Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 9:45 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: ./NaC.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 56 46 13 1350 992 153 Max 57 47 14 1353 1009 154 Sum 2031 1663 477 48645 36049 5513 bravais-lattice index = 14 lattice parameter (alat) = 8.8399 a.u. unit-cell volume = 487.3241 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.839916 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.598991 celldm(5)= -0.337118 celldm(6)= -0.063891 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.063891 0.997957 0.000000 ) a(3) = ( -0.337118 -0.621800 0.706906 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.064022 0.533206 ) b(2) = ( 0.000000 1.002047 0.881409 ) b(3) = ( 0.000000 0.000000 1.414615 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 412 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( -0.0066129 0.0062030 0.0116573), wk = 0.0024272 k( 3) = ( -0.0132257 0.0124061 0.0233146), wk = 0.0024272 k( 4) = ( -0.0198386 0.0186091 0.0349718), wk = 0.0024272 k( 5) = ( -0.0264515 0.0248121 0.0466291), wk = 0.0024272 k( 6) = ( -0.0330643 0.0310152 0.0582864), wk = 0.0024272 k( 7) = ( -0.0396772 0.0372182 0.0699437), wk = 0.0024272 k( 8) = ( -0.0462900 0.0434212 0.0816009), wk = 0.0024272 k( 9) = ( -0.0529029 0.0496243 0.0932582), wk = 0.0024272 k( 10) = ( -0.0595158 0.0558273 0.1049155), wk = 0.0024272 k( 11) = ( -0.0661286 0.0620303 0.1165728), wk = 0.0024272 k( 12) = ( -0.0727415 0.0682334 0.1282300), wk = 0.0024272 k( 13) = ( -0.0793544 0.0744364 0.1398873), wk = 0.0024272 k( 14) = ( -0.0859672 0.0806394 0.1515446), wk = 0.0024272 k( 15) = ( -0.0925801 0.0868425 0.1632019), wk = 0.0024272 k( 16) = ( -0.0991930 0.0930455 0.1748591), wk = 0.0024272 k( 17) = ( -0.1058058 0.0992485 0.1865164), wk = 0.0024272 k( 18) = ( -0.1124187 0.1054516 0.1981737), wk = 0.0024272 k( 19) = ( -0.1190316 0.1116546 0.2098310), wk = 0.0024272 k( 20) = ( -0.1256444 0.1178576 0.2214882), wk = 0.0024272 k( 21) = ( -0.1322573 0.1240607 0.2331455), wk = 0.0024272 k( 22) = ( -0.1388702 0.1302637 0.2448028), wk = 0.0024272 k( 23) = ( -0.1454830 0.1364668 0.2564601), wk = 0.0024272 k( 24) = ( -0.1520959 0.1426698 0.2681173), wk = 0.0024272 k( 25) = ( -0.1587088 0.1488728 0.2797746), wk = 0.0024272 k( 26) = ( -0.1653216 0.1550759 0.2914319), wk = 0.0024272 k( 27) = ( -0.1719345 0.1612789 0.3030892), wk = 0.0024272 k( 28) = ( -0.1785473 0.1674819 0.3147464), wk = 0.0024272 k( 29) = ( -0.1851602 0.1736850 0.3264037), wk = 0.0024272 k( 30) = ( -0.1917731 0.1798880 0.3380610), wk = 0.0024272 k( 31) = ( -0.1983860 0.1860910 0.3497183), wk = 0.0024272 k( 32) = ( -0.2049988 0.1922941 0.3613755), wk = 0.0024272 k( 33) = ( -0.2116117 0.1984971 0.3730328), wk = 0.0024272 k( 34) = ( -0.2182245 0.2047001 0.3846901), wk = 0.0024272 k( 35) = ( -0.2248374 0.2109032 0.3963474), wk = 0.0024272 k( 36) = ( -0.2314503 0.2171062 0.4080046), wk = 0.0024272 k( 37) = ( -0.2380631 0.2233092 0.4196619), wk = 0.0024272 k( 38) = ( -0.2446760 0.2295123 0.4313192), wk = 0.0024272 k( 39) = ( -0.2512889 0.2357153 0.4429764), wk = 0.0024272 k( 40) = ( -0.2579017 0.2419183 0.4546337), wk = 0.0024272 k( 41) = ( -0.2645146 0.2481214 0.4662910), wk = 0.0024272 k( 42) = ( -0.2711275 0.2543244 0.4779483), wk = 0.0024272 k( 43) = ( -0.2777403 0.2605274 0.4896055), wk = 0.0024272 k( 44) = ( -0.2843532 0.2667305 0.5012628), wk = 0.0024272 k( 45) = ( -0.2909660 0.2729335 0.5129201), wk = 0.0024272 k( 46) = ( -0.2975789 0.2791365 0.5245774), wk = 0.0024272 k( 47) = ( -0.3041918 0.2853396 0.5362346), wk = 0.0024272 k( 48) = ( -0.3108047 0.2915426 0.5478919), wk = 0.0024272 k( 49) = ( -0.3174175 0.2977456 0.5595492), wk = 0.0024272 k( 50) = ( -0.3240304 0.3039487 0.5712065), wk = 0.0024272 k( 51) = ( -0.3306432 0.3101517 0.5828637), wk = 0.0024272 k( 52) = ( -0.3372561 0.3163547 0.5945210), wk = 0.0024272 k( 53) = ( -0.3438690 0.3225578 0.6061783), wk = 0.0024272 k( 54) = ( -0.3504818 0.3287608 0.6178356), wk = 0.0024272 k( 55) = ( -0.3570947 0.3349638 0.6294928), wk = 0.0024272 k( 56) = ( -0.3570947 0.3349638 0.6294928), wk = 0.0024272 k( 57) = ( -0.3489871 0.3273587 0.6381389), wk = 0.0024272 k( 58) = ( -0.3408794 0.3197535 0.6467850), wk = 0.0024272 k( 59) = ( -0.3327718 0.3121483 0.6554311), wk = 0.0024272 k( 60) = ( -0.3246642 0.3045432 0.6640772), wk = 0.0024272 k( 61) = ( -0.3165565 0.2969380 0.6727233), wk = 0.0024272 k( 62) = ( -0.3084489 0.2893328 0.6813694), wk = 0.0024272 k( 63) = ( -0.3003413 0.2817277 0.6900155), wk = 0.0024272 k( 64) = ( -0.2922336 0.2741225 0.6986615), wk = 0.0024272 k( 65) = ( -0.2841260 0.2665173 0.7073076), wk = 0.0024272 k( 66) = ( -0.2841260 0.2665173 0.7073076), wk = 0.0024272 k( 67) = ( -0.2736028 0.2566463 0.7073076), wk = 0.0024272 k( 68) = ( -0.2630796 0.2467753 0.7073076), wk = 0.0024272 k( 69) = ( -0.2525564 0.2369043 0.7073076), wk = 0.0024272 k( 70) = ( -0.2420333 0.2270333 0.7073076), wk = 0.0024272 k( 71) = ( -0.2315101 0.2171623 0.7073076), wk = 0.0024272 k( 72) = ( -0.2209869 0.2072913 0.7073076), wk = 0.0024272 k( 73) = ( -0.2104637 0.1974203 0.7073076), wk = 0.0024272 k( 74) = ( -0.1999405 0.1875492 0.7073076), wk = 0.0024272 k( 75) = ( -0.1894173 0.1776782 0.7073076), wk = 0.0024272 k( 76) = ( -0.1788941 0.1678072 0.7073076), wk = 0.0024272 k( 77) = ( -0.1683709 0.1579362 0.7073076), wk = 0.0024272 k( 78) = ( -0.1578478 0.1480652 0.7073076), wk = 0.0024272 k( 79) = ( -0.1473246 0.1381942 0.7073076), wk = 0.0024272 k( 80) = ( -0.1368014 0.1283232 0.7073076), wk = 0.0024272 k( 81) = ( -0.1262782 0.1184522 0.7073076), wk = 0.0024272 k( 82) = ( -0.1157550 0.1085811 0.7073076), wk = 0.0024272 k( 83) = ( -0.1052319 0.0987101 0.7073076), wk = 0.0024272 k( 84) = ( -0.0947087 0.0888391 0.7073076), wk = 0.0024272 k( 85) = ( -0.0841855 0.0789681 0.7073076), wk = 0.0024272 k( 86) = ( -0.0736623 0.0690971 0.7073076), wk = 0.0024272 k( 87) = ( -0.0631391 0.0592261 0.7073076), wk = 0.0024272 k( 88) = ( -0.0526159 0.0493551 0.7073076), wk = 0.0024272 k( 89) = ( -0.0420927 0.0394841 0.7073076), wk = 0.0024272 k( 90) = ( -0.0315696 0.0296130 0.7073076), wk = 0.0024272 k( 91) = ( -0.0210464 0.0197420 0.7073076), wk = 0.0024272 k( 92) = ( -0.0105232 0.0098710 0.7073076), wk = 0.0024272 k( 93) = ( 0.0000000 0.0000000 0.7073076), wk = 0.0024272 k( 94) = ( 0.0000000 0.0000000 0.7073076), wk = 0.0024272 k( 95) = ( 0.0100000 0.0106607 0.7073076), wk = 0.0024272 k( 96) = ( 0.0200000 0.0213214 0.7073076), wk = 0.0024272 k( 97) = ( 0.0300000 0.0319821 0.7073076), wk = 0.0024272 k( 98) = ( 0.0400000 0.0426428 0.7073076), wk = 0.0024272 k( 99) = ( 0.0500000 0.0533035 0.7073076), wk = 0.0024272 k( 100) = ( 0.0600000 0.0639642 0.7073076), wk = 0.0024272 k( 101) = ( 0.0700000 0.0746249 0.7073076), wk = 0.0024272 k( 102) = ( 0.0800000 0.0852856 0.7073076), wk = 0.0024272 k( 103) = ( 0.0900000 0.0959462 0.7073076), wk = 0.0024272 k( 104) = ( 0.1000000 0.1066069 0.7073076), wk = 0.0024272 k( 105) = ( 0.1100000 0.1172676 0.7073076), wk = 0.0024272 k( 106) = ( 0.1200000 0.1279283 0.7073076), wk = 0.0024272 k( 107) = ( 0.1300000 0.1385890 0.7073076), wk = 0.0024272 k( 108) = ( 0.1400000 0.1492497 0.7073076), wk = 0.0024272 k( 109) = ( 0.1500000 0.1599104 0.7073076), wk = 0.0024272 k( 110) = ( 0.1600000 0.1705711 0.7073076), wk = 0.0024272 k( 111) = ( 0.1700000 0.1812318 0.7073076), wk = 0.0024272 k( 112) = ( 0.1800000 0.1918925 0.7073076), wk = 0.0024272 k( 113) = ( 0.1900000 0.2025532 0.7073076), wk = 0.0024272 k( 114) = ( 0.2000000 0.2132139 0.7073076), wk = 0.0024272 k( 115) = ( 0.2100000 0.2238746 0.7073076), wk = 0.0024272 k( 116) = ( 0.2200000 0.2345353 0.7073076), wk = 0.0024272 k( 117) = ( 0.2300000 0.2451960 0.7073076), wk = 0.0024272 k( 118) = ( 0.2400000 0.2558567 0.7073076), wk = 0.0024272 k( 119) = ( 0.2500000 0.2665173 0.7073076), wk = 0.0024272 k( 120) = ( 0.2500000 0.2665173 0.7073076), wk = 0.0024272 k( 121) = ( 0.2416667 0.2743342 0.6984209), wk = 0.0024272 k( 122) = ( 0.2333333 0.2821511 0.6895341), wk = 0.0024272 k( 123) = ( 0.2250000 0.2899680 0.6806473), wk = 0.0024272 k( 124) = ( 0.2166667 0.2977849 0.6717605), wk = 0.0024272 k( 125) = ( 0.2083333 0.3056017 0.6628737), wk = 0.0024272 k( 126) = ( 0.2000000 0.3134186 0.6539870), wk = 0.0024272 k( 127) = ( 0.1916667 0.3212355 0.6451002), wk = 0.0024272 k( 128) = ( 0.1833333 0.3290524 0.6362134), wk = 0.0024272 k( 129) = ( 0.1750000 0.3368692 0.6273267), wk = 0.0024272 k( 130) = ( 0.1666667 0.3446861 0.6184399), wk = 0.0024272 k( 131) = ( 0.1583333 0.3525030 0.6095531), wk = 0.0024272 k( 132) = ( 0.1500000 0.3603199 0.6006663), wk = 0.0024272 k( 133) = ( 0.1416667 0.3681367 0.5917796), wk = 0.0024272 k( 134) = ( 0.1333333 0.3759536 0.5828928), wk = 0.0024272 k( 135) = ( 0.1250000 0.3837705 0.5740060), wk = 0.0024272 k( 136) = ( 0.1166667 0.3915874 0.5651192), wk = 0.0024272 k( 137) = ( 0.1083333 0.3994043 0.5562325), wk = 0.0024272 k( 138) = ( 0.1000000 0.4072211 0.5473457), wk = 0.0024272 k( 139) = ( 0.0916667 0.4150380 0.5384589), wk = 0.0024272 k( 140) = ( 0.0833333 0.4228549 0.5295721), wk = 0.0024272 k( 141) = ( 0.0750000 0.4306718 0.5206854), wk = 0.0024272 k( 142) = ( 0.0666667 0.4384886 0.5117986), wk = 0.0024272 k( 143) = ( 0.0583333 0.4463055 0.5029118), wk = 0.0024272 k( 144) = ( 0.0500000 0.4541224 0.4940251), wk = 0.0024272 k( 145) = ( 0.0416667 0.4619393 0.4851383), wk = 0.0024272 k( 146) = ( 0.0333333 0.4697562 0.4762515), wk = 0.0024272 k( 147) = ( 0.0250000 0.4775730 0.4673647), wk = 0.0024272 k( 148) = ( 0.0166667 0.4853899 0.4584780), wk = 0.0024272 k( 149) = ( 0.0083333 0.4932068 0.4495912), wk = 0.0024272 k( 150) = ( 0.0000000 0.5010237 0.4407044), wk = 0.0024272 k( 151) = ( 0.0000000 0.5010237 0.4407044), wk = 0.0024272 k( 152) = ( 0.0119032 0.5065590 0.4344115), wk = 0.0024272 k( 153) = ( 0.0238063 0.5120943 0.4281185), wk = 0.0024272 k( 154) = ( 0.0357095 0.5176296 0.4218256), wk = 0.0024272 k( 155) = ( 0.0476126 0.5231650 0.4155326), wk = 0.0024272 k( 156) = ( 0.0595158 0.5287003 0.4092397), wk = 0.0024272 k( 157) = ( 0.0714189 0.5342356 0.4029467), wk = 0.0024272 k( 158) = ( 0.0833221 0.5397709 0.3966538), wk = 0.0024272 k( 159) = ( 0.0952252 0.5453063 0.3903608), wk = 0.0024272 k( 160) = ( 0.1071284 0.5508416 0.3840679), wk = 0.0024272 k( 161) = ( 0.1190316 0.5563769 0.3777749), wk = 0.0024272 k( 162) = ( 0.1309347 0.5619123 0.3714820), wk = 0.0024272 k( 163) = ( 0.1428379 0.5674476 0.3651890), wk = 0.0024272 k( 164) = ( 0.1547410 0.5729829 0.3588961), wk = 0.0024272 k( 165) = ( 0.1666442 0.5785182 0.3526031), wk = 0.0024272 k( 166) = ( 0.1785473 0.5840536 0.3463102), wk = 0.0024272 k( 167) = ( 0.1904505 0.5895889 0.3400172), wk = 0.0024272 k( 168) = ( 0.2023537 0.5951242 0.3337243), wk = 0.0024272 k( 169) = ( 0.2142568 0.6006595 0.3274314), wk = 0.0024272 k( 170) = ( 0.2261600 0.6061949 0.3211384), wk = 0.0024272 k( 171) = ( 0.2380631 0.6117302 0.3148455), wk = 0.0024272 k( 172) = ( 0.2499663 0.6172655 0.3085525), wk = 0.0024272 k( 173) = ( 0.2618695 0.6228009 0.3022596), wk = 0.0024272 k( 174) = ( 0.2737726 0.6283362 0.2959666), wk = 0.0024272 k( 175) = ( 0.2856758 0.6338715 0.2896737), wk = 0.0024272 k( 176) = ( 0.2975789 0.6394068 0.2833807), wk = 0.0024272 k( 177) = ( 0.3094821 0.6449422 0.2770878), wk = 0.0024272 k( 178) = ( 0.3213852 0.6504775 0.2707948), wk = 0.0024272 k( 179) = ( 0.3332884 0.6560128 0.2645019), wk = 0.0024272 k( 180) = ( 0.3451916 0.6615481 0.2582089), wk = 0.0024272 k( 181) = ( 0.3570947 0.6670835 0.2519160), wk = 0.0024272 k( 182) = ( 0.3570947 0.6670835 0.2519160), wk = 0.0024272 k( 183) = ( 0.3635904 0.6609903 0.2404653), wk = 0.0024272 k( 184) = ( 0.3700861 0.6548972 0.2290145), wk = 0.0024272 k( 185) = ( 0.3765818 0.6488041 0.2175638), wk = 0.0024272 k( 186) = ( 0.3830775 0.6427110 0.2061131), wk = 0.0024272 k( 187) = ( 0.3895732 0.6366178 0.1946623), wk = 0.0024272 k( 188) = ( 0.3960689 0.6305247 0.1832116), wk = 0.0024272 k( 189) = ( 0.4025646 0.6244316 0.1717609), wk = 0.0024272 k( 190) = ( 0.4090603 0.6183385 0.1603102), wk = 0.0024272 k( 191) = ( 0.4155560 0.6122453 0.1488594), wk = 0.0024272 k( 192) = ( 0.4220517 0.6061522 0.1374087), wk = 0.0024272 k( 193) = ( 0.4285473 0.6000591 0.1259580), wk = 0.0024272 k( 194) = ( 0.4350430 0.5939660 0.1145073), wk = 0.0024272 k( 195) = ( 0.4415387 0.5878728 0.1030565), wk = 0.0024272 k( 196) = ( 0.4480344 0.5817797 0.0916058), wk = 0.0024272 k( 197) = ( 0.4545301 0.5756866 0.0801551), wk = 0.0024272 k( 198) = ( 0.4610258 0.5695934 0.0687044), wk = 0.0024272 k( 199) = ( 0.4675215 0.5635003 0.0572536), wk = 0.0024272 k( 200) = ( 0.4740172 0.5574072 0.0458029), wk = 0.0024272 k( 201) = ( 0.4805129 0.5513141 0.0343522), wk = 0.0024272 k( 202) = ( 0.4870086 0.5452209 0.0229015), wk = 0.0024272 k( 203) = ( 0.4935043 0.5391278 0.0114507), wk = 0.0024272 k( 204) = ( 0.5000000 0.5330347 0.0000000), wk = 0.0024272 k( 205) = ( 0.5000000 0.5330347 0.0000000), wk = 0.0024272 k( 206) = ( 0.4900000 0.5223740 0.0000000), wk = 0.0024272 k( 207) = ( 0.4800000 0.5117133 0.0000000), wk = 0.0024272 k( 208) = ( 0.4700000 0.5010526 0.0000000), wk = 0.0024272 k( 209) = ( 0.4600000 0.4903919 0.0000000), wk = 0.0024272 k( 210) = ( 0.4500000 0.4797312 0.0000000), wk = 0.0024272 k( 211) = ( 0.4400000 0.4690705 0.0000000), wk = 0.0024272 k( 212) = ( 0.4300000 0.4584098 0.0000000), wk = 0.0024272 k( 213) = ( 0.4200000 0.4477491 0.0000000), wk = 0.0024272 k( 214) = ( 0.4100000 0.4370884 0.0000000), wk = 0.0024272 k( 215) = ( 0.4000000 0.4264278 0.0000000), wk = 0.0024272 k( 216) = ( 0.3900000 0.4157671 0.0000000), wk = 0.0024272 k( 217) = ( 0.3800000 0.4051064 0.0000000), wk = 0.0024272 k( 218) = ( 0.3700000 0.3944457 0.0000000), wk = 0.0024272 k( 219) = ( 0.3600000 0.3837850 0.0000000), wk = 0.0024272 k( 220) = ( 0.3500000 0.3731243 0.0000000), wk = 0.0024272 k( 221) = ( 0.3400000 0.3624636 0.0000000), wk = 0.0024272 k( 222) = ( 0.3300000 0.3518029 0.0000000), wk = 0.0024272 k( 223) = ( 0.3200000 0.3411422 0.0000000), wk = 0.0024272 k( 224) = ( 0.3100000 0.3304815 0.0000000), wk = 0.0024272 k( 225) = ( 0.3000000 0.3198208 0.0000000), wk = 0.0024272 k( 226) = ( 0.2900000 0.3091601 0.0000000), wk = 0.0024272 k( 227) = ( 0.2800000 0.2984994 0.0000000), wk = 0.0024272 k( 228) = ( 0.2700000 0.2878387 0.0000000), wk = 0.0024272 k( 229) = ( 0.2600000 0.2771780 0.0000000), wk = 0.0024272 k( 230) = ( 0.2500000 0.2665173 0.0000000), wk = 0.0024272 k( 231) = ( 0.2400000 0.2558567 0.0000000), wk = 0.0024272 k( 232) = ( 0.2300000 0.2451960 0.0000000), wk = 0.0024272 k( 233) = ( 0.2200000 0.2345353 0.0000000), wk = 0.0024272 k( 234) = ( 0.2100000 0.2238746 0.0000000), wk = 0.0024272 k( 235) = ( 0.2000000 0.2132139 0.0000000), wk = 0.0024272 k( 236) = ( 0.1900000 0.2025532 0.0000000), wk = 0.0024272 k( 237) = ( 0.1800000 0.1918925 0.0000000), wk = 0.0024272 k( 238) = ( 0.1700000 0.1812318 0.0000000), wk = 0.0024272 k( 239) = ( 0.1600000 0.1705711 0.0000000), wk = 0.0024272 k( 240) = ( 0.1500000 0.1599104 0.0000000), wk = 0.0024272 k( 241) = ( 0.1400000 0.1492497 0.0000000), wk = 0.0024272 k( 242) = ( 0.1300000 0.1385890 0.0000000), wk = 0.0024272 k( 243) = ( 0.1200000 0.1279283 0.0000000), wk = 0.0024272 k( 244) = ( 0.1100000 0.1172676 0.0000000), wk = 0.0024272 k( 245) = ( 0.1000000 0.1066069 0.0000000), wk = 0.0024272 k( 246) = ( 0.0900000 0.0959462 0.0000000), wk = 0.0024272 k( 247) = ( 0.0800000 0.0852856 0.0000000), wk = 0.0024272 k( 248) = ( 0.0700000 0.0746249 0.0000000), wk = 0.0024272 k( 249) = ( 0.0600000 0.0639642 0.0000000), wk = 0.0024272 k( 250) = ( 0.0500000 0.0533035 0.0000000), wk = 0.0024272 k( 251) = ( 0.0400000 0.0426428 0.0000000), wk = 0.0024272 k( 252) = ( 0.0300000 0.0319821 0.0000000), wk = 0.0024272 k( 253) = ( 0.0200000 0.0213214 0.0000000), wk = 0.0024272 k( 254) = ( 0.0100000 0.0106607 0.0000000), wk = 0.0024272 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 257) = ( 0.0085406 -0.0080113 0.0091078), wk = 0.0024272 k( 258) = ( 0.0170812 -0.0160226 0.0182157), wk = 0.0024272 k( 259) = ( 0.0256219 -0.0240340 0.0273235), wk = 0.0024272 k( 260) = ( 0.0341625 -0.0320453 0.0364313), wk = 0.0024272 k( 261) = ( 0.0427031 -0.0400566 0.0455392), wk = 0.0024272 k( 262) = ( 0.0512437 -0.0480679 0.0546470), wk = 0.0024272 k( 263) = ( 0.0597844 -0.0560793 0.0637548), wk = 0.0024272 k( 264) = ( 0.0683250 -0.0640906 0.0728627), wk = 0.0024272 k( 265) = ( 0.0768656 -0.0721019 0.0819705), wk = 0.0024272 k( 266) = ( 0.0854063 -0.0801132 0.0910783), wk = 0.0024272 k( 267) = ( 0.0939469 -0.0881245 0.1001862), wk = 0.0024272 k( 268) = ( 0.1024875 -0.0961359 0.1092940), wk = 0.0024272 k( 269) = ( 0.1110281 -0.1041472 0.1184018), wk = 0.0024272 k( 270) = ( 0.1195688 -0.1121585 0.1275097), wk = 0.0024272 k( 271) = ( 0.1281094 -0.1201698 0.1366175), wk = 0.0024272 k( 272) = ( 0.1366500 -0.1281812 0.1457253), wk = 0.0024272 k( 273) = ( 0.1451906 -0.1361925 0.1548332), wk = 0.0024272 k( 274) = ( 0.1537313 -0.1442038 0.1639410), wk = 0.0024272 k( 275) = ( 0.1622719 -0.1522151 0.1730488), wk = 0.0024272 k( 276) = ( 0.1708125 -0.1602264 0.1821567), wk = 0.0024272 k( 277) = ( 0.1793531 -0.1682378 0.1912645), wk = 0.0024272 k( 278) = ( 0.1878938 -0.1762491 0.2003723), wk = 0.0024272 k( 279) = ( 0.1964344 -0.1842604 0.2094802), wk = 0.0024272 k( 280) = ( 0.2049750 -0.1922717 0.2185880), wk = 0.0024272 k( 281) = ( 0.2135156 -0.2002831 0.2276958), wk = 0.0024272 k( 282) = ( 0.2220563 -0.2082944 0.2368037), wk = 0.0024272 k( 283) = ( 0.2305969 -0.2163057 0.2459115), wk = 0.0024272 k( 284) = ( 0.2391375 -0.2243170 0.2550193), wk = 0.0024272 k( 285) = ( 0.2476781 -0.2323283 0.2641271), wk = 0.0024272 k( 286) = ( 0.2562188 -0.2403397 0.2732350), wk = 0.0024272 k( 287) = ( 0.2647594 -0.2483510 0.2823428), wk = 0.0024272 k( 288) = ( 0.2733000 -0.2563623 0.2914506), wk = 0.0024272 k( 289) = ( 0.2818407 -0.2643736 0.3005585), wk = 0.0024272 k( 290) = ( 0.2903813 -0.2723850 0.3096663), wk = 0.0024272 k( 291) = ( 0.2989219 -0.2803963 0.3187742), wk = 0.0024272 k( 292) = ( 0.3074625 -0.2884076 0.3278820), wk = 0.0024272 k( 293) = ( 0.3160032 -0.2964189 0.3369898), wk = 0.0024272 k( 294) = ( 0.3245438 -0.3044302 0.3460976), wk = 0.0024272 k( 295) = ( 0.3330844 -0.3124416 0.3552055), wk = 0.0024272 k( 296) = ( 0.3416250 -0.3204529 0.3643133), wk = 0.0024272 k( 297) = ( 0.3501656 -0.3284642 0.3734211), wk = 0.0024272 k( 298) = ( 0.3587063 -0.3364755 0.3825290), wk = 0.0024272 k( 299) = ( 0.3672469 -0.3444869 0.3916368), wk = 0.0024272 k( 300) = ( 0.3757875 -0.3524982 0.4007446), wk = 0.0024272 k( 301) = ( 0.3843281 -0.3605095 0.4098525), wk = 0.0024272 k( 302) = ( 0.3928688 -0.3685208 0.4189603), wk = 0.0024272 k( 303) = ( 0.4014094 -0.3765322 0.4280681), wk = 0.0024272 k( 304) = ( 0.4099500 -0.3845435 0.4371760), wk = 0.0024272 k( 305) = ( 0.4184907 -0.3925548 0.4462838), wk = 0.0024272 k( 306) = ( 0.4270313 -0.4005661 0.4553916), wk = 0.0024272 k( 307) = ( 0.4270313 -0.4005661 0.4553916), wk = 0.0024272 k( 308) = ( 0.4292425 -0.3874577 0.4496708), wk = 0.0024272 k( 309) = ( 0.4314536 -0.3743493 0.4439499), wk = 0.0024272 k( 310) = ( 0.4336648 -0.3612409 0.4382291), wk = 0.0024272 k( 311) = ( 0.4358760 -0.3481325 0.4325082), wk = 0.0024272 k( 312) = ( 0.4380871 -0.3350241 0.4267873), wk = 0.0024272 k( 313) = ( 0.4402983 -0.3219157 0.4210665), wk = 0.0024272 k( 314) = ( 0.4425095 -0.3088073 0.4153456), wk = 0.0024272 k( 315) = ( 0.4447207 -0.2956989 0.4096247), wk = 0.0024272 k( 316) = ( 0.4469318 -0.2825905 0.4039039), wk = 0.0024272 k( 317) = ( 0.4491430 -0.2694821 0.3981830), wk = 0.0024272 k( 318) = ( 0.4513542 -0.2563737 0.3924622), wk = 0.0024272 k( 319) = ( 0.4535654 -0.2432653 0.3867413), wk = 0.0024272 k( 320) = ( 0.4557765 -0.2301569 0.3810204), wk = 0.0024272 k( 321) = ( 0.4579877 -0.2170485 0.3752996), wk = 0.0024272 k( 322) = ( 0.4601989 -0.2039401 0.3695787), wk = 0.0024272 k( 323) = ( 0.4624101 -0.1908317 0.3638579), wk = 0.0024272 k( 324) = ( 0.4646212 -0.1777233 0.3581370), wk = 0.0024272 k( 325) = ( 0.4668324 -0.1646149 0.3524161), wk = 0.0024272 k( 326) = ( 0.4690436 -0.1515066 0.3466953), wk = 0.0024272 k( 327) = ( 0.4712548 -0.1383981 0.3409744), wk = 0.0024272 k( 328) = ( 0.4734659 -0.1252897 0.3352535), wk = 0.0024272 k( 329) = ( 0.4756771 -0.1121814 0.3295327), wk = 0.0024272 k( 330) = ( 0.4778883 -0.0990730 0.3238118), wk = 0.0024272 k( 331) = ( 0.4800994 -0.0859646 0.3180910), wk = 0.0024272 k( 332) = ( 0.4823106 -0.0728562 0.3123701), wk = 0.0024272 k( 333) = ( 0.4845218 -0.0597478 0.3066492), wk = 0.0024272 k( 334) = ( 0.4867330 -0.0466394 0.3009284), wk = 0.0024272 k( 335) = ( 0.4889441 -0.0335310 0.2952075), wk = 0.0024272 k( 336) = ( 0.4911553 -0.0204226 0.2894867), wk = 0.0024272 k( 337) = ( 0.4933665 -0.0073142 0.2837658), wk = 0.0024272 k( 338) = ( 0.4955776 0.0057942 0.2780449), wk = 0.0024272 k( 339) = ( 0.4977888 0.0189026 0.2723241), wk = 0.0024272 k( 340) = ( 0.5000000 0.0320110 0.2666032), wk = 0.0024272 k( 341) = ( 0.5000000 0.0320110 0.2666032), wk = 0.0024272 k( 342) = ( 0.4934211 0.0381823 0.2782007), wk = 0.0024272 k( 343) = ( 0.4868421 0.0443535 0.2897982), wk = 0.0024272 k( 344) = ( 0.4802632 0.0505247 0.3013957), wk = 0.0024272 k( 345) = ( 0.4736842 0.0566959 0.3129931), wk = 0.0024272 k( 346) = ( 0.4671053 0.0628671 0.3245906), wk = 0.0024272 k( 347) = ( 0.4605263 0.0690383 0.3361881), wk = 0.0024272 k( 348) = ( 0.4539474 0.0752096 0.3477856), wk = 0.0024272 k( 349) = ( 0.4473684 0.0813808 0.3593831), wk = 0.0024272 k( 350) = ( 0.4407895 0.0875520 0.3709806), wk = 0.0024272 k( 351) = ( 0.4342105 0.0937232 0.3825780), wk = 0.0024272 k( 352) = ( 0.4276316 0.0998944 0.3941755), wk = 0.0024272 k( 353) = ( 0.4210526 0.1060657 0.4057730), wk = 0.0024272 k( 354) = ( 0.4144737 0.1122369 0.4173705), wk = 0.0024272 k( 355) = ( 0.4078947 0.1184081 0.4289680), wk = 0.0024272 k( 356) = ( 0.4013158 0.1245793 0.4405655), wk = 0.0024272 k( 357) = ( 0.3947368 0.1307505 0.4521630), wk = 0.0024272 k( 358) = ( 0.3881579 0.1369218 0.4637605), wk = 0.0024272 k( 359) = ( 0.3815789 0.1430930 0.4753579), wk = 0.0024272 k( 360) = ( 0.3750000 0.1492642 0.4869554), wk = 0.0024272 k( 361) = ( 0.3684211 0.1554354 0.4985529), wk = 0.0024272 k( 362) = ( 0.3618421 0.1616066 0.5101504), wk = 0.0024272 k( 363) = ( 0.3552632 0.1677778 0.5217479), wk = 0.0024272 k( 364) = ( 0.3486842 0.1739491 0.5333454), wk = 0.0024272 k( 365) = ( 0.3421053 0.1801203 0.5449428), wk = 0.0024272 k( 366) = ( 0.3355263 0.1862915 0.5565403), wk = 0.0024272 k( 367) = ( 0.3289474 0.1924627 0.5681378), wk = 0.0024272 k( 368) = ( 0.3223684 0.1986339 0.5797353), wk = 0.0024272 k( 369) = ( 0.3157895 0.2048052 0.5913328), wk = 0.0024272 k( 370) = ( 0.3092105 0.2109764 0.6029303), wk = 0.0024272 k( 371) = ( 0.3026316 0.2171476 0.6145277), wk = 0.0024272 k( 372) = ( 0.2960526 0.2233188 0.6261252), wk = 0.0024272 k( 373) = ( 0.2894737 0.2294900 0.6377227), wk = 0.0024272 k( 374) = ( 0.2828947 0.2356613 0.6493202), wk = 0.0024272 k( 375) = ( 0.2763158 0.2418325 0.6609177), wk = 0.0024272 k( 376) = ( 0.2697368 0.2480037 0.6725152), wk = 0.0024272 k( 377) = ( 0.2631579 0.2541749 0.6841127), wk = 0.0024272 k( 378) = ( 0.2565789 0.2603461 0.6957101), wk = 0.0024272 k( 379) = ( 0.2500000 0.2665173 0.7073076), wk = 0.0024272 k( 380) = ( 0.2841260 -0.2665173 0.7073076), wk = 0.0024272 k( 381) = ( 0.2906217 -0.2726105 0.6958569), wk = 0.0024272 k( 382) = ( 0.2971174 -0.2787036 0.6844062), wk = 0.0024272 k( 383) = ( 0.3036131 -0.2847967 0.6729554), wk = 0.0024272 k( 384) = ( 0.3101088 -0.2908899 0.6615047), wk = 0.0024272 k( 385) = ( 0.3166045 -0.2969830 0.6500540), wk = 0.0024272 k( 386) = ( 0.3231002 -0.3030761 0.6386033), wk = 0.0024272 k( 387) = ( 0.3295959 -0.3091692 0.6271525), wk = 0.0024272 k( 388) = ( 0.3360916 -0.3152624 0.6157018), wk = 0.0024272 k( 389) = ( 0.3425872 -0.3213555 0.6042511), wk = 0.0024272 k( 390) = ( 0.3490829 -0.3274486 0.5928004), wk = 0.0024272 k( 391) = ( 0.3555786 -0.3335417 0.5813496), wk = 0.0024272 k( 392) = ( 0.3620743 -0.3396349 0.5698989), wk = 0.0024272 k( 393) = ( 0.3685700 -0.3457280 0.5584482), wk = 0.0024272 k( 394) = ( 0.3750657 -0.3518211 0.5469975), wk = 0.0024272 k( 395) = ( 0.3815614 -0.3579142 0.5355467), wk = 0.0024272 k( 396) = ( 0.3880571 -0.3640074 0.5240960), wk = 0.0024272 k( 397) = ( 0.3945528 -0.3701005 0.5126453), wk = 0.0024272 k( 398) = ( 0.4010485 -0.3761936 0.5011945), wk = 0.0024272 k( 399) = ( 0.4075442 -0.3822867 0.4897438), wk = 0.0024272 k( 400) = ( 0.4140399 -0.3883799 0.4782931), wk = 0.0024272 k( 401) = ( 0.4205356 -0.3944730 0.4668424), wk = 0.0024272 k( 402) = ( 0.4270313 -0.4005661 0.4553916), wk = 0.0024272 k( 403) = ( 0.5729687 0.4645882 0.0778148), wk = 0.0024272 k( 404) = ( 0.5648611 0.4721934 0.0691687), wk = 0.0024272 k( 405) = ( 0.5567534 0.4797985 0.0605226), wk = 0.0024272 k( 406) = ( 0.5486458 0.4874037 0.0518765), wk = 0.0024272 k( 407) = ( 0.5405382 0.4950089 0.0432304), wk = 0.0024272 k( 408) = ( 0.5324305 0.5026140 0.0345843), wk = 0.0024272 k( 409) = ( 0.5243229 0.5102192 0.0259383), wk = 0.0024272 k( 410) = ( 0.5162153 0.5178244 0.0172922), wk = 0.0024272 k( 411) = ( 0.5081076 0.5254295 0.0086461), wk = 0.0024272 k( 412) = ( 0.5000000 0.5330347 0.0000000), wk = 0.0024272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 2) = ( -0.0066129 0.0066129 0.0066129), wk = 0.0024272 k( 3) = ( -0.0132257 0.0132257 0.0132257), wk = 0.0024272 k( 4) = ( -0.0198386 0.0198386 0.0198386), wk = 0.0024272 k( 5) = ( -0.0264515 0.0264515 0.0264515), wk = 0.0024272 k( 6) = ( -0.0330643 0.0330643 0.0330643), wk = 0.0024272 k( 7) = ( -0.0396772 0.0396772 0.0396772), wk = 0.0024272 k( 8) = ( -0.0462900 0.0462900 0.0462900), wk = 0.0024272 k( 9) = ( -0.0529029 0.0529029 0.0529029), wk = 0.0024272 k( 10) = ( -0.0595158 0.0595158 0.0595158), wk = 0.0024272 k( 11) = ( -0.0661286 0.0661286 0.0661287), wk = 0.0024272 k( 12) = ( -0.0727415 0.0727415 0.0727415), wk = 0.0024272 k( 13) = ( -0.0793544 0.0793544 0.0793544), wk = 0.0024272 k( 14) = ( -0.0859672 0.0859672 0.0859672), wk = 0.0024272 k( 15) = ( -0.0925801 0.0925801 0.0925801), wk = 0.0024272 k( 16) = ( -0.0991930 0.0991930 0.0991930), wk = 0.0024272 k( 17) = ( -0.1058058 0.1058058 0.1058058), wk = 0.0024272 k( 18) = ( -0.1124187 0.1124187 0.1124187), wk = 0.0024272 k( 19) = ( -0.1190316 0.1190316 0.1190316), wk = 0.0024272 k( 20) = ( -0.1256444 0.1256444 0.1256444), wk = 0.0024272 k( 21) = ( -0.1322573 0.1322573 0.1322573), wk = 0.0024272 k( 22) = ( -0.1388702 0.1388702 0.1388702), wk = 0.0024272 k( 23) = ( -0.1454830 0.1454830 0.1454830), wk = 0.0024272 k( 24) = ( -0.1520959 0.1520959 0.1520959), wk = 0.0024272 k( 25) = ( -0.1587088 0.1587088 0.1587088), wk = 0.0024272 k( 26) = ( -0.1653216 0.1653216 0.1653216), wk = 0.0024272 k( 27) = ( -0.1719345 0.1719345 0.1719345), wk = 0.0024272 k( 28) = ( -0.1785473 0.1785473 0.1785474), wk = 0.0024272 k( 29) = ( -0.1851602 0.1851602 0.1851602), wk = 0.0024272 k( 30) = ( -0.1917731 0.1917731 0.1917731), wk = 0.0024272 k( 31) = ( -0.1983860 0.1983860 0.1983860), wk = 0.0024272 k( 32) = ( -0.2049988 0.2049988 0.2049988), wk = 0.0024272 k( 33) = ( -0.2116117 0.2116117 0.2116117), wk = 0.0024272 k( 34) = ( -0.2182245 0.2182245 0.2182245), wk = 0.0024272 k( 35) = ( -0.2248374 0.2248374 0.2248374), wk = 0.0024272 k( 36) = ( -0.2314503 0.2314503 0.2314503), wk = 0.0024272 k( 37) = ( -0.2380631 0.2380631 0.2380631), wk = 0.0024272 k( 38) = ( -0.2446760 0.2446760 0.2446760), wk = 0.0024272 k( 39) = ( -0.2512889 0.2512889 0.2512889), wk = 0.0024272 k( 40) = ( -0.2579017 0.2579017 0.2579017), wk = 0.0024272 k( 41) = ( -0.2645146 0.2645146 0.2645146), wk = 0.0024272 k( 42) = ( -0.2711275 0.2711275 0.2711275), wk = 0.0024272 k( 43) = ( -0.2777403 0.2777403 0.2777403), wk = 0.0024272 k( 44) = ( -0.2843532 0.2843532 0.2843532), wk = 0.0024272 k( 45) = ( -0.2909660 0.2909660 0.2909661), wk = 0.0024272 k( 46) = ( -0.2975789 0.2975789 0.2975789), wk = 0.0024272 k( 47) = ( -0.3041918 0.3041918 0.3041918), wk = 0.0024272 k( 48) = ( -0.3108047 0.3108046 0.3108047), wk = 0.0024272 k( 49) = ( -0.3174175 0.3174175 0.3174175), wk = 0.0024272 k( 50) = ( -0.3240304 0.3240304 0.3240304), wk = 0.0024272 k( 51) = ( -0.3306432 0.3306432 0.3306432), wk = 0.0024272 k( 52) = ( -0.3372561 0.3372561 0.3372561), wk = 0.0024272 k( 53) = ( -0.3438690 0.3438690 0.3438690), wk = 0.0024272 k( 54) = ( -0.3504818 0.3504818 0.3504818), wk = 0.0024272 k( 55) = ( -0.3570947 0.3570947 0.3570947), wk = 0.0024272 k( 56) = ( -0.3570947 0.3570947 0.3570947), wk = 0.0024272 k( 57) = ( -0.3489871 0.3489871 0.3652023), wk = 0.0024272 k( 58) = ( -0.3408794 0.3408794 0.3733100), wk = 0.0024272 k( 59) = ( -0.3327718 0.3327718 0.3814176), wk = 0.0024272 k( 60) = ( -0.3246642 0.3246642 0.3895252), wk = 0.0024272 k( 61) = ( -0.3165565 0.3165565 0.3976329), wk = 0.0024272 k( 62) = ( -0.3084489 0.3084489 0.4057405), wk = 0.0024272 k( 63) = ( -0.3003413 0.3003413 0.4138482), wk = 0.0024272 k( 64) = ( -0.2922336 0.2922336 0.4219558), wk = 0.0024272 k( 65) = ( -0.2841260 0.2841260 0.4300634), wk = 0.0024272 k( 66) = ( -0.2841260 0.2841260 0.4300634), wk = 0.0024272 k( 67) = ( -0.2736028 0.2736028 0.4326537), wk = 0.0024272 k( 68) = ( -0.2630796 0.2630796 0.4352439), wk = 0.0024272 k( 69) = ( -0.2525564 0.2525564 0.4378342), wk = 0.0024272 k( 70) = ( -0.2420333 0.2420333 0.4404244), wk = 0.0024272 k( 71) = ( -0.2315101 0.2315101 0.4430146), wk = 0.0024272 k( 72) = ( -0.2209869 0.2209869 0.4456049), wk = 0.0024272 k( 73) = ( -0.2104637 0.2104637 0.4481951), wk = 0.0024272 k( 74) = ( -0.1999405 0.1999405 0.4507854), wk = 0.0024272 k( 75) = ( -0.1894173 0.1894173 0.4533756), wk = 0.0024272 k( 76) = ( -0.1788941 0.1788941 0.4559659), wk = 0.0024272 k( 77) = ( -0.1683709 0.1683709 0.4585561), wk = 0.0024272 k( 78) = ( -0.1578478 0.1578478 0.4611463), wk = 0.0024272 k( 79) = ( -0.1473246 0.1473246 0.4637366), wk = 0.0024272 k( 80) = ( -0.1368014 0.1368014 0.4663268), wk = 0.0024272 k( 81) = ( -0.1262782 0.1262782 0.4689171), wk = 0.0024272 k( 82) = ( -0.1157550 0.1157550 0.4715073), wk = 0.0024272 k( 83) = ( -0.1052319 0.1052319 0.4740976), wk = 0.0024272 k( 84) = ( -0.0947087 0.0947087 0.4766878), wk = 0.0024272 k( 85) = ( -0.0841855 0.0841855 0.4792781), wk = 0.0024272 k( 86) = ( -0.0736623 0.0736623 0.4818683), wk = 0.0024272 k( 87) = ( -0.0631391 0.0631391 0.4844585), wk = 0.0024272 k( 88) = ( -0.0526159 0.0526159 0.4870488), wk = 0.0024272 k( 89) = ( -0.0420927 0.0420927 0.4896390), wk = 0.0024272 k( 90) = ( -0.0315696 0.0315696 0.4922293), wk = 0.0024272 k( 91) = ( -0.0210464 0.0210464 0.4948195), wk = 0.0024272 k( 92) = ( -0.0105232 0.0105232 0.4974098), wk = 0.0024272 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024272 k( 95) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0024272 k( 96) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0024272 k( 97) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0024272 k( 98) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0024272 k( 99) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0024272 k( 100) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0024272 k( 101) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0024272 k( 102) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0024272 k( 103) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0024272 k( 104) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0024272 k( 105) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0024272 k( 106) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0024272 k( 107) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0024272 k( 108) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0024272 k( 109) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0024272 k( 110) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0024272 k( 111) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0024272 k( 112) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0024272 k( 113) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0024272 k( 114) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0024272 k( 115) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0024272 k( 116) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0024272 k( 117) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0024272 k( 118) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0024272 k( 119) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024272 k( 120) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024272 k( 121) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0024272 k( 122) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0024272 k( 123) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0024272 k( 124) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0024272 k( 125) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024272 k( 126) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0024272 k( 127) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0024272 k( 128) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0024272 k( 129) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0024272 k( 130) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024272 k( 131) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0024272 k( 132) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0024272 k( 133) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0024272 k( 134) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0024272 k( 135) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024272 k( 136) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0024272 k( 137) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0024272 k( 138) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0024272 k( 139) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0024272 k( 140) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024272 k( 141) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0024272 k( 142) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0024272 k( 143) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0024272 k( 144) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0024272 k( 145) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024272 k( 146) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0024272 k( 147) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0024272 k( 148) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0024272 k( 149) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0024272 k( 150) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 151) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024272 k( 152) = ( 0.0119032 0.5047635 -0.0119032), wk = 0.0024272 k( 153) = ( 0.0238063 0.5095270 -0.0238063), wk = 0.0024272 k( 154) = ( 0.0357095 0.5142905 -0.0357095), wk = 0.0024272 k( 155) = ( 0.0476126 0.5190540 -0.0476126), wk = 0.0024272 k( 156) = ( 0.0595158 0.5238176 -0.0595158), wk = 0.0024272 k( 157) = ( 0.0714189 0.5285811 -0.0714189), wk = 0.0024272 k( 158) = ( 0.0833221 0.5333446 -0.0833221), wk = 0.0024272 k( 159) = ( 0.0952252 0.5381081 -0.0952253), wk = 0.0024272 k( 160) = ( 0.1071284 0.5428716 -0.1071284), wk = 0.0024272 k( 161) = ( 0.1190316 0.5476351 -0.1190316), wk = 0.0024272 k( 162) = ( 0.1309347 0.5523986 -0.1309347), wk = 0.0024272 k( 163) = ( 0.1428379 0.5571621 -0.1428379), wk = 0.0024272 k( 164) = ( 0.1547410 0.5619256 -0.1547410), wk = 0.0024272 k( 165) = ( 0.1666442 0.5666891 -0.1666442), wk = 0.0024272 k( 166) = ( 0.1785473 0.5714527 -0.1785474), wk = 0.0024272 k( 167) = ( 0.1904505 0.5762162 -0.1904505), wk = 0.0024272 k( 168) = ( 0.2023537 0.5809797 -0.2023537), wk = 0.0024272 k( 169) = ( 0.2142568 0.5857432 -0.2142568), wk = 0.0024272 k( 170) = ( 0.2261600 0.5905067 -0.2261600), wk = 0.0024272 k( 171) = ( 0.2380631 0.5952702 -0.2380631), wk = 0.0024272 k( 172) = ( 0.2499663 0.6000337 -0.2499663), wk = 0.0024272 k( 173) = ( 0.2618695 0.6047972 -0.2618695), wk = 0.0024272 k( 174) = ( 0.2737726 0.6095607 -0.2737726), wk = 0.0024272 k( 175) = ( 0.2856758 0.6143242 -0.2856758), wk = 0.0024272 k( 176) = ( 0.2975789 0.6190878 -0.2975789), wk = 0.0024272 k( 177) = ( 0.3094821 0.6238513 -0.3094821), wk = 0.0024272 k( 178) = ( 0.3213852 0.6286148 -0.3213852), wk = 0.0024272 k( 179) = ( 0.3332884 0.6333783 -0.3332884), wk = 0.0024272 k( 180) = ( 0.3451916 0.6381418 -0.3451915), wk = 0.0024272 k( 181) = ( 0.3570947 0.6429053 -0.3570947), wk = 0.0024272 k( 182) = ( 0.3570947 0.6429053 -0.3570947), wk = 0.0024272 k( 183) = ( 0.3635904 0.6364096 -0.3635904), wk = 0.0024272 k( 184) = ( 0.3700861 0.6299139 -0.3700861), wk = 0.0024272 k( 185) = ( 0.3765818 0.6234182 -0.3765818), wk = 0.0024272 k( 186) = ( 0.3830775 0.6169225 -0.3830775), wk = 0.0024272 k( 187) = ( 0.3895732 0.6104268 -0.3895732), wk = 0.0024272 k( 188) = ( 0.3960689 0.6039311 -0.3960689), wk = 0.0024272 k( 189) = ( 0.4025646 0.5974354 -0.4025646), wk = 0.0024272 k( 190) = ( 0.4090603 0.5909397 -0.4090603), wk = 0.0024272 k( 191) = ( 0.4155560 0.5844440 -0.4155560), wk = 0.0024272 k( 192) = ( 0.4220517 0.5779483 -0.4220517), wk = 0.0024272 k( 193) = ( 0.4285473 0.5714527 -0.4285473), wk = 0.0024272 k( 194) = ( 0.4350430 0.5649570 -0.4350430), wk = 0.0024272 k( 195) = ( 0.4415387 0.5584613 -0.4415387), wk = 0.0024272 k( 196) = ( 0.4480344 0.5519656 -0.4480344), wk = 0.0024272 k( 197) = ( 0.4545301 0.5454699 -0.4545301), wk = 0.0024272 k( 198) = ( 0.4610258 0.5389742 -0.4610258), wk = 0.0024272 k( 199) = ( 0.4675215 0.5324785 -0.4675215), wk = 0.0024272 k( 200) = ( 0.4740172 0.5259828 -0.4740172), wk = 0.0024272 k( 201) = ( 0.4805129 0.5194871 -0.4805129), wk = 0.0024272 k( 202) = ( 0.4870086 0.5129914 -0.4870086), wk = 0.0024272 k( 203) = ( 0.4935043 0.5064957 -0.4935043), wk = 0.0024272 k( 204) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024272 k( 205) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024272 k( 206) = ( 0.4900000 0.4900000 -0.4900000), wk = 0.0024272 k( 207) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0024272 k( 208) = ( 0.4700000 0.4700000 -0.4700000), wk = 0.0024272 k( 209) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0024272 k( 210) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0024272 k( 211) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0024272 k( 212) = ( 0.4300000 0.4300000 -0.4300000), wk = 0.0024272 k( 213) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0024272 k( 214) = ( 0.4100000 0.4100000 -0.4100000), wk = 0.0024272 k( 215) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0024272 k( 216) = ( 0.3900000 0.3900000 -0.3900000), wk = 0.0024272 k( 217) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0024272 k( 218) = ( 0.3700000 0.3700000 -0.3700000), wk = 0.0024272 k( 219) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0024272 k( 220) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0024272 k( 221) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0024272 k( 222) = ( 0.3300000 0.3300000 -0.3300000), wk = 0.0024272 k( 223) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0024272 k( 224) = ( 0.3100000 0.3100000 -0.3100000), wk = 0.0024272 k( 225) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0024272 k( 226) = ( 0.2900000 0.2900000 -0.2900000), wk = 0.0024272 k( 227) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0024272 k( 228) = ( 0.2700000 0.2700000 -0.2700000), wk = 0.0024272 k( 229) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0024272 k( 230) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024272 k( 231) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0024272 k( 232) = ( 0.2300000 0.2300000 -0.2300000), wk = 0.0024272 k( 233) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0024272 k( 234) = ( 0.2100000 0.2100000 -0.2100000), wk = 0.0024272 k( 235) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0024272 k( 236) = ( 0.1900000 0.1900000 -0.1900000), wk = 0.0024272 k( 237) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0024272 k( 238) = ( 0.1700000 0.1700000 -0.1700000), wk = 0.0024272 k( 239) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0024272 k( 240) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0024272 k( 241) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0024272 k( 242) = ( 0.1300000 0.1300000 -0.1300000), wk = 0.0024272 k( 243) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0024272 k( 244) = ( 0.1100000 0.1100000 -0.1100000), wk = 0.0024272 k( 245) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0024272 k( 246) = ( 0.0900000 0.0900000 -0.0900000), wk = 0.0024272 k( 247) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0024272 k( 248) = ( 0.0700000 0.0700000 -0.0700000), wk = 0.0024272 k( 249) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0024272 k( 250) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0024272 k( 251) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0024272 k( 252) = ( 0.0300000 0.0300000 -0.0300000), wk = 0.0024272 k( 253) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0024272 k( 254) = ( 0.0100000 0.0100000 -0.0100000), wk = 0.0024272 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024272 k( 257) = ( 0.0085406 -0.0085406 0.0085406), wk = 0.0024272 k( 258) = ( 0.0170812 -0.0170813 0.0170813), wk = 0.0024272 k( 259) = ( 0.0256219 -0.0256219 0.0256219), wk = 0.0024272 k( 260) = ( 0.0341625 -0.0341625 0.0341625), wk = 0.0024272 k( 261) = ( 0.0427031 -0.0427031 0.0427031), wk = 0.0024272 k( 262) = ( 0.0512437 -0.0512437 0.0512437), wk = 0.0024272 k( 263) = ( 0.0597844 -0.0597844 0.0597844), wk = 0.0024272 k( 264) = ( 0.0683250 -0.0683250 0.0683250), wk = 0.0024272 k( 265) = ( 0.0768656 -0.0768656 0.0768656), wk = 0.0024272 k( 266) = ( 0.0854063 -0.0854063 0.0854063), wk = 0.0024272 k( 267) = ( 0.0939469 -0.0939469 0.0939469), wk = 0.0024272 k( 268) = ( 0.1024875 -0.1024875 0.1024875), wk = 0.0024272 k( 269) = ( 0.1110281 -0.1110281 0.1110281), wk = 0.0024272 k( 270) = ( 0.1195688 -0.1195688 0.1195688), wk = 0.0024272 k( 271) = ( 0.1281094 -0.1281094 0.1281094), wk = 0.0024272 k( 272) = ( 0.1366500 -0.1366500 0.1366500), wk = 0.0024272 k( 273) = ( 0.1451906 -0.1451906 0.1451906), wk = 0.0024272 k( 274) = ( 0.1537313 -0.1537313 0.1537313), wk = 0.0024272 k( 275) = ( 0.1622719 -0.1622719 0.1622719), wk = 0.0024272 k( 276) = ( 0.1708125 -0.1708125 0.1708125), wk = 0.0024272 k( 277) = ( 0.1793531 -0.1793531 0.1793531), wk = 0.0024272 k( 278) = ( 0.1878938 -0.1878938 0.1878938), wk = 0.0024272 k( 279) = ( 0.1964344 -0.1964344 0.1964344), wk = 0.0024272 k( 280) = ( 0.2049750 -0.2049750 0.2049750), wk = 0.0024272 k( 281) = ( 0.2135156 -0.2135156 0.2135156), wk = 0.0024272 k( 282) = ( 0.2220563 -0.2220563 0.2220563), wk = 0.0024272 k( 283) = ( 0.2305969 -0.2305969 0.2305969), wk = 0.0024272 k( 284) = ( 0.2391375 -0.2391375 0.2391375), wk = 0.0024272 k( 285) = ( 0.2476781 -0.2476781 0.2476781), wk = 0.0024272 k( 286) = ( 0.2562188 -0.2562188 0.2562188), wk = 0.0024272 k( 287) = ( 0.2647594 -0.2647594 0.2647594), wk = 0.0024272 k( 288) = ( 0.2733000 -0.2733000 0.2733000), wk = 0.0024272 k( 289) = ( 0.2818407 -0.2818407 0.2818407), wk = 0.0024272 k( 290) = ( 0.2903813 -0.2903813 0.2903813), wk = 0.0024272 k( 291) = ( 0.2989219 -0.2989219 0.2989219), wk = 0.0024272 k( 292) = ( 0.3074625 -0.3074625 0.3074625), wk = 0.0024272 k( 293) = ( 0.3160032 -0.3160032 0.3160032), wk = 0.0024272 k( 294) = ( 0.3245438 -0.3245438 0.3245438), wk = 0.0024272 k( 295) = ( 0.3330844 -0.3330844 0.3330844), wk = 0.0024272 k( 296) = ( 0.3416250 -0.3416250 0.3416250), wk = 0.0024272 k( 297) = ( 0.3501656 -0.3501656 0.3501656), wk = 0.0024272 k( 298) = ( 0.3587063 -0.3587063 0.3587063), wk = 0.0024272 k( 299) = ( 0.3672469 -0.3672469 0.3672469), wk = 0.0024272 k( 300) = ( 0.3757875 -0.3757875 0.3757875), wk = 0.0024272 k( 301) = ( 0.3843281 -0.3843281 0.3843281), wk = 0.0024272 k( 302) = ( 0.3928688 -0.3928688 0.3928688), wk = 0.0024272 k( 303) = ( 0.4014094 -0.4014094 0.4014094), wk = 0.0024272 k( 304) = ( 0.4099500 -0.4099500 0.4099500), wk = 0.0024272 k( 305) = ( 0.4184907 -0.4184907 0.4184907), wk = 0.0024272 k( 306) = ( 0.4270313 -0.4270313 0.4270313), wk = 0.0024272 k( 307) = ( 0.4270313 -0.4270313 0.4270313), wk = 0.0024272 k( 308) = ( 0.4292425 -0.4140909 0.4140909), wk = 0.0024272 k( 309) = ( 0.4314536 -0.4011506 0.4011506), wk = 0.0024272 k( 310) = ( 0.4336648 -0.3882103 0.3882103), wk = 0.0024272 k( 311) = ( 0.4358760 -0.3752699 0.3752699), wk = 0.0024272 k( 312) = ( 0.4380871 -0.3623296 0.3623296), wk = 0.0024272 k( 313) = ( 0.4402983 -0.3493892 0.3493892), wk = 0.0024272 k( 314) = ( 0.4425095 -0.3364489 0.3364489), wk = 0.0024272 k( 315) = ( 0.4447207 -0.3235086 0.3235086), wk = 0.0024272 k( 316) = ( 0.4469318 -0.3105682 0.3105682), wk = 0.0024272 k( 317) = ( 0.4491430 -0.2976279 0.2976279), wk = 0.0024272 k( 318) = ( 0.4513542 -0.2846875 0.2846875), wk = 0.0024272 k( 319) = ( 0.4535654 -0.2717472 0.2717472), wk = 0.0024272 k( 320) = ( 0.4557765 -0.2588068 0.2588068), wk = 0.0024272 k( 321) = ( 0.4579877 -0.2458665 0.2458665), wk = 0.0024272 k( 322) = ( 0.4601989 -0.2329261 0.2329261), wk = 0.0024272 k( 323) = ( 0.4624101 -0.2199858 0.2199858), wk = 0.0024272 k( 324) = ( 0.4646212 -0.2070455 0.2070455), wk = 0.0024272 k( 325) = ( 0.4668324 -0.1941051 0.1941051), wk = 0.0024272 k( 326) = ( 0.4690436 -0.1811648 0.1811648), wk = 0.0024272 k( 327) = ( 0.4712548 -0.1682244 0.1682244), wk = 0.0024272 k( 328) = ( 0.4734659 -0.1552841 0.1552841), wk = 0.0024272 k( 329) = ( 0.4756771 -0.1423438 0.1423438), wk = 0.0024272 k( 330) = ( 0.4778883 -0.1294034 0.1294034), wk = 0.0024272 k( 331) = ( 0.4800994 -0.1164631 0.1164631), wk = 0.0024272 k( 332) = ( 0.4823106 -0.1035227 0.1035227), wk = 0.0024272 k( 333) = ( 0.4845218 -0.0905824 0.0905824), wk = 0.0024272 k( 334) = ( 0.4867330 -0.0776420 0.0776420), wk = 0.0024272 k( 335) = ( 0.4889441 -0.0647017 0.0647017), wk = 0.0024272 k( 336) = ( 0.4911553 -0.0517614 0.0517614), wk = 0.0024272 k( 337) = ( 0.4933665 -0.0388210 0.0388210), wk = 0.0024272 k( 338) = ( 0.4955776 -0.0258807 0.0258807), wk = 0.0024272 k( 339) = ( 0.4977888 -0.0129403 0.0129403), wk = 0.0024272 k( 340) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 341) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024272 k( 342) = ( 0.4934211 0.0065790 0.0065790), wk = 0.0024272 k( 343) = ( 0.4868421 0.0131579 0.0131579), wk = 0.0024272 k( 344) = ( 0.4802632 0.0197368 0.0197368), wk = 0.0024272 k( 345) = ( 0.4736842 0.0263158 0.0263158), wk = 0.0024272 k( 346) = ( 0.4671053 0.0328947 0.0328947), wk = 0.0024272 k( 347) = ( 0.4605263 0.0394737 0.0394737), wk = 0.0024272 k( 348) = ( 0.4539474 0.0460526 0.0460526), wk = 0.0024272 k( 349) = ( 0.4473684 0.0526316 0.0526316), wk = 0.0024272 k( 350) = ( 0.4407895 0.0592105 0.0592105), wk = 0.0024272 k( 351) = ( 0.4342105 0.0657895 0.0657895), wk = 0.0024272 k( 352) = ( 0.4276316 0.0723684 0.0723684), wk = 0.0024272 k( 353) = ( 0.4210526 0.0789474 0.0789474), wk = 0.0024272 k( 354) = ( 0.4144737 0.0855263 0.0855263), wk = 0.0024272 k( 355) = ( 0.4078947 0.0921053 0.0921053), wk = 0.0024272 k( 356) = ( 0.4013158 0.0986842 0.0986842), wk = 0.0024272 k( 357) = ( 0.3947368 0.1052632 0.1052632), wk = 0.0024272 k( 358) = ( 0.3881579 0.1118421 0.1118421), wk = 0.0024272 k( 359) = ( 0.3815789 0.1184210 0.1184210), wk = 0.0024272 k( 360) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0024272 k( 361) = ( 0.3684211 0.1315790 0.1315790), wk = 0.0024272 k( 362) = ( 0.3618421 0.1381579 0.1381579), wk = 0.0024272 k( 363) = ( 0.3552632 0.1447368 0.1447368), wk = 0.0024272 k( 364) = ( 0.3486842 0.1513158 0.1513158), wk = 0.0024272 k( 365) = ( 0.3421053 0.1578947 0.1578947), wk = 0.0024272 k( 366) = ( 0.3355263 0.1644737 0.1644737), wk = 0.0024272 k( 367) = ( 0.3289474 0.1710526 0.1710526), wk = 0.0024272 k( 368) = ( 0.3223684 0.1776316 0.1776316), wk = 0.0024272 k( 369) = ( 0.3157895 0.1842105 0.1842105), wk = 0.0024272 k( 370) = ( 0.3092105 0.1907895 0.1907895), wk = 0.0024272 k( 371) = ( 0.3026316 0.1973684 0.1973684), wk = 0.0024272 k( 372) = ( 0.2960526 0.2039474 0.2039474), wk = 0.0024272 k( 373) = ( 0.2894737 0.2105263 0.2105263), wk = 0.0024272 k( 374) = ( 0.2828947 0.2171053 0.2171053), wk = 0.0024272 k( 375) = ( 0.2763158 0.2236842 0.2236842), wk = 0.0024272 k( 376) = ( 0.2697368 0.2302632 0.2302632), wk = 0.0024272 k( 377) = ( 0.2631579 0.2368421 0.2368421), wk = 0.0024272 k( 378) = ( 0.2565789 0.2434210 0.2434210), wk = 0.0024272 k( 379) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024272 k( 380) = ( 0.2841260 -0.2841260 0.5699366), wk = 0.0024272 k( 381) = ( 0.2906217 -0.2906217 0.5634409), wk = 0.0024272 k( 382) = ( 0.2971174 -0.2971174 0.5569452), wk = 0.0024272 k( 383) = ( 0.3036131 -0.3036131 0.5504495), wk = 0.0024272 k( 384) = ( 0.3101088 -0.3101088 0.5439538), wk = 0.0024272 k( 385) = ( 0.3166045 -0.3166045 0.5374581), wk = 0.0024272 k( 386) = ( 0.3231002 -0.3231002 0.5309624), wk = 0.0024272 k( 387) = ( 0.3295959 -0.3295958 0.5244667), wk = 0.0024272 k( 388) = ( 0.3360916 -0.3360916 0.5179710), wk = 0.0024272 k( 389) = ( 0.3425872 -0.3425872 0.5114753), wk = 0.0024272 k( 390) = ( 0.3490829 -0.3490829 0.5049796), wk = 0.0024272 k( 391) = ( 0.3555786 -0.3555786 0.4984839), wk = 0.0024272 k( 392) = ( 0.3620743 -0.3620743 0.4919882), wk = 0.0024272 k( 393) = ( 0.3685700 -0.3685700 0.4854925), wk = 0.0024272 k( 394) = ( 0.3750657 -0.3750657 0.4789968), wk = 0.0024272 k( 395) = ( 0.3815614 -0.3815614 0.4725011), wk = 0.0024272 k( 396) = ( 0.3880571 -0.3880571 0.4660054), wk = 0.0024272 k( 397) = ( 0.3945528 -0.3945528 0.4595098), wk = 0.0024272 k( 398) = ( 0.4010485 -0.4010485 0.4530141), wk = 0.0024272 k( 399) = ( 0.4075442 -0.4075442 0.4465184), wk = 0.0024272 k( 400) = ( 0.4140399 -0.4140399 0.4400227), wk = 0.0024272 k( 401) = ( 0.4205356 -0.4205356 0.4335270), wk = 0.0024272 k( 402) = ( 0.4270313 -0.4270313 0.4270313), wk = 0.0024272 k( 403) = ( 0.5729687 0.4270313 -0.4270313), wk = 0.0024272 k( 404) = ( 0.5648611 0.4351389 -0.4351389), wk = 0.0024272 k( 405) = ( 0.5567534 0.4432465 -0.4432465), wk = 0.0024272 k( 406) = ( 0.5486458 0.4513542 -0.4513542), wk = 0.0024272 k( 407) = ( 0.5405382 0.4594618 -0.4594618), wk = 0.0024272 k( 408) = ( 0.5324305 0.4675695 -0.4675695), wk = 0.0024272 k( 409) = ( 0.5243229 0.4756771 -0.4756771), wk = 0.0024272 k( 410) = ( 0.5162153 0.4837847 -0.4837847), wk = 0.0024272 k( 411) = ( 0.5081076 0.4918924 -0.4918924), wk = 0.0024272 k( 412) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024272 Dense grid: 48645 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 36049 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 272, 34) NL pseudopotentials 0.12 Mb ( 136, 56) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1351) G-vector shells 0.01 Mb ( 1224) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 272, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./NaC.save/charge-density.dat Starting wfc are 36 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 3.0 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 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.2 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.2 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.6 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.1 secs Computing kpt #: 21 total cpu time spent up to now is 7.3 secs Computing kpt #: 22 total cpu 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38 total cpu time spent up to now is 10.9 secs Computing kpt #: 39 total cpu time spent up to now is 11.1 secs Computing kpt #: 40 total cpu time spent up to now is 11.3 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.7 secs Computing kpt #: 43 total cpu time spent up to now is 11.9 secs Computing kpt #: 44 total cpu time spent up to now is 12.1 secs Computing kpt #: 45 total cpu time spent up to now is 12.3 secs Computing kpt #: 46 total cpu time spent up to now is 12.5 secs Computing kpt #: 47 total cpu time spent up to now is 12.7 secs Computing kpt #: 48 total cpu time spent up to now is 12.9 secs Computing kpt #: 49 total cpu time spent up to now is 13.1 secs Computing kpt #: 50 total cpu time spent up to now is 13.4 secs Computing kpt #: 51 total cpu time spent up to now is 13.6 secs Computing kpt #: 52 total cpu time spent up to now is 13.8 secs Computing kpt #: 53 total cpu time spent up to now is 14.0 secs Computing kpt #: 54 total cpu time spent up to now is 14.2 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.6 secs Computing kpt #: 57 total cpu time spent up to now is 14.9 secs Computing kpt #: 58 total cpu time spent up to now is 15.1 secs Computing kpt #: 59 total cpu time spent up to now is 15.3 secs Computing kpt #: 60 total cpu time spent up to now is 15.6 secs Computing kpt #: 61 total cpu time spent up to now is 15.8 secs Computing kpt #: 62 total cpu time spent up to now is 16.1 secs Computing kpt #: 63 total cpu time spent up to now is 16.3 secs Computing kpt #: 64 total cpu time spent up to now is 16.6 secs Computing kpt #: 65 total cpu time spent up to now is 16.8 secs Computing kpt #: 66 total cpu time spent up to now is 17.0 secs Computing kpt #: 67 total cpu time spent up to now is 17.2 secs Computing kpt #: 68 total cpu time spent up to now is 17.5 secs Computing kpt #: 69 total cpu 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Computing kpt #: 85 total cpu time spent up to now is 21.3 secs Computing kpt #: 86 total cpu time spent up to now is 21.6 secs Computing kpt #: 87 total cpu time spent up to now is 21.8 secs Computing kpt #: 88 total cpu time spent up to now is 22.0 secs Computing kpt #: 89 total cpu time spent up to now is 22.3 secs Computing kpt #: 90 total cpu time spent up to now is 22.5 secs Computing kpt #: 91 total cpu time spent up to now is 22.7 secs Computing kpt #: 92 total cpu time spent up to now is 22.9 secs Computing kpt #: 93 total cpu time spent up to now is 23.1 secs Computing kpt #: 94 total cpu time spent up to now is 23.4 secs Computing kpt #: 95 total cpu time spent up to now is 23.6 secs Computing kpt #: 96 total cpu time spent up to now is 23.8 secs Computing kpt #: 97 total cpu time spent up to now is 24.0 secs Computing kpt #: 98 total cpu time spent up to now is 24.2 secs Computing kpt #: 99 total cpu time spent up to now is 24.5 secs Computing kpt #: 100 total cpu time spent up to now is 24.7 secs Computing kpt #: 101 total cpu time spent up to now is 24.9 secs Computing kpt #: 102 total cpu time spent up to now is 25.2 secs Computing kpt #: 103 total cpu time spent up to now is 25.4 secs Computing kpt #: 104 total cpu time spent up to now is 25.6 secs Computing kpt #: 105 total cpu time spent up to now is 25.8 secs Computing kpt #: 106 total cpu time spent up to now is 26.1 secs Computing kpt #: 107 total cpu time spent up to now is 26.3 secs Computing kpt #: 108 total cpu time spent up to now is 26.5 secs Computing kpt #: 109 total cpu time spent up to now is 26.8 secs Computing kpt #: 110 total cpu time spent up to now is 27.0 secs Computing kpt #: 111 total cpu time spent up to now is 27.2 secs Computing kpt #: 112 total cpu time spent up to now is 27.4 secs Computing kpt #: 113 total cpu time spent up to now is 27.7 secs Computing kpt #: 114 total cpu time spent up to now is 27.9 secs Computing kpt #: 115 total cpu time spent up to now is 28.1 secs Computing kpt #: 116 total cpu time spent up to now is 28.3 secs Computing kpt #: 117 total cpu time spent up to now is 28.6 secs Computing kpt #: 118 total cpu time spent up to now is 28.8 secs Computing kpt #: 119 total cpu time spent up to now is 29.0 secs Computing kpt #: 120 total cpu time spent up to now is 29.2 secs Computing kpt #: 121 total cpu time spent up to now is 29.4 secs Computing kpt #: 122 total cpu time spent up to now is 29.7 secs Computing kpt #: 123 total cpu time spent up to now is 29.9 secs Computing kpt #: 124 total cpu time spent up to now is 30.1 secs Computing kpt #: 125 total cpu time spent up to now is 30.3 secs Computing kpt #: 126 total cpu time spent up to now is 30.6 secs Computing kpt #: 127 total cpu time spent up to now is 30.8 secs Computing kpt #: 128 total cpu time spent up to now is 31.0 secs Computing kpt #: 129 total cpu time spent up to now is 31.3 secs Computing kpt #: 130 total cpu time spent up to now is 31.6 secs Computing kpt #: 131 total cpu time spent up to now is 31.8 secs Computing kpt #: 132 total cpu time spent up to now is 32.1 secs Computing kpt #: 133 total cpu time spent up to now is 32.3 secs Computing kpt #: 134 total cpu time spent up to now is 32.5 secs Computing kpt #: 135 total cpu time spent up to now is 32.8 secs Computing kpt #: 136 total cpu time spent up to now is 33.0 secs Computing kpt #: 137 total cpu time spent up to now is 33.2 secs Computing kpt #: 138 total cpu time spent up to now is 33.4 secs Computing kpt #: 139 total cpu time spent up to now is 33.7 secs Computing kpt #: 140 total cpu time spent up to now is 33.9 secs Computing kpt #: 141 total cpu time spent up to now is 34.3 secs Computing kpt #: 142 total cpu time spent up to now is 34.5 secs Computing kpt #: 143 total cpu time spent up to now is 34.7 secs Computing kpt #: 144 total cpu time spent up to now is 34.9 secs Computing kpt #: 145 total cpu time spent up to now is 35.1 secs Computing kpt #: 146 total cpu time spent up to now is 35.4 secs Computing kpt #: 147 total cpu time spent up to now is 35.6 secs Computing kpt #: 148 total cpu time spent up to now is 35.8 secs Computing kpt #: 149 total cpu time spent up to now is 36.0 secs Computing kpt #: 150 total cpu time spent up to now is 36.2 secs Computing kpt #: 151 total cpu time spent up to now is 36.4 secs Computing kpt #: 152 total cpu time spent up to now is 36.6 secs Computing kpt #: 153 total cpu time spent up to now is 36.8 secs Computing kpt #: 154 total cpu time spent up to now is 37.0 secs Computing kpt #: 155 total cpu time spent up to now is 37.3 secs Computing kpt #: 156 total cpu time spent up to now is 37.5 secs Computing kpt #: 157 total cpu time spent up to now is 37.7 secs Computing kpt #: 158 total cpu time spent up to now is 37.9 secs Computing kpt #: 159 total cpu time spent up to now is 38.1 secs Computing kpt #: 160 total cpu time spent up to now is 38.3 secs Computing kpt #: 161 total cpu time spent up to now is 38.5 secs Computing kpt #: 162 total cpu time spent up to now is 38.8 secs Computing kpt #: 163 total cpu time spent up to now is 39.0 secs Computing kpt #: 164 total cpu time spent up to now is 39.2 secs Computing kpt #: 165 total cpu time spent up to now is 39.4 secs Computing kpt #: 166 total cpu time spent up to now is 39.7 secs Computing kpt #: 167 total cpu time spent up to now is 39.9 secs Computing kpt #: 168 total cpu time spent up to now is 40.1 secs Computing kpt #: 169 total cpu time spent up to now is 40.3 secs Computing kpt #: 170 total cpu time spent up to now is 40.6 secs Computing kpt #: 171 total cpu time spent up to now is 40.8 secs Computing kpt #: 172 total cpu time spent up to now is 41.0 secs Computing kpt #: 173 total cpu time spent up to now is 41.2 secs Computing kpt #: 174 total cpu time spent up to now is 41.5 secs Computing kpt #: 175 total cpu time spent up to now is 41.7 secs Computing kpt #: 176 total cpu time spent up to now is 41.9 secs Computing kpt #: 177 total cpu time spent up to now is 42.1 secs Computing kpt #: 178 total cpu time spent up to now is 42.4 secs Computing kpt #: 179 total cpu time spent up to now is 42.6 secs Computing kpt #: 180 total cpu time spent up to now is 42.8 secs Computing kpt #: 181 total cpu time spent up to now is 43.0 secs Computing kpt #: 182 total cpu time spent up to now is 43.3 secs Computing kpt #: 183 total cpu time spent up to now is 43.5 secs Computing kpt #: 184 total cpu time spent up to now is 43.7 secs Computing kpt #: 185 total cpu time spent up to now is 44.0 secs Computing kpt #: 186 total cpu time spent up to now is 44.2 secs Computing kpt #: 187 total cpu time spent up to now is 44.4 secs Computing kpt #: 188 total cpu time spent up to now is 44.6 secs Computing kpt #: 189 total cpu time spent up to now is 44.9 secs Computing kpt #: 190 total cpu time spent up to now is 45.2 secs Computing kpt #: 191 total cpu time spent up to now is 45.4 secs Computing kpt #: 192 total cpu time spent up to now is 45.6 secs Computing kpt #: 193 total cpu time spent up to now is 45.8 secs Computing kpt #: 194 total cpu time spent up to now is 46.0 secs Computing kpt #: 195 total cpu time spent up to now is 46.2 secs Computing kpt #: 196 total cpu time spent up to now is 46.4 secs Computing kpt #: 197 total cpu time spent up to now is 46.6 secs Computing kpt #: 198 total cpu time spent up to now is 46.8 secs Computing kpt #: 199 total cpu time spent up to now is 47.0 secs Computing kpt #: 200 total cpu time spent up to now is 47.3 secs Computing kpt #: 201 total cpu time spent up to now is 47.5 secs Computing kpt #: 202 total cpu time spent up to now is 47.7 secs Computing kpt #: 203 total cpu time spent up to now is 47.9 secs Computing kpt #: 204 total cpu time spent up to now is 48.1 secs Computing kpt #: 205 total cpu time spent up to now is 48.3 secs Computing kpt #: 206 total cpu time spent up to now is 48.5 secs Computing kpt #: 207 total cpu time spent up to now is 48.7 secs Computing kpt #: 208 total cpu time spent up to now is 49.0 secs Computing kpt #: 209 total cpu time spent up to now is 49.2 secs Computing kpt #: 210 total cpu time spent up to now is 49.4 secs Computing kpt #: 211 total cpu time spent up to now is 49.6 secs Computing kpt #: 212 total cpu time spent up to now is 49.8 secs Computing kpt #: 213 total cpu time spent up to now is 50.0 secs Computing kpt #: 214 total cpu time spent up to now is 50.2 secs Computing kpt #: 215 total cpu time spent up to now is 50.4 secs Computing kpt #: 216 total cpu time spent up to now is 50.7 secs Computing kpt #: 217 total cpu time spent up to now is 50.9 secs Computing kpt #: 218 total cpu time spent up to now is 51.1 secs Computing kpt #: 219 total cpu time spent up to now is 51.3 secs Computing kpt #: 220 total cpu time spent up to now is 51.5 secs Computing kpt #: 221 total cpu time spent up to now is 51.7 secs Computing kpt #: 222 total cpu time spent up to now is 51.9 secs Computing kpt #: 223 total cpu time spent up to now is 52.1 secs Computing kpt #: 224 total cpu time spent up to now is 52.3 secs Computing kpt #: 225 total cpu time spent up to now is 52.5 secs Computing kpt #: 226 total cpu time spent up to now is 52.7 secs Computing kpt #: 227 total cpu time spent up to now is 52.9 secs Computing kpt #: 228 total cpu time spent up to now is 53.2 secs Computing kpt #: 229 total cpu time spent up to now is 53.4 secs Computing kpt #: 230 total cpu time spent up to now is 53.6 secs Computing kpt #: 231 total cpu time spent up to now is 53.8 secs Computing kpt #: 232 total cpu time spent up to now is 54.0 secs Computing kpt #: 233 total cpu time spent up to now is 54.2 secs Computing kpt #: 234 total cpu time spent up to now is 54.4 secs Computing kpt #: 235 total cpu time spent up to now is 54.6 secs Computing kpt #: 236 total cpu time spent up to now is 54.8 secs Computing kpt #: 237 total cpu time spent up to now is 55.0 secs Computing kpt #: 238 total cpu time spent up to now is 55.2 secs Computing kpt #: 239 total cpu time spent up to now is 55.4 secs Computing kpt #: 240 total cpu time spent up to now is 55.7 secs Computing kpt #: 241 total cpu time spent up to now is 55.9 secs Computing kpt #: 242 total cpu time spent up to now is 56.1 secs Computing kpt #: 243 total cpu time spent up to now is 56.3 secs Computing kpt #: 244 total cpu time spent up to now is 56.5 secs Computing kpt #: 245 total cpu time spent up to now is 56.7 secs Computing kpt #: 246 total cpu time spent up to now is 56.9 secs Computing kpt #: 247 total cpu time spent up to now is 57.1 secs Computing kpt #: 248 total cpu time spent up to now is 57.4 secs Computing kpt #: 249 total cpu time spent up to now is 57.6 secs Computing kpt #: 250 total cpu time spent up to now is 57.8 secs Computing kpt #: 251 total cpu time spent up to now is 58.0 secs Computing kpt #: 252 total cpu time spent up to now is 58.3 secs Computing kpt #: 253 total cpu time spent up to now is 58.5 secs Computing kpt #: 254 total cpu time spent up to now is 58.7 secs Computing kpt #: 255 total cpu time spent up to now is 59.0 secs Computing kpt #: 256 total cpu time spent up to now is 59.2 secs Computing kpt #: 257 total cpu time spent up to now is 59.4 secs Computing kpt #: 258 total cpu time spent up to now is 59.7 secs Computing kpt #: 259 total cpu time spent up to now is 59.9 secs Computing kpt #: 260 total cpu time spent up to now is 60.2 secs Computing kpt #: 261 total cpu time spent up to now is 60.4 secs Computing kpt #: 262 total cpu time spent up to now is 60.7 secs Computing kpt #: 263 total cpu time spent up to now is 60.9 secs Computing kpt #: 264 total cpu time spent up to now is 61.1 secs Computing kpt #: 265 total cpu time spent up to now is 61.4 secs Computing kpt #: 266 total cpu time spent up to now is 61.6 secs Computing kpt #: 267 total cpu time spent up to now is 61.8 secs Computing kpt #: 268 total cpu time spent up to now is 62.1 secs Computing kpt #: 269 total cpu time spent up to now is 62.3 secs Computing kpt #: 270 total cpu time spent up to now is 62.5 secs Computing kpt #: 271 total cpu time spent up to now is 62.7 secs Computing kpt #: 272 total cpu time spent up to now is 63.0 secs Computing kpt #: 273 total cpu time spent up to now is 63.2 secs Computing kpt #: 274 total cpu time spent up to now is 63.4 secs Computing kpt #: 275 total cpu time spent up to now is 63.6 secs Computing kpt #: 276 total cpu time spent up to now is 63.8 secs Computing kpt #: 277 total cpu time spent up to now is 64.0 secs Computing kpt #: 278 total cpu time spent up to now is 64.2 secs Computing kpt #: 279 total cpu time spent up to now is 64.4 secs Computing kpt #: 280 total cpu time spent up to now is 64.6 secs Computing kpt #: 281 total cpu time spent up to now is 64.8 secs Computing kpt #: 282 total cpu time spent up to now is 65.0 secs Computing kpt #: 283 total cpu time spent up to now is 65.2 secs Computing kpt #: 284 total cpu time spent up to now is 65.5 secs Computing kpt #: 285 total cpu time spent up to now is 65.7 secs Computing kpt #: 286 total cpu time spent up to now is 65.9 secs Computing kpt #: 287 total cpu time spent up to now is 66.1 secs Computing kpt #: 288 total cpu time spent up to now is 66.3 secs Computing kpt #: 289 total cpu time spent up to now is 66.5 secs Computing kpt #: 290 total cpu time spent up to now is 66.7 secs Computing kpt #: 291 total cpu time spent up to now is 66.9 secs Computing kpt #: 292 total cpu time spent up to now is 67.1 secs Computing kpt #: 293 total cpu time spent up to now is 67.3 secs Computing kpt #: 294 total cpu time spent up to now is 67.5 secs Computing kpt #: 295 total cpu time spent up to now is 67.7 secs Computing kpt #: 296 total cpu time spent up to now is 67.9 secs Computing kpt #: 297 total cpu time spent up to now is 68.1 secs Computing kpt #: 298 total cpu time spent up to now is 68.3 secs Computing kpt #: 299 total cpu time spent up to now is 68.5 secs Computing kpt #: 300 total cpu time spent up to now is 68.7 secs Computing kpt #: 301 total cpu time spent up to now is 69.0 secs Computing kpt #: 302 total cpu time spent up to now is 69.4 secs Computing kpt #: 303 total cpu time spent up to now is 69.6 secs Computing kpt #: 304 total cpu time spent up to now is 69.8 secs Computing kpt #: 305 total cpu time spent up to now is 70.0 secs Computing kpt #: 306 total cpu time spent up to now is 70.2 secs Computing kpt #: 307 total cpu time spent up to now is 70.4 secs Computing kpt #: 308 total cpu time spent up to now is 70.6 secs Computing kpt #: 309 total cpu time spent up to now is 70.8 secs Computing kpt #: 310 total cpu time spent up to now is 71.0 secs Computing kpt #: 311 total cpu time spent up to now is 71.3 secs Computing kpt #: 312 total cpu time spent up to now is 71.5 secs Computing kpt #: 313 total cpu time spent up to now is 71.7 secs Computing kpt #: 314 total cpu time spent up to now is 71.9 secs Computing kpt #: 315 total cpu time spent up to now is 72.1 secs Computing kpt #: 316 total cpu time spent up to now is 72.4 secs Computing kpt #: 317 total cpu time spent up to now is 72.6 secs Computing kpt #: 318 total cpu time spent up to now is 72.8 secs Computing kpt #: 319 total cpu time spent up to now is 73.1 secs Computing kpt #: 320 total cpu time spent up to now is 73.3 secs Computing kpt #: 321 total cpu time spent up to now is 73.5 secs Computing kpt #: 322 total cpu time spent up to now is 73.7 secs Computing kpt #: 323 total cpu time spent up to now is 73.9 secs Computing kpt #: 324 total cpu time spent up to now is 74.2 secs Computing kpt #: 325 total cpu time spent up to now is 74.4 secs Computing kpt #: 326 total cpu time spent up to now is 74.6 secs Computing kpt #: 327 total cpu time spent up to now is 74.8 secs Computing kpt #: 328 total cpu time spent up to now is 75.1 secs Computing kpt #: 329 total cpu time spent up to now is 75.3 secs Computing kpt #: 330 total cpu time spent up to now is 75.5 secs Computing kpt #: 331 total cpu time spent up to now is 75.8 secs Computing kpt #: 332 total cpu time spent up to now is 76.0 secs Computing kpt #: 333 total cpu time spent up to now is 76.2 secs Computing kpt #: 334 total cpu time spent up to now is 76.4 secs Computing kpt #: 335 total cpu time spent up to now is 76.7 secs Computing kpt #: 336 total cpu time spent up to now is 76.9 secs Computing kpt #: 337 total cpu time spent up to now is 77.1 secs Computing kpt #: 338 total cpu time spent up to now is 77.3 secs Computing kpt #: 339 total cpu time spent up to now is 77.6 secs Computing kpt #: 340 total cpu time spent up to now is 77.8 secs Computing kpt #: 341 total cpu time spent up to now is 78.0 secs Computing kpt #: 342 total cpu time spent up to now is 78.2 secs Computing kpt #: 343 total cpu time spent up to now is 78.4 secs Computing kpt #: 344 total cpu time spent up to now is 78.7 secs Computing kpt #: 345 total cpu time spent up to now is 78.9 secs Computing kpt #: 346 total cpu time spent up to now is 79.1 secs Computing kpt #: 347 total cpu time spent up to now is 79.3 secs Computing kpt #: 348 total cpu time spent up to now is 79.6 secs Computing kpt #: 349 total cpu time spent up to now is 79.8 secs Computing kpt #: 350 total cpu time spent up to now is 80.0 secs Computing kpt #: 351 total cpu time spent up to now is 80.3 secs Computing kpt #: 352 total cpu time spent up to now is 80.5 secs Computing kpt #: 353 total cpu time spent up to now is 80.7 secs Computing kpt #: 354 total cpu time spent up to now is 81.0 secs Computing kpt #: 355 total cpu time spent up to now is 81.2 secs Computing kpt #: 356 total cpu time spent up to now is 81.4 secs Computing kpt #: 357 total cpu time spent up to now is 81.7 secs Computing kpt #: 358 total cpu time spent up to now is 81.9 secs Computing kpt #: 359 total cpu time spent up to now is 82.2 secs Computing kpt #: 360 total cpu time spent up to now is 82.4 secs Computing kpt #: 361 total cpu time spent up to now is 82.7 secs Computing kpt #: 362 total cpu time spent up to now is 83.0 secs Computing kpt #: 363 total cpu time spent up to now is 83.3 secs Computing kpt #: 364 total cpu time spent up to now is 83.6 secs Computing kpt #: 365 total cpu time spent up to now is 83.8 secs Computing kpt #: 366 total cpu time spent up to now is 84.1 secs Computing kpt #: 367 total cpu time spent up to now is 84.4 secs Computing kpt #: 368 total cpu time spent up to now is 84.6 secs Computing kpt #: 369 total cpu time spent up to now is 84.9 secs Computing kpt #: 370 total cpu time spent up to now is 85.1 secs Computing kpt #: 371 total cpu time spent up to now is 85.3 secs Computing kpt #: 372 total cpu time spent up to now is 85.6 secs Computing kpt #: 373 total cpu time spent up to now is 85.8 secs Computing kpt #: 374 total cpu time spent up to now is 86.0 secs Computing kpt #: 375 total cpu time spent up to now is 86.3 secs Computing kpt #: 376 total cpu time spent up to now is 86.5 secs Computing kpt #: 377 total cpu time spent up to now is 86.7 secs Computing kpt #: 378 total cpu time spent up to now is 86.9 secs Computing kpt #: 379 total cpu time spent up to now is 87.1 secs Computing kpt #: 380 total cpu time spent up to now is 87.4 secs Computing kpt #: 381 total cpu time spent up to now is 87.6 secs Computing kpt #: 382 total cpu time spent up to now is 87.8 secs Computing kpt #: 383 total cpu time spent up to now is 88.0 secs Computing kpt #: 384 total cpu time spent up to now is 88.3 secs Computing kpt #: 385 total cpu time spent up to now is 88.5 secs Computing kpt #: 386 total cpu time spent up to now is 88.7 secs Computing kpt #: 387 total cpu time spent up to now is 88.9 secs Computing kpt #: 388 total cpu time spent up to now is 89.1 secs Computing kpt #: 389 total cpu time spent up to now is 89.3 secs Computing kpt #: 390 total cpu time spent up to now is 89.5 secs Computing kpt #: 391 total cpu time spent up to now is 89.7 secs Computing kpt #: 392 total cpu time spent up to now is 89.9 secs Computing kpt #: 393 total cpu time spent up to now is 90.1 secs Computing kpt #: 394 total cpu time spent up to now is 90.4 secs Computing kpt #: 395 total cpu time spent up to now is 90.6 secs Computing kpt #: 396 total cpu time spent up to now is 90.8 secs Computing kpt #: 397 total cpu time spent up to now is 91.0 secs Computing kpt #: 398 total cpu time spent up to now is 91.2 secs Computing kpt #: 399 total cpu time spent up to now is 91.4 secs Computing kpt #: 400 total cpu time spent up to now is 91.6 secs Computing kpt #: 401 total cpu time spent up to now is 91.8 secs Computing kpt #: 402 total cpu time spent up to now is 92.0 secs Computing kpt #: 403 total cpu time spent up to now is 92.2 secs Computing kpt #: 404 total cpu time spent up to now is 92.4 secs Computing kpt #: 405 total cpu time spent up to now is 92.6 secs Computing kpt #: 406 total cpu time spent up to now is 92.9 secs Computing kpt #: 407 total cpu time spent up to now is 93.1 secs Computing kpt #: 408 total cpu time spent up to now is 93.3 secs Computing kpt #: 409 total cpu time spent up to now is 93.5 secs Computing kpt #: 410 total cpu time spent up to now is 93.7 secs Computing kpt #: 411 total cpu time spent up to now is 93.9 secs Computing kpt #: 412 total cpu time spent up to now is 94.1 secs ethr = 3.85E-08, avg # of iterations = 14.3 total cpu time spent up to now is 94.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9074 -20.9074 -20.7785 -20.7785 -20.7690 -20.7690 -20.7387 -20.7387 -20.7139 -20.7139 -11.0442 -11.0442 -1.2309 -1.2309 -0.4731 -0.4731 0.1403 0.1403 0.2334 0.2334 5.8720 5.8720 6.8707 6.8707 7.4161 7.4161 10.2179 10.2179 k =-0.0066 0.0062 0.0117 ( 4537 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9075 -20.9075 -20.7785 -20.7785 -20.7691 -20.7691 -20.7387 -20.7387 -20.7139 -20.7139 -11.0440 -11.0440 -1.2308 -1.2308 -0.4741 -0.4741 0.1401 0.1401 0.2340 0.2340 5.8729 5.8729 6.8710 6.8710 7.4126 7.4126 10.2205 10.2205 k =-0.0132 0.0124 0.0233 ( 4535 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9075 -20.9075 -20.7785 -20.7785 -20.7690 -20.7690 -20.7388 -20.7388 -20.7139 -20.7139 -11.0435 -11.0435 -1.2306 -1.2306 -0.4772 -0.4772 0.1396 0.1396 0.2358 0.2358 5.8756 5.8756 6.8721 6.8721 7.4023 7.4023 10.2282 10.2282 k =-0.0198 0.0186 0.0350 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9517 -20.9517 -20.9076 -20.9076 -20.7784 -20.7784 -20.7690 -20.7690 -20.7390 -20.7390 -20.7140 -20.7140 -11.0427 -11.0427 -1.2303 -1.2303 -0.4822 -0.4822 0.1389 0.1389 0.2387 0.2387 5.8800 5.8800 6.8739 6.8739 7.3853 7.3853 10.2410 10.2410 k =-0.0265 0.0248 0.0466 ( 4541 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9517 -20.9517 -20.9078 -20.9078 -20.7784 -20.7784 -20.7689 -20.7689 -20.7392 -20.7392 -20.7140 -20.7140 -11.0415 -11.0415 -1.2298 -1.2298 -0.4891 -0.4891 0.1377 0.1377 0.2427 0.2427 5.8862 5.8862 6.8762 6.8762 7.3620 7.3620 10.2590 10.2590 k =-0.0331 0.0310 0.0583 ( 4537 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9516 -20.9516 -20.9080 -20.9080 -20.7783 -20.7783 -20.7688 -20.7688 -20.7394 -20.7394 -20.7141 -20.7141 -11.0400 -11.0400 -1.2292 -1.2292 -0.4978 -0.4978 0.1363 0.1363 0.2478 0.2478 5.8942 5.8942 6.8791 6.8791 7.3328 7.3328 10.2820 10.2820 k =-0.0397 0.0372 0.0699 ( 4549 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9516 -20.9516 -20.9082 -20.9082 -20.7784 -20.7784 -20.7688 -20.7688 -20.7397 -20.7397 -20.7141 -20.7141 -11.0382 -11.0382 -1.2285 -1.2285 -0.5083 -0.5083 0.1345 0.1345 0.2540 0.2540 5.9040 5.9040 6.8825 6.8825 7.2983 7.2983 10.3101 10.3101 k =-0.0463 0.0434 0.0816 ( 4549 PWs) bands (ev): -48.8821 -48.8821 -48.8725 -48.8725 -20.9515 -20.9515 -20.9085 -20.9085 -20.7783 -20.7783 -20.7687 -20.7687 -20.7401 -20.7401 -20.7142 -20.7142 -11.0360 -11.0360 -1.2278 -1.2278 -0.5203 -0.5203 0.1323 0.1323 0.2611 0.2611 5.9155 5.9155 6.8862 6.8862 7.2590 7.2590 10.3433 10.3433 k =-0.0529 0.0496 0.0933 ( 4545 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9514 -20.9514 -20.9087 -20.9087 -20.7782 -20.7782 -20.7685 -20.7685 -20.7405 -20.7405 -20.7143 -20.7143 -11.0336 -11.0336 -1.2270 -1.2270 -0.5338 -0.5338 0.1298 0.1298 0.2691 0.2691 5.9287 5.9287 6.8901 6.8901 7.2156 7.2156 10.3813 10.3813 k =-0.0595 0.0558 0.1049 ( 4533 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9512 -20.9512 -20.9090 -20.9090 -20.7781 -20.7781 -20.7683 -20.7683 -20.7409 -20.7409 -20.7143 -20.7143 -11.0309 -11.0309 -1.2261 -1.2261 -0.5485 -0.5485 0.1269 0.1269 0.2780 0.2780 5.9437 5.9437 6.8941 6.8941 7.1688 7.1688 10.4243 10.4243 k =-0.0661 0.0620 0.1166 ( 4517 PWs) bands (ev): -48.8819 -48.8819 -48.8725 -48.8725 -20.9510 -20.9510 -20.9093 -20.9093 -20.7779 -20.7779 -20.7680 -20.7680 -20.7413 -20.7413 -20.7143 -20.7143 -11.0279 -11.0279 -1.2252 -1.2252 -0.5644 -0.5644 0.1235 0.1235 0.2877 0.2877 5.9604 5.9604 6.8981 6.8981 7.1190 7.1190 10.4720 10.4720 k =-0.0727 0.0682 0.1282 ( 4513 PWs) bands (ev): -48.8819 -48.8819 -48.8725 -48.8725 -20.9509 -20.9509 -20.9097 -20.9097 -20.7778 -20.7778 -20.7678 -20.7678 -20.7418 -20.7418 -20.7144 -20.7144 -11.0247 -11.0247 -1.2244 -1.2244 -0.5813 -0.5813 0.1198 0.1198 0.2982 0.2982 5.9789 5.9789 6.9019 6.9019 7.0670 7.0670 10.5242 10.5242 k =-0.0794 0.0744 0.1399 ( 4525 PWs) bands (ev): -48.8818 -48.8818 -48.8726 -48.8726 -20.9508 -20.9508 -20.9101 -20.9101 -20.7777 -20.7777 -20.7676 -20.7676 -20.7425 -20.7425 -20.7145 -20.7145 -11.0212 -11.0212 -1.2236 -1.2236 -0.5989 -0.5989 0.1155 0.1155 0.3092 0.3092 5.9990 5.9990 6.9053 6.9053 7.0134 7.0134 10.5808 10.5808 k =-0.0860 0.0806 0.1515 ( 4529 PWs) bands (ev): -48.8818 -48.8818 -48.8726 -48.8726 -20.9506 -20.9506 -20.9106 -20.9106 -20.7776 -20.7776 -20.7674 -20.7674 -20.7431 -20.7431 -20.7146 -20.7146 -11.0175 -11.0175 -1.2229 -1.2229 -0.6172 -0.6172 0.1108 0.1108 0.3210 0.3210 6.0208 6.0208 6.9084 6.9084 6.9587 6.9587 10.6412 10.6412 k =-0.0926 0.0868 0.1632 ( 4529 PWs) bands (ev): -48.8817 -48.8817 -48.8727 -48.8727 -20.9504 -20.9504 -20.9111 -20.9111 -20.7775 -20.7775 -20.7670 -20.7670 -20.7438 -20.7438 -20.7147 -20.7147 -11.0136 -11.0136 -1.2223 -1.2223 -0.6359 -0.6359 0.1056 0.1056 0.3332 0.3332 6.0443 6.0443 6.9034 6.9034 6.9110 6.9110 10.6443 10.6443 k =-0.0992 0.0930 0.1749 ( 4519 PWs) bands (ev): -48.8817 -48.8817 -48.8727 -48.8727 -20.9503 -20.9503 -20.9115 -20.9115 -20.7775 -20.7775 -20.7667 -20.7667 -20.7444 -20.7444 -20.7148 -20.7148 -11.0095 -11.0095 -1.2219 -1.2219 -0.6549 -0.6549 0.0998 0.0998 0.3460 0.3460 6.0695 6.0695 6.8482 6.8482 6.9127 6.9127 10.5467 10.5467 k =-0.1058 0.0992 0.1865 ( 4523 PWs) bands (ev): -48.8816 -48.8816 -48.8728 -48.8728 -20.9501 -20.9501 -20.9121 -20.9121 -20.7774 -20.7774 -20.7664 -20.7664 -20.7452 -20.7452 -20.7149 -20.7149 -11.0052 -11.0052 -1.2217 -1.2217 -0.6741 -0.6741 0.0935 0.0935 0.3593 0.3593 6.0962 6.0962 6.7934 6.7934 6.9138 6.9138 10.4498 10.4498 k =-0.1124 0.1055 0.1982 ( 4521 PWs) bands (ev): -48.8815 -48.8815 -48.8728 -48.8728 -20.9499 -20.9499 -20.9127 -20.9127 -20.7773 -20.7773 -20.7660 -20.7660 -20.7460 -20.7460 -20.7150 -20.7150 -11.0008 -11.0008 -1.2217 -1.2217 -0.6933 -0.6933 0.0865 0.0865 0.3730 0.3730 6.1246 6.1246 6.7394 6.7394 6.9141 6.9141 10.3541 10.3541 k =-0.1190 0.1117 0.2098 ( 4519 PWs) bands (ev): -48.8815 -48.8815 -48.8729 -48.8729 -20.9497 -20.9497 -20.9132 -20.9132 -20.7772 -20.7772 -20.7655 -20.7655 -20.7467 -20.7467 -20.7151 -20.7151 -10.9963 -10.9963 -1.2220 -1.2220 -0.7122 -0.7122 0.0790 0.0790 0.3870 0.3870 6.1546 6.1546 6.6865 6.6865 6.9135 6.9135 10.2601 10.2601 k =-0.1256 0.1179 0.2215 ( 4519 PWs) bands (ev): -48.8814 -48.8814 -48.8729 -48.8729 -20.9495 -20.9495 -20.9138 -20.9138 -20.7772 -20.7772 -20.7651 -20.7651 -20.7475 -20.7475 -20.7152 -20.7152 -10.9916 -10.9916 -1.2226 -1.2226 -0.7308 -0.7308 0.0709 0.0709 0.4014 0.4014 6.1862 6.1862 6.6353 6.6353 6.9121 6.9121 10.1680 10.1680 k =-0.1323 0.1241 0.2331 ( 4527 PWs) bands (ev): -48.8813 -48.8813 -48.8730 -48.8730 -20.9492 -20.9492 -20.9145 -20.9145 -20.7771 -20.7771 -20.7646 -20.7646 -20.7485 -20.7485 -20.7154 -20.7154 -10.9869 -10.9869 -1.2236 -1.2236 -0.7490 -0.7490 0.0621 0.0621 0.4160 0.4160 6.2193 6.2193 6.5859 6.5859 6.9097 6.9097 10.0782 10.0782 k =-0.1389 0.1303 0.2448 ( 4519 PWs) bands (ev): -48.8812 -48.8812 -48.8731 -48.8731 -20.9490 -20.9490 -20.9151 -20.9151 -20.7770 -20.7770 -20.7640 -20.7640 -20.7493 -20.7493 -20.7155 -20.7155 -10.9822 -10.9822 -1.2250 -1.2250 -0.7665 -0.7665 0.0526 0.0526 0.4308 0.4308 6.2539 6.2539 6.5387 6.5387 6.9065 6.9065 9.9907 9.9907 k =-0.1455 0.1365 0.2565 ( 4523 PWs) bands (ev): -48.8812 -48.8812 -48.8731 -48.8731 -20.9487 -20.9487 -20.9158 -20.9158 -20.7769 -20.7769 -20.7635 -20.7635 -20.7503 -20.7503 -20.7156 -20.7156 -10.9774 -10.9774 -1.2268 -1.2268 -0.7832 -0.7832 0.0424 0.0424 0.4458 0.4458 6.2899 6.2899 6.4939 6.4939 6.9023 6.9023 9.9059 9.9059 k =-0.1521 0.1427 0.2681 ( 4535 PWs) bands (ev): -48.8811 -48.8811 -48.8732 -48.8732 -20.9485 -20.9485 -20.9165 -20.9165 -20.7769 -20.7769 -20.7630 -20.7630 -20.7512 -20.7512 -20.7158 -20.7158 -10.9726 -10.9726 -1.2290 -1.2290 -0.7991 -0.7991 0.0315 0.0315 0.4609 0.4609 6.3274 6.3274 6.4518 6.4518 6.8973 6.8973 9.8238 9.8238 k =-0.1587 0.1489 0.2798 ( 4530 PWs) bands (ev): -48.8810 -48.8810 -48.8733 -48.8733 -20.9483 -20.9483 -20.9171 -20.9171 -20.7769 -20.7769 -20.7624 -20.7624 -20.7521 -20.7521 -20.7159 -20.7159 -10.9678 -10.9678 -1.2318 -1.2318 -0.8139 -0.8139 0.0198 0.0198 0.4760 0.4760 6.3663 6.3663 6.4126 6.4126 6.8915 6.8915 9.7446 9.7446 k =-0.1653 0.1551 0.2914 ( 4526 PWs) bands (ev): -48.8809 -48.8809 -48.8734 -48.8734 -20.9480 -20.9480 -20.9178 -20.9178 -20.7768 -20.7768 -20.7617 -20.7617 -20.7530 -20.7530 -20.7160 -20.7160 -10.9631 -10.9631 -1.2351 -1.2351 -0.8276 -0.8276 0.0075 0.0075 0.4912 0.4912 6.3763 6.3763 6.4067 6.4067 6.8849 6.8849 9.6683 9.6683 k =-0.1719 0.1613 0.3031 ( 4522 PWs) bands (ev): -48.8808 -48.8808 -48.8734 -48.8734 -20.9477 -20.9477 -20.9185 -20.9185 -20.7767 -20.7767 -20.7610 -20.7610 -20.7540 -20.7540 -20.7161 -20.7161 -10.9584 -10.9584 -1.2390 -1.2390 -0.8401 -0.8401 -0.0057 -0.0057 0.5064 0.5064 6.3434 6.3434 6.4482 6.4482 6.8777 6.8777 9.5951 9.5951 k =-0.1785 0.1675 0.3147 ( 4518 PWs) bands (ev): -48.8807 -48.8807 -48.8735 -48.8735 -20.9474 -20.9474 -20.9192 -20.9192 -20.7766 -20.7766 -20.7603 -20.7603 -20.7550 -20.7550 -20.7162 -20.7162 -10.9538 -10.9538 -1.2434 -1.2434 -0.8512 -0.8512 -0.0195 -0.0195 0.5214 0.5214 6.3138 6.3138 6.4911 6.4911 6.8699 6.8699 9.5251 9.5251 k =-0.1852 0.1737 0.3264 ( 4522 PWs) bands (ev): -48.8807 -48.8807 -48.8736 -48.8736 -20.9471 -20.9471 -20.9200 -20.9200 -20.7766 -20.7766 -20.7595 -20.7595 -20.7560 -20.7560 -20.7163 -20.7163 -10.9494 -10.9494 -1.2485 -1.2485 -0.8608 -0.8608 -0.0342 -0.0342 0.5363 0.5363 6.2878 6.2878 6.5352 6.5352 6.8617 6.8617 9.4583 9.4583 k =-0.1918 0.1799 0.3381 ( 4518 PWs) bands (ev): -48.8806 -48.8806 -48.8736 -48.8736 -20.9468 -20.9468 -20.9207 -20.9207 -20.7765 -20.7765 -20.7588 -20.7588 -20.7570 -20.7570 -20.7164 -20.7164 -10.9450 -10.9450 -1.2542 -1.2542 -0.8690 -0.8690 -0.0495 -0.0495 0.5510 0.5510 6.2654 6.2654 6.5804 6.5804 6.8531 6.8531 9.3946 9.3946 k =-0.1984 0.1861 0.3497 ( 4514 PWs) bands (ev): -48.8805 -48.8805 -48.8737 -48.8737 -20.9465 -20.9465 -20.9214 -20.9214 -20.7764 -20.7764 -20.7580 -20.7580 -20.7579 -20.7579 -20.7165 -20.7165 -10.9407 -10.9407 -1.2605 -1.2605 -0.8755 -0.8755 -0.0657 -0.0657 0.5655 0.5655 6.2468 6.2468 6.6268 6.6268 6.8442 6.8442 9.3343 9.3343 k =-0.2050 0.1923 0.3614 ( 4518 PWs) bands (ev): -48.8804 -48.8804 -48.8738 -48.8738 -20.9462 -20.9462 -20.9221 -20.9221 -20.7763 -20.7763 -20.7590 -20.7590 -20.7572 -20.7572 -20.7166 -20.7166 -10.9367 -10.9367 -1.2675 -1.2675 -0.8803 -0.8803 -0.0825 -0.0825 0.5796 0.5796 6.2320 6.2320 6.6742 6.6742 6.8352 6.8352 9.2771 9.2771 k =-0.2116 0.1985 0.3730 ( 4518 PWs) bands (ev): -48.8803 -48.8803 -48.8739 -48.8739 -20.9459 -20.9459 -20.9228 -20.9228 -20.7763 -20.7763 -20.7600 -20.7600 -20.7564 -20.7564 -20.7167 -20.7167 -10.9328 -10.9328 -1.2752 -1.2752 -0.8835 -0.8835 -0.1001 -0.1001 0.5935 0.5935 6.2211 6.2211 6.7226 6.7226 6.8262 6.8262 9.2232 9.2232 k =-0.2182 0.2047 0.3847 ( 4518 PWs) bands (ev): -48.8802 -48.8802 -48.8740 -48.8740 -20.9456 -20.9456 -20.9236 -20.9236 -20.7762 -20.7762 -20.7610 -20.7610 -20.7555 -20.7555 -20.7169 -20.7169 -10.9291 -10.9291 -1.2835 -1.2835 -0.8848 -0.8848 -0.1184 -0.1184 0.6069 0.6069 6.2141 6.2141 6.7720 6.7720 6.8172 6.8172 9.1726 9.1726 k =-0.2248 0.2109 0.3963 ( 4518 PWs) bands (ev): -48.8801 -48.8801 -48.8741 -48.8741 -20.9453 -20.9453 -20.9243 -20.9243 -20.7761 -20.7761 -20.7620 -20.7620 -20.7547 -20.7547 -20.7169 -20.7169 -10.9255 -10.9255 -1.2925 -1.2925 -0.8843 -0.8843 -0.1374 -0.1374 0.6198 0.6198 6.2111 6.2111 6.8085 6.8085 6.8222 6.8222 9.1251 9.1251 k =-0.2315 0.2171 0.4080 ( 4514 PWs) bands (ev): -48.8800 -48.8800 -48.8742 -48.8742 -20.9451 -20.9451 -20.9249 -20.9249 -20.7761 -20.7761 -20.7629 -20.7629 -20.7538 -20.7538 -20.7170 -20.7170 -10.9222 -10.9222 -1.3020 -1.3020 -0.8819 -0.8819 -0.1570 -0.1570 0.6323 0.6323 6.2122 6.2122 6.8001 6.8001 6.8731 6.8731 9.0808 9.0808 k =-0.2381 0.2233 0.4197 ( 4512 PWs) bands (ev): -48.8799 -48.8799 -48.8743 -48.8743 -20.9448 -20.9448 -20.9256 -20.9256 -20.7760 -20.7760 -20.7638 -20.7638 -20.7530 -20.7530 -20.7170 -20.7170 -10.9192 -10.9192 -1.3123 -1.3123 -0.8776 -0.8776 -0.1772 -0.1772 0.6443 0.6443 6.2173 6.2173 6.7921 6.7921 6.9248 6.9248 9.0396 9.0396 k =-0.2447 0.2295 0.4313 ( 4520 PWs) bands (ev): -48.8798 -48.8798 -48.8744 -48.8744 -20.9445 -20.9445 -20.9263 -20.9263 -20.7759 -20.7759 -20.7648 -20.7648 -20.7521 -20.7521 -20.7171 -20.7171 -10.9163 -10.9163 -1.3231 -1.3231 -0.8714 -0.8714 -0.1980 -0.1980 0.6557 0.6557 6.2265 6.2265 6.7846 6.7846 6.9771 6.9771 9.0015 9.0015 k =-0.2513 0.2357 0.4430 ( 4516 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9442 -20.9442 -20.9270 -20.9270 -20.7759 -20.7759 -20.7657 -20.7657 -20.7512 -20.7512 -20.7172 -20.7172 -10.9137 -10.9137 -1.3345 -1.3345 -0.8632 -0.8632 -0.2193 -0.2193 0.6665 0.6665 6.2397 6.2397 6.7777 6.7777 7.0299 7.0299 8.9664 8.9664 k =-0.2579 0.2419 0.4546 ( 4516 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9439 -20.9439 -20.9276 -20.9276 -20.7758 -20.7758 -20.7666 -20.7666 -20.7503 -20.7503 -20.7172 -20.7172 -10.9113 -10.9113 -1.3464 -1.3464 -0.8532 -0.8532 -0.2411 -0.2411 0.6767 0.6767 6.2569 6.2569 6.7716 6.7716 7.0831 7.0831 8.9342 8.9342 k =-0.2645 0.2481 0.4663 ( 4524 PWs) bands (ev): -48.8795 -48.8795 -48.8746 -48.8746 -20.9436 -20.9436 -20.9283 -20.9283 -20.7757 -20.7757 -20.7676 -20.7676 -20.7494 -20.7494 -20.7173 -20.7173 -10.9092 -10.9092 -1.3588 -1.3588 -0.8412 -0.8412 -0.2634 -0.2634 0.6863 0.6863 6.2781 6.2781 6.7662 6.7662 7.1367 7.1367 8.9048 8.9048 k =-0.2711 0.2543 0.4779 ( 4526 PWs) bands (ev): -48.8794 -48.8794 -48.8747 -48.8747 -20.9434 -20.9434 -20.9290 -20.9290 -20.7756 -20.7756 -20.7684 -20.7684 -20.7485 -20.7485 -20.7174 -20.7174 -10.9073 -10.9073 -1.3717 -1.3717 -0.8273 -0.8273 -0.2860 -0.2860 0.6951 0.6951 6.3033 6.3033 6.7616 6.7616 7.1905 7.1905 8.8782 8.8782 k =-0.2777 0.2605 0.4896 ( 4516 PWs) bands (ev): -48.8793 -48.8793 -48.8748 -48.8748 -20.9431 -20.9431 -20.9295 -20.9295 -20.7755 -20.7755 -20.7692 -20.7692 -20.7475 -20.7475 -20.7174 -20.7174 -10.9056 -10.9056 -1.3851 -1.3851 -0.8115 -0.8115 -0.3090 -0.3090 0.7033 0.7033 6.3324 6.3324 6.7579 6.7579 7.2444 7.2444 8.8542 8.8542 k =-0.2844 0.2667 0.5013 ( 4516 PWs) bands (ev): -48.8792 -48.8792 -48.8749 -48.8749 -20.9428 -20.9428 -20.9302 -20.9302 -20.7754 -20.7754 -20.7700 -20.7700 -20.7466 -20.7466 -20.7175 -20.7175 -10.9042 -10.9042 -1.3988 -1.3988 -0.7939 -0.7939 -0.3322 -0.3322 0.7108 0.7108 6.3653 6.3653 6.7551 6.7551 7.2984 7.2984 8.8328 8.8328 k =-0.2910 0.2729 0.5129 ( 4514 PWs) bands (ev): -48.8791 -48.8791 -48.8750 -48.8750 -20.9425 -20.9425 -20.9307 -20.9307 -20.7753 -20.7753 -20.7708 -20.7708 -20.7456 -20.7456 -20.7175 -20.7175 -10.9031 -10.9031 -1.4129 -1.4129 -0.7745 -0.7745 -0.3556 -0.3556 0.7175 0.7175 6.4021 6.4021 6.7533 6.7533 7.3523 7.3523 8.8138 8.8138 k =-0.2976 0.2791 0.5246 ( 4522 PWs) bands (ev): -48.8791 -48.8791 -48.8751 -48.8751 -20.9423 -20.9423 -20.9313 -20.9313 -20.7753 -20.7753 -20.7715 -20.7715 -20.7448 -20.7448 -20.7176 -20.7176 -10.9022 -10.9022 -1.4272 -1.4272 -0.7534 -0.7534 -0.3792 -0.3792 0.7236 0.7236 6.4425 6.4425 6.7524 6.7524 7.4059 7.4059 8.7971 8.7971 k =-0.3042 0.2853 0.5362 ( 4522 PWs) bands (ev): -48.8790 -48.8790 -48.8752 -48.8752 -20.9420 -20.9420 -20.9319 -20.9319 -20.7753 -20.7753 -20.7722 -20.7722 -20.7438 -20.7438 -20.7176 -20.7176 -10.9015 -10.9015 -1.4418 -1.4418 -0.7306 -0.7306 -0.4029 -0.4029 0.7289 0.7289 6.4866 6.4866 6.7525 6.7525 7.4593 7.4593 8.7826 8.7826 k =-0.3108 0.2915 0.5479 ( 4514 PWs) bands (ev): -48.8789 -48.8789 -48.8753 -48.8753 -20.9418 -20.9418 -20.9324 -20.9324 -20.7753 -20.7753 -20.7727 -20.7727 -20.7429 -20.7429 -20.7176 -20.7176 -10.9010 -10.9010 -1.4566 -1.4566 -0.7063 -0.7063 -0.4266 -0.4266 0.7336 0.7336 6.5342 6.5342 6.7535 6.7535 7.5122 7.5122 8.7703 8.7703 k =-0.3174 0.2977 0.5595 ( 4510 PWs) bands (ev): -48.8788 -48.8788 -48.8753 -48.8753 -20.9415 -20.9415 -20.9329 -20.9329 -20.7754 -20.7754 -20.7731 -20.7731 -20.7420 -20.7420 -20.7176 -20.7176 -10.9007 -10.9007 -1.4715 -1.4715 -0.6804 -0.6804 -0.4503 -0.4503 0.7375 0.7375 6.5853 6.5853 6.7554 6.7554 7.5645 7.5645 8.7599 8.7599 k =-0.3240 0.3039 0.5712 ( 4510 PWs) bands (ev): -48.8787 -48.8787 -48.8754 -48.8754 -20.9413 -20.9413 -20.9334 -20.9334 -20.7757 -20.7757 -20.7733 -20.7733 -20.7411 -20.7411 -20.7177 -20.7177 -10.9006 -10.9006 -1.4865 -1.4865 -0.6531 -0.6531 -0.4738 -0.4738 0.7408 0.7408 6.6396 6.6396 6.7582 6.7582 7.6162 7.6162 8.7514 8.7514 k =-0.3306 0.3102 0.5829 ( 4518 PWs) bands (ev): -48.8786 -48.8786 -48.8755 -48.8755 -20.9411 -20.9411 -20.9339 -20.9339 -20.7762 -20.7762 -20.7735 -20.7735 -20.7402 -20.7402 -20.7177 -20.7177 -10.9007 -10.9007 -1.5015 -1.5015 -0.6245 -0.6245 -0.4972 -0.4972 0.7434 0.7434 6.6972 6.6972 6.7618 6.7618 7.6670 7.6670 8.7445 8.7445 k =-0.3373 0.3164 0.5945 ( 4526 PWs) bands (ev): -48.8786 -48.8786 -48.8756 -48.8756 -20.9409 -20.9409 -20.9343 -20.9343 -20.7767 -20.7767 -20.7735 -20.7735 -20.7394 -20.7394 -20.7177 -20.7177 -10.9010 -10.9010 -1.5164 -1.5164 -0.5948 -0.5948 -0.5203 -0.5203 0.7453 0.7453 6.7578 6.7578 6.7664 6.7664 7.7170 7.7170 8.7393 8.7393 k =-0.3439 0.3226 0.6062 ( 4532 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9408 -20.9408 -20.9348 -20.9348 -20.7772 -20.7772 -20.7735 -20.7735 -20.7386 -20.7386 -20.7177 -20.7177 -10.9015 -10.9015 -1.5313 -1.5313 -0.5641 -0.5641 -0.5430 -0.5430 0.7467 0.7467 6.7714 6.7714 6.8216 6.8216 7.7658 7.7658 8.7355 8.7355 k =-0.3505 0.3288 0.6178 ( 4528 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9406 -20.9406 -20.9351 -20.9351 -20.7776 -20.7776 -20.7734 -20.7734 -20.7378 -20.7378 -20.7177 -20.7177 -10.9021 -10.9021 -1.5460 -1.5460 -0.5656 -0.5656 -0.5321 -0.5321 0.7475 0.7475 6.7772 6.7772 6.8880 6.8880 7.8135 7.8135 8.7331 8.7331 k =-0.3571 0.3350 0.6295 ( 4530 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9405 -20.9405 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7370 -20.7370 -20.7177 -20.7177 -10.9028 -10.9028 -1.5604 -1.5604 -0.5876 -0.5876 -0.4997 -0.4997 0.7477 0.7477 6.7836 6.7836 6.9571 6.9571 7.8599 7.8599 8.7319 8.7319 k =-0.3571 0.3350 0.6295 ( 4530 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9405 -20.9405 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7370 -20.7370 -20.7177 -20.7177 -10.9028 -10.9028 -1.5604 -1.5604 -0.5876 -0.5876 -0.4997 -0.4997 0.7477 0.7477 6.7836 6.7836 6.9571 6.9571 7.8599 7.8599 8.7319 8.7319 k =-0.3490 0.3274 0.6381 ( 4528 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9405 -20.9405 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7370 -20.7370 -20.7177 -20.7177 -10.9028 -10.9028 -1.5615 -1.5615 -0.5871 -0.5871 -0.4992 -0.4992 0.7489 0.7489 6.7467 6.7467 6.9953 6.9953 7.8507 7.8507 8.7421 8.7421 k =-0.3409 0.3198 0.6468 ( 4522 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9404 -20.9404 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7369 -20.7369 -20.7177 -20.7177 -10.9029 -10.9029 -1.5647 -1.5647 -0.5855 -0.5855 -0.4977 -0.4977 0.7525 0.7525 6.6750 6.6750 7.0709 7.0709 7.8244 7.8244 8.7717 8.7717 k =-0.3328 0.3121 0.6554 ( 4516 PWs) bands (ev): -48.8783 -48.8783 -48.8758 -48.8758 -20.9404 -20.9404 -20.9355 -20.9355 -20.7780 -20.7780 -20.7733 -20.7733 -20.7369 -20.7369 -20.7177 -20.7177 -10.9030 -10.9030 -1.5700 -1.5700 -0.5830 -0.5830 -0.4953 -0.4953 0.7584 0.7584 6.5958 6.5958 7.1564 7.1564 7.7840 7.7840 8.8175 8.8175 k =-0.3247 0.3045 0.6641 ( 4516 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9354 -20.9354 -20.7779 -20.7779 -20.7734 -20.7734 -20.7369 -20.7369 -20.7176 -20.7176 -10.9031 -10.9031 -1.5773 -1.5773 -0.5795 -0.5795 -0.4920 -0.4920 0.7666 0.7666 6.5154 6.5154 7.2458 7.2458 7.7330 7.7330 8.8759 8.8759 k =-0.3166 0.2969 0.6727 ( 4517 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9354 -20.9354 -20.7777 -20.7777 -20.7735 -20.7735 -20.7369 -20.7369 -20.7176 -20.7176 -10.9033 -10.9033 -1.5864 -1.5864 -0.5750 -0.5750 -0.4879 -0.4879 0.7769 0.7769 6.4356 6.4356 7.3371 7.3371 7.6746 7.6746 8.9439 8.9439 k =-0.3084 0.2893 0.6814 ( 4523 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9406 -20.9406 -20.9353 -20.9353 -20.7776 -20.7776 -20.7737 -20.7737 -20.7370 -20.7370 -20.7176 -20.7176 -10.9036 -10.9036 -1.5972 -1.5972 -0.5696 -0.5696 -0.4829 -0.4829 0.7891 0.7891 6.3570 6.3570 7.4297 7.4297 7.6113 7.6113 9.0190 9.0190 k =-0.3003 0.2817 0.6900 ( 4513 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9407 -20.9407 -20.9352 -20.9352 -20.7774 -20.7774 -20.7738 -20.7738 -20.7369 -20.7369 -20.7175 -20.7175 -10.9039 -10.9039 -1.6094 -1.6094 -0.5631 -0.5631 -0.4773 -0.4773 0.8031 0.8031 6.2801 6.2801 7.5229 7.5229 7.5449 7.5449 9.0993 9.0993 k =-0.2922 0.2741 0.6987 ( 4513 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9408 -20.9408 -20.9351 -20.9351 -20.7771 -20.7771 -20.7740 -20.7740 -20.7370 -20.7370 -20.7174 -20.7174 -10.9042 -10.9042 -1.6230 -1.6230 -0.5558 -0.5558 -0.4711 -0.4711 0.8186 0.8186 6.2053 6.2053 7.4765 7.4765 7.6169 7.6169 9.1120 9.1120 k =-0.2841 0.2665 0.7073 ( 4507 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9408 -20.9408 -20.9350 -20.9350 -20.7769 -20.7769 -20.7741 -20.7741 -20.7370 -20.7370 -20.7173 -20.7173 -10.9046 -10.9046 -1.6377 -1.6377 -0.5476 -0.5476 -0.4644 -0.4644 0.8355 0.8355 6.1326 6.1326 7.4074 7.4074 7.7110 7.7110 9.0859 9.0859 k =-0.2841 0.2665 0.7073 ( 4507 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9408 -20.9408 -20.9350 -20.9350 -20.7769 -20.7769 -20.7741 -20.7741 -20.7370 -20.7370 -20.7173 -20.7173 -10.9046 -10.9046 -1.6377 -1.6377 -0.5476 -0.5476 -0.4644 -0.4644 0.8355 0.8355 6.1326 6.1326 7.4074 7.4074 7.7110 7.7110 9.0859 9.0859 k =-0.2736 0.2566 0.7073 ( 4500 PWs) bands (ev): -48.8785 -48.8785 -48.8756 -48.8756 -20.9410 -20.9410 -20.9347 -20.9347 -20.7766 -20.7766 -20.7741 -20.7741 -20.7374 -20.7374 -20.7172 -20.7172 -10.9044 -10.9044 -1.6427 -1.6427 -0.5280 -0.5280 -0.4764 -0.4764 0.8496 0.8496 6.0466 6.0466 7.3341 7.3341 7.7779 7.7779 9.1034 9.1034 k =-0.2631 0.2468 0.7073 ( 4498 PWs) bands (ev): -48.8786 -48.8786 -48.8756 -48.8756 -20.9412 -20.9412 -20.9344 -20.9344 -20.7765 -20.7765 -20.7740 -20.7740 -20.7378 -20.7378 -20.7171 -20.7171 -10.9042 -10.9042 -1.6486 -1.6486 -0.5081 -0.5081 -0.4873 -0.4873 0.8641 0.8641 5.9618 5.9618 7.2619 7.2619 7.8484 7.8484 9.1185 9.1185 k =-0.2526 0.2369 0.7073 ( 4497 PWs) bands (ev): -48.8787 -48.8787 -48.8755 -48.8755 -20.9414 -20.9414 -20.9341 -20.9341 -20.7765 -20.7765 -20.7738 -20.7738 -20.7382 -20.7382 -20.7170 -20.7170 -10.9040 -10.9040 -1.6552 -1.6552 -0.4977 -0.4977 -0.4873 -0.4873 0.8788 0.8788 5.8785 5.8785 7.1910 7.1910 7.9225 7.9225 9.1314 9.1314 k =-0.2420 0.2270 0.7073 ( 4502 PWs) bands (ev): -48.8787 -48.8787 -48.8754 -48.8754 -20.9417 -20.9417 -20.9339 -20.9339 -20.7768 -20.7768 -20.7734 -20.7734 -20.7386 -20.7386 -20.7169 -20.7169 -10.9039 -10.9039 -1.6624 -1.6624 -0.5063 -0.5063 -0.4670 -0.4670 0.8935 0.8935 5.7971 5.7971 7.1215 7.1215 7.9997 7.9997 9.1422 9.1422 k =-0.2315 0.2172 0.7073 ( 4504 PWs) bands (ev): -48.8788 -48.8788 -48.8754 -48.8754 -20.9420 -20.9420 -20.9337 -20.9337 -20.7771 -20.7771 -20.7729 -20.7729 -20.7389 -20.7389 -20.7168 -20.7168 -10.9038 -10.9038 -1.6701 -1.6701 -0.5141 -0.5141 -0.4463 -0.4463 0.9082 0.9082 5.7179 5.7179 7.0537 7.0537 8.0798 8.0798 9.1511 9.1511 k =-0.2210 0.2073 0.7073 ( 4504 PWs) bands (ev): -48.8789 -48.8789 -48.8753 -48.8753 -20.9422 -20.9422 -20.9334 -20.9334 -20.7775 -20.7775 -20.7724 -20.7724 -20.7392 -20.7392 -20.7166 -20.7166 -10.9037 -10.9037 -1.6783 -1.6783 -0.5209 -0.5209 -0.4256 -0.4256 0.9227 0.9227 5.6410 5.6410 6.9877 6.9877 8.1628 8.1628 9.1583 9.1583 k =-0.2105 0.1974 0.7073 ( 4504 PWs) bands (ev): -48.8789 -48.8789 -48.8752 -48.8752 -20.9425 -20.9425 -20.9332 -20.9332 -20.7779 -20.7779 -20.7719 -20.7719 -20.7395 -20.7395 -20.7165 -20.7165 -10.9036 -10.9036 -1.6868 -1.6868 -0.5266 -0.5266 -0.4048 -0.4048 0.9369 0.9369 5.5668 5.5668 6.9236 6.9236 8.2484 8.2484 9.1641 9.1641 k =-0.1999 0.1875 0.7073 ( 4508 PWs) bands (ev): -48.8790 -48.8790 -48.8752 -48.8752 -20.9428 -20.9428 -20.9329 -20.9329 -20.7783 -20.7783 -20.7713 -20.7713 -20.7398 -20.7398 -20.7163 -20.7163 -10.9035 -10.9035 -1.6956 -1.6956 -0.5314 -0.5314 -0.3842 -0.3842 0.9508 0.9508 5.4953 5.4953 6.8616 6.8616 8.3364 8.3364 9.1686 9.1686 k =-0.1894 0.1777 0.7073 ( 4511 PWs) bands (ev): -48.8791 -48.8791 -48.8751 -48.8751 -20.9430 -20.9430 -20.9328 -20.9328 -20.7788 -20.7788 -20.7708 -20.7708 -20.7401 -20.7401 -20.7161 -20.7161 -10.9035 -10.9035 -1.7046 -1.7046 -0.5353 -0.5353 -0.3638 -0.3638 0.9641 0.9641 5.4269 5.4269 6.8018 6.8018 8.4264 8.4264 9.1722 9.1722 k =-0.1789 0.1678 0.7073 ( 4510 PWs) bands (ev): -48.8791 -48.8791 -48.8750 -48.8750 -20.9432 -20.9432 -20.9326 -20.9326 -20.7792 -20.7792 -20.7703 -20.7703 -20.7403 -20.7403 -20.7160 -20.7160 -10.9035 -10.9035 -1.7137 -1.7137 -0.5383 -0.5383 -0.3438 -0.3438 0.9769 0.9769 5.3616 5.3616 6.7443 6.7443 8.5182 8.5182 9.1753 9.1753 k =-0.1684 0.1579 0.7073 ( 4500 PWs) bands (ev): -48.8792 -48.8792 -48.8750 -48.8750 -20.9435 -20.9435 -20.9324 -20.9324 -20.7796 -20.7796 -20.7698 -20.7698 -20.7404 -20.7404 -20.7157 -20.7157 -10.9035 -10.9035 -1.7228 -1.7228 -0.5405 -0.5405 -0.3241 -0.3241 0.9891 0.9891 5.2995 5.2995 6.6892 6.6892 8.6112 8.6112 9.1785 9.1785 k =-0.1578 0.1481 0.7073 ( 4502 PWs) bands (ev): -48.8792 -48.8792 -48.8749 -48.8749 -20.9437 -20.9437 -20.9322 -20.9322 -20.7800 -20.7800 -20.7693 -20.7693 -20.7406 -20.7406 -20.7156 -20.7156 -10.9035 -10.9035 -1.7318 -1.7318 -0.5420 -0.5420 -0.3051 -0.3051 1.0006 1.0006 5.2408 5.2408 6.6367 6.6367 8.7047 8.7047 9.1824 9.1824 k =-0.1473 0.1382 0.7073 ( 4508 PWs) bands (ev): -48.8793 -48.8793 -48.8748 -48.8748 -20.9440 -20.9440 -20.9321 -20.9321 -20.7805 -20.7805 -20.7688 -20.7688 -20.7408 -20.7408 -20.7154 -20.7154 -10.9035 -10.9035 -1.7406 -1.7406 -0.5428 -0.5428 -0.2866 -0.2866 1.0113 1.0113 5.1856 5.1856 6.5869 6.5869 8.7972 8.7972 9.1886 9.1886 k =-0.1368 0.1283 0.7073 ( 4506 PWs) bands (ev): -48.8793 -48.8793 -48.8748 -48.8748 -20.9443 -20.9443 -20.9319 -20.9319 -20.7809 -20.7809 -20.7683 -20.7683 -20.7409 -20.7409 -20.7152 -20.7152 -10.9035 -10.9035 -1.7492 -1.7492 -0.5431 -0.5431 -0.2689 -0.2689 1.0213 1.0213 5.1340 5.1340 6.5400 6.5400 8.8861 8.8861 9.1997 9.1997 k =-0.1263 0.1185 0.7073 ( 4508 PWs) bands (ev): -48.8794 -48.8794 -48.8747 -48.8747 -20.9445 -20.9445 -20.9318 -20.9318 -20.7813 -20.7813 -20.7679 -20.7679 -20.7410 -20.7410 -20.7150 -20.7150 -10.9035 -10.9035 -1.7575 -1.7575 -0.5428 -0.5428 -0.2520 -0.2520 1.0304 1.0304 5.0859 5.0859 6.4960 6.4960 8.9655 8.9655 9.2215 9.2215 k =-0.1158 0.1086 0.7073 ( 4506 PWs) bands (ev): -48.8794 -48.8794 -48.8747 -48.8747 -20.9447 -20.9447 -20.9317 -20.9317 -20.7816 -20.7816 -20.7676 -20.7676 -20.7411 -20.7411 -20.7148 -20.7148 -10.9036 -10.9036 -1.7653 -1.7653 -0.5422 -0.5422 -0.2360 -0.2360 1.0388 1.0388 5.0416 5.0416 6.4550 6.4550 9.0264 9.0264 9.2629 9.2629 k =-0.1052 0.0987 0.7073 ( 4510 PWs) bands (ev): -48.8795 -48.8795 -48.8746 -48.8746 -20.9449 -20.9449 -20.9316 -20.9316 -20.7820 -20.7820 -20.7672 -20.7672 -20.7412 -20.7412 -20.7147 -20.7147 -10.9036 -10.9036 -1.7727 -1.7727 -0.5413 -0.5413 -0.2211 -0.2211 1.0463 1.0463 5.0010 5.0010 6.4172 6.4172 9.0636 9.0636 9.3291 9.3291 k =-0.0947 0.0888 0.7073 ( 4508 PWs) bands (ev): -48.8795 -48.8795 -48.8746 -48.8746 -20.9451 -20.9451 -20.9315 -20.9315 -20.7823 -20.7823 -20.7669 -20.7669 -20.7412 -20.7412 -20.7145 -20.7145 -10.9036 -10.9036 -1.7796 -1.7796 -0.5402 -0.5402 -0.2072 -0.2072 1.0530 1.0530 4.9643 4.9643 6.3826 6.3826 9.0826 9.0826 9.4145 9.4145 k =-0.0842 0.0790 0.7073 ( 4506 PWs) bands (ev): -48.8796 -48.8796 -48.8746 -48.8746 -20.9453 -20.9453 -20.9314 -20.9314 -20.7826 -20.7826 -20.7665 -20.7665 -20.7413 -20.7413 -20.7143 -20.7143 -10.9037 -10.9037 -1.7860 -1.7860 -0.5389 -0.5389 -0.1946 -0.1946 1.0589 1.0589 4.9313 4.9313 6.3514 6.3514 9.0918 9.0918 9.5104 9.5104 k =-0.0737 0.0691 0.7073 ( 4508 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9455 -20.9455 -20.9313 -20.9313 -20.7829 -20.7829 -20.7663 -20.7663 -20.7414 -20.7414 -20.7142 -20.7142 -10.9037 -10.9037 -1.7916 -1.7916 -0.5375 -0.5375 -0.1833 -0.1833 1.0641 1.0641 4.9022 4.9022 6.3236 6.3236 9.0961 9.0961 9.6117 9.6117 k =-0.0631 0.0592 0.7073 ( 4494 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9456 -20.9456 -20.9312 -20.9312 -20.7831 -20.7831 -20.7660 -20.7660 -20.7413 -20.7413 -20.7140 -20.7140 -10.9037 -10.9037 -1.7967 -1.7967 -0.5362 -0.5362 -0.1733 -0.1733 1.0685 1.0685 4.8769 4.8769 6.2994 6.2994 9.0979 9.0979 9.7156 9.7156 k =-0.0526 0.0494 0.7073 ( 4492 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9457 -20.9457 -20.9311 -20.9311 -20.7833 -20.7833 -20.7658 -20.7658 -20.7413 -20.7413 -20.7139 -20.7139 -10.9037 -10.9037 -1.8010 -1.8010 -0.5349 -0.5349 -0.1647 -0.1647 1.0722 1.0722 4.8555 4.8555 6.2788 6.2788 9.0985 9.0985 9.8204 9.8204 k =-0.0421 0.0395 0.7073 ( 4496 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9458 -20.9458 -20.9311 -20.9311 -20.7835 -20.7835 -20.7656 -20.7656 -20.7414 -20.7414 -20.7138 -20.7138 -10.9038 -10.9038 -1.8046 -1.8046 -0.5338 -0.5338 -0.1576 -0.1576 1.0751 1.0751 4.8380 4.8380 6.2618 6.2618 9.0984 9.0984 9.9244 9.9244 k =-0.0316 0.0296 0.7073 ( 4498 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9459 -20.9459 -20.9310 -20.9310 -20.7836 -20.7836 -20.7655 -20.7655 -20.7414 -20.7414 -20.7137 -20.7137 -10.9038 -10.9038 -1.8074 -1.8074 -0.5329 -0.5329 -0.1521 -0.1521 1.0774 1.0774 4.8244 4.8244 6.2486 6.2486 9.0981 9.0981 10.0257 10.0257 k =-0.0210 0.0197 0.7073 ( 4490 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9460 -20.9460 -20.9310 -20.9310 -20.7837 -20.7837 -20.7654 -20.7654 -20.7414 -20.7414 -20.7136 -20.7136 -10.9038 -10.9038 -1.8094 -1.8094 -0.5322 -0.5322 -0.1481 -0.1481 1.0790 1.0790 4.8146 4.8146 6.2391 6.2391 9.0978 9.0978 10.1199 10.1199 k =-0.0105 0.0099 0.7073 ( 4487 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9460 -20.9460 -20.9309 -20.9309 -20.7837 -20.7837 -20.7653 -20.7653 -20.7414 -20.7414 -20.7136 -20.7136 -10.9038 -10.9038 -1.8106 -1.8106 -0.5318 -0.5318 -0.1457 -0.1457 1.0800 1.0800 4.8088 4.8088 6.2334 6.2334 9.0975 9.0975 10.1965 10.1965 k = 0.0000 0.0000 0.7073 ( 4492 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9460 -20.9460 -20.9310 -20.9310 -20.7838 -20.7838 -20.7653 -20.7653 -20.7414 -20.7414 -20.7136 -20.7136 -10.9038 -10.9038 -1.8110 -1.8110 -0.5317 -0.5317 -0.1449 -0.1449 1.0803 1.0803 4.8068 4.8068 6.2315 6.2315 9.0974 9.0974 10.2295 10.2295 k = 0.0000 0.0000 0.7073 ( 4492 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9460 -20.9460 -20.9310 -20.9310 -20.7838 -20.7838 -20.7653 -20.7653 -20.7414 -20.7414 -20.7136 -20.7136 -10.9038 -10.9038 -1.8110 -1.8110 -0.5317 -0.5317 -0.1449 -0.1449 1.0803 1.0803 4.8068 4.8068 6.2315 6.2315 9.0974 9.0974 10.2295 10.2295 k = 0.0100 0.0107 0.7073 ( 4492 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9460 -20.9460 -20.9310 -20.9310 -20.7837 -20.7837 -20.7653 -20.7653 -20.7414 -20.7414 -20.7137 -20.7137 -10.9038 -10.9038 -1.8106 -1.8106 -0.5323 -0.5323 -0.1451 -0.1451 1.0804 1.0804 4.8079 4.8079 6.2323 6.2323 9.0965 9.0965 10.2255 10.2255 k = 0.0200 0.0213 0.7073 ( 4492 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9459 -20.9459 -20.9310 -20.9310 -20.7836 -20.7836 -20.7653 -20.7653 -20.7414 -20.7414 -20.7138 -20.7138 -10.9038 -10.9038 -1.8096 -1.8096 -0.5339 -0.5339 -0.1459 -0.1459 1.0808 1.0808 4.8110 4.8110 6.2350 6.2350 9.0937 9.0937 10.2136 10.2136 k = 0.0300 0.0320 0.7073 ( 4494 PWs) bands (ev): -48.8797 -48.8797 -48.8744 -48.8744 -20.9458 -20.9458 -20.9310 -20.9310 -20.7835 -20.7835 -20.7653 -20.7653 -20.7415 -20.7415 -20.7141 -20.7141 -10.9038 -10.9038 -1.8078 -1.8078 -0.5367 -0.5367 -0.1472 -0.1472 1.0815 1.0815 4.8162 4.8162 6.2394 6.2394 9.0890 9.0890 10.1946 10.1946 k = 0.0400 0.0426 0.7073 ( 4488 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9456 -20.9456 -20.9310 -20.9310 -20.7832 -20.7832 -20.7652 -20.7652 -20.7415 -20.7415 -20.7145 -20.7145 -10.9038 -10.9038 -1.8054 -1.8054 -0.5406 -0.5406 -0.1490 -0.1490 1.0825 1.0825 4.8233 4.8233 6.2455 6.2455 9.0826 9.0826 10.1693 10.1693 k = 0.0500 0.0533 0.7073 ( 4492 PWs) bands (ev): -48.8796 -48.8796 -48.8745 -48.8745 -20.9454 -20.9454 -20.9311 -20.9311 -20.7830 -20.7830 -20.7652 -20.7652 -20.7415 -20.7415 -20.7150 -20.7150 -10.9038 -10.9038 -1.8023 -1.8023 -0.5455 -0.5455 -0.1513 -0.1513 1.0837 1.0837 4.8323 4.8323 6.2531 6.2531 9.0744 9.0744 10.1387 10.1387 k = 0.0600 0.0640 0.7073 ( 4492 PWs) bands (ev): -48.8795 -48.8795 -48.8746 -48.8746 -20.9451 -20.9451 -20.9311 -20.9311 -20.7826 -20.7826 -20.7651 -20.7651 -20.7415 -20.7415 -20.7156 -20.7156 -10.9038 -10.9038 -1.7986 -1.7986 -0.5513 -0.5513 -0.1540 -0.1540 1.0851 1.0851 4.8430 4.8430 6.2623 6.2623 9.0646 9.0646 10.1038 10.1038 k = 0.0700 0.0746 0.7073 ( 4500 PWs) bands (ev): -48.8795 -48.8795 -48.8746 -48.8746 -20.9448 -20.9448 -20.9312 -20.9312 -20.7822 -20.7822 -20.7651 -20.7651 -20.7416 -20.7416 -20.7164 -20.7164 -10.9037 -10.9037 -1.7944 -1.7944 -0.5581 -0.5581 -0.1571 -0.1571 1.0867 1.0867 4.8554 4.8554 6.2728 6.2728 9.0532 9.0532 10.0654 10.0654 k = 0.0800 0.0853 0.7073 ( 4502 PWs) bands (ev): -48.8794 -48.8794 -48.8747 -48.8747 -20.9445 -20.9445 -20.9313 -20.9313 -20.7817 -20.7817 -20.7651 -20.7651 -20.7416 -20.7416 -20.7172 -20.7172 -10.9037 -10.9037 -1.7896 -1.7896 -0.5655 -0.5655 -0.1605 -0.1605 1.0885 1.0885 4.8693 4.8693 6.2846 6.2846 9.0405 9.0405 10.0243 10.0243 k = 0.0900 0.0959 0.7073 ( 4502 PWs) bands (ev): -48.8793 -48.8793 -48.8748 -48.8748 -20.9441 -20.9441 -20.9313 -20.9313 -20.7812 -20.7812 -20.7650 -20.7650 -20.7417 -20.7417 -20.7181 -20.7181 -10.9037 -10.9037 -1.7844 -1.7844 -0.5737 -0.5737 -0.1641 -0.1641 1.0904 1.0904 4.8844 4.8844 6.2974 6.2974 9.0265 9.0265 9.9812 9.9812 k = 0.1000 0.1066 0.7073 ( 4506 PWs) bands (ev): -48.8792 -48.8792 -48.8749 -48.8749 -20.9437 -20.9437 -20.9315 -20.9315 -20.7806 -20.7806 -20.7650 -20.7650 -20.7417 -20.7417 -20.7191 -20.7191 -10.9037 -10.9037 -1.7787 -1.7787 -0.5824 -0.5824 -0.1680 -0.1680 1.0924 1.0924 4.9006 4.9006 6.3112 6.3112 9.0114 9.0114 9.9368 9.9368 k = 0.1100 0.1173 0.7073 ( 4502 PWs) bands (ev): -48.8791 -48.8791 -48.8750 -48.8750 -20.9432 -20.9432 -20.9315 -20.9315 -20.7800 -20.7800 -20.7649 -20.7649 -20.7417 -20.7417 -20.7201 -20.7201 -10.9037 -10.9037 -1.7728 -1.7728 -0.5916 -0.5916 -0.1720 -0.1720 1.0945 1.0945 4.9177 4.9177 6.3256 6.3256 8.9956 8.9956 9.8917 9.8917 k = 0.1200 0.1279 0.7073 ( 4502 PWs) bands (ev): -48.8790 -48.8790 -48.8751 -48.8751 -20.9428 -20.9428 -20.9316 -20.9316 -20.7793 -20.7793 -20.7649 -20.7649 -20.7417 -20.7417 -20.7212 -20.7212 -10.9036 -10.9036 -1.7666 -1.7666 -0.6011 -0.6011 -0.1761 -0.1761 1.0966 1.0966 4.9353 4.9353 6.3405 6.3405 8.9791 8.9791 9.8464 9.8464 k = 0.1300 0.1386 0.7073 ( 4506 PWs) bands (ev): -48.8789 -48.8789 -48.8752 -48.8752 -20.9423 -20.9423 -20.9318 -20.9318 -20.7787 -20.7787 -20.7648 -20.7648 -20.7417 -20.7417 -20.7224 -20.7224 -10.9036 -10.9036 -1.7603 -1.7603 -0.6107 -0.6107 -0.1802 -0.1802 1.0987 1.0987 4.9533 4.9533 6.3557 6.3557 8.9622 8.9622 9.8016 9.8016 k = 0.1400 0.1492 0.7073 ( 4512 PWs) bands (ev): -48.8788 -48.8788 -48.8753 -48.8753 -20.9419 -20.9419 -20.9319 -20.9319 -20.7779 -20.7779 -20.7648 -20.7648 -20.7416 -20.7416 -20.7236 -20.7236 -10.9036 -10.9036 -1.7539 -1.7539 -0.6204 -0.6204 -0.1842 -0.1842 1.1007 1.1007 4.9713 4.9713 6.3709 6.3709 8.9453 8.9453 9.7579 9.7579 k = 0.1500 0.1599 0.7073 ( 4520 PWs) bands (ev): -48.8787 -48.8787 -48.8754 -48.8754 -20.9414 -20.9414 -20.9321 -20.9321 -20.7772 -20.7772 -20.7648 -20.7648 -20.7416 -20.7416 -20.7249 -20.7249 -10.9036 -10.9036 -1.7476 -1.7476 -0.6299 -0.6299 -0.1881 -0.1881 1.1027 1.1027 4.9891 4.9891 6.3859 6.3859 8.9286 8.9286 9.7157 9.7157 k = 0.1600 0.1706 0.7073 ( 4514 PWs) bands (ev): -48.8786 -48.8786 -48.8755 -48.8755 -20.9409 -20.9409 -20.9322 -20.9322 -20.7764 -20.7764 -20.7647 -20.7647 -20.7415 -20.7415 -20.7260 -20.7260 -10.9036 -10.9036 -1.7415 -1.7415 -0.6391 -0.6391 -0.1918 -0.1918 1.1046 1.1046 5.0064 5.0064 6.4004 6.4004 8.9123 8.9123 9.6757 9.6757 k = 0.1700 0.1812 0.7073 ( 4516 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9404 -20.9404 -20.9324 -20.9324 -20.7757 -20.7757 -20.7647 -20.7647 -20.7414 -20.7414 -20.7272 -20.7272 -10.9036 -10.9036 -1.7356 -1.7356 -0.6479 -0.6479 -0.1953 -0.1953 1.1064 1.1064 5.0229 5.0229 6.4143 6.4143 8.8967 8.8967 9.6383 9.6383 k = 0.1800 0.1919 0.7073 ( 4516 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9399 -20.9399 -20.9326 -20.9326 -20.7749 -20.7749 -20.7648 -20.7648 -20.7412 -20.7412 -20.7284 -20.7284 -10.9035 -10.9035 -1.7301 -1.7301 -0.6560 -0.6560 -0.1986 -0.1986 1.1080 1.1080 5.0382 5.0382 6.4271 6.4271 8.8823 8.8823 9.6040 9.6040 k = 0.1900 0.2026 0.7073 ( 4516 PWs) bands (ev): -48.8782 -48.8782 -48.8759 -48.8759 -20.9395 -20.9395 -20.9328 -20.9328 -20.7742 -20.7742 -20.7648 -20.7648 -20.7410 -20.7410 -20.7296 -20.7296 -10.9035 -10.9035 -1.7250 -1.7250 -0.6635 -0.6635 -0.2015 -0.2015 1.1094 1.1094 5.0521 5.0521 6.4389 6.4389 8.8691 8.8691 9.5733 9.5733 k = 0.2000 0.2132 0.7073 ( 4520 PWs) bands (ev): -48.8781 -48.8781 -48.8760 -48.8760 -20.9391 -20.9391 -20.9330 -20.9330 -20.7736 -20.7736 -20.7649 -20.7649 -20.7408 -20.7408 -20.7307 -20.7307 -10.9035 -10.9035 -1.7206 -1.7206 -0.6700 -0.6700 -0.2040 -0.2040 1.1107 1.1107 5.0644 5.0644 6.4492 6.4492 8.8574 8.8574 9.5465 9.5465 k = 0.2100 0.2239 0.7073 ( 4520 PWs) bands (ev): -48.8780 -48.8780 -48.8761 -48.8761 -20.9387 -20.9387 -20.9332 -20.9332 -20.7730 -20.7730 -20.7649 -20.7649 -20.7405 -20.7405 -20.7317 -20.7317 -10.9035 -10.9035 -1.7168 -1.7168 -0.6755 -0.6755 -0.2061 -0.2061 1.1117 1.1117 5.0749 5.0749 6.4579 6.4579 8.8476 8.8476 9.5241 9.5241 k = 0.2200 0.2345 0.7073 ( 4524 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9384 -20.9384 -20.9334 -20.9334 -20.7725 -20.7725 -20.7650 -20.7650 -20.7402 -20.7402 -20.7326 -20.7326 -10.9035 -10.9035 -1.7138 -1.7138 -0.6800 -0.6800 -0.2078 -0.2078 1.1126 1.1126 5.0832 5.0832 6.4649 6.4649 8.8397 8.8397 9.5063 9.5063 k = 0.2300 0.2452 0.7073 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8763 -48.8763 -20.9382 -20.9382 -20.9335 -20.9335 -20.7721 -20.7721 -20.7651 -20.7651 -20.7399 -20.7399 -20.7333 -20.7333 -10.9035 -10.9035 -1.7115 -1.7115 -0.6832 -0.6832 -0.2090 -0.2090 1.1132 1.1132 5.0892 5.0892 6.4700 6.4700 8.8339 8.8339 9.4935 9.4935 k = 0.2400 0.2559 0.7073 ( 4522 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9380 -20.9380 -20.9336 -20.9336 -20.7719 -20.7719 -20.7651 -20.7651 -20.7397 -20.7397 -20.7338 -20.7338 -10.9035 -10.9035 -1.7102 -1.7102 -0.6852 -0.6852 -0.2097 -0.2097 1.1135 1.1135 5.0929 5.0929 6.4731 6.4731 8.8304 8.8304 9.4857 9.4857 k = 0.2500 0.2665 0.7073 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7718 -20.7718 -20.7652 -20.7652 -20.7396 -20.7396 -20.7340 -20.7340 -10.9035 -10.9035 -1.7097 -1.7097 -0.6858 -0.6858 -0.2100 -0.2100 1.1137 1.1137 5.0942 5.0942 6.4741 6.4741 8.8293 8.8293 9.4831 9.4831 k = 0.2500 0.2665 0.7073 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7718 -20.7718 -20.7652 -20.7652 -20.7396 -20.7396 -20.7340 -20.7340 -10.9035 -10.9035 -1.7097 -1.7097 -0.6858 -0.6858 -0.2100 -0.2100 1.1137 1.1137 5.0942 5.0942 6.4741 6.4741 8.8293 8.8293 9.4831 9.4831 k = 0.2417 0.2743 0.6984 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7718 -20.7718 -20.7651 -20.7651 -20.7397 -20.7397 -20.7340 -20.7340 -10.9035 -10.9035 -1.7089 -1.7089 -0.6870 -0.6870 -0.2089 -0.2089 1.1121 1.1121 5.0954 5.0954 6.4756 6.4756 8.8295 8.8295 9.4837 9.4837 k = 0.2333 0.2822 0.6895 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7717 -20.7717 -20.7651 -20.7651 -20.7397 -20.7397 -20.7341 -20.7341 -10.9036 -10.9036 -1.7063 -1.7063 -0.6904 -0.6904 -0.2058 -0.2058 1.1075 1.1075 5.0989 5.0989 6.4799 6.4799 8.8300 8.8300 9.4855 9.4855 k = 0.2250 0.2900 0.6806 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7717 -20.7717 -20.7650 -20.7650 -20.7399 -20.7399 -20.7342 -20.7342 -10.9037 -10.9037 -1.7021 -1.7021 -0.6960 -0.6960 -0.2008 -0.2008 1.0998 1.0998 5.1048 5.1048 6.4870 6.4870 8.8306 8.8306 9.4888 9.4888 k = 0.2167 0.2978 0.6718 ( 4512 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9378 -20.9378 -20.9335 -20.9335 -20.7715 -20.7715 -20.7649 -20.7649 -20.7399 -20.7399 -20.7343 -20.7343 -10.9039 -10.9039 -1.6963 -1.6963 -0.7035 -0.7035 -0.1940 -0.1940 1.0892 1.0892 5.1130 5.1130 6.4969 6.4969 8.8312 8.8312 9.4938 9.4938 k = 0.2083 0.3056 0.6629 ( 4506 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9377 -20.9377 -20.9334 -20.9334 -20.7714 -20.7714 -20.7648 -20.7648 -20.7401 -20.7401 -20.7344 -20.7344 -10.9041 -10.9041 -1.6888 -1.6888 -0.7128 -0.7128 -0.1858 -0.1858 1.0756 1.0756 5.1235 5.1235 6.5095 6.5095 8.8314 8.8314 9.5010 9.5010 k = 0.2000 0.3134 0.6540 ( 4518 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9376 -20.9376 -20.9333 -20.9333 -20.7712 -20.7712 -20.7647 -20.7647 -20.7404 -20.7404 -20.7347 -20.7347 -10.9044 -10.9044 -1.6797 -1.6797 -0.7235 -0.7235 -0.1763 -0.1763 1.0593 1.0593 5.1363 5.1363 6.5249 6.5249 8.8309 8.8309 9.5109 9.5109 k = 0.1917 0.3212 0.6451 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9375 -20.9375 -20.9332 -20.9332 -20.7710 -20.7710 -20.7645 -20.7645 -20.7407 -20.7407 -20.7349 -20.7349 -10.9048 -10.9048 -1.6692 -1.6692 -0.7354 -0.7354 -0.1658 -0.1658 1.0405 1.0405 5.1513 5.1513 6.5428 6.5428 8.8294 8.8294 9.5237 9.5237 k = 0.1833 0.3291 0.6362 ( 4510 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9374 -20.9374 -20.9331 -20.9331 -20.7708 -20.7708 -20.7643 -20.7643 -20.7410 -20.7410 -20.7352 -20.7352 -10.9051 -10.9051 -1.6571 -1.6571 -0.7482 -0.7482 -0.1545 -0.1545 1.0191 1.0191 5.1684 5.1684 6.5633 6.5633 8.8265 8.8265 9.5400 9.5400 k = 0.1750 0.3369 0.6273 ( 4504 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9372 -20.9372 -20.9330 -20.9330 -20.7705 -20.7705 -20.7641 -20.7641 -20.7413 -20.7413 -20.7355 -20.7355 -10.9056 -10.9056 -1.6437 -1.6437 -0.7618 -0.7618 -0.1427 -0.1427 0.9956 0.9956 5.1876 5.1876 6.5862 6.5862 8.8222 8.8222 9.5599 9.5599 k = 0.1667 0.3447 0.6184 ( 4506 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9371 -20.9371 -20.9328 -20.9328 -20.7702 -20.7702 -20.7639 -20.7639 -20.7417 -20.7417 -20.7358 -20.7358 -10.9060 -10.9060 -1.6290 -1.6290 -0.7758 -0.7758 -0.1307 -0.1307 0.9700 0.9700 5.2088 5.2088 6.6114 6.6114 8.8163 8.8163 9.5837 9.5837 k = 0.1583 0.3525 0.6096 ( 4504 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9370 -20.9370 -20.9327 -20.9327 -20.7699 -20.7699 -20.7636 -20.7636 -20.7422 -20.7422 -20.7362 -20.7362 -10.9065 -10.9065 -1.6132 -1.6132 -0.7900 -0.7900 -0.1184 -0.1184 0.9426 0.9426 5.2318 5.2318 6.6388 6.6388 8.8088 8.8088 9.5875 9.5875 k = 0.1500 0.3603 0.6007 ( 4498 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9368 -20.9368 -20.9325 -20.9325 -20.7695 -20.7695 -20.7634 -20.7634 -20.7426 -20.7426 -20.7366 -20.7366 -10.9070 -10.9070 -1.5962 -1.5962 -0.8044 -0.8044 -0.1062 -0.1062 0.9136 0.9136 5.2564 5.2564 6.6684 6.6684 8.7998 8.7998 9.4777 9.4777 k = 0.1417 0.3681 0.5918 ( 4506 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9367 -20.9367 -20.9324 -20.9324 -20.7692 -20.7692 -20.7631 -20.7631 -20.7432 -20.7432 -20.7370 -20.7370 -10.9075 -10.9075 -1.5783 -1.5783 -0.8186 -0.8186 -0.0942 -0.0942 0.8834 0.8834 5.2826 5.2826 6.6999 6.6999 8.7895 8.7895 9.3684 9.3684 k = 0.1333 0.3760 0.5829 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9365 -20.9365 -20.9323 -20.9323 -20.7688 -20.7688 -20.7629 -20.7629 -20.7437 -20.7437 -20.7375 -20.7375 -10.9080 -10.9080 -1.5596 -1.5596 -0.8327 -0.8327 -0.0824 -0.0824 0.8522 0.8522 5.3102 5.3102 6.7333 6.7333 8.7781 8.7781 9.2598 9.2598 k = 0.1250 0.3838 0.5740 ( 4512 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9364 -20.9364 -20.9321 -20.9321 -20.7683 -20.7683 -20.7626 -20.7626 -20.7442 -20.7442 -20.7380 -20.7380 -10.9085 -10.9085 -1.5403 -1.5403 -0.8464 -0.8464 -0.0711 -0.0711 0.8203 0.8203 5.3389 5.3389 6.7684 6.7684 8.7660 8.7660 9.1522 9.1522 k = 0.1167 0.3916 0.5651 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9362 -20.9362 -20.9320 -20.9320 -20.7679 -20.7679 -20.7623 -20.7623 -20.7448 -20.7448 -20.7384 -20.7384 -10.9090 -10.9090 -1.5205 -1.5205 -0.8597 -0.8597 -0.0602 -0.0602 0.7881 0.7881 5.3684 5.3684 6.8050 6.8050 8.7533 8.7533 9.0460 9.0460 k = 0.1083 0.3994 0.5562 ( 4520 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9361 -20.9361 -20.9318 -20.9318 -20.7674 -20.7674 -20.7620 -20.7620 -20.7454 -20.7454 -20.7390 -20.7390 -10.9096 -10.9096 -1.5004 -1.5004 -0.8724 -0.8724 -0.0498 -0.0498 0.7558 0.7558 5.3985 5.3985 6.8432 6.8432 8.7404 8.7404 8.9415 8.9415 k = 0.1000 0.4072 0.5473 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9360 -20.9360 -20.9317 -20.9317 -20.7670 -20.7670 -20.7617 -20.7617 -20.7460 -20.7460 -20.7395 -20.7395 -10.9101 -10.9101 -1.4803 -1.4803 -0.8845 -0.8845 -0.0400 -0.0400 0.7238 0.7238 5.4288 5.4288 6.8827 6.8827 8.7275 8.7275 8.8389 8.8389 k = 0.0917 0.4150 0.5385 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9358 -20.9358 -20.9316 -20.9316 -20.7665 -20.7665 -20.7613 -20.7613 -20.7466 -20.7466 -20.7400 -20.7400 -10.9106 -10.9106 -1.4604 -1.4604 -0.8959 -0.8959 -0.0309 -0.0309 0.6924 0.6924 5.4591 5.4591 6.9234 6.9234 8.7149 8.7149 8.7387 8.7387 k = 0.0833 0.4229 0.5296 ( 4520 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9357 -20.9357 -20.9314 -20.9314 -20.7659 -20.7659 -20.7610 -20.7610 -20.7472 -20.7472 -20.7404 -20.7404 -10.9110 -10.9110 -1.4409 -1.4409 -0.9065 -0.9065 -0.0225 -0.0225 0.6620 0.6620 5.4888 5.4888 6.9650 6.9650 8.6413 8.6413 8.7027 8.7027 k = 0.0750 0.4307 0.5207 ( 4518 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9355 -20.9355 -20.9313 -20.9313 -20.7654 -20.7654 -20.7607 -20.7607 -20.7477 -20.7477 -20.7409 -20.7409 -10.9115 -10.9115 -1.4221 -1.4221 -0.9163 -0.9163 -0.0148 -0.0148 0.6331 0.6331 5.5177 5.5177 7.0075 7.0075 8.5472 8.5472 8.6912 8.6912 k = 0.0667 0.4385 0.5118 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9354 -20.9354 -20.9312 -20.9312 -20.7649 -20.7649 -20.7604 -20.7604 -20.7483 -20.7483 -20.7413 -20.7413 -10.9119 -10.9119 -1.4042 -1.4042 -0.9251 -0.9251 -0.0078 -0.0078 0.6058 0.6058 5.5452 5.5452 7.0504 7.0504 8.4569 8.4569 8.6804 8.6804 k = 0.0583 0.4463 0.5029 ( 4516 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9353 -20.9353 -20.9311 -20.9311 -20.7644 -20.7644 -20.7602 -20.7602 -20.7488 -20.7488 -20.7418 -20.7418 -10.9123 -10.9123 -1.3875 -1.3875 -0.9331 -0.9331 -0.0016 -0.0016 0.5807 0.5807 5.5709 5.5709 7.0934 7.0934 8.3712 8.3712 8.6707 8.6707 k = 0.0500 0.4541 0.4940 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9352 -20.9352 -20.9310 -20.9310 -20.7638 -20.7638 -20.7600 -20.7600 -20.7493 -20.7493 -20.7422 -20.7422 -10.9126 -10.9126 -1.3724 -1.3724 -0.9400 -0.9400 0.0037 0.0037 0.5581 0.5581 5.5943 5.5943 7.1358 7.1358 8.2909 8.2909 8.6620 8.6620 k = 0.0417 0.4619 0.4851 ( 4508 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9350 -20.9350 -20.9308 -20.9308 -20.7633 -20.7633 -20.7598 -20.7598 -20.7497 -20.7497 -20.7425 -20.7425 -10.9129 -10.9129 -1.3590 -1.3590 -0.9460 -0.9460 0.0083 0.0083 0.5382 0.5382 5.6151 5.6151 7.1769 7.1769 8.2171 8.2171 8.6544 8.6544 k = 0.0333 0.4698 0.4763 ( 4514 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9350 -20.9350 -20.9308 -20.9308 -20.7629 -20.7629 -20.7597 -20.7597 -20.7501 -20.7501 -20.7428 -20.7428 -10.9131 -10.9131 -1.3476 -1.3476 -0.9509 -0.9509 0.0121 0.0121 0.5215 0.5215 5.6327 5.6327 7.2154 7.2154 8.1515 8.1515 8.6482 8.6482 k = 0.0250 0.4776 0.4674 ( 4516 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9350 -20.9350 -20.9308 -20.9308 -20.7625 -20.7625 -20.7597 -20.7597 -20.7505 -20.7505 -20.7431 -20.7431 -10.9133 -10.9133 -1.3385 -1.3385 -0.9547 -0.9547 0.0150 0.0150 0.5082 0.5082 5.6468 5.6468 7.2494 7.2494 8.0961 8.0961 8.6432 8.6432 k = 0.0167 0.4854 0.4585 ( 4522 PWs) bands (ev): -48.8777 -48.8777 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7622 -20.7622 -20.7597 -20.7597 -20.7507 -20.7507 -20.7433 -20.7433 -10.9135 -10.9135 -1.3319 -1.3319 -0.9575 -0.9575 0.0171 0.0171 0.4985 0.4985 5.6572 5.6572 7.2767 7.2767 8.0533 8.0533 8.6397 8.6397 k = 0.0083 0.4932 0.4496 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7620 -20.7620 -20.7597 -20.7597 -20.7509 -20.7509 -20.7434 -20.7434 -10.9135 -10.9135 -1.3279 -1.3279 -0.9591 -0.9591 0.0183 0.0183 0.4926 0.4926 5.6635 5.6635 7.2946 7.2946 8.0260 8.0260 8.6375 8.6375 k = 0.0000 0.5010 0.4407 ( 4526 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7619 -20.7619 -20.7597 -20.7597 -20.7509 -20.7509 -20.7435 -20.7435 -10.9136 -10.9136 -1.3265 -1.3265 -0.9597 -0.9597 0.0188 0.0188 0.4906 0.4906 5.6656 5.6656 7.3009 7.3009 8.0166 8.0166 8.6368 8.6368 k = 0.0000 0.5010 0.4407 ( 4526 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7619 -20.7619 -20.7597 -20.7597 -20.7509 -20.7509 -20.7435 -20.7435 -10.9136 -10.9136 -1.3265 -1.3265 -0.9597 -0.9597 0.0188 0.0188 0.4906 0.4906 5.6656 5.6656 7.3009 7.3009 8.0166 8.0166 8.6368 8.6368 k = 0.0119 0.5066 0.4344 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7620 -20.7620 -20.7597 -20.7597 -20.7510 -20.7510 -20.7433 -20.7433 -10.9135 -10.9135 -1.3269 -1.3269 -0.9591 -0.9591 0.0168 0.0168 0.4922 0.4922 5.6677 5.6677 7.2992 7.2992 8.0159 8.0159 8.6369 8.6369 k = 0.0238 0.5121 0.4281 ( 4518 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9349 -20.9349 -20.9307 -20.9307 -20.7624 -20.7624 -20.7597 -20.7597 -20.7511 -20.7511 -20.7427 -20.7427 -10.9134 -10.9134 -1.3282 -1.3282 -0.9573 -0.9573 0.0111 0.0111 0.4967 0.4967 5.6739 5.6739 7.2940 7.2940 8.0136 8.0136 8.6373 8.6373 k = 0.0357 0.5176 0.4218 ( 4510 PWs) bands (ev): -48.8778 -48.8778 -48.8763 -48.8763 -20.9350 -20.9350 -20.9307 -20.9307 -20.7629 -20.7629 -20.7597 -20.7597 -20.7512 -20.7512 -20.7418 -20.7418 -10.9132 -10.9132 -1.3304 -1.3304 -0.9544 -0.9544 0.0019 0.0019 0.5040 0.5040 5.6842 5.6842 7.2853 7.2853 8.0100 8.0100 8.6380 8.6380 k = 0.0476 0.5232 0.4155 ( 4510 PWs) bands (ev): -48.8778 -48.8778 -48.8763 -48.8763 -20.9351 -20.9351 -20.9308 -20.9308 -20.7635 -20.7635 -20.7600 -20.7600 -20.7512 -20.7512 -20.7407 -20.7407 -10.9130 -10.9130 -1.3334 -1.3334 -0.9503 -0.9503 -0.0105 -0.0105 0.5137 0.5137 5.6987 5.6987 7.2735 7.2735 8.0049 8.0049 8.6389 8.6389 k = 0.0595 0.5287 0.4092 ( 4506 PWs) bands (ev): -48.8778 -48.8778 -48.8763 -48.8763 -20.9352 -20.9352 -20.9309 -20.9309 -20.7641 -20.7641 -20.7604 -20.7604 -20.7511 -20.7511 -20.7396 -20.7396 -10.9127 -10.9127 -1.3373 -1.3373 -0.9451 -0.9451 -0.0256 -0.0256 0.5253 0.5253 5.7171 5.7171 7.2586 7.2586 7.9985 7.9985 8.6400 8.6400 k = 0.0714 0.5342 0.4029 ( 4503 PWs) bands (ev): -48.8779 -48.8779 -48.8762 -48.8762 -20.9354 -20.9354 -20.9309 -20.9309 -20.7648 -20.7648 -20.7610 -20.7610 -20.7508 -20.7508 -20.7384 -20.7384 -10.9123 -10.9123 -1.3419 -1.3419 -0.9388 -0.9388 -0.0429 -0.0429 0.5383 0.5383 5.7395 5.7395 7.2408 7.2408 7.9908 7.9908 8.6415 8.6415 k = 0.0833 0.5398 0.3967 ( 4501 PWs) bands (ev): -48.8779 -48.8779 -48.8762 -48.8762 -20.9356 -20.9356 -20.9310 -20.9310 -20.7655 -20.7655 -20.7617 -20.7617 -20.7504 -20.7504 -20.7371 -20.7371 -10.9119 -10.9119 -1.3473 -1.3473 -0.9313 -0.9313 -0.0621 -0.0621 0.5524 0.5524 5.7659 5.7659 7.2205 7.2205 7.9819 7.9819 8.6431 8.6431 k = 0.0952 0.5453 0.3904 ( 4501 PWs) bands (ev): -48.8780 -48.8780 -48.8761 -48.8761 -20.9358 -20.9358 -20.9311 -20.9311 -20.7662 -20.7662 -20.7625 -20.7625 -20.7498 -20.7498 -20.7358 -20.7358 -10.9114 -10.9114 -1.3535 -1.3535 -0.9228 -0.9228 -0.0827 -0.0827 0.5672 0.5672 5.7960 5.7960 7.1980 7.1980 7.9719 7.9719 8.6451 8.6451 k = 0.1071 0.5508 0.3841 ( 4508 PWs) bands (ev): -48.8780 -48.8780 -48.8761 -48.8761 -20.9361 -20.9361 -20.9313 -20.9313 -20.7670 -20.7670 -20.7633 -20.7633 -20.7493 -20.7493 -20.7345 -20.7345 -10.9109 -10.9109 -1.3603 -1.3603 -0.9131 -0.9131 -0.1045 -0.1045 0.5823 0.5823 5.8298 5.8298 7.1736 7.1736 7.9610 7.9610 8.6473 8.6473 k = 0.1190 0.5564 0.3778 ( 4512 PWs) bands (ev): -48.8781 -48.8781 -48.8761 -48.8761 -20.9364 -20.9364 -20.9314 -20.9314 -20.7677 -20.7677 -20.7642 -20.7642 -20.7487 -20.7487 -20.7332 -20.7332 -10.9103 -10.9103 -1.3677 -1.3677 -0.9024 -0.9024 -0.1271 -0.1271 0.5974 0.5974 5.8672 5.8672 7.1476 7.1476 7.9492 7.9492 8.6498 8.6498 k = 0.1309 0.5619 0.3715 ( 4515 PWs) bands (ev): -48.8781 -48.8781 -48.8760 -48.8760 -20.9367 -20.9367 -20.9316 -20.9316 -20.7685 -20.7685 -20.7651 -20.7651 -20.7480 -20.7480 -20.7319 -20.7319 -10.9097 -10.9097 -1.3757 -1.3757 -0.8906 -0.8906 -0.1503 -0.1503 0.6123 0.6123 5.9080 5.9080 7.1205 7.1205 7.9367 7.9367 8.6525 8.6525 k = 0.1428 0.5674 0.3652 ( 4520 PWs) bands (ev): -48.8782 -48.8782 -48.8760 -48.8760 -20.9370 -20.9370 -20.9318 -20.9318 -20.7692 -20.7692 -20.7659 -20.7659 -20.7474 -20.7474 -20.7307 -20.7307 -10.9091 -10.9091 -1.3843 -1.3843 -0.8779 -0.8779 -0.1740 -0.1740 0.6269 0.6269 5.9521 5.9521 7.0926 7.0926 7.9236 7.9236 8.6555 8.6555 k = 0.1547 0.5730 0.3589 ( 4520 PWs) bands (ev): -48.8782 -48.8782 -48.8759 -48.8759 -20.9372 -20.9372 -20.9320 -20.9320 -20.7699 -20.7699 -20.7667 -20.7667 -20.7467 -20.7467 -20.7294 -20.7294 -10.9084 -10.9084 -1.3933 -1.3933 -0.8641 -0.8641 -0.1979 -0.1979 0.6409 0.6409 5.9993 5.9993 7.0642 7.0642 7.9101 7.9101 8.6588 8.6588 k = 0.1666 0.5785 0.3526 ( 4517 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9375 -20.9375 -20.9321 -20.9321 -20.7706 -20.7706 -20.7674 -20.7674 -20.7460 -20.7460 -20.7282 -20.7282 -10.9078 -10.9078 -1.4027 -1.4027 -0.8494 -0.8494 -0.2219 -0.2219 0.6542 0.6542 6.0495 6.0495 7.0357 7.0357 7.8965 7.8965 8.6624 8.6624 k = 0.1785 0.5841 0.3463 ( 4519 PWs) bands (ev): -48.8783 -48.8783 -48.8758 -48.8758 -20.9378 -20.9378 -20.9324 -20.9324 -20.7713 -20.7713 -20.7681 -20.7681 -20.7453 -20.7453 -20.7271 -20.7271 -10.9071 -10.9071 -1.4125 -1.4125 -0.8339 -0.8339 -0.2459 -0.2459 0.6667 0.6667 6.1023 6.1023 7.0075 7.0075 7.8827 7.8827 8.6662 8.6662 k = 0.1905 0.5896 0.3400 ( 4512 PWs) bands (ev): -48.8783 -48.8783 -48.8758 -48.8758 -20.9381 -20.9381 -20.9325 -20.9325 -20.7719 -20.7719 -20.7688 -20.7688 -20.7447 -20.7447 -20.7259 -20.7259 -10.9065 -10.9065 -1.4226 -1.4226 -0.8174 -0.8174 -0.2699 -0.2699 0.6784 0.6784 6.1576 6.1576 6.9799 6.9799 7.8691 7.8691 8.6703 8.6703 k = 0.2024 0.5951 0.3337 ( 4508 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9384 -20.9384 -20.9327 -20.9327 -20.7725 -20.7725 -20.7694 -20.7694 -20.7440 -20.7440 -20.7249 -20.7249 -10.9058 -10.9058 -1.4329 -1.4329 -0.8001 -0.8001 -0.2936 -0.2936 0.6892 0.6892 6.2151 6.2151 6.9531 6.9531 7.8559 7.8559 8.6747 8.6747 k = 0.2143 0.6007 0.3274 ( 4516 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9388 -20.9388 -20.9329 -20.9329 -20.7731 -20.7731 -20.7701 -20.7701 -20.7434 -20.7434 -20.7239 -20.7239 -10.9052 -10.9052 -1.4433 -1.4433 -0.7820 -0.7820 -0.3171 -0.3171 0.6990 0.6990 6.2744 6.2744 6.9276 6.9276 7.8433 7.8433 8.6793 8.6793 k = 0.2262 0.6062 0.3211 ( 4514 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9391 -20.9391 -20.9331 -20.9331 -20.7737 -20.7737 -20.7706 -20.7706 -20.7427 -20.7427 -20.7229 -20.7229 -10.9046 -10.9046 -1.4539 -1.4539 -0.7632 -0.7632 -0.3403 -0.3403 0.7079 0.7079 6.3353 6.3353 6.9035 6.9035 7.8315 7.8315 8.6841 8.6841 k = 0.2381 0.6117 0.3148 ( 4512 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9393 -20.9393 -20.9333 -20.9333 -20.7742 -20.7742 -20.7711 -20.7711 -20.7421 -20.7421 -20.7220 -20.7220 -10.9040 -10.9040 -1.4645 -1.4645 -0.7437 -0.7437 -0.3631 -0.3631 0.7157 0.7157 6.3974 6.3974 6.8810 6.8810 7.8208 7.8208 8.6892 8.6892 k = 0.2500 0.6173 0.3086 ( 4516 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9396 -20.9396 -20.9336 -20.9336 -20.7747 -20.7747 -20.7716 -20.7716 -20.7416 -20.7416 -20.7212 -20.7212 -10.9035 -10.9035 -1.4751 -1.4751 -0.7236 -0.7236 -0.3854 -0.3854 0.7226 0.7226 6.4602 6.4602 6.8604 6.8604 7.8115 7.8115 8.6944 8.6944 k = 0.2619 0.6228 0.3023 ( 4516 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9398 -20.9398 -20.9338 -20.9338 -20.7752 -20.7752 -20.7719 -20.7719 -20.7410 -20.7410 -20.7205 -20.7205 -10.9031 -10.9031 -1.4856 -1.4856 -0.7029 -0.7029 -0.4073 -0.4073 0.7286 0.7286 6.5232 6.5232 6.8419 6.8419 7.8040 7.8040 8.6998 8.6998 k = 0.2738 0.6283 0.2960 ( 4518 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9400 -20.9400 -20.9340 -20.9340 -20.7757 -20.7757 -20.7723 -20.7723 -20.7404 -20.7404 -20.7199 -20.7199 -10.9027 -10.9027 -1.4960 -1.4960 -0.6818 -0.6818 -0.4286 -0.4286 0.7336 0.7336 6.5859 6.5859 6.8257 6.8257 7.7987 7.7987 8.7052 8.7052 k = 0.2857 0.6339 0.2897 ( 4524 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9402 -20.9402 -20.9343 -20.9343 -20.7761 -20.7761 -20.7726 -20.7726 -20.7399 -20.7399 -20.7193 -20.7193 -10.9024 -10.9024 -1.5062 -1.5062 -0.6605 -0.6605 -0.4492 -0.4492 0.7378 0.7378 6.6476 6.6476 6.8118 6.8118 7.7959 7.7959 8.7105 8.7105 k = 0.2976 0.6394 0.2834 ( 4520 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9403 -20.9403 -20.9345 -20.9345 -20.7765 -20.7765 -20.7728 -20.7728 -20.7393 -20.7393 -20.7188 -20.7188 -10.9022 -10.9022 -1.5161 -1.5161 -0.6390 -0.6390 -0.4690 -0.4690 0.7411 0.7411 6.7077 6.7077 6.8004 6.8004 7.7962 7.7962 8.7158 8.7158 k = 0.3095 0.6449 0.2771 ( 4516 PWs) bands (ev): -48.8784 -48.8784 -48.8757 -48.8757 -20.9404 -20.9404 -20.9347 -20.9347 -20.7769 -20.7769 -20.7730 -20.7730 -20.7388 -20.7388 -20.7184 -20.7184 -10.9021 -10.9021 -1.5257 -1.5257 -0.6180 -0.6180 -0.4875 -0.4875 0.7437 0.7437 6.7654 6.7654 6.7916 6.7916 7.8001 7.8001 8.7207 8.7207 k = 0.3214 0.6505 0.2708 ( 4518 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9349 -20.9349 -20.7772 -20.7772 -20.7731 -20.7731 -20.7383 -20.7383 -20.7181 -20.7181 -10.9021 -10.9021 -1.5350 -1.5350 -0.5985 -0.5985 -0.5036 -0.5036 0.7455 0.7455 6.7854 6.7854 6.8200 6.8200 7.8080 7.8080 8.7251 8.7251 k = 0.3333 0.6560 0.2645 ( 4524 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9351 -20.9351 -20.7776 -20.7776 -20.7733 -20.7733 -20.7378 -20.7378 -20.7179 -20.7179 -10.9022 -10.9022 -1.5440 -1.5440 -0.5836 -0.5836 -0.5143 -0.5143 0.7468 0.7468 6.7820 6.7820 6.8705 6.8705 7.8204 7.8204 8.7287 8.7287 k = 0.3452 0.6615 0.2582 ( 4525 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9353 -20.9353 -20.7779 -20.7779 -20.7733 -20.7733 -20.7374 -20.7374 -20.7178 -20.7178 -10.9024 -10.9024 -1.5524 -1.5524 -0.5796 -0.5796 -0.5133 -0.5133 0.7475 0.7475 6.7814 6.7814 6.9164 6.9164 7.8377 7.8377 8.7311 8.7311 k = 0.3571 0.6671 0.2519 ( 4530 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9405 -20.9405 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7370 -20.7370 -20.7177 -20.7177 -10.9028 -10.9028 -1.5604 -1.5604 -0.5876 -0.5876 -0.4997 -0.4997 0.7477 0.7477 6.7836 6.7836 6.9571 6.9571 7.8599 7.8599 8.7319 8.7319 k = 0.3571 0.6671 0.2519 ( 4530 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9405 -20.9405 -20.9355 -20.9355 -20.7781 -20.7781 -20.7733 -20.7733 -20.7370 -20.7370 -20.7177 -20.7177 -10.9028 -10.9028 -1.5604 -1.5604 -0.5876 -0.5876 -0.4997 -0.4997 0.7477 0.7477 6.7836 6.7836 6.9571 6.9571 7.8599 7.8599 8.7319 8.7319 k = 0.3636 0.6610 0.2405 ( 4528 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9403 -20.9403 -20.9359 -20.9359 -20.7786 -20.7786 -20.7731 -20.7731 -20.7362 -20.7362 -20.7178 -20.7178 -10.9036 -10.9036 -1.5744 -1.5744 -0.6087 -0.6087 -0.4672 -0.4672 0.7475 0.7475 6.7903 6.7903 7.0274 7.0274 7.9041 7.9041 8.7317 8.7317 k = 0.3701 0.6549 0.2290 ( 4518 PWs) bands (ev): -48.8782 -48.8782 -48.8760 -48.8760 -20.9401 -20.9401 -20.9362 -20.9362 -20.7791 -20.7791 -20.7729 -20.7729 -20.7353 -20.7353 -20.7178 -20.7178 -10.9045 -10.9045 -1.5881 -1.5881 -0.6292 -0.6292 -0.4342 -0.4342 0.7468 0.7468 6.7974 6.7974 7.0999 7.0999 7.9469 7.9469 8.7325 8.7325 k = 0.3766 0.6488 0.2176 ( 4514 PWs) bands (ev): -48.8781 -48.8781 -48.8761 -48.8761 -20.9400 -20.9400 -20.9365 -20.9365 -20.7795 -20.7795 -20.7728 -20.7728 -20.7346 -20.7346 -20.7177 -20.7177 -10.9055 -10.9055 -1.6014 -1.6014 -0.6491 -0.6491 -0.4010 -0.4010 0.7456 0.7456 6.8049 6.8049 7.1744 7.1744 7.9881 7.9881 8.7340 8.7340 k = 0.3831 0.6427 0.2061 ( 4508 PWs) bands (ev): -48.8781 -48.8781 -48.8761 -48.8761 -20.9398 -20.9398 -20.9368 -20.9368 -20.7799 -20.7799 -20.7726 -20.7726 -20.7338 -20.7338 -20.7177 -20.7177 -10.9066 -10.9066 -1.6143 -1.6143 -0.6684 -0.6684 -0.3677 -0.3677 0.7442 0.7442 6.8126 6.8126 7.2507 7.2507 8.0276 8.0276 8.7363 8.7363 k = 0.3896 0.6366 0.1947 ( 4510 PWs) bands (ev): -48.8780 -48.8780 -48.8762 -48.8762 -20.9397 -20.9397 -20.9370 -20.9370 -20.7803 -20.7803 -20.7724 -20.7724 -20.7332 -20.7332 -20.7177 -20.7177 -10.9077 -10.9077 -1.6268 -1.6268 -0.6869 -0.6869 -0.3344 -0.3344 0.7423 0.7423 6.8204 6.8204 7.3286 7.3286 8.0655 8.0655 8.7391 8.7391 k = 0.3961 0.6305 0.1832 ( 4504 PWs) bands (ev): -48.8780 -48.8780 -48.8762 -48.8762 -20.9397 -20.9397 -20.9373 -20.9373 -20.7807 -20.7807 -20.7723 -20.7723 -20.7325 -20.7325 -20.7177 -20.7177 -10.9088 -10.9088 -1.6389 -1.6389 -0.7047 -0.7047 -0.3015 -0.3015 0.7402 0.7402 6.8282 6.8282 7.4078 7.4078 8.1015 8.1015 8.7424 8.7424 k = 0.4026 0.6244 0.1718 ( 4518 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9397 -20.9397 -20.9375 -20.9375 -20.7811 -20.7811 -20.7722 -20.7722 -20.7319 -20.7319 -20.7177 -20.7177 -10.9100 -10.9100 -1.6503 -1.6503 -0.7217 -0.7217 -0.2691 -0.2691 0.7378 0.7378 6.8360 6.8360 7.4880 7.4880 8.1356 8.1356 8.7135 8.7135 k = 0.4091 0.6183 0.1603 ( 4506 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9396 -20.9396 -20.9376 -20.9376 -20.7813 -20.7813 -20.7720 -20.7720 -20.7313 -20.7313 -20.7176 -20.7176 -10.9111 -10.9111 -1.6613 -1.6613 -0.7378 -0.7378 -0.2373 -0.2373 0.7353 0.7353 6.8438 6.8438 7.5689 7.5689 8.1678 8.1678 8.6443 8.6443 k = 0.4156 0.6122 0.1489 ( 4496 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9396 -20.9396 -20.9377 -20.9377 -20.7816 -20.7816 -20.7718 -20.7718 -20.7307 -20.7307 -20.7176 -20.7176 -10.9123 -10.9123 -1.6716 -1.6716 -0.7529 -0.7529 -0.2064 -0.2064 0.7325 0.7325 6.8513 6.8513 7.6501 7.6501 8.1979 8.1979 8.5773 8.5773 k = 0.4221 0.6062 0.1374 ( 4496 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9396 -20.9396 -20.9378 -20.9378 -20.7818 -20.7818 -20.7717 -20.7717 -20.7302 -20.7302 -20.7176 -20.7176 -10.9134 -10.9134 -1.6813 -1.6813 -0.7672 -0.7672 -0.1766 -0.1766 0.7297 0.7297 6.8585 6.8585 7.7311 7.7311 8.2260 8.2260 8.5131 8.5131 k = 0.4285 0.6001 0.1260 ( 4496 PWs) bands (ev): -48.8777 -48.8777 -48.8765 -48.8765 -20.9396 -20.9396 -20.9379 -20.9379 -20.7821 -20.7821 -20.7716 -20.7716 -20.7297 -20.7297 -20.7176 -20.7176 -10.9145 -10.9145 -1.6904 -1.6904 -0.7804 -0.7804 -0.1482 -0.1482 0.7268 0.7268 6.8655 6.8655 7.8115 7.8115 8.2520 8.2520 8.4521 8.4521 k = 0.4350 0.5940 0.1145 ( 4496 PWs) bands (ev): -48.8777 -48.8777 -48.8765 -48.8765 -20.9397 -20.9397 -20.9380 -20.9380 -20.7823 -20.7823 -20.7715 -20.7715 -20.7293 -20.7293 -20.7176 -20.7176 -10.9155 -10.9155 -1.6987 -1.6987 -0.7926 -0.7926 -0.1213 -0.1213 0.7239 0.7239 6.8720 6.8720 7.8905 7.8905 8.2758 8.2758 8.3948 8.3948 k = 0.4415 0.5879 0.1031 ( 4494 PWs) bands (ev): -48.8777 -48.8777 -48.8766 -48.8766 -20.9397 -20.9397 -20.9380 -20.9380 -20.7825 -20.7825 -20.7714 -20.7714 -20.7289 -20.7289 -20.7176 -20.7176 -10.9165 -10.9165 -1.7063 -1.7063 -0.8038 -0.8038 -0.0961 -0.0961 0.7211 0.7211 6.8781 6.8781 7.9676 7.9676 8.2974 8.2974 8.3417 8.3417 k = 0.4480 0.5818 0.0916 ( 4492 PWs) bands (ev): -48.8776 -48.8776 -48.8766 -48.8766 -20.9398 -20.9398 -20.9380 -20.9380 -20.7826 -20.7826 -20.7713 -20.7713 -20.7285 -20.7285 -20.7175 -20.7175 -10.9174 -10.9174 -1.7132 -1.7132 -0.8138 -0.8138 -0.0729 -0.0729 0.7183 0.7183 6.8837 6.8837 8.0418 8.0418 8.2930 8.2930 8.3169 8.3169 k = 0.4545 0.5757 0.0802 ( 4496 PWs) bands (ev): -48.8776 -48.8776 -48.8766 -48.8766 -20.9399 -20.9399 -20.9380 -20.9380 -20.7828 -20.7828 -20.7712 -20.7712 -20.7282 -20.7282 -20.7175 -20.7175 -10.9182 -10.9182 -1.7194 -1.7194 -0.8228 -0.8228 -0.0518 -0.0518 0.7157 0.7157 6.8887 6.8887 8.1122 8.1122 8.2492 8.2492 8.3341 8.3341 k = 0.4610 0.5696 0.0687 ( 4496 PWs) bands (ev): -48.8776 -48.8776 -48.8767 -48.8767 -20.9400 -20.9400 -20.9380 -20.9380 -20.7830 -20.7830 -20.7711 -20.7711 -20.7279 -20.7279 -20.7175 -20.7175 -10.9189 -10.9189 -1.7247 -1.7247 -0.8306 -0.8306 -0.0331 -0.0331 0.7133 0.7133 6.8931 6.8931 8.1776 8.1776 8.2106 8.2106 8.3490 8.3490 k = 0.4675 0.5635 0.0573 ( 4484 PWs) bands (ev): -48.8776 -48.8776 -48.8767 -48.8767 -20.9400 -20.9400 -20.9380 -20.9380 -20.7831 -20.7831 -20.7710 -20.7710 -20.7276 -20.7276 -20.7175 -20.7175 -10.9196 -10.9196 -1.7293 -1.7293 -0.8372 -0.8372 -0.0170 -0.0170 0.7111 0.7111 6.8969 6.8969 8.1775 8.1775 8.2367 8.2367 8.3616 8.3616 k = 0.4740 0.5574 0.0458 ( 4480 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9400 -20.9400 -20.9380 -20.9380 -20.7831 -20.7831 -20.7709 -20.7709 -20.7274 -20.7274 -20.7175 -20.7175 -10.9201 -10.9201 -1.7331 -1.7331 -0.8427 -0.8427 -0.0035 -0.0035 0.7093 0.7093 6.9000 6.9000 8.1500 8.1500 8.2881 8.2881 8.3720 8.3720 k = 0.4805 0.5513 0.0344 ( 4478 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9400 -20.9400 -20.9380 -20.9380 -20.7832 -20.7832 -20.7709 -20.7709 -20.7272 -20.7272 -20.7175 -20.7175 -10.9205 -10.9205 -1.7360 -1.7360 -0.8469 -0.8469 0.0071 0.0071 0.7078 0.7078 6.9025 6.9025 8.1285 8.1285 8.3301 8.3301 8.3802 8.3802 k = 0.4870 0.5452 0.0229 ( 4476 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7832 -20.7832 -20.7708 -20.7708 -20.7271 -20.7271 -20.7175 -20.7175 -10.9208 -10.9208 -1.7381 -1.7381 -0.8500 -0.8500 0.0148 0.0148 0.7067 0.7067 6.9043 6.9043 8.1130 8.1130 8.3613 8.3613 8.3861 8.3861 k = 0.4935 0.5391 0.0115 ( 4464 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7833 -20.7833 -20.7707 -20.7707 -20.7269 -20.7269 -20.7175 -20.7175 -10.9210 -10.9210 -1.7393 -1.7393 -0.8518 -0.8518 0.0195 0.0195 0.7061 0.7061 6.9053 6.9053 8.1036 8.1036 8.3801 8.3801 8.3901 8.3901 k = 0.5000 0.5330 0.0000 ( 4464 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7832 -20.7832 -20.7708 -20.7708 -20.7269 -20.7269 -20.7174 -20.7174 -10.9210 -10.9210 -1.7398 -1.7398 -0.8524 -0.8524 0.0210 0.0210 0.7058 0.7058 6.9057 6.9057 8.1005 8.1005 8.3858 8.3858 8.3922 8.3922 k = 0.5000 0.5330 0.0000 ( 4464 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7832 -20.7832 -20.7708 -20.7708 -20.7269 -20.7269 -20.7174 -20.7174 -10.9210 -10.9210 -1.7398 -1.7398 -0.8524 -0.8524 0.0210 0.0210 0.7058 0.7058 6.9057 6.9057 8.1005 8.1005 8.3858 8.3858 8.3922 8.3922 k = 0.4900 0.5224 0.0000 ( 4468 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7832 -20.7832 -20.7707 -20.7707 -20.7269 -20.7269 -20.7175 -20.7175 -10.9212 -10.9212 -1.7393 -1.7393 -0.8526 -0.8526 0.0212 0.0212 0.7060 0.7060 6.9076 6.9076 8.0986 8.0986 8.3826 8.3826 8.3885 8.3885 k = 0.4800 0.5117 0.0000 ( 4470 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9402 -20.9402 -20.9377 -20.9377 -20.7833 -20.7833 -20.7706 -20.7706 -20.7269 -20.7269 -20.7178 -20.7178 -10.9215 -10.9215 -1.7380 -1.7380 -0.8531 -0.8531 0.0218 0.0218 0.7065 0.7065 6.9133 6.9133 8.0931 8.0931 8.3677 8.3677 8.3832 8.3832 k = 0.4700 0.5011 0.0000 ( 4466 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9402 -20.9402 -20.9374 -20.9374 -20.7832 -20.7832 -20.7704 -20.7704 -20.7270 -20.7270 -20.7181 -20.7181 -10.9221 -10.9221 -1.7358 -1.7358 -0.8540 -0.8540 0.0228 0.0228 0.7073 0.7073 6.9229 6.9229 8.0842 8.0842 8.3411 8.3411 8.3768 8.3768 k = 0.4600 0.4904 0.0000 ( 4466 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9402 -20.9402 -20.9371 -20.9371 -20.7831 -20.7831 -20.7701 -20.7701 -20.7271 -20.7271 -20.7185 -20.7185 -10.9229 -10.9229 -1.7327 -1.7327 -0.8552 -0.8552 0.0242 0.0242 0.7083 0.7083 6.9362 6.9362 8.0722 8.0722 8.3049 8.3049 8.3682 8.3682 k = 0.4500 0.4797 0.0000 ( 4474 PWs) bands (ev): -48.8775 -48.8775 -48.8768 -48.8768 -20.9403 -20.9403 -20.9367 -20.9367 -20.7830 -20.7830 -20.7698 -20.7698 -20.7272 -20.7272 -20.7191 -20.7191 -10.9240 -10.9240 -1.7288 -1.7288 -0.8567 -0.8567 0.0260 0.0260 0.7095 0.7095 6.9531 6.9531 8.0575 8.0575 8.2603 8.2603 8.3574 8.3574 k = 0.4400 0.4691 0.0000 ( 4478 PWs) bands (ev): -48.8774 -48.8774 -48.8768 -48.8768 -20.9403 -20.9403 -20.9363 -20.9363 -20.7828 -20.7828 -20.7695 -20.7695 -20.7273 -20.7273 -20.7198 -20.7198 -10.9252 -10.9252 -1.7240 -1.7240 -0.8584 -0.8584 0.0282 0.0282 0.7109 0.7109 6.9736 6.9736 8.0408 8.0408 8.2085 8.2085 8.3444 8.3444 k = 0.4300 0.4584 0.0000 ( 4482 PWs) bands (ev): -48.8774 -48.8774 -48.8768 -48.8768 -20.9404 -20.9404 -20.9357 -20.9357 -20.7827 -20.7827 -20.7690 -20.7690 -20.7274 -20.7274 -20.7207 -20.7207 -10.9267 -10.9267 -1.7183 -1.7183 -0.8603 -0.8603 0.0307 0.0307 0.7122 0.7122 6.9976 6.9976 8.0224 8.0224 8.1506 8.1506 8.3293 8.3293 k = 0.4200 0.4477 0.0000 ( 4482 PWs) bands (ev): -48.8775 -48.8775 -48.8768 -48.8768 -20.9405 -20.9405 -20.9351 -20.9351 -20.7825 -20.7825 -20.7684 -20.7684 -20.7275 -20.7275 -20.7216 -20.7216 -10.9284 -10.9284 -1.7119 -1.7119 -0.8622 -0.8622 0.0336 0.0336 0.7136 0.7136 7.0248 7.0248 8.0030 8.0030 8.0878 8.0878 8.3122 8.3122 k = 0.4100 0.4371 0.0000 ( 4486 PWs) bands (ev): -48.8775 -48.8775 -48.8768 -48.8768 -20.9406 -20.9406 -20.9344 -20.9344 -20.7823 -20.7823 -20.7678 -20.7678 -20.7277 -20.7277 -20.7227 -20.7227 -10.9304 -10.9304 -1.7046 -1.7046 -0.8642 -0.8642 0.0369 0.0369 0.7147 0.7147 7.0549 7.0549 7.9831 7.9831 8.0210 8.0210 8.2932 8.2932 k = 0.4000 0.4264 0.0000 ( 4492 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9407 -20.9407 -20.9337 -20.9337 -20.7820 -20.7820 -20.7672 -20.7672 -20.7279 -20.7279 -20.7239 -20.7239 -10.9325 -10.9325 -1.6965 -1.6965 -0.8661 -0.8661 0.0405 0.0405 0.7156 0.7156 7.0877 7.0877 7.9510 7.9510 7.9635 7.9635 8.2724 8.2724 k = 0.3900 0.4158 0.0000 ( 4502 PWs) bands (ev): -48.8776 -48.8776 -48.8767 -48.8767 -20.9408 -20.9408 -20.9329 -20.9329 -20.7818 -20.7818 -20.7664 -20.7664 -20.7281 -20.7281 -20.7252 -20.7252 -10.9348 -10.9348 -1.6877 -1.6877 -0.8678 -0.8678 0.0445 0.0445 0.7161 0.7161 7.1225 7.1225 7.8785 7.8785 7.9447 7.9447 8.2500 8.2500 k = 0.3800 0.4051 0.0000 ( 4498 PWs) bands (ev): -48.8777 -48.8777 -48.8766 -48.8766 -20.9409 -20.9409 -20.9320 -20.9320 -20.7815 -20.7815 -20.7656 -20.7656 -20.7282 -20.7282 -20.7265 -20.7265 -10.9373 -10.9373 -1.6781 -1.6781 -0.8693 -0.8693 0.0488 0.0488 0.7161 0.7161 7.1588 7.1588 7.8041 7.8041 7.9278 7.9278 8.2261 8.2261 k = 0.3700 0.3944 0.0000 ( 4502 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9410 -20.9410 -20.9311 -20.9311 -20.7812 -20.7812 -20.7647 -20.7647 -20.7285 -20.7285 -20.7279 -20.7279 -10.9400 -10.9400 -1.6678 -1.6678 -0.8704 -0.8704 0.0534 0.0534 0.7155 0.7155 7.1956 7.1956 7.7284 7.7284 7.9138 7.9138 8.2008 8.2008 k = 0.3600 0.3838 0.0000 ( 4494 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9411 -20.9411 -20.9302 -20.9302 -20.7809 -20.7809 -20.7637 -20.7637 -20.7294 -20.7294 -20.7286 -20.7286 -10.9428 -10.9428 -1.6569 -1.6569 -0.8712 -0.8712 0.0582 0.0582 0.7142 0.7142 7.2315 7.2315 7.6518 7.6518 7.9042 7.9042 8.1744 8.1744 k = 0.3500 0.3731 0.0000 ( 4506 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9413 -20.9413 -20.9292 -20.9292 -20.7805 -20.7805 -20.7627 -20.7627 -20.7311 -20.7311 -20.7289 -20.7289 -10.9458 -10.9458 -1.6452 -1.6452 -0.8715 -0.8715 0.0634 0.0634 0.7121 0.7121 7.2651 7.2651 7.5747 7.5747 7.9005 7.9005 8.1470 8.1470 k = 0.3400 0.3625 0.0000 ( 4502 PWs) bands (ev): -48.8782 -48.8782 -48.8761 -48.8761 -20.9414 -20.9414 -20.9282 -20.9282 -20.7802 -20.7802 -20.7616 -20.7616 -20.7326 -20.7326 -20.7292 -20.7292 -10.9490 -10.9490 -1.6330 -1.6330 -0.8711 -0.8711 0.0688 0.0688 0.7090 0.7090 7.2945 7.2945 7.4974 7.4974 7.9048 7.9048 8.1186 8.1186 k = 0.3300 0.3518 0.0000 ( 4506 PWs) bands (ev): -48.8783 -48.8783 -48.8760 -48.8760 -20.9416 -20.9416 -20.9272 -20.9272 -20.7798 -20.7798 -20.7604 -20.7604 -20.7343 -20.7343 -20.7294 -20.7294 -10.9523 -10.9523 -1.6202 -1.6202 -0.8702 -0.8702 0.0744 0.0744 0.7050 0.7050 7.3178 7.3178 7.4201 7.4201 7.9190 7.9190 8.0895 8.0895 k = 0.3200 0.3411 0.0000 ( 4518 PWs) bands (ev): -48.8785 -48.8785 -48.8759 -48.8759 -20.9418 -20.9418 -20.9263 -20.9263 -20.7795 -20.7795 -20.7593 -20.7593 -20.7360 -20.7360 -20.7296 -20.7296 -10.9557 -10.9557 -1.6068 -1.6068 -0.8685 -0.8685 0.0802 0.0802 0.6998 0.6998 7.3334 7.3334 7.3434 7.3434 7.9446 7.9446 8.0599 8.0599 k = 0.3100 0.3305 0.0000 ( 4522 PWs) bands (ev): -48.8786 -48.8786 -48.8757 -48.8757 -20.9420 -20.9420 -20.9253 -20.9253 -20.7791 -20.7791 -20.7581 -20.7581 -20.7377 -20.7377 -20.7299 -20.7299 -10.9592 -10.9592 -1.5930 -1.5930 -0.8661 -0.8661 0.0862 0.0862 0.6935 0.6935 7.2668 7.2668 7.3413 7.3413 7.9822 7.9822 8.0298 8.0298 k = 0.3000 0.3198 0.0000 ( 4522 PWs) bands (ev): -48.8788 -48.8788 -48.8756 -48.8756 -20.9423 -20.9423 -20.9242 -20.9242 -20.7787 -20.7787 -20.7569 -20.7569 -20.7394 -20.7394 -20.7301 -20.7301 -10.9628 -10.9628 -1.5787 -1.5787 -0.8628 -0.8628 0.0924 0.0924 0.6860 0.6860 7.1911 7.1911 7.3412 7.3412 7.9993 7.9993 8.0314 8.0314 k = 0.2900 0.3092 0.0000 ( 4530 PWs) bands (ev): -48.8789 -48.8789 -48.8755 -48.8755 -20.9425 -20.9425 -20.9233 -20.9233 -20.7783 -20.7783 -20.7558 -20.7558 -20.7410 -20.7410 -20.7303 -20.7303 -10.9665 -10.9665 -1.5640 -1.5640 -0.8587 -0.8587 0.0987 0.0987 0.6772 0.6772 7.1164 7.1164 7.3344 7.3344 7.9687 7.9687 8.0911 8.0911 k = 0.2800 0.2985 0.0000 ( 4544 PWs) bands (ev): -48.8791 -48.8791 -48.8753 -48.8753 -20.9428 -20.9428 -20.9223 -20.9223 -20.7779 -20.7779 -20.7548 -20.7548 -20.7426 -20.7426 -20.7305 -20.7305 -10.9702 -10.9702 -1.5489 -1.5489 -0.8536 -0.8536 0.1052 0.1052 0.6671 0.6671 7.0428 7.0428 7.3223 7.3223 7.9380 7.9380 8.1598 8.1598 k = 0.2700 0.2878 0.0000 ( 4542 PWs) bands (ev): -48.8793 -48.8793 -48.8752 -48.8752 -20.9431 -20.9431 -20.9213 -20.9213 -20.7775 -20.7775 -20.7539 -20.7539 -20.7439 -20.7439 -20.7307 -20.7307 -10.9740 -10.9740 -1.5335 -1.5335 -0.8475 -0.8475 0.1117 0.1117 0.6557 0.6557 6.9704 6.9704 7.3062 7.3062 7.9075 7.9075 8.2363 8.2363 k = 0.2600 0.2772 0.0000 ( 4532 PWs) bands (ev): -48.8794 -48.8794 -48.8750 -48.8750 -20.9434 -20.9434 -20.9203 -20.9203 -20.7770 -20.7770 -20.7534 -20.7534 -20.7447 -20.7447 -20.7308 -20.7308 -10.9778 -10.9778 -1.5179 -1.5179 -0.8404 -0.8404 0.1183 0.1183 0.6430 0.6430 6.8993 6.8993 7.2872 7.2872 7.8771 7.8771 8.3194 8.3194 k = 0.2500 0.2665 0.0000 ( 4540 PWs) bands (ev): -48.8796 -48.8796 -48.8748 -48.8748 -20.9438 -20.9438 -20.9193 -20.9193 -20.7766 -20.7766 -20.7536 -20.7536 -20.7450 -20.7450 -20.7309 -20.7309 -10.9817 -10.9817 -1.5021 -1.5021 -0.8324 -0.8324 0.1250 0.1250 0.6289 0.6289 6.8298 6.8298 7.2660 7.2660 7.8470 7.8470 8.4079 8.4079 k = 0.2400 0.2559 0.0000 ( 4532 PWs) bands (ev): -48.8797 -48.8797 -48.8747 -48.8747 -20.9441 -20.9441 -20.9184 -20.9184 -20.7762 -20.7762 -20.7543 -20.7543 -20.7446 -20.7446 -20.7309 -20.7309 -10.9856 -10.9856 -1.4862 -1.4862 -0.8233 -0.8233 0.1317 0.1317 0.6136 0.6136 6.7618 6.7618 7.2435 7.2435 7.8173 7.8173 8.5011 8.5011 k = 0.2300 0.2452 0.0000 ( 4532 PWs) bands (ev): -48.8799 -48.8799 -48.8745 -48.8745 -20.9445 -20.9445 -20.9175 -20.9175 -20.7758 -20.7758 -20.7555 -20.7555 -20.7438 -20.7438 -20.7309 -20.7309 -10.9894 -10.9894 -1.4702 -1.4702 -0.8131 -0.8131 0.1383 0.1383 0.5969 0.5969 6.6956 6.6956 7.2200 7.2200 7.7882 7.7882 8.5981 8.5981 k = 0.2200 0.2345 0.0000 ( 4528 PWs) bands (ev): -48.8801 -48.8801 -48.8744 -48.8744 -20.9448 -20.9448 -20.9166 -20.9166 -20.7754 -20.7754 -20.7568 -20.7568 -20.7428 -20.7428 -20.7308 -20.7308 -10.9933 -10.9933 -1.4542 -1.4542 -0.8019 -0.8019 0.1449 0.1449 0.5790 0.5790 6.6313 6.6313 7.1960 7.1960 7.7596 7.7596 8.6982 8.6982 k = 0.2100 0.2239 0.0000 ( 4530 PWs) bands (ev): -48.8802 -48.8802 -48.8742 -48.8742 -20.9452 -20.9452 -20.9158 -20.9158 -20.7750 -20.7750 -20.7583 -20.7583 -20.7418 -20.7418 -20.7305 -20.7305 -10.9971 -10.9971 -1.4382 -1.4382 -0.7897 -0.7897 0.1515 0.1515 0.5598 0.5598 6.5689 6.5689 7.1719 7.1719 7.7318 7.7318 8.8007 8.8007 k = 0.2000 0.2132 0.0000 ( 4532 PWs) bands (ev): -48.8804 -48.8804 -48.8741 -48.8741 -20.9456 -20.9456 -20.9150 -20.9150 -20.7746 -20.7746 -20.7598 -20.7598 -20.7409 -20.7409 -20.7302 -20.7302 -11.0008 -11.0008 -1.4224 -1.4224 -0.7765 -0.7765 0.1580 0.1580 0.5396 0.5396 6.5085 6.5085 7.1479 7.1479 7.7048 7.7048 8.9050 8.9050 k = 0.1900 0.2026 0.0000 ( 4530 PWs) bands (ev): -48.8805 -48.8805 -48.8739 -48.8739 -20.9460 -20.9460 -20.9142 -20.9142 -20.7742 -20.7742 -20.7613 -20.7613 -20.7401 -20.7401 -20.7296 -20.7296 -11.0045 -11.0045 -1.4068 -1.4068 -0.7623 -0.7623 0.1643 0.1643 0.5182 0.5182 6.4504 6.4504 7.1241 7.1241 7.6786 7.6786 9.0102 9.0102 k = 0.1800 0.1919 0.0000 ( 4530 PWs) bands (ev): -48.8807 -48.8807 -48.8738 -48.8738 -20.9464 -20.9464 -20.9135 -20.9135 -20.7739 -20.7739 -20.7628 -20.7628 -20.7394 -20.7394 -20.7289 -20.7289 -11.0081 -11.0081 -1.3914 -1.3914 -0.7471 -0.7471 0.1706 0.1706 0.4959 0.4959 6.3945 6.3945 7.1009 7.1009 7.6533 7.6533 9.1154 9.1154 k = 0.1700 0.1812 0.0000 ( 4538 PWs) bands (ev): -48.8808 -48.8808 -48.8736 -48.8736 -20.9469 -20.9469 -20.9129 -20.9129 -20.7736 -20.7736 -20.7642 -20.7642 -20.7389 -20.7389 -20.7281 -20.7281 -11.0116 -11.0116 -1.3763 -1.3763 -0.7311 -0.7311 0.1766 0.1766 0.4728 0.4728 6.3409 6.3409 7.0783 7.0783 7.6291 7.6291 9.2199 9.2199 k = 0.1600 0.1706 0.0000 ( 4546 PWs) bands (ev): -48.8810 -48.8810 -48.8735 -48.8735 -20.9473 -20.9473 -20.9123 -20.9123 -20.7734 -20.7734 -20.7655 -20.7655 -20.7387 -20.7387 -20.7270 -20.7270 -11.0150 -11.0150 -1.3617 -1.3617 -0.7143 -0.7143 0.1825 0.1825 0.4488 0.4488 6.2898 6.2898 7.0564 7.0564 7.6059 7.6059 9.3227 9.3227 k = 0.1500 0.1599 0.0000 ( 4550 PWs) bands (ev): -48.8811 -48.8811 -48.8734 -48.8734 -20.9478 -20.9478 -20.9117 -20.9117 -20.7732 -20.7732 -20.7667 -20.7667 -20.7384 -20.7384 -20.7259 -20.7259 -11.0182 -11.0182 -1.3475 -1.3475 -0.6967 -0.6967 0.1881 0.1881 0.4243 0.4243 6.2413 6.2413 7.0354 7.0354 7.5839 7.5839 9.4228 9.4228 k = 0.1400 0.1492 0.0000 ( 4554 PWs) bands (ev): -48.8812 -48.8812 -48.8733 -48.8733 -20.9483 -20.9483 -20.9111 -20.9111 -20.7732 -20.7732 -20.7678 -20.7678 -20.7383 -20.7383 -20.7247 -20.7247 -11.0213 -11.0213 -1.3338 -1.3338 -0.6784 -0.6784 0.1935 0.1935 0.3993 0.3993 6.1954 6.1954 7.0153 7.0153 7.5630 7.5630 9.5192 9.5192 k = 0.1300 0.1386 0.0000 ( 4550 PWs) bands (ev): -48.8814 -48.8814 -48.8732 -48.8732 -20.9487 -20.9487 -20.9106 -20.9106 -20.7733 -20.7733 -20.7686 -20.7686 -20.7383 -20.7383 -20.7234 -20.7234 -11.0243 -11.0243 -1.3208 -1.3208 -0.6597 -0.6597 0.1986 0.1986 0.3739 0.3739 6.1522 6.1522 6.9964 6.9964 7.5434 7.5434 9.6112 9.6112 k = 0.1200 0.1279 0.0000 ( 4553 PWs) bands (ev): -48.8815 -48.8815 -48.8731 -48.8731 -20.9491 -20.9491 -20.9101 -20.9101 -20.7736 -20.7736 -20.7692 -20.7692 -20.7383 -20.7383 -20.7222 -20.7222 -11.0271 -11.0271 -1.3084 -1.3084 -0.6405 -0.6405 0.2035 0.2035 0.3485 0.3485 6.1119 6.1119 6.9785 6.9785 7.5250 7.5250 9.6979 9.6979 k = 0.1100 0.1173 0.0000 ( 4549 PWs) bands (ev): -48.8816 -48.8816 -48.8729 -48.8729 -20.9495 -20.9495 -20.9097 -20.9097 -20.7740 -20.7740 -20.7695 -20.7695 -20.7383 -20.7383 -20.7210 -20.7210 -11.0297 -11.0297 -1.2967 -1.2967 -0.6211 -0.6211 0.2080 0.2080 0.3231 0.3231 6.0745 6.0745 6.9618 6.9618 7.5080 7.5080 9.7787 9.7787 k = 0.1000 0.1066 0.0000 ( 4547 PWs) bands (ev): -48.8817 -48.8817 -48.8728 -48.8728 -20.9498 -20.9498 -20.9093 -20.9093 -20.7745 -20.7745 -20.7696 -20.7696 -20.7383 -20.7383 -20.7199 -20.7199 -11.0321 -11.0321 -1.2858 -1.2858 -0.6016 -0.6016 0.2122 0.2122 0.2980 0.2980 6.0400 6.0400 6.9464 6.9464 7.4923 7.4923 9.8533 9.8533 k = 0.0900 0.0959 0.0000 ( 4551 PWs) bands (ev): -48.8818 -48.8818 -48.8728 -48.8728 -20.9502 -20.9502 -20.9090 -20.9090 -20.7752 -20.7752 -20.7696 -20.7696 -20.7384 -20.7384 -20.7189 -20.7189 -11.0344 -11.0344 -1.2758 -1.2758 -0.5824 -0.5824 0.2160 0.2160 0.2735 0.2735 6.0086 6.0086 6.9323 6.9323 7.4780 7.4780 9.9214 9.9214 k = 0.0800 0.0853 0.0000 ( 4555 PWs) bands (ev): -48.8819 -48.8819 -48.8727 -48.8727 -20.9505 -20.9505 -20.9087 -20.9087 -20.7759 -20.7759 -20.7696 -20.7696 -20.7385 -20.7385 -20.7179 -20.7179 -11.0364 -11.0364 -1.2667 -1.2667 -0.5636 -0.5636 0.2194 0.2194 0.2500 0.2500 5.9803 5.9803 6.9196 6.9196 7.4652 7.4652 9.9827 9.9827 k = 0.0700 0.0746 0.0000 ( 4549 PWs) bands (ev): -48.8819 -48.8819 -48.8726 -48.8726 -20.9508 -20.9508 -20.9084 -20.9084 -20.7764 -20.7764 -20.7695 -20.7695 -20.7385 -20.7385 -20.7170 -20.7170 -11.0382 -11.0382 -1.2585 -1.2585 -0.5455 -0.5455 0.2216 0.2216 0.2286 0.2286 5.9552 5.9552 6.9083 6.9083 7.4537 7.4537 10.0371 10.0371 k = 0.0600 0.0640 0.0000 ( 4549 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9511 -20.9511 -20.9082 -20.9082 -20.7770 -20.7770 -20.7694 -20.7694 -20.7386 -20.7386 -20.7163 -20.7163 -11.0398 -11.0398 -1.2513 -1.2513 -0.5285 -0.5285 0.2062 0.2062 0.2259 0.2259 5.9333 5.9333 6.8984 6.8984 7.4438 7.4438 10.0846 10.0846 k = 0.0500 0.0533 0.0000 ( 4539 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9512 -20.9512 -20.9079 -20.9079 -20.7774 -20.7774 -20.7693 -20.7693 -20.7386 -20.7386 -20.7155 -20.7155 -11.0411 -11.0411 -1.2451 -1.2451 -0.5130 -0.5130 0.1877 0.1877 0.2281 0.2281 5.9147 5.9147 6.8900 6.8900 7.4354 7.4354 10.1250 10.1250 k = 0.0400 0.0426 0.0000 ( 4535 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9514 -20.9514 -20.9078 -20.9078 -20.7778 -20.7778 -20.7692 -20.7692 -20.7386 -20.7386 -20.7149 -20.7149 -11.0422 -11.0422 -1.2400 -1.2400 -0.4995 -0.4995 0.1715 0.1715 0.2300 0.2300 5.8994 5.8994 6.8831 6.8831 7.4284 7.4284 10.1583 10.1583 k = 0.0300 0.0320 0.0000 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9516 -20.9516 -20.9076 -20.9076 -20.7781 -20.7781 -20.7691 -20.7691 -20.7387 -20.7387 -20.7145 -20.7145 -11.0431 -11.0431 -1.2361 -1.2361 -0.4883 -0.4883 0.1583 0.1583 0.2315 0.2315 5.8874 5.8874 6.8777 6.8777 7.4230 7.4230 10.1843 10.1843 k = 0.0200 0.0213 0.0000 ( 4537 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9517 -20.9517 -20.9075 -20.9075 -20.7783 -20.7783 -20.7691 -20.7691 -20.7387 -20.7387 -20.7142 -20.7142 -11.0437 -11.0437 -1.2332 -1.2332 -0.4800 -0.4800 0.1484 0.1484 0.2325 0.2325 5.8789 5.8789 6.8738 6.8738 7.4192 7.4192 10.2029 10.2029 k = 0.0100 0.0107 0.0000 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9517 -20.9517 -20.9075 -20.9075 -20.7784 -20.7784 -20.7690 -20.7690 -20.7387 -20.7387 -20.7140 -20.7140 -11.0441 -11.0441 -1.2315 -1.2315 -0.4748 -0.4748 0.1423 0.1423 0.2332 0.2332 5.8738 5.8738 6.8714 6.8714 7.4169 7.4169 10.2142 10.2142 k = 0.0000 0.0000 0.0000 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9074 -20.9074 -20.7785 -20.7785 -20.7690 -20.7690 -20.7387 -20.7387 -20.7139 -20.7139 -11.0442 -11.0442 -1.2309 -1.2309 -0.4731 -0.4731 0.1403 0.1403 0.2334 0.2334 5.8720 5.8720 6.8707 6.8707 7.4161 7.4161 10.2179 10.2179 k = 0.0000 0.0000 0.0000 ( 4533 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9074 -20.9074 -20.7785 -20.7785 -20.7690 -20.7690 -20.7387 -20.7387 -20.7139 -20.7139 -11.0442 -11.0442 -1.2309 -1.2309 -0.4731 -0.4731 0.1403 0.1403 0.2334 0.2334 5.8720 5.8720 6.8707 6.8707 7.4161 7.4161 10.2179 10.2179 k = 0.0085-0.0080 0.0091 ( 4541 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9075 -20.9075 -20.7785 -20.7785 -20.7690 -20.7690 -20.7388 -20.7388 -20.7140 -20.7140 -11.0441 -11.0441 -1.2355 -1.2355 -0.4674 -0.4674 0.1396 0.1396 0.2333 0.2333 5.8722 5.8722 6.8703 6.8703 7.4155 7.4155 10.2108 10.2108 k = 0.0171-0.0160 0.0182 ( 4547 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9518 -20.9518 -20.9076 -20.9076 -20.7785 -20.7785 -20.7690 -20.7690 -20.7389 -20.7389 -20.7140 -20.7140 -11.0437 -11.0437 -1.2490 -1.2490 -0.4507 -0.4507 0.1376 0.1376 0.2331 0.2331 5.8726 5.8726 6.8692 6.8692 7.4137 7.4137 10.1899 10.1899 k = 0.0256-0.0240 0.0273 ( 4539 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9517 -20.9517 -20.9076 -20.9076 -20.7785 -20.7785 -20.7689 -20.7689 -20.7390 -20.7390 -20.7140 -20.7140 -11.0431 -11.0431 -1.2701 -1.2701 -0.4242 -0.4242 0.1343 0.1343 0.2326 0.2326 5.8733 5.8733 6.8674 6.8674 7.4107 7.4107 10.1564 10.1564 k = 0.0342-0.0320 0.0364 ( 4539 PWs) bands (ev): -48.8821 -48.8821 -48.8724 -48.8724 -20.9516 -20.9516 -20.9078 -20.9078 -20.7784 -20.7784 -20.7687 -20.7687 -20.7392 -20.7392 -20.7140 -20.7140 -11.0423 -11.0423 -1.2974 -1.2974 -0.3894 -0.3894 0.1297 0.1297 0.2321 0.2321 5.8744 5.8744 6.8649 6.8649 7.4067 7.4067 10.1117 10.1117 k = 0.0427-0.0401 0.0455 ( 4541 PWs) bands (ev): -48.8821 -48.8821 -48.8725 -48.8725 -20.9515 -20.9515 -20.9080 -20.9080 -20.7784 -20.7784 -20.7685 -20.7685 -20.7395 -20.7395 -20.7141 -20.7141 -11.0412 -11.0412 -1.3294 -1.3294 -0.3479 -0.3479 0.1238 0.1238 0.2313 0.2313 5.8758 5.8758 6.8616 6.8616 7.4016 7.4016 10.0579 10.0579 k = 0.0512-0.0481 0.0546 ( 4537 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9513 -20.9513 -20.9082 -20.9082 -20.7783 -20.7783 -20.7682 -20.7682 -20.7398 -20.7398 -20.7142 -20.7142 -11.0399 -11.0399 -1.3646 -1.3646 -0.3010 -0.3010 0.1166 0.1166 0.2303 0.2303 5.8778 5.8778 6.8574 6.8574 7.3958 7.3958 9.9966 9.9966 k = 0.0598-0.0561 0.0638 ( 4535 PWs) bands (ev): -48.8820 -48.8820 -48.8725 -48.8725 -20.9512 -20.9512 -20.9085 -20.9085 -20.7783 -20.7783 -20.7679 -20.7679 -20.7401 -20.7401 -20.7143 -20.7143 -11.0384 -11.0384 -1.4020 -1.4020 -0.2501 -0.2501 0.1081 0.1081 0.2292 0.2292 5.8803 5.8803 6.8524 6.8524 7.3891 7.3891 9.9296 9.9296 k = 0.0683-0.0641 0.0729 ( 4527 PWs) bands (ev): -48.8819 -48.8819 -48.8726 -48.8726 -20.9509 -20.9509 -20.9088 -20.9088 -20.7782 -20.7782 -20.7674 -20.7674 -20.7406 -20.7406 -20.7144 -20.7144 -11.0367 -11.0367 -1.4406 -1.4406 -0.1960 -0.1960 0.0983 0.0983 0.2279 0.2279 5.8834 5.8834 6.8465 6.8465 7.3820 7.3820 9.8584 9.8584 k = 0.0769-0.0721 0.0820 ( 4523 PWs) bands (ev): -48.8819 -48.8819 -48.8726 -48.8726 -20.9507 -20.9507 -20.9091 -20.9091 -20.7781 -20.7781 -20.7670 -20.7670 -20.7411 -20.7411 -20.7145 -20.7145 -11.0348 -11.0348 -1.4798 -1.4798 -0.1395 -0.1395 0.0873 0.0873 0.2264 0.2264 5.8874 5.8874 6.8396 6.8396 7.3744 7.3744 9.7842 9.7842 k = 0.0854-0.0801 0.0911 ( 4523 PWs) bands (ev): -48.8818 -48.8818 -48.8727 -48.8727 -20.9505 -20.9505 -20.9095 -20.9095 -20.7780 -20.7780 -20.7665 -20.7665 -20.7417 -20.7417 -20.7146 -20.7146 -11.0326 -11.0326 -1.5190 -1.5190 -0.0813 -0.0813 0.0751 0.0751 0.2247 0.2247 5.8922 5.8922 6.8318 6.8318 7.3667 7.3667 9.7083 9.7083 k = 0.0939-0.0881 0.1002 ( 4519 PWs) bands (ev): -48.8817 -48.8817 -48.8727 -48.8727 -20.9502 -20.9502 -20.9100 -20.9100 -20.7779 -20.7779 -20.7660 -20.7660 -20.7423 -20.7423 -20.7147 -20.7147 -11.0303 -11.0303 -1.5577 -1.5577 -0.0219 -0.0219 0.0616 0.0616 0.2228 0.2228 5.8981 5.8981 6.8229 6.8229 7.3589 7.3589 9.6313 9.6313 k = 0.1025-0.0961 0.1093 ( 4509 PWs) bands (ev): -48.8816 -48.8816 -48.8728 -48.8728 -20.9499 -20.9499 -20.9104 -20.9104 -20.7778 -20.7778 -20.7654 -20.7654 -20.7429 -20.7429 -20.7147 -20.7147 -11.0278 -11.0278 -1.5956 -1.5956 0.0382 0.0382 0.0470 0.0470 0.2207 0.2207 5.9051 5.9051 6.8130 6.8130 7.3513 7.3513 9.5542 9.5542 k = 0.1110-0.1041 0.1184 ( 4511 PWs) bands (ev): -48.8816 -48.8816 -48.8729 -48.8729 -20.9496 -20.9496 -20.9109 -20.9109 -20.7777 -20.7777 -20.7648 -20.7648 -20.7436 -20.7436 -20.7149 -20.7149 -11.0252 -11.0252 -1.6326 -1.6326 0.0311 0.0311 0.0988 0.0988 0.2184 0.2184 5.9134 5.9134 6.8021 6.8021 7.3441 7.3441 9.4774 9.4774 k = 0.1196-0.1122 0.1275 ( 4509 PWs) bands (ev): -48.8815 -48.8815 -48.8729 -48.8729 -20.9493 -20.9493 -20.9115 -20.9115 -20.7776 -20.7776 -20.7640 -20.7640 -20.7444 -20.7444 -20.7151 -20.7151 -11.0224 -11.0224 -1.6683 -1.6683 0.0142 0.0142 0.1593 0.1593 0.2159 0.2159 5.9231 5.9231 6.7901 6.7901 7.3375 7.3375 9.4014 9.4014 k = 0.1281-0.1202 0.1366 ( 4523 PWs) bands (ev): -48.8814 -48.8814 -48.8730 -48.8730 -20.9490 -20.9490 -20.9121 -20.9121 -20.7775 -20.7775 -20.7634 -20.7634 -20.7453 -20.7453 -20.7152 -20.7152 -11.0195 -11.0195 -1.7026 -1.7026 -0.0038 -0.0038 0.2130 0.2130 0.2196 0.2196 5.9342 5.9342 6.7772 6.7772 7.3316 7.3316 9.3266 9.3266 k = 0.1367-0.1282 0.1457 ( 4521 PWs) bands (ev): -48.8813 -48.8813 -48.8731 -48.8731 -20.9487 -20.9487 -20.9127 -20.9127 -20.7774 -20.7774 -20.7626 -20.7626 -20.7462 -20.7462 -20.7153 -20.7153 -11.0164 -11.0164 -1.7353 -1.7353 -0.0229 -0.0229 0.2101 0.2101 0.2792 0.2792 5.9471 5.9471 6.7633 6.7633 7.3267 7.3267 9.2533 9.2533 k = 0.1452-0.1362 0.1548 ( 4521 PWs) bands (ev): -48.8812 -48.8812 -48.8732 -48.8732 -20.9484 -20.9484 -20.9134 -20.9134 -20.7773 -20.7773 -20.7618 -20.7618 -20.7471 -20.7471 -20.7155 -20.7155 -11.0133 -11.0133 -1.7663 -1.7663 -0.0429 -0.0429 0.2069 0.2069 0.3380 0.3380 5.9617 5.9617 6.7485 6.7485 7.3229 7.3229 9.1818 9.1818 k = 0.1537-0.1442 0.1639 ( 4533 PWs) bands (ev): -48.8811 -48.8811 -48.8733 -48.8733 -20.9481 -20.9481 -20.9141 -20.9141 -20.7772 -20.7772 -20.7610 -20.7610 -20.7481 -20.7481 -20.7156 -20.7156 -11.0100 -11.0100 -1.7956 -1.7956 -0.0639 -0.0639 0.2034 0.2034 0.3956 0.3956 5.9781 5.9781 6.7331 6.7331 7.3204 7.3204 9.1121 9.1121 k = 0.1623-0.1522 0.1730 ( 4535 PWs) bands (ev): -48.8810 -48.8810 -48.8734 -48.8734 -20.9477 -20.9477 -20.9148 -20.9148 -20.7771 -20.7771 -20.7601 -20.7601 -20.7491 -20.7491 -20.7158 -20.7158 -11.0067 -11.0067 -1.8230 -1.8230 -0.0858 -0.0858 0.1998 0.1998 0.4518 0.4518 5.9966 5.9966 6.7170 6.7170 7.3194 7.3194 9.0444 9.0444 k = 0.1708-0.1602 0.1822 ( 4539 PWs) bands (ev): -48.8809 -48.8809 -48.8735 -48.8735 -20.9473 -20.9473 -20.9156 -20.9156 -20.7770 -20.7770 -20.7592 -20.7592 -20.7502 -20.7502 -20.7159 -20.7159 -11.0033 -11.0033 -1.8485 -1.8485 -0.1085 -0.1085 0.1959 0.1959 0.5063 0.5063 6.0171 6.0171 6.7006 6.7006 7.3199 7.3199 8.9787 8.9787 k = 0.1794-0.1682 0.1913 ( 4535 PWs) bands (ev): -48.8808 -48.8808 -48.8736 -48.8736 -20.9469 -20.9469 -20.9163 -20.9163 -20.7768 -20.7768 -20.7582 -20.7582 -20.7513 -20.7513 -20.7160 -20.7160 -10.9999 -10.9999 -1.8720 -1.8720 -0.1320 -0.1320 0.1917 0.1917 0.5589 0.5589 6.0397 6.0397 6.6841 6.6841 7.3221 7.3221 8.9150 8.9150 k = 0.1879-0.1762 0.2004 ( 4533 PWs) bands (ev): -48.8807 -48.8807 -48.8737 -48.8737 -20.9465 -20.9465 -20.9171 -20.9171 -20.7767 -20.7767 -20.7572 -20.7572 -20.7524 -20.7524 -20.7161 -20.7161 -10.9964 -10.9964 -1.8935 -1.8935 -0.1562 -0.1562 0.1874 0.1874 0.6094 0.6094 6.0646 6.0646 6.6676 6.6676 7.3262 7.3262 8.8534 8.8534 k = 0.1964-0.1843 0.2095 ( 4533 PWs) bands (ev): -48.8806 -48.8806 -48.8739 -48.8739 -20.9461 -20.9461 -20.9179 -20.9179 -20.7766 -20.7766 -20.7562 -20.7562 -20.7535 -20.7535 -20.7163 -20.7163 -10.9929 -10.9929 -1.9130 -1.9130 -0.1810 -0.1810 0.1828 0.1828 0.6574 0.6574 6.0918 6.0918 6.6514 6.6514 7.3323 7.3323 8.7939 8.7939 k = 0.2050-0.1923 0.2186 ( 4533 PWs) bands (ev): -48.8805 -48.8805 -48.8740 -48.8740 -20.9458 -20.9458 -20.9187 -20.9187 -20.7764 -20.7764 -20.7551 -20.7551 -20.7547 -20.7547 -20.7164 -20.7164 -10.9894 -10.9894 -1.9305 -1.9305 -0.2064 -0.2064 0.1780 0.1780 0.7028 0.7028 6.1213 6.1213 6.6359 6.6359 7.3404 7.3404 8.7362 8.7362 k = 0.2135-0.2003 0.2277 ( 4531 PWs) bands (ev): -48.8804 -48.8804 -48.8741 -48.8741 -20.9454 -20.9454 -20.9196 -20.9196 -20.7762 -20.7762 -20.7559 -20.7559 -20.7540 -20.7540 -20.7165 -20.7165 -10.9859 -10.9859 -1.9458 -1.9458 -0.2322 -0.2322 0.1730 0.1730 0.7454 0.7454 6.1533 6.1533 6.6213 6.6213 7.3505 7.3505 8.6805 8.6805 k = 0.2221-0.2083 0.2368 ( 4527 PWs) bands (ev): -48.8802 -48.8802 -48.8742 -48.8742 -20.9450 -20.9450 -20.9204 -20.9204 -20.7761 -20.7761 -20.7570 -20.7570 -20.7529 -20.7529 -20.7165 -20.7165 -10.9824 -10.9824 -1.9591 -1.9591 -0.2584 -0.2584 0.1678 0.1678 0.7849 0.7849 6.1877 6.1877 6.6079 6.6079 7.3629 7.3629 8.6266 8.6266 k = 0.2306-0.2163 0.2459 ( 4523 PWs) bands (ev): -48.8801 -48.8801 -48.8743 -48.8743 -20.9446 -20.9446 -20.9212 -20.9212 -20.7759 -20.7759 -20.7582 -20.7582 -20.7518 -20.7518 -20.7166 -20.7166 -10.9790 -10.9790 -1.9703 -1.9703 -0.2850 -0.2850 0.1624 0.1624 0.8212 0.8212 6.2246 6.2246 6.5960 6.5960 7.3775 7.3775 8.5746 8.5746 k = 0.2391-0.2243 0.2550 ( 4519 PWs) bands (ev): -48.8800 -48.8800 -48.8744 -48.8744 -20.9442 -20.9442 -20.9221 -20.9221 -20.7757 -20.7757 -20.7594 -20.7594 -20.7507 -20.7507 -20.7167 -20.7167 -10.9756 -10.9756 -1.9795 -1.9795 -0.3118 -0.3118 0.1568 0.1568 0.8541 0.8541 6.2640 6.2640 6.5859 6.5859 7.3944 7.3944 8.5243 8.5243 k = 0.2477-0.2323 0.2641 ( 4515 PWs) bands (ev): -48.8799 -48.8799 -48.8745 -48.8745 -20.9438 -20.9438 -20.9230 -20.9230 -20.7755 -20.7755 -20.7606 -20.7606 -20.7495 -20.7495 -20.7168 -20.7168 -10.9722 -10.9722 -1.9866 -1.9866 -0.3388 -0.3388 0.1511 0.1511 0.8835 0.8835 6.3059 6.3059 6.5777 6.5777 7.4135 7.4135 8.4758 8.4758 k = 0.2562-0.2403 0.2732 ( 4515 PWs) bands (ev): -48.8797 -48.8797 -48.8746 -48.8746 -20.9434 -20.9434 -20.9239 -20.9239 -20.7753 -20.7753 -20.7619 -20.7619 -20.7483 -20.7483 -20.7169 -20.7169 -10.9689 -10.9689 -1.9917 -1.9917 -0.3658 -0.3658 0.1453 0.1453 0.9093 0.9093 6.3503 6.3503 6.5719 6.5719 7.4350 7.4350 8.4290 8.4290 k = 0.2648-0.2484 0.2823 ( 4521 PWs) bands (ev): -48.8796 -48.8796 -48.8748 -48.8748 -20.9430 -20.9430 -20.9248 -20.9248 -20.7752 -20.7752 -20.7631 -20.7631 -20.7472 -20.7472 -20.7170 -20.7170 -10.9657 -10.9657 -1.9949 -1.9949 -0.3928 -0.3928 0.1394 0.1394 0.9313 0.9313 6.3973 6.3973 6.5685 6.5685 7.4587 7.4587 8.3840 8.3840 k = 0.2733-0.2564 0.2915 ( 4513 PWs) bands (ev): -48.8795 -48.8795 -48.8749 -48.8749 -20.9427 -20.9427 -20.9256 -20.9256 -20.7750 -20.7750 -20.7642 -20.7642 -20.7461 -20.7461 -20.7170 -20.7170 -10.9625 -10.9625 -1.9962 -1.9962 -0.4197 -0.4197 0.1333 0.1333 0.9496 0.9496 6.4468 6.4468 6.5677 6.5677 7.4847 7.4847 8.3408 8.3408 k = 0.2818-0.2644 0.3006 ( 4513 PWs) bands (ev): -48.8794 -48.8794 -48.8750 -48.8750 -20.9423 -20.9423 -20.9265 -20.9265 -20.7748 -20.7748 -20.7654 -20.7654 -20.7449 -20.7449 -20.7171 -20.7171 -10.9595 -10.9595 -1.9956 -1.9956 -0.4465 -0.4465 0.1272 0.1272 0.9641 0.9641 6.4989 6.4989 6.5696 6.5696 7.5129 7.5129 8.2996 8.2996 k = 0.2904-0.2724 0.3097 ( 4511 PWs) bands (ev): -48.8793 -48.8793 -48.8751 -48.8751 -20.9420 -20.9420 -20.9274 -20.9274 -20.7746 -20.7746 -20.7666 -20.7666 -20.7438 -20.7438 -20.7172 -20.7172 -10.9565 -10.9565 -1.9932 -1.9932 -0.4729 -0.4729 0.1210 0.1210 0.9748 0.9748 6.5534 6.5534 6.5742 6.5742 7.5433 7.5433 8.2603 8.2603 k = 0.2989-0.2804 0.3188 ( 4507 PWs) bands (ev): -48.8791 -48.8791 -48.8752 -48.8752 -20.9417 -20.9417 -20.9282 -20.9282 -20.7744 -20.7744 -20.7676 -20.7676 -20.7427 -20.7427 -20.7172 -20.7172 -10.9537 -10.9537 -1.9891 -1.9891 -0.4991 -0.4991 0.1148 0.1148 0.9819 0.9819 6.5815 6.5815 6.6104 6.6104 7.5758 7.5758 8.2231 8.2231 k = 0.3075-0.2884 0.3279 ( 4503 PWs) bands (ev): -48.8790 -48.8790 -48.8753 -48.8753 -20.9414 -20.9414 -20.9290 -20.9290 -20.7743 -20.7743 -20.7687 -20.7687 -20.7416 -20.7416 -20.7172 -20.7172 -10.9509 -10.9509 -1.9833 -1.9833 -0.5248 -0.5248 0.1086 0.1086 0.9855 0.9855 6.5915 6.5915 6.6699 6.6699 7.6103 7.6103 8.1881 8.1881 k = 0.3160-0.2964 0.3370 ( 4507 PWs) bands (ev): -48.8789 -48.8789 -48.8754 -48.8754 -20.9411 -20.9411 -20.9299 -20.9299 -20.7742 -20.7742 -20.7697 -20.7697 -20.7405 -20.7405 -20.7173 -20.7173 -10.9483 -10.9483 -1.9760 -1.9760 -0.5500 -0.5500 0.1025 0.1025 0.9855 0.9855 6.6040 6.6040 6.7318 6.7318 7.6466 7.6466 8.1555 8.1555 k = 0.3245-0.3044 0.3461 ( 4503 PWs) bands (ev): -48.8788 -48.8788 -48.8755 -48.8755 -20.9408 -20.9408 -20.9307 -20.9307 -20.7741 -20.7741 -20.7706 -20.7706 -20.7394 -20.7394 -20.7173 -20.7173 -10.9458 -10.9458 -1.9673 -1.9673 -0.5746 -0.5746 0.0963 0.0963 0.9824 0.9824 6.6188 6.6188 6.7960 6.7960 7.6848 7.6848 8.1255 8.1255 k = 0.3331-0.3124 0.3552 ( 4495 PWs) bands (ev): -48.8787 -48.8787 -48.8756 -48.8756 -20.9406 -20.9406 -20.9314 -20.9314 -20.7741 -20.7741 -20.7714 -20.7714 -20.7383 -20.7383 -20.7173 -20.7173 -10.9434 -10.9434 -1.9573 -1.9573 -0.5985 -0.5985 0.0903 0.0903 0.9762 0.9762 6.6357 6.6357 6.8626 6.8626 7.7246 7.7246 8.0982 8.0982 k = 0.3416-0.3205 0.3643 ( 4491 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9403 -20.9403 -20.9322 -20.9322 -20.7743 -20.7743 -20.7720 -20.7720 -20.7374 -20.7374 -20.7173 -20.7173 -10.9411 -10.9411 -1.9461 -1.9461 -0.6218 -0.6218 0.0843 0.0843 0.9672 0.9672 6.6543 6.6543 6.9315 6.9315 7.7658 7.7658 8.0739 8.0739 k = 0.3502-0.3285 0.3734 ( 4491 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9401 -20.9401 -20.9329 -20.9329 -20.7748 -20.7748 -20.7723 -20.7723 -20.7364 -20.7364 -20.7173 -20.7173 -10.9389 -10.9389 -1.9338 -1.9338 -0.6442 -0.6442 0.0785 0.0785 0.9557 0.9557 6.6744 6.6744 7.0027 7.0027 7.8083 7.8083 8.0526 8.0526 k = 0.3587-0.3365 0.3825 ( 4487 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9399 -20.9399 -20.9336 -20.9336 -20.7755 -20.7755 -20.7723 -20.7723 -20.7355 -20.7355 -20.7173 -20.7173 -10.9369 -10.9369 -1.9207 -1.9207 -0.6657 -0.6657 0.0728 0.0728 0.9420 0.9420 6.6955 6.6955 7.0760 7.0760 7.8519 7.8519 8.0347 8.0347 k = 0.3672-0.3445 0.3916 ( 4491 PWs) bands (ev): -48.8783 -48.8783 -48.8760 -48.8760 -20.9397 -20.9397 -20.9343 -20.9343 -20.7763 -20.7763 -20.7723 -20.7723 -20.7346 -20.7346 -20.7174 -20.7174 -10.9350 -10.9350 -1.9067 -1.9067 -0.6864 -0.6864 0.0673 0.0673 0.9264 0.9264 6.7171 6.7171 7.1514 7.1514 7.8962 7.8962 8.0203 8.0203 k = 0.3758-0.3525 0.4007 ( 4494 PWs) bands (ev): -48.8782 -48.8782 -48.8761 -48.8761 -20.9395 -20.9395 -20.9350 -20.9350 -20.7771 -20.7771 -20.7722 -20.7722 -20.7337 -20.7337 -20.7174 -20.7174 -10.9332 -10.9332 -1.8923 -1.8923 -0.7060 -0.7060 0.0621 0.0621 0.9092 0.9092 6.7389 6.7389 7.2289 7.2289 7.9410 7.9410 8.0096 8.0096 k = 0.3843-0.3605 0.4099 ( 4504 PWs) bands (ev): -48.8781 -48.8781 -48.8762 -48.8762 -20.9394 -20.9394 -20.9356 -20.9356 -20.7779 -20.7779 -20.7721 -20.7721 -20.7329 -20.7329 -20.7174 -20.7174 -10.9316 -10.9316 -1.8774 -1.8774 -0.7246 -0.7246 0.0570 0.0570 0.8909 0.8909 6.7604 6.7604 7.3084 7.3084 7.9860 7.9860 8.0025 8.0025 k = 0.3929-0.3685 0.4190 ( 4490 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9392 -20.9392 -20.9362 -20.9362 -20.7786 -20.7786 -20.7719 -20.7719 -20.7321 -20.7321 -20.7174 -20.7174 -10.9301 -10.9301 -1.8623 -1.8623 -0.7421 -0.7421 0.0522 0.0522 0.8717 0.8717 6.7812 6.7812 7.3898 7.3898 7.9991 7.9991 8.0308 8.0308 k = 0.4014-0.3765 0.4281 ( 4490 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9390 -20.9390 -20.9367 -20.9367 -20.7792 -20.7792 -20.7718 -20.7718 -20.7314 -20.7314 -20.7174 -20.7174 -10.9287 -10.9287 -1.8472 -1.8472 -0.7585 -0.7585 0.0477 0.0477 0.8522 0.8522 6.8008 6.8008 7.4730 7.4730 7.9994 7.9994 8.0751 8.0751 k = 0.4100-0.3845 0.4372 ( 4490 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9389 -20.9389 -20.9372 -20.9372 -20.7799 -20.7799 -20.7716 -20.7716 -20.7307 -20.7307 -20.7175 -20.7175 -10.9274 -10.9274 -1.8324 -1.8324 -0.7737 -0.7737 0.0435 0.0435 0.8325 0.8325 6.8191 6.8191 7.5579 7.5579 8.0031 8.0031 8.1184 8.1184 k = 0.4185-0.3926 0.4463 ( 4496 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9376 -20.9376 -20.7805 -20.7805 -20.7715 -20.7715 -20.7301 -20.7301 -20.7175 -20.7175 -10.9262 -10.9262 -1.8180 -1.8180 -0.7876 -0.7876 0.0396 0.0396 0.8131 0.8131 6.8358 6.8358 7.6444 7.6444 8.0098 8.0098 8.1602 8.1602 k = 0.4270-0.4006 0.4554 ( 4498 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7811 -20.7811 -20.7714 -20.7714 -20.7295 -20.7295 -20.7175 -20.7175 -10.9252 -10.9252 -1.8042 -1.8042 -0.8003 -0.8003 0.0360 0.0360 0.7945 0.7945 6.8506 6.8506 7.7323 7.7323 8.0192 8.0192 8.2001 8.2001 k = 0.4270-0.4006 0.4554 ( 4498 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7811 -20.7811 -20.7714 -20.7714 -20.7295 -20.7295 -20.7175 -20.7175 -10.9252 -10.9252 -1.8042 -1.8042 -0.8003 -0.8003 0.0360 0.0360 0.7945 0.7945 6.8506 6.8506 7.7323 7.7323 8.0192 8.0192 8.2001 8.2001 k = 0.4292-0.3875 0.4497 ( 4492 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9388 -20.9388 -20.9377 -20.9377 -20.7807 -20.7807 -20.7714 -20.7714 -20.7299 -20.7299 -20.7175 -20.7175 -10.9259 -10.9259 -1.8126 -1.8126 -0.7923 -0.7923 0.0383 0.0383 0.8061 0.8061 6.8424 6.8424 7.6717 7.6717 8.0180 8.0180 8.1747 8.1747 k = 0.4315-0.3743 0.4439 ( 4490 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9388 -20.9388 -20.9375 -20.9375 -20.7803 -20.7803 -20.7714 -20.7714 -20.7303 -20.7303 -20.7176 -20.7176 -10.9267 -10.9267 -1.8212 -1.8212 -0.7836 -0.7836 0.0409 0.0409 0.8179 0.8179 6.8353 6.8353 7.6039 7.6039 8.0255 8.0255 8.1473 8.1473 k = 0.4337-0.3612 0.4382 ( 4488 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9387 -20.9387 -20.9372 -20.9372 -20.7799 -20.7799 -20.7714 -20.7714 -20.7307 -20.7307 -20.7178 -20.7178 -10.9277 -10.9277 -1.8300 -1.8300 -0.7739 -0.7739 0.0439 0.0439 0.8298 0.8298 6.8287 6.8287 7.5323 7.5323 8.0391 8.0391 8.1181 8.1181 k = 0.4359-0.3481 0.4325 ( 4489 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9387 -20.9387 -20.9369 -20.9369 -20.7795 -20.7795 -20.7713 -20.7713 -20.7311 -20.7311 -20.7180 -20.7180 -10.9289 -10.9289 -1.8390 -1.8390 -0.7631 -0.7631 0.0472 0.0472 0.8416 0.8416 6.8225 6.8225 7.4594 7.4594 8.0573 8.0573 8.0873 8.0873 k = 0.4381-0.3350 0.4268 ( 4497 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9386 -20.9386 -20.9366 -20.9366 -20.7790 -20.7790 -20.7713 -20.7713 -20.7316 -20.7316 -20.7184 -20.7184 -10.9302 -10.9302 -1.8483 -1.8483 -0.7511 -0.7511 0.0507 0.0507 0.8531 0.8531 6.8159 6.8159 7.3871 7.3871 8.0551 8.0551 8.0792 8.0792 k = 0.4403-0.3219 0.4211 ( 4493 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9384 -20.9384 -20.9363 -20.9363 -20.7785 -20.7785 -20.7711 -20.7711 -20.7321 -20.7321 -20.7188 -20.7188 -10.9316 -10.9316 -1.8578 -1.8578 -0.7378 -0.7378 0.0545 0.0545 0.8641 0.8641 6.8081 6.8081 7.3171 7.3171 8.0218 8.0218 8.1042 8.1042 k = 0.4425-0.3088 0.4153 ( 4492 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9382 -20.9382 -20.9359 -20.9359 -20.7780 -20.7780 -20.7709 -20.7709 -20.7326 -20.7326 -20.7193 -20.7193 -10.9331 -10.9331 -1.8675 -1.8675 -0.7231 -0.7231 0.0586 0.0586 0.8744 0.8744 6.7978 6.7978 7.2514 7.2514 7.9875 7.9875 8.1320 8.1320 k = 0.4447-0.2957 0.4096 ( 4494 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9380 -20.9380 -20.9356 -20.9356 -20.7774 -20.7774 -20.7707 -20.7707 -20.7332 -20.7332 -20.7198 -20.7198 -10.9347 -10.9347 -1.8775 -1.8775 -0.7070 -0.7070 0.0628 0.0628 0.8838 0.8838 6.7832 6.7832 7.1922 7.1922 7.9526 7.9526 8.1623 8.1623 k = 0.4469-0.2826 0.4039 ( 4494 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9378 -20.9378 -20.9352 -20.9352 -20.7767 -20.7767 -20.7704 -20.7704 -20.7339 -20.7339 -20.7204 -20.7204 -10.9365 -10.9365 -1.8878 -1.8878 -0.6894 -0.6894 0.0672 0.0672 0.8923 0.8923 6.7623 6.7623 7.1419 7.1419 7.9171 7.9171 8.1949 8.1949 k = 0.4491-0.2695 0.3982 ( 4490 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9375 -20.9375 -20.9348 -20.9348 -20.7761 -20.7761 -20.7700 -20.7700 -20.7345 -20.7345 -20.7211 -20.7211 -10.9382 -10.9382 -1.8982 -1.8982 -0.6703 -0.6703 0.0719 0.0719 0.8996 0.8996 6.7332 6.7332 7.1026 7.1026 7.8813 7.8813 8.2296 8.2296 k = 0.4514-0.2564 0.3925 ( 4490 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9373 -20.9373 -20.9345 -20.9345 -20.7754 -20.7754 -20.7697 -20.7697 -20.7351 -20.7351 -20.7218 -20.7218 -10.9401 -10.9401 -1.9089 -1.9089 -0.6498 -0.6498 0.0766 0.0766 0.9056 0.9056 6.6955 6.6955 7.0750 7.0750 7.8453 7.8453 8.2663 8.2663 k = 0.4536-0.2433 0.3867 ( 4490 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9369 -20.9369 -20.9341 -20.9341 -20.7747 -20.7747 -20.7692 -20.7692 -20.7358 -20.7358 -20.7226 -20.7226 -10.9420 -10.9420 -1.9197 -1.9197 -0.6277 -0.6277 0.0814 0.0814 0.9102 0.9102 6.6503 6.6503 7.0583 7.0583 7.8095 7.8095 8.3047 8.3047 k = 0.4558-0.2302 0.3810 ( 4491 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9366 -20.9366 -20.9338 -20.9338 -20.7740 -20.7740 -20.7688 -20.7688 -20.7365 -20.7365 -20.7235 -20.7235 -10.9439 -10.9439 -1.9305 -1.9305 -0.6044 -0.6044 0.0863 0.0863 0.9134 0.9134 6.5997 6.5997 7.0503 7.0503 7.7740 7.7740 8.3446 8.3446 k = 0.4580-0.2170 0.3753 ( 4491 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9363 -20.9363 -20.9334 -20.9334 -20.7733 -20.7733 -20.7683 -20.7683 -20.7373 -20.7373 -20.7244 -20.7244 -10.9459 -10.9459 -1.9415 -1.9415 -0.5796 -0.5796 0.0912 0.0912 0.9149 0.9149 6.5460 6.5460 7.0488 7.0488 7.7389 7.7389 8.3859 8.3859 k = 0.4602-0.2039 0.3696 ( 4489 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9360 -20.9360 -20.9330 -20.9330 -20.7725 -20.7725 -20.7677 -20.7677 -20.7380 -20.7380 -20.7254 -20.7254 -10.9478 -10.9478 -1.9523 -1.9523 -0.5537 -0.5537 0.0962 0.0962 0.9147 0.9147 6.4912 6.4912 7.0521 7.0521 7.7045 7.7045 8.4284 8.4284 k = 0.4624-0.1908 0.3639 ( 4491 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9356 -20.9356 -20.9327 -20.9327 -20.7717 -20.7717 -20.7671 -20.7671 -20.7388 -20.7388 -20.7264 -20.7264 -10.9498 -10.9498 -1.9631 -1.9631 -0.5267 -0.5267 0.1011 0.1011 0.9129 0.9129 6.4365 6.4365 7.0587 7.0587 7.6709 7.6709 8.4718 8.4718 k = 0.4646-0.1777 0.3581 ( 4495 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9353 -20.9353 -20.9323 -20.9323 -20.7709 -20.7709 -20.7664 -20.7664 -20.7397 -20.7397 -20.7275 -20.7275 -10.9517 -10.9517 -1.9737 -1.9737 -0.4988 -0.4988 0.1059 0.1059 0.9095 0.9095 6.3830 6.3830 7.0678 7.0678 7.6382 7.6382 8.5159 8.5159 k = 0.4668-0.1646 0.3524 ( 4500 PWs) bands (ev): -48.8780 -48.8780 -48.8764 -48.8764 -20.9350 -20.9350 -20.9320 -20.9320 -20.7701 -20.7701 -20.7658 -20.7658 -20.7405 -20.7405 -20.7286 -20.7286 -10.9536 -10.9536 -1.9841 -1.9841 -0.4701 -0.4701 0.1107 0.1107 0.9044 0.9044 6.3313 6.3313 7.0786 7.0786 7.6068 7.6068 8.5604 8.5604 k = 0.4690-0.1515 0.3467 ( 4496 PWs) bands (ev): -48.8780 -48.8780 -48.8764 -48.8764 -20.9346 -20.9346 -20.9317 -20.9317 -20.7692 -20.7692 -20.7650 -20.7650 -20.7413 -20.7413 -20.7297 -20.7297 -10.9554 -10.9554 -1.9941 -1.9941 -0.4408 -0.4408 0.1153 0.1153 0.8977 0.8977 6.2819 6.2819 7.0905 7.0905 7.5766 7.5766 8.6049 8.6049 k = 0.4713-0.1384 0.3410 ( 4494 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9343 -20.9343 -20.9313 -20.9313 -20.7683 -20.7683 -20.7642 -20.7642 -20.7422 -20.7422 -20.7309 -20.7309 -10.9571 -10.9571 -2.0038 -2.0038 -0.4112 -0.4112 0.1198 0.1198 0.8896 0.8896 6.2352 6.2352 7.1032 7.1032 7.5479 7.5479 8.6492 8.6492 k = 0.4735-0.1253 0.3353 ( 4506 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9340 -20.9340 -20.9311 -20.9311 -20.7675 -20.7675 -20.7634 -20.7634 -20.7431 -20.7431 -20.7321 -20.7321 -10.9588 -10.9588 -2.0130 -2.0130 -0.3815 -0.3815 0.1240 0.1240 0.8801 0.8801 6.1913 6.1913 7.1163 7.1163 7.5207 7.5207 8.6928 8.6928 k = 0.4757-0.1122 0.3295 ( 4505 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9337 -20.9337 -20.9308 -20.9308 -20.7665 -20.7665 -20.7626 -20.7626 -20.7440 -20.7440 -20.7334 -20.7334 -10.9604 -10.9604 -2.0218 -2.0218 -0.3520 -0.3520 0.1281 0.1281 0.8694 0.8694 6.1506 6.1506 7.1294 7.1294 7.4953 7.4953 8.7354 8.7354 k = 0.4779-0.0991 0.3238 ( 4502 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9334 -20.9334 -20.9305 -20.9305 -20.7656 -20.7656 -20.7617 -20.7617 -20.7449 -20.7449 -20.7346 -20.7346 -10.9619 -10.9619 -2.0299 -2.0299 -0.3230 -0.3230 0.1319 0.1319 0.8579 0.8579 6.1131 6.1131 7.1423 7.1423 7.4716 7.4716 8.7764 8.7764 k = 0.4801-0.0860 0.3181 ( 4510 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9332 -20.9332 -20.9303 -20.9303 -20.7647 -20.7647 -20.7608 -20.7608 -20.7458 -20.7458 -20.7359 -20.7359 -10.9633 -10.9633 -2.0375 -2.0375 -0.2948 -0.2948 0.1355 0.1355 0.8457 0.8457 6.0790 6.0790 7.1548 7.1548 7.4499 7.4499 8.8156 8.8156 k = 0.4823-0.0729 0.3124 ( 4510 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9329 -20.9329 -20.9301 -20.9301 -20.7637 -20.7637 -20.7599 -20.7599 -20.7467 -20.7467 -20.7371 -20.7371 -10.9646 -10.9646 -2.0444 -2.0444 -0.2678 -0.2678 0.1387 0.1387 0.8331 0.8331 6.0483 6.0483 7.1666 7.1666 7.4302 7.4302 8.8523 8.8523 k = 0.4845-0.0597 0.3066 ( 4509 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9327 -20.9327 -20.9299 -20.9299 -20.7628 -20.7628 -20.7589 -20.7589 -20.7476 -20.7476 -20.7383 -20.7383 -10.9658 -10.9658 -2.0506 -2.0506 -0.2425 -0.2425 0.1416 0.1416 0.8206 0.8206 6.0212 6.0212 7.1774 7.1774 7.4126 7.4126 8.8862 8.8862 k = 0.4867-0.0466 0.3009 ( 4509 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9325 -20.9325 -20.9297 -20.9297 -20.7618 -20.7618 -20.7580 -20.7580 -20.7486 -20.7486 -20.7395 -20.7395 -10.9668 -10.9668 -2.0561 -2.0561 -0.2192 -0.2192 0.1442 0.1442 0.8085 0.8085 5.9976 5.9976 7.1873 7.1873 7.3972 7.3972 8.9167 8.9167 k = 0.4889-0.0335 0.2952 ( 4511 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9323 -20.9323 -20.9295 -20.9295 -20.7608 -20.7608 -20.7572 -20.7572 -20.7495 -20.7495 -20.7407 -20.7407 -10.9676 -10.9676 -2.0607 -2.0607 -0.1984 -0.1984 0.1464 0.1464 0.7972 0.7972 5.9776 5.9776 7.1959 7.1959 7.3841 7.3841 8.9434 8.9434 k = 0.4912-0.0204 0.2895 ( 4514 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9322 -20.9322 -20.9294 -20.9294 -20.7598 -20.7598 -20.7564 -20.7564 -20.7503 -20.7503 -20.7418 -20.7418 -10.9684 -10.9684 -2.0646 -2.0646 -0.1806 -0.1806 0.1483 0.1483 0.7872 0.7872 5.9612 5.9612 7.2031 7.2031 7.3732 7.3732 8.9658 8.9658 k = 0.4934-0.0073 0.2838 ( 4505 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9320 -20.9320 -20.9293 -20.9293 -20.7589 -20.7589 -20.7557 -20.7557 -20.7510 -20.7510 -20.7427 -20.7427 -10.9689 -10.9689 -2.0676 -2.0676 -0.1661 -0.1661 0.1497 0.1497 0.7789 0.7789 5.9484 5.9484 7.2089 7.2089 7.3648 7.3648 8.9837 8.9837 k = 0.4956 0.0058 0.2780 ( 4509 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9320 -20.9320 -20.9292 -20.9292 -20.7580 -20.7580 -20.7554 -20.7554 -20.7516 -20.7516 -20.7435 -20.7435 -10.9693 -10.9693 -2.0698 -2.0698 -0.1555 -0.1555 0.1507 0.1507 0.7726 0.7726 5.9393 5.9393 7.2130 7.2130 7.3587 7.3587 8.9967 8.9967 k = 0.4978 0.0189 0.2723 ( 4502 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9319 -20.9319 -20.9292 -20.9292 -20.7571 -20.7571 -20.7555 -20.7555 -20.7518 -20.7518 -20.7440 -20.7440 -10.9696 -10.9696 -2.0711 -2.0711 -0.1490 -0.1490 0.1514 0.1514 0.7687 0.7687 5.9338 5.9338 7.2156 7.2156 7.3550 7.3550 9.0046 9.0046 k = 0.5000 0.0320 0.2666 ( 4508 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9319 -20.9319 -20.9292 -20.9292 -20.7568 -20.7568 -20.7556 -20.7556 -20.7519 -20.7519 -20.7442 -20.7442 -10.9696 -10.9696 -2.0716 -2.0716 -0.1468 -0.1468 0.1516 0.1516 0.7674 0.7674 5.9320 5.9320 7.2164 7.2164 7.3538 7.3538 9.0073 9.0073 k = 0.5000 0.0320 0.2666 ( 4508 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9319 -20.9319 -20.9292 -20.9292 -20.7568 -20.7568 -20.7556 -20.7556 -20.7519 -20.7519 -20.7442 -20.7442 -10.9696 -10.9696 -2.0716 -2.0716 -0.1468 -0.1468 0.1516 0.1516 0.7674 0.7674 5.9320 5.9320 7.2164 7.2164 7.3538 7.3538 9.0073 9.0073 k = 0.4934 0.0382 0.2782 ( 4508 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9319 -20.9319 -20.9292 -20.9292 -20.7570 -20.7570 -20.7556 -20.7556 -20.7519 -20.7519 -20.7441 -20.7441 -10.9695 -10.9695 -2.0710 -2.0710 -0.1468 -0.1468 0.1492 0.1492 0.7688 0.7688 5.9329 5.9329 7.1816 7.1816 7.3871 7.3871 9.0100 9.0100 k = 0.4868 0.0444 0.2898 ( 4512 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9320 -20.9320 -20.9292 -20.9292 -20.7574 -20.7574 -20.7554 -20.7554 -20.7517 -20.7517 -20.7440 -20.7440 -10.9692 -10.9692 -2.0694 -2.0694 -0.1469 -0.1469 0.1423 0.1423 0.7729 0.7729 5.9356 5.9356 7.1146 7.1146 7.4495 7.4495 9.0183 9.0183 k = 0.4803 0.0505 0.3014 ( 4508 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9320 -20.9320 -20.9292 -20.9292 -20.7579 -20.7579 -20.7553 -20.7553 -20.7515 -20.7515 -20.7439 -20.7439 -10.9686 -10.9686 -2.0668 -2.0668 -0.1471 -0.1471 0.1310 0.1310 0.7795 0.7795 5.9400 5.9400 7.0394 7.0394 7.5171 7.5171 9.0320 9.0320 k = 0.4737 0.0567 0.3130 ( 4512 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9321 -20.9321 -20.9293 -20.9293 -20.7585 -20.7585 -20.7553 -20.7553 -20.7512 -20.7512 -20.7436 -20.7436 -10.9679 -10.9679 -2.0631 -2.0631 -0.1473 -0.1473 0.1157 0.1157 0.7883 0.7883 5.9461 5.9461 6.9610 6.9610 7.5850 7.5850 9.0512 9.0512 k = 0.4671 0.0629 0.3246 ( 4516 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9322 -20.9322 -20.9294 -20.9294 -20.7591 -20.7591 -20.7554 -20.7554 -20.7508 -20.7508 -20.7433 -20.7433 -10.9669 -10.9669 -2.0584 -2.0584 -0.1476 -0.1476 0.0968 0.0968 0.7990 0.7990 5.9539 5.9539 6.8809 6.8809 7.6519 7.6519 9.0756 9.0756 k = 0.4605 0.0690 0.3362 ( 4518 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9323 -20.9323 -20.9294 -20.9294 -20.7598 -20.7598 -20.7556 -20.7556 -20.7504 -20.7504 -20.7430 -20.7430 -10.9657 -10.9657 -2.0526 -2.0526 -0.1480 -0.1480 0.0747 0.0747 0.8111 0.8111 5.9634 5.9634 6.7997 6.7997 7.7173 7.7173 9.1052 9.1052 k = 0.4539 0.0752 0.3478 ( 4522 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9325 -20.9325 -20.9295 -20.9295 -20.7604 -20.7604 -20.7559 -20.7559 -20.7499 -20.7499 -20.7427 -20.7427 -10.9643 -10.9643 -2.0459 -2.0459 -0.1485 -0.1485 0.0499 0.0499 0.8244 0.8244 5.9743 5.9743 6.7179 6.7179 7.7810 7.7810 9.1399 9.1399 k = 0.4474 0.0814 0.3594 ( 4524 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9327 -20.9327 -20.9296 -20.9296 -20.7610 -20.7610 -20.7563 -20.7563 -20.7494 -20.7494 -20.7423 -20.7423 -10.9628 -10.9628 -2.0383 -2.0383 -0.1491 -0.1491 0.0228 0.0228 0.8385 0.8385 5.9868 5.9868 6.6357 6.6357 7.8428 7.8428 9.1795 9.1795 k = 0.4408 0.0876 0.3710 ( 4522 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9328 -20.9328 -20.9297 -20.9297 -20.7616 -20.7616 -20.7567 -20.7567 -20.7488 -20.7488 -20.7419 -20.7419 -10.9610 -10.9610 -2.0297 -2.0297 -0.1498 -0.1498 -0.0061 -0.0061 0.8532 0.8532 6.0006 6.0006 6.5536 6.5536 7.9028 7.9028 9.2237 9.2237 k = 0.4342 0.0937 0.3826 ( 4516 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9330 -20.9330 -20.9298 -20.9298 -20.7622 -20.7622 -20.7571 -20.7571 -20.7483 -20.7483 -20.7414 -20.7414 -10.9591 -10.9591 -2.0203 -2.0203 -0.1506 -0.1506 -0.0367 -0.0367 0.8682 0.8682 6.0158 6.0158 6.4717 6.4717 7.9608 7.9608 9.2723 9.2723 k = 0.4276 0.0999 0.3942 ( 4526 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9332 -20.9332 -20.9300 -20.9300 -20.7628 -20.7628 -20.7575 -20.7575 -20.7478 -20.7478 -20.7411 -20.7411 -10.9570 -10.9570 -2.0100 -2.0100 -0.1516 -0.1516 -0.0684 -0.0684 0.8832 0.8832 6.0321 6.0321 6.3903 6.3903 8.0169 8.0169 9.3252 9.3252 k = 0.4211 0.1061 0.4058 ( 4528 PWs) bands (ev): -48.8779 -48.8779 -48.8765 -48.8765 -20.9334 -20.9334 -20.9301 -20.9301 -20.7634 -20.7634 -20.7580 -20.7580 -20.7473 -20.7473 -20.7407 -20.7407 -10.9548 -10.9548 -1.9989 -1.9989 -0.1527 -0.1527 -0.1011 -0.1011 0.8983 0.8983 6.0495 6.0495 6.3098 6.3098 8.0712 8.0712 9.3819 9.3819 k = 0.4145 0.1122 0.4174 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9336 -20.9336 -20.9303 -20.9303 -20.7640 -20.7640 -20.7584 -20.7584 -20.7467 -20.7467 -20.7402 -20.7402 -10.9525 -10.9525 -1.9872 -1.9872 -0.1541 -0.1541 -0.1342 -0.1342 0.9132 0.9132 6.0679 6.0679 6.2302 6.2302 8.1236 8.1236 9.4423 9.4423 k = 0.4079 0.1184 0.4290 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9338 -20.9338 -20.9304 -20.9304 -20.7645 -20.7645 -20.7588 -20.7588 -20.7462 -20.7462 -20.7398 -20.7398 -10.9501 -10.9501 -1.9747 -1.9747 -0.1686 -0.1686 -0.1549 -0.1549 0.9278 0.9278 6.0872 6.0872 6.1519 6.1519 8.1742 8.1742 9.5058 9.5058 k = 0.4013 0.1246 0.4406 ( 4522 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9341 -20.9341 -20.9305 -20.9305 -20.7651 -20.7651 -20.7593 -20.7593 -20.7457 -20.7457 -20.7393 -20.7393 -10.9475 -10.9475 -1.9617 -1.9617 -0.2023 -0.2023 -0.1568 -0.1568 0.9421 0.9421 6.0750 6.0750 6.1072 6.1072 8.2231 8.2231 9.5722 9.5722 k = 0.3947 0.1308 0.4522 ( 4520 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9343 -20.9343 -20.9307 -20.9307 -20.7656 -20.7656 -20.7597 -20.7597 -20.7452 -20.7452 -20.7389 -20.7389 -10.9449 -10.9449 -1.9481 -1.9481 -0.2361 -0.2361 -0.1586 -0.1586 0.9559 0.9559 5.9999 5.9999 6.1279 6.1279 8.2703 8.2703 9.6411 9.6411 k = 0.3882 0.1369 0.4638 ( 4518 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9345 -20.9345 -20.9309 -20.9309 -20.7661 -20.7661 -20.7601 -20.7601 -20.7447 -20.7447 -20.7385 -20.7385 -10.9423 -10.9423 -1.9341 -1.9341 -0.2697 -0.2697 -0.1606 -0.1606 0.9694 0.9694 5.9266 5.9266 6.1491 6.1491 8.3158 8.3158 9.7119 9.7119 k = 0.3816 0.1431 0.4754 ( 4518 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9348 -20.9348 -20.9311 -20.9311 -20.7667 -20.7667 -20.7605 -20.7605 -20.7443 -20.7443 -20.7381 -20.7381 -10.9395 -10.9395 -1.9197 -1.9197 -0.3030 -0.3030 -0.1628 -0.1628 0.9823 0.9823 5.8554 5.8554 6.1707 6.1707 8.3596 8.3596 9.7843 9.7843 k = 0.3750 0.1493 0.4870 ( 4508 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9350 -20.9350 -20.9312 -20.9312 -20.7671 -20.7671 -20.7609 -20.7609 -20.7438 -20.7438 -20.7377 -20.7377 -10.9368 -10.9368 -1.9050 -1.9050 -0.3357 -0.3357 -0.1651 -0.1651 0.9947 0.9947 5.7866 5.7866 6.1925 6.1925 8.4018 8.4018 9.8575 9.8575 k = 0.3684 0.1554 0.4986 ( 4506 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9352 -20.9352 -20.9314 -20.9314 -20.7675 -20.7675 -20.7613 -20.7613 -20.7434 -20.7434 -20.7373 -20.7373 -10.9341 -10.9341 -1.8902 -1.8902 -0.3676 -0.3676 -0.1676 -0.1676 1.0066 1.0066 5.7201 5.7201 6.2145 6.2145 8.4423 8.4423 9.9300 9.9300 k = 0.3618 0.1616 0.5102 ( 4504 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9355 -20.9355 -20.9316 -20.9316 -20.7680 -20.7680 -20.7617 -20.7617 -20.7430 -20.7430 -20.7370 -20.7370 -10.9314 -10.9314 -1.8752 -1.8752 -0.3986 -0.3986 -0.1703 -0.1703 1.0179 1.0179 5.6563 5.6563 6.2365 6.2365 8.4811 8.4811 9.9524 9.9524 k = 0.3553 0.1678 0.5217 ( 4506 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9357 -20.9357 -20.9318 -20.9318 -20.7684 -20.7684 -20.7620 -20.7620 -20.7426 -20.7426 -20.7367 -20.7367 -10.9287 -10.9287 -1.8603 -1.8603 -0.4286 -0.4286 -0.1731 -0.1731 1.0286 1.0286 5.5953 5.5953 6.2584 6.2584 8.5182 8.5182 9.9090 9.9090 k = 0.3487 0.1739 0.5333 ( 4502 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9359 -20.9359 -20.9319 -20.9319 -20.7688 -20.7688 -20.7624 -20.7624 -20.7422 -20.7422 -20.7363 -20.7363 -10.9260 -10.9260 -1.8454 -1.8454 -0.4575 -0.4575 -0.1761 -0.1761 1.0387 1.0387 5.5373 5.5373 6.2799 6.2799 8.5536 8.5536 9.8648 9.8648 k = 0.3421 0.1801 0.5449 ( 4506 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9361 -20.9361 -20.9321 -20.9321 -20.7692 -20.7692 -20.7627 -20.7627 -20.7419 -20.7419 -20.7360 -20.7360 -10.9235 -10.9235 -1.8308 -1.8308 -0.4851 -0.4851 -0.1791 -0.1791 1.0482 1.0482 5.4823 5.4823 6.3011 6.3011 8.5872 8.5872 9.8215 9.8215 k = 0.3355 0.1863 0.5565 ( 4510 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9364 -20.9364 -20.9323 -20.9323 -20.7695 -20.7695 -20.7631 -20.7631 -20.7416 -20.7416 -20.7357 -20.7357 -10.9210 -10.9210 -1.8165 -1.8165 -0.5112 -0.5112 -0.1822 -0.1822 1.0571 1.0571 5.4305 5.4305 6.3217 6.3217 8.6189 8.6189 9.7797 9.7797 k = 0.3289 0.1925 0.5681 ( 4514 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9366 -20.9366 -20.9325 -20.9325 -20.7699 -20.7699 -20.7634 -20.7634 -20.7413 -20.7413 -20.7355 -20.7355 -10.9186 -10.9186 -1.8027 -1.8027 -0.5359 -0.5359 -0.1854 -0.1854 1.0654 1.0654 5.3821 5.3821 6.3416 6.3416 8.6487 8.6487 9.7398 9.7398 k = 0.3224 0.1986 0.5797 ( 4518 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9368 -20.9368 -20.9327 -20.9327 -20.7702 -20.7702 -20.7637 -20.7637 -20.7411 -20.7411 -20.7353 -20.7353 -10.9164 -10.9164 -1.7894 -1.7894 -0.5589 -0.5589 -0.1885 -0.1885 1.0730 1.0730 5.3372 5.3372 6.3607 6.3607 8.6765 8.6765 9.7018 9.7018 k = 0.3158 0.2048 0.5913 ( 4514 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9370 -20.9370 -20.9328 -20.9328 -20.7705 -20.7705 -20.7639 -20.7639 -20.7408 -20.7408 -20.7350 -20.7350 -10.9143 -10.9143 -1.7768 -1.7768 -0.5802 -0.5802 -0.1916 -0.1916 1.0800 1.0800 5.2958 5.2958 6.3787 6.3787 8.7022 8.7022 9.6663 9.6663 k = 0.3092 0.2110 0.6029 ( 4516 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9372 -20.9372 -20.9329 -20.9329 -20.7707 -20.7707 -20.7641 -20.7641 -20.7406 -20.7406 -20.7348 -20.7348 -10.9123 -10.9123 -1.7650 -1.7650 -0.5998 -0.5998 -0.1946 -0.1946 1.0864 1.0864 5.2580 5.2580 6.3956 6.3956 8.7257 8.7257 9.6332 9.6332 k = 0.3026 0.2171 0.6145 ( 4514 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9373 -20.9373 -20.9331 -20.9331 -20.7709 -20.7709 -20.7643 -20.7643 -20.7404 -20.7404 -20.7346 -20.7346 -10.9106 -10.9106 -1.7540 -1.7540 -0.6175 -0.6175 -0.1975 -0.1975 1.0921 1.0921 5.2241 5.2241 6.4111 6.4111 8.7470 8.7470 9.6030 9.6030 k = 0.2961 0.2233 0.6261 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9375 -20.9375 -20.9332 -20.9332 -20.7712 -20.7712 -20.7645 -20.7645 -20.7402 -20.7402 -20.7345 -20.7345 -10.9089 -10.9089 -1.7441 -1.7441 -0.6333 -0.6333 -0.2002 -0.2002 1.0971 1.0971 5.1939 5.1939 6.4253 6.4253 8.7660 8.7660 9.5758 9.5758 k = 0.2895 0.2295 0.6377 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9376 -20.9376 -20.9333 -20.9333 -20.7713 -20.7713 -20.7647 -20.7647 -20.7401 -20.7401 -20.7344 -20.7344 -10.9075 -10.9075 -1.7353 -1.7353 -0.6471 -0.6471 -0.2026 -0.2026 1.1015 1.1015 5.1676 5.1676 6.4378 6.4378 8.7826 8.7826 9.5518 9.5518 k = 0.2829 0.2357 0.6493 ( 4526 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9377 -20.9377 -20.9334 -20.9334 -20.7715 -20.7715 -20.7649 -20.7649 -20.7400 -20.7400 -20.7343 -20.7343 -10.9063 -10.9063 -1.7277 -1.7277 -0.6588 -0.6588 -0.2048 -0.2048 1.1052 1.1052 5.1453 5.1453 6.4487 6.4487 8.7968 8.7968 9.5311 9.5311 k = 0.2763 0.2418 0.6609 ( 4528 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9378 -20.9378 -20.9335 -20.9335 -20.7716 -20.7716 -20.7650 -20.7650 -20.7399 -20.7399 -20.7342 -20.7342 -10.9053 -10.9053 -1.7213 -1.7213 -0.6685 -0.6685 -0.2066 -0.2066 1.1082 1.1082 5.1269 5.1269 6.4577 6.4577 8.8084 8.8084 9.5140 9.5140 k = 0.2697 0.2480 0.6725 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9378 -20.9378 -20.9336 -20.9336 -20.7717 -20.7717 -20.7650 -20.7650 -20.7397 -20.7397 -20.7341 -20.7341 -10.9045 -10.9045 -1.7163 -1.7163 -0.6760 -0.6760 -0.2080 -0.2080 1.1106 1.1106 5.1126 5.1126 6.4648 6.4648 8.8175 8.8175 9.5006 9.5006 k = 0.2632 0.2542 0.6841 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7717 -20.7717 -20.7651 -20.7651 -20.7397 -20.7397 -20.7340 -20.7340 -10.9039 -10.9039 -1.7127 -1.7127 -0.6815 -0.6815 -0.2091 -0.2091 1.1123 1.1123 5.1024 5.1024 6.4700 6.4700 8.8240 8.8240 9.4909 9.4909 k = 0.2566 0.2603 0.6957 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7718 -20.7718 -20.7651 -20.7651 -20.7397 -20.7397 -20.7340 -20.7340 -10.9036 -10.9036 -1.7105 -1.7105 -0.6847 -0.6847 -0.2097 -0.2097 1.1133 1.1133 5.0962 5.0962 6.4731 6.4731 8.8280 8.8280 9.4850 9.4850 k = 0.2500 0.2665 0.7073 ( 4524 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9379 -20.9379 -20.9336 -20.9336 -20.7718 -20.7718 -20.7652 -20.7652 -20.7396 -20.7396 -20.7340 -20.7340 -10.9035 -10.9035 -1.7097 -1.7097 -0.6858 -0.6858 -0.2100 -0.2100 1.1137 1.1137 5.0942 5.0942 6.4741 6.4741 8.8293 8.8293 9.4831 9.4831 k = 0.2841-0.2665 0.7073 ( 4507 PWs) bands (ev): -48.8785 -48.8785 -48.8757 -48.8757 -20.9408 -20.9408 -20.9350 -20.9350 -20.7769 -20.7769 -20.7741 -20.7741 -20.7370 -20.7370 -20.7173 -20.7173 -10.9046 -10.9046 -1.6377 -1.6377 -0.5476 -0.5476 -0.4644 -0.4644 0.8355 0.8355 6.1326 6.1326 7.4074 7.4074 7.7110 7.7110 9.0859 9.0859 k = 0.2906-0.2726 0.6959 ( 4508 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9407 -20.9407 -20.9353 -20.9353 -20.7772 -20.7772 -20.7740 -20.7740 -20.7364 -20.7364 -20.7173 -20.7173 -10.9056 -10.9056 -1.6500 -1.6500 -0.5675 -0.5675 -0.4342 -0.4342 0.8355 0.8355 6.1796 6.1796 7.4358 7.4358 7.7297 7.7297 9.0188 9.0188 k = 0.2971-0.2787 0.6844 ( 4506 PWs) bands (ev): -48.8784 -48.8784 -48.8758 -48.8758 -20.9405 -20.9405 -20.9355 -20.9355 -20.7776 -20.7776 -20.7738 -20.7738 -20.7358 -20.7358 -20.7174 -20.7174 -10.9067 -10.9067 -1.6622 -1.6622 -0.5870 -0.5870 -0.4034 -0.4034 0.8351 0.8351 6.2274 6.2274 7.4631 7.4631 7.7493 7.7493 8.9509 8.9509 k = 0.3036-0.2848 0.6730 ( 4505 PWs) bands (ev): -48.8783 -48.8783 -48.8759 -48.8759 -20.9404 -20.9404 -20.9358 -20.9358 -20.7779 -20.7779 -20.7737 -20.7737 -20.7352 -20.7352 -20.7174 -20.7174 -10.9079 -10.9079 -1.6742 -1.6742 -0.6059 -0.6059 -0.3722 -0.3722 0.8343 0.8343 6.2756 6.2756 7.4891 7.4891 7.7699 7.7699 8.8824 8.8824 k = 0.3101-0.2909 0.6615 ( 4503 PWs) bands (ev): -48.8782 -48.8782 -48.8760 -48.8760 -20.9402 -20.9402 -20.9360 -20.9360 -20.7782 -20.7782 -20.7735 -20.7735 -20.7347 -20.7347 -20.7174 -20.7174 -10.9091 -10.9091 -1.6859 -1.6859 -0.6243 -0.6243 -0.3407 -0.3407 0.8330 0.8330 6.3239 6.3239 7.5138 7.5138 7.7915 7.7915 8.8138 8.8138 k = 0.3166-0.2970 0.6501 ( 4495 PWs) bands (ev): -48.8782 -48.8782 -48.8760 -48.8760 -20.9401 -20.9401 -20.9361 -20.9361 -20.7785 -20.7785 -20.7733 -20.7733 -20.7341 -20.7341 -20.7174 -20.7174 -10.9104 -10.9104 -1.6974 -1.6974 -0.6419 -0.6419 -0.3091 -0.3091 0.8314 0.8314 6.3720 6.3720 7.5373 7.5373 7.8140 7.8140 8.7455 8.7455 k = 0.3231-0.3031 0.6386 ( 4499 PWs) bands (ev): -48.8781 -48.8781 -48.8761 -48.8761 -20.9400 -20.9400 -20.9364 -20.9364 -20.7788 -20.7788 -20.7732 -20.7732 -20.7336 -20.7336 -20.7174 -20.7174 -10.9117 -10.9117 -1.7085 -1.7085 -0.6589 -0.6589 -0.2776 -0.2776 0.8295 0.8295 6.4194 6.4194 7.5595 7.5595 7.8375 7.8375 8.6779 8.6779 k = 0.3296-0.3092 0.6272 ( 4503 PWs) bands (ev): -48.8781 -48.8781 -48.8761 -48.8761 -20.9399 -20.9399 -20.9366 -20.9366 -20.7791 -20.7791 -20.7730 -20.7730 -20.7332 -20.7332 -20.7174 -20.7174 -10.9130 -10.9130 -1.7192 -1.7192 -0.6750 -0.6750 -0.2465 -0.2465 0.8272 0.8272 6.4658 6.4658 7.5804 7.5804 7.8620 7.8620 8.6116 8.6116 k = 0.3361-0.3153 0.6157 ( 4507 PWs) bands (ev): -48.8781 -48.8781 -48.8762 -48.8762 -20.9398 -20.9398 -20.9367 -20.9367 -20.7794 -20.7794 -20.7728 -20.7728 -20.7327 -20.7327 -20.7175 -20.7175 -10.9143 -10.9143 -1.7294 -1.7294 -0.6904 -0.6904 -0.2160 -0.2160 0.8247 0.8247 6.5109 6.5109 7.5999 7.5999 7.8874 7.8874 8.5469 8.5469 k = 0.3426-0.3214 0.6043 ( 4507 PWs) bands (ev): -48.8780 -48.8780 -48.8762 -48.8762 -20.9397 -20.9397 -20.9369 -20.9369 -20.7796 -20.7796 -20.7726 -20.7726 -20.7323 -20.7323 -20.7175 -20.7175 -10.9156 -10.9156 -1.7391 -1.7391 -0.7049 -0.7049 -0.1862 -0.1862 0.8221 0.8221 6.5543 6.5543 7.6181 7.6181 7.9136 7.9136 8.4844 8.4844 k = 0.3491-0.3274 0.5928 ( 4511 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9396 -20.9396 -20.9371 -20.9371 -20.7799 -20.7799 -20.7725 -20.7725 -20.7319 -20.7319 -20.7175 -20.7175 -10.9168 -10.9168 -1.7482 -1.7482 -0.7185 -0.7185 -0.1573 -0.1573 0.8193 0.8193 6.5956 6.5956 7.6350 7.6350 7.9404 7.9404 8.4246 8.4246 k = 0.3556-0.3335 0.5813 ( 4511 PWs) bands (ev): -48.8780 -48.8780 -48.8763 -48.8763 -20.9395 -20.9395 -20.9372 -20.9372 -20.7801 -20.7801 -20.7723 -20.7723 -20.7316 -20.7316 -20.7175 -20.7175 -10.9180 -10.9180 -1.7568 -1.7568 -0.7312 -0.7312 -0.1297 -0.1297 0.8164 0.8164 6.6345 6.6345 7.6505 7.6505 7.9676 7.9676 8.3681 8.3681 k = 0.3621-0.3396 0.5699 ( 4508 PWs) bands (ev): -48.8779 -48.8779 -48.8763 -48.8763 -20.9394 -20.9394 -20.9373 -20.9373 -20.7803 -20.7803 -20.7722 -20.7722 -20.7312 -20.7312 -20.7175 -20.7175 -10.9191 -10.9191 -1.7648 -1.7648 -0.7429 -0.7429 -0.1035 -0.1035 0.8134 0.8134 6.6708 6.6708 7.6647 7.6647 7.9946 7.9946 8.3153 8.3153 k = 0.3686-0.3457 0.5584 ( 4514 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9393 -20.9393 -20.9375 -20.9375 -20.7805 -20.7805 -20.7720 -20.7720 -20.7309 -20.7309 -20.7175 -20.7175 -10.9202 -10.9202 -1.7720 -1.7720 -0.7536 -0.7536 -0.0790 -0.0790 0.8105 0.8105 6.7042 6.7042 7.6776 7.6776 8.0208 8.0208 8.2671 8.2671 k = 0.3751-0.3518 0.5470 ( 4514 PWs) bands (ev): -48.8779 -48.8779 -48.8764 -48.8764 -20.9393 -20.9393 -20.9376 -20.9376 -20.7806 -20.7806 -20.7719 -20.7719 -20.7306 -20.7306 -20.7175 -20.7175 -10.9212 -10.9212 -1.7786 -1.7786 -0.7632 -0.7632 -0.0563 -0.0563 0.8076 0.8076 6.7344 6.7344 7.6891 7.6891 8.0451 8.0451 8.2246 8.2246 k = 0.3816-0.3579 0.5355 ( 4507 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9392 -20.9392 -20.9376 -20.9376 -20.7807 -20.7807 -20.7718 -20.7718 -20.7304 -20.7304 -20.7175 -20.7175 -10.9221 -10.9221 -1.7845 -1.7845 -0.7718 -0.7718 -0.0357 -0.0357 0.8049 0.8049 6.7614 6.7614 7.6992 7.6992 8.0651 8.0651 8.1899 8.1899 k = 0.3881-0.3640 0.5241 ( 4505 PWs) bands (ev): -48.8778 -48.8778 -48.8764 -48.8764 -20.9391 -20.9391 -20.9377 -20.9377 -20.7808 -20.7808 -20.7717 -20.7717 -20.7301 -20.7301 -20.7175 -20.7175 -10.9229 -10.9229 -1.7897 -1.7897 -0.7793 -0.7793 -0.0173 -0.0173 0.8024 0.8024 6.7849 6.7849 7.7080 7.7080 8.0756 8.0756 8.1678 8.1678 k = 0.3946-0.3701 0.5126 ( 4499 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9390 -20.9390 -20.9378 -20.9378 -20.7809 -20.7809 -20.7716 -20.7716 -20.7300 -20.7300 -20.7175 -20.7175 -10.9236 -10.9236 -1.7941 -1.7941 -0.7857 -0.7857 -0.0014 -0.0014 0.8001 0.8001 6.8049 6.8049 7.7154 7.7154 8.0712 8.0712 8.1635 8.1635 k = 0.4010-0.3762 0.5012 ( 4491 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9390 -20.9390 -20.9378 -20.9378 -20.7809 -20.7809 -20.7715 -20.7715 -20.7298 -20.7298 -20.7175 -20.7175 -10.9241 -10.9241 -1.7977 -1.7977 -0.7909 -0.7909 0.0118 0.0118 0.7982 0.7982 6.8213 6.8213 7.7215 7.7215 8.0569 8.0569 8.1714 8.1714 k = 0.4075-0.3823 0.4897 ( 4499 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9390 -20.9390 -20.9379 -20.9379 -20.7810 -20.7810 -20.7715 -20.7715 -20.7297 -20.7297 -20.7175 -20.7175 -10.9246 -10.9246 -1.8005 -1.8005 -0.7950 -0.7950 0.0223 0.0223 0.7966 0.7966 6.8341 6.8341 7.7262 7.7262 8.0417 8.0417 8.1823 8.1823 k = 0.4140-0.3884 0.4783 ( 4497 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7810 -20.7810 -20.7714 -20.7714 -20.7296 -20.7296 -20.7175 -20.7175 -10.9249 -10.9249 -1.8025 -1.8025 -0.7979 -0.7979 0.0299 0.0299 0.7954 0.7954 6.8433 6.8433 7.7296 7.7296 8.0295 8.0295 8.1918 8.1918 k = 0.4205-0.3945 0.4668 ( 4496 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7810 -20.7810 -20.7714 -20.7714 -20.7295 -20.7295 -20.7175 -20.7175 -10.9251 -10.9251 -1.8038 -1.8038 -0.7997 -0.7997 0.0344 0.0344 0.7947 0.7947 6.8488 6.8488 7.7316 7.7316 8.0218 8.0218 8.1980 8.1980 k = 0.4270-0.4006 0.4554 ( 4498 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7811 -20.7811 -20.7714 -20.7714 -20.7295 -20.7295 -20.7175 -20.7175 -10.9252 -10.9252 -1.8042 -1.8042 -0.8003 -0.8003 0.0360 0.0360 0.7945 0.7945 6.8506 6.8506 7.7323 7.7323 8.0192 8.0192 8.2001 8.2001 k = 0.5730 0.4646 0.0778 ( 4498 PWs) bands (ev): -48.8778 -48.8778 -48.8765 -48.8765 -20.9389 -20.9389 -20.9379 -20.9379 -20.7811 -20.7811 -20.7714 -20.7714 -20.7295 -20.7295 -20.7175 -20.7175 -10.9252 -10.9252 -1.8042 -1.8042 -0.8003 -0.8003 0.0360 0.0360 0.7945 0.7945 6.8506 6.8506 7.7323 7.7323 8.0192 8.0192 8.2001 8.2001 k = 0.5649 0.4722 0.0692 ( 4502 PWs) bands (ev): -48.8777 -48.8777 -48.8766 -48.8766 -20.9390 -20.9390 -20.9381 -20.9381 -20.7816 -20.7816 -20.7713 -20.7713 -20.7290 -20.7290 -20.7175 -20.7175 -10.9243 -10.9243 -1.7918 -1.7918 -0.8111 -0.8111 0.0329 0.0329 0.7776 0.7776 6.8629 6.8629 7.8168 7.8168 8.0299 8.0299 8.2357 8.2357 k = 0.5568 0.4798 0.0605 ( 4496 PWs) bands (ev): -48.8777 -48.8777 -48.8766 -48.8766 -20.9392 -20.9392 -20.9381 -20.9381 -20.7820 -20.7820 -20.7712 -20.7712 -20.7286 -20.7286 -20.7175 -20.7175 -10.9235 -10.9235 -1.7805 -1.7805 -0.8206 -0.8206 0.0302 0.0302 0.7621 0.7621 6.8736 6.8736 7.9021 7.9021 8.0418 8.0418 8.2686 8.2686 k = 0.5486 0.4874 0.0519 ( 4492 PWs) bands (ev): -48.8776 -48.8776 -48.8766 -48.8766 -20.9394 -20.9394 -20.9381 -20.9381 -20.7823 -20.7823 -20.7711 -20.7711 -20.7282 -20.7282 -20.7175 -20.7175 -10.9229 -10.9229 -1.7702 -1.7702 -0.8290 -0.8290 0.0278 0.0278 0.7480 0.7480 6.8825 6.8825 7.9879 7.9879 8.0542 8.0542 8.2984 8.2984 k = 0.5405 0.4950 0.0432 ( 4492 PWs) bands (ev): -48.8776 -48.8776 -48.8767 -48.8767 -20.9396 -20.9396 -20.9381 -20.9381 -20.7826 -20.7826 -20.7710 -20.7710 -20.7279 -20.7279 -20.7175 -20.7175 -10.9223 -10.9223 -1.7613 -1.7613 -0.8361 -0.8361 0.0257 0.0257 0.7356 0.7356 6.8899 6.8899 8.0663 8.0663 8.0734 8.0734 8.3245 8.3245 k = 0.5324 0.5026 0.0346 ( 4484 PWs) bands (ev): -48.8776 -48.8776 -48.8767 -48.8767 -20.9398 -20.9398 -20.9380 -20.9380 -20.7828 -20.7828 -20.7709 -20.7709 -20.7275 -20.7275 -20.7175 -20.7175 -10.9219 -10.9219 -1.7537 -1.7537 -0.8420 -0.8420 0.0240 0.0240 0.7251 0.7251 6.8957 6.8957 8.0775 8.0775 8.1577 8.1577 8.3466 8.3466 k = 0.5243 0.5102 0.0259 ( 4482 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9399 -20.9399 -20.9380 -20.9380 -20.7830 -20.7830 -20.7709 -20.7709 -20.7273 -20.7273 -20.7175 -20.7175 -10.9215 -10.9215 -1.7477 -1.7477 -0.8465 -0.8465 0.0227 0.0227 0.7168 0.7168 6.9002 6.9002 8.0871 8.0871 8.2386 8.2386 8.3643 8.3643 k = 0.5162 0.5178 0.0173 ( 4478 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9400 -20.9400 -20.9380 -20.9380 -20.7832 -20.7832 -20.7708 -20.7708 -20.7271 -20.7271 -20.7175 -20.7175 -10.9213 -10.9213 -1.7433 -1.7433 -0.8498 -0.8498 0.0218 0.0218 0.7108 0.7108 6.9033 6.9033 8.0944 8.0944 8.3117 8.3117 8.3772 8.3772 k = 0.5081 0.5254 0.0086 ( 4466 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9400 -20.9400 -20.9379 -20.9379 -20.7832 -20.7832 -20.7708 -20.7708 -20.7270 -20.7270 -20.7174 -20.7174 -10.9211 -10.9211 -1.7407 -1.7407 -0.8517 -0.8517 0.0212 0.0212 0.7071 0.7071 6.9051 6.9051 8.0989 8.0989 8.3675 8.3675 8.3853 8.3853 k = 0.5000 0.5330 0.0000 ( 4464 PWs) bands (ev): -48.8775 -48.8775 -48.8767 -48.8767 -20.9401 -20.9401 -20.9379 -20.9379 -20.7832 -20.7832 -20.7708 -20.7708 -20.7269 -20.7269 -20.7174 -20.7174 -10.9210 -10.9210 -1.7398 -1.7398 -0.8524 -0.8524 0.0210 0.0210 0.7058 0.7058 6.9057 6.9057 8.1005 8.1005 8.3858 8.3858 8.3922 8.3922 Writing output data file NaC.save init_run : 0.12s CPU 0.50s WALL ( 1 calls) electrons : 89.66s CPU 91.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 89.65s CPU 91.88s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 412 calls) cegterg : 80.54s CPU 81.68s WALL ( 421 calls) Called by sum_band: Called by *egterg: h_psi : 56.42s CPU 57.43s WALL ( 6706 calls) s_psi : 0.87s CPU 0.83s WALL ( 6706 calls) g_psi : 0.15s CPU 0.16s WALL ( 5873 calls) cdiaghg : 23.02s CPU 23.43s WALL ( 6285 calls) cegterg:over : 2.76s CPU 2.65s WALL ( 5873 calls) cegterg:upda : 2.16s CPU 2.26s WALL ( 5873 calls) cegterg:last : 1.54s CPU 1.52s WALL ( 1205 calls) cdiaghg:chol : 1.14s CPU 1.28s WALL ( 6285 calls) cdiaghg:inve : 0.63s CPU 0.64s WALL ( 6285 calls) cdiaghg:para : 1.46s CPU 1.39s WALL ( 12570 calls) Called by h_psi: h_psi:vloc : 54.11s CPU 55.07s WALL ( 6706 calls) h_psi:vnl : 2.20s CPU 2.24s WALL ( 6706 calls) add_vuspsi : 0.92s CPU 0.95s WALL ( 6706 calls) General routines calbec : 1.27s CPU 1.27s WALL ( 6706 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.02s CPU 51.91s WALL ( 483208 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 824 calls) Parallel routines fft_scatter : 17.76s CPU 18.47s WALL ( 483231 calls) PWSCF : 1m43.75s CPU 2m11.61s WALL This run was terminated on: 17:11:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=