Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 3:38 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: ./WCl6.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 104 62 17 4083 1880 277 Max 105 63 18 4087 1912 282 Sum 3777 2259 633 147059 68211 10047 bravais-lattice index = 14 lattice parameter (alat) = 12.4303 a.u. unit-cell volume = 1204.3458 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.430344 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.571697 celldm(5)= 0.571697 celldm(6)= 0.571697 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.571697 0.820465 0.000000 ) a(3) = ( 0.571697 0.298440 0.764261 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.696797 -0.475943 ) b(2) = ( 0.000000 1.218822 -0.475943 ) b(3) = ( 0.000000 0.000000 1.308453 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) W 14.00 183.84000 W( 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= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0156250 -0.0108875 -0.0074366), wk = 0.0043290 k( 3) = ( 0.0312500 -0.0217749 -0.0148732), wk = 0.0043290 k( 4) = ( 0.0468750 -0.0326624 -0.0223098), wk = 0.0043290 k( 5) = ( 0.0625000 -0.0435498 -0.0297465), wk = 0.0043290 k( 6) = ( 0.0781250 -0.0544373 -0.0371831), wk = 0.0043290 k( 7) = ( 0.0937500 -0.0653247 -0.0446197), wk = 0.0043290 k( 8) = ( 0.1093750 -0.0762122 -0.0520563), wk = 0.0043290 k( 9) = ( 0.1250000 -0.0870997 -0.0594929), wk = 0.0043290 k( 10) = ( 0.1406250 -0.0979871 -0.0669295), wk = 0.0043290 k( 11) = ( 0.1562500 -0.1088746 -0.0743662), wk = 0.0043290 k( 12) = ( 0.1718750 -0.1197620 -0.0818028), wk = 0.0043290 k( 13) = ( 0.1875000 -0.1306495 -0.0892394), wk = 0.0043290 k( 14) = ( 0.2031250 -0.1415370 -0.0966760), wk = 0.0043290 k( 15) = ( 0.2187500 -0.1524244 -0.1041126), wk = 0.0043290 k( 16) = ( 0.2343750 -0.1633119 -0.1115492), wk = 0.0043290 k( 17) = ( 0.2500000 -0.1741993 -0.1189859), wk = 0.0043290 k( 18) = ( 0.2656250 -0.1850868 -0.1264225), wk = 0.0043290 k( 19) = ( 0.2812500 -0.1959742 -0.1338591), wk = 0.0043290 k( 20) = ( 0.2968750 -0.2068617 -0.1412957), wk = 0.0043290 k( 21) = ( 0.3125000 -0.2177492 -0.1487323), wk = 0.0043290 k( 22) = ( 0.3281250 -0.2286366 -0.1561689), wk = 0.0043290 k( 23) = ( 0.3437500 -0.2395241 -0.1636056), wk = 0.0043290 k( 24) = ( 0.3593750 -0.2504115 -0.1710422), wk = 0.0043290 k( 25) = ( 0.3750000 -0.2612990 -0.1784788), wk = 0.0043290 k( 26) = ( 0.3906250 -0.2721864 -0.1859154), wk = 0.0043290 k( 27) = ( 0.4062500 -0.2830739 -0.1933520), wk = 0.0043290 k( 28) = ( 0.4218750 -0.2939614 -0.2007886), wk = 0.0043290 k( 29) = ( 0.4375000 -0.3048488 -0.2082253), wk = 0.0043290 k( 30) = ( 0.4531250 -0.3157363 -0.2156619), wk = 0.0043290 k( 31) = ( 0.4687500 -0.3266237 -0.2230985), wk = 0.0043290 k( 32) = ( 0.4843750 -0.3375112 -0.2305351), wk = 0.0043290 k( 33) = ( 0.5000000 -0.3483987 -0.2379717), wk = 0.0043290 k( 34) = ( 0.5000000 -0.3483987 -0.2379717), wk = 0.0043290 k( 35) = ( 0.5000000 -0.3370258 -0.2546219), wk = 0.0043290 k( 36) = ( 0.5000000 -0.3256530 -0.2712721), wk = 0.0043290 k( 37) = ( 0.5000000 -0.3142802 -0.2879223), wk = 0.0043290 k( 38) = ( 0.5000000 -0.3029074 -0.3045725), wk = 0.0043290 k( 39) = ( 0.5000000 -0.2915346 -0.3212227), wk = 0.0043290 k( 40) = ( 0.5000000 -0.2801618 -0.3378728), wk = 0.0043290 k( 41) = ( 0.5000000 -0.2687889 -0.3545230), wk = 0.0043290 k( 42) = ( 0.5000000 -0.2574161 -0.3711732), wk = 0.0043290 k( 43) = ( 0.5000000 -0.2460433 -0.3878234), wk = 0.0043290 k( 44) = ( 0.5000000 -0.2346705 -0.4044736), wk = 0.0043290 k( 45) = ( 0.5000000 -0.2232977 -0.4211238), wk = 0.0043290 k( 46) = ( 0.5000000 -0.2119249 -0.4377740), wk = 0.0043290 k( 47) = ( 0.5000000 -0.2005520 -0.4544241), wk = 0.0043290 k( 48) = ( 0.5000000 -0.1891792 -0.4710743), wk = 0.0043290 k( 49) = ( 0.5000000 -0.1778064 -0.4877245), wk = 0.0043290 k( 50) = ( 0.5000000 -0.1664336 -0.5043747), wk = 0.0043290 k( 51) = ( 0.5000000 -0.1550608 -0.5210249), wk = 0.0043290 k( 52) = ( 0.5000000 -0.1436880 -0.5376751), wk = 0.0043290 k( 53) = ( 0.5000000 -0.1323152 -0.5543253), wk = 0.0043290 k( 54) = ( 0.5000000 -0.1209423 -0.5709755), wk = 0.0043290 k( 55) = ( 0.5000000 -0.1095695 -0.5876256), wk = 0.0043290 k( 56) = ( 0.5000000 -0.0981967 -0.6042758), wk = 0.0043290 k( 57) = ( 0.5000000 -0.0868239 -0.6209260), wk = 0.0043290 k( 58) = ( 0.5000000 -0.0754511 -0.6375762), wk = 0.0043290 k( 59) = ( 0.5000000 -0.0640783 -0.6542264), wk = 0.0043290 k( 60) = ( 0.7667252 0.0751588 -0.2976605), wk = 0.0043290 k( 61) = ( 0.7571993 0.0817964 -0.2806626), wk = 0.0043290 k( 62) = ( 0.7476734 0.0884341 -0.2636646), wk = 0.0043290 k( 63) = ( 0.7381475 0.0950717 -0.2466666), wk = 0.0043290 k( 64) = ( 0.7286216 0.1017093 -0.2296686), wk = 0.0043290 k( 65) = ( 0.7190957 0.1083469 -0.2126706), wk = 0.0043290 k( 66) = ( 0.7095698 0.1149845 -0.1956727), wk = 0.0043290 k( 67) = ( 0.7000439 0.1216222 -0.1786747), wk = 0.0043290 k( 68) = ( 0.6905180 0.1282598 -0.1616767), wk = 0.0043290 k( 69) = ( 0.6809921 0.1348974 -0.1446787), wk = 0.0043290 k( 70) = ( 0.6714662 0.1415350 -0.1276807), wk = 0.0043290 k( 71) = ( 0.6619403 0.1481727 -0.1106828), wk = 0.0043290 k( 72) = ( 0.6524144 0.1548103 -0.0936848), wk = 0.0043290 k( 73) = ( 0.6428885 0.1614479 -0.0766868), wk = 0.0043290 k( 74) = ( 0.6333626 0.1680855 -0.0596888), wk = 0.0043290 k( 75) = ( 0.6238367 0.1747231 -0.0426908), wk = 0.0043290 k( 76) = ( 0.6143108 0.1813608 -0.0256928), wk = 0.0043290 k( 77) = ( 0.6047849 0.1879984 -0.0086949), wk = 0.0043290 k( 78) = ( 0.5952590 0.1946360 0.0083031), wk = 0.0043290 k( 79) = ( 0.5857331 0.2012736 0.0253011), wk = 0.0043290 k( 80) = ( 0.5762072 0.2079113 0.0422991), wk = 0.0043290 k( 81) = ( 0.5666813 0.2145489 0.0592971), wk = 0.0043290 k( 82) = ( 0.5571554 0.2211865 0.0762950), wk = 0.0043290 k( 83) = ( 0.5476295 0.2278241 0.0932930), wk = 0.0043290 k( 84) = ( 0.5381036 0.2344617 0.1102910), wk = 0.0043290 k( 85) = ( 0.5285777 0.2410994 0.1272890), wk = 0.0043290 k( 86) = ( 0.5190518 0.2477370 0.1442870), wk = 0.0043290 k( 87) = ( 0.5095259 0.2543746 0.1612849), wk = 0.0043290 k( 88) = ( 0.5000000 0.2610122 0.1782829), wk = 0.0043290 k( 89) = ( 0.5000000 0.2610122 0.1782829), wk = 0.0043290 k( 90) = ( 0.4827586 0.2520118 0.1721352), wk = 0.0043290 k( 91) = ( 0.4655172 0.2430114 0.1659876), wk = 0.0043290 k( 92) = ( 0.4482759 0.2340110 0.1598399), wk = 0.0043290 k( 93) = ( 0.4310345 0.2250105 0.1536922), wk = 0.0043290 k( 94) = ( 0.4137931 0.2160101 0.1475445), wk = 0.0043290 k( 95) = ( 0.3965517 0.2070097 0.1413968), wk = 0.0043290 k( 96) = ( 0.3793103 0.1980093 0.1352491), wk = 0.0043290 k( 97) = ( 0.3620690 0.1890089 0.1291014), wk = 0.0043290 k( 98) = ( 0.3448276 0.1800084 0.1229537), wk = 0.0043290 k( 99) = ( 0.3275862 0.1710080 0.1168061), wk = 0.0043290 k( 100) = ( 0.3103448 0.1620076 0.1106584), wk = 0.0043290 k( 101) = ( 0.2931034 0.1530072 0.1045107), wk = 0.0043290 k( 102) = ( 0.2758621 0.1440067 0.0983630), wk = 0.0043290 k( 103) = ( 0.2586207 0.1350063 0.0922153), wk = 0.0043290 k( 104) = ( 0.2413793 0.1260059 0.0860676), wk = 0.0043290 k( 105) = ( 0.2241379 0.1170055 0.0799199), wk = 0.0043290 k( 106) = ( 0.2068966 0.1080051 0.0737722), wk = 0.0043290 k( 107) = ( 0.1896552 0.0990046 0.0676246), wk = 0.0043290 k( 108) = ( 0.1724138 0.0900042 0.0614769), wk = 0.0043290 k( 109) = ( 0.1551724 0.0810038 0.0553292), wk = 0.0043290 k( 110) = ( 0.1379310 0.0720034 0.0491815), wk = 0.0043290 k( 111) = ( 0.1206897 0.0630030 0.0430338), wk = 0.0043290 k( 112) = ( 0.1034483 0.0540025 0.0368861), wk = 0.0043290 k( 113) = ( 0.0862069 0.0450021 0.0307384), wk = 0.0043290 k( 114) = ( 0.0689655 0.0360017 0.0245907), wk = 0.0043290 k( 115) = ( 0.0517241 0.0270013 0.0184431), wk = 0.0043290 k( 116) = ( 0.0344828 0.0180008 0.0122954), wk = 0.0043290 k( 117) = ( 0.0172414 0.0090004 0.0061477), wk = 0.0043290 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 120) = ( 0.0096483 -0.0067229 -0.0172165), wk = 0.0043290 k( 121) = ( 0.0192967 -0.0134459 -0.0344330), wk = 0.0043290 k( 122) = ( 0.0289451 -0.0201688 -0.0516495), wk = 0.0043290 k( 123) = ( 0.0385934 -0.0268918 -0.0688659), wk = 0.0043290 k( 124) = ( 0.0482418 -0.0336147 -0.0860824), wk = 0.0043290 k( 125) = ( 0.0578901 -0.0403377 -0.1032989), wk = 0.0043290 k( 126) = ( 0.0675385 -0.0470606 -0.1205154), wk = 0.0043290 k( 127) = ( 0.0771868 -0.0537836 -0.1377319), wk = 0.0043290 k( 128) = ( 0.0868352 -0.0605065 -0.1549484), wk = 0.0043290 k( 129) = ( 0.0964835 -0.0672295 -0.1721648), wk = 0.0043290 k( 130) = ( 0.1061319 -0.0739524 -0.1893813), wk = 0.0043290 k( 131) = ( 0.1157802 -0.0806754 -0.2065978), wk = 0.0043290 k( 132) = ( 0.1254286 -0.0873983 -0.2238143), wk = 0.0043290 k( 133) = ( 0.1350769 -0.0941212 -0.2410308), wk = 0.0043290 k( 134) = ( 0.1447253 -0.1008442 -0.2582473), wk = 0.0043290 k( 135) = ( 0.1543736 -0.1075671 -0.2754637), wk = 0.0043290 k( 136) = ( 0.1640220 -0.1142901 -0.2926802), wk = 0.0043290 k( 137) = ( 0.1736704 -0.1210130 -0.3098967), wk = 0.0043290 k( 138) = ( 0.1833187 -0.1277360 -0.3271132), wk = 0.0043290 k( 139) = ( 0.1929671 -0.1344589 -0.3443297), wk = 0.0043290 k( 140) = ( 0.2026154 -0.1411819 -0.3615462), wk = 0.0043290 k( 141) = ( 0.2122638 -0.1479048 -0.3787627), wk = 0.0043290 k( 142) = ( 0.2219121 -0.1546278 -0.3959791), wk = 0.0043290 k( 143) = ( 0.2315605 -0.1613507 -0.4131956), wk = 0.0043290 k( 144) = ( 0.2412088 -0.1680736 -0.4304121), wk = 0.0043290 k( 145) = ( 0.2508572 -0.1747966 -0.4476286), wk = 0.0043290 k( 146) = ( 0.2605055 -0.1815195 -0.4648451), wk = 0.0043290 k( 147) = ( 0.2701539 -0.1882425 -0.4820615), wk = 0.0043290 k( 148) = ( 0.2798022 -0.1949654 -0.4992780), wk = 0.0043290 k( 149) = ( 0.2894506 -0.2016884 -0.5164945), wk = 0.0043290 k( 150) = ( 0.2990989 -0.2084113 -0.5337110), wk = 0.0043290 k( 151) = ( 0.3087473 -0.2151343 -0.5509275), wk = 0.0043290 k( 152) = ( 0.3183956 -0.2218572 -0.5681440), wk = 0.0043290 k( 153) = ( 0.3280440 -0.2285802 -0.5853605), wk = 0.0043290 k( 154) = ( 0.3376923 -0.2353031 -0.6025769), wk = 0.0043290 k( 155) = ( 0.3473407 -0.2420261 -0.6197934), wk = 0.0043290 k( 156) = ( 0.3569890 -0.2487490 -0.6370099), wk = 0.0043290 k( 157) = ( 0.3666374 -0.2554720 -0.6542264), wk = 0.0043290 k( 158) = ( 0.6333626 0.0055403 -0.4759435), wk = 0.0043290 k( 159) = ( 0.6238367 0.0237883 -0.4759435), wk = 0.0043290 k( 160) = ( 0.6143108 0.0420363 -0.4759435), wk = 0.0043290 k( 161) = ( 0.6047849 0.0602843 -0.4759435), wk = 0.0043290 k( 162) = ( 0.5952590 0.0785323 -0.4759435), wk = 0.0043290 k( 163) = ( 0.5857331 0.0967803 -0.4759435), wk = 0.0043290 k( 164) = ( 0.5762072 0.1150283 -0.4759435), wk = 0.0043290 k( 165) = ( 0.5666813 0.1332763 -0.4759435), wk = 0.0043290 k( 166) = ( 0.5571554 0.1515243 -0.4759435), wk = 0.0043290 k( 167) = ( 0.5476295 0.1697723 -0.4759435), wk = 0.0043290 k( 168) = ( 0.5381036 0.1880202 -0.4759435), wk = 0.0043290 k( 169) = ( 0.5285777 0.2062682 -0.4759435), wk = 0.0043290 k( 170) = ( 0.5190518 0.2245162 -0.4759435), wk = 0.0043290 k( 171) = ( 0.5095259 0.2427642 -0.4759435), wk = 0.0043290 k( 172) = ( 0.5000000 0.2610122 -0.4759435), wk = 0.0043290 k( 173) = ( 0.5000000 0.2610122 -0.4759435), wk = 0.0043290 k( 174) = ( 0.5111136 0.2668138 -0.4610865), wk = 0.0043290 k( 175) = ( 0.5222271 0.2726153 -0.4462296), wk = 0.0043290 k( 176) = ( 0.5333406 0.2784169 -0.4313727), wk = 0.0043290 k( 177) = ( 0.5444542 0.2842184 -0.4165158), wk = 0.0043290 k( 178) = ( 0.5555678 0.2900200 -0.4016589), wk = 0.0043290 k( 179) = ( 0.5666813 0.2958215 -0.3868020), wk = 0.0043290 k( 180) = ( 0.5777948 0.3016230 -0.3719451), wk = 0.0043290 k( 181) = ( 0.5889084 0.3074246 -0.3570882), wk = 0.0043290 k( 182) = ( 0.6000220 0.3132261 -0.3422313), wk = 0.0043290 k( 183) = ( 0.6111355 0.3190277 -0.3273743), wk = 0.0043290 k( 184) = ( 0.6222490 0.3248292 -0.3125174), wk = 0.0043290 k( 185) = ( 0.6333626 0.3306308 -0.2976605), wk = 0.0043290 k( 186) = ( 0.6333626 0.3306308 -0.2976605), wk = 0.0043290 k( 187) = ( 0.6278058 0.3277300 -0.2778296), wk = 0.0043290 k( 188) = ( 0.6222490 0.3248292 -0.2579986), wk = 0.0043290 k( 189) = ( 0.6166923 0.3219285 -0.2381676), wk = 0.0043290 k( 190) = ( 0.6111355 0.3190277 -0.2183366), wk = 0.0043290 k( 191) = ( 0.6055787 0.3161269 -0.1985056), wk = 0.0043290 k( 192) = ( 0.6000220 0.3132261 -0.1786747), wk = 0.0043290 k( 193) = ( 0.5944652 0.3103254 -0.1588437), wk = 0.0043290 k( 194) = ( 0.5889084 0.3074246 -0.1390127), wk = 0.0043290 k( 195) = ( 0.5833516 0.3045238 -0.1191817), wk = 0.0043290 k( 196) = ( 0.5777948 0.3016230 -0.0993508), wk = 0.0043290 k( 197) = ( 0.5722381 0.2987223 -0.0795198), wk = 0.0043290 k( 198) = ( 0.5666813 0.2958215 -0.0596888), wk = 0.0043290 k( 199) = ( 0.5611245 0.2929207 -0.0398578), wk = 0.0043290 k( 200) = ( 0.5555678 0.2900200 -0.0200268), wk = 0.0043290 k( 201) = ( 0.5500110 0.2871192 -0.0001959), wk = 0.0043290 k( 202) = ( 0.5444542 0.2842184 0.0196351), wk = 0.0043290 k( 203) = ( 0.5388974 0.2813176 0.0394661), wk = 0.0043290 k( 204) = ( 0.5333406 0.2784169 0.0592971), wk = 0.0043290 k( 205) = ( 0.5277839 0.2755161 0.0791280), wk = 0.0043290 k( 206) = ( 0.5222271 0.2726153 0.0989590), wk = 0.0043290 k( 207) = ( 0.5166703 0.2697145 0.1187900), wk = 0.0043290 k( 208) = ( 0.5111136 0.2668138 0.1386210), wk = 0.0043290 k( 209) = ( 0.5055568 0.2639130 0.1584519), wk = 0.0043290 k( 210) = ( 0.5000000 0.2610122 0.1782829), wk = 0.0043290 k( 211) = ( 0.5000000 -0.3483987 -0.2379717), wk = 0.0043290 k( 212) = ( 0.5133363 -0.3353480 -0.2290576), wk = 0.0043290 k( 213) = ( 0.5266725 -0.3222974 -0.2201434), wk = 0.0043290 k( 214) = ( 0.5400088 -0.3092468 -0.2112293), wk = 0.0043290 k( 215) = ( 0.5533450 -0.2961962 -0.2023151), wk = 0.0043290 k( 216) = ( 0.5666813 -0.2831456 -0.1934010), wk = 0.0043290 k( 217) = ( 0.5800176 -0.2700950 -0.1844868), wk = 0.0043290 k( 218) = ( 0.5933538 -0.2570444 -0.1755727), wk = 0.0043290 k( 219) = ( 0.6066901 -0.2439938 -0.1666586), wk = 0.0043290 k( 220) = ( 0.6200263 -0.2309431 -0.1577444), wk = 0.0043290 k( 221) = ( 0.6333626 -0.2178925 -0.1488303), wk = 0.0043290 k( 222) = ( 0.6466989 -0.2048419 -0.1399161), wk = 0.0043290 k( 223) = ( 0.6600351 -0.1917913 -0.1310020), wk = 0.0043290 k( 224) = ( 0.6733714 -0.1787407 -0.1220878), wk = 0.0043290 k( 225) = ( 0.6867077 -0.1656901 -0.1131737), wk = 0.0043290 k( 226) = ( 0.7000439 -0.1526395 -0.1042595), wk = 0.0043290 k( 227) = ( 0.7133802 -0.1395889 -0.0953454), wk = 0.0043290 k( 228) = ( 0.7267164 -0.1265383 -0.0864312), wk = 0.0043290 k( 229) = ( 0.7400527 -0.1134876 -0.0775171), wk = 0.0043290 k( 230) = ( 0.7533889 -0.1004370 -0.0686029), wk = 0.0043290 k( 231) = ( 0.7667252 -0.0873864 -0.0596888), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0156250 -0.0000000 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0312500 -0.0000000 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0468750 -0.0000000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0937500 -0.0000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0043290 k( 9) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0043290 k( 10) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0043290 k( 12) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0043290 k( 13) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0043290 k( 15) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0043290 k( 16) = ( 0.2343750 -0.0000000 0.0000000), wk = 0.0043290 k( 17) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0043290 k( 18) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0043290 k( 19) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0043290 k( 21) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0043290 k( 22) = ( 0.3281250 -0.0000000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0043290 k( 24) = ( 0.3593750 -0.0000000 0.0000000), wk = 0.0043290 k( 25) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0043290 k( 27) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0043290 k( 28) = ( 0.4218750 -0.0000000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0043290 k( 30) = ( 0.4531250 -0.0000000 0.0000000), wk = 0.0043290 k( 31) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.5000000 0.0093310 -0.0093310), wk = 0.0043290 k( 36) = ( 0.5000000 0.0186620 -0.0186620), wk = 0.0043290 k( 37) = ( 0.5000000 0.0279930 -0.0279930), wk = 0.0043290 k( 38) = ( 0.5000000 0.0373240 -0.0373240), wk = 0.0043290 k( 39) = ( 0.5000000 0.0466550 -0.0466550), wk = 0.0043290 k( 40) = ( 0.5000000 0.0559859 -0.0559860), wk = 0.0043290 k( 41) = ( 0.5000000 0.0653169 -0.0653169), wk = 0.0043290 k( 42) = ( 0.5000000 0.0746479 -0.0746479), wk = 0.0043290 k( 43) = ( 0.5000000 0.0839789 -0.0839789), wk = 0.0043290 k( 44) = ( 0.5000000 0.0933099 -0.0933099), wk = 0.0043290 k( 45) = ( 0.5000000 0.1026409 -0.1026409), wk = 0.0043290 k( 46) = ( 0.5000000 0.1119719 -0.1119719), wk = 0.0043290 k( 47) = ( 0.5000000 0.1213029 -0.1213029), wk = 0.0043290 k( 48) = ( 0.5000000 0.1306339 -0.1306339), wk = 0.0043290 k( 49) = ( 0.5000000 0.1399649 -0.1399649), wk = 0.0043290 k( 50) = ( 0.5000000 0.1492959 -0.1492959), wk = 0.0043290 k( 51) = ( 0.5000000 0.1586269 -0.1586269), wk = 0.0043290 k( 52) = ( 0.5000000 0.1679578 -0.1679578), wk = 0.0043290 k( 53) = ( 0.5000000 0.1772888 -0.1772888), wk = 0.0043290 k( 54) = ( 0.5000000 0.1866198 -0.1866198), wk = 0.0043290 k( 55) = ( 0.5000000 0.1959508 -0.1959508), wk = 0.0043290 k( 56) = ( 0.5000000 0.2052818 -0.2052818), wk = 0.0043290 k( 57) = ( 0.5000000 0.2146128 -0.2146128), wk = 0.0043290 k( 58) = ( 0.5000000 0.2239438 -0.2239438), wk = 0.0043290 k( 59) = ( 0.5000000 0.2332748 -0.2332748), wk = 0.0043290 k( 60) = ( 0.7667252 0.5000000 0.2332748), wk = 0.0043290 k( 61) = ( 0.7571993 0.5000000 0.2428007), wk = 0.0043290 k( 62) = ( 0.7476734 0.5000000 0.2523266), wk = 0.0043290 k( 63) = ( 0.7381475 0.5000000 0.2618525), wk = 0.0043290 k( 64) = ( 0.7286216 0.5000000 0.2713784), wk = 0.0043290 k( 65) = ( 0.7190957 0.5000000 0.2809043), wk = 0.0043290 k( 66) = ( 0.7095698 0.5000000 0.2904302), wk = 0.0043290 k( 67) = ( 0.7000439 0.5000000 0.2999561), wk = 0.0043290 k( 68) = ( 0.6905180 0.5000000 0.3094820), wk = 0.0043290 k( 69) = ( 0.6809921 0.5000000 0.3190079), wk = 0.0043290 k( 70) = ( 0.6714662 0.5000000 0.3285338), wk = 0.0043290 k( 71) = ( 0.6619403 0.5000000 0.3380597), wk = 0.0043290 k( 72) = ( 0.6524144 0.5000000 0.3475856), wk = 0.0043290 k( 73) = ( 0.6428885 0.5000000 0.3571115), wk = 0.0043290 k( 74) = ( 0.6333626 0.5000000 0.3666374), wk = 0.0043290 k( 75) = ( 0.6238367 0.5000000 0.3761633), wk = 0.0043290 k( 76) = ( 0.6143108 0.5000000 0.3856892), wk = 0.0043290 k( 77) = ( 0.6047849 0.5000000 0.3952151), wk = 0.0043290 k( 78) = ( 0.5952590 0.5000000 0.4047410), wk = 0.0043290 k( 79) = ( 0.5857331 0.5000000 0.4142669), wk = 0.0043290 k( 80) = ( 0.5762072 0.5000000 0.4237928), wk = 0.0043290 k( 81) = ( 0.5666813 0.5000000 0.4333187), wk = 0.0043290 k( 82) = ( 0.5571554 0.5000000 0.4428446), wk = 0.0043290 k( 83) = ( 0.5476295 0.5000000 0.4523705), wk = 0.0043290 k( 84) = ( 0.5381036 0.5000000 0.4618964), wk = 0.0043290 k( 85) = ( 0.5285777 0.5000000 0.4714223), wk = 0.0043290 k( 86) = ( 0.5190518 0.5000000 0.4809482), wk = 0.0043290 k( 87) = ( 0.5095259 0.5000000 0.4904741), wk = 0.0043290 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 90) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0043290 k( 91) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0043290 k( 92) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0043290 k( 93) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0043290 k( 94) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0043290 k( 95) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0043290 k( 96) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0043290 k( 97) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0043290 k( 98) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0043290 k( 99) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0043290 k( 100) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0043290 k( 101) = ( 0.2931034 0.2931034 0.2931035), wk = 0.0043290 k( 102) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0043290 k( 103) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0043290 k( 104) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0043290 k( 105) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0043290 k( 106) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0043290 k( 107) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0043290 k( 108) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0043290 k( 109) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0043290 k( 110) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0043290 k( 111) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0043290 k( 112) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0043290 k( 113) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0043290 k( 114) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0043290 k( 115) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0043290 k( 116) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0043290 k( 117) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0043290 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 120) = ( 0.0096483 -0.0000000 -0.0096483), wk = 0.0043290 k( 121) = ( 0.0192967 -0.0000000 -0.0192967), wk = 0.0043290 k( 122) = ( 0.0289451 -0.0000000 -0.0289451), wk = 0.0043290 k( 123) = ( 0.0385934 -0.0000000 -0.0385934), wk = 0.0043290 k( 124) = ( 0.0482418 -0.0000000 -0.0482418), wk = 0.0043290 k( 125) = ( 0.0578901 -0.0000000 -0.0578901), wk = 0.0043290 k( 126) = ( 0.0675385 -0.0000000 -0.0675385), wk = 0.0043290 k( 127) = ( 0.0771868 -0.0000000 -0.0771868), wk = 0.0043290 k( 128) = ( 0.0868352 -0.0000000 -0.0868352), wk = 0.0043290 k( 129) = ( 0.0964835 -0.0000000 -0.0964835), wk = 0.0043290 k( 130) = ( 0.1061319 -0.0000000 -0.1061319), wk = 0.0043290 k( 131) = ( 0.1157802 -0.0000000 -0.1157802), wk = 0.0043290 k( 132) = ( 0.1254286 -0.0000000 -0.1254286), wk = 0.0043290 k( 133) = ( 0.1350769 -0.0000000 -0.1350769), wk = 0.0043290 k( 134) = ( 0.1447253 -0.0000000 -0.1447253), wk = 0.0043290 k( 135) = ( 0.1543736 -0.0000000 -0.1543736), wk = 0.0043290 k( 136) = ( 0.1640220 -0.0000000 -0.1640220), wk = 0.0043290 k( 137) = ( 0.1736704 -0.0000000 -0.1736704), wk = 0.0043290 k( 138) = ( 0.1833187 -0.0000000 -0.1833187), wk = 0.0043290 k( 139) = ( 0.1929671 -0.0000000 -0.1929671), wk = 0.0043290 k( 140) = ( 0.2026154 -0.0000000 -0.2026154), wk = 0.0043290 k( 141) = ( 0.2122638 -0.0000000 -0.2122638), wk = 0.0043290 k( 142) = ( 0.2219121 -0.0000000 -0.2219121), wk = 0.0043290 k( 143) = ( 0.2315605 -0.0000000 -0.2315605), wk = 0.0043290 k( 144) = ( 0.2412088 -0.0000000 -0.2412088), wk = 0.0043290 k( 145) = ( 0.2508572 -0.0000000 -0.2508572), wk = 0.0043290 k( 146) = ( 0.2605055 -0.0000000 -0.2605055), wk = 0.0043290 k( 147) = ( 0.2701539 -0.0000000 -0.2701539), wk = 0.0043290 k( 148) = ( 0.2798022 -0.0000000 -0.2798022), wk = 0.0043290 k( 149) = ( 0.2894506 -0.0000000 -0.2894506), wk = 0.0043290 k( 150) = ( 0.2990989 -0.0000000 -0.2990989), wk = 0.0043290 k( 151) = ( 0.3087473 -0.0000000 -0.3087473), wk = 0.0043290 k( 152) = ( 0.3183956 -0.0000000 -0.3183956), wk = 0.0043290 k( 153) = ( 0.3280440 -0.0000000 -0.3280440), wk = 0.0043290 k( 154) = ( 0.3376923 -0.0000000 -0.3376923), wk = 0.0043290 k( 155) = ( 0.3473407 -0.0000000 -0.3473407), wk = 0.0043290 k( 156) = ( 0.3569890 -0.0000000 -0.3569890), wk = 0.0043290 k( 157) = ( 0.3666374 -0.0000000 -0.3666374), wk = 0.0043290 k( 158) = ( 0.6333626 0.3666374 -0.0000000), wk = 0.0043290 k( 159) = ( 0.6238367 0.3761633 -0.0000000), wk = 0.0043290 k( 160) = ( 0.6143108 0.3856892 -0.0000000), wk = 0.0043290 k( 161) = ( 0.6047849 0.3952151 -0.0000000), wk = 0.0043290 k( 162) = ( 0.5952590 0.4047410 -0.0000000), wk = 0.0043290 k( 163) = ( 0.5857331 0.4142669 -0.0000000), wk = 0.0043290 k( 164) = ( 0.5762072 0.4237928 -0.0000000), wk = 0.0043290 k( 165) = ( 0.5666813 0.4333187 -0.0000000), wk = 0.0043290 k( 166) = ( 0.5571554 0.4428446 -0.0000000), wk = 0.0043290 k( 167) = ( 0.5476295 0.4523705 -0.0000000), wk = 0.0043290 k( 168) = ( 0.5381036 0.4618964 -0.0000000), wk = 0.0043290 k( 169) = ( 0.5285777 0.4714223 -0.0000000), wk = 0.0043290 k( 170) = ( 0.5190518 0.4809482 -0.0000000), wk = 0.0043290 k( 171) = ( 0.5095259 0.4904741 -0.0000000), wk = 0.0043290 k( 172) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 173) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 174) = ( 0.5111136 0.5111136 0.0194396), wk = 0.0043290 k( 175) = ( 0.5222271 0.5222271 0.0388791), wk = 0.0043290 k( 176) = ( 0.5333406 0.5333406 0.0583187), wk = 0.0043290 k( 177) = ( 0.5444542 0.5444542 0.0777583), wk = 0.0043290 k( 178) = ( 0.5555678 0.5555678 0.0971978), wk = 0.0043290 k( 179) = ( 0.5666813 0.5666813 0.1166374), wk = 0.0043290 k( 180) = ( 0.5777948 0.5777948 0.1360770), wk = 0.0043290 k( 181) = ( 0.5889084 0.5889084 0.1555165), wk = 0.0043290 k( 182) = ( 0.6000220 0.6000220 0.1749561), wk = 0.0043290 k( 183) = ( 0.6111355 0.6111355 0.1943957), wk = 0.0043290 k( 184) = ( 0.6222490 0.6222490 0.2138352), wk = 0.0043290 k( 185) = ( 0.6333626 0.6333626 0.2332748), wk = 0.0043290 k( 186) = ( 0.6333626 0.6333626 0.2332748), wk = 0.0043290 k( 187) = ( 0.6278058 0.6278058 0.2443883), wk = 0.0043290 k( 188) = ( 0.6222490 0.6222490 0.2555019), wk = 0.0043290 k( 189) = ( 0.6166923 0.6166923 0.2666154), wk = 0.0043290 k( 190) = ( 0.6111355 0.6111355 0.2777290), wk = 0.0043290 k( 191) = ( 0.6055787 0.6055787 0.2888425), wk = 0.0043290 k( 192) = ( 0.6000220 0.6000220 0.2999561), wk = 0.0043290 k( 193) = ( 0.5944652 0.5944652 0.3110696), wk = 0.0043290 k( 194) = ( 0.5889084 0.5889084 0.3221832), wk = 0.0043290 k( 195) = ( 0.5833516 0.5833516 0.3332967), wk = 0.0043290 k( 196) = ( 0.5777948 0.5777948 0.3444103), wk = 0.0043290 k( 197) = ( 0.5722381 0.5722381 0.3555238), wk = 0.0043290 k( 198) = ( 0.5666813 0.5666813 0.3666374), wk = 0.0043290 k( 199) = ( 0.5611245 0.5611245 0.3777510), wk = 0.0043290 k( 200) = ( 0.5555678 0.5555678 0.3888645), wk = 0.0043290 k( 201) = ( 0.5500110 0.5500110 0.3999780), wk = 0.0043290 k( 202) = ( 0.5444542 0.5444542 0.4110916), wk = 0.0043290 k( 203) = ( 0.5388974 0.5388974 0.4222052), wk = 0.0043290 k( 204) = ( 0.5333406 0.5333406 0.4333187), wk = 0.0043290 k( 205) = ( 0.5277839 0.5277839 0.4444323), wk = 0.0043290 k( 206) = ( 0.5222271 0.5222271 0.4555458), wk = 0.0043290 k( 207) = ( 0.5166703 0.5166703 0.4666593), wk = 0.0043290 k( 208) = ( 0.5111136 0.5111136 0.4777729), wk = 0.0043290 k( 209) = ( 0.5055568 0.5055568 0.4888865), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 211) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043290 k( 212) = ( 0.5133363 0.0183319 0.0183319), wk = 0.0043290 k( 213) = ( 0.5266725 0.0366637 0.0366637), wk = 0.0043290 k( 214) = ( 0.5400088 0.0549956 0.0549956), wk = 0.0043290 k( 215) = ( 0.5533450 0.0733275 0.0733275), wk = 0.0043290 k( 216) = ( 0.5666813 0.0916593 0.0916594), wk = 0.0043290 k( 217) = ( 0.5800176 0.1099912 0.1099912), wk = 0.0043290 k( 218) = ( 0.5933538 0.1283231 0.1283231), wk = 0.0043290 k( 219) = ( 0.6066901 0.1466550 0.1466550), wk = 0.0043290 k( 220) = ( 0.6200263 0.1649868 0.1649868), wk = 0.0043290 k( 221) = ( 0.6333626 0.1833187 0.1833187), wk = 0.0043290 k( 222) = ( 0.6466989 0.2016506 0.2016506), wk = 0.0043290 k( 223) = ( 0.6600351 0.2199824 0.2199824), wk = 0.0043290 k( 224) = ( 0.6733714 0.2383143 0.2383143), wk = 0.0043290 k( 225) = ( 0.6867077 0.2566462 0.2566462), wk = 0.0043290 k( 226) = ( 0.7000439 0.2749780 0.2749781), wk = 0.0043290 k( 227) = ( 0.7133802 0.2933099 0.2933099), wk = 0.0043290 k( 228) = ( 0.7267164 0.3116418 0.3116418), wk = 0.0043290 k( 229) = ( 0.7400527 0.3299737 0.3299737), wk = 0.0043290 k( 230) = ( 0.7533889 0.3483055 0.3483055), wk = 0.0043290 k( 231) = ( 0.7667252 0.3666374 0.3666374), wk = 0.0043290 Dense grid: 147059 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 68211 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 490, 68) NL pseudopotentials 0.89 Mb ( 245, 238) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.03 Mb ( 4086) G-vector shells 0.03 Mb ( 3370) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.03 Mb ( 490, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.49 Mb ( 238, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./WCl6.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 19.0 secs Computing kpt #: 18 total cpu time spent up to now is 20.0 secs Computing kpt #: 19 total cpu time spent up to now is 21.0 secs Computing kpt #: 20 total cpu time spent up to now is 22.1 secs Computing kpt #: 21 total cpu time spent up to now is 23.3 secs Computing kpt #: 22 total cpu time spent up to now is 24.6 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.3 secs Computing kpt #: 25 total cpu time spent up to now is 28.6 secs Computing kpt #: 26 total cpu time spent up to now is 30.0 secs Computing kpt #: 27 total cpu time spent up to now is 31.3 secs Computing kpt #: 28 total cpu time spent up to now is 32.6 secs Computing kpt #: 29 total cpu time spent up to now is 33.9 secs Computing kpt #: 30 total cpu time spent up to now is 35.2 secs Computing kpt #: 31 total cpu time spent up to now is 36.5 secs Computing kpt #: 32 total cpu time spent up to now is 37.8 secs Computing kpt #: 33 total cpu time spent up to now is 39.1 secs Computing kpt #: 34 total cpu time spent up to now is 40.3 secs Computing kpt #: 35 total cpu time spent up to now is 41.6 secs Computing kpt #: 36 total cpu time spent up to now is 42.9 secs Computing kpt #: 37 total cpu time spent up to now is 44.2 secs Computing kpt #: 38 total cpu time spent up to now is 45.5 secs Computing kpt #: 39 total cpu time spent up to now is 46.9 secs Computing kpt #: 40 total cpu time spent up to now is 48.2 secs Computing kpt #: 41 total cpu time spent up to now is 49.5 secs Computing kpt #: 42 total cpu time spent up to now is 50.8 secs Computing kpt #: 43 total cpu time spent up to now is 52.2 secs Computing kpt #: 44 total cpu time spent up to now is 53.5 secs Computing kpt #: 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79.0 secs Computing kpt #: 61 total cpu time spent up to now is 80.3 secs Computing kpt #: 62 total cpu time spent up to now is 81.6 secs Computing kpt #: 63 total cpu time spent up to now is 82.8 secs Computing kpt #: 64 total cpu time spent up to now is 84.1 secs Computing kpt #: 65 total cpu time spent up to now is 85.3 secs Computing kpt #: 66 total cpu time spent up to now is 86.6 secs Computing kpt #: 67 total cpu time spent up to now is 87.8 secs Computing kpt #: 68 total cpu time spent up to now is 89.1 secs Computing kpt #: 69 total cpu time spent up to now is 90.3 secs Computing kpt #: 70 total cpu time spent up to now is 91.5 secs Computing kpt #: 71 total cpu time spent up to now is 92.8 secs Computing kpt #: 72 total cpu time spent up to now is 94.0 secs Computing kpt #: 73 total cpu time spent up to now is 95.2 secs Computing kpt #: 74 total cpu time spent up to now is 96.5 secs Computing kpt #: 75 total cpu time spent up to now is 97.7 secs Computing kpt #: 76 total cpu time spent up to now is 99.0 secs Computing kpt #: 77 total cpu time spent up to now is 100.3 secs Computing kpt #: 78 total cpu time spent up to now is 101.6 secs Computing kpt #: 79 total cpu time spent up to now is 103.0 secs Computing kpt #: 80 total cpu time spent up to now is 104.3 secs Computing kpt #: 81 total cpu time spent up to now is 105.7 secs Computing kpt #: 82 total cpu time spent up to now is 107.1 secs Computing kpt #: 83 total cpu time spent up to now is 108.5 secs Computing kpt #: 84 total cpu time spent up to now is 109.9 secs Computing kpt #: 85 total cpu time spent up to now is 111.2 secs Computing kpt #: 86 total cpu time spent up to now is 112.6 secs Computing kpt #: 87 total cpu time spent up to now is 114.0 secs Computing kpt #: 88 total cpu time spent up to now is 115.4 secs Computing kpt #: 89 total cpu time spent up to now is 116.8 secs Computing kpt #: 90 total cpu time spent up to now is 118.4 secs Computing kpt #: 91 total cpu time spent up to now is 120.0 secs Computing kpt #: 92 total cpu time spent up to now is 121.6 secs Computing kpt #: 93 total cpu time spent up to now is 123.1 secs Computing kpt #: 94 total cpu time spent up to now is 124.5 secs Computing kpt #: 95 total cpu time spent up to now is 125.9 secs Computing kpt #: 96 total cpu time spent up to now is 127.1 secs Computing kpt #: 97 total cpu time spent up to now is 128.3 secs Computing kpt #: 98 total cpu time spent up to now is 129.5 secs Computing kpt #: 99 total cpu time spent up to now is 130.7 secs Computing kpt #: 100 total cpu time spent up to now is 131.9 secs Computing kpt #: 101 total cpu time spent up to now is 132.9 secs Computing kpt #: 102 total cpu time spent up to now is 134.0 secs Computing kpt #: 103 total cpu time spent up to now is 135.0 secs Computing kpt #: 104 total cpu time spent up to now is 135.9 secs Computing kpt #: 105 total cpu time spent up to now is 136.9 secs Computing kpt #: 106 total cpu time spent up to now is 137.9 secs Computing kpt #: 107 total cpu time spent up to now is 138.9 secs Computing kpt #: 108 total cpu time spent up to now is 139.8 secs Computing kpt #: 109 total cpu time spent up to now is 140.8 secs Computing kpt #: 110 total cpu time spent up to now is 141.8 secs Computing kpt #: 111 total cpu time spent up to now is 142.7 secs Computing kpt #: 112 total cpu time spent up to now is 143.7 secs Computing kpt #: 113 total cpu time spent up to now is 144.7 secs Computing kpt #: 114 total cpu time spent up to now is 145.6 secs Computing kpt #: 115 total cpu time spent up to now is 146.6 secs Computing kpt #: 116 total cpu time spent up to now is 147.5 secs Computing kpt #: 117 total cpu time spent up to now is 148.4 secs Computing kpt #: 118 total cpu time spent up to now is 149.3 secs Computing kpt #: 119 total cpu time spent up to now is 150.3 secs Computing kpt #: 120 total cpu time spent up to now is 151.2 secs Computing kpt #: 121 total cpu time spent up to now is 152.1 secs Computing kpt #: 122 total cpu time spent up to now is 153.1 secs Computing kpt #: 123 total cpu time spent up to now is 154.0 secs Computing kpt #: 124 total cpu time spent up to now is 154.9 secs Computing kpt #: 125 total cpu time spent up to now is 155.9 secs Computing kpt #: 126 total cpu time spent up to now is 156.8 secs Computing kpt #: 127 total cpu time spent up to now is 157.8 secs Computing kpt #: 128 total cpu time spent up to now is 158.8 secs Computing kpt #: 129 total cpu time spent up to now is 159.7 secs Computing kpt #: 130 total cpu time spent up to now is 160.7 secs Computing kpt #: 131 total cpu time spent up to now is 161.6 secs Computing kpt #: 132 total cpu time spent up to now is 162.6 secs Computing kpt #: 133 total cpu time spent up to now is 163.6 secs Computing kpt #: 134 total cpu time spent up to now is 164.6 secs Computing kpt #: 135 total cpu time spent up to now is 165.6 secs Computing kpt #: 136 total cpu time spent up to now is 166.7 secs Computing kpt #: 137 total cpu time spent up to now is 167.7 secs Computing kpt #: 138 total cpu time spent up to now is 168.9 secs Computing kpt #: 139 total cpu time spent up to now is 170.1 secs Computing kpt #: 140 total cpu time spent up to now is 171.4 secs Computing kpt #: 141 total cpu time spent up to now is 172.9 secs Computing kpt #: 142 total cpu time spent up to now is 174.5 secs Computing kpt #: 143 total cpu time spent up to now is 176.1 secs Computing kpt #: 144 total cpu time spent up to now is 177.8 secs Computing kpt #: 145 total cpu time spent up to now is 179.4 secs Computing kpt #: 146 total cpu time spent up to now is 181.4 secs Computing kpt #: 147 total cpu time spent up to now is 183.4 secs Computing kpt #: 148 total cpu time spent up to now is 185.5 secs Computing kpt #: 149 total cpu time spent up to now is 187.6 secs Computing kpt #: 150 total cpu time spent up to now is 190.5 secs Computing kpt #: 151 total cpu time spent up to now is 193.0 secs Computing kpt #: 152 total cpu time spent up to now is 195.4 secs Computing kpt #: 153 total cpu time spent up to now is 197.5 secs Computing kpt #: 154 total cpu time spent up to now is 199.6 secs Computing kpt #: 155 total cpu time spent up to now is 201.6 secs Computing kpt #: 156 total cpu time spent up to now is 203.7 secs Computing kpt #: 157 total cpu time spent up to now is 205.7 secs Computing kpt #: 158 total cpu time spent up to now is 207.8 secs Computing kpt #: 159 total cpu time spent up to now is 209.9 secs Computing kpt #: 160 total cpu time spent up to now is 212.3 secs Computing kpt #: 161 total cpu time spent up to now is 214.8 secs Computing kpt #: 162 total cpu time spent up to now is 217.1 secs Computing kpt #: 163 total cpu time spent up to now is 219.9 secs Computing kpt #: 164 total cpu time spent up to now is 222.2 secs Computing kpt #: 165 total cpu time spent up to now is 224.2 secs Computing kpt #: 166 total cpu time spent up to now is 225.9 secs Computing kpt #: 167 total cpu time spent up to now is 227.6 secs Computing kpt #: 168 total cpu time spent up to now is 229.2 secs Computing kpt #: 169 total cpu time spent up to now is 230.8 secs Computing kpt #: 170 total cpu time spent up to now is 232.5 secs Computing kpt #: 171 total cpu time spent up to now is 234.1 secs Computing kpt #: 172 total cpu time spent up to now is 235.7 secs Computing kpt #: 173 total cpu time spent up to now is 237.3 secs Computing kpt #: 174 total cpu time spent up to now is 238.9 secs Computing kpt #: 175 total cpu time spent up to now is 240.3 secs Computing kpt #: 176 total cpu time spent up to now is 241.7 secs Computing kpt #: 177 total cpu time spent up to now is 243.0 secs Computing kpt #: 178 total cpu time spent up to now is 244.3 secs Computing kpt #: 179 total cpu time spent up to now is 245.6 secs Computing kpt #: 180 total cpu time spent up to now is 246.9 secs Computing kpt #: 181 total cpu time spent up to now is 248.2 secs Computing kpt #: 182 total cpu time spent up to now is 249.4 secs Computing kpt #: 183 total cpu time spent up to now is 250.7 secs Computing kpt #: 184 total cpu time spent up to now is 251.9 secs Computing kpt #: 185 total cpu time spent up to now is 253.1 secs Computing kpt #: 186 total cpu time spent up to now is 254.3 secs Computing kpt #: 187 total cpu time spent up to now is 255.5 secs Computing kpt #: 188 total cpu time spent up to now is 256.7 secs Computing kpt #: 189 total cpu time spent up to now is 258.0 secs Computing kpt #: 190 total cpu time spent up to now is 259.2 secs Computing kpt #: 191 total cpu time spent up to now is 260.4 secs Computing kpt #: 192 total cpu time spent up to now is 261.6 secs Computing kpt #: 193 total cpu time spent up to now is 262.8 secs Computing kpt #: 194 total cpu time spent up to now is 264.1 secs Computing kpt #: 195 total cpu time spent up to now is 265.3 secs Computing kpt #: 196 total cpu time spent up to now is 266.5 secs Computing kpt #: 197 total cpu time spent up to now is 267.7 secs Computing kpt #: 198 total cpu time spent up to now is 269.0 secs Computing kpt #: 199 total cpu time spent up to now is 270.3 secs Computing kpt #: 200 total cpu time spent up to now is 271.6 secs Computing kpt #: 201 total cpu time spent up to now is 273.0 secs Computing kpt #: 202 total cpu time spent up to now is 274.3 secs Computing kpt #: 203 total cpu time spent up to now is 275.6 secs Computing kpt #: 204 total cpu time spent up to now is 277.0 secs Computing kpt #: 205 total cpu time spent up to now is 278.4 secs Computing kpt #: 206 total cpu time spent up to now is 279.8 secs Computing kpt #: 207 total cpu time spent up to now is 281.1 secs Computing kpt #: 208 total cpu time spent up to now is 282.6 secs Computing kpt #: 209 total cpu time spent up to now is 283.9 secs Computing kpt #: 210 total cpu time spent up to now is 285.3 secs Computing kpt #: 211 total cpu time spent up to now is 286.6 secs Computing kpt #: 212 total cpu time spent up to now is 287.9 secs Computing kpt #: 213 total cpu time spent up to now is 289.2 secs Computing kpt #: 214 total cpu time spent up to now is 290.5 secs Computing kpt #: 215 total cpu time spent up to now is 291.7 secs Computing kpt #: 216 total cpu time spent up to now is 293.0 secs Computing kpt #: 217 total cpu time spent up to now is 294.3 secs Computing kpt #: 218 total cpu time spent up to now is 295.6 secs Computing kpt #: 219 total cpu time spent up to now is 296.8 secs Computing kpt #: 220 total cpu time spent up to now is 298.1 secs Computing kpt #: 221 total cpu time spent up to now is 299.3 secs Computing kpt #: 222 total cpu time spent up to now is 300.5 secs Computing kpt #: 223 total cpu time spent up to now is 301.8 secs Computing kpt #: 224 total cpu time spent up to now is 303.0 secs Computing kpt #: 225 total cpu time spent up to now is 304.2 secs Computing kpt #: 226 total cpu time spent up to now is 305.4 secs Computing kpt #: 227 total cpu time spent up to now is 306.6 secs Computing kpt #: 228 total cpu time spent up to now is 307.9 secs Computing kpt #: 229 total cpu time spent up to now is 309.1 secs Computing kpt #: 230 total cpu time spent up to now is 310.3 secs Computing kpt #: 231 total cpu time spent up to now is 311.5 secs ethr = 1.79E-08, avg # of iterations = 31.0 total cpu time spent up to now is 311.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3016 -12.3016 -11.2596 -11.2596 -11.2589 -11.2589 -11.0402 -11.0402 -10.8473 -10.8473 -10.7825 -10.7825 -2.1899 -2.1899 -1.6966 -1.6966 -1.6441 -1.6441 -1.5241 -1.5241 -1.2059 -1.2059 -1.0826 -1.0826 -0.5117 -0.5117 -0.2287 -0.2287 -0.1457 -0.1457 1.0346 1.0346 1.6005 1.6005 1.6981 1.6981 1.7013 1.7013 2.1038 2.1038 2.1081 2.1081 2.1473 2.1473 2.2762 2.2762 2.2769 2.2769 4.1911 4.1911 4.4422 4.4422 4.7742 4.7742 8.5166 8.5166 8.5225 8.5225 9.9260 9.9260 k = 0.0156-0.0109-0.0074 ( 8549 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3012 -12.3012 -11.2596 -11.2596 -11.2590 -11.2590 -11.0402 -11.0402 -10.8475 -10.8475 -10.7828 -10.7828 -2.1893 -2.1893 -1.6965 -1.6965 -1.6441 -1.6441 -1.5238 -1.5238 -1.2065 -1.2065 -1.0833 -1.0833 -0.5107 -0.5107 -0.2278 -0.2278 -0.1450 -0.1450 1.0359 1.0359 1.5999 1.5999 1.6974 1.6974 1.7018 1.7018 2.0943 2.0943 2.1100 2.1100 2.1505 2.1505 2.2754 2.2754 2.2776 2.2776 4.1922 4.1922 4.4422 4.4422 4.7745 4.7745 8.5160 8.5160 8.5221 8.5221 9.9295 9.9295 k = 0.0312-0.0218-0.0149 ( 8537 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2999 -12.2999 -11.2599 -11.2599 -11.2590 -11.2590 -11.0404 -11.0404 -10.8482 -10.8482 -10.7837 -10.7837 -2.1877 -2.1877 -1.6961 -1.6961 -1.6441 -1.6441 -1.5228 -1.5228 -1.2083 -1.2083 -1.0855 -1.0855 -0.5078 -0.5078 -0.2250 -0.2250 -0.1425 -0.1425 1.0398 1.0398 1.5981 1.5981 1.6928 1.6928 1.7057 1.7057 2.0778 2.0778 2.1070 2.1070 2.1572 2.1572 2.2716 2.2716 2.2810 2.2810 4.1953 4.1953 4.4424 4.4424 4.7751 4.7751 8.5140 8.5140 8.5210 8.5210 9.9401 9.9401 k = 0.0469-0.0327-0.0223 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2978 -12.2978 -11.2604 -11.2604 -11.2590 -11.2590 -11.0406 -11.0406 -10.8493 -10.8493 -10.7851 -10.7851 -2.1850 -2.1850 -1.6955 -1.6955 -1.6440 -1.6440 -1.5210 -1.5210 -1.2112 -1.2112 -1.0890 -1.0890 -0.5032 -0.5032 -0.2207 -0.2207 -0.1382 -0.1382 1.0463 1.0463 1.5950 1.5950 1.6845 1.6845 1.7128 1.7128 2.0580 2.0580 2.0990 2.0990 2.1636 2.1636 2.2656 2.2656 2.2864 2.2864 4.2003 4.2003 4.4425 4.4425 4.7763 4.7763 8.5100 8.5100 8.5199 8.5199 9.9578 9.9578 k = 0.0625-0.0435-0.0297 ( 8540 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2948 -12.2948 -11.2611 -11.2611 -11.2589 -11.2589 -11.0410 -11.0410 -10.8508 -10.8508 -10.7870 -10.7870 -2.1812 -2.1812 -1.6949 -1.6949 -1.6437 -1.6437 -1.5186 -1.5186 -1.2150 -1.2150 -1.0934 -1.0934 -0.4976 -0.4976 -0.2151 -0.2151 -0.1317 -0.1317 1.0552 1.0552 1.5905 1.5905 1.6735 1.6735 1.7223 1.7223 2.0361 2.0361 2.0868 2.0868 2.1684 2.1684 2.2581 2.2581 2.2932 2.2932 4.2071 4.2071 4.4428 4.4428 4.7779 4.7779 8.5040 8.5040 8.5189 8.5189 9.9825 9.9825 k = 0.0781-0.0544-0.0372 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2910 -12.2910 -11.2621 -11.2621 -11.2588 -11.2588 -11.0415 -11.0415 -10.8529 -10.8529 -10.7894 -10.7894 -2.1764 -2.1764 -1.6944 -1.6944 -1.6431 -1.6431 -1.5155 -1.5155 -1.2195 -1.2195 -1.0985 -1.0985 -0.4912 -0.4912 -0.2087 -0.2087 -0.1224 -0.1224 1.0666 1.0666 1.5839 1.5839 1.6607 1.6607 1.7339 1.7339 2.0126 2.0126 2.0708 2.0708 2.1713 2.1713 2.2495 2.2495 2.3007 2.3007 4.2154 4.2154 4.4430 4.4430 4.7801 4.7801 8.4963 8.4963 8.5180 8.5180 10.0141 10.0141 k = 0.0938-0.0653-0.0446 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2864 -12.2864 -11.2634 -11.2634 -11.2586 -11.2586 -11.0421 -11.0421 -10.8555 -10.8555 -10.7921 -10.7921 -2.1708 -2.1708 -1.6943 -1.6943 -1.6421 -1.6421 -1.5118 -1.5118 -1.2243 -1.2243 -1.1040 -1.1040 -0.4849 -0.4849 -0.2019 -0.2019 -0.1103 -0.1103 1.0803 1.0803 1.5740 1.5740 1.6478 1.6478 1.7471 1.7471 1.9874 1.9874 2.0515 2.0515 2.1724 2.1724 2.2404 2.2404 2.3084 2.3084 4.2249 4.2249 4.4432 4.4432 4.7829 4.7829 8.4871 8.4871 8.5170 8.5170 10.0524 10.0524 k = 0.1094-0.0762-0.0521 ( 8522 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2810 -12.2810 -11.2647 -11.2647 -11.2583 -11.2583 -11.0430 -11.0430 -10.8587 -10.8587 -10.7951 -10.7951 -2.1643 -2.1643 -1.6948 -1.6948 -1.6405 -1.6405 -1.5074 -1.5074 -1.2293 -1.2293 -1.1094 -1.1094 -0.4792 -0.4792 -0.1946 -0.1946 -0.0952 -0.0952 1.0962 1.0962 1.5592 1.5592 1.6366 1.6366 1.7615 1.7615 1.9602 1.9602 2.0299 2.0299 2.1720 2.1720 2.2313 2.2313 2.3156 2.3156 4.2353 4.2353 4.4433 4.4433 4.7863 4.7863 8.4768 8.4768 8.5159 8.5159 10.0974 10.0974 k = 0.1250-0.0871-0.0595 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2748 -12.2748 -11.2663 -11.2663 -11.2580 -11.2580 -11.0441 -11.0441 -10.8624 -10.8624 -10.7982 -10.7982 -2.1570 -2.1570 -1.6959 -1.6959 -1.6382 -1.6382 -1.5025 -1.5025 -1.2340 -1.2340 -1.1143 -1.1143 -0.4745 -0.4745 -0.1868 -0.1868 -0.0773 -0.0773 1.1140 1.1140 1.5387 1.5387 1.6283 1.6283 1.7766 1.7766 1.9304 1.9304 2.0076 2.0076 2.1703 2.1703 2.2225 2.2225 2.3220 2.3220 4.2463 4.2463 4.4434 4.4434 4.7905 4.7905 8.4655 8.4655 8.5148 8.5148 10.1487 10.1487 k = 0.1406-0.0980-0.0669 ( 8527 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2679 -12.2679 -11.2680 -11.2680 -11.2577 -11.2577 -11.0455 -11.0455 -10.8668 -10.8668 -10.8014 -10.8014 -2.1491 -2.1491 -1.6978 -1.6978 -1.6354 -1.6354 -1.4972 -1.4972 -1.2380 -1.2380 -1.1185 -1.1185 -0.4715 -0.4715 -0.1785 -0.1785 -0.0570 -0.0570 1.1337 1.1337 1.5132 1.5132 1.6227 1.6227 1.7912 1.7912 1.8979 1.8979 1.9863 1.9863 2.1674 2.1674 2.2142 2.2142 2.3273 2.3273 4.2572 4.2572 4.4434 4.4434 4.7956 4.7956 8.4534 8.4534 8.5136 8.5136 10.2062 10.2062 k = 0.1562-0.1089-0.0744 ( 8529 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2604 -12.2604 -11.2698 -11.2698 -11.2573 -11.2573 -11.0473 -11.0473 -10.8718 -10.8718 -10.8045 -10.8045 -2.1407 -2.1407 -1.7003 -1.7003 -1.6321 -1.6321 -1.4914 -1.4914 -1.2412 -1.2412 -1.1215 -1.1215 -0.4703 -0.4703 -0.1696 -0.1696 -0.0348 -0.0348 1.1548 1.1548 1.4838 1.4838 1.6190 1.6190 1.8019 1.8019 1.8652 1.8652 1.9674 1.9674 2.1634 2.1634 2.2064 2.2064 2.3314 2.3314 4.2678 4.2678 4.4435 4.4435 4.8015 4.8015 8.4409 8.4409 8.5125 8.5125 10.2695 10.2695 k = 0.1719-0.1198-0.0818 ( 8519 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2522 -12.2522 -11.2718 -11.2718 -11.2569 -11.2569 -11.0494 -11.0494 -10.8772 -10.8772 -10.8075 -10.8075 -2.1320 -2.1320 -1.7035 -1.7035 -1.6284 -1.6284 -1.4854 -1.4854 -1.2430 -1.2430 -1.1231 -1.1231 -0.4711 -0.4711 -0.1602 -0.1602 -0.0112 -0.0112 1.1772 1.1772 1.4517 1.4517 1.6164 1.6164 1.7943 1.7943 1.8459 1.8459 1.9525 1.9525 2.1583 2.1583 2.1991 2.1991 2.3342 2.3342 4.2774 4.2774 4.4437 4.4437 4.8084 4.8084 8.4280 8.4280 8.5115 8.5115 10.3383 10.3383 k = 0.1875-0.1306-0.0892 ( 8515 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2435 -12.2435 -11.2737 -11.2737 -11.2564 -11.2564 -11.0521 -11.0521 -10.8831 -10.8831 -10.8103 -10.8103 -2.1230 -2.1230 -1.7072 -1.7072 -1.6246 -1.6246 -1.4792 -1.4792 -1.2433 -1.2433 -1.1230 -1.1230 -0.4738 -0.4738 -0.1504 -0.1504 0.0132 0.0132 1.2004 1.2004 1.4180 1.4180 1.6140 1.6140 1.7602 1.7602 1.8472 1.8472 1.9435 1.9435 2.1525 2.1525 2.1923 2.1923 2.3357 2.3357 4.2856 4.2856 4.4443 4.4443 4.8162 4.8162 8.4149 8.4149 8.5106 8.5106 10.4121 10.4121 k = 0.2031-0.1415-0.0967 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2342 -12.2342 -11.2758 -11.2758 -11.2559 -11.2559 -11.0553 -11.0553 -10.8893 -10.8893 -10.8130 -10.8130 -2.1140 -2.1140 -1.7112 -1.7112 -1.6208 -1.6208 -1.4729 -1.4729 -1.2418 -1.2418 -1.1209 -1.1209 -0.4785 -0.4785 -0.1405 -0.1405 0.0380 0.0380 1.2236 1.2236 1.3835 1.3835 1.6111 1.6111 1.7183 1.7183 1.8499 1.8499 1.9424 1.9424 2.1461 2.1461 2.1857 2.1857 2.3360 2.3360 4.2920 4.2920 4.4455 4.4455 4.8251 4.8251 8.4019 8.4019 8.5100 8.5100 10.4907 10.4907 k = 0.2188-0.1524-0.1041 ( 8514 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2245 -12.2245 -11.2778 -11.2778 -11.2553 -11.2553 -11.0592 -11.0592 -10.8957 -10.8957 -10.8155 -10.8155 -2.1052 -2.1052 -1.7155 -1.7155 -1.6172 -1.6172 -1.4664 -1.4664 -1.2383 -1.2383 -1.1168 -1.1168 -0.4848 -0.4848 -0.1309 -0.1309 0.0626 0.0626 1.2458 1.2458 1.3494 1.3494 1.6052 1.6052 1.6776 1.6776 1.8477 1.8477 1.9497 1.9497 2.1393 2.1393 2.1791 2.1791 2.3351 2.3351 4.2961 4.2961 4.4473 4.4473 4.8349 4.8349 8.3889 8.3889 8.5098 8.5098 10.5734 10.5734 k = 0.2344-0.1633-0.1115 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2145 -12.2145 -11.2799 -11.2799 -11.2547 -11.2547 -11.0638 -11.0638 -10.9021 -10.9021 -10.8178 -10.8178 -2.0966 -2.0966 -1.7200 -1.7200 -1.6138 -1.6138 -1.4597 -1.4597 -1.2327 -1.2327 -1.1106 -1.1106 -0.4926 -0.4926 -0.1218 -0.1218 0.0865 0.0865 1.2634 1.2634 1.3184 1.3184 1.5898 1.5898 1.6471 1.6471 1.8417 1.8417 1.9630 1.9630 2.1324 2.1324 2.1725 2.1725 2.3332 2.3332 4.2977 4.2977 4.4499 4.4499 4.8456 4.8456 8.3761 8.3761 8.5099 8.5099 10.6599 10.6599 k = 0.2500-0.1742-0.1190 ( 8502 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2041 -12.2041 -11.2818 -11.2818 -11.2540 -11.2540 -11.0691 -11.0691 -10.9083 -10.9083 -10.8199 -10.8199 -2.0885 -2.0885 -1.7246 -1.7246 -1.6108 -1.6108 -1.4528 -1.4528 -1.2250 -1.2250 -1.1021 -1.1021 -0.5018 -0.5018 -0.1136 -0.1136 0.1093 0.1093 1.2617 1.2617 1.3037 1.3037 1.5612 1.5612 1.6335 1.6335 1.8342 1.8342 1.9793 1.9793 2.1255 2.1255 2.1657 2.1657 2.3304 2.3304 4.2970 4.2970 4.4533 4.4533 4.8571 4.8571 8.3636 8.3636 8.5106 8.5106 10.7495 10.7495 k = 0.2656-0.1851-0.1264 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1935 -12.1935 -11.2838 -11.2838 -11.2533 -11.2533 -11.0752 -11.0752 -10.9143 -10.9143 -10.8219 -10.8219 -2.0809 -2.0809 -1.7293 -1.7293 -1.6082 -1.6082 -1.4455 -1.4455 -1.2154 -1.2154 -1.0915 -1.0915 -0.5120 -0.5120 -0.1067 -0.1067 0.1306 0.1306 1.2355 1.2355 1.3074 1.3074 1.5315 1.5315 1.6287 1.6287 1.8266 1.8266 1.9966 1.9966 2.1187 2.1187 2.1590 2.1590 2.3269 2.3269 4.2939 4.2939 4.4572 4.4572 4.8692 4.8692 8.3515 8.3515 8.5117 8.5117 10.8416 10.8416 k = 0.2812-0.1960-0.1339 ( 8511 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1828 -12.1828 -11.2856 -11.2856 -11.2525 -11.2525 -11.0821 -11.0821 -10.9199 -10.9199 -10.8237 -10.8237 -2.0741 -2.0741 -1.7340 -1.7340 -1.6061 -1.6061 -1.4376 -1.4376 -1.2040 -1.2040 -1.0788 -1.0788 -0.5232 -0.5232 -0.1013 -0.1013 0.1499 0.1499 1.2043 1.2043 1.3055 1.3055 1.5116 1.5116 1.6269 1.6269 1.8199 1.8199 2.0137 2.0137 2.1121 2.1121 2.1524 2.1524 2.3228 2.3228 4.2888 4.2888 4.4615 4.4615 4.8818 4.8818 8.3398 8.3398 8.5133 8.5133 10.9355 10.9355 k = 0.2969-0.2069-0.1413 ( 8517 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1721 -12.1721 -11.2873 -11.2873 -11.2517 -11.2517 -11.0897 -11.0897 -10.9250 -10.9250 -10.8253 -10.8253 -2.0679 -2.0679 -1.7386 -1.7386 -1.6045 -1.6045 -1.4291 -1.4291 -1.1909 -1.1909 -1.0642 -1.0642 -0.5351 -0.5351 -0.0976 -0.0976 0.1671 0.1671 1.1726 1.1726 1.2912 1.2912 1.5065 1.5065 1.6262 1.6262 1.8144 1.8144 2.0295 2.0295 2.1057 2.1057 2.1465 2.1465 2.3183 2.3183 4.2821 4.2821 4.4660 4.4660 4.8946 4.8946 8.3285 8.3285 8.5155 8.5155 11.0302 11.0302 k = 0.3125-0.2177-0.1487 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1614 -12.1614 -11.2888 -11.2888 -11.2508 -11.2508 -11.0980 -11.0980 -10.9297 -10.9297 -10.8268 -10.8268 -2.0626 -2.0626 -1.7433 -1.7433 -1.6033 -1.6033 -1.4198 -1.4198 -1.1766 -1.1766 -1.0479 -1.0479 -0.5477 -0.5477 -0.0959 -0.0959 0.1820 0.1820 1.1408 1.1408 1.2673 1.2673 1.5137 1.5137 1.6264 1.6264 1.8105 1.8105 2.0427 2.0427 2.0994 2.0994 2.1422 2.1422 2.3137 2.3137 4.2742 4.2742 4.4704 4.4704 4.9076 4.9076 8.3177 8.3177 8.5182 8.5182 11.1239 11.1239 k = 0.3281-0.2286-0.1562 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1510 -12.1510 -11.2902 -11.2902 -11.2498 -11.2498 -11.1067 -11.1067 -10.9338 -10.9338 -10.8282 -10.8282 -2.0581 -2.0581 -1.7478 -1.7478 -1.6025 -1.6025 -1.4099 -1.4099 -1.1613 -1.1613 -1.0301 -1.0301 -0.5608 -0.5608 -0.0962 -0.0962 0.1944 0.1944 1.1084 1.1084 1.2400 1.2400 1.5279 1.5279 1.6276 1.6276 1.8080 1.8080 2.0522 2.0522 2.0930 2.0930 2.1404 2.1404 2.3091 2.3091 4.2654 4.2654 4.4746 4.4746 4.9204 4.9204 8.3075 8.3075 8.5214 8.5214 11.2004 11.2004 k = 0.3438-0.2395-0.1636 ( 8523 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1408 -12.1408 -11.2914 -11.2914 -11.2488 -11.2488 -11.1159 -11.1159 -10.9374 -10.9374 -10.8294 -10.8294 -2.0543 -2.0543 -1.7522 -1.7522 -1.6021 -1.6021 -1.3993 -1.3993 -1.1454 -1.1454 -1.0109 -1.0109 -0.5744 -0.5744 -0.0984 -0.0984 0.2044 0.2044 1.0751 1.0751 1.2139 1.2139 1.5446 1.5446 1.6303 1.6303 1.8071 1.8071 2.0570 2.0570 2.0866 2.0866 2.1421 2.1421 2.3048 2.3048 4.2561 4.2561 4.4785 4.4785 4.9328 4.9328 8.2978 8.2978 8.5249 8.5249 11.1870 11.1870 k = 0.3594-0.2504-0.1710 ( 8527 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1312 -12.1312 -11.2923 -11.2923 -11.2477 -11.2477 -11.1252 -11.1252 -10.9405 -10.9405 -10.8306 -10.8306 -2.0513 -2.0513 -1.7564 -1.7564 -1.6020 -1.6020 -1.3883 -1.3883 -1.1291 -1.1291 -0.9907 -0.9907 -0.5883 -0.5883 -0.1025 -0.1025 0.2122 0.2122 1.0411 1.0411 1.1916 1.1916 1.5606 1.5606 1.6354 1.6354 1.8076 1.8076 2.0570 2.0570 2.0805 2.0805 2.1468 2.1468 2.3008 2.3008 4.2466 4.2466 4.4820 4.4820 4.9447 4.9447 8.2888 8.2888 8.5287 8.5287 11.1571 11.1571 k = 0.3750-0.2613-0.1785 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.1220 -12.1220 -11.2931 -11.2931 -11.2465 -11.2465 -11.1346 -11.1346 -10.9431 -10.9431 -10.8315 -10.8315 -2.0488 -2.0488 -1.7603 -1.7603 -1.6021 -1.6021 -1.3771 -1.3771 -1.1131 -1.1131 -0.9698 -0.9698 -0.6025 -0.6025 -0.1083 -0.1083 0.2180 0.2180 1.0069 1.0069 1.1738 1.1738 1.5734 1.5734 1.6438 1.6438 1.8092 1.8092 2.0526 2.0526 2.0755 2.0755 2.1531 2.1531 2.2976 2.2976 4.2373 4.2373 4.4850 4.4850 4.9559 4.9559 8.2806 8.2806 8.5327 8.5327 11.1278 11.1278 k = 0.3906-0.2722-0.1859 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1136 -12.1136 -11.2937 -11.2937 -11.2452 -11.2452 -11.1437 -11.1437 -10.9454 -10.9454 -10.8324 -10.8324 -2.0470 -2.0470 -1.7640 -1.7640 -1.6024 -1.6024 -1.3661 -1.3661 -1.0975 -1.0975 -0.9484 -0.9484 -0.6170 -0.6170 -0.1153 -0.1153 0.2221 0.2221 0.9737 0.9737 1.1602 1.1602 1.5822 1.5822 1.6555 1.6555 1.8118 1.8118 2.0453 2.0453 2.0718 2.0718 2.1595 2.1595 2.2951 2.2951 4.2283 4.2283 4.4877 4.4877 4.9661 4.9661 8.2731 8.2731 8.5367 8.5367 11.1005 11.1005 k = 0.4062-0.2831-0.1934 ( 8521 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1060 -12.1060 -11.2941 -11.2941 -11.2439 -11.2439 -11.1524 -11.1524 -10.9472 -10.9472 -10.8331 -10.8331 -2.0456 -2.0456 -1.7673 -1.7673 -1.6028 -1.6028 -1.3555 -1.3555 -1.0830 -1.0830 -0.9270 -0.9270 -0.6315 -0.6315 -0.1231 -0.1231 0.2248 0.2248 0.9427 0.9427 1.1502 1.1502 1.5876 1.5876 1.6694 1.6694 1.8151 1.8151 2.0365 2.0365 2.0690 2.0690 2.1652 2.1652 2.2935 2.2935 4.2200 4.2200 4.4899 4.4899 4.9753 4.9753 8.2664 8.2664 8.5406 8.5406 11.0757 11.0757 k = 0.4219-0.2940-0.2008 ( 8513 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0993 -12.0993 -11.2943 -11.2943 -11.2425 -11.2425 -11.1606 -11.1606 -10.9488 -10.9488 -10.8337 -10.8337 -2.0446 -2.0446 -1.7701 -1.7701 -1.6032 -1.6032 -1.3458 -1.3458 -1.0698 -1.0698 -0.9060 -0.9060 -0.6459 -0.6459 -0.1312 -0.1312 0.2264 0.2264 0.9149 0.9149 1.1431 1.1431 1.5908 1.5908 1.6836 1.6836 1.8188 1.8188 2.0275 2.0275 2.0668 2.0668 2.1697 2.1697 2.2928 2.2928 4.2126 4.2126 4.4918 4.4918 4.9833 4.9833 8.2607 8.2607 8.5442 8.5442 11.0539 11.0539 k = 0.4375-0.3048-0.2082 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0937 -12.0937 -11.2944 -11.2944 -11.2410 -11.2410 -11.1678 -11.1678 -10.9500 -10.9500 -10.8343 -10.8343 -2.0439 -2.0439 -1.7726 -1.7726 -1.6036 -1.6036 -1.3373 -1.3373 -1.0584 -1.0584 -0.8860 -0.8860 -0.6600 -0.6600 -0.1390 -0.1390 0.2274 0.2274 0.8910 0.8910 1.1381 1.1381 1.5927 1.5927 1.6967 1.6967 1.8226 1.8226 2.0189 2.0189 2.0651 2.0651 2.1729 2.1729 2.2928 2.2928 4.2063 4.2063 4.4932 4.4932 4.9900 4.9900 8.2559 8.2559 8.5474 8.5474 11.0355 11.0355 k = 0.4531-0.3157-0.2157 ( 8513 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0892 -12.0892 -11.2944 -11.2944 -11.2397 -11.2397 -11.1739 -11.1739 -10.9509 -10.9509 -10.8346 -10.8346 -2.0434 -2.0434 -1.7745 -1.7745 -1.6040 -1.6040 -1.3303 -1.3303 -1.0491 -1.0491 -0.8679 -0.8679 -0.6731 -0.6731 -0.1458 -0.1458 0.2278 0.2278 0.8718 0.8718 1.1349 1.1349 1.5939 1.5939 1.7079 1.7079 1.8260 1.8260 2.0114 2.0114 2.0637 2.0637 2.1748 2.1748 2.2932 2.2932 4.2012 4.2012 4.4943 4.4943 4.9953 4.9953 8.2521 8.2521 8.5500 8.5500 11.0209 11.0209 k = 0.4688-0.3266-0.2231 ( 8513 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0860 -12.0860 -11.2944 -11.2944 -11.2385 -11.2385 -11.1785 -11.1785 -10.9515 -10.9515 -10.8349 -10.8349 -2.0431 -2.0431 -1.7759 -1.7759 -1.6042 -1.6042 -1.3250 -1.3250 -1.0422 -1.0422 -0.8529 -0.8529 -0.6843 -0.6843 -0.1511 -0.1511 0.2279 0.2279 0.8577 0.8577 1.1328 1.1328 1.5946 1.5946 1.7163 1.7163 1.8287 1.8287 2.0057 2.0057 2.0628 2.0628 2.1760 2.1760 2.2938 2.2938 4.1974 4.1974 4.4951 4.4951 4.9992 4.9992 8.2494 8.2494 8.5520 8.5520 11.0102 11.0102 k = 0.4844-0.3375-0.2305 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0840 -12.0840 -11.2944 -11.2944 -11.2377 -11.2377 -11.1815 -11.1815 -10.9519 -10.9519 -10.8351 -10.8351 -2.0429 -2.0429 -1.7767 -1.7767 -1.6044 -1.6044 -1.3218 -1.3218 -1.0380 -1.0380 -0.8426 -0.8426 -0.6922 -0.6922 -0.1545 -0.1545 0.2279 0.2279 0.8491 0.8491 1.1317 1.1317 1.5950 1.5950 1.7216 1.7216 1.8305 1.8305 2.0020 2.0020 2.0623 2.0623 2.1765 2.1765 2.2942 2.2942 4.1952 4.1952 4.4956 4.4956 5.0015 5.0015 8.2477 8.2477 8.5532 8.5532 11.0037 11.0037 k = 0.5000-0.3484-0.2380 ( 8502 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0833 -12.0833 -11.2944 -11.2944 -11.2374 -11.2374 -11.1825 -11.1825 -10.9520 -10.9520 -10.8351 -10.8351 -2.0429 -2.0429 -1.7770 -1.7770 -1.6045 -1.6045 -1.3207 -1.3207 -1.0365 -1.0365 -0.8389 -0.8389 -0.6951 -0.6951 -0.1557 -0.1557 0.2279 0.2279 0.8462 0.8462 1.1314 1.1314 1.5951 1.5951 1.7234 1.7234 1.8311 1.8311 2.0007 2.0007 2.0621 2.0621 2.1767 2.1767 2.2944 2.2944 4.1944 4.1944 4.4957 4.4957 5.0023 5.0023 8.2472 8.2472 8.5536 8.5536 11.0016 11.0016 k = 0.5000-0.3484-0.2380 ( 8502 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0833 -12.0833 -11.2944 -11.2944 -11.2374 -11.2374 -11.1825 -11.1825 -10.9520 -10.9520 -10.8351 -10.8351 -2.0429 -2.0429 -1.7770 -1.7770 -1.6045 -1.6045 -1.3207 -1.3207 -1.0365 -1.0365 -0.8389 -0.8389 -0.6951 -0.6951 -0.1557 -0.1557 0.2279 0.2279 0.8462 0.8462 1.1314 1.1314 1.5951 1.5951 1.7234 1.7234 1.8311 1.8311 2.0007 2.0007 2.0621 2.0621 2.1767 2.1767 2.2944 2.2944 4.1944 4.1944 4.4957 4.4957 5.0023 5.0023 8.2472 8.2472 8.5536 8.5536 11.0016 11.0016 k = 0.5000-0.3370-0.2546 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0830 -12.0830 -11.2945 -11.2945 -11.2376 -11.2376 -11.1822 -11.1822 -10.9521 -10.9521 -10.8355 -10.8355 -2.0420 -2.0420 -1.7773 -1.7773 -1.6047 -1.6047 -1.3204 -1.3204 -1.0376 -1.0376 -0.8401 -0.8401 -0.6927 -0.6927 -0.1550 -0.1550 0.2277 0.2277 0.8472 0.8472 1.1313 1.1313 1.5944 1.5944 1.7232 1.7232 1.8293 1.8293 1.9969 1.9969 2.0635 2.0635 2.1780 2.1780 2.2951 2.2951 4.1956 4.1956 4.4960 4.4960 5.0017 5.0017 8.2472 8.2472 8.5533 8.5533 11.0034 11.0034 k = 0.5000-0.3257-0.2713 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0823 -12.0823 -11.2948 -11.2948 -11.2380 -11.2380 -11.1813 -11.1813 -10.9523 -10.9523 -10.8365 -10.8365 -2.0393 -2.0393 -1.7782 -1.7782 -1.6054 -1.6054 -1.3196 -1.3196 -1.0408 -1.0408 -0.8435 -0.8435 -0.6857 -0.6857 -0.1531 -0.1531 0.2270 0.2270 0.8501 0.8501 1.1310 1.1310 1.5925 1.5925 1.7228 1.7228 1.8240 1.8240 1.9866 1.9866 2.0667 2.0667 2.1818 2.1818 2.2971 2.2971 4.1994 4.1994 4.4967 4.4967 5.0001 5.0001 8.2475 8.2475 8.5526 8.5526 11.0089 11.0089 k = 0.5000-0.3143-0.2879 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0810 -12.0810 -11.2955 -11.2955 -11.2387 -11.2387 -11.1798 -11.1798 -10.9527 -10.9527 -10.8382 -10.8382 -2.0350 -2.0350 -1.7796 -1.7796 -1.6066 -1.6066 -1.3181 -1.3181 -1.0461 -1.0461 -0.8489 -0.8489 -0.6746 -0.6746 -0.1499 -0.1499 0.2258 0.2258 0.8548 0.8548 1.1308 1.1308 1.5893 1.5893 1.7219 1.7219 1.8154 1.8154 1.9719 1.9719 2.0708 2.0708 2.1875 2.1875 2.3004 2.3004 4.2055 4.2055 4.4980 4.4980 4.9974 4.9974 8.2480 8.2480 8.5513 8.5513 11.0181 11.0181 k = 0.5000-0.3029-0.3046 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0792 -12.0792 -11.2963 -11.2963 -11.2395 -11.2395 -11.1779 -11.1779 -10.9533 -10.9533 -10.8405 -10.8405 -2.0289 -2.0289 -1.7817 -1.7817 -1.6080 -1.6080 -1.3158 -1.3158 -1.0532 -1.0532 -0.8559 -0.8559 -0.6597 -0.6597 -0.1456 -0.1456 0.2242 0.2242 0.8608 0.8608 1.1308 1.1308 1.5848 1.5848 1.7203 1.7203 1.8037 1.8037 1.9542 1.9542 2.0749 2.0749 2.1945 2.1945 2.3048 2.3048 4.2138 4.2138 4.4997 4.4997 4.9936 4.9936 8.2486 8.2486 8.5496 8.5496 11.0307 11.0307 k = 0.5000-0.2915-0.3212 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0770 -12.0770 -11.2973 -11.2973 -11.2405 -11.2405 -11.1755 -11.1755 -10.9540 -10.9540 -10.8434 -10.8434 -2.0213 -2.0213 -1.7844 -1.7844 -1.6097 -1.6097 -1.3127 -1.3127 -1.0619 -1.0619 -0.8642 -0.8642 -0.6417 -0.6417 -0.1402 -0.1402 0.2220 0.2220 0.8678 0.8678 1.1316 1.1316 1.5788 1.5788 1.7173 1.7173 1.7896 1.7896 1.9349 1.9349 2.0789 2.0789 2.2020 2.2020 2.3100 2.3100 4.2241 4.2241 4.5019 4.5019 4.9890 4.9890 8.2494 8.2494 8.5474 8.5474 11.0467 11.0467 k = 0.5000-0.2802-0.3379 ( 8536 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0743 -12.0743 -11.2986 -11.2986 -11.2416 -11.2416 -11.1728 -11.1728 -10.9548 -10.9548 -10.8469 -10.8469 -2.0122 -2.0122 -1.7878 -1.7878 -1.6115 -1.6115 -1.3086 -1.3086 -1.0722 -1.0722 -0.8734 -0.8734 -0.6209 -0.6209 -0.1339 -0.1339 0.2193 0.2193 0.8752 0.8752 1.1335 1.1335 1.5714 1.5714 1.7115 1.7115 1.7748 1.7748 1.9146 1.9146 2.0828 2.0828 2.2097 2.2097 2.3159 2.3159 4.2362 4.2362 4.5044 4.5044 4.9837 4.9837 8.2503 8.2503 8.5447 8.5447 11.0657 11.0657 k = 0.5000-0.2688-0.3545 ( 8540 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0711 -12.0711 -11.3000 -11.3000 -11.2427 -11.2427 -11.1698 -11.1698 -10.9559 -10.9559 -10.8509 -10.8509 -2.0018 -2.0018 -1.7918 -1.7918 -1.6133 -1.6133 -1.3033 -1.3033 -1.0837 -1.0837 -0.8833 -0.8833 -0.5979 -0.5979 -0.1268 -0.1268 0.2161 0.2161 0.8824 0.8824 1.1372 1.1372 1.5625 1.5625 1.7007 1.7007 1.7618 1.7618 1.8940 1.8940 2.0867 2.0867 2.2171 2.2171 2.3223 2.3223 4.2497 4.2497 4.5073 4.5073 4.9776 4.9776 8.2512 8.2512 8.5415 8.5415 11.0874 11.0874 k = 0.5000-0.2574-0.3712 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0676 -12.0676 -11.3015 -11.3015 -11.2438 -11.2438 -11.1666 -11.1666 -10.9571 -10.9571 -10.8552 -10.8552 -1.9902 -1.9902 -1.7964 -1.7964 -1.6152 -1.6152 -1.2969 -1.2969 -1.0963 -1.0963 -0.8935 -0.8935 -0.5732 -0.5732 -0.1190 -0.1190 0.2123 0.2123 0.8887 0.8887 1.1432 1.1432 1.5518 1.5518 1.6830 1.6830 1.7528 1.7528 1.8733 1.8733 2.0906 2.0906 2.2241 2.2241 2.3292 2.3292 4.2643 4.2643 4.5106 4.5106 4.9712 4.9712 8.2522 8.2522 8.5378 8.5378 11.1115 11.1115 k = 0.5000-0.2460-0.3878 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0638 -12.0638 -11.3031 -11.3031 -11.2448 -11.2448 -11.1633 -11.1633 -10.9585 -10.9585 -10.8600 -10.8600 -1.9776 -1.9776 -1.8016 -1.8016 -1.6171 -1.6171 -1.2893 -1.2893 -1.1096 -1.1096 -0.9037 -0.9037 -0.5471 -0.5471 -0.1107 -0.1107 0.2079 0.2079 0.8937 0.8937 1.1518 1.1518 1.5393 1.5393 1.6597 1.6597 1.7475 1.7475 1.8527 1.8527 2.0945 2.0945 2.2302 2.2302 2.3363 2.3363 4.2796 4.2796 4.5141 4.5141 4.9644 4.9644 8.2532 8.2532 8.5337 8.5337 11.1374 11.1374 k = 0.5000-0.2347-0.4045 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0596 -12.0596 -11.3048 -11.3048 -11.2459 -11.2459 -11.1599 -11.1599 -10.9601 -10.9601 -10.8650 -10.8650 -1.9641 -1.9641 -1.8070 -1.8070 -1.6191 -1.6191 -1.2804 -1.2804 -1.1235 -1.1235 -0.9136 -0.9136 -0.5202 -0.5202 -0.1020 -0.1020 0.2030 0.2030 0.8970 0.8970 1.1633 1.1633 1.5245 1.5245 1.6333 1.6333 1.7441 1.7441 1.8324 1.8324 2.0983 2.0983 2.2354 2.2354 2.3435 2.3435 4.2954 4.2954 4.5180 4.5180 4.9577 4.9577 8.2541 8.2541 8.5290 8.5290 11.1646 11.1646 k = 0.5000-0.2233-0.4211 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0553 -12.0553 -11.3066 -11.3066 -11.2468 -11.2468 -11.1565 -11.1565 -10.9619 -10.9619 -10.8702 -10.8702 -1.9499 -1.9499 -1.8127 -1.8127 -1.6212 -1.6212 -1.2706 -1.2706 -1.1377 -1.1377 -0.9229 -0.9229 -0.4927 -0.4927 -0.0930 -0.0930 0.1975 0.1975 0.8985 0.8985 1.1776 1.1776 1.5071 1.5071 1.6061 1.6061 1.7413 1.7413 1.8124 1.8124 2.1023 2.1023 2.2395 2.2395 2.3508 2.3508 4.3112 4.3112 4.5221 4.5221 4.9511 4.9511 8.2549 8.2549 8.5238 8.5238 11.1923 11.1923 k = 0.5000-0.2119-0.4378 ( 8504 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0507 -12.0507 -11.3084 -11.3084 -11.2477 -11.2477 -11.1531 -11.1531 -10.9638 -10.9638 -10.8755 -10.8755 -1.9353 -1.9353 -1.8184 -1.8184 -1.6235 -1.6235 -1.2601 -1.2601 -1.1516 -1.1516 -0.9312 -0.9312 -0.4653 -0.4653 -0.0838 -0.0838 0.1914 0.1914 0.8983 0.8983 1.1943 1.1943 1.4867 1.4867 1.5799 1.5799 1.7381 1.7381 1.7932 1.7932 2.1062 2.1062 2.2426 2.2426 2.3581 2.3581 4.3266 4.3266 4.5265 4.5265 4.9449 4.9449 8.2555 8.2555 8.5181 8.5181 11.2198 11.2198 k = 0.5000-0.2006-0.4544 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0460 -12.0460 -11.3102 -11.3102 -11.2486 -11.2486 -11.1499 -11.1499 -10.9658 -10.9658 -10.8808 -10.8808 -1.9205 -1.9205 -1.8239 -1.8239 -1.6262 -1.6262 -1.2498 -1.2498 -1.1645 -1.1645 -0.9382 -0.9382 -0.4382 -0.4382 -0.0744 -0.0744 0.1848 0.1848 0.8967 0.8967 1.2129 1.2129 1.4632 1.4632 1.5559 1.5559 1.7332 1.7332 1.7754 1.7754 2.1103 2.1103 2.2444 2.2444 2.3650 2.3650 4.3413 4.3413 4.5312 4.5312 4.9394 4.9394 8.2558 8.2558 8.5119 8.5119 11.2462 11.2462 k = 0.5000-0.1892-0.4711 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0412 -12.0412 -11.3119 -11.3119 -11.2493 -11.2493 -11.1468 -11.1468 -10.9679 -10.9679 -10.8861 -10.8861 -1.9058 -1.9058 -1.8289 -1.8289 -1.6292 -1.6292 -1.2412 -1.2412 -1.1748 -1.1748 -0.9436 -0.9436 -0.4120 -0.4120 -0.0649 -0.0649 0.1778 0.1778 0.8942 0.8942 1.2322 1.2322 1.4377 1.4377 1.5347 1.5347 1.7247 1.7247 1.7606 1.7606 2.1144 2.1144 2.2451 2.2451 2.3716 2.3716 4.3549 4.3549 4.5362 4.5362 4.9347 4.9347 8.2557 8.2557 8.5051 8.5051 11.2709 11.2709 k = 0.5000-0.1778-0.4877 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0365 -12.0365 -11.3136 -11.3136 -11.2500 -11.2500 -11.1439 -11.1439 -10.9701 -10.9701 -10.8912 -10.8912 -1.8915 -1.8915 -1.8332 -1.8332 -1.6326 -1.6326 -1.2374 -1.2374 -1.1798 -1.1798 -0.9469 -0.9469 -0.3871 -0.3871 -0.0553 -0.0553 0.1704 0.1704 0.8909 0.8909 1.2507 1.2507 1.4120 1.4120 1.5160 1.5160 1.7114 1.7114 1.7498 1.7498 2.1187 2.1187 2.2449 2.2449 2.3777 2.3777 4.3673 4.3673 4.5415 4.5415 4.9311 4.9311 8.2553 8.2553 8.4978 8.4978 11.2932 11.2932 k = 0.5000-0.1664-0.5044 ( 8500 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0318 -12.0318 -11.3152 -11.3152 -11.2506 -11.2506 -11.1413 -11.1413 -10.9723 -10.9723 -10.8961 -10.8961 -1.8781 -1.8781 -1.8364 -1.8364 -1.6365 -1.6365 -1.2406 -1.2406 -1.1775 -1.1775 -0.9479 -0.9479 -0.3640 -0.3640 -0.0456 -0.0456 0.1629 0.1629 0.8874 0.8874 1.2658 1.2658 1.3894 1.3894 1.4998 1.4998 1.6943 1.6943 1.7418 1.7418 2.1231 2.1231 2.2436 2.2436 2.3829 2.3829 4.3782 4.3782 4.5472 4.5472 4.9288 4.9288 8.2544 8.2544 8.4899 8.4899 11.3133 11.3133 k = 0.5000-0.1551-0.5210 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0272 -12.0272 -11.3167 -11.3167 -11.2511 -11.2511 -11.1389 -11.1389 -10.9745 -10.9745 -10.9007 -10.9007 -1.8669 -1.8669 -1.8372 -1.8372 -1.6407 -1.6407 -1.2488 -1.2488 -1.1702 -1.1702 -0.9461 -0.9461 -0.3430 -0.3430 -0.0357 -0.0357 0.1555 0.1555 0.8837 0.8837 1.2727 1.2727 1.3744 1.3744 1.4863 1.4863 1.6756 1.6756 1.7343 1.7343 2.1276 2.1276 2.2416 2.2416 2.3873 2.3873 4.3876 4.3876 4.5533 4.5533 4.9279 4.9279 8.2530 8.2530 8.4815 8.4815 11.3315 11.3315 k = 0.5000-0.1437-0.5377 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0229 -12.0229 -11.3181 -11.3181 -11.2516 -11.2516 -11.1368 -11.1368 -10.9766 -10.9766 -10.9049 -10.9049 -1.8598 -1.8598 -1.8339 -1.8339 -1.6453 -1.6453 -1.2589 -1.2589 -1.1613 -1.1613 -0.9415 -0.9415 -0.3245 -0.3245 -0.0258 -0.0258 0.1483 0.1483 0.8802 0.8802 1.2673 1.2673 1.3703 1.3703 1.4764 1.4764 1.6562 1.6562 1.7262 1.7262 2.1323 2.1323 2.2390 2.2390 2.3905 2.3905 4.3954 4.3954 4.5595 4.5595 4.9283 4.9283 8.2510 8.2510 8.4726 8.4726 11.3485 11.3485 k = 0.5000-0.1323-0.5543 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0189 -12.0189 -11.3194 -11.3194 -11.2520 -11.2520 -11.1351 -11.1351 -10.9785 -10.9785 -10.9088 -10.9088 -1.8572 -1.8572 -1.8263 -1.8263 -1.6502 -1.6502 -1.2692 -1.2692 -1.1527 -1.1527 -0.9342 -0.9342 -0.3088 -0.3088 -0.0160 -0.0160 0.1418 0.1418 0.8770 0.8770 1.2525 1.2525 1.3725 1.3725 1.4720 1.4720 1.6370 1.6370 1.7169 1.7169 2.1371 2.1371 2.2359 2.2359 2.3925 2.3925 4.4018 4.4018 4.5659 4.5659 4.9301 4.9301 8.2484 8.2484 8.4632 8.4632 11.3648 11.3648 k = 0.5000-0.1209-0.5710 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0152 -12.0152 -11.3207 -11.3207 -11.2523 -11.2523 -11.1336 -11.1336 -10.9803 -10.9803 -10.9122 -10.9122 -1.8565 -1.8565 -1.8170 -1.8170 -1.6553 -1.6553 -1.2788 -1.2788 -1.1452 -1.1452 -0.9244 -0.9244 -0.2957 -0.2957 -0.0065 -0.0065 0.1364 0.1364 0.8741 0.8741 1.2342 1.2342 1.3732 1.3732 1.4746 1.4746 1.6188 1.6188 1.7060 1.7060 2.1420 2.1420 2.2325 2.2325 2.3931 2.3931 4.4071 4.4071 4.5723 4.5723 4.9333 4.9333 8.2453 8.2453 8.4534 8.4534 11.3792 11.3792 k = 0.5000-0.1096-0.5876 ( 8514 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0119 -12.0119 -11.3218 -11.3218 -11.2525 -11.2525 -11.1325 -11.1325 -10.9819 -10.9819 -10.9150 -10.9150 -1.8560 -1.8560 -1.8081 -1.8081 -1.6604 -1.6604 -1.2871 -1.2871 -1.1392 -1.1392 -0.9129 -0.9129 -0.2854 -0.2854 0.0023 0.0023 0.1325 0.1325 0.8717 0.8717 1.2162 1.2162 1.3693 1.3693 1.4825 1.4825 1.6031 1.6031 1.6933 1.6933 2.1469 2.1469 2.2291 2.2291 2.3923 2.3923 4.4115 4.4115 4.5786 4.5786 4.9377 4.9377 8.2416 8.2416 8.4432 8.4432 11.3865 11.3865 k = 0.5000-0.0982-0.6043 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0091 -12.0091 -11.3228 -11.3228 -11.2525 -11.2525 -11.1316 -11.1316 -10.9834 -10.9834 -10.9173 -10.9173 -1.8551 -1.8551 -1.8002 -1.8002 -1.6654 -1.6654 -1.2937 -1.2937 -1.1346 -1.1346 -0.9006 -0.9006 -0.2774 -0.2774 0.0099 0.0099 0.1305 0.1305 0.8697 0.8697 1.2001 1.2001 1.3617 1.3617 1.4905 1.4905 1.5927 1.5927 1.6788 1.6788 2.1517 2.1517 2.2259 2.2259 2.3899 2.3899 4.4152 4.4152 4.5848 4.5848 4.9430 4.9430 8.2373 8.2373 8.4329 8.4329 11.3855 11.3855 k = 0.5000-0.0868-0.6209 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0069 -12.0069 -11.3238 -11.3238 -11.2525 -11.2525 -11.1310 -11.1310 -10.9847 -10.9847 -10.9190 -10.9190 -1.8537 -1.8537 -1.7939 -1.7939 -1.6702 -1.6702 -1.2985 -1.2985 -1.1312 -1.1312 -0.8884 -0.8884 -0.2712 -0.2712 0.0160 0.0160 0.1307 0.1307 0.8682 0.8682 1.1869 1.1869 1.3522 1.3522 1.4918 1.4918 1.5921 1.5921 1.6623 1.6623 2.1563 2.1563 2.2230 2.2230 2.3859 2.3859 4.4186 4.4186 4.5908 4.5908 4.9491 4.9491 8.2326 8.2326 8.4224 8.4224 11.3808 11.3808 k = 0.5000-0.0755-0.6376 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0052 -12.0052 -11.3248 -11.3248 -11.2523 -11.2523 -11.1305 -11.1305 -10.9859 -10.9859 -10.9201 -10.9201 -1.8516 -1.8516 -1.7893 -1.7893 -1.6745 -1.6745 -1.3012 -1.3012 -1.1288 -1.1288 -0.8774 -0.8774 -0.2664 -0.2664 0.0203 0.0203 0.1331 0.1331 0.8671 0.8671 1.1770 1.1770 1.3421 1.3421 1.4835 1.4835 1.6023 1.6023 1.6441 1.6441 2.1605 2.1605 2.2209 2.2209 2.3803 2.3803 4.4219 4.4219 4.5965 4.5965 4.9557 4.9557 8.2273 8.2273 8.4119 8.4119 11.3752 11.3752 k = 0.5000-0.0641-0.6542 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0041 -12.0041 -11.3257 -11.3257 -11.2519 -11.2519 -11.1303 -11.1303 -10.9869 -10.9869 -10.9205 -10.9205 -1.8489 -1.8489 -1.7864 -1.7864 -1.6784 -1.6784 -1.3017 -1.3017 -1.1271 -1.1271 -0.8684 -0.8684 -0.2623 -0.2623 0.0231 0.0231 0.1375 0.1375 0.8665 0.8665 1.1704 1.1704 1.3323 1.3323 1.4685 1.4685 1.6154 1.6154 1.6285 1.6285 2.1641 2.1641 2.2196 2.2196 2.3730 2.3730 4.4253 4.4253 4.6019 4.6019 4.9626 4.9626 8.2218 8.2218 8.4014 8.4014 11.3695 11.3695 k = 0.7667 0.0752-0.2977 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0041 -12.0041 -11.3257 -11.3257 -11.2519 -11.2519 -11.1303 -11.1303 -10.9869 -10.9869 -10.9204 -10.9204 -1.8490 -1.8490 -1.7864 -1.7864 -1.6784 -1.6784 -1.3017 -1.3017 -1.1271 -1.1271 -0.8684 -0.8684 -0.2623 -0.2623 0.0231 0.0231 0.1374 0.1374 0.8665 0.8665 1.1704 1.1704 1.3323 1.3323 1.4685 1.4685 1.6154 1.6154 1.6285 1.6285 2.1641 2.1641 2.2196 2.2196 2.3730 2.3730 4.4253 4.4253 4.6019 4.6019 4.9626 4.9626 8.2218 8.2218 8.4014 8.4014 11.3695 11.3695 k = 0.7572 0.0818-0.2807 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0036 -12.0036 -11.3266 -11.3266 -11.2514 -11.2514 -11.1302 -11.1302 -10.9878 -10.9878 -10.9201 -10.9201 -1.8458 -1.8458 -1.7853 -1.7853 -1.6817 -1.6817 -1.3000 -1.3000 -1.1259 -1.1259 -0.8620 -0.8620 -0.2584 -0.2584 0.0246 0.0246 0.1432 0.1432 0.8663 0.8663 1.1669 1.1669 1.3231 1.3231 1.4498 1.4498 1.5983 1.5983 1.6451 1.6451 2.1670 2.1670 2.2193 2.2193 2.3640 2.3640 4.4292 4.4292 4.6071 4.6071 4.9697 4.9697 8.2159 8.2159 8.3910 8.3910 11.3637 11.3637 k = 0.7477 0.0884-0.2637 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0038 -12.0038 -11.3275 -11.3275 -11.2506 -11.2506 -11.1303 -11.1303 -10.9885 -10.9885 -10.9191 -10.9191 -1.8423 -1.8423 -1.7857 -1.7857 -1.6844 -1.6844 -1.2961 -1.2961 -1.1252 -1.1252 -0.8588 -0.8588 -0.2544 -0.2544 0.0254 0.0254 0.1495 0.1495 0.8666 0.8666 1.1663 1.1663 1.3155 1.3155 1.4298 1.4298 1.5737 1.5737 1.6691 1.6691 2.1691 2.1691 2.2201 2.2201 2.3534 2.3534 4.4334 4.4334 4.6120 4.6120 4.9766 4.9766 8.2098 8.2098 8.3808 8.3808 11.3582 11.3582 k = 0.7381 0.0951-0.2467 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0047 -12.0047 -11.3284 -11.3284 -11.2497 -11.2497 -11.1306 -11.1306 -10.9890 -10.9890 -10.9175 -10.9175 -1.8388 -1.8388 -1.7874 -1.7874 -1.6866 -1.6866 -1.2901 -1.2901 -1.1248 -1.1248 -0.8589 -0.8589 -0.2502 -0.2502 0.0259 0.0259 0.1559 0.1559 0.8675 0.8675 1.1678 1.1678 1.3097 1.3097 1.4099 1.4099 1.5472 1.5472 1.6943 1.6943 2.1704 2.1704 2.2219 2.2219 2.3415 2.3415 4.4383 4.4383 4.6164 4.6164 4.9831 4.9831 8.2039 8.2039 8.3711 8.3711 11.3529 11.3529 k = 0.7286 0.1017-0.2297 ( 8522 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0062 -12.0062 -11.3293 -11.3293 -11.2486 -11.2486 -11.1312 -11.1312 -10.9891 -10.9891 -10.9152 -10.9152 -1.8357 -1.8357 -1.7898 -1.7898 -1.6881 -1.6881 -1.2823 -1.2823 -1.1246 -1.1246 -0.8622 -0.8622 -0.2460 -0.2460 0.0264 0.0264 0.1617 0.1617 0.8687 0.8687 1.1701 1.1701 1.3060 1.3060 1.3917 1.3917 1.5190 1.5190 1.7197 1.7197 2.1710 2.1710 2.2243 2.2243 2.3284 2.3284 4.4438 4.4438 4.6205 4.6205 4.9890 4.9890 8.1981 8.1981 8.3618 8.3618 11.3478 11.3478 k = 0.7191 0.1083-0.2127 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0084 -12.0084 -11.3301 -11.3301 -11.2473 -11.2473 -11.1320 -11.1320 -10.9889 -10.9889 -10.9125 -10.9125 -1.8334 -1.8334 -1.7923 -1.7923 -1.6892 -1.6892 -1.2728 -1.2728 -1.1245 -1.1245 -0.8682 -0.8682 -0.2419 -0.2419 0.0271 0.0271 0.1668 0.1668 0.8703 0.8703 1.1719 1.1719 1.3035 1.3035 1.3778 1.3778 1.4897 1.4897 1.7452 1.7452 2.1709 2.1709 2.2270 2.2270 2.3146 2.3146 4.4498 4.4498 4.6242 4.6242 4.9941 4.9941 8.1928 8.1928 8.3531 8.3531 11.3426 11.3426 k = 0.7096 0.1150-0.1957 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0111 -12.0111 -11.3308 -11.3308 -11.2458 -11.2458 -11.1332 -11.1332 -10.9882 -10.9882 -10.9092 -10.9092 -1.8327 -1.8327 -1.7942 -1.7942 -1.6898 -1.6898 -1.2620 -1.2620 -1.1245 -1.1245 -0.8763 -0.8763 -0.2383 -0.2383 0.0281 0.0281 0.1708 0.1708 0.8719 0.8719 1.1721 1.1721 1.2991 1.2991 1.3720 1.3720 1.4601 1.4601 1.7704 1.7704 2.1700 2.1700 2.2295 2.2295 2.3007 2.3007 4.4565 4.4565 4.6273 4.6273 4.9984 4.9984 8.1881 8.1881 8.3449 8.3449 11.3374 11.3374 k = 0.7000 0.1216-0.1787 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0144 -12.0144 -11.3315 -11.3315 -11.2442 -11.2442 -11.1349 -11.1349 -10.9869 -10.9869 -10.9056 -10.9056 -1.8340 -1.8340 -1.7949 -1.7949 -1.6900 -1.6900 -1.2502 -1.2502 -1.1242 -1.1242 -0.8857 -0.8857 -0.2354 -0.2354 0.0293 0.0293 0.1737 0.1737 0.8734 0.8734 1.1702 1.1702 1.2901 1.2901 1.3759 1.3759 1.4322 1.4322 1.7953 1.7953 2.1679 2.1679 2.2313 2.2313 2.2876 2.2876 4.4637 4.4637 4.6300 4.6300 5.0018 5.0018 8.1841 8.1841 8.3373 8.3373 11.3320 11.3320 k = 0.6905 0.1283-0.1617 ( 8540 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0181 -12.0181 -11.3320 -11.3320 -11.2426 -11.2426 -11.1370 -11.1370 -10.9851 -10.9851 -10.9016 -10.9016 -1.8373 -1.8373 -1.7944 -1.7944 -1.6901 -1.6901 -1.2376 -1.2376 -1.1236 -1.1236 -0.8958 -0.8958 -0.2336 -0.2336 0.0305 0.0305 0.1754 0.1754 0.8744 0.8744 1.1662 1.1662 1.2776 1.2776 1.3759 1.3759 1.4191 1.4191 1.8196 1.8196 2.1638 2.1638 2.2319 2.2319 2.2770 2.2770 4.4713 4.4713 4.6320 4.6320 5.0041 5.0041 8.1811 8.1811 8.3303 8.3303 11.3262 11.3262 k = 0.6810 0.1349-0.1447 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0223 -12.0223 -11.3323 -11.3323 -11.2408 -11.2408 -11.1396 -11.1396 -10.9826 -10.9826 -10.8974 -10.8974 -1.8423 -1.8423 -1.7929 -1.7929 -1.6900 -1.6900 -1.2248 -1.2248 -1.1222 -1.1222 -0.9059 -0.9059 -0.2330 -0.2330 0.0315 0.0315 0.1758 0.1758 0.8744 0.8744 1.1609 1.1609 1.2639 1.2639 1.3536 1.3536 1.4368 1.4368 1.8433 1.8433 2.1566 2.1566 2.2308 2.2308 2.2700 2.2700 4.4792 4.4792 4.6334 4.6334 5.0055 5.0055 8.1792 8.1792 8.3239 8.3239 11.3201 11.3201 k = 0.6715 0.1415-0.1277 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0269 -12.0269 -11.3324 -11.3324 -11.2390 -11.2390 -11.1427 -11.1427 -10.9796 -10.9796 -10.8930 -10.8930 -1.8483 -1.8483 -1.7910 -1.7910 -1.6902 -1.6902 -1.2119 -1.2119 -1.1198 -1.1198 -0.9154 -0.9154 -0.2335 -0.2335 0.0323 0.0323 0.1749 0.1749 0.8730 0.8730 1.1551 1.1551 1.2500 1.2500 1.3249 1.3249 1.4679 1.4679 1.8663 1.8663 2.1458 2.1458 2.2288 2.2288 2.2668 2.2668 4.4872 4.4872 4.6341 4.6341 5.0060 5.0060 8.1784 8.1784 8.3180 8.3180 11.3135 11.3135 k = 0.6619 0.1482-0.1107 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0317 -12.0317 -11.3323 -11.3323 -11.2372 -11.2372 -11.1464 -11.1464 -10.9760 -10.9760 -10.8883 -10.8883 -1.8551 -1.8551 -1.7889 -1.7889 -1.6907 -1.6907 -1.1994 -1.1994 -1.1159 -1.1159 -0.9239 -0.9239 -0.2353 -0.2353 0.0325 0.0325 0.1725 0.1725 0.8697 0.8697 1.1496 1.1496 1.2354 1.2354 1.2974 1.2974 1.5050 1.5050 1.8884 1.8884 2.1313 2.1313 2.2272 2.2272 2.2663 2.2663 4.4952 4.4952 4.6341 4.6341 5.0055 5.0055 8.1790 8.1790 8.3128 8.3128 11.3064 11.3064 k = 0.6524 0.1548-0.0937 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0367 -12.0367 -11.3319 -11.3319 -11.2354 -11.2354 -11.1505 -11.1505 -10.9721 -10.9721 -10.8836 -10.8836 -1.8623 -1.8623 -1.7867 -1.7867 -1.6919 -1.6919 -1.1874 -1.1874 -1.1104 -1.1104 -0.9310 -0.9310 -0.2382 -0.2382 0.0321 0.0321 0.1687 0.1687 0.8642 0.8642 1.1451 1.1451 1.2182 1.2182 1.2742 1.2742 1.5460 1.5460 1.9095 1.9095 2.1139 2.1139 2.2267 2.2267 2.2672 2.2672 4.5029 4.5029 4.6334 4.6334 5.0043 5.0043 8.1809 8.1809 8.3080 8.3080 11.2987 11.2987 k = 0.6429 0.1614-0.0767 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0419 -12.0419 -11.3313 -11.3313 -11.2337 -11.2337 -11.1550 -11.1550 -10.9678 -10.9678 -10.8788 -10.8788 -1.8697 -1.8697 -1.7847 -1.7847 -1.6939 -1.6939 -1.1758 -1.1758 -1.1033 -1.1033 -0.9365 -0.9365 -0.2420 -0.2420 0.0311 0.0311 0.1635 0.1635 0.8565 0.8565 1.1417 1.1417 1.1974 1.1974 1.2577 1.2577 1.5899 1.5899 1.9292 1.9292 2.0950 2.0950 2.2271 2.2271 2.2686 2.2686 4.5102 4.5102 4.6320 4.6320 5.0023 5.0023 8.1841 8.1841 8.3037 8.3037 11.2907 11.2907 k = 0.6334 0.1681-0.0597 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0471 -12.0471 -11.3304 -11.3304 -11.2319 -11.2319 -11.1599 -11.1599 -10.9633 -10.9633 -10.8739 -10.8739 -1.8772 -1.8772 -1.7827 -1.7827 -1.6969 -1.6969 -1.1646 -1.1646 -1.0948 -1.0948 -0.9403 -0.9403 -0.2468 -0.2468 0.0295 0.0295 0.1567 0.1567 0.8467 0.8467 1.1379 1.1379 1.1757 1.1757 1.2470 1.2470 1.6356 1.6356 1.9468 1.9468 2.0760 2.0760 2.2283 2.2283 2.2701 2.2701 4.5168 4.5168 4.6300 4.6300 4.9998 4.9998 8.1886 8.1886 8.3000 8.3000 11.2822 11.2822 k = 0.6238 0.1747-0.0427 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0523 -12.0523 -11.3293 -11.3293 -11.2303 -11.2303 -11.1650 -11.1650 -10.9587 -10.9587 -10.8690 -10.8690 -1.8848 -1.8848 -1.7809 -1.7809 -1.7007 -1.7007 -1.1532 -1.1532 -1.0856 -1.0856 -0.9421 -0.9421 -0.2524 -0.2524 0.0273 0.0273 0.1485 0.1485 0.8349 0.8349 1.1272 1.1272 1.1618 1.1618 1.2402 1.2402 1.6824 1.6824 1.9609 1.9609 2.0592 2.0592 2.2298 2.2298 2.2716 2.2716 4.5223 4.5223 4.6275 4.6275 4.9970 4.9970 8.1943 8.1943 8.2967 8.2967 11.2735 11.2735 k = 0.6143 0.1814-0.0257 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0574 -12.0574 -11.3279 -11.3279 -11.2287 -11.2287 -11.1704 -11.1704 -10.9541 -10.9541 -10.8642 -10.8642 -1.8923 -1.8923 -1.7791 -1.7791 -1.7054 -1.7054 -1.1416 -1.1416 -1.0762 -1.0762 -0.9419 -0.9419 -0.2586 -0.2586 0.0246 0.0246 0.1389 0.1389 0.8218 0.8218 1.1063 1.1063 1.1602 1.1602 1.2358 1.2358 1.7293 1.7293 1.9684 1.9684 2.0481 2.0481 2.2314 2.2314 2.2729 2.2729 4.5266 4.5266 4.6250 4.6250 4.9938 4.9938 8.2010 8.2010 8.2938 8.2938 11.2646 11.2646 k = 0.6048 0.1880-0.0087 ( 8544 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0624 -12.0624 -11.3262 -11.3262 -11.2272 -11.2272 -11.1759 -11.1759 -10.9496 -10.9496 -10.8595 -10.8595 -1.8997 -1.8997 -1.7775 -1.7775 -1.7107 -1.7107 -1.1294 -1.1294 -1.0672 -1.0672 -0.9396 -0.9396 -0.2654 -0.2654 0.0214 0.0214 0.1282 0.1282 0.8077 0.8077 1.0825 1.0825 1.1644 1.1644 1.2329 1.2329 1.7754 1.7754 1.9655 1.9655 2.0471 2.0471 2.2329 2.2329 2.2740 2.2740 4.5292 4.5292 4.6225 4.6225 4.9906 4.9906 8.2087 8.2087 8.2913 8.2913 11.2556 11.2556 k = 0.5953 0.1946 0.0083 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0672 -12.0672 -11.3243 -11.3243 -11.2259 -11.2259 -11.1815 -11.1815 -10.9453 -10.9453 -10.8549 -10.8549 -1.9069 -1.9069 -1.7760 -1.7760 -1.7163 -1.7163 -1.1167 -1.1167 -1.0592 -1.0592 -0.9353 -0.9353 -0.2726 -0.2726 0.0180 0.0180 0.1167 0.1167 0.7932 0.7932 1.0593 1.0593 1.1711 1.1711 1.2311 1.2311 1.8195 1.8195 1.9543 1.9543 2.0549 2.0549 2.2343 2.2343 2.2749 2.2749 4.5300 4.5300 4.6205 4.6205 4.9875 4.9875 8.2171 8.2171 8.2892 8.2892 11.2468 11.2468 k = 0.5857 0.2013 0.0253 ( 8536 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0716 -12.0716 -11.3222 -11.3222 -11.2246 -11.2246 -11.1871 -11.1871 -10.9413 -10.9413 -10.8505 -10.8505 -1.9138 -1.9138 -1.7747 -1.7747 -1.7221 -1.7221 -1.1036 -1.1036 -1.0523 -1.0523 -0.9290 -0.9290 -0.2802 -0.2802 0.0142 0.0142 0.1048 0.1048 0.7786 0.7786 1.0377 1.0377 1.1789 1.1789 1.2301 1.2301 1.8594 1.8594 1.9411 1.9411 2.0672 2.0672 2.2353 2.2353 2.2754 2.2754 4.5287 4.5287 4.6193 4.6193 4.9844 4.9844 8.2259 8.2259 8.2874 8.2874 11.2383 11.2383 k = 0.5762 0.2079 0.0423 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0758 -12.0758 -11.3200 -11.3200 -11.2235 -11.2235 -11.1925 -11.1925 -10.9375 -10.9375 -10.8464 -10.8464 -1.9204 -1.9204 -1.7737 -1.7737 -1.7276 -1.7276 -1.0906 -1.0906 -1.0467 -1.0467 -0.9213 -0.9213 -0.2879 -0.2879 0.0103 0.0103 0.0929 0.0929 0.7644 0.7644 1.0181 1.0181 1.1874 1.1874 1.2297 1.2297 1.8866 1.8866 1.9366 1.9366 2.0811 2.0811 2.2360 2.2360 2.2757 2.2757 4.5256 4.5256 4.6189 4.6189 4.9816 4.9816 8.2349 8.2349 8.2860 8.2860 11.2301 11.2301 k = 0.5667 0.2145 0.0593 ( 8536 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0796 -12.0796 -11.3177 -11.3177 -11.2224 -11.2224 -11.1977 -11.1977 -10.9341 -10.9341 -10.8426 -10.8426 -1.9265 -1.9265 -1.7731 -1.7731 -1.7327 -1.7327 -1.0778 -1.0778 -1.0423 -1.0423 -0.9125 -0.9125 -0.2958 -0.2958 0.0062 0.0062 0.0814 0.0814 0.7509 0.7509 1.0008 1.0008 1.1960 1.1960 1.2298 1.2298 1.8866 1.8866 1.9560 1.9560 2.0958 2.0958 2.2363 2.2363 2.2758 2.2758 4.5210 4.5210 4.6191 4.6191 4.9792 4.9792 8.2437 8.2437 8.2849 8.2849 11.2226 11.2226 k = 0.5572 0.2212 0.0763 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0830 -12.0830 -11.3153 -11.3153 -11.2215 -11.2215 -11.2027 -11.2027 -10.9311 -10.9311 -10.8392 -10.8392 -1.9322 -1.9322 -1.7729 -1.7729 -1.7370 -1.7370 -1.0658 -1.0658 -1.0389 -1.0389 -0.9031 -0.9031 -0.3035 -0.3035 0.0020 0.0020 0.0708 0.0708 0.7384 0.7384 0.9859 0.9859 1.2043 1.2043 1.2301 1.2301 1.8747 1.8747 1.9841 1.9841 2.1106 2.1106 2.2362 2.2362 2.2756 2.2756 4.5154 4.5154 4.6199 4.6199 4.9770 4.9770 8.2521 8.2521 8.2840 8.2840 11.2158 11.2158 k = 0.5476 0.2278 0.0933 ( 8554 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0859 -12.0859 -11.3130 -11.3130 -11.2208 -11.2208 -11.2072 -11.2072 -10.9286 -10.9286 -10.8362 -10.8362 -1.9371 -1.9371 -1.7731 -1.7731 -1.7404 -1.7404 -1.0549 -1.0549 -1.0363 -1.0363 -0.8938 -0.8938 -0.3108 -0.3108 -0.0023 -0.0023 0.0616 0.0616 0.7273 0.7273 0.9735 0.9735 1.2120 1.2120 1.2307 1.2307 1.8616 1.8616 2.0098 2.0098 2.1253 2.1253 2.2356 2.2356 2.2753 2.2753 4.5094 4.5094 4.6209 4.6209 4.9752 4.9752 8.2596 8.2596 8.2835 8.2835 11.2098 11.2098 k = 0.5381 0.2345 0.1103 ( 8550 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0883 -12.0883 -11.3109 -11.3109 -11.2202 -11.2202 -11.2112 -11.2112 -10.9265 -10.9265 -10.8336 -10.8336 -1.9414 -1.9414 -1.7736 -1.7736 -1.7429 -1.7429 -1.0455 -1.0455 -1.0343 -1.0343 -0.8852 -0.8852 -0.3174 -0.3174 -0.0063 -0.0063 0.0539 0.0539 0.7177 0.7177 0.9634 0.9634 1.2187 1.2187 1.2314 1.2314 1.8498 1.8498 2.0310 2.0310 2.1395 2.1395 2.2346 2.2346 2.2749 2.2749 4.5037 4.5037 4.6219 4.6219 4.9737 4.9737 8.2660 8.2660 8.2835 8.2835 11.2048 11.2048 k = 0.5286 0.2411 0.1273 ( 8554 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0902 -12.0902 -11.3091 -11.3091 -11.2197 -11.2197 -11.2145 -11.2145 -10.9248 -10.9248 -10.8316 -10.8316 -1.9448 -1.9448 -1.7744 -1.7744 -1.7446 -1.7446 -1.0382 -1.0382 -1.0325 -1.0325 -0.8777 -0.8777 -0.3230 -0.3230 -0.0100 -0.0100 0.0481 0.0481 0.7100 0.7100 0.9556 0.9556 1.2240 1.2240 1.2322 1.2322 1.8401 1.8401 2.0471 2.0471 2.1524 2.1524 2.2333 2.2333 2.2744 2.2744 4.4987 4.4987 4.6229 4.6229 4.9726 4.9726 8.2707 8.2707 8.2840 8.2840 11.2008 11.2008 k = 0.5191 0.2477 0.1443 ( 8566 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0916 -12.0916 -11.3076 -11.3076 -11.2193 -11.2193 -11.2169 -11.2169 -10.9236 -10.9236 -10.8301 -10.8301 -1.9473 -1.9473 -1.7751 -1.7751 -1.7456 -1.7456 -1.0340 -1.0340 -1.0301 -1.0301 -0.8720 -0.8720 -0.3273 -0.3273 -0.0129 -0.0129 0.0440 0.0440 0.7044 0.7044 0.9501 0.9501 1.2275 1.2275 1.2333 1.2333 1.8329 1.8329 2.0583 2.0583 2.1629 2.1629 2.2318 2.2318 2.2739 2.2739 4.4948 4.4948 4.6237 4.6237 4.9718 4.9718 8.2736 8.2736 8.2849 8.2849 11.1979 11.1979 k = 0.5095 0.2544 0.1613 ( 8576 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0924 -12.0924 -11.3067 -11.3067 -11.2192 -11.2192 -11.2184 -11.2184 -10.9229 -10.9229 -10.8293 -10.8293 -1.9488 -1.9488 -1.7756 -1.7756 -1.7462 -1.7462 -1.0327 -1.0327 -1.0275 -1.0275 -0.8683 -0.8683 -0.3301 -0.3301 -0.0148 -0.0148 0.0415 0.0415 0.7010 0.7010 0.9468 0.9468 1.2292 1.2292 1.2344 1.2344 1.8285 1.8285 2.0648 2.0648 2.1700 2.1700 2.2306 2.2306 2.2736 2.2736 4.4923 4.4923 4.6241 4.6241 4.9714 4.9714 8.2750 8.2750 8.2859 8.2859 11.1961 11.1961 k = 0.5000 0.2610 0.1783 ( 8576 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0927 -12.0927 -11.3064 -11.3064 -11.2193 -11.2193 -11.2187 -11.2187 -10.9227 -10.9227 -10.8290 -10.8290 -1.9493 -1.9493 -1.7758 -1.7758 -1.7464 -1.7464 -1.0324 -1.0324 -1.0264 -1.0264 -0.8671 -0.8671 -0.3310 -0.3310 -0.0155 -0.0155 0.0407 0.0407 0.6998 0.6998 0.9458 0.9458 1.2297 1.2297 1.2349 1.2349 1.8270 1.8270 2.0670 2.0670 2.1725 2.1725 2.2301 2.2301 2.2735 2.2735 4.4914 4.4914 4.6243 4.6243 4.9712 4.9712 8.2754 8.2754 8.2864 8.2864 11.1955 11.1955 k = 0.5000 0.2610 0.1783 ( 8576 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0927 -12.0927 -11.3064 -11.3064 -11.2193 -11.2193 -11.2187 -11.2187 -10.9227 -10.9227 -10.8290 -10.8290 -1.9493 -1.9493 -1.7758 -1.7758 -1.7464 -1.7464 -1.0324 -1.0324 -1.0264 -1.0264 -0.8671 -0.8671 -0.3310 -0.3310 -0.0155 -0.0155 0.0407 0.0407 0.6998 0.6998 0.9458 0.9458 1.2297 1.2297 1.2349 1.2349 1.8270 1.8270 2.0670 2.0670 2.1725 2.1725 2.2301 2.2301 2.2735 2.2735 4.4914 4.4914 4.6243 4.6243 4.9712 4.9712 8.2754 8.2754 8.2864 8.2864 11.1955 11.1955 k = 0.4828 0.2520 0.1721 ( 8575 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0935 -12.0935 -11.3054 -11.3054 -11.2194 -11.2194 -11.2189 -11.2189 -10.9225 -10.9225 -10.8288 -10.8288 -1.9493 -1.9493 -1.7754 -1.7754 -1.7458 -1.7458 -1.0363 -1.0363 -1.0279 -1.0279 -0.8691 -0.8691 -0.3301 -0.3301 -0.0148 -0.0148 0.0411 0.0411 0.7039 0.7039 0.9465 0.9465 1.2299 1.2299 1.2350 1.2350 1.8267 1.8267 2.0671 2.0671 2.1725 2.1725 2.2306 2.2306 2.2741 2.2741 4.4909 4.4909 4.6238 4.6238 4.9707 4.9707 8.2760 8.2760 8.2869 8.2869 11.1945 11.1945 k = 0.4655 0.2430 0.1660 ( 8563 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0960 -12.0960 -11.3023 -11.3023 -11.2198 -11.2198 -11.2193 -11.2193 -10.9219 -10.9219 -10.8284 -10.8284 -1.9492 -1.9492 -1.7743 -1.7743 -1.7443 -1.7443 -1.0480 -1.0480 -1.0322 -1.0322 -0.8748 -0.8748 -0.3274 -0.3274 -0.0128 -0.0128 0.0422 0.0422 0.7162 0.7162 0.9489 0.9489 1.2306 1.2306 1.2353 1.2353 1.8259 1.8259 2.0674 2.0674 2.1725 2.1725 2.2321 2.2321 2.2758 2.2758 4.4893 4.4893 4.6225 4.6225 4.9693 4.9693 8.2779 8.2779 8.2886 8.2886 11.1911 11.1911 k = 0.4483 0.2340 0.1598 ( 8551 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1000 -12.1000 -11.2973 -11.2973 -11.2205 -11.2205 -11.2199 -11.2199 -10.9209 -10.9209 -10.8276 -10.8276 -1.9492 -1.9492 -1.7724 -1.7724 -1.7417 -1.7417 -1.0668 -1.0668 -1.0392 -1.0392 -0.8840 -0.8840 -0.3234 -0.3234 -0.0098 -0.0098 0.0438 0.0438 0.7356 0.7356 0.9533 0.9533 1.2319 1.2319 1.2360 1.2360 1.8245 1.8245 2.0680 2.0680 2.1725 2.1725 2.2346 2.2346 2.2786 2.2786 4.4866 4.4866 4.6202 4.6202 4.9669 4.9669 8.2810 8.2810 8.2914 8.2914 11.1842 11.1842 k = 0.4310 0.2250 0.1537 ( 8557 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1055 -12.1055 -11.2905 -11.2905 -11.2214 -11.2214 -11.2208 -11.2208 -10.9196 -10.9196 -10.8266 -10.8266 -1.9492 -1.9492 -1.7698 -1.7698 -1.7381 -1.7381 -1.0917 -1.0917 -1.0486 -1.0486 -0.8962 -0.8962 -0.3186 -0.3186 -0.0060 -0.0060 0.0455 0.0455 0.7607 0.7607 0.9609 0.9609 1.2341 1.2341 1.2373 1.2373 1.8226 1.8226 2.0689 2.0689 2.1726 2.1726 2.2377 2.2377 2.2821 2.2821 4.4828 4.4828 4.6170 4.6170 4.9636 4.9636 8.2853 8.2853 8.2953 8.2953 11.1721 11.1721 k = 0.4138 0.2160 0.1475 ( 8548 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1123 -12.1123 -11.2820 -11.2820 -11.2225 -11.2225 -11.2219 -11.2219 -10.9179 -10.9179 -10.8253 -10.8253 -1.9495 -1.9495 -1.7665 -1.7665 -1.7336 -1.7336 -1.1217 -1.1217 -1.0602 -1.0602 -0.9106 -0.9106 -0.3136 -0.3136 -0.0019 -0.0019 0.0470 0.0470 0.7892 0.7892 0.9732 0.9732 1.2374 1.2374 1.2394 1.2394 1.8201 1.8201 2.0701 2.0701 2.1730 2.1730 2.2414 2.2414 2.2862 2.2862 4.4779 4.4779 4.6130 4.6130 4.9594 4.9594 8.2908 8.2908 8.3003 8.3003 11.1519 11.1519 k = 0.3966 0.2070 0.1414 ( 8551 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1202 -12.1202 -11.2720 -11.2720 -11.2237 -11.2237 -11.2232 -11.2232 -10.9159 -10.9159 -10.8238 -10.8238 -1.9500 -1.9500 -1.7626 -1.7626 -1.7282 -1.7282 -1.1555 -1.1555 -1.0735 -1.0735 -0.9269 -0.9269 -0.3091 -0.3091 0.0020 0.0020 0.0478 0.0478 0.8176 0.8176 0.9928 0.9928 1.2421 1.2421 1.2427 1.2427 1.8171 1.8171 2.0717 2.0717 2.1737 2.1737 2.2455 2.2455 2.2906 2.2906 4.4719 4.4719 4.6081 4.6081 4.9543 4.9543 8.2974 8.2974 8.3063 8.3063 11.1208 11.1208 k = 0.3793 0.1980 0.1352 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1292 -12.1292 -11.2608 -11.2608 -11.2251 -11.2251 -11.2248 -11.2248 -10.9136 -10.9136 -10.8221 -10.8221 -1.9511 -1.9511 -1.7582 -1.7582 -1.7220 -1.7220 -1.1918 -1.1918 -1.0882 -1.0882 -0.9444 -0.9444 -0.3055 -0.3055 0.0052 0.0052 0.0477 0.0477 0.8425 0.8425 1.0223 1.0223 1.2476 1.2476 1.2486 1.2486 1.8135 1.8135 2.0737 2.0737 2.1748 2.1748 2.2496 2.2496 2.2950 2.2950 4.4649 4.4649 4.6025 4.6025 4.9483 4.9483 8.3052 8.3052 8.3133 8.3133 11.0778 11.0778 k = 0.3621 0.1890 0.1291 ( 8527 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1390 -12.1390 -11.2488 -11.2488 -11.2265 -11.2265 -11.2265 -11.2265 -10.9109 -10.9109 -10.8201 -10.8201 -1.9528 -1.9528 -1.7534 -1.7534 -1.7152 -1.7152 -1.2295 -1.2295 -1.1038 -1.1038 -0.9625 -0.9625 -0.3034 -0.3034 0.0072 0.0072 0.0464 0.0464 0.8619 0.8619 1.0626 1.0626 1.2544 1.2544 1.2572 1.2572 1.8093 1.8093 2.0761 2.0761 2.1762 2.1762 2.2536 2.2536 2.2992 2.2992 4.4567 4.4567 4.5960 4.5960 4.9415 4.9415 8.3139 8.3139 8.3213 8.3213 11.0239 11.0239 k = 0.3448 0.1800 0.1230 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.1494 -12.1494 -11.2371 -11.2371 -11.2283 -11.2283 -11.2267 -11.2267 -10.9080 -10.9080 -10.8180 -10.8180 -1.9555 -1.9555 -1.7484 -1.7484 -1.7078 -1.7078 -1.2674 -1.2674 -1.1198 -1.1198 -0.9808 -0.9808 -0.3029 -0.3029 0.0075 0.0075 0.0437 0.0437 0.8763 0.8763 1.1120 1.1120 1.2635 1.2635 1.2686 1.2686 1.8046 1.8046 2.0789 2.0789 2.1780 2.1780 2.2571 2.2571 2.3030 2.3030 4.4475 4.4475 4.5889 4.5889 4.9340 4.9340 8.3237 8.3237 8.3301 8.3301 10.9613 10.9613 k = 0.3276 0.1710 0.1168 ( 8497 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.1603 -12.1603 -11.2330 -11.2330 -11.2303 -11.2303 -11.2189 -11.2189 -10.9049 -10.9049 -10.8157 -10.8157 -1.9594 -1.9594 -1.7431 -1.7431 -1.7001 -1.7001 -1.3045 -1.3045 -1.1360 -1.1360 -0.9989 -0.9989 -0.3044 -0.3044 0.0059 0.0059 0.0394 0.0394 0.8874 0.8874 1.1676 1.1676 1.2750 1.2750 1.2833 1.2833 1.7995 1.7995 2.0820 2.0820 2.1802 2.1802 2.2601 2.2601 2.3061 2.3061 4.4373 4.4373 4.5812 4.5812 4.9257 4.9257 8.3343 8.3343 8.3399 8.3399 10.8922 10.8922 k = 0.3103 0.1620 0.1107 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.1715 -12.1715 -11.2341 -11.2341 -11.2323 -11.2323 -11.2054 -11.2054 -10.9015 -10.9015 -10.8134 -10.8134 -1.9647 -1.9647 -1.7379 -1.7379 -1.6921 -1.6921 -1.3398 -1.3398 -1.1518 -1.1518 -1.0164 -1.0164 -0.3080 -0.3080 0.0020 0.0020 0.0335 0.0335 0.8966 0.8966 1.2251 1.2251 1.2891 1.2891 1.3033 1.3033 1.7941 1.7941 2.0856 2.0856 2.1827 2.1827 2.2623 2.2623 2.3084 2.3084 4.4259 4.4259 4.5728 4.5728 4.9168 4.9168 8.3457 8.3457 8.3503 8.3503 10.8188 10.8188 k = 0.2931 0.1530 0.1045 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1828 -12.1828 -11.2360 -11.2360 -11.2344 -11.2344 -11.1910 -11.1910 -10.8980 -10.8980 -10.8109 -10.8109 -1.9719 -1.9719 -1.7327 -1.7327 -1.6841 -1.6841 -1.3726 -1.3726 -1.1669 -1.1669 -1.0329 -1.0329 -0.3136 -0.3136 -0.0043 -0.0043 0.0260 0.0260 0.9050 0.9050 1.2766 1.2766 1.3060 1.3060 1.3345 1.3345 1.7887 1.7887 2.0896 2.0896 2.1854 2.1854 2.2635 2.2635 2.3097 2.3097 4.4136 4.4136 4.5640 4.5640 4.9073 4.9073 8.3578 8.3578 8.3615 8.3615 10.7430 10.7430 k = 0.2759 0.1440 0.0984 ( 8548 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.1941 -12.1941 -11.2380 -11.2380 -11.2366 -11.2366 -11.1765 -11.1765 -10.8943 -10.8943 -10.8084 -10.8084 -1.9809 -1.9809 -1.7277 -1.7277 -1.6762 -1.6762 -1.4023 -1.4023 -1.1808 -1.1808 -1.0482 -1.0482 -0.3212 -0.3212 -0.0130 -0.0130 0.0169 0.0169 0.9131 0.9131 1.3133 1.3133 1.3256 1.3256 1.3840 1.3840 1.7837 1.7837 2.0938 2.0938 2.1883 2.1883 2.2636 2.2636 2.3100 2.3100 4.4003 4.4003 4.5547 4.5547 4.8974 4.8974 8.3704 8.3704 8.3731 8.3731 10.6663 10.6663 k = 0.2586 0.1350 0.0922 ( 8548 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.2053 -12.2053 -11.2401 -11.2401 -11.2388 -11.2388 -11.1621 -11.1621 -10.8905 -10.8905 -10.8059 -10.8059 -1.9921 -1.9921 -1.7231 -1.7231 -1.6688 -1.6688 -1.4282 -1.4282 -1.1934 -1.1934 -1.0618 -1.0618 -0.3307 -0.3307 -0.0240 -0.0240 0.0063 0.0063 0.9213 0.9213 1.3417 1.3417 1.3478 1.3478 1.4433 1.4433 1.7798 1.7798 2.0985 2.0985 2.1912 2.1912 2.2625 2.2625 2.3092 2.3092 4.3861 4.3861 4.5451 4.5451 4.8870 4.8870 8.3835 8.3835 8.3853 8.3853 10.5900 10.5900 k = 0.2414 0.1260 0.0861 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.2163 -12.2163 -11.2422 -11.2422 -11.2410 -11.2410 -11.1479 -11.1479 -10.8866 -10.8866 -10.8034 -10.8034 -2.0053 -2.0053 -1.7189 -1.7189 -1.6619 -1.6619 -1.4503 -1.4503 -1.2043 -1.2043 -1.0736 -1.0736 -0.3419 -0.3419 -0.0372 -0.0372 -0.0055 -0.0055 0.9299 0.9299 1.3688 1.3688 1.3723 1.3723 1.5028 1.5028 1.7786 1.7786 2.1034 2.1034 2.1940 2.1940 2.2601 2.2601 2.3073 2.3073 4.3710 4.3710 4.5354 4.5354 4.8764 4.8764 8.3968 8.3968 8.3977 8.3977 10.5149 10.5149 k = 0.2241 0.1170 0.0799 ( 8527 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2269 -12.2269 -11.2442 -11.2442 -11.2431 -11.2431 -11.1342 -11.1342 -10.8826 -10.8826 -10.8010 -10.8010 -2.0205 -2.0205 -1.7151 -1.7151 -1.6558 -1.6558 -1.4686 -1.4686 -1.2132 -1.2132 -1.0835 -1.0835 -0.3546 -0.3546 -0.0523 -0.0523 -0.0183 -0.0183 0.9388 0.9388 1.3966 1.3966 1.3989 1.3989 1.5569 1.5569 1.7826 1.7826 2.1086 2.1086 2.1966 2.1966 2.2564 2.2564 2.3044 2.3044 4.3552 4.3552 4.5255 4.5255 4.8656 4.8656 8.4103 8.4103 8.4103 8.4103 10.4421 10.4421 k = 0.2069 0.1080 0.0738 ( 8515 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.2371 -12.2371 -11.2462 -11.2462 -11.2452 -11.2452 -11.1211 -11.1211 -10.8786 -10.8786 -10.7985 -10.7985 -2.0372 -2.0372 -1.7118 -1.7118 -1.6506 -1.6506 -1.4832 -1.4832 -1.2201 -1.2201 -1.0913 -1.0913 -0.3687 -0.3687 -0.0689 -0.0689 -0.0319 -0.0319 0.9481 0.9481 1.4255 1.4255 1.4272 1.4272 1.5999 1.5999 1.7962 1.7962 2.1141 2.1141 2.1986 2.1986 2.2516 2.2516 2.3007 2.3007 4.3388 4.3388 4.5156 4.5156 4.8549 4.8549 8.4229 8.4229 8.4238 8.4238 10.3722 10.3722 k = 0.1897 0.0990 0.0676 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.2467 -12.2467 -11.2482 -11.2482 -11.2471 -11.2471 -11.1088 -11.1088 -10.8746 -10.8746 -10.7962 -10.7962 -2.0551 -2.0551 -1.7089 -1.7089 -1.6465 -1.6465 -1.4947 -1.4947 -1.2248 -1.2248 -1.0970 -1.0970 -0.3837 -0.3837 -0.0866 -0.0866 -0.0459 -0.0459 0.9578 0.9578 1.4552 1.4552 1.4568 1.4568 1.6270 1.6270 1.8231 1.8231 2.1198 2.1198 2.1998 2.1998 2.2456 2.2456 2.2963 2.2963 4.3220 4.3220 4.5058 4.5058 4.8442 4.8442 8.4353 8.4353 8.4370 8.4370 10.3059 10.3059 k = 0.1724 0.0900 0.0615 ( 8494 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.2558 -12.2558 -11.2500 -11.2500 -11.2490 -11.2490 -11.0972 -11.0972 -10.8707 -10.8707 -10.7940 -10.7940 -2.0736 -2.0736 -1.7063 -1.7063 -1.6435 -1.6435 -1.5034 -1.5034 -1.2274 -1.2274 -1.1005 -1.1005 -0.3994 -0.3994 -0.1051 -0.1051 -0.0600 -0.0600 0.9676 0.9676 1.4855 1.4855 1.4872 1.4872 1.6391 1.6391 1.8614 1.8614 2.1257 2.1257 2.1999 2.1999 2.2390 2.2390 2.2917 2.2917 4.3049 4.3049 4.4963 4.4963 4.8338 4.8338 8.4474 8.4474 8.4499 8.4499 10.2436 10.2436 k = 0.1552 0.0810 0.0553 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.2641 -12.2641 -11.2517 -11.2517 -11.2508 -11.2508 -11.0866 -11.0866 -10.8669 -10.8669 -10.7920 -10.7920 -2.0921 -2.0921 -1.7042 -1.7042 -1.6415 -1.6415 -1.5098 -1.5098 -1.2281 -1.2281 -1.1022 -1.1022 -0.4156 -0.4156 -0.1237 -0.1237 -0.0739 -0.0739 0.9775 0.9775 1.5160 1.5160 1.5179 1.5179 1.6414 1.6414 1.9051 1.9051 2.1317 2.1317 2.1985 2.1985 2.2321 2.2321 2.2872 2.2872 4.2878 4.2878 4.4872 4.4872 4.8238 4.8238 8.4591 8.4591 8.4622 8.4622 10.1859 10.1859 k = 0.1379 0.0720 0.0492 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2717 -12.2717 -11.2533 -11.2533 -11.2524 -11.2524 -11.0770 -11.0770 -10.8633 -10.8633 -10.7901 -10.7901 -2.1102 -2.1102 -1.7023 -1.7023 -1.6404 -1.6404 -1.5145 -1.5145 -1.2271 -1.2271 -1.1021 -1.1021 -0.4317 -0.4317 -0.1421 -0.1421 -0.0873 -0.0873 0.9873 0.9873 1.5462 1.5462 1.5483 1.5483 1.6385 1.6385 1.9485 1.9485 2.1375 2.1375 2.1953 2.1953 2.2259 2.2259 2.2834 2.2834 4.2711 4.2711 4.4786 4.4786 4.8144 4.8144 8.4700 8.4700 8.4737 8.4737 10.1333 10.1333 k = 0.1207 0.0630 0.0430 ( 8521 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2786 -12.2786 -11.2547 -11.2547 -11.2539 -11.2539 -11.0684 -11.0684 -10.8599 -10.8599 -10.7884 -10.7884 -2.1272 -2.1272 -1.7008 -1.7008 -1.6401 -1.6401 -1.5179 -1.5179 -1.2249 -1.2249 -1.1005 -1.1005 -0.4475 -0.4475 -0.1599 -0.1599 -0.0998 -0.0998 0.9968 0.9968 1.5755 1.5755 1.5780 1.5780 1.6330 1.6330 1.9881 1.9881 2.1420 2.1420 2.1902 2.1902 2.2223 2.2223 2.2804 2.2804 4.2549 4.2549 4.4707 4.4707 4.8056 4.8056 8.4802 8.4802 8.4844 8.4844 10.0860 10.0860 k = 0.1034 0.0540 0.0369 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2846 -12.2846 -11.2560 -11.2560 -11.2552 -11.2552 -11.0610 -11.0610 -10.8568 -10.8568 -10.7869 -10.7869 -2.1428 -2.1428 -1.6995 -1.6995 -1.6404 -1.6404 -1.5202 -1.5202 -1.2217 -1.2217 -1.0979 -1.0979 -0.4625 -0.4625 -0.1764 -0.1764 -0.1112 -0.1112 1.0057 1.0057 1.6031 1.6031 1.6062 1.6062 1.6267 1.6267 2.0215 2.0215 2.1438 2.1438 2.1834 2.1834 2.2233 2.2233 2.2784 2.2784 4.2398 4.2398 4.4635 4.4635 4.7977 4.7977 8.4894 8.4894 8.4940 8.4940 10.0443 10.0443 k = 0.0862 0.0450 0.0307 ( 8551 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2897 -12.2897 -11.2570 -11.2570 -11.2563 -11.2563 -11.0546 -11.0546 -10.8540 -10.8540 -10.7855 -10.7855 -2.1566 -2.1566 -1.6985 -1.6985 -1.6411 -1.6411 -1.5218 -1.5218 -1.2180 -1.2180 -1.0946 -1.0946 -0.4762 -0.4762 -0.1913 -0.1913 -0.1213 -0.1213 1.0139 1.0139 1.6186 1.6186 1.6304 1.6304 1.6322 1.6322 2.0476 2.0476 2.1416 2.1416 2.1755 2.1755 2.2303 2.2303 2.2773 2.2773 4.2261 4.2261 4.4573 4.4573 4.7908 4.7908 8.4974 8.4974 8.5025 8.5025 10.0086 10.0086 k = 0.0690 0.0360 0.0246 ( 8566 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.2940 -12.2940 -11.2579 -11.2579 -11.2572 -11.2572 -11.0494 -11.0494 -10.8517 -10.8517 -10.7845 -10.7845 -2.1683 -2.1683 -1.6978 -1.6978 -1.6419 -1.6419 -1.5228 -1.5228 -1.2142 -1.2142 -1.0910 -1.0910 -0.4882 -0.4882 -0.2042 -0.2042 -0.1299 -0.1299 1.0209 1.0209 1.6131 1.6131 1.6525 1.6525 1.6553 1.6553 2.0669 2.0669 2.1359 2.1359 2.1672 2.1672 2.2419 2.2419 2.2768 2.2768 4.2141 4.2141 4.4520 4.4520 4.7850 4.7850 8.5041 8.5041 8.5095 8.5095 9.9791 9.9791 k = 0.0517 0.0270 0.0184 ( 8566 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.2973 -12.2973 -11.2586 -11.2586 -11.2580 -11.2580 -11.0454 -11.0454 -10.8498 -10.8498 -10.7836 -10.7836 -2.1776 -2.1776 -1.6973 -1.6973 -1.6428 -1.6428 -1.5235 -1.5235 -1.2109 -1.2109 -1.0877 -1.0877 -0.4981 -0.4981 -0.2147 -0.2147 -0.1367 -0.1367 1.0267 1.0267 1.6079 1.6079 1.6715 1.6715 1.6745 1.6745 2.0808 2.0808 2.1284 2.1284 2.1594 2.1594 2.2548 2.2548 2.2767 2.2767 4.2044 4.2044 4.4477 4.4477 4.7803 4.7803 8.5095 8.5095 8.5151 8.5151 9.9560 9.9560 k = 0.0345 0.0180 0.0123 ( 8554 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2997 -12.2997 -11.2591 -11.2591 -11.2585 -11.2585 -11.0425 -11.0425 -10.8484 -10.8484 -10.7830 -10.7830 -2.1844 -2.1844 -1.6969 -1.6969 -1.6435 -1.6435 -1.5239 -1.5239 -1.2082 -1.2082 -1.0850 -1.0850 -0.5055 -0.5055 -0.2224 -0.2224 -0.1417 -0.1417 1.0311 1.0311 1.6039 1.6039 1.6859 1.6859 1.6891 1.6891 2.0909 2.0909 2.1206 2.1206 2.1530 2.1530 2.2661 2.2661 2.2768 2.2768 4.1971 4.1971 4.4447 4.4447 4.7770 4.7770 8.5134 8.5134 8.5192 8.5192 9.9393 9.9393 k = 0.0172 0.0090 0.0061 ( 8551 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3012 -12.3012 -11.2595 -11.2595 -11.2588 -11.2588 -11.0408 -11.0408 -10.8476 -10.8476 -10.7826 -10.7826 -2.1885 -2.1885 -1.6967 -1.6967 -1.6439 -1.6439 -1.5241 -1.5241 -1.2065 -1.2065 -1.0832 -1.0832 -0.5101 -0.5101 -0.2271 -0.2271 -0.1447 -0.1447 1.0337 1.0337 1.6014 1.6014 1.6950 1.6950 1.6982 1.6982 2.0986 2.0986 2.1133 2.1133 2.1487 2.1487 2.2736 2.2736 2.2769 2.2769 4.1926 4.1926 4.4428 4.4428 4.7749 4.7749 8.5158 8.5158 8.5217 8.5217 9.9293 9.9293 k = 0.0000 0.0000 0.0000 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3016 -12.3016 -11.2596 -11.2596 -11.2589 -11.2589 -11.0402 -11.0402 -10.8473 -10.8473 -10.7825 -10.7825 -2.1899 -2.1899 -1.6966 -1.6966 -1.6441 -1.6441 -1.5241 -1.5241 -1.2059 -1.2059 -1.0826 -1.0826 -0.5117 -0.5117 -0.2287 -0.2287 -0.1457 -0.1457 1.0346 1.0346 1.6005 1.6005 1.6981 1.6981 1.7013 1.7013 2.1038 2.1038 2.1081 2.1081 2.1473 2.1473 2.2762 2.2762 2.2769 2.2769 4.1911 4.1911 4.4422 4.4422 4.7742 4.7742 8.5166 8.5166 8.5225 8.5225 9.9260 9.9260 k = 0.0000 0.0000 0.0000 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3016 -12.3016 -11.2596 -11.2596 -11.2589 -11.2589 -11.0402 -11.0402 -10.8473 -10.8473 -10.7825 -10.7825 -2.1899 -2.1899 -1.6966 -1.6966 -1.6441 -1.6441 -1.5241 -1.5241 -1.2059 -1.2059 -1.0826 -1.0826 -0.5117 -0.5117 -0.2287 -0.2287 -0.1457 -0.1457 1.0346 1.0346 1.6005 1.6005 1.6981 1.6981 1.7013 1.7013 2.1038 2.1038 2.1081 2.1081 2.1473 2.1473 2.2762 2.2762 2.2769 2.2769 4.1911 4.1911 4.4422 4.4422 4.7742 4.7742 8.5166 8.5166 8.5225 8.5225 9.9260 9.9260 k = 0.0096-0.0067-0.0172 ( 8547 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.3012 -12.3012 -11.2596 -11.2596 -11.2590 -11.2590 -11.0402 -11.0402 -10.8475 -10.8475 -10.7828 -10.7828 -2.1894 -2.1894 -1.6964 -1.6964 -1.6441 -1.6441 -1.5237 -1.5237 -1.2065 -1.2065 -1.0834 -1.0834 -0.5107 -0.5107 -0.2278 -0.2278 -0.1450 -0.1450 1.0362 1.0362 1.5997 1.5997 1.6980 1.6980 1.7018 1.7018 2.0935 2.0935 2.1097 2.1097 2.1508 2.1508 2.2755 2.2755 2.2778 2.2778 4.1922 4.1922 4.4422 4.4422 4.7744 4.7744 8.5161 8.5161 8.5221 8.5221 9.9297 9.9297 k = 0.0193-0.0134-0.0344 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2999 -12.2999 -11.2598 -11.2598 -11.2592 -11.2592 -11.0402 -11.0402 -10.8482 -10.8482 -10.7838 -10.7838 -2.1879 -2.1879 -1.6960 -1.6960 -1.6441 -1.6441 -1.5226 -1.5226 -1.2084 -1.2084 -1.0857 -1.0857 -0.5078 -0.5078 -0.2251 -0.2251 -0.1426 -0.1426 1.0409 1.0409 1.5974 1.5974 1.6956 1.6956 1.7054 1.7054 2.0753 2.0753 2.1058 2.1058 2.1578 2.1578 2.2720 2.2720 2.2817 2.2817 4.1952 4.1952 4.4421 4.4421 4.7750 4.7750 8.5141 8.5141 8.5209 8.5209 9.9408 9.9408 k = 0.0289-0.0202-0.0516 ( 8543 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2977 -12.2977 -11.2602 -11.2602 -11.2595 -11.2595 -11.0401 -11.0401 -10.8492 -10.8492 -10.7854 -10.7854 -2.1855 -2.1855 -1.6953 -1.6953 -1.6441 -1.6441 -1.5207 -1.5207 -1.2114 -1.2114 -1.0893 -1.0893 -0.5032 -0.5032 -0.2208 -0.2208 -0.1384 -0.1384 1.0488 1.0488 1.5936 1.5936 1.6907 1.6907 1.7120 1.7120 2.0526 2.0526 2.0973 2.0973 2.1636 2.1636 2.2672 2.2672 2.2873 2.2873 4.2002 4.2002 4.4420 4.4420 4.7759 4.7759 8.5104 8.5104 8.5197 8.5197 9.9592 9.9592 k = 0.0386-0.0269-0.0689 ( 8541 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2946 -12.2946 -11.2606 -11.2606 -11.2600 -11.2600 -11.0401 -11.0401 -10.8508 -10.8508 -10.7876 -10.7876 -2.1821 -2.1821 -1.6946 -1.6946 -1.6439 -1.6439 -1.5181 -1.5181 -1.2154 -1.2154 -1.0940 -1.0940 -0.4972 -0.4972 -0.2154 -0.2154 -0.1322 -0.1322 1.0596 1.0596 1.5884 1.5884 1.6839 1.6839 1.7210 1.7210 2.0265 2.0265 2.0859 2.0859 2.1654 2.1654 2.2627 2.2627 2.2939 2.2939 4.2070 4.2070 4.4419 4.4419 4.7772 4.7772 8.5048 8.5048 8.5185 8.5185 9.9850 9.9850 k = 0.0482-0.0336-0.0861 ( 8529 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2907 -12.2907 -11.2613 -11.2613 -11.2605 -11.2605 -11.0402 -11.0402 -10.8528 -10.8528 -10.7903 -10.7903 -2.1778 -2.1778 -1.6940 -1.6940 -1.6435 -1.6435 -1.5148 -1.5148 -1.2201 -1.2201 -1.0994 -1.0994 -0.4902 -0.4902 -0.2093 -0.2093 -0.1236 -0.1236 1.0734 1.0734 1.5817 1.5817 1.6754 1.6754 1.7320 1.7320 1.9972 1.9972 2.0726 2.0726 2.1615 2.1615 2.2602 2.2602 2.3006 2.3006 4.2153 4.2153 4.4416 4.4416 4.7790 4.7790 8.4976 8.4976 8.5173 8.5173 10.0179 10.0179 k = 0.0579-0.0403-0.1033 ( 8519 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7251 -33.7251 -12.2859 -12.2859 -11.2621 -11.2621 -11.2610 -11.2610 -11.0403 -11.0403 -10.8552 -10.8552 -10.7935 -10.7935 -2.1726 -2.1726 -1.6939 -1.6939 -1.6427 -1.6427 -1.5109 -1.5109 -1.2252 -1.2252 -1.1052 -1.1052 -0.4823 -0.4823 -0.2029 -0.2029 -0.1123 -0.1123 1.0899 1.0899 1.5735 1.5735 1.6656 1.6656 1.7445 1.7445 1.9650 1.9650 2.0580 2.0580 2.1519 2.1519 2.2603 2.2603 2.3070 2.3070 4.2250 4.2250 4.4413 4.4413 4.7811 4.7811 8.4891 8.4891 8.5159 8.5159 10.0578 10.0578 k = 0.0675-0.0471-0.1205 ( 8531 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2804 -12.2804 -11.2632 -11.2632 -11.2616 -11.2616 -11.0405 -11.0405 -10.8581 -10.8581 -10.7972 -10.7972 -2.1665 -2.1665 -1.6944 -1.6944 -1.6414 -1.6414 -1.5065 -1.5065 -1.2306 -1.2306 -1.1108 -1.1108 -0.4741 -0.4741 -0.1967 -0.1967 -0.0983 -0.0983 1.1090 1.1090 1.5636 1.5636 1.6546 1.6546 1.7581 1.7581 1.9302 1.9302 2.0424 2.0424 2.1377 2.1377 2.2625 2.2625 2.3126 2.3126 4.2357 4.2357 4.4408 4.4408 4.7838 4.7838 8.4797 8.4797 8.5144 8.5144 10.1045 10.1045 k = 0.0772-0.0538-0.1377 ( 8529 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2740 -12.2740 -11.2643 -11.2643 -11.2622 -11.2622 -11.0409 -11.0409 -10.8614 -10.8614 -10.8012 -10.8012 -2.1596 -2.1596 -1.6957 -1.6957 -1.6397 -1.6397 -1.5016 -1.5016 -1.2360 -1.2360 -1.1158 -1.1158 -0.4656 -0.4656 -0.1908 -0.1908 -0.0816 -0.0816 1.1304 1.1304 1.5518 1.5518 1.6429 1.6429 1.7721 1.7721 1.8931 1.8931 2.0264 2.0264 2.1209 2.1209 2.2655 2.2655 2.3175 2.3175 4.2472 4.2472 4.4403 4.4403 4.7869 4.7869 8.4695 8.4695 8.5127 8.5127 10.1578 10.1578 k = 0.0868-0.0605-0.1549 ( 8531 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2669 -12.2669 -11.2656 -11.2656 -11.2629 -11.2629 -11.0415 -11.0415 -10.8653 -10.8653 -10.8054 -10.8054 -2.1519 -2.1519 -1.6978 -1.6978 -1.6377 -1.6377 -1.4962 -1.4962 -1.2413 -1.2413 -1.1196 -1.1196 -0.4572 -0.4572 -0.1854 -0.1854 -0.0626 -0.0626 1.1539 1.1539 1.5380 1.5380 1.6306 1.6306 1.7851 1.7851 1.8549 1.8549 2.0101 2.0101 2.1031 2.1031 2.2685 2.2685 2.3213 2.3213 4.2590 4.2590 4.4398 4.4398 4.7905 4.7905 8.4588 8.4588 8.5108 8.5108 10.2173 10.2173 k = 0.0965-0.0672-0.1722 ( 8525 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2592 -12.2592 -11.2671 -11.2671 -11.2635 -11.2635 -11.0423 -11.0423 -10.8695 -10.8695 -10.8098 -10.8098 -2.1433 -2.1433 -1.7007 -1.7007 -1.6356 -1.6356 -1.4905 -1.4905 -1.2465 -1.2465 -1.1218 -1.1218 -0.4489 -0.4489 -0.1805 -0.1805 -0.0419 -0.0419 1.1794 1.1794 1.5219 1.5219 1.6178 1.6178 1.7894 1.7894 1.8227 1.8227 1.9940 1.9940 2.0859 2.0859 2.2709 2.2709 2.3243 2.3243 4.2710 4.2710 4.4394 4.4394 4.7946 4.7946 8.4479 8.4479 8.5088 8.5088 10.2828 10.2828 k = 0.1061-0.0740-0.1894 ( 8523 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2507 -12.2507 -11.2687 -11.2687 -11.2641 -11.2641 -11.0435 -11.0435 -10.8742 -10.8742 -10.8143 -10.8143 -2.1341 -2.1341 -1.7042 -1.7042 -1.6337 -1.6337 -1.4842 -1.4842 -1.2517 -1.2517 -1.1217 -1.1217 -0.4408 -0.4408 -0.1758 -0.1758 -0.0198 -0.0198 1.2064 1.2064 1.5037 1.5037 1.6045 1.6045 1.7609 1.7609 1.8201 1.8201 1.9783 1.9783 2.0708 2.0708 2.2722 2.2722 2.3264 2.3264 4.2828 4.2828 4.4393 4.4393 4.7991 4.7991 8.4370 8.4370 8.5067 8.5067 10.3538 10.3538 k = 0.1158-0.0807-0.2066 ( 8525 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2416 -12.2416 -11.2704 -11.2704 -11.2647 -11.2647 -11.0450 -11.0450 -10.8793 -10.8793 -10.8188 -10.8188 -2.1241 -2.1241 -1.7081 -1.7081 -1.6324 -1.6324 -1.4774 -1.4774 -1.2569 -1.2569 -1.1191 -1.1191 -0.4331 -0.4331 -0.1715 -0.1715 0.0031 0.0031 1.2346 1.2346 1.4835 1.4835 1.5906 1.5906 1.7197 1.7197 1.8265 1.8265 1.9634 1.9634 2.0592 2.0592 2.2722 2.2722 2.3279 2.3279 4.2939 4.2939 4.4397 4.4397 4.8040 4.8040 8.4262 8.4262 8.5044 8.5044 10.4298 10.4298 k = 0.1254-0.0874-0.2238 ( 8529 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2320 -12.2320 -11.2722 -11.2722 -11.2652 -11.2652 -11.0469 -11.0469 -10.8847 -10.8847 -10.8233 -10.8233 -2.1135 -2.1135 -1.7125 -1.7125 -1.6317 -1.6317 -1.4698 -1.4698 -1.2622 -1.2622 -1.1136 -1.1136 -0.4258 -0.4258 -0.1674 -0.1674 0.0261 0.0261 1.2637 1.2637 1.4615 1.4615 1.5756 1.5756 1.6774 1.6774 1.8297 1.8297 1.9495 1.9495 2.0525 2.0525 2.2707 2.2707 2.3288 2.3288 4.3040 4.3040 4.4410 4.4410 4.8093 4.8093 8.4158 8.4158 8.5019 8.5019 10.5105 10.5105 k = 0.1351-0.0941-0.2410 ( 8527 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.2219 -12.2219 -11.2742 -11.2742 -11.2656 -11.2656 -11.0492 -11.0492 -10.8903 -10.8903 -10.8277 -10.8277 -2.1022 -2.1022 -1.7171 -1.7171 -1.6321 -1.6321 -1.4613 -1.4613 -1.2677 -1.2677 -1.1054 -1.1054 -0.4190 -0.4190 -0.1636 -0.1636 0.0490 0.0490 1.2930 1.2930 1.4381 1.4381 1.5588 1.5588 1.6364 1.6364 1.8275 1.8275 1.9368 1.9368 2.0518 2.0518 2.2678 2.2678 2.3291 2.3291 4.3127 4.3127 4.4434 4.4434 4.8149 4.8149 8.4058 8.4058 8.4994 8.4994 10.5953 10.5953 k = 0.1447-0.1008-0.2582 ( 8523 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2113 -12.2113 -11.2762 -11.2762 -11.2660 -11.2660 -11.0521 -11.0521 -10.8961 -10.8961 -10.8321 -10.8321 -2.0904 -2.0904 -1.7219 -1.7219 -1.6334 -1.6334 -1.4517 -1.4517 -1.2731 -1.2731 -1.0946 -1.0946 -0.4129 -0.4129 -0.1598 -0.1598 0.0713 0.0713 1.3217 1.3217 1.4141 1.4141 1.5389 1.5389 1.5991 1.5991 1.8200 1.8200 1.9249 1.9249 2.0570 2.0570 2.2637 2.2637 2.3290 2.3290 4.3197 4.3197 4.4472 4.4472 4.8207 4.8207 8.3964 8.3964 8.4968 8.4968 10.6836 10.6836 k = 0.1544-0.1076-0.2755 ( 8522 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.2003 -12.2003 -11.2784 -11.2784 -11.2663 -11.2663 -11.0553 -11.0553 -10.9020 -10.9020 -10.8364 -10.8364 -2.0781 -2.0781 -1.7266 -1.7266 -1.6357 -1.6357 -1.4410 -1.4410 -1.2781 -1.2781 -1.0817 -1.0817 -0.4076 -0.4076 -0.1562 -0.1562 0.0927 0.0927 1.3460 1.3460 1.3927 1.3927 1.5145 1.5145 1.5678 1.5678 1.8081 1.8081 1.9139 1.9139 2.0668 2.0668 2.2586 2.2586 2.3285 2.3285 4.3250 4.3250 4.4527 4.4527 4.8267 4.8267 8.3877 8.3877 8.4942 8.4942 10.7746 10.7746 k = 0.1640-0.1143-0.2927 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1891 -12.1891 -11.2807 -11.2807 -11.2664 -11.2664 -11.0591 -11.0591 -10.9079 -10.9079 -10.8406 -10.8406 -2.0653 -2.0653 -1.7314 -1.7314 -1.6390 -1.6390 -1.4292 -1.4292 -1.2826 -1.2826 -1.0673 -1.0673 -0.4031 -0.4031 -0.1524 -0.1524 0.1127 0.1127 1.3471 1.3471 1.3917 1.3917 1.4868 1.4868 1.5428 1.5428 1.7930 1.7930 1.9038 1.9038 2.0797 2.0797 2.2531 2.2531 2.3274 2.3274 4.3284 4.3284 4.4597 4.4597 4.8327 4.8327 8.3795 8.3795 8.4916 8.4916 10.8677 10.8677 k = 0.1737-0.1210-0.3099 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1776 -12.1776 -11.2830 -11.2830 -11.2665 -11.2665 -11.0632 -11.0632 -10.9138 -10.9138 -10.8447 -10.8447 -2.0521 -2.0521 -1.7360 -1.7360 -1.6431 -1.6431 -1.4164 -1.4164 -1.2862 -1.2862 -1.0521 -1.0521 -0.3998 -0.3998 -0.1484 -0.1484 0.1312 0.1312 1.3252 1.3252 1.4057 1.4057 1.4635 1.4635 1.5219 1.5219 1.7759 1.7759 1.8948 1.8948 2.0939 2.0939 2.2475 2.2475 2.3261 2.3261 4.3304 4.3304 4.4681 4.4681 4.8388 4.8388 8.3720 8.3720 8.4891 8.4891 10.9618 10.9618 k = 0.1833-0.1277-0.3271 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1659 -12.1659 -11.2854 -11.2854 -11.2665 -11.2665 -11.0678 -11.0678 -10.9195 -10.9195 -10.8486 -10.8486 -2.0386 -2.0386 -1.7404 -1.7404 -1.6478 -1.6478 -1.4028 -1.4028 -1.2886 -1.2886 -1.0366 -1.0366 -0.3976 -0.3976 -0.1440 -0.1440 0.1480 0.1480 1.2999 1.2999 1.3989 1.3989 1.4622 1.4622 1.5037 1.5037 1.7578 1.7578 1.8868 1.8868 2.1079 2.1079 2.2428 2.2428 2.3244 2.3244 4.3312 4.3312 4.4775 4.4775 4.8447 4.8447 8.3650 8.3650 8.4866 8.4866 11.0555 11.0555 k = 0.1930-0.1345-0.3443 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1542 -12.1542 -11.2879 -11.2879 -11.2664 -11.2664 -11.0726 -11.0726 -10.9251 -10.9251 -10.8525 -10.8525 -2.0249 -2.0249 -1.7447 -1.7447 -1.6529 -1.6529 -1.3885 -1.3885 -1.2894 -1.2894 -1.0216 -1.0216 -0.3967 -0.3967 -0.1389 -0.1389 0.1629 0.1629 1.2751 1.2751 1.3744 1.3744 1.4686 1.4686 1.4958 1.4958 1.7395 1.7395 1.8800 1.8800 2.1202 2.1202 2.2395 2.2395 2.3227 2.3227 4.3312 4.3312 4.4878 4.4878 4.8505 4.8505 8.3584 8.3584 8.4842 8.4842 11.1467 11.1467 k = 0.2026-0.1412-0.3615 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1424 -12.1424 -11.2904 -11.2904 -11.2663 -11.2663 -11.0776 -11.0776 -10.9306 -10.9306 -10.8563 -10.8563 -2.0109 -2.0109 -1.7487 -1.7487 -1.6582 -1.6582 -1.3739 -1.3739 -1.2882 -1.2882 -1.0079 -1.0079 -0.3969 -0.3969 -0.1330 -0.1330 0.1758 0.1758 1.2520 1.2520 1.3469 1.3469 1.4552 1.4552 1.5093 1.5093 1.7221 1.7221 1.8742 1.8742 2.1296 2.1296 2.2386 2.2386 2.3212 2.3212 4.3309 4.3309 4.4985 4.4985 4.8560 4.8560 8.3523 8.3523 8.4821 8.4821 11.2307 11.2307 k = 0.2123-0.1479-0.3788 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1308 -12.1308 -11.2929 -11.2929 -11.2660 -11.2660 -11.0828 -11.0828 -10.9358 -10.9358 -10.8600 -10.8600 -1.9969 -1.9969 -1.7526 -1.7526 -1.6635 -1.6635 -1.3594 -1.3594 -1.2846 -1.2846 -0.9962 -0.9962 -0.3980 -0.3980 -0.1260 -0.1260 0.1867 0.1867 1.2313 1.2313 1.3199 1.3199 1.4358 1.4358 1.5252 1.5252 1.7069 1.7069 1.8693 1.8693 2.1351 2.1351 2.2401 2.2401 2.3204 2.3204 4.3305 4.3305 4.5094 4.5094 4.8613 4.8613 8.3463 8.3463 8.4803 8.4803 11.2898 11.2899 k = 0.2219-0.1546-0.3960 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1193 -12.1193 -11.2954 -11.2954 -11.2658 -11.2658 -11.0880 -11.0880 -10.9409 -10.9409 -10.8636 -10.8636 -1.9830 -1.9830 -1.7562 -1.7562 -1.6685 -1.6685 -1.3454 -1.3454 -1.2783 -1.2783 -0.9873 -0.9873 -0.3997 -0.3997 -0.1179 -0.1179 0.1954 0.1954 1.2133 1.2133 1.2942 1.2942 1.4150 1.4150 1.5363 1.5363 1.6957 1.6957 1.8653 1.8653 2.1371 2.1371 2.2434 2.2434 2.3210 2.3210 4.3304 4.3304 4.5203 4.5203 4.8664 4.8664 8.3404 8.3404 8.4787 8.4787 11.2983 11.2983 k = 0.2316-0.1614-0.4132 ( 8506 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.1081 -12.1081 -11.2979 -11.2979 -11.2655 -11.2655 -11.0930 -11.0930 -10.9459 -10.9459 -10.8671 -10.8671 -1.9693 -1.9693 -1.7596 -1.7596 -1.6731 -1.6731 -1.3323 -1.3323 -1.2689 -1.2689 -0.9817 -0.9817 -0.4013 -0.4013 -0.1087 -0.1087 0.2021 0.2021 1.1983 1.1983 1.2702 1.2702 1.3935 1.3935 1.5396 1.5396 1.6903 1.6903 1.8619 1.8619 2.1363 2.1363 2.2471 2.2471 2.3234 2.3234 4.3305 4.3305 4.5310 4.5310 4.8711 4.8711 8.3345 8.3345 8.4775 8.4775 11.2921 11.2921 k = 0.2412-0.1681-0.4304 ( 8504 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0973 -12.0973 -11.3003 -11.3003 -11.2651 -11.2651 -11.0979 -11.0979 -10.9506 -10.9506 -10.8706 -10.8706 -1.9561 -1.9561 -1.7628 -1.7628 -1.6771 -1.6771 -1.3200 -1.3200 -1.2566 -1.2566 -0.9800 -0.9800 -0.4024 -0.4024 -0.0984 -0.0984 0.2066 0.2066 1.1859 1.1859 1.2483 1.2483 1.3716 1.3716 1.5344 1.5344 1.6912 1.6912 1.8590 1.8590 2.1336 2.1336 2.2498 2.2498 2.3281 2.3281 4.3313 4.3313 4.5412 4.5412 4.8756 4.8756 8.3283 8.3283 8.4766 8.4766 11.2862 11.2862 k = 0.2509-0.1748-0.4476 ( 8514 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0868 -12.0868 -11.3026 -11.3026 -11.2648 -11.2648 -11.1024 -11.1024 -10.9552 -10.9552 -10.8740 -10.8740 -1.9437 -1.9437 -1.7656 -1.7656 -1.6804 -1.6804 -1.3083 -1.3083 -1.2420 -1.2420 -0.9823 -0.9823 -0.4023 -0.4023 -0.0873 -0.0873 0.2091 0.2091 1.1750 1.1750 1.2293 1.2293 1.3500 1.3500 1.5221 1.5221 1.6967 1.6967 1.8565 1.8565 2.1300 2.1300 2.2511 2.2511 2.3349 2.3349 4.3325 4.3325 4.5508 4.5508 4.8800 4.8800 8.3219 8.3219 8.4760 8.4760 11.2826 11.2826 k = 0.2605-0.1815-0.4648 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0769 -12.0769 -11.3047 -11.3047 -11.2645 -11.2645 -11.1067 -11.1067 -10.9595 -10.9595 -10.8774 -10.8774 -1.9324 -1.9324 -1.7678 -1.7678 -1.6828 -1.6828 -1.2966 -1.2966 -1.2258 -1.2258 -0.9885 -0.9885 -0.4008 -0.4008 -0.0755 -0.0755 0.2097 0.2097 1.1640 1.1640 1.2139 1.2139 1.3296 1.3296 1.5050 1.5050 1.7044 1.7044 1.8542 1.8542 2.1258 2.1258 2.2512 2.2512 2.3429 2.3429 4.3345 4.3345 4.5597 4.5597 4.8842 4.8842 8.3151 8.3151 8.4758 8.4758 11.2816 11.2816 k = 0.2702-0.1882-0.4821 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0675 -12.0675 -11.3067 -11.3067 -11.2642 -11.2642 -11.1105 -11.1105 -10.9637 -10.9637 -10.8807 -10.8807 -1.9225 -1.9225 -1.7692 -1.7692 -1.6844 -1.6844 -1.2844 -1.2844 -1.2090 -1.2090 -0.9979 -0.9979 -0.3977 -0.3977 -0.0632 -0.0632 0.2085 0.2085 1.1512 1.1512 1.2021 1.2021 1.3118 1.3118 1.4851 1.4851 1.7124 1.7124 1.8522 1.8522 2.1214 2.1214 2.2506 2.2506 2.3517 2.3517 4.3370 4.3370 4.5677 4.5677 4.8885 4.8885 8.3079 8.3079 8.4757 8.4757 11.2832 11.2832 k = 0.2798-0.1950-0.4993 ( 8504 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0588 -12.0588 -11.3084 -11.3084 -11.2639 -11.2639 -11.1140 -11.1140 -10.9676 -10.9676 -10.8840 -10.8840 -1.9146 -1.9146 -1.7692 -1.7692 -1.6854 -1.6854 -1.2715 -1.2715 -1.1927 -1.1927 -1.0095 -1.0095 -0.3929 -0.3929 -0.0507 -0.0507 0.2056 0.2056 1.1363 1.1363 1.1918 1.1918 1.2990 1.2990 1.4639 1.4639 1.7194 1.7194 1.8505 1.8505 2.1168 2.1168 2.2496 2.2496 2.3603 2.3603 4.3401 4.3401 4.5746 4.5746 4.8929 4.8929 8.3002 8.3002 8.4758 8.4758 11.2868 11.2868 k = 0.2895-0.2017-0.5165 ( 8508 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0508 -12.0508 -11.3099 -11.3099 -11.2637 -11.2637 -11.1170 -11.1170 -10.9712 -10.9712 -10.8872 -10.8872 -1.9091 -1.9091 -1.7676 -1.7676 -1.6858 -1.6858 -1.2579 -1.2579 -1.1780 -1.1780 -1.0214 -1.0214 -0.3867 -0.3867 -0.0384 -0.0384 0.2012 0.2012 1.1200 1.1200 1.1795 1.1795 1.2936 1.2936 1.4423 1.4423 1.7248 1.7248 1.8490 1.8490 2.1122 2.1122 2.2486 2.2486 2.3686 2.3686 4.3435 4.3435 4.5804 4.5804 4.8976 4.8976 8.2922 8.2922 8.4758 8.4758 11.2915 11.2915 k = 0.2991-0.2084-0.5337 ( 8502 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0434 -12.0434 -11.3111 -11.3111 -11.2634 -11.2634 -11.1197 -11.1197 -10.9746 -10.9746 -10.8904 -10.8904 -1.9061 -1.9061 -1.7642 -1.7642 -1.6861 -1.6861 -1.2435 -1.2435 -1.1667 -1.1667 -1.0310 -1.0310 -0.3795 -0.3795 -0.0264 -0.0264 0.1956 0.1956 1.1026 1.1026 1.1639 1.1639 1.2958 1.2958 1.4215 1.4215 1.7280 1.7280 1.8479 1.8479 2.1074 2.1074 2.2478 2.2478 2.3761 2.3761 4.3472 4.3472 4.5849 4.5849 4.9026 4.9026 8.2838 8.2838 8.4758 8.4758 11.2958 11.2958 k = 0.3087-0.2151-0.5509 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0369 -12.0369 -11.3121 -11.3121 -11.2631 -11.2631 -11.1221 -11.1221 -10.9776 -10.9776 -10.8935 -10.8935 -1.9055 -1.9055 -1.7591 -1.7591 -1.6865 -1.6865 -1.2287 -1.2287 -1.1607 -1.1607 -1.0351 -1.0351 -0.3715 -0.3715 -0.0152 -0.0152 0.1889 0.1889 1.0840 1.0840 1.1459 1.1459 1.3026 1.3026 1.4037 1.4037 1.7291 1.7291 1.8473 1.8473 2.1025 2.1025 2.2471 2.2471 2.3827 2.3827 4.3510 4.3510 4.5881 4.5881 4.9083 4.9083 8.2750 8.2750 8.4756 8.4756 11.2997 11.2997 k = 0.3184-0.2219-0.5681 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0310 -12.0310 -11.3127 -11.3127 -11.2627 -11.2627 -11.1244 -11.1244 -10.9803 -10.9803 -10.8965 -10.8965 -1.9072 -1.9072 -1.7526 -1.7526 -1.6875 -1.6875 -1.2145 -1.2145 -1.1602 -1.1602 -1.0319 -1.0319 -0.3632 -0.3632 -0.0052 -0.0052 0.1817 0.1817 1.0638 1.0638 1.1278 1.1278 1.3082 1.3082 1.3933 1.3933 1.7280 1.7280 1.8472 1.8472 2.0975 2.0975 2.2465 2.2465 2.3884 2.3884 4.3544 4.3544 4.5901 4.5901 4.9145 4.9145 8.2660 8.2660 8.4750 8.4750 11.3054 11.3054 k = 0.3280-0.2286-0.5854 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0260 -12.0260 -11.3130 -11.3130 -11.2621 -11.2621 -11.1265 -11.1265 -10.9826 -10.9826 -10.8995 -10.8995 -1.9107 -1.9107 -1.7451 -1.7451 -1.6894 -1.6894 -1.2037 -1.2037 -1.1607 -1.1607 -1.0219 -1.0219 -0.3549 -0.3549 0.0033 0.0033 0.1743 0.1743 1.0416 1.0416 1.1111 1.1111 1.3050 1.3050 1.3962 1.3962 1.7250 1.7250 1.8476 1.8476 2.0924 2.0924 2.2458 2.2458 2.3932 2.3932 4.3574 4.3574 4.5911 4.5911 4.9214 4.9214 8.2569 8.2569 8.4741 8.4741 11.3147 11.3147 k = 0.3377-0.2353-0.6026 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0216 -12.0216 -11.3130 -11.3130 -11.2614 -11.2614 -11.1285 -11.1285 -10.9845 -10.9845 -10.9023 -10.9023 -1.9156 -1.9156 -1.7375 -1.7375 -1.6923 -1.6923 -1.2010 -1.2010 -1.1545 -1.1545 -1.0074 -1.0074 -0.3469 -0.3469 0.0098 0.0098 0.1672 0.1672 1.0176 1.0176 1.0964 1.0964 1.2924 1.2924 1.4123 1.4123 1.7203 1.7203 1.8487 1.8487 2.0871 2.0871 2.2449 2.2449 2.3972 2.3972 4.3594 4.3594 4.5911 4.5911 4.9290 4.9290 8.2477 8.2477 8.4727 8.4727 11.3283 11.3283 k = 0.3473-0.2420-0.6198 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0180 -12.0180 -11.3128 -11.3128 -11.2605 -11.2605 -11.1306 -11.1306 -10.9861 -10.9861 -10.9050 -10.9050 -1.9214 -1.9214 -1.7307 -1.7307 -1.6959 -1.6959 -1.2052 -1.2052 -1.1405 -1.1405 -0.9903 -0.9903 -0.3395 -0.3395 0.0138 0.0138 0.1608 0.1608 0.9922 0.9922 1.0839 1.0839 1.2751 1.2751 1.4360 1.4360 1.7145 1.7145 1.8504 1.8504 2.0816 2.0816 2.2436 2.2436 2.4003 2.4003 4.3603 4.3603 4.5906 4.5906 4.9372 4.9372 8.2385 8.2385 8.4709 8.4709 11.3464 11.3464 k = 0.3570-0.2487-0.6370 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0151 -12.0151 -11.3124 -11.3124 -11.2593 -11.2593 -11.1329 -11.1329 -10.9872 -10.9872 -10.9075 -10.9075 -1.9279 -1.9279 -1.7272 -1.7272 -1.6982 -1.6982 -1.2105 -1.2105 -1.1228 -1.1228 -0.9719 -0.9719 -0.3330 -0.3330 0.0148 0.0148 0.1558 0.1558 0.9663 0.9663 1.0729 1.0729 1.2564 1.2564 1.4635 1.4635 1.7081 1.7081 1.8526 1.8526 2.0758 2.0758 2.2418 2.2418 2.4028 2.4028 4.3597 4.3597 4.5898 4.5898 4.9460 4.9460 8.2293 8.2293 8.4686 8.4686 11.3690 11.3690 k = 0.3666-0.2555-0.6542 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0128 -12.0128 -11.3118 -11.3118 -11.2577 -11.2577 -11.1354 -11.1354 -10.9881 -10.9881 -10.9098 -10.9098 -1.9349 -1.9349 -1.7303 -1.7303 -1.6963 -1.6963 -1.2141 -1.2141 -1.1036 -1.1036 -0.9528 -0.9528 -0.3275 -0.3275 0.0128 0.0128 0.1524 0.1524 0.9403 0.9403 1.0633 1.0633 1.2377 1.2377 1.4925 1.4925 1.7019 1.7019 1.8554 1.8554 2.0698 2.0698 2.2394 2.2394 2.4047 2.4047 4.3573 4.3573 4.5890 4.5890 4.9551 4.9551 8.2204 8.2204 8.4659 8.4659 11.3960 11.3960 k = 0.6334 0.0055-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0128 -12.0128 -11.3119 -11.3119 -11.2577 -11.2577 -11.1354 -11.1354 -10.9881 -10.9881 -10.9098 -10.9098 -1.9349 -1.9349 -1.7303 -1.7303 -1.6963 -1.6963 -1.2141 -1.2141 -1.1036 -1.1036 -0.9528 -0.9528 -0.3275 -0.3275 0.0128 0.0128 0.1524 0.1524 0.9403 0.9403 1.0633 1.0633 1.2377 1.2377 1.4925 1.4925 1.7019 1.7019 1.8554 1.8554 2.0698 2.0698 2.2394 2.2394 2.4047 2.4047 4.3573 4.3573 4.5890 4.5890 4.9551 4.9551 8.2204 8.2204 8.4659 8.4659 11.3960 11.3960 k = 0.6238 0.0238-0.4759 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0111 -12.0111 -11.3112 -11.3112 -11.2558 -11.2558 -11.1381 -11.1381 -10.9886 -10.9886 -10.9118 -10.9118 -1.9421 -1.9421 -1.7393 -1.7393 -1.6906 -1.6906 -1.2150 -1.2150 -1.0839 -1.0839 -0.9338 -0.9338 -0.3232 -0.3232 0.0078 0.0078 0.1507 0.1507 0.9152 0.9152 1.0546 1.0546 1.2201 1.2201 1.5207 1.5207 1.6969 1.6969 1.8588 1.8588 2.0635 2.0635 2.2364 2.2364 2.4061 2.4061 4.3532 4.3532 4.5885 4.5885 4.9644 4.9644 8.2118 8.2118 8.4629 8.4629 11.4266 11.4266 k = 0.6143 0.0420-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0098 -12.0098 -11.3105 -11.3105 -11.2535 -11.2535 -11.1411 -11.1411 -10.9889 -10.9889 -10.9136 -10.9136 -1.9495 -1.9495 -1.7514 -1.7514 -1.6836 -1.6836 -1.2131 -1.2131 -1.0639 -1.0639 -0.9150 -0.9150 -0.3202 -0.3202 0.0003 0.0003 0.1503 0.1503 0.8911 0.8911 1.0464 1.0464 1.2038 1.2038 1.5467 1.5467 1.6944 1.6944 1.8628 1.8628 2.0569 2.0569 2.2329 2.2329 2.4071 2.4071 4.3472 4.3472 4.5885 4.5885 4.9739 4.9739 8.2036 8.2036 8.4595 8.4595 11.4608 11.4608 k = 0.6048 0.0603-0.4759 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0090 -12.0090 -11.3098 -11.3098 -11.2508 -11.2508 -11.1444 -11.1444 -10.9891 -10.9891 -10.9150 -10.9150 -1.9569 -1.9569 -1.7653 -1.7653 -1.6762 -1.6762 -1.2086 -1.2086 -1.0441 -1.0441 -0.8964 -0.8964 -0.3185 -0.3185 -0.0091 -0.0091 0.1509 0.1509 0.8681 0.8681 1.0385 1.0385 1.1892 1.1892 1.5681 1.5681 1.6964 1.6964 1.8674 1.8674 2.0499 2.0499 2.2287 2.2287 2.4079 2.4079 4.3396 4.3396 4.5889 4.5889 4.9833 4.9833 8.1957 8.1957 8.4560 8.4560 11.4981 11.4981 k = 0.5953 0.0785-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0085 -12.0085 -11.3091 -11.3091 -11.2476 -11.2476 -11.1480 -11.1480 -10.9891 -10.9891 -10.9162 -10.9162 -1.9643 -1.9643 -1.7798 -1.7798 -1.6691 -1.6691 -1.2021 -1.2021 -1.0246 -1.0246 -0.8784 -0.8784 -0.3182 -0.3182 -0.0198 -0.0198 0.1522 0.1522 0.8465 0.8465 1.0308 1.0308 1.1765 1.1765 1.5827 1.5827 1.7046 1.7046 1.8726 1.8726 2.0426 2.0426 2.2241 2.2241 2.4084 2.4084 4.3306 4.3306 4.5899 4.5899 4.9925 4.9925 8.1883 8.1883 8.4524 8.4524 11.5374 11.5374 k = 0.5857 0.0968-0.4759 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0083 -12.0083 -11.3085 -11.3085 -11.2440 -11.2440 -11.1519 -11.1519 -10.9892 -10.9892 -10.9170 -10.9170 -1.9716 -1.9716 -1.7944 -1.7944 -1.6623 -1.6623 -1.1940 -1.1940 -1.0057 -1.0057 -0.8610 -0.8610 -0.3192 -0.3192 -0.0311 -0.0311 0.1537 0.1537 0.8265 0.8265 1.0232 1.0232 1.1657 1.1657 1.5900 1.5900 1.7191 1.7191 1.8786 1.8786 2.0351 2.0351 2.2192 2.2192 2.4087 2.4087 4.3205 4.3205 4.5913 4.5913 5.0013 5.0013 8.1814 8.1814 8.4488 8.4488 11.5739 11.5739 k = 0.5762 0.1150-0.4759 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0083 -12.0083 -11.3079 -11.3079 -11.2401 -11.2401 -11.1560 -11.1560 -10.9892 -10.9892 -10.9176 -10.9176 -1.9786 -1.9786 -1.8084 -1.8084 -1.6560 -1.6560 -1.1849 -1.1849 -0.9877 -0.9877 -0.8444 -0.8444 -0.3214 -0.3214 -0.0426 -0.0426 0.1553 0.1553 0.8083 0.8083 1.0157 1.0157 1.1568 1.1568 1.5918 1.5918 1.7377 1.7377 1.8854 1.8854 2.0272 2.0272 2.2141 2.2141 2.4089 2.4089 4.3099 4.3099 4.5930 4.5930 5.0097 5.0097 8.1751 8.1751 8.4452 8.4452 11.5954 11.5954 k = 0.5667 0.1333-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0085 -12.0085 -11.3075 -11.3075 -11.2358 -11.2358 -11.1604 -11.1604 -10.9893 -10.9893 -10.9179 -10.9179 -1.9854 -1.9854 -1.8214 -1.8214 -1.6502 -1.6502 -1.1754 -1.1754 -0.9708 -0.9708 -0.8289 -0.8289 -0.3247 -0.3247 -0.0537 -0.0537 0.1568 0.1568 0.7920 0.7920 1.0085 1.0085 1.1498 1.1498 1.5905 1.5905 1.7576 1.7576 1.8929 1.8929 2.0192 2.0192 2.2091 2.2091 2.4090 2.4090 4.2991 4.2991 4.5949 4.5949 5.0174 5.0174 8.1694 8.1694 8.4419 8.4419 11.6090 11.6090 k = 0.5572 0.1515-0.4759 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0088 -12.0088 -11.3071 -11.3071 -11.2312 -11.2312 -11.1650 -11.1650 -10.9895 -10.9895 -10.9179 -10.9179 -1.9918 -1.9918 -1.8330 -1.8330 -1.6452 -1.6452 -1.1661 -1.1661 -0.9554 -0.9554 -0.8146 -0.8146 -0.3288 -0.3288 -0.0641 -0.0641 0.1581 0.1581 0.7775 0.7775 1.0018 1.0018 1.1443 1.1443 1.5877 1.5877 1.7767 1.7767 1.9013 1.9013 2.0109 2.0109 2.2042 2.2042 2.4091 2.4091 4.2886 4.2886 4.5967 4.5967 5.0244 5.0244 8.1643 8.1643 8.4388 8.4388 11.6177 11.6177 k = 0.5476 0.1698-0.4759 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0091 -12.0091 -11.3068 -11.3068 -11.2264 -11.2264 -11.1698 -11.1698 -10.9896 -10.9896 -10.9179 -10.9179 -1.9975 -1.9975 -1.8430 -1.8430 -1.6408 -1.6408 -1.1574 -1.1574 -0.9417 -0.9417 -0.8018 -0.8018 -0.3335 -0.3335 -0.0734 -0.0734 0.1592 0.1592 0.7652 0.7652 0.9957 0.9957 1.1402 1.1402 1.5845 1.5845 1.7937 1.7937 1.9105 1.9105 2.0026 2.0026 2.1998 2.1998 2.4090 2.4090 4.2789 4.2789 4.5985 4.5985 5.0304 5.0304 8.1600 8.1600 8.4361 8.4361 11.6225 11.6225 k = 0.5381 0.1880-0.4759 ( 8516 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0095 -12.0095 -11.3065 -11.3065 -11.2215 -11.2215 -11.1746 -11.1746 -10.9898 -10.9898 -10.9177 -10.9177 -2.0026 -2.0026 -1.8513 -1.8513 -1.6372 -1.6372 -1.1497 -1.1497 -0.9299 -0.9299 -0.7908 -0.7908 -0.3382 -0.3382 -0.0813 -0.0813 0.1600 0.1600 0.7550 0.7550 0.9906 0.9906 1.1371 1.1371 1.5814 1.5814 1.8079 1.8079 1.9202 1.9202 1.9942 1.9942 2.1958 2.1958 2.4090 2.4090 4.2703 4.2703 4.6001 4.6001 5.0355 5.0355 8.1564 8.1564 8.4337 8.4337 11.6248 11.6248 k = 0.5286 0.2063-0.4759 ( 8522 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0098 -12.0098 -11.3063 -11.3063 -11.2166 -11.2166 -11.1795 -11.1795 -10.9900 -10.9900 -10.9175 -10.9175 -2.0067 -2.0067 -1.8578 -1.8578 -1.6343 -1.6343 -1.1433 -1.1433 -0.9205 -0.9205 -0.7818 -0.7818 -0.3425 -0.3425 -0.0877 -0.0877 0.1606 0.1606 0.7469 0.7469 0.9864 0.9864 1.1350 1.1350 1.5787 1.5787 1.8190 1.8190 1.9303 1.9303 1.9857 1.9857 2.1926 2.1926 2.4090 2.4090 4.2632 4.2632 4.6014 4.6014 5.0396 5.0396 8.1535 8.1535 8.4319 8.4319 11.6254 11.6254 k = 0.5191 0.2245-0.4759 ( 8536 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0100 -12.0100 -11.3062 -11.3062 -11.2120 -11.2120 -11.1840 -11.1840 -10.9902 -10.9902 -10.9173 -10.9173 -2.0098 -2.0098 -1.8624 -1.8624 -1.6323 -1.6323 -1.1386 -1.1386 -0.9135 -0.9135 -0.7752 -0.7752 -0.3460 -0.3460 -0.0923 -0.0923 0.1611 0.1611 0.7411 0.7411 0.9833 0.9833 1.1336 1.1336 1.5767 1.5767 1.8269 1.8269 1.9403 1.9403 1.9771 1.9771 2.1902 2.1902 2.4089 2.4089 4.2580 4.2580 4.6024 4.6024 5.0425 5.0425 8.1515 8.1515 8.4305 8.4305 11.6252 11.6252 k = 0.5095 0.2428-0.4759 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0101 -12.0101 -11.3062 -11.3062 -11.2082 -11.2082 -11.1878 -11.1878 -10.9902 -10.9902 -10.9172 -10.9172 -2.0117 -2.0117 -1.8652 -1.8652 -1.6311 -1.6311 -1.1357 -1.1357 -0.9093 -0.9093 -0.7710 -0.7710 -0.3483 -0.3483 -0.0952 -0.0952 0.1613 0.1613 0.7376 0.7376 0.9815 0.9815 1.1328 1.1328 1.5755 1.5755 1.8316 1.8316 1.9500 1.9500 1.9684 1.9684 2.1887 2.1887 2.4089 2.4089 4.2547 4.2547 4.6030 4.6030 5.0443 5.0443 8.1502 8.1502 8.4297 8.4297 11.6249 11.6249 k = 0.5000 0.2610-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0102 -12.0102 -11.3061 -11.3061 -11.2065 -11.2065 -11.1895 -11.1895 -10.9903 -10.9903 -10.9171 -10.9171 -2.0123 -2.0123 -1.8661 -1.8661 -1.6306 -1.6306 -1.1347 -1.1347 -0.9078 -0.9078 -0.7696 -0.7696 -0.3491 -0.3491 -0.0961 -0.0961 0.1614 0.1614 0.7365 0.7365 0.9809 0.9809 1.1326 1.1326 1.5751 1.5751 1.8331 1.8331 1.9590 1.9590 1.9597 1.9597 2.1882 2.1882 2.4089 2.4089 4.2536 4.2536 4.6032 4.6032 5.0449 5.0449 8.1498 8.1498 8.4294 8.4294 11.6248 11.6248 k = 0.5000 0.2610-0.4759 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0102 -12.0102 -11.3061 -11.3061 -11.2065 -11.2065 -11.1895 -11.1895 -10.9903 -10.9903 -10.9171 -10.9171 -2.0123 -2.0123 -1.8661 -1.8661 -1.6306 -1.6306 -1.1347 -1.1347 -0.9078 -0.9078 -0.7696 -0.7696 -0.3491 -0.3491 -0.0961 -0.0961 0.1614 0.1614 0.7365 0.7365 0.9809 0.9809 1.1326 1.1326 1.5751 1.5751 1.8331 1.8331 1.9590 1.9590 1.9597 1.9597 2.1882 2.1882 2.4089 2.4089 4.2536 4.2536 4.6032 4.6032 5.0449 5.0449 8.1498 8.1498 8.4294 8.4294 11.6248 11.6248 k = 0.5111 0.2668-0.4611 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0102 -12.0102 -11.3065 -11.3065 -11.2071 -11.2071 -11.1887 -11.1887 -10.9902 -10.9902 -10.9172 -10.9172 -2.0114 -2.0114 -1.8655 -1.8655 -1.6309 -1.6309 -1.1360 -1.1360 -0.9088 -0.9088 -0.7710 -0.7710 -0.3480 -0.3480 -0.0952 -0.0952 0.1617 0.1617 0.7380 0.7380 0.9816 0.9816 1.1328 1.1328 1.5744 1.5744 1.8299 1.8299 1.9503 1.9503 1.9692 1.9692 2.1883 2.1883 2.4085 2.4085 4.2546 4.2546 4.6039 4.6039 5.0445 5.0445 8.1502 8.1502 8.4286 8.4286 11.6162 11.6162 k = 0.5222 0.2726-0.4462 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0100 -12.0100 -11.3074 -11.3074 -11.2085 -11.2085 -11.1866 -11.1866 -10.9898 -10.9898 -10.9173 -10.9173 -2.0088 -2.0088 -1.8640 -1.8640 -1.6315 -1.6315 -1.1398 -1.1398 -0.9117 -0.9117 -0.7750 -0.7750 -0.3448 -0.3448 -0.0926 -0.0926 0.1627 0.1627 0.7426 0.7426 0.9837 0.9837 1.1336 1.1336 1.5723 1.5723 1.8203 1.8203 1.9412 1.9412 1.9805 1.9805 2.1887 2.1887 2.4071 2.4071 4.2576 4.2576 4.6061 4.6061 5.0434 5.0434 8.1514 8.1514 8.4263 8.4263 11.5926 11.5926 k = 0.5333 0.2784-0.4314 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0099 -12.0099 -11.3090 -11.3090 -11.2106 -11.2106 -11.1835 -11.1835 -10.9893 -10.9893 -10.9175 -10.9175 -2.0045 -2.0045 -1.8613 -1.8613 -1.6326 -1.6326 -1.1459 -1.1459 -0.9165 -0.9165 -0.7815 -0.7815 -0.3398 -0.3398 -0.0881 -0.0881 0.1643 0.1643 0.7501 0.7501 0.9874 0.9874 1.1348 1.1348 1.5688 1.5688 1.8051 1.8051 1.9317 1.9317 1.9933 1.9933 2.1893 2.1893 2.4049 2.4049 4.2623 4.2623 4.6098 4.6098 5.0414 5.0414 8.1534 8.1534 8.4224 8.4224 11.5589 11.5589 k = 0.5445 0.2842-0.4165 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0097 -12.0097 -11.3110 -11.3110 -11.2129 -11.2129 -11.1798 -11.1798 -10.9886 -10.9886 -10.9177 -10.9177 -1.9987 -1.9987 -1.8576 -1.8576 -1.6341 -1.6341 -1.1540 -1.1540 -0.9230 -0.9230 -0.7902 -0.7902 -0.3336 -0.3336 -0.0819 -0.0819 0.1663 0.1663 0.7606 0.7606 0.9925 0.9925 1.1366 1.1366 1.5640 1.5640 1.7847 1.7847 1.9220 1.9220 2.0074 2.0074 2.1900 2.1900 2.4018 2.4018 4.2686 4.2686 4.6148 4.6148 5.0388 5.0388 8.1562 8.1562 8.4171 8.4171 11.5194 11.5194 k = 0.5556 0.2900-0.4017 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0095 -12.0095 -11.3134 -11.3134 -11.2155 -11.2155 -11.1756 -11.1756 -10.9880 -10.9880 -10.9177 -10.9177 -1.9915 -1.9915 -1.8529 -1.8529 -1.6359 -1.6359 -1.1637 -1.1637 -0.9311 -0.9311 -0.8009 -0.8009 -0.3269 -0.3269 -0.0738 -0.0738 0.1689 0.1689 0.7739 0.7739 0.9991 0.9991 1.1389 1.1389 1.5576 1.5576 1.7594 1.7594 1.9126 1.9126 2.0224 2.0224 2.1909 2.1909 2.3976 2.3976 4.2761 4.2761 4.6211 4.6211 5.0355 5.0355 8.1599 8.1599 8.4104 8.4104 11.4774 11.4774 k = 0.5667 0.2958-0.3868 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0093 -12.0093 -11.3159 -11.3159 -11.2182 -11.2182 -11.1712 -11.1712 -10.9874 -10.9874 -10.9176 -10.9176 -1.9831 -1.9831 -1.8471 -1.8471 -1.6382 -1.6382 -1.1744 -1.1744 -0.9408 -0.9408 -0.8133 -0.8133 -0.3203 -0.3203 -0.0640 -0.0640 0.1718 0.1718 0.7899 0.7899 1.0072 1.0072 1.1418 1.1418 1.5497 1.5497 1.7298 1.7298 1.9042 1.9042 2.0380 2.0380 2.1920 2.1920 2.3925 2.3925 4.2844 4.2844 4.6284 4.6284 5.0317 5.0317 8.1642 8.1642 8.4025 8.4025 11.4349 11.4349 k = 0.5778 0.3016-0.3719 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0093 -12.0093 -11.3186 -11.3186 -11.2210 -11.2210 -11.1665 -11.1665 -10.9871 -10.9871 -10.9171 -10.9171 -1.9739 -1.9739 -1.8404 -1.8404 -1.6409 -1.6409 -1.1857 -1.1857 -0.9519 -0.9519 -0.8269 -0.8269 -0.3144 -0.3144 -0.0526 -0.0526 0.1749 0.1749 0.8083 0.8083 1.0168 1.0168 1.1454 1.1454 1.5399 1.5399 1.6968 1.6968 1.8971 1.8971 2.0537 2.0537 2.1931 2.1931 2.3863 2.3863 4.2933 4.2933 4.6366 4.6366 5.0275 5.0275 8.1694 8.1694 8.3934 8.3934 11.3934 11.3934 k = 0.5889 0.3074-0.3571 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0093 -12.0093 -11.3212 -11.3212 -11.2239 -11.2239 -11.1617 -11.1617 -10.9870 -10.9870 -10.9162 -10.9162 -1.9640 -1.9640 -1.8329 -1.8329 -1.6439 -1.6439 -1.1969 -1.1969 -0.9642 -0.9642 -0.8416 -0.8416 -0.3097 -0.3097 -0.0398 -0.0398 0.1782 0.1782 0.8291 0.8291 1.0279 1.0279 1.1496 1.1496 1.5276 1.5276 1.6619 1.6619 1.8915 1.8915 2.0693 2.0693 2.1943 2.1943 2.3791 2.3791 4.3025 4.3025 4.6454 4.6454 5.0229 5.0229 8.1753 8.1753 8.3835 8.3835 11.3539 11.3539 k = 0.6000 0.3132-0.3422 ( 8510 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0096 -12.0096 -11.3235 -11.3235 -11.2270 -11.2270 -11.1568 -11.1568 -10.9874 -10.9874 -10.9147 -10.9147 -1.9538 -1.9538 -1.8246 -1.8246 -1.6472 -1.6472 -1.2075 -1.2075 -0.9776 -0.9776 -0.8570 -0.8570 -0.3065 -0.3065 -0.0260 -0.0260 0.1816 0.1816 0.8519 0.8519 1.0404 1.0404 1.1545 1.1545 1.5117 1.5117 1.6270 1.6270 1.8875 1.8875 2.0846 2.0846 2.1957 2.1957 2.3709 2.3709 4.3116 4.3116 4.6544 4.6544 5.0181 5.0181 8.1819 8.1819 8.3728 8.3728 11.3172 11.3172 k = 0.6111 0.3190-0.3274 ( 8512 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0102 -12.0102 -11.3256 -11.3256 -11.2301 -11.2301 -11.1519 -11.1519 -10.9881 -10.9881 -10.9127 -10.9127 -1.9436 -1.9436 -1.8157 -1.8157 -1.6510 -1.6510 -1.2169 -1.2169 -0.9920 -0.9920 -0.8729 -0.8729 -0.3050 -0.3050 -0.0117 -0.0117 0.1850 0.1850 0.8764 0.8764 1.0542 1.0542 1.1603 1.1603 1.4905 1.4905 1.5951 1.5951 1.8850 1.8850 2.0992 2.0992 2.1971 2.1971 2.3617 2.3617 4.3205 4.3205 4.6632 4.6632 5.0134 5.0134 8.1892 8.1892 8.3616 8.3616 11.2838 11.2838 k = 0.6222 0.3248-0.3125 ( 8521 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0111 -12.0111 -11.3273 -11.3273 -11.2333 -11.2333 -11.1471 -11.1471 -10.9893 -10.9893 -10.9101 -10.9101 -1.9336 -1.9336 -1.8065 -1.8065 -1.6551 -1.6551 -1.2245 -1.2245 -1.0072 -1.0072 -0.8889 -0.8889 -0.3052 -0.3052 0.0026 0.0026 0.1883 0.1883 0.9023 0.9023 1.0691 1.0691 1.1669 1.1669 1.4626 1.4626 1.5687 1.5687 1.8840 1.8840 2.1128 2.1128 2.1989 2.1989 2.3517 2.3517 4.3290 4.3290 4.6714 4.6714 5.0089 5.0089 8.1972 8.1972 8.3500 8.3500 11.2541 11.2541 k = 0.6334 0.3306-0.2977 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0125 -12.0125 -11.3284 -11.3284 -11.2365 -11.2365 -11.1425 -11.1425 -10.9908 -10.9908 -10.9069 -10.9069 -1.9240 -1.9240 -1.7972 -1.7972 -1.6596 -1.6596 -1.2300 -1.2300 -1.0231 -1.0231 -0.9049 -0.9049 -0.3070 -0.3070 0.0162 0.0162 0.1917 0.1917 0.9293 0.9293 1.0850 1.0850 1.1744 1.1744 1.4289 1.4289 1.5483 1.5483 1.8843 1.8843 2.1252 2.1252 2.2009 2.2009 2.3408 2.3408 4.3370 4.3370 4.6786 4.6786 5.0047 5.0047 8.2058 8.2058 8.3383 8.3383 11.2282 11.2282 k = 0.6334 0.3306-0.2977 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0125 -12.0125 -11.3284 -11.3284 -11.2365 -11.2365 -11.1425 -11.1425 -10.9908 -10.9908 -10.9069 -10.9069 -1.9240 -1.9240 -1.7972 -1.7972 -1.6596 -1.6596 -1.2300 -1.2300 -1.0231 -1.0231 -0.9049 -0.9049 -0.3070 -0.3070 0.0162 0.0162 0.1917 0.1917 0.9293 0.9293 1.0850 1.0850 1.1744 1.1744 1.4289 1.4289 1.5483 1.5483 1.8843 1.8843 2.1252 2.1252 2.2009 2.2009 2.3408 2.3408 4.3370 4.3370 4.6786 4.6786 5.0047 5.0047 8.2058 8.2058 8.3383 8.3383 11.2282 11.2282 k = 0.6278 0.3277-0.2778 ( 8514 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0131 -12.0131 -11.3297 -11.3297 -11.2365 -11.2365 -11.1423 -11.1423 -10.9909 -10.9909 -10.9051 -10.9051 -1.9200 -1.9200 -1.7892 -1.7892 -1.6623 -1.6623 -1.2247 -1.2247 -1.0303 -1.0303 -0.9161 -0.9161 -0.2991 -0.2991 0.0233 0.0233 0.1919 0.1919 0.9313 0.9313 1.0955 1.0955 1.1786 1.1786 1.4081 1.4081 1.5214 1.5214 1.8907 1.8907 2.1295 2.1295 2.2047 2.2047 2.3281 2.3281 4.3511 4.3511 4.6812 4.6812 5.0066 5.0066 8.2021 8.2021 8.3307 8.3307 11.2390 11.2390 k = 0.6222 0.3248-0.2580 ( 8518 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0145 -12.0145 -11.3308 -11.3308 -11.2362 -11.2362 -11.1423 -11.1423 -10.9904 -10.9904 -10.9029 -10.9029 -1.9159 -1.9159 -1.7813 -1.7813 -1.6661 -1.6661 -1.2197 -1.2197 -1.0375 -1.0375 -0.9268 -0.9268 -0.2917 -0.2917 0.0301 0.0301 0.1914 0.1914 0.9319 0.9319 1.0991 1.0991 1.1941 1.1941 1.3877 1.3877 1.4941 1.4941 1.8979 1.8979 2.1330 2.1330 2.2091 2.2091 2.3145 2.3145 4.3661 4.3661 4.6828 4.6828 5.0080 5.0080 8.1986 8.1986 8.3237 8.3237 11.2497 11.2497 k = 0.6167 0.3219-0.2382 ( 8519 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0168 -12.0168 -11.3317 -11.3317 -11.2359 -11.2359 -11.1426 -11.1426 -10.9893 -10.9893 -10.9003 -10.9003 -1.9119 -1.9119 -1.7737 -1.7737 -1.6707 -1.6707 -1.2150 -1.2150 -1.0441 -1.0441 -0.9366 -0.9366 -0.2851 -0.2851 0.0365 0.0365 0.1901 0.1901 0.9308 0.9308 1.0980 1.0980 1.2176 1.2176 1.3682 1.3682 1.4679 1.4679 1.9058 1.9058 2.1352 2.1352 2.2137 2.2137 2.3006 2.3006 4.3816 4.3816 4.6833 4.6833 5.0088 5.0088 8.1954 8.1954 8.3173 8.3173 11.2596 11.2596 k = 0.6111 0.3190-0.2183 ( 8526 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0197 -12.0197 -11.3324 -11.3324 -11.2354 -11.2354 -11.1435 -11.1435 -10.9874 -10.9874 -10.8974 -10.8974 -1.9081 -1.9081 -1.7670 -1.7670 -1.6758 -1.6758 -1.2106 -1.2106 -1.0498 -1.0498 -0.9451 -0.9451 -0.2793 -0.2793 0.0419 0.0419 0.1879 0.1879 0.9273 0.9273 1.0957 1.0957 1.2426 1.2426 1.3501 1.3501 1.4463 1.4463 1.9144 1.9144 2.1357 2.1357 2.2182 2.2182 2.2873 2.2873 4.3976 4.3976 4.6826 4.6826 5.0091 5.0091 8.1926 8.1926 8.3118 8.3118 11.2681 11.2681 k = 0.6056 0.3161-0.1985 ( 8525 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0232 -12.0232 -11.3328 -11.3328 -11.2348 -11.2348 -11.1449 -11.1449 -10.9849 -10.9849 -10.8940 -10.8940 -1.9045 -1.9045 -1.7616 -1.7616 -1.6810 -1.6810 -1.2062 -1.2062 -1.0542 -1.0542 -0.9521 -0.9521 -0.2744 -0.2744 0.0461 0.0461 0.1849 0.1849 0.9212 0.9212 1.0944 1.0944 1.2609 1.2609 1.3331 1.3331 1.4357 1.4357 1.9236 1.9236 2.1339 2.1339 2.2219 2.2219 2.2758 2.2758 4.4137 4.4137 4.6807 4.6807 5.0087 5.0087 8.1905 8.1905 8.3070 8.3070 11.2748 11.2748 k = 0.6000 0.3132-0.1787 ( 8519 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0273 -12.0273 -11.3330 -11.3330 -11.2340 -11.2340 -11.1469 -11.1469 -10.9818 -10.9818 -10.8904 -10.8904 -1.9015 -1.9015 -1.7579 -1.7579 -1.6861 -1.6861 -1.2015 -1.2015 -1.0573 -1.0573 -0.9575 -0.9575 -0.2704 -0.2704 0.0489 0.0489 0.1809 0.1809 0.9127 0.9127 1.0949 1.0949 1.2650 1.2650 1.3157 1.3157 1.4445 1.4445 1.9333 1.9333 2.1289 2.1289 2.2245 2.2245 2.2673 2.2673 4.4297 4.4297 4.6777 4.6777 5.0079 5.0079 8.1891 8.1891 8.3029 8.3029 11.2792 11.2792 k = 0.5945 0.3103-0.1588 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0317 -12.0317 -11.3329 -11.3329 -11.2332 -11.2332 -11.1496 -11.1496 -10.9780 -10.9780 -10.8865 -10.8865 -1.8990 -1.8990 -1.7561 -1.7561 -1.6906 -1.6906 -1.1963 -1.1963 -1.0591 -1.0591 -0.9611 -0.9611 -0.2674 -0.2674 0.0501 0.0501 0.1761 0.1761 0.9018 0.9018 1.0974 1.0974 1.2548 1.2548 1.2977 1.2977 1.4727 1.4727 1.9433 1.9433 2.1203 2.1203 2.2256 2.2256 2.2629 2.2629 4.4454 4.4454 4.6735 4.6735 5.0065 5.0065 8.1887 8.1887 8.2994 8.2994 11.2814 11.2814 k = 0.5889 0.3074-0.1390 ( 8533 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0365 -12.0365 -11.3325 -11.3325 -11.2322 -11.2322 -11.1528 -11.1528 -10.9739 -10.9739 -10.8824 -10.8824 -1.8973 -1.8973 -1.7564 -1.7564 -1.6945 -1.6945 -1.1901 -1.1901 -1.0596 -1.0596 -0.9630 -0.9630 -0.2654 -0.2654 0.0497 0.0497 0.1703 0.1703 0.8890 0.8890 1.1017 1.1017 1.2349 1.2349 1.2816 1.2816 1.5131 1.5131 1.9535 1.9535 2.1081 2.1081 2.2260 2.2260 2.2619 2.2619 4.4605 4.4605 4.6684 4.6684 5.0046 5.0046 8.1894 8.1894 8.2965 8.2965 11.2812 11.2812 k = 0.5834 0.3045-0.1192 ( 8539 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0415 -12.0415 -11.3319 -11.3319 -11.2311 -11.2311 -11.1567 -11.1567 -10.9693 -10.9693 -10.8780 -10.8780 -1.8965 -1.8965 -1.7582 -1.7582 -1.6979 -1.6979 -1.1826 -1.1826 -1.0590 -1.0590 -0.9631 -0.9631 -0.2645 -0.2645 0.0478 0.0478 0.1636 0.1636 0.8749 0.8749 1.1070 1.1070 1.2099 1.2099 1.2687 1.2687 1.5597 1.5597 1.9633 1.9633 2.0934 2.0934 2.2265 2.2265 2.2630 2.2630 4.4747 4.4747 4.6623 4.6623 5.0023 5.0023 8.1913 8.1913 8.2941 8.2941 11.2789 11.2789 k = 0.5778 0.3016-0.0994 ( 8543 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0466 -12.0466 -11.3309 -11.3309 -11.2300 -11.2300 -11.1610 -11.1610 -10.9646 -10.9646 -10.8735 -10.8735 -1.8969 -1.8969 -1.7609 -1.7609 -1.7013 -1.7013 -1.1736 -1.1736 -1.0576 -1.0576 -0.9616 -0.9616 -0.2647 -0.2647 0.0446 0.0446 0.1559 0.1559 0.8597 0.8597 1.1122 1.1122 1.1840 1.1840 1.2584 1.2584 1.6094 1.6094 1.9719 1.9719 2.0779 2.0779 2.2275 2.2275 2.2650 2.2650 4.4878 4.4878 4.6555 4.6555 4.9997 4.9997 8.1945 8.1945 8.2921 8.2921 11.2748 11.2748 k = 0.5722 0.2987-0.0795 ( 8541 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0518 -12.0518 -11.3297 -11.3297 -11.2289 -11.2289 -11.1657 -11.1657 -10.9598 -10.9598 -10.8689 -10.8689 -1.8984 -1.8984 -1.7639 -1.7639 -1.7049 -1.7049 -1.1631 -1.1631 -1.0555 -1.0555 -0.9585 -0.9585 -0.2660 -0.2660 0.0403 0.0403 0.1472 0.1472 0.8440 0.8440 1.1138 1.1138 1.1625 1.1625 1.2502 1.2502 1.6604 1.6604 1.9777 1.9777 2.0641 2.0641 2.2289 2.2289 2.2673 2.2673 4.4994 4.4994 4.6483 4.6483 4.9968 4.9968 8.1989 8.1989 8.2904 8.2904 11.2691 11.2691 k = 0.5667 0.2958-0.0597 ( 8549 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0569 -12.0569 -11.3283 -11.3283 -11.2277 -11.2277 -11.1708 -11.1708 -10.9550 -10.9550 -10.8643 -10.8643 -1.9012 -1.9012 -1.7666 -1.7666 -1.7089 -1.7089 -1.1511 -1.1511 -1.0530 -1.0530 -0.9539 -0.9539 -0.2685 -0.2685 0.0352 0.0352 0.1376 0.1376 0.8280 0.8280 1.1039 1.1039 1.1539 1.1539 1.2438 1.2438 1.7114 1.7114 1.9775 1.9775 2.0558 2.0558 2.2305 2.2305 2.2696 2.2696 4.5093 4.5093 4.6411 4.6411 4.9937 4.9937 8.2045 8.2045 8.2890 8.2890 11.2623 11.2623 k = 0.5611 0.2929-0.0399 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0619 -12.0619 -11.3265 -11.3265 -11.2265 -11.2265 -11.1760 -11.1760 -10.9503 -10.9503 -10.8597 -10.8597 -1.9051 -1.9051 -1.7687 -1.7687 -1.7134 -1.7134 -1.1379 -1.1379 -1.0502 -1.0502 -0.9479 -0.9479 -0.2722 -0.2722 0.0298 0.0298 0.1271 0.1271 0.8119 0.8119 1.0837 1.0837 1.1575 1.1575 1.2389 1.2389 1.7613 1.7613 1.9696 1.9696 2.0554 2.0554 2.2322 2.2322 2.2715 2.2715 4.5169 4.5169 4.6343 4.6343 4.9906 4.9906 8.2111 8.2111 8.2877 8.2877 11.2547 11.2547 k = 0.5556 0.2900-0.0200 ( 8549 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0667 -12.0667 -11.3246 -11.3246 -11.2254 -11.2254 -11.1814 -11.1814 -10.9459 -10.9459 -10.8552 -10.8552 -1.9098 -1.9098 -1.7702 -1.7702 -1.7183 -1.7183 -1.1238 -1.1238 -1.0474 -1.0474 -0.9407 -0.9407 -0.2769 -0.2769 0.0241 0.0241 0.1159 0.1159 0.7961 0.7961 1.0611 1.0611 1.1655 1.1655 1.2354 1.2354 1.8090 1.8090 1.9562 1.9562 2.0617 2.0617 2.2337 2.2337 2.2731 2.2731 4.5219 4.5219 4.6285 4.6285 4.9875 4.9875 8.2186 8.2186 8.2866 8.2866 11.2466 11.2466 k = 0.5500 0.2871-0.0002 ( 8543 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0713 -12.0713 -11.3225 -11.3225 -11.2243 -11.2243 -11.1869 -11.1869 -10.9417 -10.9417 -10.8508 -10.8508 -1.9152 -1.9152 -1.7712 -1.7712 -1.7234 -1.7234 -1.1093 -1.1093 -1.0447 -1.0447 -0.9325 -0.9325 -0.2826 -0.2826 0.0185 0.0185 0.1044 0.1044 0.7807 0.7807 1.0394 1.0394 1.1749 1.1749 1.2330 1.2330 1.8522 1.8522 1.9417 1.9417 2.0717 2.0717 2.2349 2.2349 2.2742 2.2742 4.5241 4.5241 4.6241 4.6241 4.9845 4.9845 8.2267 8.2267 8.2857 8.2857 11.2385 11.2385 k = 0.5445 0.2842 0.0196 ( 8546 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0755 -12.0755 -11.3202 -11.3202 -11.2233 -11.2233 -11.1923 -11.1923 -10.9378 -10.9378 -10.8467 -10.8467 -1.9209 -1.9209 -1.7717 -1.7717 -1.7283 -1.7283 -1.0948 -1.0948 -1.0420 -1.0420 -0.9234 -0.9234 -0.2891 -0.2891 0.0130 0.0130 0.0927 0.0927 0.7659 0.7659 1.0196 1.0196 1.1846 1.1846 1.2316 1.2316 1.8839 1.8839 1.9347 1.9347 2.0837 2.0837 2.2357 2.2357 2.2750 2.2750 4.5233 4.5233 4.6214 4.6214 4.9817 4.9817 8.2352 8.2352 8.2849 8.2849 11.2305 11.2305 k = 0.5389 0.2813 0.0395 ( 8546 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0793 -12.0793 -11.3179 -11.3179 -11.2224 -11.2224 -11.1975 -11.1975 -10.9344 -10.9344 -10.8428 -10.8428 -1.9266 -1.9266 -1.7720 -1.7720 -1.7330 -1.7330 -1.0808 -1.0808 -1.0397 -1.0397 -0.9137 -0.9137 -0.2961 -0.2961 0.0078 0.0078 0.0815 0.0815 0.7520 0.7520 1.0020 1.0020 1.1942 1.1942 1.2309 1.2309 1.8872 1.8872 1.9525 1.9525 2.0969 2.0969 2.2361 2.2361 2.2754 2.2754 4.5201 4.5201 4.6203 4.6203 4.9793 4.9793 8.2438 8.2438 8.2842 8.2842 11.2230 11.2230 k = 0.5333 0.2784 0.0593 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0828 -12.0828 -11.3155 -11.3155 -11.2215 -11.2215 -11.2025 -11.2025 -10.9313 -10.9313 -10.8394 -10.8394 -1.9320 -1.9320 -1.7724 -1.7724 -1.7371 -1.7371 -1.0677 -1.0677 -1.0375 -1.0375 -0.9039 -0.9039 -0.3034 -0.3034 0.0029 0.0029 0.0711 0.0711 0.7392 0.7392 0.9868 0.9868 1.2032 1.2032 1.2307 1.2307 1.8755 1.8755 1.9815 1.9815 2.1108 2.1108 2.2361 2.2361 2.2755 2.2755 4.5153 4.5153 4.6203 4.6203 4.9771 4.9771 8.2520 8.2520 8.2837 8.2837 11.2161 11.2161 k = 0.5278 0.2755 0.0791 ( 8542 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0857 -12.0857 -11.3131 -11.3131 -11.2208 -11.2208 -11.2070 -11.2070 -10.9287 -10.9287 -10.8363 -10.8363 -1.9370 -1.9370 -1.7729 -1.7729 -1.7404 -1.7404 -1.0561 -1.0561 -1.0356 -1.0356 -0.8944 -0.8944 -0.3106 -0.3106 -0.0018 -0.0018 0.0619 0.0619 0.7278 0.7278 0.9741 0.9741 1.2113 1.2113 1.2309 1.2309 1.8623 1.8623 2.0083 2.0083 2.1250 2.1250 2.2356 2.2356 2.2753 2.2753 4.5096 4.5096 4.6210 4.6210 4.9753 4.9753 8.2594 8.2594 8.2834 8.2834 11.2101 11.2101 k = 0.5222 0.2726 0.0990 ( 8548 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0882 -12.0882 -11.3110 -11.3110 -11.2202 -11.2202 -11.2110 -11.2110 -10.9266 -10.9266 -10.8337 -10.8337 -1.9412 -1.9412 -1.7736 -1.7736 -1.7429 -1.7429 -1.0462 -1.0462 -1.0340 -1.0340 -0.8855 -0.8855 -0.3172 -0.3172 -0.0061 -0.0061 0.0542 0.0542 0.7181 0.7181 0.9637 0.9637 1.2183 1.2183 1.2315 1.2315 1.8503 1.8503 2.0302 2.0302 2.1391 2.1391 2.2346 2.2346 2.2749 2.2749 4.5039 4.5039 4.6219 4.6219 4.9738 4.9738 8.2658 8.2658 8.2834 8.2834 11.2049 11.2049 k = 0.5167 0.2697 0.1188 ( 8552 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0902 -12.0902 -11.3091 -11.3091 -11.2197 -11.2197 -11.2144 -11.2144 -10.9249 -10.9249 -10.8317 -10.8317 -1.9447 -1.9447 -1.7743 -1.7743 -1.7446 -1.7446 -1.0385 -1.0385 -1.0325 -1.0325 -0.8779 -0.8779 -0.3229 -0.3229 -0.0099 -0.0099 0.0482 0.0482 0.7103 0.7103 0.9558 0.9558 1.2238 1.2238 1.2322 1.2322 1.8403 1.8403 2.0467 2.0467 2.1520 2.1520 2.2333 2.2333 2.2744 2.2744 4.4988 4.4988 4.6229 4.6229 4.9726 4.9726 8.2706 8.2706 8.2839 8.2839 11.2009 11.2009 k = 0.5111 0.2668 0.1386 ( 8566 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0916 -12.0916 -11.3077 -11.3077 -11.2193 -11.2193 -11.2169 -11.2169 -10.9237 -10.9237 -10.8302 -10.8302 -1.9472 -1.9472 -1.7751 -1.7751 -1.7456 -1.7456 -1.0341 -1.0341 -1.0302 -1.0302 -0.8721 -0.8721 -0.3273 -0.3273 -0.0129 -0.0129 0.0440 0.0440 0.7045 0.7045 0.9502 0.9502 1.2274 1.2274 1.2333 1.2333 1.8330 1.8330 2.0581 2.0581 2.1628 2.1628 2.2318 2.2318 2.2739 2.2739 4.4948 4.4948 4.6237 4.6237 4.9718 4.9718 8.2736 8.2736 8.2849 8.2849 11.1979 11.1979 k = 0.5056 0.2639 0.1585 ( 8576 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0924 -12.0924 -11.3067 -11.3067 -11.2192 -11.2192 -11.2184 -11.2184 -10.9229 -10.9229 -10.8293 -10.8293 -1.9488 -1.9488 -1.7756 -1.7756 -1.7462 -1.7462 -1.0327 -1.0327 -1.0275 -1.0275 -0.8684 -0.8684 -0.3300 -0.3300 -0.0148 -0.0148 0.0416 0.0416 0.7010 0.7010 0.9469 0.9469 1.2292 1.2292 1.2344 1.2344 1.8285 1.8285 2.0648 2.0648 2.1700 2.1700 2.2306 2.2306 2.2736 2.2736 4.4923 4.4923 4.6241 4.6241 4.9714 4.9714 8.2750 8.2750 8.2859 8.2859 11.1961 11.1961 k = 0.5000 0.2610 0.1783 ( 8576 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0927 -12.0927 -11.3064 -11.3064 -11.2193 -11.2193 -11.2187 -11.2187 -10.9227 -10.9227 -10.8290 -10.8290 -1.9493 -1.9493 -1.7758 -1.7758 -1.7464 -1.7464 -1.0324 -1.0324 -1.0264 -1.0264 -0.8671 -0.8671 -0.3310 -0.3310 -0.0155 -0.0155 0.0407 0.0407 0.6998 0.6998 0.9458 0.9458 1.2297 1.2297 1.2349 1.2349 1.8270 1.8270 2.0670 2.0670 2.1725 2.1725 2.2301 2.2301 2.2735 2.2735 4.4914 4.4914 4.6243 4.6243 4.9712 4.9712 8.2754 8.2754 8.2864 8.2864 11.1955 11.1955 k = 0.5000-0.3484-0.2380 ( 8502 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0833 -12.0833 -11.2944 -11.2944 -11.2374 -11.2374 -11.1825 -11.1825 -10.9520 -10.9520 -10.8351 -10.8351 -2.0429 -2.0429 -1.7770 -1.7770 -1.6045 -1.6045 -1.3207 -1.3207 -1.0365 -1.0365 -0.8389 -0.8389 -0.6951 -0.6951 -0.1557 -0.1557 0.2279 0.2279 0.8462 0.8462 1.1314 1.1314 1.5951 1.5951 1.7234 1.7234 1.8311 1.8311 2.0007 2.0007 2.0621 2.0621 2.1767 2.1767 2.2944 2.2944 4.1944 4.1944 4.4957 4.4957 5.0023 5.0023 8.2472 8.2472 8.5536 8.5536 11.0016 11.0016 k = 0.5133-0.3353-0.2291 ( 8522 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0830 -12.0830 -11.2942 -11.2942 -11.2386 -11.2386 -11.1814 -11.1814 -10.9523 -10.9523 -10.8355 -10.8355 -2.0418 -2.0418 -1.7765 -1.7765 -1.6056 -1.6056 -1.3209 -1.3209 -1.0373 -1.0373 -0.8402 -0.8402 -0.6926 -0.6926 -0.1536 -0.1536 0.2279 0.2279 0.8471 0.8471 1.1317 1.1317 1.5922 1.5922 1.7220 1.7220 1.8292 1.8292 2.0020 2.0020 2.0594 2.0594 2.1782 2.1782 2.2943 2.2943 4.1953 4.1953 4.4973 4.4973 5.0020 5.0020 8.2474 8.2474 8.5519 8.5519 11.0001 11.0001 k = 0.5267-0.3223-0.2201 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0820 -12.0820 -11.2936 -11.2936 -11.2419 -11.2419 -11.1781 -11.1781 -10.9533 -10.9533 -10.8364 -10.8364 -2.0384 -2.0384 -1.7749 -1.7749 -1.6089 -1.6089 -1.3216 -1.3216 -1.0395 -1.0395 -0.8438 -0.8438 -0.6856 -0.6856 -0.1476 -0.1476 0.2276 0.2276 0.8500 0.8500 1.1328 1.1328 1.5838 1.5838 1.7179 1.7179 1.8237 1.8237 2.0048 2.0048 2.0525 2.0525 2.1826 2.1826 2.2939 2.2939 4.1981 4.1981 4.5021 4.5021 5.0010 5.0010 8.2481 8.2481 8.5468 8.5468 10.9960 10.9960 k = 0.5400-0.3092-0.2112 ( 8531 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0805 -12.0805 -11.2927 -11.2927 -11.2466 -11.2466 -11.1735 -11.1735 -10.9549 -10.9549 -10.8379 -10.8379 -2.0330 -2.0330 -1.7723 -1.7723 -1.6142 -1.6142 -1.3227 -1.3227 -1.0431 -1.0431 -0.8493 -0.8493 -0.6743 -0.6743 -0.1378 -0.1378 0.2271 0.2271 0.8546 0.8546 1.1346 1.1346 1.5702 1.5702 1.7113 1.7113 1.8144 1.8144 2.0055 2.0055 2.0460 2.0460 2.1887 2.1887 2.2932 2.2932 4.2025 4.2025 4.5099 4.5099 4.9994 4.9994 8.2494 8.2494 8.5386 8.5386 10.9902 10.9902 k = 0.5533-0.2962-0.2023 ( 8538 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0784 -12.0784 -11.2915 -11.2915 -11.2523 -11.2523 -11.1680 -11.1680 -10.9570 -10.9570 -10.8400 -10.8400 -2.0255 -2.0255 -1.7689 -1.7689 -1.6214 -1.6214 -1.3239 -1.3239 -1.0477 -1.0477 -0.8563 -0.8563 -0.6594 -0.6594 -0.1247 -0.1247 0.2264 0.2264 0.8612 0.8612 1.1371 1.1371 1.5517 1.5517 1.7024 1.7024 1.8015 1.8015 1.9978 1.9978 2.0468 2.0468 2.1958 2.1958 2.2924 2.2924 4.2084 4.2084 4.5204 4.5204 4.9972 4.9972 8.2511 8.2511 8.5273 8.5273 10.9837 10.9837 k = 0.5667-0.2831-0.1934 ( 8535 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0756 -12.0756 -11.2900 -11.2900 -11.2585 -11.2585 -11.1620 -11.1620 -10.9598 -10.9598 -10.8427 -10.8427 -2.0162 -2.0162 -1.7648 -1.7648 -1.6302 -1.6302 -1.3252 -1.3252 -1.0529 -1.0529 -0.8642 -0.8642 -0.6415 -0.6415 -0.1089 -0.1089 0.2253 0.2253 0.8697 0.8697 1.1404 1.1404 1.5291 1.5291 1.6911 1.6911 1.7847 1.7847 1.9824 1.9824 2.0551 2.0551 2.2031 2.2031 2.2916 2.2916 4.2156 4.2156 4.5334 4.5334 4.9945 4.9945 8.2533 8.2533 8.5133 8.5133 10.9777 10.9777 k = 0.5800-0.2701-0.1845 ( 8545 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0724 -12.0724 -11.2881 -11.2881 -11.2649 -11.2649 -11.1559 -11.1559 -10.9630 -10.9630 -10.8458 -10.8458 -2.0053 -2.0053 -1.7602 -1.7602 -1.6403 -1.6403 -1.3264 -1.3264 -1.0584 -1.0584 -0.8726 -0.8726 -0.6210 -0.6210 -0.0912 -0.0912 0.2238 0.2238 0.8800 0.8800 1.1444 1.1444 1.5029 1.5029 1.6771 1.6771 1.7642 1.7642 1.9643 1.9643 2.0668 2.0668 2.2099 2.2099 2.2908 2.2908 4.2239 4.2239 4.5485 4.5485 4.9913 4.9913 8.2560 8.2560 8.4968 8.4968 10.9730 10.9730 k = 0.5934-0.2570-0.1756 ( 8546 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0687 -12.0687 -11.2861 -11.2861 -11.2713 -11.2713 -11.1498 -11.1498 -10.9666 -10.9666 -10.8494 -10.8494 -1.9930 -1.9930 -1.7554 -1.7554 -1.6511 -1.6511 -1.3271 -1.3271 -1.0638 -1.0638 -0.8813 -0.8813 -0.5985 -0.5985 -0.0720 -0.0720 0.2220 0.2220 0.8921 0.8921 1.1492 1.1492 1.4739 1.4739 1.6597 1.6597 1.7407 1.7407 1.9463 1.9463 2.0799 2.0799 2.2158 2.2158 2.2905 2.2905 4.2329 4.2329 4.5650 4.5650 4.9879 4.9879 8.2591 8.2591 8.4783 8.4783 10.9704 10.9704 k = 0.6067-0.2440-0.1667 ( 8550 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0646 -12.0646 -11.2844 -11.2844 -11.2770 -11.2770 -11.1440 -11.1440 -10.9705 -10.9705 -10.8535 -10.8535 -1.9797 -1.9797 -1.7511 -1.7511 -1.6620 -1.6620 -1.3272 -1.3272 -1.0688 -1.0688 -0.8899 -0.8899 -0.5744 -0.5744 -0.0524 -0.0524 0.2196 0.2196 0.9058 0.9058 1.1547 1.1547 1.4426 1.4426 1.6371 1.6371 1.7161 1.7161 1.9299 1.9299 2.0933 2.0933 2.2202 2.2202 2.2909 2.2909 4.2425 4.2425 4.5825 4.5825 4.9843 4.9843 8.2626 8.2626 8.4581 8.4581 10.9705 10.9705 k = 0.6200-0.2309-0.1577 ( 8552 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0600 -12.0600 -11.2864 -11.2864 -11.2785 -11.2785 -11.1387 -11.1387 -10.9746 -10.9746 -10.8578 -10.8578 -1.9659 -1.9659 -1.7478 -1.7478 -1.6723 -1.6723 -1.3264 -1.3264 -1.0730 -1.0730 -0.8982 -0.8982 -0.5492 -0.5492 -0.0328 -0.0328 0.2169 0.2169 0.9210 0.9210 1.1609 1.1609 1.4100 1.4100 1.6076 1.6076 1.6928 1.6928 1.9158 1.9158 2.1065 2.1065 2.2225 2.2225 2.2925 2.2925 4.2525 4.2525 4.6004 4.6004 4.9808 4.9808 8.2665 8.2665 8.4367 8.4367 10.9737 10.9737 k = 0.6334-0.2179-0.1488 ( 8536 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7363 -33.7363 -33.7252 -33.7252 -12.0552 -12.0552 -11.2919 -11.2919 -11.2761 -11.2761 -11.1339 -11.1339 -10.9787 -10.9787 -10.8624 -10.8624 -1.9520 -1.9520 -1.7467 -1.7467 -1.6806 -1.6806 -1.3243 -1.3243 -1.0762 -1.0762 -0.9059 -0.9059 -0.5231 -0.5231 -0.0142 -0.0142 0.2139 0.2139 0.9372 0.9372 1.1675 1.1675 1.3768 1.3768 1.5710 1.5710 1.6724 1.6724 1.9040 1.9040 2.1189 2.1189 2.2226 2.2226 2.2953 2.2953 4.2625 4.2625 4.6179 4.6179 4.9777 4.9777 8.2707 8.2707 8.4144 8.4144 10.9802 10.9802 k = 0.6467-0.2048-0.1399 ( 8524 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0502 -12.0502 -11.2976 -11.2976 -11.2729 -11.2729 -11.1299 -11.1299 -10.9827 -10.9827 -10.8672 -10.8672 -1.9386 -1.9386 -1.7485 -1.7485 -1.6859 -1.6859 -1.3207 -1.3207 -1.0782 -1.0782 -0.9127 -0.9127 -0.4967 -0.4967 0.0027 0.0027 0.2108 0.2108 0.9540 0.9540 1.1739 1.1739 1.3443 1.3443 1.5290 1.5290 1.6545 1.6545 1.8946 1.8946 2.1302 2.1302 2.2207 2.2207 2.2993 2.2993 4.2725 4.2725 4.6345 4.6345 4.9751 4.9751 8.2752 8.2752 8.3918 8.3918 10.9902 10.9902 k = 0.6600-0.1918-0.1310 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0451 -12.0451 -11.3032 -11.3032 -11.2694 -11.2694 -11.1268 -11.1268 -10.9863 -10.9863 -10.8722 -10.8722 -1.9264 -1.9264 -1.7535 -1.7535 -1.6878 -1.6878 -1.3154 -1.3154 -1.0787 -1.0787 -0.9185 -0.9185 -0.4703 -0.4703 0.0172 0.0172 0.2077 0.2077 0.9708 0.9708 1.1784 1.1784 1.3147 1.3147 1.4839 1.4839 1.6384 1.6384 1.8872 1.8872 2.1401 2.1401 2.2172 2.2172 2.3042 2.3042 4.2823 4.2823 4.6496 4.6496 4.9734 4.9734 8.2797 8.2797 8.3694 8.3694 11.0038 11.0038 k = 0.6734-0.1787-0.1221 ( 8539 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0399 -12.0399 -11.3084 -11.3084 -11.2656 -11.2656 -11.1248 -11.1248 -10.9894 -10.9894 -10.8772 -10.8772 -1.9162 -1.9162 -1.7604 -1.7604 -1.6869 -1.6869 -1.3082 -1.3082 -1.0778 -1.0778 -0.9230 -0.9230 -0.4443 -0.4443 0.0287 0.0287 0.2050 0.2050 0.9867 0.9867 1.1775 1.1775 1.2918 1.2918 1.4383 1.4383 1.6234 1.6234 1.8817 1.8817 2.1480 2.1480 2.2127 2.2127 2.3094 2.3094 4.2917 4.2917 4.6625 4.6625 4.9729 4.9729 8.2839 8.2839 8.3478 8.3478 11.0209 11.0209 k = 0.6867-0.1657-0.1132 ( 8534 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0348 -12.0348 -11.3131 -11.3131 -11.2616 -11.2616 -11.1240 -11.1240 -10.9918 -10.9918 -10.8822 -10.8822 -1.9087 -1.9087 -1.7678 -1.7678 -1.6844 -1.6844 -1.2993 -1.2993 -1.0753 -1.0753 -0.9259 -0.9259 -0.4191 -0.4191 0.0367 0.0367 0.2028 0.2028 1.0005 1.0005 1.1669 1.1669 1.2795 1.2795 1.3956 1.3956 1.6093 1.6093 1.8780 1.8780 2.1536 2.1536 2.2079 2.2079 2.3149 2.3149 4.3006 4.3006 4.6728 4.6728 4.9737 4.9737 8.2864 8.2864 8.3288 8.3288 11.0416 11.0416 k = 0.7000-0.1526-0.1043 ( 8535 PWs) bands (ev): -72.1185 -72.1185 -43.5007 -43.5007 -33.7364 -33.7364 -33.7252 -33.7252 -12.0300 -12.0300 -11.3173 -11.3173 -11.2575 -11.2575 -11.1245 -11.1245 -10.9934 -10.9934 -10.8871 -10.8871 -1.9044 -1.9044 -1.7746 -1.7746 -1.6808 -1.6808 -1.2887 -1.2887 -1.0711 -1.0711 -0.9272 -0.9272 -0.3951 -0.3951 0.0408 0.0408 0.2011 0.2011 1.0105 1.0105 1.1471 1.1471 1.2741 1.2741 1.3618 1.3618 1.5960 1.5960 1.8759 1.8759 2.1560 2.1560 2.2039 2.2039 2.3202 2.3202 4.3089 4.3089 4.6803 4.6803 4.9761 4.9761 8.2829 8.2829 8.3168 8.3168 11.0656 11.0656 k = 0.7134-0.1396-0.0953 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0254 -12.0254 -11.3209 -11.3209 -11.2532 -11.2532 -11.1263 -11.1263 -10.9941 -10.9941 -10.8918 -10.8918 -1.9035 -1.9035 -1.7804 -1.7804 -1.6768 -1.6768 -1.2770 -1.2770 -1.0650 -1.0650 -0.9265 -0.9265 -0.3727 -0.3727 0.0413 0.0413 0.1998 0.1998 1.0139 1.0139 1.1247 1.1247 1.2612 1.2612 1.3486 1.3486 1.5835 1.5835 1.8753 1.8753 2.1549 2.1549 2.2013 2.2013 2.3253 2.3253 4.3164 4.3164 4.6848 4.6848 4.9800 4.9800 8.2702 8.2702 8.3154 8.3154 11.0929 11.0929 k = 0.7267-0.1265-0.0864 ( 8530 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0212 -12.0212 -11.3239 -11.3239 -11.2490 -11.2490 -11.1291 -11.1291 -10.9940 -10.9940 -10.8963 -10.8963 -1.9058 -1.9058 -1.7852 -1.7852 -1.6724 -1.6724 -1.2647 -1.2647 -1.0571 -1.0571 -0.9240 -0.9240 -0.3523 -0.3523 0.0383 0.0383 0.1986 0.1986 1.0066 1.0066 1.1071 1.1071 1.2365 1.2365 1.3579 1.3579 1.5719 1.5719 1.8759 1.8759 2.1504 2.1504 2.2003 2.2003 2.3300 2.3300 4.3230 4.3230 4.6865 4.6865 4.9852 4.9852 8.2535 8.2535 8.3193 8.3193 11.1230 11.1230 k = 0.7401-0.1135-0.0775 ( 8528 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0176 -12.0176 -11.3261 -11.3261 -11.2448 -11.2448 -11.1330 -11.1330 -10.9933 -10.9933 -10.9003 -10.9003 -1.9105 -1.9105 -1.7893 -1.7893 -1.6679 -1.6679 -1.2524 -1.2524 -1.0472 -1.0472 -0.9194 -0.9194 -0.3343 -0.3343 0.0327 0.0327 0.1970 0.1970 0.9871 0.9871 1.0972 1.0972 1.2102 1.2102 1.3786 1.3786 1.5616 1.5616 1.8777 1.8777 2.1434 2.1434 2.2002 2.2002 2.3342 2.3342 4.3287 4.3287 4.6857 4.6857 4.9913 4.9913 8.2365 8.2365 8.3250 8.3250 11.1559 11.1559 k = 0.7534-0.1004-0.0686 ( 8520 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7363 -33.7363 -33.7252 -33.7252 -12.0147 -12.0147 -11.3276 -11.3276 -11.2406 -11.2406 -11.1375 -11.1375 -10.9922 -10.9922 -10.9039 -10.9039 -1.9168 -1.9168 -1.7932 -1.7932 -1.6635 -1.6635 -1.2407 -1.2407 -1.0357 -1.0357 -0.9130 -0.9130 -0.3191 -0.3191 0.0251 0.0251 0.1947 0.1947 0.9596 0.9596 1.0913 1.0913 1.1886 1.1886 1.4035 1.4035 1.5533 1.5533 1.8806 1.8806 2.1348 2.1348 2.2005 2.2005 2.3378 2.3378 4.3334 4.3334 4.6829 4.6829 4.9979 4.9979 8.2205 8.2205 8.3315 8.3315 11.1911 11.1911 k = 0.7667-0.0874-0.0597 ( 8532 PWs) bands (ev): -72.1185 -72.1185 -43.5006 -43.5006 -33.7364 -33.7364 -33.7252 -33.7252 -12.0125 -12.0125 -11.3283 -11.3283 -11.2366 -11.2366 -11.1425 -11.1425 -10.9908 -10.9908 -10.9069 -10.9069 -1.9240 -1.9240 -1.7972 -1.7972 -1.6596 -1.6596 -1.2300 -1.2300 -1.0231 -1.0231 -0.9049 -0.9049 -0.3070 -0.3070 0.0162 0.0162 0.1917 0.1917 0.9293 0.9293 1.0850 1.0850 1.1744 1.1744 1.4288 1.4288 1.5483 1.5483 1.8843 1.8843 2.1252 2.1252 2.2009 2.2009 2.3408 2.3408 4.3370 4.3370 4.6786 4.6786 5.0047 5.0047 8.2058 8.2058 8.3383 8.3383 11.2282 11.2282 Writing output data file WCl6.save init_run : 0.52s CPU 0.73s WALL ( 1 calls) electrons : 304.91s CPU 308.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 304.90s CPU 308.83s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.13s WALL ( 231 calls) cegterg : 282.72s CPU 285.39s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 175.17s CPU 177.18s WALL ( 7877 calls) s_psi : 13.04s CPU 13.12s WALL ( 7877 calls) g_psi : 0.50s CPU 0.46s WALL ( 7164 calls) cdiaghg : 75.98s CPU 76.95s WALL ( 7395 calls) cegterg:over : 12.91s CPU 13.06s WALL ( 7164 calls) cegterg:upda : 12.36s CPU 12.21s WALL ( 7164 calls) cegterg:last : 5.06s CPU 5.10s WALL ( 944 calls) cdiaghg:chol : 4.52s CPU 4.42s WALL ( 7395 calls) cdiaghg:inve : 3.18s CPU 3.16s WALL ( 7395 calls) cdiaghg:para : 5.00s CPU 5.13s WALL ( 14790 calls) Called by h_psi: h_psi:vloc : 147.56s CPU 149.50s WALL ( 7877 calls) h_psi:vnl : 27.10s CPU 27.17s WALL ( 7877 calls) add_vuspsi : 15.02s CPU 14.96s WALL ( 7877 calls) General routines calbec : 12.04s CPU 12.18s WALL ( 7877 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 135.04s CPU 137.07s WALL ( 785904 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.37s WALL ( 462 calls) Parallel routines fft_scatter : 42.77s CPU 43.35s WALL ( 785927 calls) PWSCF : 5m27.37s CPU 5m52.95s WALL This run was terminated on: 17: 9:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=