3245 12.3245 12.5441 12.5441 13.3400 13.3400 16.6399 16.6399 17.5479 17.5479 k = 0.1875 0.6810 0.4681 ( 1414 PWs) bands (ev): -22.3949 -22.3949 -22.2745 -22.2745 -6.1982 -6.1982 -6.0418 -6.0417 -4.8728 -4.8728 -4.4527 -4.4527 -4.1841 -4.1841 -3.7984 -3.7983 11.8557 11.8557 12.2742 12.2742 12.6011 12.6011 13.4610 13.4610 16.5549 16.5549 17.5987 17.5987 k = 0.1786 0.6844 0.4585 ( 1406 PWs) bands (ev): -22.4028 -22.4028 -22.2663 -22.2663 -6.2025 -6.2025 -6.0346 -6.0345 -4.8963 -4.8963 -4.4585 -4.4585 -4.1833 -4.1833 -3.7711 -3.7711 11.8155 11.8155 12.2278 12.2278 12.6581 12.6581 13.5869 13.5869 16.4701 16.4701 17.6429 17.6429 k = 0.1696 0.6878 0.4490 ( 1408 PWs) bands (ev): -22.4105 -22.4105 -22.2583 -22.2583 -6.2063 -6.2063 -6.0277 -6.0277 -4.9209 -4.9209 -4.4646 -4.4645 -4.1816 -4.1816 -3.7432 -3.7432 11.7787 11.7787 12.1850 12.1850 12.7148 12.7148 13.7175 13.7175 16.3857 16.3857 17.6798 17.6798 k = 0.1607 0.6912 0.4394 ( 1412 PWs) bands (ev): -22.4180 -22.4180 -22.2505 -22.2505 -6.2094 -6.2094 -6.0215 -6.0215 -4.9463 -4.9463 -4.4707 -4.4707 -4.1793 -4.1793 -3.7151 -3.7151 11.7455 11.7455 12.1457 12.1457 12.7713 12.7713 13.8526 13.8526 16.3021 16.3021 17.7086 17.7086 k = 0.1518 0.6946 0.4299 ( 1414 PWs) bands (ev): -22.4251 -22.4251 -22.2430 -22.2430 -6.2117 -6.2117 -6.0160 -6.0160 -4.9719 -4.9719 -4.4768 -4.4768 -4.1763 -4.1763 -3.6873 -3.6873 11.7159 11.7159 12.1096 12.1096 12.8272 12.8272 13.9918 13.9918 16.2194 16.2194 17.7274 17.7274 k = 0.1429 0.6980 0.4203 ( 1414 PWs) bands (ev): -22.4320 -22.4320 -22.2358 -22.2358 -6.2133 -6.2133 -6.0114 -6.0114 -4.9975 -4.9975 -4.4828 -4.4828 -4.1729 -4.1729 -3.6599 -3.6599 11.6902 11.6902 12.0764 12.0764 12.8824 12.8824 14.1349 14.1349 16.1377 16.1377 17.6743 17.6743 k = 0.1339 0.7014 0.4108 ( 1416 PWs) bands (ev): -22.4386 -22.4386 -22.2289 -22.2289 -6.2140 -6.2140 -6.0078 -6.0078 -5.0225 -5.0225 -4.4887 -4.4887 -4.1692 -4.1692 -3.6333 -3.6333 11.6681 11.6681 12.0459 12.0459 12.9367 12.9367 14.2816 14.2816 16.0572 16.0572 17.5296 17.5296 k = 0.1250 0.7048 0.4012 ( 1412 PWs) bands (ev): -22.4448 -22.4448 -22.2222 -22.2222 -6.2138 -6.2138 -6.0053 -6.0053 -5.0467 -5.0467 -4.4944 -4.4944 -4.1652 -4.1652 -3.6077 -3.6077 11.6498 11.6498 12.0180 12.0180 12.9898 12.9898 14.4316 14.4316 15.9782 15.9782 17.3889 17.3889 k = 0.1161 0.7082 0.3917 ( 1412 PWs) bands (ev): -22.4507 -22.4507 -22.2160 -22.2160 -6.2127 -6.2127 -6.0041 -6.0040 -5.0699 -5.0699 -4.4998 -4.4998 -4.1612 -4.1612 -3.5832 -3.5832 11.6350 11.6350 11.9925 11.9925 13.0415 13.0415 14.5846 14.5846 15.9009 15.9009 17.2560 17.2560 k = 0.1071 0.7116 0.3821 ( 1418 PWs) bands (ev): -22.4562 -22.4562 -22.2101 -22.2101 -6.2108 -6.2107 -6.0041 -6.0040 -5.0917 -5.0917 -4.5050 -4.5050 -4.1571 -4.1571 -3.5601 -3.5601 11.6234 11.6234 11.9693 11.9693 13.0915 13.0915 14.7402 14.7402 15.8256 15.8256 17.1318 17.1318 k = 0.0982 0.7150 0.3726 ( 1420 PWs) bands (ev): -22.4613 -22.4613 -22.2046 -22.2046 -6.2079 -6.2079 -6.0054 -6.0053 -5.1120 -5.1120 -4.5098 -4.5098 -4.1530 -4.1530 -3.5383 -3.5383 11.6150 11.6150 11.9483 11.9483 13.1394 13.1394 14.8981 14.8981 15.7526 15.7526 17.0168 17.0168 k = 0.0893 0.7184 0.3630 ( 1418 PWs) bands (ev): -22.4660 -22.4660 -22.1995 -22.1995 -6.2042 -6.2041 -6.0079 -6.0079 -5.1306 -5.1306 -4.5144 -4.5144 -4.1491 -4.1491 -3.5182 -3.5182 11.6093 11.6093 11.9293 11.9293 13.1849 13.1849 15.0578 15.0578 15.6824 15.6824 16.9116 16.9116 k = 0.0804 0.7218 0.3534 ( 1416 PWs) bands (ev): -22.4704 -22.4704 -22.1949 -22.1949 -6.1996 -6.1996 -6.0117 -6.0117 -5.1474 -5.1474 -4.5185 -4.5185 -4.1454 -4.1454 -3.4997 -3.4997 11.6061 11.6061 11.9124 11.9124 13.2277 13.2277 15.2188 15.2188 15.6158 15.6158 16.8165 16.8165 k = 0.0714 0.7252 0.3439 ( 1416 PWs) bands (ev): -22.4743 -22.4743 -22.1907 -22.1907 -6.1943 -6.1943 -6.0166 -6.0165 -5.1625 -5.1625 -4.5223 -4.5223 -4.1420 -4.1420 -3.4830 -3.4830 11.6048 11.6048 11.8975 11.8975 13.2673 13.2673 15.3803 15.3803 15.5536 15.5536 16.7317 16.7317 k = 0.0625 0.7286 0.3343 ( 1416 PWs) bands (ev): -22.4777 -22.4777 -22.1869 -22.1869 -6.1884 -6.1884 -6.0224 -6.0224 -5.1756 -5.1756 -4.5256 -4.5256 -4.1388 -4.1388 -3.4681 -3.4681 11.6051 11.6051 11.8843 11.8843 13.3034 13.3034 15.4896 15.4896 15.5489 15.5489 16.6572 16.6572 k = 0.0536 0.7320 0.3248 ( 1422 PWs) bands (ev): -22.4808 -22.4808 -22.1836 -22.1836 -6.1820 -6.1820 -6.0289 -6.0289 -5.1869 -5.1869 -4.5286 -4.5286 -4.1360 -4.1360 -3.4551 -3.4551 11.6066 11.6066 11.8731 11.8731 13.3356 13.3356 15.4405 15.4405 15.7079 15.7079 16.5930 16.5930 k = 0.0446 0.7354 0.3152 ( 1422 PWs) bands (ev): -22.4833 -22.4833 -22.1808 -22.1808 -6.1753 -6.1753 -6.0359 -6.0359 -5.1963 -5.1963 -4.5311 -4.5311 -4.1336 -4.1336 -3.4440 -3.4440 11.6087 11.6087 11.8635 11.8635 13.3635 13.3635 15.3947 15.3947 15.8693 15.8693 16.5391 16.5391 k = 0.0357 0.7388 0.3057 ( 1426 PWs) bands (ev): -22.4855 -22.4855 -22.1785 -22.1785 -6.1686 -6.1686 -6.0430 -6.0430 -5.2040 -5.2040 -4.5332 -4.5332 -4.1316 -4.1315 -3.4348 -3.4348 11.6112 11.6112 11.8558 11.8558 13.3869 13.3869 15.3557 15.3557 16.0295 16.0295 16.4953 16.4953 k = 0.0268 0.7422 0.2961 ( 1426 PWs) bands (ev): -22.4871 -22.4871 -22.1767 -22.1767 -6.1624 -6.1624 -6.0496 -6.0496 -5.2099 -5.2098 -4.5348 -4.5348 -4.1299 -4.1299 -3.4277 -3.4277 11.6136 11.6136 11.8498 11.8498 13.4054 13.4054 15.3245 15.3245 16.1874 16.1874 16.4614 16.4614 k = 0.0179 0.7456 0.2866 ( 1426 PWs) bands (ev): -22.4883 -22.4883 -22.1755 -22.1755 -6.1571 -6.1571 -6.0552 -6.0552 -5.2140 -5.2140 -4.5360 -4.5360 -4.1288 -4.1288 -3.4226 -3.4226 11.6155 11.6155 11.8455 11.8455 13.4188 13.4188 15.3017 15.3017 16.3418 16.3418 16.4377 16.4377 k = 0.0089 0.7490 0.2770 ( 1434 PWs) bands (ev): -22.4890 -22.4890 -22.1747 -22.1747 -6.1536 -6.1535 -6.0590 -6.0590 -5.2165 -5.2165 -4.5367 -4.5367 -4.1281 -4.1281 -3.4195 -3.4195 11.6168 11.6168 11.8429 11.8429 13.4269 13.4269 15.2879 15.2879 16.4220 16.4220 16.4929 16.4929 k = 0.0000 0.7524 0.2675 ( 1436 PWs) bands (ev): -22.4893 -22.4893 -22.1744 -22.1744 -6.1523 -6.1523 -6.0604 -6.0604 -5.2173 -5.2173 -4.5369 -4.5369 -4.1278 -4.1278 -3.4185 -3.4185 11.6173 11.6173 11.8420 11.8420 13.4296 13.4296 15.2832 15.2832 16.4176 16.4176 16.6159 16.6159 k = 0.0000 0.7524 0.2675 ( 1436 PWs) bands (ev): -22.4893 -22.4893 -22.1744 -22.1744 -6.1523 -6.1523 -6.0604 -6.0604 -5.2173 -5.2173 -4.5369 -4.5369 -4.1278 -4.1278 -3.4185 -3.4185 11.6173 11.6173 11.8420 11.8420 13.4296 13.4296 15.2832 15.2832 16.4176 16.4176 16.6159 16.6159 k =-0.0101 0.7494 0.2758 ( 1430 PWs) bands (ev): -22.4893 -22.4893 -22.1744 -22.1744 -6.1527 -6.1527 -6.0596 -6.0596 -5.2173 -5.2173 -4.5415 -4.5415 -4.1236 -4.1236 -3.4182 -3.4182 11.6187 11.6187 11.8420 11.8420 13.4342 13.4342 15.2836 15.2836 16.4052 16.4052 16.6142 16.6142 k =-0.0201 0.7464 0.2842 ( 1424 PWs) bands (ev): -22.4895 -22.4895 -22.1745 -22.1745 -6.1541 -6.1541 -6.0572 -6.0571 -5.2172 -5.2172 -4.5547 -4.5547 -4.1114 -4.1114 -3.4173 -3.4173 11.6230 11.6230 11.8419 11.8419 13.4476 13.4476 15.2847 15.2847 16.3730 16.3730 16.6093 16.6093 k =-0.0302 0.7434 0.2925 ( 1422 PWs) bands (ev): -22.4899 -22.4899 -22.1745 -22.1745 -6.1561 -6.1561 -6.0534 -6.0534 -5.2171 -5.2171 -4.5750 -4.5750 -4.0927 -4.0927 -3.4158 -3.4158 11.6301 11.6301 11.8418 11.8418 13.4698 13.4698 15.2865 15.2865 16.3295 16.3295 16.6012 16.6012 k =-0.0403 0.7405 0.3009 ( 1418 PWs) bands (ev): -22.4903 -22.4903 -22.1746 -22.1746 -6.1585 -6.1585 -6.0485 -6.0485 -5.2170 -5.2170 -4.6007 -4.6007 -4.0691 -4.0691 -3.4138 -3.4138 11.6400 11.6400 11.8421 11.8421 13.5004 13.5004 15.2889 15.2889 16.2803 16.2803 16.5898 16.5898 k =-0.0504 0.7375 0.3093 ( 1416 PWs) bands (ev): -22.4909 -22.4909 -22.1748 -22.1748 -6.1611 -6.1610 -6.0428 -6.0428 -5.2168 -5.2168 -4.6304 -4.6304 -4.0422 -4.0422 -3.4111 -3.4111 11.6526 11.6526 11.8429 11.8429 13.5390 13.5390 15.2920 15.2920 16.2282 16.2282 16.5752 16.5752 k =-0.0604 0.7345 0.3176 ( 1418 PWs) bands (ev): -22.4916 -22.4916 -22.1750 -22.1750 -6.1636 -6.1635 -6.0366 -6.0366 -5.2165 -5.2165 -4.6627 -4.6626 -4.0131 -4.0131 -3.4079 -3.4079 11.6680 11.6680 11.8447 11.8447 13.5849 13.5849 15.2956 15.2956 16.1750 16.1750 16.5574 16.5574 k =-0.0705 0.7316 0.3260 ( 1418 PWs) bands (ev): -22.4925 -22.4925 -22.1752 -22.1752 -6.1658 -6.1658 -6.0301 -6.0301 -5.2162 -5.2162 -4.6966 -4.6966 -3.9827 -3.9827 -3.4041 -3.4041 11.6860 11.6860 11.8478 11.8478 13.6375 13.6375 15.2996 15.2996 16.1216 16.1216 16.5363 16.5363 k =-0.0806 0.7286 0.3343 ( 1421 PWs) bands (ev): -22.4934 -22.4934 -22.1755 -22.1755 -6.1677 -6.1677 -6.0236 -6.0235 -5.2159 -5.2159 -4.7314 -4.7314 -3.9517 -3.9517 -3.3999 -3.3999 11.7065 11.7065 11.8524 11.8524 13.6963 13.6963 15.3039 15.3039 16.0688 16.0688 16.5121 16.5121 k =-0.0907 0.7256 0.3427 ( 1419 PWs) bands (ev): -22.4944 -22.4944 -22.1758 -22.1758 -6.1691 -6.1691 -6.0171 -6.0171 -5.2156 -5.2156 -4.7665 -4.7665 -3.9205 -3.9205 -3.3951 -3.3951 11.7295 11.7295 11.8590 11.8590 13.7604 13.7604 15.3083 15.3083 16.0172 16.0172 16.4848 16.4848 k =-0.1007 0.7226 0.3511 ( 1417 PWs) bands (ev): -22.4955 -22.4955 -22.1763 -22.1763 -6.1700 -6.1699 -6.0110 -6.0110 -5.2153 -5.2153 -4.8013 -4.8012 -3.8895 -3.8895 -3.3898 -3.3898 11.7548 11.7548 11.8678 11.8678 13.8292 13.8292 15.3126 15.3126 15.9672 15.9672 16.4548 16.4548 k =-0.1108 0.7197 0.3594 ( 1417 PWs) bands (ev): -22.4967 -22.4967 -22.1768 -22.1768 -6.1702 -6.1702 -6.0053 -6.0053 -5.2153 -5.2153 -4.8353 -4.8353 -3.8590 -3.8590 -3.3841 -3.3841 11.7823 11.7823 11.8791 11.8791 13.9019 13.9019 15.3166 15.3166 15.9193 15.9193 16.4222 16.4222 k =-0.1209 0.7167 0.3678 ( 1416 PWs) bands (ev): -22.4980 -22.4980 -22.1774 -22.1774 -6.1697 -6.1697 -6.0001 -6.0001 -5.2156 -5.2156 -4.8680 -4.8680 -3.8292 -3.8291 -3.3779 -3.3779 11.8118 11.8118 11.8930 11.8930 13.9776 13.9776 15.3198 15.3198 15.8739 15.8739 16.3875 16.3875 k =-0.1310 0.7137 0.3761 ( 1414 PWs) bands (ev): -22.4993 -22.4993 -22.1782 -22.1782 -6.1686 -6.1686 -5.9956 -5.9956 -5.2165 -5.2165 -4.8990 -4.8990 -3.8001 -3.8001 -3.3714 -3.3714 11.8431 11.8431 11.9098 11.9098 14.0557 14.0557 15.3219 15.3219 15.8312 15.8312 16.3513 16.3513 k =-0.1410 0.7108 0.3845 ( 1414 PWs) bands (ev): -22.5007 -22.5007 -22.1790 -22.1790 -6.1668 -6.1668 -5.9919 -5.9919 -5.2183 -5.2183 -4.9276 -4.9276 -3.7721 -3.7721 -3.3645 -3.3645 11.8760 11.8760 11.9296 11.9296 14.1351 14.1351 15.3222 15.3222 15.7916 15.7916 16.3145 16.3145 k =-0.1511 0.7078 0.3929 ( 1416 PWs) bands (ev): -22.5020 -22.5020 -22.1801 -22.1801 -6.1643 -6.1643 -5.9890 -5.9890 -5.2213 -5.2213 -4.9532 -4.9532 -3.7451 -3.7451 -3.3573 -3.3573 11.9101 11.9101 11.9527 11.9527 14.2152 14.2152 15.3203 15.3203 15.7554 15.7554 16.2778 16.2778 k =-0.1612 0.7048 0.4012 ( 1414 PWs) bands (ev): -22.5035 -22.5035 -22.1812 -22.1812 -6.1611 -6.1611 -5.9870 -5.9870 -5.2259 -5.2259 -4.9753 -4.9753 -3.7192 -3.7192 -3.3499 -3.3499 11.9450 11.9450 11.9793 11.9793 14.2949 14.2949 15.3154 15.3154 15.7227 15.7227 16.2423 16.2423 k =-0.1712 0.7018 0.4096 ( 1413 PWs) bands (ev): -22.5049 -22.5049 -22.1826 -22.1826 -6.1573 -6.1573 -5.9860 -5.9860 -5.2326 -5.2326 -4.9932 -4.9932 -3.6946 -3.6946 -3.3422 -3.3422 11.9802 11.9802 12.0095 12.0095 14.3735 14.3735 15.3069 15.3069 15.6940 15.6940 16.2091 16.2091 k =-0.1813 0.6989 0.4179 ( 1411 PWs) bands (ev): -22.5063 -22.5063 -22.1841 -22.1841 -6.1530 -6.1529 -5.9859 -5.9859 -5.2415 -5.2415 -5.0066 -5.0066 -3.6712 -3.6712 -3.3344 -3.3344 12.0154 12.0154 12.0434 12.0434 14.4501 14.4501 15.2939 15.2939 15.6694 15.6694 16.1792 16.1792 k =-0.1914 0.6959 0.4263 ( 1411 PWs) bands (ev): -22.5077 -22.5077 -22.1858 -22.1858 -6.1481 -6.1481 -5.9867 -5.9867 -5.2524 -5.2524 -5.0156 -5.0156 -3.6491 -3.6491 -3.3265 -3.3265 12.0509 12.0509 12.0802 12.0802 14.5238 14.5238 15.2762 15.2762 15.6493 15.6493 16.1532 16.1532 k =-0.2015 0.6929 0.4346 ( 1417 PWs) bands (ev): -22.5091 -22.5091 -22.1877 -22.1877 -6.1427 -6.1427 -5.9885 -5.9884 -5.2649 -5.2649 -5.0203 -5.0203 -3.6283 -3.6283 -3.3186 -3.3186 12.0871 12.0871 12.1190 12.1190 14.5939 14.5939 15.2536 15.2536 15.6337 15.6337 16.1314 16.1314 k =-0.2115 0.6899 0.4430 ( 1417 PWs) bands (ev): -22.5105 -22.5105 -22.1898 -22.1898 -6.1371 -6.1370 -5.9910 -5.9910 -5.2784 -5.2784 -5.0214 -5.0214 -3.6088 -3.6088 -3.3108 -3.3108 12.1244 12.1244 12.1591 12.1591 14.6597 14.6597 15.2264 15.2264 15.6230 15.6230 16.1136 16.1136 k =-0.2216 0.6870 0.4514 ( 1422 PWs) bands (ev): -22.5118 -22.5118 -22.1922 -22.1922 -6.1311 -6.1311 -5.9944 -5.9943 -5.2923 -5.2923 -5.0193 -5.0193 -3.5906 -3.5906 -3.3032 -3.3031 12.1627 12.1627 12.1999 12.1999 14.7207 14.7207 15.1952 15.1952 15.6174 15.6174 16.0987 16.0987 k =-0.2317 0.6840 0.4597 ( 1422 PWs) bands (ev): -22.5130 -22.5130 -22.1948 -22.1948 -6.1251 -6.1250 -5.9983 -5.9982 -5.3057 -5.3057 -5.0148 -5.0148 -3.5737 -3.5737 -3.2957 -3.2957 12.2018 12.2018 12.2409 12.2409 14.7764 14.7764 15.1613 15.1613 15.6171 15.6171 16.0853 16.0853 k =-0.2418 0.6810 0.4681 ( 1422 PWs) bands (ev): -22.5142 -22.5142 -22.1976 -22.1976 -6.1191 -6.1190 -6.0026 -6.0026 -5.3183 -5.3183 -5.0083 -5.0083 -3.5581 -3.5581 -3.2886 -3.2886 12.2414 12.2414 12.2819 12.2819 14.8264 14.8264 15.1261 15.1261 15.6222 15.6222 16.0717 16.0717 k =-0.2518 0.6781 0.4764 ( 1420 PWs) bands (ev): -22.5154 -22.5154 -22.2007 -22.2007 -6.1133 -6.1133 -6.0072 -6.0071 -5.3295 -5.3295 -5.0001 -5.0001 -3.5437 -3.5437 -3.2820 -3.2820 12.2811 12.2811 12.3226 12.3226 14.8698 14.8698 15.0918 15.0918 15.6330 15.6330 16.0560 16.0560 k =-0.2619 0.6751 0.4848 ( 1418 PWs) bands (ev): -22.5164 -22.5164 -22.2040 -22.2040 -6.1080 -6.1080 -6.0116 -6.0116 -5.3390 -5.3390 -4.9907 -4.9907 -3.5306 -3.5306 -3.2759 -3.2759 12.3204 12.3204 12.3627 12.3627 14.9046 14.9046 15.0619 15.0619 15.6495 15.6495 16.0364 16.0364 k =-0.2720 0.6721 0.4932 ( 1416 PWs) bands (ev): -22.5174 -22.5174 -22.2077 -22.2077 -6.1035 -6.1035 -6.0157 -6.0157 -5.3466 -5.3466 -4.9802 -4.9802 -3.5187 -3.5187 -3.2704 -3.2704 12.3590 12.3590 12.4019 12.4019 14.9253 14.9253 15.0433 15.0433 15.6718 15.6718 16.0117 16.0117 k =-0.2820 0.6691 0.5015 ( 1416 PWs) bands (ev): -22.5183 -22.5183 -22.2115 -22.2115 -6.1001 -6.1001 -6.0190 -6.0190 -5.3520 -5.3520 -4.9690 -4.9689 -3.5080 -3.5080 -3.2656 -3.2655 12.3964 12.3964 12.4399 12.4399 14.9243 14.9243 15.0449 15.0449 15.7000 15.7000 15.9813 15.9813 k =-0.2921 0.6662 0.5099 ( 1414 PWs) bands (ev): -22.5191 -22.5191 -22.2157 -22.2157 -6.0980 -6.0980 -6.0212 -6.0212 -5.3551 -5.3551 -4.9570 -4.9570 -3.4984 -3.4984 -3.2615 -3.2615 12.4323 12.4323 12.4764 12.4764 14.9066 14.9066 15.0627 15.0627 15.7339 15.7339 15.9450 15.9450 k =-0.3022 0.6632 0.5182 ( 1414 PWs) bands (ev): -22.5198 -22.5198 -22.2201 -22.2201 -6.0974 -6.0974 -6.0221 -6.0221 -5.3559 -5.3559 -4.9445 -4.9445 -3.4901 -3.4901 -3.2583 -3.2583 12.4664 12.4664 12.5111 12.5111 14.8833 14.8833 15.0868 15.0869 15.7733 15.7733 15.9038 15.9038 k =-0.3123 0.6602 0.5266 ( 1414 PWs) bands (ev): -22.5204 -22.5204 -22.2248 -22.2248 -6.0981 -6.0981 -6.0216 -6.0216 -5.3543 -5.3543 -4.9315 -4.9315 -3.4828 -3.4828 -3.2561 -3.2561 12.4986 12.4986 12.5437 12.5437 14.8592 14.8592 15.1127 15.1127 15.8138 15.8138 15.8628 15.8628 k =-0.3223 0.6573 0.5349 ( 1418 PWs) bands (ev): -22.5210 -22.5210 -22.2297 -22.2297 -6.1000 -6.1000 -6.0199 -6.0199 -5.3503 -5.3503 -4.9183 -4.9183 -3.4768 -3.4768 -3.2547 -3.2547 12.5287 12.5287 12.5740 12.5740 14.8359 14.8359 15.1387 15.1387 15.8000 15.8000 15.8791 15.8791 k =-0.3223 0.6573 0.5349 ( 1418 PWs) bands (ev): -22.5210 -22.5210 -22.2297 -22.2297 -6.1000 -6.1000 -6.0199 -6.0199 -5.3503 -5.3503 -4.9183 -4.9183 -3.4768 -3.4768 -3.2547 -3.2547 12.5287 12.5287 12.5740 12.5740 14.8359 14.8359 15.1387 15.1387 15.8000 15.8000 15.8791 15.8791 k =-0.3271 0.6446 0.5349 ( 1418 PWs) bands (ev): -22.5222 -22.5222 -22.2406 -22.2406 -6.1053 -6.1053 -6.0163 -6.0163 -5.3370 -5.3370 -4.8887 -4.8887 -3.4654 -3.4654 -3.2528 -3.2528 12.5922 12.5922 12.6375 12.6375 14.7862 14.7862 15.1882 15.1882 15.6980 15.6980 15.9917 15.9917 k =-0.3319 0.6320 0.5349 ( 1418 PWs) bands (ev): -22.5237 -22.5237 -22.2517 -22.2517 -6.1114 -6.1114 -6.0149 -6.0149 -5.3193 -5.3193 -4.8571 -4.8571 -3.4542 -3.4542 -3.2508 -3.2508 12.6593 12.6593 12.7045 12.7045 14.7336 14.7336 15.2240 15.2240 15.6003 15.6003 16.1055 16.1055 k =-0.3367 0.6194 0.5349 ( 1422 PWs) bands (ev): -22.5255 -22.5255 -22.2630 -22.2630 -6.1182 -6.1182 -6.0158 -6.0158 -5.2973 -5.2973 -4.8236 -4.8236 -3.4432 -3.4432 -3.2487 -3.2487 12.7297 12.7297 12.7749 12.7749 14.6781 14.6781 15.2350 15.2350 15.5202 15.5202 16.2175 16.2175 k =-0.3415 0.6068 0.5349 ( 1414 PWs) bands (ev): -22.5276 -22.5276 -22.2744 -22.2744 -6.1257 -6.1257 -6.0189 -6.0189 -5.2709 -5.2709 -4.7883 -4.7883 -3.4325 -3.4325 -3.2464 -3.2464 12.8034 12.8034 12.8484 12.8484 14.6196 14.6196 15.2032 15.2032 15.4761 15.4761 16.3273 16.3273 k =-0.3463 0.5941 0.5349 ( 1414 PWs) bands (ev): -22.5299 -22.5299 -22.2859 -22.2859 -6.1339 -6.1339 -6.0242 -6.0242 -5.2405 -5.2405 -4.7515 -4.7515 -3.4219 -3.4219 -3.2440 -3.2440 12.8803 12.8803 12.9251 12.9251 14.5583 14.5583 15.1280 15.1280 15.4685 15.4685 16.4346 16.4346 k =-0.3511 0.5815 0.5349 ( 1406 PWs) bands (ev): -22.5324 -22.5324 -22.2976 -22.2976 -6.1427 -6.1427 -6.0314 -6.0314 -5.2061 -5.2061 -4.7133 -4.7133 -3.4116 -3.4116 -3.2415 -3.2415 12.9600 12.9600 13.0046 13.0046 14.4942 14.4942 15.0294 15.0294 15.4778 15.4778 16.5392 16.5392 k =-0.3560 0.5689 0.5349 ( 1406 PWs) bands (ev): -22.5351 -22.5351 -22.3092 -22.3092 -6.1520 -6.1520 -6.0404 -6.0404 -5.1683 -5.1683 -4.6738 -4.6738 -3.4015 -3.4015 -3.2388 -3.2388 13.0426 13.0426 13.0869 13.0869 14.4271 14.4271 14.9205 14.9205 15.4907 15.4907 16.6409 16.6409 k =-0.3608 0.5563 0.5349 ( 1422 PWs) bands (ev): -22.5380 -22.5380 -22.3210 -22.3210 -6.1618 -6.1618 -6.0509 -6.0509 -5.1273 -5.1273 -4.6333 -4.6333 -3.3916 -3.3916 -3.2359 -3.2359 13.1277 13.1277 13.1718 13.1718 14.3572 14.3572 14.8069 14.8069 15.5024 15.5024 16.7396 16.7396 k =-0.3656 0.5436 0.5349 ( 1422 PWs) bands (ev): -22.5410 -22.5410 -22.3327 -22.3327 -6.1719 -6.1719 -6.0626 -6.0626 -5.0836 -5.0836 -4.5921 -4.5921 -3.3818 -3.3818 -3.2329 -3.2329 13.2152 13.2152 13.2589 13.2589 14.2843 14.2843 14.6908 14.6908 15.5109 15.5109 16.8349 16.8349 k =-0.3704 0.5310 0.5349 ( 1422 PWs) bands (ev): -22.5440 -22.5440 -22.3444 -22.3444 -6.1824 -6.1824 -6.0754 -6.0754 -5.0374 -5.0374 -4.5502 -4.5502 -3.3722 -3.3722 -3.2296 -3.2296 13.3047 13.3047 13.3482 13.3482 14.2087 14.2087 14.5733 14.5733 15.5156 15.5156 16.9269 16.9269 k =-0.3752 0.5184 0.5349 ( 1422 PWs) bands (ev): -22.5472 -22.5472 -22.3561 -22.3561 -6.1931 -6.1931 -6.0890 -6.0890 -4.9892 -4.9892 -4.5080 -4.5080 -3.3627 -3.3627 -3.2261 -3.2261 13.3961 13.3961 13.4394 13.4394 14.1303 14.1303 14.4552 14.4552 15.5164 15.5164 17.0153 17.0153 k =-0.3800 0.5058 0.5349 ( 1422 PWs) bands (ev): -22.5504 -22.5504 -22.3677 -22.3677 -6.2040 -6.2040 -6.1031 -6.1031 -4.9393 -4.9393 -4.4656 -4.4656 -3.3533 -3.3533 -3.2224 -3.2224 13.4888 13.4888 13.5321 13.5321 14.0494 14.0494 14.3372 14.3372 15.5135 15.5135 17.1001 17.1001 k =-0.3848 0.4932 0.5349 ( 1422 PWs) bands (ev): -22.5536 -22.5536 -22.3792 -22.3792 -6.2150 -6.2150 -6.1178 -6.1177 -4.8880 -4.8880 -4.4234 -4.4234 -3.3440 -3.3440 -3.2184 -3.2184 13.5823 13.5823 13.6258 13.6258 13.9664 13.9664 14.2200 14.2200 15.5071 15.5071 17.0253 17.0253 k =-0.3896 0.4805 0.5349 ( 1418 PWs) bands (ev): -22.5568 -22.5568 -22.3906 -22.3906 -6.2259 -6.2259 -6.1326 -6.1326 -4.8357 -4.8357 -4.3816 -4.3816 -3.3347 -3.3347 -3.2141 -3.2141 13.6752 13.6752 13.7184 13.7184 13.8831 13.8831 14.1052 14.1052 15.4978 15.4978 16.8634 16.8634 k =-0.3944 0.4679 0.5349 ( 1418 PWs) bands (ev): -22.5600 -22.5600 -22.4019 -22.4019 -6.2369 -6.2369 -6.1476 -6.1476 -4.7826 -4.7826 -4.3404 -4.3404 -3.3255 -3.3255 -3.2095 -3.2095 13.7620 13.7620 13.7701 13.7701 13.8396 13.8396 13.9982 13.9982 15.4857 15.4857 16.7111 16.7111 k =-0.3992 0.4553 0.5349 ( 1418 PWs) bands (ev): -22.5630 -22.5630 -22.4129 -22.4129 -6.2477 -6.2477 -6.1627 -6.1627 -4.7292 -4.7292 -4.3001 -4.3001 -3.3163 -3.3163 -3.2047 -3.2047 13.6941 13.6941 13.8015 13.8015 13.9226 13.9226 13.9404 13.9404 15.4715 15.4715 16.5683 16.5683 k =-0.4040 0.4427 0.5349 ( 1418 PWs) bands (ev): -22.5660 -22.5660 -22.4238 -22.4238 -6.2584 -6.2584 -6.1776 -6.1776 -4.6756 -4.6756 -4.2609 -4.2609 -3.3070 -3.3070 -3.1995 -3.1995 13.6044 13.6044 13.7265 13.7265 13.9991 13.9991 14.0183 14.0183 15.4555 15.4555 16.4351 16.4351 k =-0.4088 0.4300 0.5349 ( 1418 PWs) bands (ev): -22.5689 -22.5689 -22.4344 -22.4344 -6.2688 -6.2688 -6.1923 -6.1923 -4.6223 -4.6223 -4.2231 -4.2231 -3.2977 -3.2977 -3.1940 -3.1940 13.5125 13.5125 13.6219 13.6219 14.0892 14.0892 14.1150 14.1150 15.4382 15.4382 16.3112 16.3112 k =-0.4136 0.4174 0.5349 ( 1414 PWs) bands (ev): -22.5717 -22.5717 -22.4449 -22.4449 -6.2789 -6.2789 -6.2068 -6.2068 -4.5694 -4.5694 -4.1868 -4.1868 -3.2883 -3.2883 -3.1882 -3.1882 13.4201 13.4201 13.5148 13.5148 14.1840 14.1840 14.2115 14.2115 15.4199 15.4199 16.1964 16.1964 k =-0.4184 0.4048 0.5349 ( 1414 PWs) bands (ev): -22.5742 -22.5742 -22.4550 -22.4550 -6.2887 -6.2887 -6.2209 -6.2209 -4.5173 -4.5173 -4.1523 -4.1523 -3.2788 -3.2788 -3.1821 -3.1821 13.3278 13.3278 13.4089 13.4089 14.2794 14.2794 14.3073 14.3073 15.4011 15.4011 16.0903 16.0903 k =-0.4232 0.3922 0.5349 ( 1414 PWs) bands (ev): -22.5766 -22.5766 -22.4649 -22.4649 -6.2981 -6.2981 -6.2346 -6.2346 -4.4662 -4.4662 -4.1198 -4.1198 -3.2691 -3.2691 -3.1759 -3.1759 13.2364 13.2364 13.3057 13.3057 14.3741 14.3741 14.4018 14.4018 15.3822 15.3822 15.9926 15.9926 k =-0.4280 0.3795 0.5349 ( 1406 PWs) bands (ev): -22.5787 -22.5787 -22.4744 -22.4744 -6.3071 -6.3071 -6.2478 -6.2478 -4.4164 -4.4164 -4.0895 -4.0895 -3.2593 -3.2593 -3.1694 -3.1694 13.1466 13.1466 13.2058 13.2058 14.4674 14.4674 14.4946 14.4946 15.3634 15.3634 15.9029 15.9029 k =-0.4328 0.3669 0.5349 ( 1406 PWs) bands (ev): -22.5806 -22.5806 -22.4837 -22.4837 -6.3155 -6.3155 -6.2605 -6.2605 -4.3681 -4.3681 -4.0614 -4.0614 -3.2494 -3.2494 -3.1628 -3.1628 13.0591 13.0591 13.1099 13.1099 14.5585 14.5585 14.5850 14.5850 15.3451 15.3451 15.8208 15.8208 k =-0.4376 0.3543 0.5349 ( 1406 PWs) bands (ev): -22.5823 -22.5823 -22.4926 -22.4926 -6.3235 -6.3235 -6.2727 -6.2727 -4.3216 -4.3216 -4.0358 -4.0358 -3.2394 -3.2394 -3.1563 -3.1563 12.9746 12.9746 13.0182 13.0182 14.6470 14.6470 14.6726 14.6726 15.3276 15.3276 15.7458 15.7458 k =-0.4424 0.3417 0.5349 ( 1398 PWs) bands (ev): -22.5837 -22.5837 -22.5011 -22.5011 -6.3308 -6.3308 -6.2842 -6.2842 -4.2771 -4.2771 -4.0127 -4.0127 -3.2292 -3.2292 -3.1498 -3.1498 12.8937 12.8937 12.9314 12.9314 14.7322 14.7322 14.7569 14.7569 15.3112 15.3112 15.6776 15.6776 k =-0.4472 0.3290 0.5349 ( 1406 PWs) bands (ev): -22.5847 -22.5847 -22.5093 -22.5093 -6.3376 -6.3376 -6.2950 -6.2950 -4.2348 -4.2348 -3.9922 -3.9922 -3.2190 -3.2190 -3.1435 -3.1435 12.8171 12.8171 12.8497 12.8497 14.8134 14.8134 14.8371 14.8371 15.2961 15.2961 15.6157 15.6157 k =-0.4520 0.3164 0.5349 ( 1414 PWs) bands (ev): -22.5855 -22.5855 -22.5171 -22.5171 -6.3437 -6.3437 -6.3052 -6.3052 -4.1949 -4.1949 -3.9744 -3.9744 -3.2087 -3.2087 -3.1376 -3.1376 12.7453 12.7453 12.7737 12.7737 14.8902 14.8902 14.9129 14.9129 15.2827 15.2827 15.5598 15.5598 k =-0.4568 0.3038 0.5349 ( 1414 PWs) bands (ev): -22.5859 -22.5859 -22.5245 -22.5245 -6.3492 -6.3492 -6.3146 -6.3146 -4.1574 -4.1574 -3.9593 -3.9593 -3.1985 -3.1985 -3.1322 -3.1322 12.6789 12.6789 12.7036 12.7036 14.9616 14.9616 14.9835 14.9835 15.2712 15.2712 15.5095 15.5095 k =-0.4616 0.2912 0.5349 ( 1414 PWs) bands (ev): -22.5860 -22.5860 -22.5315 -22.5315 -6.3539 -6.3539 -6.3234 -6.3234 -4.1226 -4.1226 -3.9469 -3.9469 -3.1884 -3.1884 -3.1275 -3.1275 12.6184 12.6184 12.6398 12.6398 15.0271 15.0271 15.0484 15.0484 15.2620 15.2620 15.4645 15.4645 k =-0.4664 0.2785 0.5349 ( 1414 PWs) bands (ev): -22.5857 -22.5857 -22.5381 -22.5381 -6.3580 -6.3580 -6.3313 -6.3313 -4.0906 -4.0906 -3.9372 -3.9372 -3.1785 -3.1785 -3.1235 -3.1235 12.5641 12.5641 12.5825 12.5825 15.0856 15.0856 15.1068 15.1068 15.2557 15.2557 15.4246 15.4246 k =-0.4712 0.2659 0.5349 ( 1410 PWs) bands (ev): -22.5850 -22.5850 -22.5443 -22.5443 -6.3613 -6.3613 -6.3385 -6.3385 -4.0613 -4.0613 -3.9302 -3.9302 -3.1689 -3.1689 -3.1204 -3.1204 12.5165 12.5165 12.5321 12.5321 15.1356 15.1356 15.1582 15.1582 15.2534 15.2534 15.3896 15.3896 k =-0.4760 0.2533 0.5349 ( 1410 PWs) bands (ev): -22.5839 -22.5839 -22.5501 -22.5501 -6.3638 -6.3638 -6.3449 -6.3449 -4.0349 -4.0349 -3.9260 -3.9260 -3.1598 -3.1598 -3.1184 -3.1184 12.4759 12.4759 12.4888 12.4888 15.1747 15.1747 15.2015 15.2015 15.2571 15.2571 15.3598 15.3598 k =-0.4808 0.2407 0.5349 ( 1410 PWs) bands (ev): -22.5824 -22.5824 -22.5554 -22.5554 -6.3656 -6.3656 -6.3505 -6.3505 -4.0113 -4.0113 -3.9245 -3.9245 -3.1513 -3.1513 -3.1174 -3.1174 12.4425 12.4425 12.4529 12.4529 15.2000 15.2000 15.2354 15.2354 15.2695 15.2695 15.3359 15.3359 k =-0.4856 0.2281 0.5349 ( 1410 PWs) bands (ev): -22.5806 -22.5806 -22.5603 -22.5603 -6.3665 -6.3665 -6.3552 -6.3552 -3.9906 -3.9906 -3.9257 -3.9257 -3.1435 -3.1435 -3.1177 -3.1177 12.4167 12.4167 12.4244 12.4244 15.2139 15.2139 15.2563 15.2563 15.2878 15.2878 15.3206 15.3206 k =-0.4904 0.2154 0.5349 ( 1410 PWs) bands (ev): -22.5783 -22.5783 -22.5648 -22.5648 -6.3667 -6.3667 -6.3592 -6.3592 -3.9728 -3.9728 -3.9296 -3.9296 -3.1365 -3.1365 -3.1191 -3.1191 12.3984 12.3984 12.4036 12.4036 15.2232 15.2232 15.2600 15.2600 15.3051 15.3051 15.3180 15.3180 k =-0.4952 0.2028 0.5349 ( 1410 PWs) bands (ev): -22.5755 -22.5755 -22.5688 -22.5688 -6.3660 -6.3660 -6.3623 -6.3623 -3.9578 -3.9578 -3.9362 -3.9362 -3.1305 -3.1305 -3.1217 -3.1217 12.3880 12.3880 12.3905 12.3905 15.2320 15.2320 15.2521 15.2521 15.3172 15.3172 15.3218 15.3218 k =-0.5000 0.1902 0.5349 ( 1418 PWs) bands (ev): -22.5724 -22.5724 -22.5724 -22.5724 -6.3646 -6.3646 -6.3646 -6.3646 -3.9456 -3.9456 -3.9456 -3.9456 -3.1255 -3.1255 -3.1255 -3.1255 12.3853 12.3853 12.3853 12.3853 15.2417 15.2417 15.2417 15.2417 15.3227 15.3227 15.3227 15.3227 k = 0.0000 0.0000 0.5349 ( 1408 PWs) bands (ev): -22.5892 -22.5892 -22.5892 -22.5892 -5.4386 -5.4386 -5.4386 -5.4386 -4.5542 -4.5542 -4.5542 -4.5542 -3.5086 -3.5086 -3.5085 -3.5085 12.0028 12.0028 12.0028 12.0028 14.0555 14.0555 14.0555 14.0555 16.3729 16.3729 16.3729 16.3729 k = 0.0048 0.0126 0.5349 ( 1416 PWs) bands (ev): -22.5890 -22.5890 -22.5889 -22.5889 -5.4413 -5.4413 -5.4360 -5.4360 -4.5590 -4.5590 -4.5492 -4.5491 -3.5123 -3.5123 -3.5078 -3.5077 12.0045 12.0045 12.0052 12.0052 14.0569 14.0569 14.0575 14.0575 16.3683 16.3683 16.3728 16.3728 k = 0.0096 0.0253 0.5349 ( 1418 PWs) bands (ev): -22.5883 -22.5883 -22.5883 -22.5883 -5.4442 -5.4442 -5.4336 -5.4336 -4.5638 -4.5638 -4.5440 -4.5439 -3.5190 -3.5189 -3.5099 -3.5098 12.0102 12.0102 12.0116 12.0116 14.0617 14.0617 14.0629 14.0629 16.3591 16.3591 16.3681 16.3681 k = 0.0144 0.0379 0.5349 ( 1418 PWs) bands (ev): -22.5872 -22.5872 -22.5872 -22.5871 -5.4473 -5.4473 -5.4313 -5.4313 -4.5685 -4.5684 -4.5386 -4.5385 -3.5286 -3.5285 -3.5147 -3.5147 12.0198 12.0198 12.0218 12.0219 14.0699 14.0700 14.0717 14.0717 16.3454 16.3454 16.3588 16.3588 k = 0.0192 0.0506 0.5349 ( 1412 PWs) bands (ev): -22.5857 -22.5856 -22.5856 -22.5856 -5.4506 -5.4505 -5.4292 -5.4292 -4.5731 -4.5731 -4.5329 -4.5329 -3.5410 -3.5410 -3.5224 -3.5223 12.0330 12.0330 12.0358 12.0358 14.0816 14.0816 14.0840 14.0840 16.3274 16.3274 16.3450 16.3450 k = 0.0240 0.0632 0.5349 ( 1412 PWs) bands (ev): -22.5837 -22.5837 -22.5836 -22.5836 -5.4541 -5.4541 -5.4273 -5.4273 -4.5778 -4.5778 -4.5271 -4.5270 -3.5563 -3.5563 -3.5325 -3.5325 12.0497 12.0497 12.0532 12.0532 14.0965 14.0965 14.0996 14.0997 16.3054 16.3054 16.3269 16.3270 k = 0.0288 0.0758 0.5349 ( 1414 PWs) bands (ev): -22.5813 -22.5812 -22.5812 -22.5812 -5.4579 -5.4578 -5.4257 -5.4256 -4.5825 -4.5825 -4.5209 -4.5209 -3.5743 -3.5742 -3.5451 -3.5451 12.0693 12.0693 12.0737 12.0737 14.1147 14.1147 14.1186 14.1186 16.2798 16.2798 16.3050 16.3050 k = 0.0337 0.0885 0.5349 ( 1418 PWs) bands (ev): -22.5784 -22.5784 -22.5784 -22.5784 -5.4620 -5.4619 -5.4242 -5.4242 -4.5874 -4.5874 -4.5145 -4.5145 -3.5948 -3.5947 -3.5599 -3.5599 12.0916 12.0916 12.0967 12.0967 14.1360 14.1360 14.1408 14.1408 16.2510 16.2510 16.2797 16.2797 k = 0.0385 0.1011 0.5349 ( 1426 PWs) bands (ev): -22.5752 -22.5752 -22.5752 -22.5751 -5.4664 -5.4664 -5.4231 -5.4231 -4.5925 -4.5925 -4.5079 -4.5078 -3.6177 -3.6177 -3.5767 -3.5767 12.1160 12.1160 12.1219 12.1220 14.1602 14.1602 14.1659 14.1659 16.2196 16.2196 16.2514 16.2514 k = 0.0433 0.1138 0.5349 ( 1426 PWs) bands (ev): -22.5716 -22.5715 -22.5715 -22.5715 -5.4712 -5.4712 -5.4223 -5.4223 -4.5978 -4.5978 -4.5009 -4.5009 -3.6429 -3.6428 -3.5953 -3.5952 12.1420 12.1420 12.1488 12.1488 14.1870 14.1870 14.1937 14.1938 16.1866 16.1866 16.2210 16.2210 k = 0.0481 0.1264 0.5349 ( 1422 PWs) bands (ev): -22.5675 -22.5675 -22.5675 -22.5674 -5.4765 -5.4765 -5.4219 -5.4219 -4.6035 -4.6035 -4.4937 -4.4936 -3.6701 -3.6700 -3.6153 -3.6153 12.1690 12.1690 12.1767 12.1768 14.2158 14.2158 14.2237 14.2237 16.1528 16.1528 16.1895 16.1895 k = 0.0529 0.1390 0.5349 ( 1418 PWs) bands (ev): -22.5631 -22.5631 -22.5631 -22.5630 -5.4824 -5.4823 -5.4220 -5.4220 -4.6096 -4.6095 -4.4862 -4.4861 -3.6991 -3.6990 -3.6365 -3.6365 12.1966 12.1966 12.2052 12.2052 14.2460 14.2460 14.2552 14.2552 16.1195 16.1195 16.1580 16.1580 k = 0.0577 0.1517 0.5349 ( 1418 PWs) bands (ev): -22.5584 -22.5583 -22.5583 -22.5583 -5.4888 -5.4888 -5.4227 -5.4226 -4.6161 -4.6161 -4.4784 -4.4784 -3.7297 -3.7296 -3.6586 -3.6586 12.2241 12.2241 12.2336 12.2336 14.2765 14.2765 14.2871 14.2871 16.0882 16.0882 16.1280 16.1281 k = 0.0625 0.1643 0.5349 ( 1418 PWs) bands (ev): -22.5533 -22.5532 -22.5532 -22.5532 -5.4959 -5.4959 -5.4240 -5.4239 -4.6231 -4.6231 -4.4704 -4.4703 -3.7616 -3.7616 -3.6813 -3.6813 12.2510 12.2510 12.2614 12.2614 14.3060 14.3060 14.3183 14.3183 16.0607 16.0607 16.1014 16.1014 k = 0.0673 0.1770 0.5349 ( 1418 PWs) bands (ev): -22.5478 -22.5478 -22.5478 -22.5477 -5.5037 -5.5037 -5.4260 -5.4260 -4.6307 -4.6307 -4.4621 -4.4620 -3.7946 -3.7946 -3.7042 -3.7042 12.2768 12.2768 12.2882 12.2882 14.3331 14.3331 14.3471 14.3471 16.0389 16.0389 16.0800 16.0800 k = 0.0721 0.1896 0.5349 ( 1418 PWs) bands (ev): -22.5421 -22.5421 -22.5420 -22.5420 -5.5124 -5.5124 -5.4290 -5.4289 -4.6388 -4.6388 -4.4536 -4.4535 -3.8284 -3.8284 -3.7271 -3.7271 12.3012 12.3012 12.3134 12.3134 14.3557 14.3558 14.3717 14.3717 16.0252 16.0252 16.0663 16.0663 k = 0.0769 0.2022 0.5349 ( 1418 PWs) bands (ev): -22.5361 -22.5360 -22.5360 -22.5359 -5.5220 -5.5219 -5.4329 -5.4329 -4.6476 -4.6476 -4.4448 -4.4448 -3.8628 -3.8627 -3.7496 -3.7496 12.3236 12.3236 12.3367 12.3367 14.3721 14.3721 14.3900 14.3900 16.0217 16.0217 16.0625 16.0625 k = 0.0817 0.2149 0.5349 ( 1412 PWs) bands (ev): -22.5298 -22.5297 -22.5297 -22.5296 -5.5325 -5.5325 -5.4380 -5.4379 -4.6569 -4.6569 -4.4359 -4.4359 -3.8974 -3.8974 -3.7715 -3.7715 12.3439 12.3439 12.3578 12.3578 14.3802 14.3802 14.4001 14.4001 16.0306 16.0306 16.0707 16.0708 k = 0.0865 0.2275 0.5349 ( 1412 PWs) bands (ev): -22.5232 -22.5232 -22.5231 -22.5231 -5.5441 -5.5440 -5.4443 -5.4442 -4.6668 -4.6667 -4.4268 -4.4268 -3.9320 -3.9320 -3.7925 -3.7925 12.3617 12.3617 12.3763 12.3763 14.3784 14.3785 14.4003 14.4003 16.0533 16.0533 16.0928 16.0928 k = 0.0913 0.2402 0.5349 ( 1412 PWs) bands (ev): -22.5164 -22.5164 -22.5164 -22.5163 -5.5568 -5.5567 -5.4520 -5.4519 -4.6770 -4.6770 -4.4176 -4.4175 -3.9664 -3.9663 -3.8124 -3.8124 12.3769 12.3769 12.3923 12.3923 14.3660 14.3660 14.3897 14.3897 16.0907 16.0907 16.1295 16.1295 k = 0.0962 0.2528 0.5349 ( 1412 PWs) bands (ev): -22.5095 -22.5094 -22.5094 -22.5093 -5.5706 -5.5706 -5.4612 -5.4612 -4.6876 -4.6876 -4.4082 -4.4082 -4.0002 -4.0001 -3.8309 -3.8309 12.3895 12.3895 12.4054 12.4054 14.3427 14.3427 14.3678 14.3678 16.1425 16.1425 16.1808 16.1808 k = 0.1010 0.2654 0.5349 ( 1416 PWs) bands (ev): -22.5023 -22.5023 -22.5022 -22.5022 -5.5857 -5.5857 -5.4721 -5.4720 -4.6984 -4.6984 -4.3988 -4.3988 -4.0332 -4.0331 -3.8480 -3.8480 12.3993 12.3993 12.4158 12.4158 14.3089 14.3089 14.3351 14.3351 16.2075 16.2075 16.2456 16.2456 k = 0.1058 0.2781 0.5349 ( 1414 PWs) bands (ev): -22.4950 -22.4950 -22.4949 -22.4949 -5.6021 -5.6021 -5.4847 -5.4846 -4.7092 -4.7092 -4.3894 -4.3894 -4.0652 -4.0651 -3.8635 -3.8635 12.4065 12.4065 12.4235 12.4235 14.2658 14.2658 14.2927 14.2927 16.2836 16.2836 16.3218 16.3218 k = 0.1106 0.2907 0.5349 ( 1414 PWs) bands (ev): -22.4876 -22.4875 -22.4875 -22.4874 -5.6197 -5.6197 -5.4991 -5.4991 -4.7198 -4.7198 -4.3800 -4.3800 -4.0959 -4.0959 -3.8774 -3.8774 12.4111 12.4111 12.4284 12.4284 14.2145 14.2145 14.2418 14.2418 16.3679 16.3679 16.4062 16.4062 k = 0.1154 0.3034 0.5349 ( 1410 PWs) bands (ev): -22.4801 -22.4800 -22.4799 -22.4799 -5.6386 -5.6386 -5.5154 -5.5154 -4.7301 -4.7301 -4.3707 -4.3707 -4.1252 -4.1251 -3.8897 -3.8897 12.4131 12.4131 12.4307 12.4307 14.1567 14.1567 14.1839 14.1839 16.4565 16.4565 16.4950 16.4950 k = 0.1202 0.3160 0.5349 ( 1410 PWs) bands (ev): -22.4724 -22.4724 -22.4723 -22.4723 -5.6587 -5.6587 -5.5336 -5.5335 -4.7399 -4.7399 -4.3616 -4.3616 -4.1527 -4.1527 -3.9003 -3.9003 12.4128 12.4128 12.4306 12.4306 14.0934 14.0935 14.1204 14.1204 16.5448 16.5448 16.5832 16.5832 k = 0.1250 0.3286 0.5349 ( 1410 PWs) bands (ev): -22.4648 -22.4648 -22.4647 -22.4646 -5.6800 -5.6800 -5.5536 -5.5535 -4.7491 -4.7491 -4.3528 -4.3528 -4.1784 -4.1783 -3.9094 -3.9094 12.4103 12.4103 12.4281 12.4281 14.0262 14.0262 14.0526 14.0526 16.6276 16.6276 16.6650 16.6651 k = 0.1298 0.3413 0.5349 ( 1410 PWs) bands (ev): -22.4571 -22.4571 -22.4570 -22.4569 -5.7024 -5.7024 -5.5753 -5.5753 -4.7574 -4.7574 -4.3447 -4.3446 -4.2018 -4.2018 -3.9171 -3.9171 12.4058 12.4058 12.4236 12.4236 13.9560 13.9560 13.9817 13.9817 16.7000 16.7001 16.7355 16.7355 k = 0.1346 0.3539 0.5349 ( 1414 PWs) bands (ev): -22.4495 -22.4494 -22.4493 -22.4493 -5.7259 -5.7259 -5.5986 -5.5986 -4.7649 -4.7649 -4.3375 -4.3375 -4.2226 -4.2226 -3.9233 -3.9233 12.3996 12.3996 12.4172 12.4172 13.8838 13.8838 13.9085 13.9085 16.7591 16.7591 16.7919 16.7919 k = 0.1394 0.3665 0.5349 ( 1414 PWs) bands (ev): -22.4418 -22.4418 -22.4417 -22.4417 -5.7502 -5.7502 -5.6234 -5.6234 -4.7715 -4.7714 -4.3320 -4.3320 -4.2401 -4.2400 -3.9283 -3.9283 12.3917 12.3917 12.4091 12.4091 13.8104 13.8104 13.8341 13.8341 16.8048 16.8048 16.8348 16.8348 k = 0.1442 0.3792 0.5349 ( 1418 PWs) bands (ev): -22.4343 -22.4342 -22.4341 -22.4341 -5.7753 -5.7753 -5.6494 -5.6494 -4.7771 -4.7771 -4.3294 -4.3293 -4.2531 -4.2530 -3.9321 -3.9321 12.3825 12.3825 12.3995 12.3995 13.7366 13.7366 13.7591 13.7591 16.8394 16.8394 16.8672 16.8672 k = 0.1490 0.3918 0.5349 ( 1410 PWs) bands (ev): -22.4268 -22.4268 -22.4267 -22.4266 -5.8010 -5.8010 -5.6764 -5.6764 -4.7818 -4.7818 -4.3309 -4.3309 -4.2603 -4.2603 -3.9349 -3.9349 12.3722 12.3722 12.3888 12.3888 13.6629 13.6629 13.6841 13.6841 16.8662 16.8662 16.8925 16.8925 k = 0.1538 0.4045 0.5349 ( 1410 PWs) bands (ev): -22.4195 -22.4194 -22.4193 -22.4193 -5.8271 -5.8271 -5.7042 -5.7041 -4.7856 -4.7856 -4.3367 -4.3367 -4.2618 -4.2618 -3.9368 -3.9368 12.3610 12.3610 12.3770 12.3770 13.5899 13.5899 13.6097 13.6097 16.8877 16.8877 16.9132 16.9132 k = 0.1587 0.4171 0.5349 ( 1410 PWs) bands (ev): -22.4123 -22.4122 -22.4121 -22.4121 -5.8534 -5.8534 -5.7324 -5.7324 -4.7885 -4.7885 -4.3453 -4.3453 -4.2591 -4.2591 -3.9378 -3.9378 12.3491 12.3491 12.3645 12.3645 13.5180 13.5180 13.5364 13.5364 16.9061 16.9061 16.9314 16.9314 k = 0.1635 0.4297 0.5349 ( 1406 PWs) bands (ev): -22.4053 -22.4052 -22.4051 -22.4051 -5.8798 -5.8798 -5.7609 -5.7609 -4.7907 -4.7907 -4.3549 -4.3549 -4.2541 -4.2541 -3.9382 -3.9382 12.3368 12.3368 12.3515 12.3515 13.4476 13.4476 13.4646 13.4646 16.9227 16.9227 16.9481 16.9481 k = 0.1683 0.4424 0.5349 ( 1406 PWs) bands (ev): -22.3985 -22.3984 -22.3983 -22.3983 -5.9060 -5.9060 -5.7893 -5.7893 -4.7923 -4.7922 -4.3646 -4.3646 -4.2480 -4.2479 -3.9380 -3.9380 12.3243 12.3243 12.3382 12.3382 13.3791 13.3791 13.3946 13.3946 16.9382 16.9383 16.9641 16.9641 k = 0.1731 0.4550 0.5349 ( 1406 PWs) bands (ev): -22.3919 -22.3918 -22.3917 -22.3917 -5.9319 -5.9319 -5.8175 -5.8174 -4.7932 -4.7931 -4.3737 -4.3737 -4.2413 -4.2413 -3.9373 -3.9373 12.3117 12.3117 12.3248 12.3248 13.3128 13.3128 13.3267 13.3268 16.9534 16.9534 16.9798 16.9798 k = 0.1779 0.4677 0.5349 ( 1406 PWs) bands (ev): -22.3856 -22.3855 -22.3854 -22.3854 -5.9573 -5.9573 -5.8451 -5.8450 -4.7936 -4.7935 -4.3821 -4.3821 -4.2345 -4.2344 -3.9362 -3.9362 12.2994 12.2994 12.3114 12.3114 13.2490 13.2490 13.2614 13.2614 16.9683 16.9683 16.9954 16.9954 k = 0.1827 0.4803 0.5349 ( 1406 PWs) bands (ev): -22.3795 -22.3795 -22.3794 -22.3793 -5.9820 -5.9819 -5.8719 -5.8719 -4.7935 -4.7935 -4.3896 -4.3896 -4.2277 -4.2276 -3.9348 -3.9348 12.2874 12.2874 12.2984 12.2984 13.1879 13.1879 13.1987 13.1987 16.9831 16.9831 17.0111 17.0111 k = 0.1875 0.4929 0.5349 ( 1414 PWs) bands (ev): -22.3738 -22.3737 -22.3736 -22.3736 -6.0057 -6.0057 -5.8978 -5.8978 -4.7932 -4.7931 -4.3963 -4.3963 -4.2211 -4.2210 -3.9331 -3.9331 12.2759 12.2759 12.2858 12.2859 13.1298 13.1298 13.1390 13.1390 16.9979 16.9979 17.0267 17.0267 k = 0.1923 0.5056 0.5349 ( 1422 PWs) bands (ev): -22.3684 -22.3683 -22.3682 -22.3682 -6.0284 -6.0284 -5.9225 -5.9225 -4.7925 -4.7925 -4.4022 -4.4022 -4.2148 -4.2147 -3.9314 -3.9313 12.2651 12.2651 12.2739 12.2739 13.0749 13.0749 13.0824 13.0824 17.0125 17.0125 17.0422 17.0422 k = 0.1971 0.5182 0.5349 ( 1422 PWs) bands (ev): -22.3633 -22.3633 -22.3631 -22.3631 -6.0499 -6.0499 -5.9459 -5.9459 -4.7916 -4.7916 -4.4074 -4.4073 -4.2088 -4.2087 -3.9295 -3.9295 12.2550 12.2550 12.2627 12.2627 13.0233 13.0233 13.0293 13.0293 17.0269 17.0269 17.0575 17.0575 k = 0.2019 0.5309 0.5349 ( 1414 PWs) bands (ev): -22.3586 -22.3586 -22.3584 -22.3584 -6.0700 -6.0700 -5.9678 -5.9677 -4.7906 -4.7906 -4.4118 -4.4118 -4.2032 -4.2031 -3.9276 -3.9275 12.2459 12.2459 12.2523 12.2524 12.9754 12.9754 12.9797 12.9798 17.0409 17.0409 17.0723 17.0723 k = 0.2067 0.5435 0.5349 ( 1414 PWs) bands (ev): -22.3543 -22.3543 -22.3541 -22.3541 -6.0886 -6.0886 -5.9880 -5.9880 -4.7895 -4.7895 -4.4156 -4.4156 -4.1980 -4.1980 -3.9257 -3.9257 12.2377 12.2377 12.2429 12.2430 12.9312 12.9312 12.9340 12.9340 17.0543 17.0543 17.0866 17.0866 k = 0.2115 0.5561 0.5349 ( 1418 PWs) bands (ev): -22.3504 -22.3504 -22.3502 -22.3502 -6.1056 -6.1055 -6.0064 -6.0064 -4.7884 -4.7884 -4.4189 -4.4188 -4.1933 -4.1933 -3.9239 -3.9238 12.2305 12.2305 12.2345 12.2346 12.8910 12.8911 12.8923 12.8924 17.0670 17.0670 17.1000 17.1000 k = 0.2163 0.5688 0.5349 ( 1410 PWs) bands (ev): -22.3469 -22.3469 -22.3467 -22.3467 -6.1208 -6.1208 -6.0230 -6.0229 -4.7874 -4.7873 -4.4216 -4.4215 -4.1891 -4.1890 -3.9222 -3.9221 12.2243 12.2243 12.2272 12.2272 12.8549 12.8549 12.8550 12.8550 17.0787 17.0787 17.1124 17.1124 k = 0.2212 0.5814 0.5349 ( 1422 PWs) bands (ev): -22.3439 -22.3438 -22.3437 -22.3437 -6.1342 -6.1342 -6.0375 -6.0374 -4.7863 -4.7863 -4.4238 -4.4238 -4.1854 -4.1853 -3.9206 -3.9206 12.2191 12.2191 12.2209 12.2209 12.8218 12.8219 12.8233 12.8233 17.0892 17.0892 17.1235 17.1236 k = 0.2260 0.5941 0.5349 ( 1422 PWs) bands (ev): -22.3413 -22.3412 -22.3411 -22.3411 -6.1457 -6.1456 -6.0499 -6.0499 -4.7854 -4.7854 -4.4256 -4.4256 -4.1822 -4.1822 -3.9192 -3.9192 12.2149 12.2149 12.2156 12.2156 12.7934 12.7935 12.7961 12.7962 17.0985 17.0985 17.1334 17.1334 k = 0.2308 0.6067 0.5349 ( 1422 PWs) bands (ev): -22.3392 -22.3391 -22.3390 -22.3389 -6.1552 -6.1551 -6.0602 -6.0601 -4.7846 -4.7846 -4.4271 -4.4271 -4.1796 -4.1796 -3.9181 -3.9181 12.2114 12.2114 12.2116 12.2116 12.7699 12.7699 12.7736 12.7737 17.1063 17.1063 17.1416 17.1416 k = 0.2356 0.6193 0.5349 ( 1422 PWs) bands (ev): -22.3375 -22.3374 -22.3373 -22.3372 -6.1626 -6.1626 -6.0682 -6.0682 -4.7840 -4.7839 -4.4282 -4.4281 -4.1776 -4.1775 -3.9172 -3.9171 12.2082 12.2082 12.2092 12.2092 12.7513 12.7513 12.7560 12.7560 17.1125 17.1126 17.1482 17.1482 k = 0.2404 0.6320 0.5349 ( 1418 PWs) bands (ev): -22.3363 -22.3362 -22.3361 -22.3360 -6.1679 -6.1679 -6.0740 -6.0740 -4.7835 -4.7835 -4.4289 -4.4289 -4.1761 -4.1761 -3.9165 -3.9165 12.2059 12.2060 12.2075 12.2075 12.7379 12.7380 12.7432 12.7433 17.1171 17.1171 17.1530 17.1530 k = 0.2452 0.6446 0.5349 ( 1412 PWs) bands (ev): -22.3356 -22.3355 -22.3354 -22.3353 -6.1712 -6.1711 -6.0775 -6.0775 -4.7832 -4.7832 -4.4294 -4.4294 -4.1752 -4.1752 -3.9161 -3.9161 12.2046 12.2046 12.2065 12.2065 12.7299 12.7299 12.7356 12.7356 17.1198 17.1198 17.1559 17.1559 k = 0.2500 0.6573 0.5349 ( 1412 PWs) bands (ev): -22.3353 -22.3353 -22.3351 -22.3351 -6.1722 -6.1722 -6.0787 -6.0786 -4.7831 -4.7831 -4.4295 -4.4295 -4.1749 -4.1749 -3.9159 -3.9159 12.2042 12.2042 12.2062 12.2062 12.7272 12.7272 12.7330 12.7330 17.1207 17.1208 17.1569 17.1569 Writing output data file Sr.save init_run : 0.10s CPU 0.22s WALL ( 1 calls) electrons : 52.08s CPU 53.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 52.07s CPU 53.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 403 calls) cegterg : 48.02s CPU 48.96s WALL ( 496 calls) Called by sum_band: Called by *egterg: h_psi : 21.61s CPU 22.80s WALL ( 8336 calls) s_psi : 1.19s CPU 1.08s WALL ( 8336 calls) g_psi : 0.06s CPU 0.05s WALL ( 7437 calls) cdiaghg : 24.31s CPU 24.40s WALL ( 7840 calls) cegterg:over : 1.47s CPU 1.41s WALL ( 7437 calls) cegterg:upda : 0.99s CPU 1.00s WALL ( 7437 calls) cegterg:last : 0.55s CPU 0.53s WALL ( 1306 calls) cdiaghg:chol : 1.09s CPU 1.22s WALL ( 7840 calls) cdiaghg:inve : 0.48s CPU 0.46s WALL ( 7840 calls) cdiaghg:para : 1.49s CPU 1.54s WALL ( 15680 calls) Called by h_psi: h_psi:vloc : 19.36s CPU 20.32s WALL ( 8336 calls) h_psi:vnl : 2.22s CPU 2.44s WALL ( 8336 calls) add_vuspsi : 1.25s CPU 1.42s WALL ( 8336 calls) General routines calbec : 0.95s CPU 1.01s WALL ( 8336 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.92s CPU 18.79s WALL ( 473648 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 806 calls) Parallel routines fft_scatter : 8.76s CPU 9.15s WALL ( 473671 calls) PWSCF : 1m 0.41s CPU 2m17.91s WALL This run was terminated on: 21:19:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=