Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:25:19 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./WBr6.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 34 9 2369 1088 158 Max 59 35 10 2372 1108 163 Sum 4179 2495 691 170671 79043 11523 bravais-lattice index = 14 lattice parameter (alat) = 13.0613 a.u. unit-cell volume = 1396.1532 (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)= 13.061314 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.572103 celldm(5)= 0.572103 celldm(6)= 0.572103 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.572103 0.820182 0.000000 ) a(3) = ( 0.572103 0.298472 0.763945 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.697532 -0.476355 ) b(2) = ( 0.000000 1.219242 -0.476355 ) b(3) = ( 0.000000 0.000000 1.308994 ) PseudoPot. # 1 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 PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) Br 7.00 79.90400 Br( 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= 220 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0166667 -0.0116255 -0.0079393), wk = 0.0045455 k( 3) = ( 0.0333333 -0.0232511 -0.0158785), wk = 0.0045455 k( 4) = ( 0.0500000 -0.0348766 -0.0238178), wk = 0.0045455 k( 5) = ( 0.0666667 -0.0465021 -0.0317570), wk = 0.0045455 k( 6) = ( 0.0833333 -0.0581277 -0.0396963), wk = 0.0045455 k( 7) = ( 0.1000000 -0.0697532 -0.0476355), wk = 0.0045455 k( 8) = ( 0.1166667 -0.0813787 -0.0555748), wk = 0.0045455 k( 9) = ( 0.1333333 -0.0930043 -0.0635140), wk = 0.0045455 k( 10) = ( 0.1500000 -0.1046298 -0.0714533), wk = 0.0045455 k( 11) = ( 0.1666667 -0.1162553 -0.0793925), wk = 0.0045455 k( 12) = ( 0.1833333 -0.1278809 -0.0873318), wk = 0.0045455 k( 13) = ( 0.2000000 -0.1395064 -0.0952710), wk = 0.0045455 k( 14) = ( 0.2166667 -0.1511319 -0.1032103), wk = 0.0045455 k( 15) = ( 0.2333333 -0.1627575 -0.1111495), wk = 0.0045455 k( 16) = ( 0.2500000 -0.1743830 -0.1190888), wk = 0.0045455 k( 17) = ( 0.2666667 -0.1860085 -0.1270280), wk = 0.0045455 k( 18) = ( 0.2833333 -0.1976341 -0.1349673), wk = 0.0045455 k( 19) = ( 0.3000000 -0.2092596 -0.1429066), wk = 0.0045455 k( 20) = ( 0.3166667 -0.2208851 -0.1508458), wk = 0.0045455 k( 21) = ( 0.3333333 -0.2325107 -0.1587851), wk = 0.0045455 k( 22) = ( 0.3500000 -0.2441362 -0.1667243), wk = 0.0045455 k( 23) = ( 0.3666667 -0.2557617 -0.1746636), wk = 0.0045455 k( 24) = ( 0.3833333 -0.2673873 -0.1826028), wk = 0.0045455 k( 25) = ( 0.4000000 -0.2790128 -0.1905421), wk = 0.0045455 k( 26) = ( 0.4166667 -0.2906383 -0.1984813), wk = 0.0045455 k( 27) = ( 0.4333333 -0.3022639 -0.2064206), wk = 0.0045455 k( 28) = ( 0.4500000 -0.3138894 -0.2143598), wk = 0.0045455 k( 29) = ( 0.4666667 -0.3255149 -0.2222991), wk = 0.0045455 k( 30) = ( 0.4833333 -0.3371405 -0.2302383), wk = 0.0045455 k( 31) = ( 0.5000000 -0.3487660 -0.2381776), wk = 0.0045455 k( 32) = ( 0.5000000 -0.3487660 -0.2381776), wk = 0.0045455 k( 33) = ( 0.5000000 -0.3364047 -0.2562784), wk = 0.0045455 k( 34) = ( 0.5000000 -0.3240433 -0.2743793), wk = 0.0045455 k( 35) = ( 0.5000000 -0.3116820 -0.2924801), wk = 0.0045455 k( 36) = ( 0.5000000 -0.2993206 -0.3105810), wk = 0.0045455 k( 37) = ( 0.5000000 -0.2869593 -0.3286818), wk = 0.0045455 k( 38) = ( 0.5000000 -0.2745980 -0.3467826), wk = 0.0045455 k( 39) = ( 0.5000000 -0.2622366 -0.3648835), wk = 0.0045455 k( 40) = ( 0.5000000 -0.2498753 -0.3829843), wk = 0.0045455 k( 41) = ( 0.5000000 -0.2375139 -0.4010852), wk = 0.0045455 k( 42) = ( 0.5000000 -0.2251526 -0.4191860), wk = 0.0045455 k( 43) = ( 0.5000000 -0.2127913 -0.4372869), wk = 0.0045455 k( 44) = ( 0.5000000 -0.2004299 -0.4553877), wk = 0.0045455 k( 45) = ( 0.5000000 -0.1880686 -0.4734885), wk = 0.0045455 k( 46) = ( 0.5000000 -0.1757072 -0.4915894), wk = 0.0045455 k( 47) = ( 0.5000000 -0.1633459 -0.5096902), wk = 0.0045455 k( 48) = ( 0.5000000 -0.1509846 -0.5277911), wk = 0.0045455 k( 49) = ( 0.5000000 -0.1386232 -0.5458919), wk = 0.0045455 k( 50) = ( 0.5000000 -0.1262619 -0.5639928), wk = 0.0045455 k( 51) = ( 0.5000000 -0.1139006 -0.5820936), wk = 0.0045455 k( 52) = ( 0.5000000 -0.1015392 -0.6001944), wk = 0.0045455 k( 53) = ( 0.5000000 -0.0891779 -0.6182953), wk = 0.0045455 k( 54) = ( 0.5000000 -0.0768165 -0.6363961), wk = 0.0045455 k( 55) = ( 0.5000000 -0.0644552 -0.6544970), wk = 0.0045455 k( 56) = ( 0.7668135 0.0747440 -0.2982134), wk = 0.0045455 k( 57) = ( 0.7569315 0.0816370 -0.2805706), wk = 0.0045455 k( 58) = ( 0.7470495 0.0885300 -0.2629278), wk = 0.0045455 k( 59) = ( 0.7371675 0.0954230 -0.2452850), wk = 0.0045455 k( 60) = ( 0.7272855 0.1023160 -0.2276422), wk = 0.0045455 k( 61) = ( 0.7174036 0.1092090 -0.2099994), wk = 0.0045455 k( 62) = ( 0.7075216 0.1161020 -0.1923567), wk = 0.0045455 k( 63) = ( 0.6976396 0.1229950 -0.1747139), wk = 0.0045455 k( 64) = ( 0.6877576 0.1298880 -0.1570711), wk = 0.0045455 k( 65) = ( 0.6778756 0.1367810 -0.1394283), wk = 0.0045455 k( 66) = ( 0.6679937 0.1436740 -0.1217855), wk = 0.0045455 k( 67) = ( 0.6581117 0.1505670 -0.1041427), wk = 0.0045455 k( 68) = ( 0.6482297 0.1574600 -0.0865000), wk = 0.0045455 k( 69) = ( 0.6383477 0.1643530 -0.0688572), wk = 0.0045455 k( 70) = ( 0.6284657 0.1712460 -0.0512144), wk = 0.0045455 k( 71) = ( 0.6185838 0.1781390 -0.0335716), wk = 0.0045455 k( 72) = ( 0.6087018 0.1850320 -0.0159288), wk = 0.0045455 k( 73) = ( 0.5988198 0.1919250 0.0017140), wk = 0.0045455 k( 74) = ( 0.5889378 0.1988180 0.0193567), wk = 0.0045455 k( 75) = ( 0.5790558 0.2057110 0.0369995), wk = 0.0045455 k( 76) = ( 0.5691739 0.2126040 0.0546423), wk = 0.0045455 k( 77) = ( 0.5592919 0.2194970 0.0722851), wk = 0.0045455 k( 78) = ( 0.5494099 0.2263900 0.0899279), wk = 0.0045455 k( 79) = ( 0.5395279 0.2332830 0.1075707), wk = 0.0045455 k( 80) = ( 0.5296459 0.2401760 0.1252135), wk = 0.0045455 k( 81) = ( 0.5197640 0.2470690 0.1428562), wk = 0.0045455 k( 82) = ( 0.5098820 0.2539620 0.1604990), wk = 0.0045455 k( 83) = ( 0.5000000 0.2608550 0.1781418), wk = 0.0045455 k( 84) = ( 0.5000000 0.2608550 0.1781418), wk = 0.0045455 k( 85) = ( 0.4814815 0.2511937 0.1715440), wk = 0.0045455 k( 86) = ( 0.4629630 0.2415324 0.1649461), wk = 0.0045455 k( 87) = ( 0.4444444 0.2318711 0.1583483), wk = 0.0045455 k( 88) = ( 0.4259259 0.2222098 0.1517504), wk = 0.0045455 k( 89) = ( 0.4074074 0.2125485 0.1451526), wk = 0.0045455 k( 90) = ( 0.3888889 0.2028872 0.1385547), wk = 0.0045455 k( 91) = ( 0.3703704 0.1932259 0.1319569), wk = 0.0045455 k( 92) = ( 0.3518519 0.1835646 0.1253590), wk = 0.0045455 k( 93) = ( 0.3333333 0.1739033 0.1187612), wk = 0.0045455 k( 94) = ( 0.3148148 0.1642420 0.1121634), wk = 0.0045455 k( 95) = ( 0.2962963 0.1545807 0.1055655), wk = 0.0045455 k( 96) = ( 0.2777778 0.1449194 0.0989677), wk = 0.0045455 k( 97) = ( 0.2592593 0.1352581 0.0923698), wk = 0.0045455 k( 98) = ( 0.2407407 0.1255968 0.0857720), wk = 0.0045455 k( 99) = ( 0.2222222 0.1159355 0.0791741), wk = 0.0045455 k( 100) = ( 0.2037037 0.1062742 0.0725763), wk = 0.0045455 k( 101) = ( 0.1851852 0.0966130 0.0659784), wk = 0.0045455 k( 102) = ( 0.1666667 0.0869517 0.0593806), wk = 0.0045455 k( 103) = ( 0.1481482 0.0772904 0.0527828), wk = 0.0045455 k( 104) = ( 0.1296296 0.0676291 0.0461849), wk = 0.0045455 k( 105) = ( 0.1111111 0.0579678 0.0395871), wk = 0.0045455 k( 106) = ( 0.0925926 0.0483065 0.0329892), wk = 0.0045455 k( 107) = ( 0.0740741 0.0386452 0.0263914), wk = 0.0045455 k( 108) = ( 0.0555556 0.0289839 0.0197935), wk = 0.0045455 k( 109) = ( 0.0370370 0.0193226 0.0131957), wk = 0.0045455 k( 110) = ( 0.0185185 0.0096613 0.0065978), wk = 0.0045455 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 113) = ( 0.0099079 -0.0069111 -0.0176891), wk = 0.0045455 k( 114) = ( 0.0198158 -0.0138222 -0.0353782), wk = 0.0045455 k( 115) = ( 0.0297238 -0.0207333 -0.0530673), wk = 0.0045455 k( 116) = ( 0.0396317 -0.0276444 -0.0707564), wk = 0.0045455 k( 117) = ( 0.0495396 -0.0345555 -0.0884455), wk = 0.0045455 k( 118) = ( 0.0594476 -0.0414666 -0.1061346), wk = 0.0045455 k( 119) = ( 0.0693555 -0.0483777 -0.1238237), wk = 0.0045455 k( 120) = ( 0.0792634 -0.0552888 -0.1415129), wk = 0.0045455 k( 121) = ( 0.0891713 -0.0621999 -0.1592020), wk = 0.0045455 k( 122) = ( 0.0990793 -0.0691110 -0.1768911), wk = 0.0045455 k( 123) = ( 0.1089872 -0.0760221 -0.1945802), wk = 0.0045455 k( 124) = ( 0.1188951 -0.0829332 -0.2122693), wk = 0.0045455 k( 125) = ( 0.1288030 -0.0898442 -0.2299584), wk = 0.0045455 k( 126) = ( 0.1387110 -0.0967553 -0.2476475), wk = 0.0045455 k( 127) = ( 0.1486189 -0.1036664 -0.2653366), wk = 0.0045455 k( 128) = ( 0.1585268 -0.1105775 -0.2830257), wk = 0.0045455 k( 129) = ( 0.1684347 -0.1174886 -0.3007148), wk = 0.0045455 k( 130) = ( 0.1783427 -0.1243997 -0.3184039), wk = 0.0045455 k( 131) = ( 0.1882506 -0.1313108 -0.3360930), wk = 0.0045455 k( 132) = ( 0.1981585 -0.1382219 -0.3537822), wk = 0.0045455 k( 133) = ( 0.2080664 -0.1451330 -0.3714713), wk = 0.0045455 k( 134) = ( 0.2179744 -0.1520441 -0.3891604), wk = 0.0045455 k( 135) = ( 0.2278823 -0.1589552 -0.4068495), wk = 0.0045455 k( 136) = ( 0.2377902 -0.1658663 -0.4245386), wk = 0.0045455 k( 137) = ( 0.2476982 -0.1727774 -0.4422277), wk = 0.0045455 k( 138) = ( 0.2576061 -0.1796885 -0.4599168), wk = 0.0045455 k( 139) = ( 0.2675140 -0.1865996 -0.4776059), wk = 0.0045455 k( 140) = ( 0.2774219 -0.1935107 -0.4952950), wk = 0.0045455 k( 141) = ( 0.2873299 -0.2004218 -0.5129841), wk = 0.0045455 k( 142) = ( 0.2972378 -0.2073329 -0.5306732), wk = 0.0045455 k( 143) = ( 0.3071457 -0.2142440 -0.5483623), wk = 0.0045455 k( 144) = ( 0.3170536 -0.2211551 -0.5660514), wk = 0.0045455 k( 145) = ( 0.3269616 -0.2280662 -0.5837405), wk = 0.0045455 k( 146) = ( 0.3368695 -0.2349773 -0.6014296), wk = 0.0045455 k( 147) = ( 0.3467774 -0.2418884 -0.6191188), wk = 0.0045455 k( 148) = ( 0.3566854 -0.2487994 -0.6368079), wk = 0.0045455 k( 149) = ( 0.3665933 -0.2557105 -0.6544970), wk = 0.0045455 k( 150) = ( 0.6334067 0.0051444 -0.4763552), wk = 0.0045455 k( 151) = ( 0.6238777 0.0234095 -0.4763552), wk = 0.0045455 k( 152) = ( 0.6143486 0.0416745 -0.4763552), wk = 0.0045455 k( 153) = ( 0.6048196 0.0599395 -0.4763552), wk = 0.0045455 k( 154) = ( 0.5952905 0.0782046 -0.4763552), wk = 0.0045455 k( 155) = ( 0.5857615 0.0964696 -0.4763552), wk = 0.0045455 k( 156) = ( 0.5762324 0.1147346 -0.4763552), wk = 0.0045455 k( 157) = ( 0.5667034 0.1329997 -0.4763552), wk = 0.0045455 k( 158) = ( 0.5571743 0.1512647 -0.4763552), wk = 0.0045455 k( 159) = ( 0.5476453 0.1695298 -0.4763552), wk = 0.0045455 k( 160) = ( 0.5381162 0.1877948 -0.4763552), wk = 0.0045455 k( 161) = ( 0.5285872 0.2060598 -0.4763552), wk = 0.0045455 k( 162) = ( 0.5190581 0.2243249 -0.4763552), wk = 0.0045455 k( 163) = ( 0.5095291 0.2425899 -0.4763552), wk = 0.0045455 k( 164) = ( 0.5000000 0.2608550 -0.4763552), wk = 0.0045455 k( 165) = ( 0.5000000 0.2608550 -0.4763552), wk = 0.0045455 k( 166) = ( 0.5121279 0.2671822 -0.4601604), wk = 0.0045455 k( 167) = ( 0.5242558 0.2735094 -0.4439658), wk = 0.0045455 k( 168) = ( 0.5363836 0.2798367 -0.4277710), wk = 0.0045455 k( 169) = ( 0.5485115 0.2861639 -0.4115763), wk = 0.0045455 k( 170) = ( 0.5606394 0.2924912 -0.3953816), wk = 0.0045455 k( 171) = ( 0.5727673 0.2988184 -0.3791869), wk = 0.0045455 k( 172) = ( 0.5848952 0.3051456 -0.3629922), wk = 0.0045455 k( 173) = ( 0.5970231 0.3114729 -0.3467975), wk = 0.0045455 k( 174) = ( 0.6091510 0.3178001 -0.3306028), wk = 0.0045455 k( 175) = ( 0.6212788 0.3241273 -0.3144081), wk = 0.0045455 k( 176) = ( 0.6334067 0.3304546 -0.2982134), wk = 0.0045455 k( 177) = ( 0.6334067 0.3304546 -0.2982134), wk = 0.0045455 k( 178) = ( 0.6276064 0.3274285 -0.2775023), wk = 0.0045455 k( 179) = ( 0.6218061 0.3244024 -0.2567912), wk = 0.0045455 k( 180) = ( 0.6160058 0.3213764 -0.2360801), wk = 0.0045455 k( 181) = ( 0.6102056 0.3183503 -0.2153690), wk = 0.0045455 k( 182) = ( 0.6044053 0.3153242 -0.1946579), wk = 0.0045455 k( 183) = ( 0.5986050 0.3122982 -0.1739468), wk = 0.0045455 k( 184) = ( 0.5928047 0.3092721 -0.1532357), wk = 0.0045455 k( 185) = ( 0.5870044 0.3062460 -0.1325246), wk = 0.0045455 k( 186) = ( 0.5812041 0.3032200 -0.1118135), wk = 0.0045455 k( 187) = ( 0.5754038 0.3001939 -0.0911024), wk = 0.0045455 k( 188) = ( 0.5696035 0.2971678 -0.0703913), wk = 0.0045455 k( 189) = ( 0.5638032 0.2941417 -0.0496802), wk = 0.0045455 k( 190) = ( 0.5580029 0.2911157 -0.0289691), wk = 0.0045455 k( 191) = ( 0.5522026 0.2880896 -0.0082580), wk = 0.0045455 k( 192) = ( 0.5464023 0.2850635 0.0124531), wk = 0.0045455 k( 193) = ( 0.5406020 0.2820375 0.0331641), wk = 0.0045455 k( 194) = ( 0.5348018 0.2790114 0.0538752), wk = 0.0045455 k( 195) = ( 0.5290015 0.2759853 0.0745863), wk = 0.0045455 k( 196) = ( 0.5232012 0.2729592 0.0952974), wk = 0.0045455 k( 197) = ( 0.5174009 0.2699332 0.1160085), wk = 0.0045455 k( 198) = ( 0.5116006 0.2669071 0.1367196), wk = 0.0045455 k( 199) = ( 0.5058003 0.2638810 0.1574307), wk = 0.0045455 k( 200) = ( 0.5000000 0.2608550 0.1781418), wk = 0.0045455 k( 201) = ( 0.5000000 -0.3487660 -0.2381776), wk = 0.0045455 k( 202) = ( 0.5140428 -0.3350368 -0.2288017), wk = 0.0045455 k( 203) = ( 0.5280856 -0.3213076 -0.2194258), wk = 0.0045455 k( 204) = ( 0.5421284 -0.3075784 -0.2100499), wk = 0.0045455 k( 205) = ( 0.5561713 -0.2938492 -0.2006740), wk = 0.0045455 k( 206) = ( 0.5702141 -0.2801200 -0.1912982), wk = 0.0045455 k( 207) = ( 0.5842569 -0.2663907 -0.1819223), wk = 0.0045455 k( 208) = ( 0.5982997 -0.2526615 -0.1725464), wk = 0.0045455 k( 209) = ( 0.6123425 -0.2389323 -0.1631705), wk = 0.0045455 k( 210) = ( 0.6263853 -0.2252031 -0.1537946), wk = 0.0045455 k( 211) = ( 0.6404281 -0.2114739 -0.1444187), wk = 0.0045455 k( 212) = ( 0.6544709 -0.1977447 -0.1350429), wk = 0.0045455 k( 213) = ( 0.6685138 -0.1840155 -0.1256670), wk = 0.0045455 k( 214) = ( 0.6825566 -0.1702863 -0.1162911), wk = 0.0045455 k( 215) = ( 0.6965994 -0.1565571 -0.1069152), wk = 0.0045455 k( 216) = ( 0.7106422 -0.1428279 -0.0975393), wk = 0.0045455 k( 217) = ( 0.7246850 -0.1290987 -0.0881634), wk = 0.0045455 k( 218) = ( 0.7387278 -0.1153695 -0.0787875), wk = 0.0045455 k( 219) = ( 0.7527706 -0.1016402 -0.0694117), wk = 0.0045455 k( 220) = ( 0.7668135 -0.0879110 -0.0600358), wk = 0.0045455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 4) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 5) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0045455 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 7) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 8) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 9) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0045455 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 13) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 14) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 15) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 17) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0045455 k( 18) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 23) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0045455 k( 24) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 25) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 26) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 27) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 29) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0045455 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 31) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 33) = ( 0.5000000 0.0101385 -0.0101386), wk = 0.0045455 k( 34) = ( 0.5000000 0.0202771 -0.0202771), wk = 0.0045455 k( 35) = ( 0.5000000 0.0304156 -0.0304156), wk = 0.0045455 k( 36) = ( 0.5000000 0.0405542 -0.0405542), wk = 0.0045455 k( 37) = ( 0.5000000 0.0506927 -0.0506927), wk = 0.0045455 k( 38) = ( 0.5000000 0.0608313 -0.0608313), wk = 0.0045455 k( 39) = ( 0.5000000 0.0709698 -0.0709698), wk = 0.0045455 k( 40) = ( 0.5000000 0.0811084 -0.0811084), wk = 0.0045455 k( 41) = ( 0.5000000 0.0912469 -0.0912469), wk = 0.0045455 k( 42) = ( 0.5000000 0.1013854 -0.1013855), wk = 0.0045455 k( 43) = ( 0.5000000 0.1115240 -0.1115240), wk = 0.0045455 k( 44) = ( 0.5000000 0.1216625 -0.1216625), wk = 0.0045455 k( 45) = ( 0.5000000 0.1318011 -0.1318011), wk = 0.0045455 k( 46) = ( 0.5000000 0.1419396 -0.1419396), wk = 0.0045455 k( 47) = ( 0.5000000 0.1520782 -0.1520782), wk = 0.0045455 k( 48) = ( 0.5000000 0.1622167 -0.1622167), wk = 0.0045455 k( 49) = ( 0.5000000 0.1723553 -0.1723553), wk = 0.0045455 k( 50) = ( 0.5000000 0.1824938 -0.1824938), wk = 0.0045455 k( 51) = ( 0.5000000 0.1926324 -0.1926324), wk = 0.0045455 k( 52) = ( 0.5000000 0.2027709 -0.2027709), wk = 0.0045455 k( 53) = ( 0.5000000 0.2129094 -0.2129095), wk = 0.0045455 k( 54) = ( 0.5000000 0.2230480 -0.2230480), wk = 0.0045455 k( 55) = ( 0.5000000 0.2331865 -0.2331865), wk = 0.0045455 k( 56) = ( 0.7668135 0.5000000 0.2331865), wk = 0.0045455 k( 57) = ( 0.7569315 0.5000000 0.2430685), wk = 0.0045455 k( 58) = ( 0.7470495 0.5000000 0.2529505), wk = 0.0045455 k( 59) = ( 0.7371675 0.5000000 0.2628325), wk = 0.0045455 k( 60) = ( 0.7272855 0.5000000 0.2727145), wk = 0.0045455 k( 61) = ( 0.7174036 0.5000000 0.2825964), wk = 0.0045455 k( 62) = ( 0.7075216 0.5000000 0.2924784), wk = 0.0045455 k( 63) = ( 0.6976396 0.5000000 0.3023604), wk = 0.0045455 k( 64) = ( 0.6877576 0.5000000 0.3122424), wk = 0.0045455 k( 65) = ( 0.6778756 0.5000000 0.3221244), wk = 0.0045455 k( 66) = ( 0.6679937 0.5000000 0.3320063), wk = 0.0045455 k( 67) = ( 0.6581117 0.5000000 0.3418883), wk = 0.0045455 k( 68) = ( 0.6482297 0.5000000 0.3517703), wk = 0.0045455 k( 69) = ( 0.6383477 0.5000000 0.3616523), wk = 0.0045455 k( 70) = ( 0.6284657 0.5000000 0.3715343), wk = 0.0045455 k( 71) = ( 0.6185838 0.5000000 0.3814162), wk = 0.0045455 k( 72) = ( 0.6087018 0.5000000 0.3912982), wk = 0.0045455 k( 73) = ( 0.5988198 0.5000000 0.4011802), wk = 0.0045455 k( 74) = ( 0.5889378 0.5000000 0.4110622), wk = 0.0045455 k( 75) = ( 0.5790558 0.5000000 0.4209442), wk = 0.0045455 k( 76) = ( 0.5691739 0.5000000 0.4308261), wk = 0.0045455 k( 77) = ( 0.5592919 0.5000000 0.4407081), wk = 0.0045455 k( 78) = ( 0.5494099 0.5000000 0.4505901), wk = 0.0045455 k( 79) = ( 0.5395279 0.5000000 0.4604721), wk = 0.0045455 k( 80) = ( 0.5296459 0.5000000 0.4703541), wk = 0.0045455 k( 81) = ( 0.5197640 0.5000000 0.4802360), wk = 0.0045455 k( 82) = ( 0.5098820 0.5000000 0.4901180), wk = 0.0045455 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 85) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0045455 k( 86) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0045455 k( 87) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0045455 k( 88) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0045455 k( 89) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0045455 k( 90) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0045455 k( 91) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0045455 k( 92) = ( 0.3518519 0.3518519 0.3518518), wk = 0.0045455 k( 93) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045455 k( 94) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0045455 k( 95) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0045455 k( 96) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0045455 k( 97) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0045455 k( 98) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0045455 k( 99) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0045455 k( 100) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0045455 k( 101) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0045455 k( 102) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045455 k( 103) = ( 0.1481482 0.1481482 0.1481481), wk = 0.0045455 k( 104) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0045455 k( 105) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0045455 k( 106) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0045455 k( 107) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0045455 k( 108) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0045455 k( 109) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0045455 k( 110) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0045455 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 113) = ( 0.0099079 -0.0000000 -0.0099079), wk = 0.0045455 k( 114) = ( 0.0198158 -0.0000000 -0.0198159), wk = 0.0045455 k( 115) = ( 0.0297238 -0.0000000 -0.0297238), wk = 0.0045455 k( 116) = ( 0.0396317 -0.0000000 -0.0396317), wk = 0.0045455 k( 117) = ( 0.0495396 -0.0000000 -0.0495396), wk = 0.0045455 k( 118) = ( 0.0594476 -0.0000000 -0.0594476), wk = 0.0045455 k( 119) = ( 0.0693555 -0.0000000 -0.0693555), wk = 0.0045455 k( 120) = ( 0.0792634 -0.0000000 -0.0792634), wk = 0.0045455 k( 121) = ( 0.0891713 -0.0000000 -0.0891713), wk = 0.0045455 k( 122) = ( 0.0990793 -0.0000000 -0.0990793), wk = 0.0045455 k( 123) = ( 0.1089872 -0.0000000 -0.1089872), wk = 0.0045455 k( 124) = ( 0.1188951 -0.0000000 -0.1188951), wk = 0.0045455 k( 125) = ( 0.1288030 -0.0000000 -0.1288030), wk = 0.0045455 k( 126) = ( 0.1387110 -0.0000000 -0.1387110), wk = 0.0045455 k( 127) = ( 0.1486189 -0.0000000 -0.1486189), wk = 0.0045455 k( 128) = ( 0.1585268 -0.0000000 -0.1585268), wk = 0.0045455 k( 129) = ( 0.1684347 -0.0000000 -0.1684348), wk = 0.0045455 k( 130) = ( 0.1783427 -0.0000000 -0.1783427), wk = 0.0045455 k( 131) = ( 0.1882506 -0.0000000 -0.1882506), wk = 0.0045455 k( 132) = ( 0.1981585 -0.0000000 -0.1981585), wk = 0.0045455 k( 133) = ( 0.2080664 -0.0000000 -0.2080665), wk = 0.0045455 k( 134) = ( 0.2179744 -0.0000000 -0.2179744), wk = 0.0045455 k( 135) = ( 0.2278823 -0.0000000 -0.2278823), wk = 0.0045455 k( 136) = ( 0.2377902 -0.0000000 -0.2377902), wk = 0.0045455 k( 137) = ( 0.2476982 -0.0000000 -0.2476982), wk = 0.0045455 k( 138) = ( 0.2576061 -0.0000000 -0.2576061), wk = 0.0045455 k( 139) = ( 0.2675140 -0.0000000 -0.2675140), wk = 0.0045455 k( 140) = ( 0.2774219 -0.0000000 -0.2774219), wk = 0.0045455 k( 141) = ( 0.2873299 -0.0000000 -0.2873299), wk = 0.0045455 k( 142) = ( 0.2972378 -0.0000000 -0.2972378), wk = 0.0045455 k( 143) = ( 0.3071457 -0.0000000 -0.3071457), wk = 0.0045455 k( 144) = ( 0.3170536 -0.0000000 -0.3170536), wk = 0.0045455 k( 145) = ( 0.3269616 -0.0000000 -0.3269616), wk = 0.0045455 k( 146) = ( 0.3368695 -0.0000000 -0.3368695), wk = 0.0045455 k( 147) = ( 0.3467774 -0.0000000 -0.3467774), wk = 0.0045455 k( 148) = ( 0.3566854 -0.0000000 -0.3566854), wk = 0.0045455 k( 149) = ( 0.3665933 -0.0000000 -0.3665933), wk = 0.0045455 k( 150) = ( 0.6334067 0.3665933 -0.0000000), wk = 0.0045455 k( 151) = ( 0.6238777 0.3761223 -0.0000000), wk = 0.0045455 k( 152) = ( 0.6143486 0.3856514 -0.0000000), wk = 0.0045455 k( 153) = ( 0.6048196 0.3951804 -0.0000000), wk = 0.0045455 k( 154) = ( 0.5952905 0.4047095 -0.0000000), wk = 0.0045455 k( 155) = ( 0.5857615 0.4142385 -0.0000000), wk = 0.0045455 k( 156) = ( 0.5762324 0.4237676 -0.0000000), wk = 0.0045455 k( 157) = ( 0.5667034 0.4332966 -0.0000000), wk = 0.0045455 k( 158) = ( 0.5571743 0.4428257 -0.0000000), wk = 0.0045455 k( 159) = ( 0.5476453 0.4523547 -0.0000000), wk = 0.0045455 k( 160) = ( 0.5381162 0.4618838 -0.0000000), wk = 0.0045455 k( 161) = ( 0.5285872 0.4714128 -0.0000000), wk = 0.0045455 k( 162) = ( 0.5190581 0.4809419 -0.0000000), wk = 0.0045455 k( 163) = ( 0.5095291 0.4904710 -0.0000000), wk = 0.0045455 k( 164) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045455 k( 165) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045455 k( 166) = ( 0.5121279 0.5121279 0.0211988), wk = 0.0045455 k( 167) = ( 0.5242558 0.5242558 0.0423975), wk = 0.0045455 k( 168) = ( 0.5363836 0.5363836 0.0635963), wk = 0.0045455 k( 169) = ( 0.5485115 0.5485115 0.0847951), wk = 0.0045455 k( 170) = ( 0.5606394 0.5606394 0.1059939), wk = 0.0045455 k( 171) = ( 0.5727673 0.5727673 0.1271927), wk = 0.0045455 k( 172) = ( 0.5848952 0.5848952 0.1483914), wk = 0.0045455 k( 173) = ( 0.5970231 0.5970231 0.1695902), wk = 0.0045455 k( 174) = ( 0.6091510 0.6091510 0.1907890), wk = 0.0045455 k( 175) = ( 0.6212788 0.6212788 0.2119878), wk = 0.0045455 k( 176) = ( 0.6334067 0.6334067 0.2331865), wk = 0.0045455 k( 177) = ( 0.6334067 0.6334067 0.2331865), wk = 0.0045455 k( 178) = ( 0.6276064 0.6276064 0.2447871), wk = 0.0045455 k( 179) = ( 0.6218061 0.6218061 0.2563877), wk = 0.0045455 k( 180) = ( 0.6160058 0.6160058 0.2679883), wk = 0.0045455 k( 181) = ( 0.6102056 0.6102056 0.2795889), wk = 0.0045455 k( 182) = ( 0.6044053 0.6044053 0.2911895), wk = 0.0045455 k( 183) = ( 0.5986050 0.5986050 0.3027900), wk = 0.0045455 k( 184) = ( 0.5928047 0.5928047 0.3143906), wk = 0.0045455 k( 185) = ( 0.5870044 0.5870044 0.3259912), wk = 0.0045455 k( 186) = ( 0.5812041 0.5812041 0.3375918), wk = 0.0045455 k( 187) = ( 0.5754038 0.5754038 0.3491924), wk = 0.0045455 k( 188) = ( 0.5696035 0.5696035 0.3607930), wk = 0.0045455 k( 189) = ( 0.5638032 0.5638032 0.3723936), wk = 0.0045455 k( 190) = ( 0.5580029 0.5580029 0.3839941), wk = 0.0045455 k( 191) = ( 0.5522026 0.5522026 0.3955947), wk = 0.0045455 k( 192) = ( 0.5464023 0.5464023 0.4071953), wk = 0.0045455 k( 193) = ( 0.5406020 0.5406020 0.4187959), wk = 0.0045455 k( 194) = ( 0.5348018 0.5348018 0.4303965), wk = 0.0045455 k( 195) = ( 0.5290015 0.5290015 0.4419971), wk = 0.0045455 k( 196) = ( 0.5232012 0.5232012 0.4535977), wk = 0.0045455 k( 197) = ( 0.5174009 0.5174009 0.4651982), wk = 0.0045455 k( 198) = ( 0.5116006 0.5116006 0.4767988), wk = 0.0045455 k( 199) = ( 0.5058003 0.5058003 0.4883994), wk = 0.0045455 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 201) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 202) = ( 0.5140428 0.0192944 0.0192944), wk = 0.0045455 k( 203) = ( 0.5280856 0.0385888 0.0385888), wk = 0.0045455 k( 204) = ( 0.5421284 0.0578831 0.0578831), wk = 0.0045455 k( 205) = ( 0.5561713 0.0771775 0.0771775), wk = 0.0045455 k( 206) = ( 0.5702141 0.0964719 0.0964719), wk = 0.0045455 k( 207) = ( 0.5842569 0.1157663 0.1157663), wk = 0.0045455 k( 208) = ( 0.5982997 0.1350607 0.1350607), wk = 0.0045455 k( 209) = ( 0.6123425 0.1543551 0.1543551), wk = 0.0045455 k( 210) = ( 0.6263853 0.1736494 0.1736494), wk = 0.0045455 k( 211) = ( 0.6404281 0.1929438 0.1929438), wk = 0.0045455 k( 212) = ( 0.6544709 0.2122382 0.2122382), wk = 0.0045455 k( 213) = ( 0.6685138 0.2315326 0.2315326), wk = 0.0045455 k( 214) = ( 0.6825566 0.2508270 0.2508270), wk = 0.0045455 k( 215) = ( 0.6965994 0.2701214 0.2701214), wk = 0.0045455 k( 216) = ( 0.7106422 0.2894157 0.2894157), wk = 0.0045455 k( 217) = ( 0.7246850 0.3087101 0.3087101), wk = 0.0045455 k( 218) = ( 0.7387278 0.3280045 0.3280045), wk = 0.0045455 k( 219) = ( 0.7527706 0.3472989 0.3472989), wk = 0.0045455 k( 220) = ( 0.7668135 0.3665933 0.3665933), wk = 0.0045455 Dense grid: 170671 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 79043 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 280, 68) NL pseudopotentials 0.25 Mb ( 140, 118) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.02 Mb ( 2371) G-vector shells 0.02 Mb ( 2156) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 280, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.24 Mb ( 118, 2, 68) The potential is recalculated from file : ./WBr6.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 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.6 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.3 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.9 secs Computing kpt #: 13 total cpu time spent up to now is 16.7 secs Computing kpt #: 14 total cpu time spent up to now is 17.6 secs Computing kpt #: 15 total cpu time spent up to now is 18.5 secs Computing kpt #: 16 total cpu time spent up to now is 19.5 secs Computing kpt #: 17 total cpu time spent up to now is 20.4 secs Computing kpt #: 18 total cpu time spent up to now is 21.4 secs Computing kpt #: 19 total cpu time spent up to now is 22.4 secs Computing kpt #: 20 total cpu time spent up to now is 23.4 secs Computing kpt #: 21 total cpu time spent up to now is 24.6 secs Computing kpt #: 22 total cpu time spent up to now is 25.7 secs Computing kpt #: 23 total cpu time spent up to now is 26.9 secs Computing kpt #: 24 total cpu time spent up to now is 28.1 secs Computing kpt #: 25 total cpu time spent up to now is 29.3 secs Computing kpt #: 26 total cpu time spent up to now is 30.4 secs Computing kpt #: 27 total cpu time spent up to now is 31.5 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 33.7 secs Computing kpt #: 30 total cpu time spent up to now is 34.9 secs Computing kpt #: 31 total cpu time spent up to now is 36.0 secs Computing kpt #: 32 total cpu time spent up to now is 37.0 secs Computing kpt #: 33 total cpu time spent up to now is 38.0 secs Computing kpt #: 34 total cpu time spent up to now is 39.1 secs Computing kpt #: 35 total cpu time spent up to now is 40.1 secs Computing kpt #: 36 total cpu time spent up to now is 41.2 secs Computing kpt #: 37 total cpu time spent up to now is 42.4 secs Computing kpt #: 38 total cpu time spent up to now is 43.5 secs Computing kpt #: 39 total cpu time spent up to now is 44.6 secs Computing kpt #: 40 total cpu time spent up to now is 45.6 secs Computing kpt #: 41 total cpu time spent up to now is 46.6 secs Computing kpt #: 42 total cpu time spent up to now is 47.5 secs Computing kpt #: 43 total cpu time spent up to now is 48.5 secs Computing kpt #: 44 total cpu time spent up to now is 49.5 secs Computing kpt #: 45 total cpu time spent up to now is 50.5 secs Computing kpt #: 46 total cpu time spent up to now is 51.5 secs Computing kpt #: 47 total cpu time spent up to now is 52.5 secs Computing kpt #: 48 total cpu time spent up to now is 53.5 secs Computing kpt #: 49 total cpu time spent up to now is 54.5 secs Computing kpt #: 50 total cpu time spent up to now is 55.4 secs Computing kpt #: 51 total cpu time spent up to now is 56.3 secs Computing kpt #: 52 total cpu time spent up to now is 57.3 secs Computing kpt #: 53 total cpu time spent up to now is 58.3 secs Computing kpt #: 54 total cpu time spent up to now is 59.3 secs Computing kpt #: 55 total cpu time spent up to now is 60.3 secs Computing kpt #: 56 total cpu time spent up to now is 61.2 secs Computing kpt #: 57 total cpu time spent up to now is 62.2 secs Computing kpt #: 58 total cpu time spent up to now is 63.2 secs Computing kpt #: 59 total cpu time spent up to now is 64.1 secs Computing kpt #: 60 total cpu time spent up to now is 65.0 secs Computing kpt #: 61 total cpu time spent up to now is 66.0 secs Computing kpt #: 62 total cpu time spent up to now is 66.9 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.8 secs Computing kpt #: 65 total cpu time spent up to now is 69.8 secs Computing kpt #: 66 total cpu time spent up to now is 71.0 secs Computing kpt #: 67 total cpu time spent up to now is 72.0 secs Computing kpt #: 68 total cpu time spent up to now is 72.9 secs Computing kpt #: 69 total cpu time spent up to now is 73.8 secs Computing kpt #: 70 total cpu time spent up to now is 74.8 secs Computing kpt #: 71 total cpu time spent up to now is 75.8 secs Computing kpt #: 72 total cpu time spent up to now is 76.7 secs Computing kpt #: 73 total cpu time spent up to now is 77.7 secs Computing kpt #: 74 total cpu time spent up to now is 78.7 secs Computing kpt #: 75 total cpu time spent up to now is 79.7 secs Computing kpt #: 76 total cpu time spent up to now is 80.6 secs Computing kpt #: 77 total cpu time spent up to now is 81.6 secs Computing kpt #: 78 total cpu time spent up to now is 82.6 secs Computing kpt #: 79 total cpu time spent up to now is 83.6 secs Computing kpt #: 80 total cpu time spent up to now is 84.6 secs Computing kpt #: 81 total cpu time spent up to now is 85.5 secs Computing kpt #: 82 total cpu time spent up to now is 86.5 secs Computing kpt #: 83 total cpu time spent up to now is 87.5 secs Computing kpt #: 84 total cpu time spent up to now is 88.4 secs Computing kpt #: 85 total cpu time spent up to now is 89.4 secs Computing kpt #: 86 total cpu time spent up to now is 90.6 secs Computing kpt #: 87 total cpu time spent up to now is 91.7 secs Computing kpt #: 88 total cpu time spent up to now is 92.9 secs Computing kpt #: 89 total cpu time spent up to now is 94.0 secs Computing kpt #: 90 total cpu time spent up to now is 95.2 secs Computing kpt #: 91 total cpu time spent up to now is 96.4 secs Computing kpt #: 92 total cpu time spent up to now is 97.5 secs Computing kpt #: 93 total cpu time spent up to now is 98.6 secs Computing kpt #: 94 total cpu time spent up to now is 99.8 secs Computing kpt #: 95 total cpu time spent up to now is 100.9 secs Computing kpt #: 96 total cpu time spent up to now is 101.9 secs Computing kpt #: 97 total cpu time spent up to now is 102.9 secs Computing kpt #: 98 total cpu time spent up to now is 103.8 secs Computing kpt #: 99 total cpu time spent up to now is 104.8 secs Computing kpt #: 100 total cpu time spent up to now is 106.1 secs Computing kpt #: 101 total cpu time spent up to now is 107.1 secs Computing kpt #: 102 total cpu time spent up to now is 108.0 secs Computing kpt #: 103 total cpu time spent up to now is 108.9 secs Computing kpt #: 104 total cpu time spent up to now is 109.8 secs Computing kpt #: 105 total cpu time spent up to now is 110.9 secs Computing kpt #: 106 total cpu time spent up to now is 111.9 secs Computing kpt #: 107 total cpu time spent up to now is 112.8 secs Computing kpt #: 108 total cpu time spent up to now is 113.6 secs Computing kpt #: 109 total cpu time spent up to now is 114.5 secs Computing kpt #: 110 total cpu time spent up to now is 115.3 secs Computing kpt #: 111 total cpu time spent up to now is 116.2 secs Computing kpt #: 112 total cpu time spent up to now is 117.1 secs Computing kpt #: 113 total cpu time spent up to now is 118.0 secs Computing kpt #: 114 total cpu time spent up to now is 118.9 secs Computing kpt #: 115 total cpu time spent up to now is 120.0 secs Computing kpt #: 116 total cpu time spent up to now is 120.9 secs Computing kpt #: 117 total cpu time spent up to now is 121.8 secs Computing kpt #: 118 total cpu time spent up to now is 122.6 secs Computing kpt #: 119 total cpu time spent up to now is 123.5 secs Computing kpt #: 120 total cpu time spent up to now is 124.4 secs Computing kpt #: 121 total cpu time spent up to now is 125.3 secs Computing kpt #: 122 total cpu time spent up to now is 126.2 secs Computing kpt #: 123 total cpu time spent up to now is 127.1 secs Computing kpt #: 124 total cpu time spent up to now is 128.0 secs Computing kpt #: 125 total cpu time spent up to now is 128.9 secs Computing kpt #: 126 total cpu time spent up to now is 129.9 secs Computing kpt #: 127 total cpu time spent up to now is 130.9 secs Computing kpt #: 128 total cpu time spent up to now is 131.8 secs Computing kpt #: 129 total cpu time spent up to now is 132.9 secs Computing kpt #: 130 total cpu time spent up to now is 133.9 secs Computing kpt #: 131 total cpu time spent up to now is 135.0 secs Computing kpt #: 132 total cpu time spent up to now is 136.1 secs Computing kpt #: 133 total cpu time spent up to now is 137.2 secs Computing kpt #: 134 total cpu time spent up to now is 138.3 secs Computing kpt #: 135 total cpu time spent up to now is 139.6 secs Computing kpt #: 136 total cpu time spent up to now is 141.1 secs Computing kpt #: 137 total cpu time spent up to now is 142.1 secs Computing kpt #: 138 total cpu time spent up to now is 143.2 secs Computing kpt #: 139 total cpu time spent up to now is 144.2 secs Computing kpt #: 140 total cpu time spent up to now is 145.3 secs Computing kpt #: 141 total cpu time spent up to now is 146.3 secs Computing kpt #: 142 total cpu time spent up to now is 147.4 secs Computing kpt #: 143 total cpu time spent up to now is 148.4 secs Computing kpt #: 144 total cpu time spent up to now is 149.4 secs Computing kpt #: 145 total cpu time spent up to now is 150.4 secs Computing kpt #: 146 total cpu time spent up to now is 151.4 secs Computing kpt #: 147 total cpu time spent up to now is 152.5 secs Computing kpt #: 148 total cpu time spent up to now is 153.4 secs Computing kpt #: 149 total cpu time spent up to now is 154.4 secs Computing kpt #: 150 total cpu time spent up to now is 155.4 secs Computing kpt #: 151 total cpu time spent up to now is 156.4 secs Computing kpt #: 152 total cpu time spent up to now is 157.4 secs Computing kpt #: 153 total cpu time spent up to now is 158.4 secs Computing kpt #: 154 total cpu time spent up to now is 159.3 secs Computing kpt #: 155 total cpu time spent up to now is 160.3 secs Computing kpt #: 156 total cpu time spent up to now is 161.2 secs Computing kpt #: 157 total cpu time spent up to now is 162.2 secs Computing kpt #: 158 total cpu time spent up to now is 163.2 secs Computing kpt #: 159 total cpu time spent up to now is 164.2 secs Computing kpt #: 160 total cpu time spent up to now is 165.2 secs Computing kpt #: 161 total cpu time spent up to now is 166.2 secs Computing kpt #: 162 total cpu time spent up to now is 167.2 secs Computing kpt #: 163 total cpu time spent up to now is 168.2 secs Computing kpt #: 164 total cpu time spent up to now is 169.2 secs Computing kpt #: 165 total cpu time spent up to now is 170.3 secs Computing kpt #: 166 total cpu time spent up to now is 171.3 secs Computing kpt #: 167 total cpu time spent up to now is 172.3 secs Computing kpt #: 168 total cpu time spent up to now is 173.3 secs Computing kpt #: 169 total cpu time spent up to now is 174.4 secs Computing kpt #: 170 total cpu time spent up to now is 175.4 secs Computing kpt #: 171 total cpu time spent up to now is 176.5 secs Computing kpt #: 172 total cpu time spent up to now is 177.4 secs Computing kpt #: 173 total cpu time spent up to now is 178.4 secs Computing kpt #: 174 total cpu time spent up to now is 179.4 secs Computing kpt #: 175 total cpu time spent up to now is 180.4 secs Computing kpt #: 176 total cpu time spent up to now is 181.4 secs Computing kpt #: 177 total cpu time spent up to now is 182.4 secs Computing kpt #: 178 total cpu time spent up to now is 183.5 secs Computing kpt #: 179 total cpu time spent up to now is 184.5 secs Computing kpt #: 180 total cpu time spent up to now is 185.5 secs Computing kpt #: 181 total cpu time spent up to now is 186.5 secs Computing kpt #: 182 total cpu time spent up to now is 187.4 secs Computing kpt #: 183 total cpu time spent up to now is 188.4 secs Computing kpt #: 184 total cpu time spent up to now is 189.4 secs Computing kpt #: 185 total cpu time spent up to now is 190.5 secs Computing kpt #: 186 total cpu time spent up to now is 191.5 secs Computing kpt #: 187 total cpu time spent up to now is 192.5 secs Computing kpt #: 188 total cpu time spent up to now is 193.5 secs Computing kpt #: 189 total cpu time spent up to now is 194.5 secs Computing kpt #: 190 total cpu time spent up to now is 195.6 secs Computing kpt #: 191 total cpu time spent up to now is 196.6 secs Computing kpt #: 192 total cpu time spent up to now is 197.7 secs Computing kpt #: 193 total cpu time spent up to now is 198.7 secs Computing kpt #: 194 total cpu time spent up to now is 199.7 secs Computing kpt #: 195 total cpu time spent up to now is 200.7 secs Computing kpt #: 196 total cpu time spent up to now is 201.7 secs Computing kpt #: 197 total cpu time spent up to now is 202.6 secs Computing kpt #: 198 total cpu time spent up to now is 203.6 secs Computing kpt #: 199 total cpu time spent up to now is 204.6 secs Computing kpt #: 200 total cpu time spent up to now is 205.6 secs Computing kpt #: 201 total cpu time spent up to now is 206.6 secs Computing kpt #: 202 total cpu time spent up to now is 207.9 secs Computing kpt #: 203 total cpu time spent up to now is 209.1 secs Computing kpt #: 204 total cpu time spent up to now is 210.1 secs Computing kpt #: 205 total cpu time spent up to now is 211.3 secs Computing kpt #: 206 total cpu time spent up to now is 212.3 secs Computing kpt #: 207 total cpu time spent up to now is 213.4 secs Computing kpt #: 208 total cpu time spent up to now is 214.4 secs Computing kpt #: 209 total cpu time spent up to now is 215.5 secs Computing kpt #: 210 total cpu time spent up to now is 216.6 secs Computing kpt #: 211 total cpu time spent up to now is 217.6 secs Computing kpt #: 212 total cpu time spent up to now is 218.6 secs Computing kpt #: 213 total cpu time spent up to now is 219.7 secs Computing kpt #: 214 total cpu time spent up to now is 220.7 secs Computing kpt #: 215 total cpu time spent up to now is 221.8 secs Computing kpt #: 216 total cpu time spent up to now is 222.8 secs Computing kpt #: 217 total cpu time spent up to now is 223.7 secs Computing kpt #: 218 total cpu time spent up to now is 224.7 secs Computing kpt #: 219 total cpu time spent up to now is 225.7 secs Computing kpt #: 220 total cpu time spent up to now is 226.7 secs ethr = 1.79E-08, avg # of iterations = 18.1 total cpu time spent up to now is 226.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1691 -11.1691 -10.1942 -10.1942 -10.1941 -10.1941 -10.1232 -10.1232 -10.0198 -10.0198 -9.9820 -9.9820 -1.3311 -1.3311 -0.3702 -0.3702 -0.3268 -0.3268 -0.2573 -0.2573 0.1329 0.1329 0.2741 0.2741 0.4063 0.4063 0.4364 0.4364 0.7607 0.7607 1.7118 1.7118 2.2301 2.2301 2.8444 2.8444 2.9042 2.9042 3.0023 3.0023 3.0827 3.0827 3.1506 3.1506 3.6250 3.6250 3.7024 3.7024 4.3326 4.3326 4.7342 4.7342 5.0269 5.0269 8.0238 8.0238 8.0307 8.0307 9.5392 9.5392 k = 0.0167-0.0116-0.0079 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1686 -11.1686 -10.1944 -10.1944 -10.1942 -10.1942 -10.1231 -10.1231 -10.0200 -10.0200 -9.9823 -9.9823 -1.3306 -1.3306 -0.3700 -0.3700 -0.3267 -0.3267 -0.2573 -0.2573 0.1302 0.1302 0.2699 0.2699 0.4091 0.4091 0.4404 0.4404 0.7628 0.7628 1.7139 1.7139 2.2317 2.2317 2.8421 2.8421 2.9025 2.9025 3.0018 3.0018 3.0751 3.0751 3.1564 3.1564 3.6223 3.6223 3.7010 3.7010 4.3348 4.3348 4.7341 4.7341 5.0274 5.0274 8.0232 8.0232 8.0301 8.0301 9.5442 9.5442 k = 0.0333-0.0233-0.0159 ( 9897 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1669 -11.1669 -10.1951 -10.1951 -10.1944 -10.1944 -10.1230 -10.1230 -10.0207 -10.0207 -9.9833 -9.9833 -1.3291 -1.3291 -0.3694 -0.3694 -0.3263 -0.3263 -0.2573 -0.2573 0.1227 0.1227 0.2588 0.2588 0.4139 0.4139 0.4538 0.4538 0.7693 0.7693 1.7203 1.7203 2.2363 2.2363 2.8346 2.8346 2.8980 2.8980 2.9998 2.9998 3.0580 3.0580 3.1689 3.1689 3.6143 3.6143 3.6970 3.6970 4.3410 4.3410 4.7341 4.7341 5.0288 5.0288 8.0208 8.0208 8.0284 8.0284 9.5590 9.5590 k = 0.0500-0.0349-0.0238 ( 9901 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1641 -11.1641 -10.1963 -10.1963 -10.1947 -10.1947 -10.1228 -10.1228 -10.0219 -10.0219 -9.9848 -9.9848 -1.3266 -1.3266 -0.3686 -0.3686 -0.3256 -0.3256 -0.2572 -0.2572 0.1114 0.1114 0.2437 0.2437 0.4171 0.4171 0.4767 0.4767 0.7798 0.7798 1.7309 1.7309 2.2439 2.2439 2.8207 2.8207 2.8926 2.8926 2.9943 2.9943 3.0385 3.0385 3.1822 3.1822 3.6010 3.6010 3.6910 3.6910 4.3510 4.3510 4.7338 4.7338 5.0311 5.0311 8.0159 8.0159 8.0267 8.0267 9.5836 9.5836 k = 0.0667-0.0465-0.0318 ( 9899 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1602 -11.1602 -10.1979 -10.1979 -10.1951 -10.1951 -10.1226 -10.1226 -10.0236 -10.0236 -9.9868 -9.9868 -1.3231 -1.3231 -0.3678 -0.3678 -0.3243 -0.3243 -0.2569 -0.2569 0.0977 0.0977 0.2268 0.2268 0.4181 0.4181 0.5061 0.5061 0.7942 0.7942 1.7455 1.7455 2.2542 2.2542 2.7997 2.7997 2.8871 2.8871 2.9822 2.9822 3.0223 3.0223 3.1942 3.1942 3.5826 3.5826 3.6836 3.6836 4.3643 4.3643 4.7334 4.7334 5.0343 5.0343 8.0087 8.0087 8.0251 8.0251 9.6176 9.6176 k = 0.0833-0.0581-0.0397 ( 9904 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1552 -11.1552 -10.2000 -10.2000 -10.1956 -10.1956 -10.1225 -10.1225 -10.0259 -10.0259 -9.9891 -9.9891 -1.3188 -1.3188 -0.3675 -0.3675 -0.3225 -0.3225 -0.2561 -0.2561 0.0830 0.0830 0.2094 0.2094 0.4171 0.4171 0.5398 0.5398 0.8120 0.8120 1.7641 1.7641 2.2670 2.2670 2.7724 2.7724 2.8801 2.8801 2.9637 2.9637 3.0110 3.0110 3.2040 3.2040 3.5600 3.5600 3.6751 3.6751 4.3800 4.3800 4.7327 4.7327 5.0385 5.0385 7.9995 7.9995 8.0234 8.0234 9.6607 9.6607 k = 0.1000-0.0698-0.0476 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1492 -11.1492 -10.2025 -10.2025 -10.1962 -10.1962 -10.1226 -10.1226 -10.0289 -10.0289 -9.9915 -9.9915 -1.3135 -1.3135 -0.3680 -0.3680 -0.3199 -0.3199 -0.2548 -0.2548 0.0682 0.0682 0.1924 0.1924 0.4142 0.4142 0.5762 0.5762 0.8326 0.8326 1.7864 1.7864 2.2816 2.2816 2.7400 2.7400 2.8682 2.8682 2.9446 2.9446 3.0018 3.0018 3.2114 3.2114 3.5343 3.5343 3.6658 3.6658 4.3975 4.3975 4.7317 4.7317 5.0436 5.0436 7.9888 7.9888 8.0214 8.0214 9.7125 9.7125 k = 0.1167-0.0814-0.0556 ( 9906 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1421 -11.1421 -10.2054 -10.2054 -10.1968 -10.1968 -10.1229 -10.1229 -10.0326 -10.0326 -9.9940 -9.9940 -1.3074 -1.3074 -0.3695 -0.3695 -0.3164 -0.3164 -0.2529 -0.2529 0.0541 0.0541 0.1765 0.1765 0.4096 0.4096 0.6143 0.6143 0.8557 0.8557 1.8120 1.8120 2.2977 2.2977 2.7042 2.7042 2.8473 2.8473 2.9303 2.9303 2.9927 2.9927 3.2163 3.2163 3.5067 3.5067 3.6557 3.6557 4.4161 4.4161 4.7301 4.7301 5.0498 5.0498 7.9770 7.9770 8.0192 8.0192 9.7724 9.7724 k = 0.1333-0.0930-0.0635 ( 9912 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1340 -11.1340 -10.2087 -10.2087 -10.1975 -10.1975 -10.1238 -10.1238 -10.0369 -10.0369 -9.9963 -9.9963 -1.3005 -1.3005 -0.3722 -0.3722 -0.3122 -0.3122 -0.2502 -0.2502 0.0414 0.0414 0.1624 0.1624 0.4034 0.4034 0.6531 0.6531 0.8804 0.8804 1.8409 1.8409 2.3142 2.3142 2.6664 2.6664 2.8165 2.8165 2.9213 2.9213 2.9838 2.9838 3.2190 3.2190 3.4784 3.4784 3.6447 3.6447 4.4349 4.4349 4.7280 4.7280 5.0569 5.0569 7.9644 7.9644 8.0167 8.0167 9.8396 9.8396 k = 0.1500-0.1046-0.0715 ( 9906 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1249 -11.1249 -10.2123 -10.2123 -10.1982 -10.1982 -10.1252 -10.1252 -10.0416 -10.0416 -9.9984 -9.9984 -1.2930 -1.2930 -0.3759 -0.3759 -0.3075 -0.3075 -0.2470 -0.2470 0.0305 0.0305 0.1505 0.1505 0.3959 0.3959 0.6920 0.6920 0.9065 0.9065 1.8725 1.8725 2.3300 2.3300 2.6286 2.6286 2.7783 2.7783 2.9137 2.9137 2.9764 2.9764 3.2195 3.2195 3.4506 3.4506 3.6328 3.6328 4.4533 4.4533 4.7254 4.7254 5.0653 5.0653 7.9514 7.9514 8.0141 8.0141 9.9134 9.9134 k = 0.1667-0.1163-0.0794 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1149 -11.1149 -10.2164 -10.2164 -10.1989 -10.1989 -10.1276 -10.1276 -10.0466 -10.0466 -10.0003 -10.0003 -1.2849 -1.2849 -0.3806 -0.3806 -0.3025 -0.3025 -0.2432 -0.2432 0.0218 0.0218 0.1413 0.1413 0.3875 0.3875 0.7301 0.7301 0.9333 0.9333 1.9064 1.9064 2.3431 2.3431 2.5929 2.5929 2.7349 2.7349 2.9041 2.9041 2.9722 2.9722 3.2180 3.2180 3.4240 3.4240 3.6200 3.6200 4.4704 4.4704 4.7224 4.7224 5.0748 5.0748 7.9381 7.9381 8.0115 8.0115 9.9927 9.9927 k = 0.1833-0.1279-0.0873 ( 9896 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.1040 -11.1040 -10.2208 -10.2208 -10.1996 -10.1996 -10.1310 -10.1310 -10.0514 -10.0514 -10.0019 -10.0019 -1.2763 -1.2763 -0.3862 -0.3862 -0.2974 -0.2974 -0.2391 -0.2391 0.0155 0.0155 0.1351 0.1351 0.3785 0.3785 0.7667 0.7667 0.9604 0.9604 1.9421 1.9421 2.3505 2.3505 2.5624 2.5624 2.6880 2.6880 2.8912 2.8912 2.9720 2.9720 3.2149 3.2149 3.3993 3.3993 3.6063 3.6063 4.4855 4.4855 4.7192 4.7192 5.0855 5.0855 7.9248 7.9248 8.0090 8.0090 10.0764 10.0764 k = 0.2000-0.1395-0.0953 ( 9892 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0923 -11.0923 -10.2257 -10.2257 -10.2004 -10.2004 -10.1355 -10.1355 -10.0559 -10.0559 -10.0033 -10.0033 -1.2674 -1.2674 -0.3925 -0.3925 -0.2923 -0.2923 -0.2347 -0.2347 0.0120 0.0120 0.1322 0.1322 0.3693 0.3693 0.8008 0.8008 0.9875 0.9875 1.9789 1.9789 2.3486 2.3486 2.5393 2.5393 2.6406 2.6406 2.8757 2.8757 2.9750 2.9750 3.2102 3.2102 3.3767 3.3767 3.5916 3.5916 4.4981 4.4981 4.7160 4.7160 5.0975 5.0975 7.9117 7.9117 8.0067 8.0067 10.1632 10.1632 k = 0.2167-0.1511-0.1032 ( 9883 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0799 -11.0799 -10.2310 -10.2310 -10.2012 -10.2012 -10.1412 -10.1412 -10.0598 -10.0598 -10.0046 -10.0046 -1.2583 -1.2583 -0.3995 -0.3995 -0.2872 -0.2872 -0.2304 -0.2304 0.0113 0.0113 0.1326 0.1326 0.3604 0.3604 0.8316 0.8316 1.0141 1.0141 2.0157 2.0157 2.3356 2.3356 2.5197 2.5197 2.6001 2.6001 2.8588 2.8588 2.9804 2.9804 3.2041 3.2041 3.3564 3.3564 3.5762 3.5762 4.5073 4.5073 4.7132 4.7132 5.1106 5.1106 7.8988 7.8988 8.0048 8.0048 10.2513 10.2513 k = 0.2333-0.1628-0.1111 ( 9886 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0667 -11.0667 -10.2368 -10.2368 -10.2023 -10.2023 -10.1478 -10.1478 -10.0631 -10.0631 -10.0056 -10.0056 -1.2490 -1.2490 -0.4072 -0.4072 -0.2821 -0.2821 -0.2262 -0.2262 0.0136 0.0136 0.1364 0.1364 0.3522 0.3522 0.8584 0.8584 1.0400 1.0400 2.0506 2.0506 2.3145 2.3145 2.4884 2.4884 2.5814 2.5814 2.8418 2.8418 2.9871 2.9871 3.1969 3.1969 3.3382 3.3382 3.5600 3.5600 4.5127 4.5127 4.7113 4.7113 5.1249 5.1249 7.8861 7.8861 8.0034 8.0034 10.3385 10.3385 k = 0.2500-0.1744-0.1191 ( 9888 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0529 -11.0529 -10.2433 -10.2433 -10.2035 -10.2035 -10.1550 -10.1550 -10.0657 -10.0657 -10.0065 -10.0065 -1.2398 -1.2398 -0.4153 -0.4153 -0.2768 -0.2768 -0.2222 -0.2222 0.0186 0.0186 0.1431 0.1431 0.3454 0.3454 0.8803 0.8803 1.0647 1.0647 2.0801 2.0801 2.2913 2.2913 2.4437 2.4437 2.5846 2.5846 2.8256 2.8256 2.9946 2.9946 3.1888 3.1888 3.3220 3.3220 3.5432 3.5432 4.5140 4.5140 4.7105 4.7105 5.1400 5.1400 7.8737 7.8737 8.0028 8.0028 10.4217 10.4217 k = 0.2667-0.1860-0.1270 ( 9892 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.0387 -11.0387 -10.2505 -10.2505 -10.2052 -10.2052 -10.1622 -10.1622 -10.0679 -10.0679 -10.0072 -10.0072 -1.2308 -1.2308 -0.4239 -0.4239 -0.2715 -0.2715 -0.2181 -0.2181 0.0260 0.0260 0.1524 0.1524 0.3404 0.3404 0.8968 0.8968 1.0877 1.0877 2.0973 2.0973 2.2733 2.2733 2.3979 2.3979 2.5976 2.5976 2.8111 2.8111 3.0021 3.0021 3.1801 3.1801 3.3076 3.3076 3.5259 3.5259 4.5112 4.5112 4.7109 4.7109 5.1558 5.1558 7.8615 7.8615 8.0030 8.0030 10.4971 10.4971 k = 0.2833-0.1976-0.1350 ( 9894 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0240 -11.0240 -10.2585 -10.2585 -10.2075 -10.2075 -10.1689 -10.1689 -10.0697 -10.0697 -10.0077 -10.0077 -1.2220 -1.2220 -0.4328 -0.4328 -0.2662 -0.2662 -0.2137 -0.2137 0.0353 0.0353 0.1639 0.1639 0.3381 0.3381 0.9074 0.9074 1.1087 1.1087 2.0936 2.0936 2.2646 2.2646 2.3623 2.3623 2.6143 2.6143 2.7989 2.7989 3.0089 3.0089 3.1713 3.1713 3.2949 3.2949 3.5084 3.5084 4.5047 4.5047 4.7124 4.7124 5.1720 5.1720 7.8496 7.8496 8.0042 8.0042 10.5600 10.5600 k = 0.3000-0.2093-0.1429 ( 9894 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0090 -11.0090 -10.2675 -10.2675 -10.2105 -10.2105 -10.1744 -10.1744 -10.0713 -10.0713 -10.0081 -10.0081 -1.2137 -1.2137 -0.4418 -0.4418 -0.2613 -0.2613 -0.2083 -0.2083 0.0457 0.0457 0.1772 0.1772 0.3391 0.3391 0.9119 0.9119 1.1270 1.1270 2.0680 2.0680 2.2552 2.2552 2.3512 2.3512 2.6322 2.6322 2.7897 2.7897 3.0140 3.0140 3.1631 3.1631 3.2838 3.2838 3.4907 3.4907 4.4951 4.4951 4.7147 4.7147 5.1884 5.1884 7.8379 7.8379 8.0062 8.0062 10.6062 10.6062 k = 0.3167-0.2209-0.1508 ( 9883 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9940 -10.9940 -10.2776 -10.2776 -10.2142 -10.2142 -10.1785 -10.1785 -10.0726 -10.0726 -10.0084 -10.0084 -1.2059 -1.2059 -0.4508 -0.4508 -0.2573 -0.2573 -0.2014 -0.2014 0.0562 0.0562 0.1920 0.1920 0.3441 0.3441 0.9101 0.9101 1.1423 1.1423 2.0275 2.0275 2.2369 2.2369 2.3672 2.3672 2.6501 2.6501 2.7839 2.7839 3.0164 3.0164 3.1562 3.1562 3.2740 3.2740 3.4732 3.4732 4.4830 4.4830 4.7174 4.7174 5.2047 5.2047 7.8266 7.8266 8.0092 8.0092 10.6345 10.6345 k = 0.3333-0.2325-0.1588 ( 9897 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9789 -10.9789 -10.2885 -10.2885 -10.2183 -10.2183 -10.1813 -10.1813 -10.0739 -10.0739 -10.0085 -10.0085 -1.1987 -1.1987 -0.4597 -0.4597 -0.2543 -0.2543 -0.1925 -0.1925 0.0657 0.0657 0.2082 0.2082 0.3534 0.3534 0.9023 0.9023 1.1544 1.1544 1.9787 1.9787 2.2179 2.2179 2.3961 2.3961 2.6674 2.6674 2.7820 2.7820 3.0152 3.0152 3.1511 3.1511 3.2658 3.2658 3.4559 3.4559 4.4692 4.4692 4.7202 4.7202 5.2206 5.2206 7.8156 7.8156 8.0129 8.0129 10.6474 10.6474 k = 0.3500-0.2441-0.1667 ( 9899 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9641 -10.9641 -10.3001 -10.3001 -10.2225 -10.2225 -10.1830 -10.1830 -10.0751 -10.0751 -10.0085 -10.0085 -1.1921 -1.1921 -0.4682 -0.4682 -0.2524 -0.2524 -0.1818 -0.1818 0.0735 0.0735 0.2260 0.2260 0.3671 0.3671 0.8886 0.8886 1.1633 1.1633 1.9263 1.9263 2.2030 2.2030 2.4288 2.4288 2.6838 2.6838 2.7841 2.7841 3.0098 3.0098 3.1478 3.1478 3.2592 3.2592 3.4391 3.4391 4.4543 4.4543 4.7231 4.7231 5.2359 5.2359 7.8050 7.8050 8.0173 8.0173 10.6495 10.6495 k = 0.3667-0.2558-0.1747 ( 9893 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9497 -10.9497 -10.3120 -10.3120 -10.2265 -10.2265 -10.1840 -10.1840 -10.0763 -10.0763 -10.0085 -10.0085 -1.1862 -1.1862 -0.4762 -0.4762 -0.2513 -0.2513 -0.1696 -0.1696 0.0790 0.0790 0.2454 0.2454 0.3847 0.3847 0.8696 0.8696 1.1690 1.1690 1.8734 1.8734 2.1928 2.1928 2.4613 2.4613 2.6996 2.6996 2.7900 2.7900 3.0003 3.0003 3.1457 3.1457 3.2548 3.2548 3.4228 3.4228 4.4390 4.4390 4.7256 4.7256 5.2502 5.2502 7.7950 7.7950 8.0222 8.0222 10.6454 10.6454 k = 0.3833-0.2674-0.1826 ( 9895 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9360 -10.9360 -10.3240 -10.3240 -10.2301 -10.2301 -10.1846 -10.1846 -10.0774 -10.0774 -10.0083 -10.0083 -1.1811 -1.1811 -0.4836 -0.4836 -0.2509 -0.2509 -0.1564 -0.1564 0.0823 0.0823 0.2662 0.2662 0.4056 0.4056 0.8459 0.8459 1.1719 1.1719 1.8221 1.8221 2.1868 2.1868 2.4918 2.4918 2.7152 2.7152 2.7991 2.7991 2.9876 2.9876 3.1435 3.1435 3.2528 3.2528 3.4074 3.4074 4.4240 4.4240 4.7279 4.7279 5.2633 5.2633 7.7857 7.7857 8.0273 8.0273 10.6385 10.6385 k = 0.4000-0.2790-0.1905 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9232 -10.9232 -10.3355 -10.3355 -10.2333 -10.2333 -10.1848 -10.1848 -10.0784 -10.0784 -10.0082 -10.0082 -1.1766 -1.1766 -0.4903 -0.4903 -0.2508 -0.2508 -0.1430 -0.1430 0.0838 0.0838 0.2879 0.2879 0.4293 0.4293 0.8181 0.8181 1.1725 1.1725 1.7743 1.7743 2.1841 2.1841 2.5189 2.5189 2.7311 2.7311 2.8106 2.8106 2.9726 2.9726 3.1400 3.1400 3.2536 3.2536 3.3928 3.3928 4.4097 4.4097 4.7298 4.7298 5.2752 5.2752 7.7772 7.7772 8.0325 8.0325 10.6313 10.6313 k = 0.4167-0.2906-0.1985 ( 9901 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9116 -10.9116 -10.3461 -10.3461 -10.2360 -10.2360 -10.1848 -10.1848 -10.0794 -10.0794 -10.0080 -10.0080 -1.1729 -1.1729 -0.4961 -0.4961 -0.2510 -0.2510 -0.1300 -0.1300 0.0838 0.0838 0.3095 0.3095 0.4552 0.4552 0.7872 0.7872 1.1714 1.1714 1.7312 1.7312 2.1836 2.1836 2.5420 2.5420 2.7475 2.7475 2.8234 2.8234 2.9561 2.9561 3.1348 3.1348 3.2569 3.2569 3.3792 3.3792 4.3966 4.3966 4.7314 4.7314 5.2855 5.2855 7.7697 7.7697 8.0374 8.0374 10.6252 10.6252 k = 0.4333-0.3023-0.2064 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9016 -10.9016 -10.3556 -10.3556 -10.2381 -10.2381 -10.1848 -10.1848 -10.0802 -10.0802 -10.0078 -10.0078 -1.1699 -1.1699 -0.5009 -0.5009 -0.2512 -0.2512 -0.1180 -0.1180 0.0830 0.0830 0.3298 0.3298 0.4830 0.4830 0.7538 0.7538 1.1691 1.1691 1.6942 1.6942 2.1846 2.1846 2.5608 2.5608 2.7644 2.7644 2.8363 2.8363 2.9393 2.9393 3.1282 3.1282 3.2622 3.2622 3.3668 3.3668 4.3852 4.3852 4.7326 4.7326 5.2941 5.2941 7.7633 7.7633 8.0418 8.0418 10.6211 10.6211 k = 0.4500-0.3139-0.2144 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8933 -10.8933 -10.3634 -10.3634 -10.2398 -10.2398 -10.1847 -10.1847 -10.0809 -10.0809 -10.0076 -10.0076 -1.1676 -1.1676 -0.5048 -0.5048 -0.2514 -0.2514 -0.1078 -0.1078 0.0818 0.0818 0.3476 0.3476 0.5126 0.5126 0.7188 0.7188 1.1665 1.1665 1.6642 1.6642 2.1863 2.1863 2.5752 2.5752 2.7813 2.7813 2.8476 2.8476 2.9235 2.9235 3.1211 3.1211 3.2685 3.2685 3.3558 3.3558 4.3760 4.3760 4.7335 4.7335 5.3010 5.3010 7.7582 7.7582 8.0454 8.0454 10.6193 10.6193 k = 0.4667-0.3255-0.2223 ( 9898 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8872 -10.8872 -10.3692 -10.3692 -10.2410 -10.2410 -10.1846 -10.1846 -10.0814 -10.0814 -10.0075 -10.0075 -1.1660 -1.1660 -0.5076 -0.5076 -0.2516 -0.2516 -0.1000 -0.1000 0.0807 0.0807 0.3614 0.3614 0.5439 0.5439 0.6831 0.6831 1.1640 1.1640 1.6420 1.6420 2.1880 2.1880 2.5854 2.5854 2.7973 2.7973 2.8547 2.8547 2.9106 2.9106 3.1146 3.1146 3.2747 3.2747 3.3465 3.3465 4.3691 4.3691 4.7342 4.7342 5.3059 5.3059 7.7544 7.7544 8.0482 8.0482 10.6193 10.6193 k = 0.4833-0.3371-0.2302 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8835 -10.8835 -10.3729 -10.3729 -10.2418 -10.2418 -10.1845 -10.1845 -10.0817 -10.0817 -10.0074 -10.0074 -1.1650 -1.1650 -0.5092 -0.5092 -0.2517 -0.2517 -0.0951 -0.0951 0.0798 0.0798 0.3702 0.3702 0.5767 0.5767 0.6473 0.6473 1.1623 1.1623 1.6285 1.6285 2.1891 2.1891 2.5915 2.5915 2.8108 2.8108 2.8555 2.8555 2.9032 2.9032 3.1099 3.1099 3.2796 3.2796 3.3400 3.3400 4.3649 4.3649 4.7345 4.7345 5.3089 5.3089 7.7522 7.7522 8.0500 8.0500 10.6203 10.6203 k = 0.5000-0.3488-0.2382 ( 9870 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8822 -10.8822 -10.3741 -10.3741 -10.2420 -10.2420 -10.1845 -10.1845 -10.0818 -10.0818 -10.0074 -10.0074 -1.1647 -1.1647 -0.5098 -0.5098 -0.2518 -0.2518 -0.0934 -0.0934 0.0795 0.0795 0.3732 0.3732 0.6061 0.6061 0.6169 0.6169 1.1617 1.1617 1.6239 1.6239 2.1896 2.1896 2.5935 2.5935 2.8169 2.8169 2.8538 2.8538 2.9013 2.9013 3.1082 3.1082 3.2816 3.2816 3.3376 3.3376 4.3634 4.3634 4.7347 4.7347 5.3099 5.3099 7.7514 7.7514 8.0505 8.0505 10.6208 10.6208 k = 0.5000-0.3488-0.2382 ( 9870 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8822 -10.8822 -10.3741 -10.3741 -10.2420 -10.2420 -10.1845 -10.1845 -10.0818 -10.0818 -10.0074 -10.0074 -1.1647 -1.1647 -0.5098 -0.5098 -0.2518 -0.2518 -0.0934 -0.0934 0.0795 0.0795 0.3732 0.3732 0.6061 0.6061 0.6169 0.6169 1.1617 1.1617 1.6239 1.6239 2.1896 2.1896 2.5935 2.5935 2.8169 2.8169 2.8538 2.8538 2.9013 2.9013 3.1082 3.1082 3.2816 3.2816 3.3376 3.3376 4.3634 4.3634 4.7347 4.7347 5.3099 5.3099 7.7514 7.7514 8.0505 8.0505 10.6208 10.6208 k = 0.5000-0.3364-0.2563 ( 9886 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8818 -10.8818 -10.3739 -10.3739 -10.2422 -10.2422 -10.1844 -10.1844 -10.0821 -10.0821 -10.0076 -10.0076 -1.1637 -1.1637 -0.5102 -0.5102 -0.2540 -0.2540 -0.0936 -0.0936 0.0846 0.0846 0.3703 0.3703 0.6007 0.6007 0.6225 0.6225 1.1616 1.1616 1.6267 1.6267 2.1883 2.1883 2.5931 2.5931 2.8129 2.8129 2.8540 2.8540 2.9019 2.9019 3.1078 3.1078 3.2818 3.2818 3.3371 3.3371 4.3661 4.3661 4.7352 4.7352 5.3091 5.3091 7.7518 7.7518 8.0503 8.0503 10.6204 10.6204 k = 0.5000-0.3240-0.2744 ( 9886 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8807 -10.8807 -10.3734 -10.3734 -10.2429 -10.2429 -10.1840 -10.1840 -10.0831 -10.0831 -10.0083 -10.0083 -1.1607 -1.1607 -0.5114 -0.5114 -0.2602 -0.2602 -0.0937 -0.0937 0.0989 0.0989 0.3620 0.3620 0.5908 0.5908 0.6330 0.6330 1.1614 1.1614 1.6347 1.6347 2.1845 2.1845 2.5919 2.5919 2.8018 2.8018 2.8538 2.8538 2.9038 2.9038 3.1063 3.1063 3.2825 3.2825 3.3360 3.3360 4.3738 4.3738 4.7368 4.7368 5.3068 5.3068 7.7530 7.7530 8.0498 8.0498 10.6191 10.6191 k = 0.5000-0.3117-0.2925 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8788 -10.8788 -10.3726 -10.3726 -10.2439 -10.2439 -10.1835 -10.1835 -10.0848 -10.0848 -10.0094 -10.0094 -1.1558 -1.1558 -0.5134 -0.5134 -0.2695 -0.2695 -0.0929 -0.0929 0.1205 0.1205 0.3494 0.3494 0.5784 0.5784 0.6459 0.6459 1.1610 1.1610 1.6477 1.6477 2.1785 2.1785 2.5898 2.5898 2.7848 2.7848 2.8524 2.8524 2.9066 2.9066 3.1036 3.1036 3.2831 3.2831 3.3350 3.3350 4.3863 4.3863 4.7394 4.7394 5.3029 5.3029 7.7550 7.7550 8.0488 8.0488 10.6171 10.6171 k = 0.5000-0.2993-0.3106 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8763 -10.8763 -10.3714 -10.3714 -10.2454 -10.2454 -10.1828 -10.1828 -10.0872 -10.0872 -10.0109 -10.0109 -1.1491 -1.1491 -0.5165 -0.5165 -0.2806 -0.2806 -0.0905 -0.0905 0.1472 0.1472 0.3340 0.3340 0.5634 0.5634 0.6606 0.6606 1.1603 1.1603 1.6648 1.6648 2.1706 2.1706 2.5867 2.5867 2.7631 2.7631 2.8496 2.8496 2.9097 2.9097 3.0996 3.0996 3.2828 3.2828 3.3353 3.3353 4.4029 4.4029 4.7429 4.7429 5.2977 5.2977 7.7577 7.7577 8.0474 8.0474 10.6143 10.6143 k = 0.5000-0.2870-0.3287 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8730 -10.8730 -10.3699 -10.3699 -10.2472 -10.2472 -10.1820 -10.1820 -10.0904 -10.0904 -10.0127 -10.0127 -1.1407 -1.1407 -0.5206 -0.5206 -0.2924 -0.2924 -0.0863 -0.0863 0.1762 0.1762 0.3179 0.3179 0.5465 0.5465 0.6767 0.6767 1.1590 1.1590 1.6853 1.6853 2.1614 2.1614 2.5823 2.5823 2.7374 2.7374 2.8455 2.8455 2.9127 2.9127 3.0942 3.0942 3.2813 3.2813 3.3379 3.3379 4.4229 4.4229 4.7471 4.7471 5.2912 5.2912 7.7611 7.7611 8.0456 8.0456 10.6108 10.6108 k = 0.5000-0.2746-0.3468 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8691 -10.8691 -10.3682 -10.3682 -10.2493 -10.2493 -10.1810 -10.1810 -10.0943 -10.0943 -10.0147 -10.0147 -1.1307 -1.1307 -0.5258 -0.5258 -0.3039 -0.3039 -0.0800 -0.0800 0.2030 0.2030 0.3051 0.3051 0.5282 0.5282 0.6934 0.6934 1.1571 1.1571 1.7082 1.7082 2.1514 2.1514 2.5762 2.5762 2.7088 2.7088 2.8403 2.8403 2.9150 2.9150 3.0875 3.0875 3.2783 3.2783 3.3431 3.3431 4.4456 4.4456 4.7520 4.7520 5.2837 5.2837 7.7649 7.7649 8.0434 8.0434 10.6065 10.6065 k = 0.5000-0.2622-0.3649 ( 9864 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8645 -10.8645 -10.3661 -10.3661 -10.2518 -10.2518 -10.1798 -10.1798 -10.0990 -10.0990 -10.0169 -10.0169 -1.1193 -1.1193 -0.5322 -0.5322 -0.3144 -0.3144 -0.0716 -0.0716 0.2176 0.2176 0.3052 0.3052 0.5095 0.5095 0.7103 0.7103 1.1543 1.1543 1.7322 1.7322 2.1415 2.1415 2.5672 2.5672 2.6790 2.6790 2.8342 2.8342 2.9160 2.9160 3.0797 3.0797 3.2744 3.2744 3.3506 3.3506 4.4700 4.4700 4.7575 4.7575 5.2753 5.2753 7.7692 7.7692 8.0408 8.0408 10.6014 10.6014 k = 0.5000-0.2499-0.3830 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8595 -10.8595 -10.3638 -10.3638 -10.2545 -10.2545 -10.1786 -10.1786 -10.1043 -10.1043 -10.0191 -10.0191 -1.1068 -1.1068 -0.5395 -0.5395 -0.3236 -0.3236 -0.0614 -0.0614 0.2121 0.2121 0.3257 0.3257 0.4916 0.4916 0.7271 0.7271 1.1506 1.1506 1.7561 1.7561 2.1327 2.1327 2.5534 2.5534 2.6506 2.6506 2.8273 2.8273 2.9154 2.9154 3.0715 3.0715 3.2699 3.2699 3.3599 3.3599 4.4954 4.4954 4.7633 4.7633 5.2663 5.2663 7.7737 7.7737 8.0378 8.0378 10.5957 10.5957 k = 0.5000-0.2375-0.4011 ( 9858 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8539 -10.8539 -10.3612 -10.3612 -10.2575 -10.2575 -10.1774 -10.1774 -10.1103 -10.1103 -10.0214 -10.0214 -1.0933 -1.0933 -0.5476 -0.5476 -0.3314 -0.3314 -0.0494 -0.0494 0.1948 0.1948 0.3569 0.3569 0.4762 0.4762 0.7435 0.7435 1.1456 1.1456 1.7784 1.7784 2.1260 2.1260 2.5326 2.5326 2.6264 2.6264 2.8195 2.8195 2.9127 2.9127 3.0635 3.0635 3.2652 3.2652 3.3704 3.3704 4.5209 4.5209 4.7694 4.7694 5.2571 5.2571 7.7782 7.7782 8.0342 8.0342 10.5894 10.5894 k = 0.5000-0.2252-0.4192 ( 9852 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8479 -10.8479 -10.3585 -10.3585 -10.2605 -10.2605 -10.1763 -10.1763 -10.1166 -10.1166 -10.0237 -10.0237 -1.0792 -1.0792 -0.5561 -0.5561 -0.3378 -0.3378 -0.0360 -0.0360 0.1734 0.1734 0.3879 0.3879 0.4675 0.4675 0.7592 0.7592 1.1393 1.1393 1.7976 1.7976 2.1226 2.1226 2.5041 2.5041 2.6080 2.6080 2.8108 2.8108 2.9077 2.9077 3.0562 3.0562 3.2603 3.2603 3.3814 3.3814 4.5458 4.5458 4.7759 4.7759 5.2480 5.2480 7.7826 7.7826 8.0302 8.0302 10.5828 10.5828 k = 0.5000-0.2128-0.4373 ( 9852 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8416 -10.8416 -10.3556 -10.3556 -10.2637 -10.2637 -10.1755 -10.1755 -10.1232 -10.1232 -10.0260 -10.0260 -1.0647 -1.0647 -0.5646 -0.5646 -0.3431 -0.3431 -0.0216 -0.0216 0.1509 0.1509 0.4060 0.4060 0.4758 0.4758 0.7743 0.7743 1.1315 1.1315 1.8124 1.8124 2.1231 2.1231 2.4701 2.4701 2.5940 2.5940 2.8012 2.8012 2.9004 2.9004 3.0503 3.0503 3.2552 3.2552 3.3926 3.3926 4.5693 4.5693 4.7827 4.7827 5.2393 5.2393 7.7867 7.7867 8.0256 8.0256 10.5761 10.5761 k = 0.5000-0.2004-0.4554 ( 9860 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8351 -10.8351 -10.3526 -10.3526 -10.2669 -10.2669 -10.1753 -10.1753 -10.1296 -10.1296 -10.0283 -10.0283 -1.0500 -1.0500 -0.5729 -0.5729 -0.3474 -0.3474 -0.0071 -0.0071 0.1288 0.1288 0.4074 0.4074 0.5045 0.5045 0.7885 0.7885 1.1221 1.1221 1.8220 1.8220 2.1279 2.1279 2.4340 2.4340 2.5822 2.5822 2.7905 2.7905 2.8908 2.8908 3.0458 3.0458 3.2500 3.2500 3.4034 3.4034 4.5907 4.5907 4.7899 4.7899 5.2315 5.2315 7.7902 7.7902 8.0203 8.0203 10.5700 10.5700 k = 0.5000-0.1881-0.4735 ( 9854 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8284 -10.8284 -10.3495 -10.3495 -10.2700 -10.2700 -10.1762 -10.1762 -10.1351 -10.1351 -10.0305 -10.0305 -1.0355 -1.0355 -0.5806 -0.5806 -0.3510 -0.3510 0.0057 0.0057 0.1090 0.1090 0.4042 0.4042 0.5413 0.5413 0.8018 0.8018 1.1110 1.1110 1.8263 1.8263 2.1360 2.1360 2.3986 2.3986 2.5714 2.5714 2.7788 2.7788 2.8793 2.8793 3.0427 3.0427 3.2446 3.2446 3.4134 3.4134 4.6096 4.6096 4.7977 4.7977 5.2249 5.2249 7.7931 7.7931 8.0144 8.0144 10.5646 10.5646 k = 0.5000-0.1757-0.4916 ( 9848 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8218 -10.8218 -10.3465 -10.3465 -10.2729 -10.2729 -10.1787 -10.1787 -10.1391 -10.1391 -10.0327 -10.0327 -1.0214 -1.0214 -0.5874 -0.5874 -0.3539 -0.3539 0.0135 0.0135 0.0946 0.0946 0.4030 0.4030 0.5797 0.5797 0.8143 0.8143 1.0984 1.0984 1.8258 1.8258 2.1450 2.1450 2.3666 2.3666 2.5610 2.5610 2.7660 2.7660 2.8662 2.8662 3.0408 3.0408 3.2391 3.2391 3.4223 3.4223 4.6254 4.6254 4.8059 4.8059 5.2199 5.2199 7.7951 7.7951 8.0077 8.0077 10.5606 10.5606 k = 0.5000-0.1633-0.5097 ( 9842 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8153 -10.8153 -10.3436 -10.3436 -10.2755 -10.2755 -10.1831 -10.1831 -10.1413 -10.1413 -10.0349 -10.0349 -1.0080 -1.0080 -0.5932 -0.5932 -0.3564 -0.3564 0.0117 0.0117 0.0896 0.0896 0.4060 0.4060 0.6175 0.6175 0.8260 0.8260 1.0842 1.0842 1.8217 1.8217 2.1514 2.1514 2.3413 2.3413 2.5510 2.5510 2.7521 2.7521 2.8515 2.8515 3.0398 3.0398 3.2337 3.2337 3.4296 3.4296 4.6381 4.6381 4.8146 4.8146 5.2167 5.2167 7.7961 7.7961 8.0003 8.0003 10.5584 10.5584 k = 0.5000-0.1510-0.5278 ( 9838 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8090 -10.8090 -10.3409 -10.3409 -10.2778 -10.2778 -10.1890 -10.1890 -10.1417 -10.1417 -10.0371 -10.0371 -0.9955 -0.9955 -0.5977 -0.5977 -0.3585 -0.3585 0.0007 0.0007 0.0934 0.0934 0.4143 0.4143 0.6531 0.6531 0.8371 0.8371 1.0687 1.0687 1.8149 1.8149 2.1511 2.1511 2.3260 2.3260 2.5417 2.5417 2.7373 2.7373 2.8354 2.8354 3.0393 3.0393 3.2286 3.2286 3.4351 3.4351 4.6477 4.6477 4.8236 4.8236 5.2156 5.2156 7.7959 7.7959 7.9920 7.9920 10.5582 10.5582 k = 0.5000-0.1386-0.5459 ( 9844 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8032 -10.8032 -10.3385 -10.3385 -10.2797 -10.2797 -10.1957 -10.1957 -10.1409 -10.1409 -10.0392 -10.0392 -0.9841 -0.9841 -0.6008 -0.6008 -0.3602 -0.3602 -0.0148 -0.0148 0.1008 0.1008 0.4283 0.4283 0.6852 0.6852 0.8481 0.8481 1.0525 1.0525 1.8066 1.8066 2.1422 2.1422 2.3215 2.3215 2.5336 2.5336 2.7217 2.7217 2.8180 2.8180 3.0390 3.0390 3.2240 3.2240 3.4385 3.4385 4.6548 4.6548 4.8324 4.8324 5.2166 5.2166 7.7944 7.7944 7.9829 7.9829 10.5604 10.5604 k = 0.5000-0.1263-0.5640 ( 9858 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7979 -10.7979 -10.3365 -10.3365 -10.2811 -10.2811 -10.2027 -10.2027 -10.1393 -10.1393 -10.0414 -10.0414 -0.9740 -0.9740 -0.6026 -0.6026 -0.3616 -0.3616 -0.0311 -0.0311 0.1083 0.1083 0.4479 0.4479 0.7125 0.7125 0.8594 0.8594 1.0362 1.0362 1.7974 1.7974 2.1268 2.1268 2.3247 2.3247 2.5274 2.5274 2.7053 2.7053 2.7994 2.7994 3.0386 3.0386 3.2201 3.2201 3.4396 3.4396 4.6598 4.6598 4.8410 4.8410 5.2197 5.2197 7.7917 7.7917 7.9730 7.9730 10.5651 10.5651 k = 0.5000-0.1139-0.5821 ( 9852 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7934 -10.7934 -10.3350 -10.3350 -10.2820 -10.2820 -10.2092 -10.2092 -10.1371 -10.1371 -10.0434 -10.0434 -0.9652 -0.9652 -0.6029 -0.6029 -0.3629 -0.3629 -0.0466 -0.0466 0.1145 0.1145 0.4724 0.4724 0.7334 0.7334 0.8714 0.8714 1.0211 1.0211 1.7879 1.7879 2.1087 2.1087 2.3305 2.3305 2.5238 2.5238 2.6885 2.6885 2.7798 2.7798 3.0377 3.0377 3.2174 3.2174 3.4382 3.4382 4.6633 4.6633 4.8489 4.8489 5.2247 5.2247 7.7877 7.7877 7.9625 7.9625 10.5725 10.5725 k = 0.5000-0.1015-0.6002 ( 9866 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7897 -10.7897 -10.3340 -10.3340 -10.2825 -10.2825 -10.2149 -10.2149 -10.1347 -10.1347 -10.0454 -10.0454 -0.9578 -0.9578 -0.6019 -0.6019 -0.3640 -0.3640 -0.0601 -0.0601 0.1191 0.1191 0.5002 0.5002 0.7473 0.7473 0.8835 0.8835 1.0087 1.0087 1.7785 1.7785 2.0911 2.0911 2.3351 2.3351 2.5228 2.5228 2.6714 2.6714 2.7600 2.7600 3.0363 3.0363 3.2158 3.2158 3.4342 3.4342 4.6660 4.6660 4.8561 4.8561 5.2313 5.2313 7.7823 7.7823 7.9515 7.9515 10.5823 10.5823 k = 0.5000-0.0892-0.6183 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7870 -10.7870 -10.3337 -10.3337 -10.2826 -10.2826 -10.2194 -10.2194 -10.1321 -10.1321 -10.0473 -10.0473 -0.9519 -0.9519 -0.5995 -0.5995 -0.3651 -0.3651 -0.0713 -0.0713 0.1221 0.1221 0.5296 0.5296 0.7543 0.7543 0.8942 0.8942 1.0012 1.0012 1.7696 1.7696 2.0759 2.0759 2.3364 2.3364 2.5231 2.5231 2.6544 2.6544 2.7413 2.7413 3.0342 3.0342 3.2156 3.2156 3.4275 3.4275 4.6682 4.6682 4.8625 4.8625 5.2391 5.2391 7.7757 7.7757 7.9402 7.9402 10.5945 10.5945 k = 0.5000-0.0768-0.6364 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7854 -10.7854 -10.3341 -10.3341 -10.2824 -10.2824 -10.2224 -10.2224 -10.1294 -10.1294 -10.0491 -10.0491 -0.9473 -0.9473 -0.5958 -0.5958 -0.3664 -0.3664 -0.0796 -0.0796 0.1238 0.1238 0.5578 0.5578 0.7565 0.7565 0.9013 0.9013 1.0006 1.0006 1.7615 1.7615 2.0640 2.0640 2.3340 2.3340 2.5218 2.5218 2.6376 2.6376 2.7261 2.7261 3.0314 3.0314 3.2166 3.2166 3.4181 3.4181 4.6706 4.6706 4.8682 4.8682 5.2477 5.2477 7.7680 7.7680 7.9288 7.9288 10.6088 10.6088 k = 0.5000-0.0645-0.6545 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.7850 -10.7850 -10.3354 -10.3354 -10.2818 -10.2818 -10.2238 -10.2238 -10.1267 -10.1267 -10.0506 -10.0506 -0.9441 -0.9441 -0.5910 -0.5910 -0.3677 -0.3677 -0.0849 -0.0849 0.1245 0.1245 0.5809 0.5809 0.7573 0.7573 0.9043 0.9043 1.0069 1.0069 1.7547 1.7547 2.0561 2.0561 2.3284 2.3284 2.5153 2.5153 2.6205 2.6205 2.7178 2.7178 3.0282 3.0282 3.2186 3.2186 3.4061 3.4061 4.6733 4.6733 4.8733 4.8733 5.2566 5.2566 7.7592 7.7592 7.9174 7.9174 10.6249 10.6249 k = 0.7668 0.0747-0.2982 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.7850 -10.7850 -10.3354 -10.3354 -10.2818 -10.2818 -10.2238 -10.2238 -10.1267 -10.1267 -10.0506 -10.0506 -0.9441 -0.9441 -0.5910 -0.5910 -0.3677 -0.3677 -0.0849 -0.0849 0.1245 0.1245 0.5809 0.5809 0.7573 0.7573 0.9043 0.9043 1.0069 1.0069 1.7547 1.7547 2.0561 2.0561 2.3284 2.3284 2.5153 2.5153 2.6205 2.6205 2.7177 2.7177 3.0282 3.0282 3.2186 3.2186 3.4061 3.4061 4.6733 4.6733 4.8733 4.8733 5.2567 5.2567 7.7592 7.7592 7.9174 7.9174 10.6249 10.6249 k = 0.7569 0.0816-0.2806 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7858 -10.7858 -10.3374 -10.3374 -10.2805 -10.2805 -10.2236 -10.2236 -10.1242 -10.1242 -10.0519 -10.0519 -0.9420 -0.9420 -0.5855 -0.5855 -0.3692 -0.3692 -0.0869 -0.0869 0.1244 0.1244 0.5943 0.5943 0.7609 0.7609 0.9047 0.9047 1.0173 1.0173 1.7494 1.7494 2.0524 2.0524 2.3207 2.3207 2.5016 2.5016 2.6024 2.6024 2.7188 2.7188 3.0248 3.0248 3.2214 3.2214 3.3920 3.3920 4.6766 4.6766 4.8777 4.8777 5.2654 5.2654 7.7499 7.7499 7.9066 7.9066 10.6419 10.6419 k = 0.7470 0.0885-0.2629 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7877 -10.7877 -10.3403 -10.3403 -10.2785 -10.2785 -10.2220 -10.2220 -10.1217 -10.1217 -10.0530 -10.0530 -0.9410 -0.9410 -0.5793 -0.5793 -0.3707 -0.3707 -0.0859 -0.0859 0.1237 0.1237 0.5957 0.5957 0.7700 0.7700 0.9049 0.9049 1.0297 1.0297 1.7457 1.7457 2.0524 2.0524 2.3114 2.3114 2.4813 2.4813 2.5827 2.5827 2.7286 2.7286 3.0213 3.0213 3.2247 3.2247 3.3759 3.3759 4.6807 4.6807 4.8815 4.8815 5.2738 5.2738 7.7402 7.7402 7.8962 7.8962 10.6597 10.6597 k = 0.7372 0.0954-0.2453 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7907 -10.7907 -10.3440 -10.3440 -10.2756 -10.2756 -10.2194 -10.2194 -10.1194 -10.1194 -10.0537 -10.0537 -0.9409 -0.9409 -0.5725 -0.5725 -0.3721 -0.3721 -0.0821 -0.0821 0.1225 0.1225 0.5862 0.5862 0.7829 0.7829 0.9063 0.9063 1.0425 1.0425 1.7438 1.7438 2.0560 2.0560 2.3010 2.3010 2.4563 2.4563 2.5620 2.5620 2.7447 2.7447 3.0178 3.0178 3.2282 3.2282 3.3580 3.3580 4.6856 4.6856 4.8850 4.8850 5.2816 5.2816 7.7302 7.7302 7.8864 7.8864 10.6778 10.6778 k = 0.7273 0.1023-0.2276 ( 9880 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7949 -10.7949 -10.3482 -10.3482 -10.2718 -10.2718 -10.2159 -10.2159 -10.1173 -10.1173 -10.0540 -10.0540 -0.9415 -0.9415 -0.5655 -0.5655 -0.3734 -0.3734 -0.0755 -0.0755 0.1211 0.1211 0.5693 0.5693 0.7956 0.7956 0.9096 0.9096 1.0552 1.0552 1.7437 1.7437 2.0625 2.0625 2.2893 2.2893 2.4289 2.4289 2.5416 2.5416 2.7648 2.7648 3.0142 3.0142 3.2316 3.2316 3.3391 3.3391 4.6913 4.6913 4.8880 4.8880 5.2885 5.2885 7.7203 7.7203 7.8771 7.8771 10.6958 10.6958 k = 0.7174 0.1092-0.2100 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8000 -10.8000 -10.3529 -10.3529 -10.2673 -10.2673 -10.2119 -10.2119 -10.1153 -10.1153 -10.0539 -10.0539 -0.9427 -0.9427 -0.5583 -0.5583 -0.3743 -0.3743 -0.0666 -0.0666 0.1197 0.1197 0.5483 0.5483 0.8051 0.8051 0.9146 0.9146 1.0675 1.0675 1.7452 1.7452 2.0709 2.0709 2.2757 2.2757 2.4021 2.4021 2.5225 2.5225 2.7870 2.7870 3.0105 3.0105 3.2342 3.2342 3.3198 3.3198 4.6976 4.6976 4.8906 4.8906 5.2942 5.2942 7.7109 7.7109 7.8685 7.8685 10.7130 10.7130 k = 0.7075 0.1161-0.1924 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8060 -10.8060 -10.3579 -10.3579 -10.2620 -10.2620 -10.2074 -10.2074 -10.1134 -10.1134 -10.0534 -10.0534 -0.9443 -0.9443 -0.5513 -0.5513 -0.3749 -0.3749 -0.0557 -0.0557 0.1184 0.1184 0.5255 0.5255 0.8102 0.8102 0.9198 0.9198 1.0796 1.0796 1.7481 1.7481 2.0798 2.0798 2.2592 2.2592 2.3790 2.3790 2.5060 2.5060 2.8098 2.8098 3.0065 3.0065 3.2355 3.2355 3.3016 3.3016 4.7046 4.7046 4.8928 4.8928 5.2987 5.2987 7.7023 7.7023 7.8606 7.8606 10.7290 10.7290 k = 0.6976 0.1230-0.1747 ( 9886 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8127 -10.8127 -10.3629 -10.3629 -10.2563 -10.2563 -10.2028 -10.2028 -10.1116 -10.1116 -10.0525 -10.0525 -0.9464 -0.9464 -0.5446 -0.5446 -0.3751 -0.3751 -0.0431 -0.0431 0.1176 0.1176 0.5024 0.5024 0.8116 0.8116 0.9235 0.9235 1.0912 1.0912 1.7519 1.7519 2.0871 2.0871 2.2391 2.2391 2.3625 2.3625 2.4935 2.4935 2.8319 2.8319 3.0023 3.0023 3.2339 3.2339 3.2864 3.2864 4.7119 4.7119 4.8945 4.8945 5.3019 5.3019 7.6949 7.6949 7.8534 7.8534 10.7433 10.7433 k = 0.6878 0.1299-0.1571 ( 9880 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8201 -10.8201 -10.3680 -10.3680 -10.2502 -10.2502 -10.1981 -10.1981 -10.1097 -10.1097 -10.0511 -10.0511 -0.9487 -0.9487 -0.5382 -0.5382 -0.3751 -0.3751 -0.0292 -0.0292 0.1178 0.1178 0.4801 0.4801 0.8103 0.8103 0.9243 0.9243 1.1017 1.1017 1.7560 1.7560 2.0893 2.0893 2.2173 2.2173 2.3533 2.3533 2.4871 2.4871 2.8519 2.8519 2.9983 2.9983 3.2278 3.2278 3.2768 3.2768 4.7194 4.7194 4.8957 4.8957 5.3036 5.3036 7.6889 7.6889 7.8469 7.8469 10.7554 10.7554 k = 0.6779 0.1368-0.1394 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8279 -10.8279 -10.3731 -10.3731 -10.2439 -10.2439 -10.1936 -10.1936 -10.1076 -10.1076 -10.0494 -10.0494 -0.9512 -0.9512 -0.5324 -0.5324 -0.3751 -0.3751 -0.0143 -0.0143 0.1194 0.1194 0.4592 0.4592 0.8071 0.8071 0.9217 0.9217 1.1104 1.1104 1.7598 1.7598 2.0826 2.0826 2.1984 2.1984 2.3495 2.3495 2.4891 2.4891 2.8674 2.8674 2.9955 2.9955 3.2180 3.2180 3.2729 3.2729 4.7268 4.7268 4.8964 4.8964 5.3038 5.3038 7.6845 7.6845 7.8410 7.8410 10.7651 10.7651 k = 0.6680 0.1437-0.1218 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8361 -10.8361 -10.3780 -10.3780 -10.2375 -10.2375 -10.1894 -10.1894 -10.1053 -10.1053 -10.0472 -10.0472 -0.9538 -0.9538 -0.5269 -0.5269 -0.3754 -0.3754 0.0013 0.0013 0.1229 0.1229 0.4403 0.4403 0.8027 0.8027 0.9159 0.9159 1.1162 1.1162 1.7624 1.7624 2.0645 2.0645 2.1866 2.1866 2.3480 2.3480 2.5018 2.5018 2.8755 2.8755 2.9962 2.9962 3.2077 3.2077 3.2723 3.2723 4.7337 4.7337 4.8965 4.8965 5.3026 5.3026 7.6821 7.6821 7.8358 7.8358 10.7720 10.7720 k = 0.6581 0.1506-0.1041 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8445 -10.8445 -10.3827 -10.3827 -10.2312 -10.2312 -10.1856 -10.1856 -10.1026 -10.1026 -10.0448 -10.0448 -0.9565 -0.9565 -0.5219 -0.5219 -0.3763 -0.3763 0.0173 0.0173 0.1286 0.1286 0.4236 0.4236 0.7974 0.7974 0.9074 0.9074 1.1184 1.1184 1.7632 1.7632 2.0373 2.0373 2.1818 2.1818 2.3469 2.3469 2.5256 2.5256 2.8734 2.8734 3.0022 3.0022 3.1992 3.1992 3.2733 3.2733 4.7399 4.7399 4.8962 4.8962 5.2999 5.2999 7.6816 7.6816 7.8313 7.8313 10.7760 10.7760 k = 0.6482 0.1575-0.0865 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8530 -10.8530 -10.3872 -10.3872 -10.2251 -10.2251 -10.1824 -10.1824 -10.0995 -10.0995 -10.0421 -10.0421 -0.9592 -0.9592 -0.5172 -0.5172 -0.3782 -0.3782 0.0337 0.0337 0.1367 0.1367 0.4094 0.4094 0.7915 0.7915 0.8967 0.8967 1.1166 1.1166 1.7612 1.7612 2.0056 2.0056 2.1819 2.1819 2.3456 2.3456 2.5592 2.5592 2.8616 2.8616 3.0129 3.0129 3.1940 3.1940 3.2749 3.2749 4.7449 4.7449 4.8955 4.8955 5.2960 5.2960 7.6833 7.6833 7.8273 7.8273 10.7771 10.7771 k = 0.6383 0.1644-0.0689 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8614 -10.8614 -10.3915 -10.3915 -10.2192 -10.2192 -10.1799 -10.1799 -10.0960 -10.0960 -10.0392 -10.0392 -0.9619 -0.9619 -0.5129 -0.5129 -0.3812 -0.3812 0.0506 0.0506 0.1471 0.1471 0.3980 0.3980 0.7852 0.7852 0.8842 0.8842 1.1104 1.1104 1.7557 1.7557 1.9733 1.9733 2.1852 2.1852 2.3445 2.3445 2.6001 2.6001 2.8424 2.8424 3.0259 3.0259 3.1925 3.1925 3.2769 3.2769 4.7485 4.7485 4.8945 4.8945 5.2910 5.2910 7.6870 7.6870 7.8239 7.8239 10.7752 10.7752 k = 0.6285 0.1712-0.0512 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8698 -10.8698 -10.3956 -10.3956 -10.2137 -10.2137 -10.1779 -10.1779 -10.0921 -10.0921 -10.0360 -10.0360 -0.9645 -0.9645 -0.5088 -0.5088 -0.3855 -0.3855 0.0681 0.0681 0.1593 0.1593 0.3895 0.3895 0.7786 0.7786 0.8706 0.8706 1.0999 1.0999 1.7458 1.7458 1.9430 1.9430 2.1913 2.1913 2.3440 2.3440 2.6460 2.6460 2.8186 2.8186 3.0386 3.0386 3.1950 3.1950 3.2793 3.2793 4.7500 4.7500 4.8934 4.8934 5.2850 5.2850 7.6927 7.6927 7.8210 7.8210 10.7707 10.7707 k = 0.6186 0.1781-0.0336 ( 9890 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8778 -10.8778 -10.3994 -10.3994 -10.2084 -10.2084 -10.1766 -10.1766 -10.0879 -10.0879 -10.0327 -10.0327 -0.9671 -0.9671 -0.5049 -0.5049 -0.3909 -0.3909 0.0864 0.0864 0.1727 0.1727 0.3842 0.3842 0.7717 0.7717 0.8562 0.8562 1.0853 1.0853 1.7309 1.7309 1.9166 1.9166 2.1997 2.1997 2.3444 2.3444 2.6939 2.6939 2.7927 2.7927 3.0496 3.0496 3.2009 3.2009 3.2825 3.2825 4.7493 4.7493 4.8924 4.8924 5.2783 5.2783 7.7003 7.7003 7.8187 7.8187 10.7637 10.7637 k = 0.6087 0.1850-0.0159 ( 9890 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8855 -10.8855 -10.4029 -10.4029 -10.2035 -10.2035 -10.1757 -10.1757 -10.0837 -10.0837 -10.0292 -10.0292 -0.9695 -0.9695 -0.5013 -0.5013 -0.3971 -0.3971 0.1056 0.1056 0.1865 0.1865 0.3823 0.3823 0.7647 0.7647 0.8414 0.8414 1.0668 1.0668 1.7111 1.7111 1.8949 1.8949 2.2103 2.2103 2.3458 2.3458 2.7334 2.7334 2.7749 2.7749 3.0581 3.0581 3.2093 3.2093 3.2873 3.2873 4.7460 4.7460 4.8917 4.8917 5.2710 5.2710 7.7095 7.7095 7.8168 7.8168 10.7547 10.7547 k = 0.5988 0.1919 0.0017 ( 9894 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8929 -10.8929 -10.4061 -10.4061 -10.1991 -10.1991 -10.1753 -10.1753 -10.0795 -10.0795 -10.0256 -10.0256 -0.9719 -0.9719 -0.4981 -0.4981 -0.4039 -0.4039 0.1253 0.1253 0.2000 0.2000 0.3841 0.3841 0.7576 0.7576 0.8266 0.8266 1.0451 1.0451 1.6872 1.6872 1.8781 1.8781 2.2226 2.2226 2.3482 2.3482 2.7230 2.7230 2.8058 2.8058 3.0641 3.0641 3.2183 3.2183 3.2949 3.2949 4.7401 4.7401 4.8914 4.8914 5.2636 5.2636 7.7200 7.7200 7.8154 7.8154 10.7442 10.7442 k = 0.5889 0.1988 0.0194 ( 9888 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8997 -10.8997 -10.4090 -10.4090 -10.1950 -10.1950 -10.1752 -10.1752 -10.0755 -10.0755 -10.0220 -10.0220 -0.9742 -0.9742 -0.4952 -0.4952 -0.4108 -0.4108 0.1451 0.1451 0.2129 0.2129 0.3898 0.3898 0.7502 0.7502 0.8120 0.8120 1.0207 1.0207 1.6607 1.6607 1.8654 1.8654 2.2363 2.2363 2.3514 2.3514 2.6950 2.6950 2.8528 2.8528 3.0679 3.0679 3.2258 3.2258 3.3067 3.3067 4.7315 4.7315 4.8914 4.8914 5.2562 5.2562 7.7314 7.7314 7.8144 7.8144 10.7325 10.7325 k = 0.5791 0.2057 0.0370 ( 9888 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9059 -10.9059 -10.4117 -10.4117 -10.1913 -10.1913 -10.1753 -10.1753 -10.0718 -10.0718 -10.0185 -10.0185 -0.9763 -0.9763 -0.4929 -0.4929 -0.4174 -0.4174 0.1641 0.1641 0.2252 0.2252 0.3993 0.3993 0.7427 0.7427 0.7980 0.7980 0.9945 0.9945 1.6332 1.6332 1.8559 1.8559 2.2509 2.2509 2.3555 2.3555 2.6656 2.6656 2.8987 2.8987 3.0701 3.0701 3.2302 3.2302 3.3232 3.3232 4.7207 4.7207 4.8918 4.8918 5.2490 5.2490 7.7434 7.7434 7.8138 7.8138 10.7202 10.7202 k = 0.5692 0.2126 0.0546 ( 9880 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9116 -10.9116 -10.4140 -10.4140 -10.1880 -10.1880 -10.1755 -10.1755 -10.0685 -10.0685 -10.0150 -10.0150 -0.9782 -0.9782 -0.4913 -0.4913 -0.4232 -0.4232 0.1810 0.1810 0.2374 0.2374 0.4122 0.4122 0.7351 0.7351 0.7847 0.7847 0.9672 0.9672 1.6061 1.6061 1.8487 1.8487 2.2659 2.2659 2.3602 2.3602 2.6367 2.6367 2.9414 2.9414 3.0713 3.0713 3.2317 3.2317 3.3435 3.3435 4.7082 4.7082 4.8925 4.8925 5.2423 5.2423 7.7553 7.7553 7.8137 7.8137 10.7079 10.7079 k = 0.5593 0.2195 0.0723 ( 9870 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9166 -10.9166 -10.4160 -10.4160 -10.1852 -10.1852 -10.1759 -10.1759 -10.0656 -10.0656 -10.0118 -10.0118 -0.9800 -0.9800 -0.4905 -0.4905 -0.4281 -0.4281 0.1947 0.1947 0.2505 0.2505 0.4279 0.4279 0.7272 0.7272 0.7723 0.7723 0.9400 0.9400 1.5806 1.5806 1.8433 1.8433 2.2808 2.2808 2.3656 2.3656 2.6090 2.6090 2.9794 2.9794 3.0719 3.0719 3.2308 3.2308 3.3661 3.3661 4.6947 4.6947 4.8932 4.8932 5.2362 5.2362 7.7666 7.7666 7.8140 7.8140 10.6960 10.6960 k = 0.5494 0.2264 0.0899 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9209 -10.9209 -10.4177 -10.4177 -10.1828 -10.1828 -10.1762 -10.1762 -10.0631 -10.0631 -10.0089 -10.0089 -0.9815 -0.9815 -0.4904 -0.4904 -0.4318 -0.4318 0.2045 0.2045 0.2646 0.2646 0.4455 0.4455 0.7192 0.7192 0.7608 0.7608 0.9137 0.9137 1.5576 1.5576 1.8391 1.8391 2.2950 2.2950 2.3716 2.3716 2.5830 2.5830 3.0120 3.0120 3.0726 3.0726 3.2283 3.2283 3.3892 3.3892 4.6809 4.6809 4.8939 4.8939 5.2309 5.2309 7.7768 7.7768 7.8149 7.8149 10.6851 10.6851 k = 0.5395 0.2333 0.1076 ( 9866 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9245 -10.9245 -10.4191 -10.4191 -10.1808 -10.1808 -10.1766 -10.1766 -10.0611 -10.0611 -10.0063 -10.0063 -0.9829 -0.9829 -0.4909 -0.4909 -0.4344 -0.4344 0.2110 0.2110 0.2788 0.2788 0.4639 0.4639 0.7114 0.7114 0.7503 0.7503 0.8899 0.8899 1.5378 1.5378 1.8360 1.8360 2.3077 2.3077 2.3782 2.3782 2.5591 2.5591 3.0378 3.0378 3.0748 3.0748 3.2247 3.2247 3.4112 3.4112 4.6678 4.6678 4.8946 4.8946 5.2265 5.2265 7.7850 7.7850 7.8164 7.8164 10.6754 10.6754 k = 0.5296 0.2402 0.1252 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9273 -10.9273 -10.4202 -10.4202 -10.1793 -10.1793 -10.1769 -10.1769 -10.0596 -10.0596 -10.0043 -10.0043 -0.9839 -0.9839 -0.4918 -0.4918 -0.4360 -0.4360 0.2151 0.2151 0.2916 0.2916 0.4818 0.4818 0.7040 0.7040 0.7408 0.7408 0.8697 0.8697 1.5218 1.5218 1.8338 1.8338 2.3183 2.3183 2.3854 2.3854 2.5379 2.5379 3.0535 3.0535 3.0814 3.0814 3.2207 3.2207 3.4303 3.4303 4.6563 4.6563 4.8951 4.8951 5.2230 5.2230 7.7911 7.7911 7.8186 7.8186 10.6675 10.6675 k = 0.5198 0.2471 0.1429 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9293 -10.9293 -10.4210 -10.4210 -10.1782 -10.1782 -10.1771 -10.1771 -10.0585 -10.0585 -10.0028 -10.0028 -0.9847 -0.9847 -0.4926 -0.4926 -0.4369 -0.4369 0.2176 0.2176 0.3017 0.3017 0.4972 0.4972 0.6975 0.6975 0.7328 0.7328 0.8546 0.8546 1.5100 1.5100 1.8323 1.8323 2.3262 2.3262 2.3927 2.3927 2.5206 2.5206 3.0593 3.0593 3.0922 3.0922 3.2167 3.2167 3.4452 3.4452 4.6473 4.6473 4.8955 4.8955 5.2205 5.2205 7.7949 7.7949 7.8210 7.8210 10.6617 10.6617 k = 0.5099 0.2540 0.1605 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9305 -10.9305 -10.4215 -10.4215 -10.1776 -10.1776 -10.1773 -10.1773 -10.0578 -10.0578 -10.0018 -10.0018 -0.9852 -0.9852 -0.4933 -0.4933 -0.4373 -0.4373 0.2189 0.2189 0.3082 0.3082 0.5080 0.5080 0.6928 0.6928 0.7274 0.7274 0.8452 0.8452 1.5029 1.5029 1.8314 1.8314 2.3310 2.3310 2.3985 2.3985 2.5087 2.5087 3.0609 3.0609 3.1010 3.1010 3.2138 3.2138 3.4547 3.4547 4.6415 4.6415 4.8958 4.8958 5.2190 5.2190 7.7969 7.7969 7.8228 7.8228 10.6581 10.6581 k = 0.5000 0.2609 0.1781 ( 9902 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.9309 -10.9309 -10.4217 -10.4217 -10.1774 -10.1774 -10.1773 -10.1773 -10.0576 -10.0576 -10.0015 -10.0015 -0.9853 -0.9853 -0.4935 -0.4935 -0.4374 -0.4374 0.2193 0.2193 0.3104 0.3104 0.5119 0.5119 0.6910 0.6910 0.7255 0.7255 0.8420 0.8420 1.5004 1.5004 1.8311 1.8311 2.3325 2.3325 2.4008 2.4008 2.5044 2.5044 3.0612 3.0612 3.1042 3.1042 3.2127 3.2127 3.4579 3.4579 4.6396 4.6396 4.8959 4.8959 5.2184 5.2184 7.7975 7.7975 7.8235 7.8235 10.6568 10.6568 k = 0.5000 0.2609 0.1781 ( 9902 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.9309 -10.9309 -10.4217 -10.4217 -10.1774 -10.1774 -10.1773 -10.1773 -10.0576 -10.0576 -10.0015 -10.0015 -0.9853 -0.9853 -0.4935 -0.4935 -0.4374 -0.4374 0.2193 0.2193 0.3104 0.3104 0.5119 0.5119 0.6910 0.6910 0.7255 0.7255 0.8420 0.8420 1.5004 1.5004 1.8311 1.8311 2.3325 2.3325 2.4008 2.4008 2.5044 2.5044 3.0612 3.0612 3.1042 3.1042 3.2127 3.2127 3.4579 3.4579 4.6396 4.6396 4.8959 4.8959 5.2184 5.2184 7.7975 7.7975 7.8235 7.8235 10.6568 10.6568 k = 0.4815 0.2512 0.1715 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9322 -10.9322 -10.4201 -10.4201 -10.1774 -10.1774 -10.1774 -10.1774 -10.0575 -10.0575 -10.0015 -10.0015 -0.9860 -0.9860 -0.4929 -0.4929 -0.4369 -0.4369 0.2140 0.2140 0.3073 0.3073 0.5061 0.5061 0.6949 0.6949 0.7274 0.7274 0.8436 0.8436 1.5041 1.5041 1.8337 1.8337 2.3324 2.3324 2.3998 2.3998 2.5048 2.5048 3.0618 3.0618 3.1058 3.1058 3.2136 3.2136 3.4586 3.4586 4.6392 4.6392 4.8954 4.8954 5.2180 5.2180 7.7982 7.7982 7.8242 7.8242 10.6548 10.6548 k = 0.4630 0.2415 0.1649 ( 9860 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9360 -10.9360 -10.4156 -10.4156 -10.1776 -10.1776 -10.1776 -10.1776 -10.0572 -10.0572 -10.0012 -10.0012 -0.9878 -0.9878 -0.4909 -0.4909 -0.4351 -0.4351 0.1986 0.1986 0.2984 0.2984 0.4902 0.4902 0.7051 0.7051 0.7327 0.7327 0.8480 0.8480 1.5143 1.5143 1.8420 1.8420 2.3321 2.3321 2.3972 2.3972 2.5058 2.5058 3.0635 3.0635 3.1105 3.1105 3.2162 3.2162 3.4606 3.4606 4.6380 4.6380 4.8940 4.8940 5.2167 5.2167 7.8002 7.8002 7.8261 7.8261 10.6490 10.6490 k = 0.4444 0.2319 0.1583 ( 9845 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9421 -10.9421 -10.4083 -10.4083 -10.1779 -10.1779 -10.1779 -10.1779 -10.0568 -10.0568 -10.0009 -10.0009 -0.9910 -0.9910 -0.4877 -0.4877 -0.4322 -0.4322 0.1745 0.1745 0.2844 0.2844 0.4676 0.4676 0.7184 0.7184 0.7407 0.7407 0.8544 0.8544 1.5290 1.5290 1.8571 1.8571 2.3319 2.3319 2.3933 2.3933 2.5073 2.5073 3.0662 3.0662 3.1182 3.1182 3.2203 3.2203 3.4640 3.4640 4.6360 4.6360 4.8917 4.8917 5.2145 5.2145 7.8037 7.8037 7.8293 7.8293 10.6396 10.6396 k = 0.4259 0.2222 0.1518 ( 9842 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9502 -10.9502 -10.3986 -10.3986 -10.1784 -10.1784 -10.1783 -10.1783 -10.0561 -10.0561 -10.0004 -10.0004 -0.9956 -0.9956 -0.4833 -0.4833 -0.4281 -0.4281 0.1434 0.1434 0.2664 0.2664 0.4410 0.4410 0.7324 0.7324 0.7501 0.7501 0.8619 0.8619 1.5454 1.5454 1.8808 1.8808 2.3322 2.3322 2.3891 2.3891 2.5089 2.5089 3.0697 3.0697 3.1285 3.1285 3.2258 3.2258 3.4686 3.4686 4.6331 4.6331 4.8884 4.8884 5.2113 5.2113 7.8085 7.8085 7.8338 7.8338 10.6272 10.6272 k = 0.4074 0.2125 0.1452 ( 9845 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9601 -10.9601 -10.3866 -10.3866 -10.1789 -10.1789 -10.1788 -10.1788 -10.0553 -10.0553 -9.9998 -9.9998 -1.0016 -1.0016 -0.4776 -0.4776 -0.4230 -0.4230 0.1075 0.1075 0.2454 0.2454 0.4124 0.4124 0.7452 0.7452 0.7598 0.7598 0.8698 0.8698 1.5605 1.5605 1.9144 1.9144 2.3335 2.3335 2.3854 2.3854 2.5105 2.5105 3.0740 3.0740 3.1411 3.1411 3.2321 3.2321 3.4745 3.4745 4.6295 4.6295 4.8843 4.8843 5.2074 5.2074 7.8146 7.8146 7.8394 7.8394 10.6121 10.6121 k = 0.3889 0.2029 0.1386 ( 9851 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9714 -10.9714 -10.3728 -10.3728 -10.1796 -10.1796 -10.1795 -10.1795 -10.0544 -10.0544 -9.9991 -9.9991 -1.0092 -1.0092 -0.4709 -0.4709 -0.4169 -0.4169 0.0686 0.0686 0.2226 0.2226 0.3831 0.3831 0.7558 0.7558 0.7686 0.7686 0.8771 0.8771 1.5726 1.5726 1.9585 1.9585 2.3363 2.3363 2.3829 2.3829 2.5120 2.5120 3.0790 3.0790 3.1555 3.1555 3.2390 3.2390 3.4814 3.4814 4.6249 4.6249 4.8794 4.8794 5.2025 5.2025 7.8219 7.8219 7.8462 7.8462 10.5942 10.5942 k = 0.3704 0.1932 0.1320 ( 9860 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9839 -10.9839 -10.3576 -10.3576 -10.1803 -10.1803 -10.1802 -10.1802 -10.0532 -10.0532 -9.9982 -9.9982 -1.0186 -1.0186 -0.4632 -0.4632 -0.4098 -0.4098 0.0284 0.0284 0.1987 0.1987 0.3540 0.3540 0.7636 0.7636 0.7755 0.7755 0.8835 0.8835 1.5809 1.5809 2.0120 2.0120 2.3413 2.3413 2.3821 2.3821 2.5137 2.5137 3.0846 3.0846 3.1712 3.1712 3.2462 3.2462 3.4892 3.4892 4.6195 4.6195 4.8736 4.8736 5.1968 5.1968 7.8304 7.8304 7.8541 7.8541 10.5726 10.5726 k = 0.3519 0.1836 0.1254 ( 9851 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9970 -10.9970 -10.3413 -10.3413 -10.1811 -10.1811 -10.1810 -10.1810 -10.0520 -10.0520 -9.9973 -9.9973 -1.0297 -1.0297 -0.4546 -0.4546 -0.4019 -0.4019 -0.0116 -0.0116 0.1747 0.1747 0.3257 0.3257 0.7682 0.7682 0.7797 0.7797 0.8882 0.8882 1.5860 1.5860 2.0730 2.0730 2.3489 2.3489 2.3834 2.3834 2.5161 2.5161 3.0909 3.0909 3.1877 3.1877 3.2531 3.2531 3.4978 3.4978 4.6131 4.6131 4.8672 4.8672 5.1903 5.1903 7.8399 7.8399 7.8630 7.8630 10.5460 10.5460 k = 0.3333 0.1739 0.1188 ( 9833 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0107 -11.0107 -10.3243 -10.3243 -10.1820 -10.1820 -10.1818 -10.1818 -10.0506 -10.0506 -9.9963 -9.9963 -1.0427 -1.0427 -0.4453 -0.4453 -0.3933 -0.3933 -0.0503 -0.0503 0.1511 0.1511 0.2986 0.2986 0.7695 0.7695 0.7808 0.7808 0.8908 0.8908 1.5889 1.5889 2.1388 2.1388 2.3595 2.3595 2.3867 2.3867 2.5203 2.5203 3.0979 3.0979 3.2045 3.2045 3.2596 3.2596 3.5071 3.5071 4.6057 4.6057 4.8600 4.8600 5.1829 5.1829 7.8505 7.8505 7.8727 7.8727 10.5122 10.5122 k = 0.3148 0.1642 0.1122 ( 9857 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0246 -11.0246 -10.3068 -10.3068 -10.1829 -10.1829 -10.1828 -10.1828 -10.0491 -10.0491 -9.9953 -9.9953 -1.0576 -1.0576 -0.4355 -0.4355 -0.3841 -0.3841 -0.0868 -0.0868 0.1285 0.1285 0.2732 0.2732 0.7673 0.7673 0.7782 0.7782 0.8912 0.8912 1.5907 1.5907 2.2066 2.2066 2.3735 2.3735 2.3915 2.3915 2.5280 2.5280 3.1053 3.1053 3.2216 3.2216 3.2652 3.2652 3.5167 3.5167 4.5973 4.5973 4.8523 4.8523 5.1748 5.1748 7.8619 7.8619 7.8833 7.8833 10.4691 10.4691 k = 0.2963 0.1546 0.1056 ( 9866 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0386 -11.0386 -10.2891 -10.2891 -10.1838 -10.1838 -10.1837 -10.1837 -10.0475 -10.0475 -9.9942 -9.9942 -1.0743 -1.0743 -0.4254 -0.4254 -0.3745 -0.3745 -0.1203 -0.1203 0.1075 0.1075 0.2499 0.2499 0.7617 0.7617 0.7718 0.7718 0.8892 0.8892 1.5922 1.5922 2.2724 2.2724 2.3910 2.3910 2.3972 2.3972 2.5421 2.5421 3.1131 3.1131 3.2386 3.2386 3.2699 3.2699 3.5265 3.5265 4.5877 4.5877 4.8440 4.8440 5.1660 5.1660 7.8740 7.8740 7.8944 7.8944 10.4156 10.4156 k = 0.2778 0.1449 0.0990 ( 9875 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0523 -11.0523 -10.2715 -10.2715 -10.1848 -10.1848 -10.1847 -10.1847 -10.0457 -10.0457 -9.9930 -9.9930 -1.0928 -1.0928 -0.4152 -0.4152 -0.3648 -0.3648 -0.1505 -0.1505 0.0886 0.0886 0.2290 0.2290 0.7527 0.7527 0.7616 0.7616 0.8848 0.8848 1.5941 1.5941 2.3294 2.3294 2.4056 2.4056 2.4121 2.4121 2.5656 2.5656 3.1212 3.1212 3.2559 3.2559 3.2732 3.2732 3.5364 3.5364 4.5771 4.5771 4.8353 4.8353 5.1564 5.1564 7.8867 7.8867 7.9061 7.9061 10.3522 10.3522 k = 0.2593 0.1353 0.0924 ( 9863 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0658 -11.0658 -10.2543 -10.2543 -10.1857 -10.1857 -10.1857 -10.1857 -10.0439 -10.0439 -9.9919 -9.9919 -1.1127 -1.1127 -0.4053 -0.4053 -0.3552 -0.3552 -0.1771 -0.1771 0.0723 0.0723 0.2108 0.2108 0.7402 0.7402 0.7476 0.7476 0.8782 0.8782 1.5971 1.5971 2.3630 2.3630 2.4274 2.4274 2.4366 2.4366 2.6012 2.6012 3.1292 3.1292 3.2736 3.2736 3.2750 3.2750 3.5461 3.5461 4.5652 4.5652 4.8263 4.8263 5.1462 5.1462 7.8998 7.8998 7.9181 7.9181 10.2811 10.2811 k = 0.2407 0.1256 0.0858 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.0788 -11.0788 -10.2375 -10.2375 -10.1867 -10.1867 -10.1866 -10.1866 -10.0420 -10.0420 -9.9908 -9.9908 -1.1338 -1.1338 -0.3960 -0.3960 -0.3460 -0.3460 -0.1999 -0.1999 0.0590 0.0590 0.1957 0.1957 0.7244 0.7244 0.7301 0.7301 0.8699 0.8699 1.6013 1.6013 2.3694 2.3694 2.4642 2.4642 2.4654 2.4654 2.6480 2.6480 3.1368 3.1368 3.2751 3.2751 3.2924 3.2924 3.5556 3.5556 4.5520 4.5520 4.8170 4.8170 5.1356 5.1356 7.9130 7.9130 7.9303 7.9303 10.2048 10.2048 k = 0.2222 0.1159 0.0792 ( 9899 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.0912 -11.0912 -10.2215 -10.2215 -10.1876 -10.1876 -10.1875 -10.1875 -10.0400 -10.0400 -9.9897 -9.9897 -1.1557 -1.1557 -0.3877 -0.3877 -0.3375 -0.3375 -0.2189 -0.2189 0.0491 0.0491 0.1839 0.1839 0.7053 0.7053 0.7096 0.7096 0.8602 0.8602 1.6071 1.6071 2.3644 2.3644 2.4947 2.4947 2.5057 2.5057 2.7021 2.7021 3.1434 3.1434 3.2734 3.2734 3.3134 3.3134 3.5647 3.5647 4.5374 4.5374 4.8076 4.8076 5.1245 5.1245 7.9263 7.9263 7.9424 7.9424 10.1261 10.1261 k = 0.2037 0.1063 0.0726 ( 9905 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1029 -11.1029 -10.2065 -10.2065 -10.1885 -10.1885 -10.1883 -10.1883 -10.0380 -10.0380 -9.9886 -9.9886 -1.1780 -1.1780 -0.3805 -0.3805 -0.3302 -0.3302 -0.2341 -0.2341 0.0430 0.0430 0.1757 0.1757 0.6834 0.6834 0.6862 0.6862 0.8494 0.8494 1.6145 1.6145 2.3547 2.3547 2.5275 2.5275 2.5451 2.5451 2.7582 2.7582 3.1485 3.1485 3.2696 3.2696 3.3374 3.3374 3.5734 3.5734 4.5215 4.5215 4.7982 4.7982 5.1131 5.1131 7.9395 7.9395 7.9544 7.9544 10.0472 10.0472 k = 0.1852 0.0966 0.0660 ( 9893 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.1139 -11.1139 -10.1934 -10.1934 -10.1894 -10.1894 -10.1881 -10.1881 -10.0358 -10.0358 -9.9875 -9.9875 -1.2002 -1.2002 -0.3748 -0.3748 -0.3244 -0.3244 -0.2456 -0.2456 0.0407 0.0407 0.1712 0.1712 0.6589 0.6589 0.6607 0.6607 0.8379 0.8379 1.6233 1.6233 2.3424 2.3424 2.5623 2.5623 2.5840 2.5840 2.8122 2.8122 3.1514 3.1514 3.2638 3.2638 3.3658 3.3658 3.5815 3.5815 4.5042 4.5042 4.7890 4.7890 5.1016 5.1016 7.9522 7.9522 7.9661 7.9661 9.9700 9.9700 k = 0.1667 0.0870 0.0594 ( 9902 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1240 -11.1240 -10.1907 -10.1907 -10.1902 -10.1902 -10.1785 -10.1785 -10.0337 -10.0337 -9.9866 -9.9866 -1.2218 -1.2218 -0.3707 -0.3707 -0.3207 -0.3207 -0.2536 -0.2536 0.0425 0.0425 0.1707 0.1707 0.6322 0.6322 0.6334 0.6334 0.8263 0.8263 1.6335 1.6335 2.3283 2.3283 2.5984 2.5984 2.6229 2.6229 2.8611 2.8611 3.1516 3.1516 3.2558 3.2558 3.3991 3.3991 3.5891 3.5891 4.4855 4.4855 4.7800 4.7800 5.0901 5.0901 7.9645 7.9645 7.9772 7.9772 9.8961 9.8961 k = 0.1481 0.0773 0.0528 ( 9888 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.1332 -11.1332 -10.1912 -10.1912 -10.1910 -10.1910 -10.1670 -10.1670 -10.0315 -10.0315 -9.9857 -9.9857 -1.2424 -1.2424 -0.3680 -0.3680 -0.3189 -0.3189 -0.2583 -0.2583 0.0480 0.0480 0.1740 0.1740 0.6038 0.6038 0.6050 0.6050 0.8147 0.8147 1.6445 1.6445 2.3134 2.3134 2.6352 2.6352 2.6620 2.6620 2.9032 2.9032 3.1488 3.1488 3.2457 3.2457 3.4374 3.4374 3.5962 3.5962 4.4656 4.4656 4.7715 4.7715 5.0789 5.0789 7.9759 7.9759 7.9876 7.9876 9.8268 9.8268 k = 0.1296 0.0676 0.0462 ( 9912 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1415 -11.1415 -10.1919 -10.1919 -10.1917 -10.1917 -10.1566 -10.1566 -10.0293 -10.0293 -9.9848 -9.9848 -1.2617 -1.2617 -0.3666 -0.3666 -0.3189 -0.3189 -0.2604 -0.2604 0.0568 0.0568 0.1810 0.1810 0.5742 0.5742 0.5760 0.5760 0.8035 0.8035 1.6562 1.6562 2.2981 2.2981 2.6720 2.6720 2.7009 2.7009 2.9380 2.9380 3.1430 3.1430 3.2337 3.2337 3.4797 3.4797 3.6025 3.6025 4.4447 4.4447 4.7635 4.7635 5.0682 5.0682 7.9865 7.9865 7.9971 7.9971 9.7632 9.7632 k = 0.1111 0.0580 0.0396 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1487 -11.1487 -10.1924 -10.1924 -10.1923 -10.1923 -10.1477 -10.1477 -10.0272 -10.0272 -9.9841 -9.9841 -1.2791 -1.2791 -0.3663 -0.3663 -0.3200 -0.3200 -0.2608 -0.2608 0.0684 0.0684 0.1915 0.1915 0.5439 0.5439 0.5472 0.5472 0.7932 0.7932 1.6681 1.6681 2.2830 2.2830 2.7082 2.7082 2.7394 2.7394 2.9656 2.9656 3.1343 3.1343 3.2200 3.2200 3.5243 3.5243 3.6082 3.6082 4.4230 4.4230 4.7562 4.7562 5.0583 5.0583 7.9960 7.9960 8.0057 8.0057 9.7062 9.7062 k = 0.0926 0.0483 0.0330 ( 9921 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1549 -11.1549 -10.1929 -10.1929 -10.1929 -10.1929 -10.1401 -10.1401 -10.0252 -10.0252 -9.9835 -9.9835 -1.2944 -1.2944 -0.3667 -0.3667 -0.3216 -0.3216 -0.2603 -0.2603 0.0818 0.0818 0.2051 0.2051 0.5136 0.5136 0.5193 0.5193 0.7838 0.7838 1.6795 1.6795 2.2688 2.2688 2.7428 2.7428 2.7768 2.7768 2.9863 2.9863 3.1234 3.1234 3.2051 3.2051 3.5690 3.5690 3.6132 3.6132 4.4013 4.4013 4.7498 4.7498 5.0493 5.0493 8.0042 8.0042 8.0131 8.0131 9.6566 9.6566 k = 0.0741 0.0386 0.0264 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1600 -11.1600 -10.1933 -10.1933 -10.1933 -10.1933 -10.1339 -10.1339 -10.0234 -10.0234 -9.9829 -9.9829 -1.3073 -1.3073 -0.3675 -0.3675 -0.3233 -0.3233 -0.2595 -0.2595 0.0962 0.0962 0.2210 0.2210 0.4839 0.4839 0.4933 0.4933 0.7758 0.7758 1.6900 1.6900 2.2559 2.2559 2.7747 2.7747 2.8126 2.8126 3.0004 3.0004 3.1112 3.1112 3.1898 3.1898 3.6112 3.6112 3.6173 3.6173 4.3804 4.3804 4.7443 4.7443 5.0416 5.0416 8.0112 8.0112 8.0193 8.0193 9.6151 9.6151 k = 0.0556 0.0290 0.0198 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1640 -11.1640 -10.1937 -10.1937 -10.1937 -10.1937 -10.1292 -10.1292 -10.0219 -10.0219 -9.9825 -9.9825 -1.3176 -1.3176 -0.3685 -0.3685 -0.3247 -0.3247 -0.2586 -0.2586 0.1101 0.1101 0.2382 0.2382 0.4559 0.4559 0.4705 0.4705 0.7693 0.7693 1.6990 1.6990 2.2452 2.2452 2.8026 2.8026 2.8457 2.8457 3.0079 3.0079 3.0993 3.0993 3.1750 3.1750 3.6206 3.6206 3.6482 3.6482 4.3615 4.3615 4.7400 4.7400 5.0353 5.0353 8.0166 8.0166 8.0243 8.0243 9.5823 9.5823 k = 0.0370 0.0193 0.0132 ( 9897 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1668 -11.1668 -10.1940 -10.1940 -10.1939 -10.1939 -10.1258 -10.1258 -10.0208 -10.0208 -9.9822 -9.9822 -1.3251 -1.3251 -0.3694 -0.3694 -0.3259 -0.3259 -0.2579 -0.2579 0.1219 0.1219 0.2552 0.2552 0.4313 0.4313 0.4524 0.4524 0.7646 0.7646 1.7059 1.7059 2.2370 2.2370 2.8248 2.8248 2.8745 2.8745 3.0088 3.0088 3.0899 3.0899 3.1624 3.1624 3.6230 3.6230 3.6773 3.6773 4.3462 4.3462 4.7368 4.7368 5.0307 5.0307 8.0206 8.0206 8.0279 8.0279 9.5585 9.5585 k = 0.0185 0.0097 0.0066 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1686 -11.1686 -10.1941 -10.1941 -10.1940 -10.1940 -10.1238 -10.1238 -10.0201 -10.0201 -9.9820 -9.9820 -1.3296 -1.3296 -0.3700 -0.3700 -0.3266 -0.3266 -0.2575 -0.2575 0.1300 0.1300 0.2686 0.2686 0.4133 0.4133 0.4405 0.4405 0.7616 0.7616 1.7103 1.7103 2.2318 2.2318 2.8393 2.8393 2.8959 2.8959 3.0050 3.0050 3.0844 3.0844 3.1537 3.1537 3.6245 3.6245 3.6959 3.6959 4.3362 4.3362 4.7348 4.7348 5.0279 5.0279 8.0230 8.0230 8.0300 8.0300 9.5441 9.5441 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1691 -11.1691 -10.1942 -10.1942 -10.1941 -10.1941 -10.1232 -10.1232 -10.0198 -10.0198 -9.9820 -9.9820 -1.3311 -1.3311 -0.3702 -0.3702 -0.3268 -0.3268 -0.2573 -0.2573 0.1329 0.1329 0.2741 0.2741 0.4063 0.4063 0.4364 0.4364 0.7607 0.7607 1.7118 1.7118 2.2301 2.2301 2.8444 2.8444 2.9042 2.9042 3.0023 3.0023 3.0827 3.0827 3.1506 3.1506 3.6250 3.6250 3.7024 3.7024 4.3326 4.3326 4.7342 4.7342 5.0269 5.0269 8.0238 8.0238 8.0307 8.0307 9.5392 9.5392 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1691 -11.1691 -10.1942 -10.1942 -10.1941 -10.1941 -10.1232 -10.1232 -10.0198 -10.0198 -9.9820 -9.9820 -1.3311 -1.3311 -0.3702 -0.3702 -0.3268 -0.3268 -0.2573 -0.2573 0.1329 0.1329 0.2741 0.2741 0.4063 0.4063 0.4364 0.4364 0.7607 0.7607 1.7118 1.7118 2.2301 2.2301 2.8444 2.8444 2.9042 2.9042 3.0023 3.0023 3.0827 3.0827 3.1506 3.1506 3.6250 3.6250 3.7024 3.7024 4.3326 4.3326 4.7342 4.7342 5.0269 5.0269 8.0238 8.0238 8.0307 8.0307 9.5392 9.5392 k = 0.0099-0.0069-0.0177 ( 9889 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -11.1686 -11.1686 -10.1943 -10.1943 -10.1942 -10.1942 -10.1231 -10.1231 -10.0200 -10.0200 -9.9823 -9.9823 -1.3307 -1.3307 -0.3700 -0.3700 -0.3267 -0.3267 -0.2573 -0.2573 0.1303 0.1303 0.2701 0.2701 0.4089 0.4089 0.4400 0.4400 0.7629 0.7629 1.7142 1.7142 2.2316 2.2316 2.8425 2.8425 2.9031 2.9031 3.0015 3.0015 3.0745 3.0745 3.1565 3.1565 3.6222 3.6222 3.7015 3.7015 4.3345 4.3345 4.7341 4.7341 5.0273 5.0273 8.0232 8.0232 8.0301 8.0301 9.5440 9.5440 k = 0.0198-0.0138-0.0354 ( 9897 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1670 -11.1670 -10.1949 -10.1949 -10.1947 -10.1947 -10.1227 -10.1227 -10.0207 -10.0207 -9.9833 -9.9833 -1.3296 -1.3296 -0.3694 -0.3694 -0.3263 -0.3263 -0.2573 -0.2573 0.1230 0.1230 0.2592 0.2592 0.4157 0.4157 0.4502 0.4502 0.7694 0.7694 1.7214 1.7214 2.2360 2.2360 2.8369 2.8369 2.8999 2.8999 2.9986 2.9986 3.0558 3.0558 3.1689 3.1689 3.6139 3.6139 3.6991 3.6991 4.3402 4.3402 4.7338 4.7338 5.0285 5.0285 8.0209 8.0209 8.0285 8.0285 9.5584 9.5584 k = 0.0297-0.0207-0.0531 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1643 -11.1643 -10.1958 -10.1958 -10.1954 -10.1954 -10.1222 -10.1222 -10.0217 -10.0217 -9.9850 -9.9850 -1.3276 -1.3276 -0.3688 -0.3688 -0.3255 -0.3255 -0.2572 -0.2572 0.1117 0.1117 0.2438 0.2438 0.4253 0.4253 0.4657 0.4657 0.7801 0.7801 1.7333 1.7333 2.2432 2.2432 2.8275 2.8275 2.8946 2.8946 2.9915 2.9915 3.0343 3.0343 3.1820 3.1820 3.6002 3.6002 3.6955 3.6955 4.3492 4.3492 4.7333 4.7333 5.0305 5.0305 8.0163 8.0163 8.0270 8.0270 9.5821 9.5821 k = 0.0396-0.0276-0.0708 ( 9903 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1606 -11.1606 -10.1970 -10.1970 -10.1964 -10.1964 -10.1216 -10.1216 -10.0232 -10.0232 -9.9872 -9.9872 -1.3249 -1.3249 -0.3684 -0.3684 -0.3239 -0.3239 -0.2570 -0.2570 0.0976 0.0976 0.2257 0.2257 0.4366 0.4366 0.4848 0.4848 0.7947 0.7947 1.7497 1.7497 2.2530 2.2530 2.8145 2.8145 2.8869 2.8869 2.9757 2.9757 3.0174 3.0174 3.1937 3.1937 3.5818 3.5818 3.6910 3.6910 4.3612 4.3612 4.7326 4.7326 5.0333 5.0333 8.0092 8.0092 8.0256 8.0256 9.6151 9.6151 k = 0.0495-0.0346-0.0884 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1558 -11.1558 -10.1986 -10.1986 -10.1976 -10.1976 -10.1209 -10.1209 -10.0252 -10.0252 -9.9900 -9.9900 -1.3214 -1.3214 -0.3687 -0.3687 -0.3214 -0.3214 -0.2566 -0.2566 0.0817 0.0817 0.2065 0.2065 0.4490 0.4490 0.5062 0.5062 0.8127 0.8127 1.7705 1.7705 2.2649 2.2649 2.7982 2.7982 2.8759 2.8759 2.9508 2.9508 3.0072 3.0072 3.2029 3.2029 3.5596 3.5596 3.6857 3.6857 4.3755 4.3755 4.7315 4.7315 5.0368 5.0368 8.0003 8.0003 8.0243 8.0243 9.6568 9.6568 k = 0.0594-0.0415-0.1061 ( 9923 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1499 -11.1499 -10.2005 -10.2005 -10.1990 -10.1990 -10.1204 -10.1204 -10.0276 -10.0276 -9.9931 -9.9931 -1.3171 -1.3171 -0.3699 -0.3699 -0.3179 -0.3179 -0.2559 -0.2559 0.0650 0.0650 0.1870 0.1870 0.4620 0.4620 0.5290 0.5290 0.8335 0.8335 1.7953 1.7953 2.2785 2.2785 2.7788 2.7788 2.8594 2.8594 2.9238 2.9238 2.9998 2.9998 3.2093 3.2093 3.5350 3.5350 3.6796 3.6796 4.3916 4.3916 4.7301 4.7301 5.0410 5.0410 7.9898 7.9898 8.0228 8.0228 9.7070 9.7070 k = 0.0694-0.0484-0.1238 ( 9923 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1431 -11.1431 -10.2027 -10.2027 -10.2006 -10.2006 -10.1200 -10.1200 -10.0304 -10.0304 -9.9965 -9.9965 -1.3121 -1.3121 -0.3722 -0.3722 -0.3135 -0.3135 -0.2548 -0.2548 0.0480 0.0480 0.1681 0.1681 0.4755 0.4755 0.5528 0.5528 0.8567 0.8567 1.8240 1.8240 2.2931 2.2931 2.7564 2.7564 2.8346 2.8346 2.9003 2.9003 2.9928 2.9928 3.2124 3.2124 3.5094 3.5094 3.6723 3.6723 4.4092 4.4092 4.7283 4.7283 5.0459 5.0459 7.9783 7.9783 8.0212 8.0212 9.7650 9.7650 k = 0.0793-0.0553-0.1415 ( 9917 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1353 -11.1353 -10.2052 -10.2052 -10.2023 -10.2023 -10.1199 -10.1199 -10.0337 -10.0337 -10.0001 -10.0001 -1.3063 -1.3063 -0.3756 -0.3756 -0.3087 -0.3087 -0.2530 -0.2530 0.0314 0.0314 0.1505 0.1505 0.4891 0.4891 0.5772 0.5772 0.8815 0.8815 1.8560 1.8560 2.3079 2.3079 2.7312 2.7312 2.8023 2.8023 2.8816 2.8816 2.9856 2.9856 3.2123 3.2123 3.4841 3.4841 3.6638 3.6638 4.4276 4.4276 4.7262 4.7262 5.0514 5.0514 7.9662 7.9662 8.0195 8.0195 9.8302 9.8302 k = 0.0892-0.0622-0.1592 ( 9921 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1265 -11.1265 -10.2080 -10.2080 -10.2041 -10.2041 -10.1203 -10.1203 -10.0375 -10.0375 -10.0037 -10.0037 -1.2998 -1.2998 -0.3799 -0.3799 -0.3040 -0.3040 -0.2504 -0.2504 0.0154 0.0154 0.1350 0.1350 0.5030 0.5030 0.6020 0.6020 0.9073 0.9073 1.8911 1.8911 2.3219 2.3219 2.7026 2.7026 2.7666 2.7666 2.8652 2.8652 2.9779 2.9779 3.2089 3.2089 3.4603 3.4603 3.6539 3.6539 4.4465 4.4465 4.7238 4.7238 5.0575 5.0575 7.9537 7.9537 8.0176 8.0176 9.9018 9.9018 k = 0.0991-0.0691-0.1769 ( 9909 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.1168 -11.1168 -10.2112 -10.2112 -10.2058 -10.2058 -10.1213 -10.1213 -10.0415 -10.0415 -10.0071 -10.0071 -1.2925 -1.2925 -0.3849 -0.3849 -0.3002 -0.3002 -0.2465 -0.2465 0.0001 0.0001 0.1223 0.1223 0.5172 0.5172 0.6268 0.6268 0.9334 0.9334 1.9289 1.9289 2.3334 2.3334 2.6701 2.6701 2.7319 2.7319 2.8494 2.8494 2.9697 2.9697 3.2026 3.2026 3.4388 3.4388 3.6425 3.6425 4.4656 4.4656 4.7212 4.7212 5.0640 5.0640 7.9412 7.9412 8.0156 8.0156 9.9790 9.9790 k = 0.1090-0.0760-0.1946 ( 9907 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.1062 -11.1062 -10.2147 -10.2147 -10.2077 -10.2077 -10.1230 -10.1230 -10.0457 -10.0457 -10.0104 -10.0104 -1.2845 -1.2845 -0.3905 -0.3905 -0.2981 -0.2981 -0.2411 -0.2411 -0.0144 -0.0144 0.1131 0.1131 0.5316 0.5316 0.6513 0.6513 0.9591 0.9591 1.9688 1.9688 2.3406 2.3406 2.6342 2.6342 2.7009 2.7009 2.8332 2.8332 2.9609 2.9609 3.1942 3.1942 3.4198 3.4198 3.6295 3.6295 4.4845 4.4845 4.7185 4.7185 5.0711 5.0711 7.9290 7.9290 8.0135 8.0135 10.0605 10.0605 k = 0.1189-0.0829-0.2123 ( 9919 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0949 -11.0949 -10.2187 -10.2187 -10.2094 -10.2094 -10.1257 -10.1257 -10.0500 -10.0500 -10.0134 -10.0134 -1.2758 -1.2758 -0.3966 -0.3966 -0.2982 -0.2982 -0.2340 -0.2340 -0.0280 -0.0280 0.1080 0.1080 0.5463 0.5463 0.6754 0.6754 0.9839 0.9839 2.0103 2.0103 2.3410 2.3410 2.5972 2.5972 2.6746 2.6746 2.8167 2.8167 2.9514 2.9514 3.1848 3.1848 3.4030 3.4030 3.6150 3.6150 4.5028 4.5028 4.7160 4.7160 5.0785 5.0785 7.9174 7.9174 8.0113 8.0113 10.1450 10.1450 k = 0.1288-0.0898-0.2300 ( 9913 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0827 -11.0827 -10.2230 -10.2230 -10.2112 -10.2112 -10.1293 -10.1293 -10.0543 -10.0543 -10.0161 -10.0161 -1.2664 -1.2664 -0.4030 -0.4030 -0.3006 -0.3006 -0.2253 -0.2253 -0.0404 -0.0404 0.1073 0.1073 0.5614 0.5614 0.6985 0.6985 1.0073 1.0073 2.0527 2.0527 2.3323 2.3323 2.5619 2.5619 2.6530 2.6530 2.7999 2.7999 2.9412 2.9412 3.1757 3.1757 3.3880 3.3880 3.5991 3.5991 4.5201 4.5201 4.7140 4.7140 5.0862 5.0862 7.9066 7.9066 8.0091 8.0091 10.2309 10.2309 k = 0.1387-0.0968-0.2476 ( 9911 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0698 -11.0698 -10.2278 -10.2278 -10.2129 -10.2129 -10.1339 -10.1339 -10.0585 -10.0585 -10.0184 -10.0184 -1.2562 -1.2562 -0.4096 -0.4096 -0.3050 -0.3050 -0.2156 -0.2156 -0.0513 -0.0513 0.1108 0.1108 0.5768 0.5768 0.7202 0.7202 1.0288 1.0288 2.0948 2.0948 2.3141 2.3141 2.5299 2.5299 2.6363 2.6363 2.7830 2.7830 2.9305 2.9305 3.1679 3.1679 3.3742 3.3742 3.5820 3.5820 4.5360 4.5360 4.7129 4.7129 5.0941 5.0941 7.8967 7.8967 8.0067 8.0067 10.3158 10.3158 k = 0.1486-0.1037-0.2653 ( 9905 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0562 -11.0562 -10.2330 -10.2330 -10.2145 -10.2145 -10.1394 -10.1394 -10.0625 -10.0625 -10.0204 -10.0204 -1.2454 -1.2454 -0.4164 -0.4164 -0.3112 -0.3112 -0.2051 -0.2051 -0.0600 -0.0600 0.1183 0.1183 0.5925 0.5925 0.7398 0.7398 1.0481 1.0481 2.1340 2.1340 2.2895 2.2895 2.5009 2.5009 2.6239 2.6239 2.7664 2.7664 2.9198 2.9198 3.1622 3.1622 3.3610 3.3610 3.5639 3.5639 4.5501 4.5501 4.7133 4.7133 5.1021 5.1021 7.8878 7.8878 8.0043 8.0043 10.3965 10.3965 k = 0.1585-0.1106-0.2830 ( 9905 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -11.0420 -11.0420 -10.2387 -10.2387 -10.2161 -10.2161 -10.1455 -10.1455 -10.0664 -10.0664 -10.0220 -10.0220 -1.2339 -1.2339 -0.4233 -0.4233 -0.3190 -0.3190 -0.1944 -0.1944 -0.0659 -0.0659 0.1293 0.1293 0.6084 0.6084 0.7568 0.7568 1.0652 1.0652 2.1622 2.1622 2.2690 2.2690 2.4737 2.4737 2.6144 2.6144 2.7502 2.7502 2.9096 2.9096 3.1588 3.1588 3.3480 3.3480 3.5451 3.5451 4.5618 4.5618 4.7155 4.7155 5.1101 5.1101 7.8801 7.8801 8.0019 8.0019 10.4685 10.4685 k = 0.1684-0.1175-0.3007 ( 9889 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.0273 -11.0273 -10.2449 -10.2449 -10.2177 -10.2177 -10.1522 -10.1522 -10.0703 -10.0703 -10.0233 -10.0233 -1.2218 -1.2218 -0.4302 -0.4302 -0.3279 -0.3279 -0.1840 -0.1840 -0.0681 -0.0681 0.1432 0.1432 0.6244 0.6244 0.7702 0.7702 1.0801 1.0801 2.1614 2.1614 2.2729 2.2729 2.4479 2.4479 2.6061 2.6061 2.7343 2.7343 2.9010 2.9010 3.1577 3.1577 3.3352 3.3352 3.5258 3.5258 4.5707 4.5707 4.7201 4.7201 5.1180 5.1180 7.8735 7.8735 7.9995 7.9995 10.5264 10.5264 k = 0.1783-0.1244-0.3184 ( 9887 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -11.0122 -11.0122 -10.2516 -10.2516 -10.2192 -10.2192 -10.1592 -10.1592 -10.0742 -10.0742 -10.0242 -10.0242 -1.2090 -1.2090 -0.4373 -0.4373 -0.3376 -0.3376 -0.1743 -0.1743 -0.0661 -0.0661 0.1594 0.1594 0.6402 0.6402 0.7795 0.7795 1.0930 1.0930 2.1350 2.1350 2.2987 2.2987 2.4245 2.4245 2.5974 2.5974 2.7185 2.7185 2.8948 2.8948 3.1581 3.1581 3.3227 3.3227 3.5065 3.5065 4.5768 4.5768 4.7272 4.7272 5.1258 5.1258 7.8680 7.8680 7.9970 7.9970 10.5660 10.5660 k = 0.1883-0.1313-0.3361 ( 9895 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9967 -10.9967 -10.2587 -10.2587 -10.2207 -10.2207 -10.1663 -10.1663 -10.0781 -10.0781 -10.0249 -10.0249 -1.1957 -1.1957 -0.4446 -0.4446 -0.3478 -0.3478 -0.1653 -0.1653 -0.0597 -0.0597 0.1774 0.1774 0.6550 0.6550 0.7843 0.7843 1.1045 1.1045 2.1015 2.1015 2.3238 2.3238 2.4086 2.4086 2.5878 2.5878 2.7024 2.7024 2.8917 2.8917 3.1590 3.1590 3.3108 3.3108 3.4875 3.4875 4.5804 4.5804 4.7367 4.7367 5.1332 5.1332 7.8635 7.8635 7.9947 7.9947 10.5864 10.5864 k = 0.1982-0.1382-0.3538 ( 9892 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9810 -10.9810 -10.2664 -10.2664 -10.2222 -10.2222 -10.1732 -10.1732 -10.0821 -10.0821 -10.0255 -10.0255 -1.1818 -1.1818 -0.4521 -0.4521 -0.3579 -0.3579 -0.1567 -0.1567 -0.0490 -0.0490 0.1966 0.1966 0.6677 0.6677 0.7850 0.7850 1.1149 1.1149 2.0684 2.0684 2.3291 2.3291 2.4119 2.4119 2.5777 2.5777 2.6859 2.6859 2.8920 2.8920 3.1593 3.1593 3.3002 3.3002 3.4693 3.4693 4.5819 4.5819 4.7480 4.7480 5.1403 5.1403 7.8598 7.8598 7.9924 7.9924 10.5914 10.5914 k = 0.2081-0.1451-0.3715 ( 9892 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9651 -10.9651 -10.2743 -10.2743 -10.2237 -10.2237 -10.1798 -10.1798 -10.0861 -10.0861 -10.0259 -10.0259 -1.1675 -1.1675 -0.4600 -0.4600 -0.3677 -0.3677 -0.1481 -0.1481 -0.0348 -0.0348 0.2165 0.2165 0.6759 0.6759 0.7836 0.7836 1.1244 1.1244 2.0384 2.0384 2.3146 2.3146 2.4304 2.4304 2.5688 2.5688 2.6693 2.6693 2.8956 2.8956 3.1574 3.1574 3.2913 3.2913 3.4526 3.4526 4.5821 4.5821 4.7607 4.7607 5.1469 5.1469 7.8568 7.8568 7.9902 7.9902 10.5862 10.5862 k = 0.2180-0.1520-0.3892 ( 9896 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9492 -10.9492 -10.2826 -10.2826 -10.2254 -10.2254 -10.1860 -10.1860 -10.0901 -10.0901 -10.0262 -10.0262 -1.1528 -1.1528 -0.4684 -0.4684 -0.3765 -0.3765 -0.1387 -0.1387 -0.0177 -0.0177 0.2364 0.2364 0.6760 0.6760 0.7841 0.7841 1.1330 1.1330 2.0124 2.0124 2.2936 2.2936 2.4458 2.4458 2.5640 2.5640 2.6542 2.6542 2.9020 2.9020 3.1525 3.1525 3.2842 3.2842 3.4380 3.4380 4.5814 4.5814 4.7742 4.7742 5.1530 5.1530 7.8544 7.8544 7.9883 7.9883 10.5753 10.5753 k = 0.2279-0.1590-0.4068 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.9333 -10.9333 -10.2910 -10.2910 -10.2272 -10.2272 -10.1917 -10.1917 -10.0941 -10.0941 -10.0265 -10.0265 -1.1377 -1.1377 -0.4774 -0.4774 -0.3841 -0.3841 -0.1281 -0.1281 0.0016 0.0016 0.2558 0.2558 0.6652 0.6652 0.7900 0.7900 1.1405 1.1405 1.9909 1.9909 2.2717 2.2717 2.4489 2.4489 2.5627 2.5627 2.6449 2.6449 2.9106 2.9106 3.1443 3.1443 3.2782 3.2782 3.4264 3.4264 4.5805 4.5805 4.7880 4.7880 5.1586 5.1586 7.8521 7.8521 7.9867 7.9867 10.5619 10.5619 k = 0.2378-0.1659-0.4245 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.9177 -10.9177 -10.2994 -10.2994 -10.2293 -10.2293 -10.1967 -10.1967 -10.0981 -10.0981 -10.0269 -10.0269 -1.1224 -1.1224 -0.4871 -0.4871 -0.3901 -0.3901 -0.1159 -0.1159 0.0223 0.0223 0.2739 0.2739 0.6448 0.6448 0.8015 0.8015 1.1464 1.1464 1.9740 1.9740 2.2508 2.2508 2.4399 2.4399 2.5571 2.5571 2.6477 2.6477 2.9210 2.9210 3.1334 3.1334 3.2719 3.2719 3.4187 3.4187 4.5797 4.5797 4.8016 4.8016 5.1637 5.1637 7.8499 7.8499 7.9855 7.9855 10.5479 10.5479 k = 0.2477-0.1728-0.4422 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.9024 -10.9024 -10.3076 -10.3076 -10.2316 -10.2316 -10.2011 -10.2011 -10.1020 -10.1020 -10.0274 -10.0274 -1.1070 -1.1070 -0.4974 -0.4974 -0.3944 -0.3944 -0.1021 -0.1021 0.0439 0.0439 0.2898 0.2898 0.6187 0.6187 0.8167 0.8167 1.1502 1.1502 1.9612 1.9612 2.2316 2.2316 2.4234 2.4234 2.5423 2.5423 2.6623 2.6623 2.9324 2.9324 3.1207 3.1207 3.2644 3.2644 3.4150 3.4150 4.5793 4.5793 4.8148 4.8148 5.1683 5.1683 7.8474 7.8474 7.9847 7.9847 10.5346 10.5346 k = 0.2576-0.1797-0.4599 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8876 -10.8876 -10.3153 -10.3153 -10.2342 -10.2342 -10.2049 -10.2049 -10.1058 -10.1058 -10.0281 -10.0281 -1.0917 -1.0917 -0.5082 -0.5082 -0.3970 -0.3970 -0.0864 -0.0864 0.0657 0.0657 0.3020 0.3020 0.5912 0.5912 0.8339 0.8339 1.1515 1.1515 1.9518 1.9518 2.2147 2.2147 2.4031 2.4031 2.5214 2.5214 2.6820 2.6820 2.9442 2.9442 3.1071 3.1071 3.2552 3.2552 3.4149 3.4149 4.5795 4.5795 4.8273 4.8273 5.1726 5.1726 7.8444 7.8444 7.9844 7.9844 10.5230 10.5230 k = 0.2675-0.1866-0.4776 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8735 -10.8735 -10.3225 -10.3225 -10.2370 -10.2370 -10.2081 -10.2081 -10.1094 -10.1094 -10.0289 -10.0289 -1.0765 -1.0765 -0.5191 -0.5191 -0.3979 -0.3979 -0.0690 -0.0690 0.0869 0.0869 0.3091 0.3091 0.5663 0.5663 0.8521 0.8521 1.1498 1.1498 1.9450 1.9450 2.2003 2.2003 2.3813 2.3813 2.4974 2.4974 2.7020 2.7020 2.9558 2.9558 3.0934 3.0934 3.2448 3.2448 3.4177 3.4177 4.5803 4.5803 4.8386 4.8386 5.1766 5.1766 7.8407 7.8407 7.9845 7.9845 10.5136 10.5136 k = 0.2774-0.1935-0.4953 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8602 -10.8602 -10.3290 -10.3290 -10.2401 -10.2401 -10.2108 -10.2108 -10.1128 -10.1128 -10.0299 -10.0299 -1.0616 -1.0616 -0.5300 -0.5300 -0.3975 -0.3975 -0.0499 -0.0499 0.1060 0.1060 0.3102 0.3102 0.5480 0.5480 0.8706 0.8706 1.1450 1.1450 1.9396 1.9396 2.1883 2.1883 2.3598 2.3598 2.4719 2.4719 2.7199 2.7199 2.9666 2.9666 3.0801 3.0801 3.2342 3.2342 3.4220 3.4220 4.5819 4.5819 4.8486 4.8486 5.1806 5.1806 7.8363 7.8363 7.9850 7.9850 10.5068 10.5068 k = 0.2873-0.2004-0.5130 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8479 -10.8479 -10.3345 -10.3345 -10.2433 -10.2433 -10.2131 -10.2131 -10.1159 -10.1159 -10.0312 -10.0312 -1.0474 -1.0474 -0.5406 -0.5406 -0.3958 -0.3958 -0.0293 -0.0293 0.1207 0.1207 0.3063 0.3063 0.5386 0.5386 0.8891 0.8891 1.1372 1.1372 1.9346 1.9346 2.1779 2.1779 2.3403 2.3403 2.4461 2.4461 2.7343 2.7343 2.9759 2.9759 3.0678 3.0678 3.2243 3.2243 3.4271 3.4271 4.5841 4.5841 4.8569 4.8569 5.1848 5.1848 7.8309 7.8309 7.9858 7.9858 10.5030 10.5030 k = 0.2972-0.2073-0.5307 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8366 -10.8366 -10.3389 -10.3389 -10.2465 -10.2465 -10.2150 -10.2150 -10.1187 -10.1187 -10.0327 -10.0327 -1.0339 -1.0339 -0.5509 -0.5509 -0.3933 -0.3933 -0.0075 -0.0075 0.1279 0.1279 0.3023 0.3023 0.5377 0.5377 0.9073 0.9073 1.1263 1.1263 1.9287 1.9287 2.1673 2.1673 2.3250 2.3250 2.4211 2.4211 2.7446 2.7446 2.9829 2.9829 3.0574 3.0574 3.2156 3.2156 3.4322 3.4322 4.5868 4.5868 4.8633 4.8633 5.1895 5.1895 7.8248 7.8248 7.9866 7.9866 10.5023 10.5023 k = 0.3071-0.2142-0.5484 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8266 -10.8266 -10.3421 -10.3421 -10.2497 -10.2497 -10.2168 -10.2168 -10.1213 -10.1213 -10.0345 -10.0345 -1.0213 -1.0213 -0.5605 -0.5605 -0.3902 -0.3902 0.0146 0.0146 0.1251 0.1251 0.3041 0.3041 0.5435 0.5435 0.9247 0.9247 1.1126 1.1126 1.9212 1.9212 2.1546 2.1546 2.3149 2.3149 2.3985 2.3985 2.7504 2.7504 2.9862 2.9862 3.0501 3.0501 3.2087 3.2087 3.4367 3.4367 4.5898 4.5898 4.8677 4.8677 5.1947 5.1947 7.8178 7.8178 7.9875 7.9875 10.5049 10.5049 k = 0.3171-0.2212-0.5661 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8178 -10.8178 -10.3441 -10.3441 -10.2528 -10.2528 -10.2184 -10.2184 -10.1235 -10.1235 -10.0366 -10.0366 -1.0100 -1.0100 -0.5694 -0.5694 -0.3871 -0.3871 0.0349 0.0349 0.1153 0.1153 0.3144 0.3144 0.5535 0.5535 0.9411 0.9411 1.0966 1.0966 1.9115 1.9115 2.1384 2.1384 2.3085 2.3085 2.3818 2.3818 2.7518 2.7518 2.9847 2.9847 3.0471 3.0471 3.2034 3.2034 3.4405 3.4405 4.5929 4.5929 4.8699 4.8699 5.2008 5.2008 7.8101 7.8101 7.9880 7.9880 10.5110 10.5110 k = 0.3270-0.2281-0.5837 ( 9888 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8104 -10.8104 -10.3449 -10.3449 -10.2557 -10.2557 -10.2199 -10.2199 -10.1254 -10.1254 -10.0390 -10.0390 -1.0001 -1.0001 -0.5775 -0.5775 -0.3844 -0.3844 0.0459 0.0459 0.1100 0.1100 0.3316 0.3316 0.5660 0.5660 0.9560 0.9560 1.0788 1.0788 1.8992 1.8992 2.1188 2.1188 2.2998 2.2998 2.3770 2.3770 2.7492 2.7492 2.9784 2.9784 3.0487 3.0487 3.1995 3.1995 3.4433 3.4433 4.5955 4.5955 4.8701 4.8701 5.2079 5.2079 7.8018 7.8018 7.9882 7.9882 10.5205 10.5205 k = 0.3369-0.2350-0.6014 ( 9890 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8044 -10.8044 -10.3444 -10.3444 -10.2584 -10.2584 -10.2212 -10.2212 -10.1269 -10.1269 -10.0417 -10.0417 -0.9918 -0.9918 -0.5848 -0.5848 -0.3827 -0.3827 0.0391 0.0391 0.1222 0.1222 0.3530 0.3530 0.5798 0.5798 0.9684 0.9684 1.0604 1.0604 1.8839 1.8839 2.0973 2.0973 2.2854 2.2854 2.3863 2.3863 2.7434 2.7434 2.9687 2.9687 3.0536 3.0536 3.1964 3.1964 3.4451 3.4451 4.5974 4.5974 4.8684 4.8684 5.2160 5.2160 7.7930 7.7930 7.9879 7.9879 10.5333 10.5333 k = 0.3468-0.2419-0.6191 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.7997 -10.7997 -10.3427 -10.3427 -10.2609 -10.2609 -10.2223 -10.2223 -10.1281 -10.1281 -10.0447 -10.0447 -0.9852 -0.9852 -0.5913 -0.5913 -0.3828 -0.3828 0.0238 0.0238 0.1462 0.1462 0.3768 0.3768 0.5942 0.5942 0.9760 0.9760 1.0437 1.0437 1.8654 1.8654 2.0750 2.0750 2.2678 2.2678 2.4054 2.4054 2.7352 2.7352 2.9570 2.9570 3.0606 3.0606 3.1935 3.1935 3.4459 3.4459 4.5981 4.5981 4.8652 4.8652 5.2250 5.2250 7.7838 7.7838 7.9871 7.9871 10.5495 10.5495 k = 0.3567-0.2488-0.6368 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.7962 -10.7962 -10.3402 -10.3402 -10.2631 -10.2631 -10.2232 -10.2232 -10.1291 -10.1291 -10.0480 -10.0480 -0.9806 -0.9806 -0.5969 -0.5969 -0.3852 -0.3852 0.0096 0.0096 0.1744 0.1744 0.4019 0.4019 0.6087 0.6087 0.9740 0.9740 1.0340 1.0340 1.8439 1.8439 2.0529 2.0529 2.2501 2.2501 2.4299 2.4299 2.7258 2.7258 2.9442 2.9442 3.0688 3.0688 3.1906 3.1906 3.4458 3.4458 4.5970 4.5970 4.8611 4.8611 5.2348 5.2348 7.7744 7.7744 7.9856 7.9856 10.5686 10.5686 k = 0.3666-0.2557-0.6545 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.7939 -10.7939 -10.3369 -10.3369 -10.2649 -10.2649 -10.2236 -10.2236 -10.1298 -10.1298 -10.0516 -10.0516 -0.9779 -0.9779 -0.6018 -0.6018 -0.3902 -0.3902 0.0000 0.0000 0.2045 0.2045 0.4275 0.4275 0.6228 0.6228 0.9594 0.9594 1.0341 1.0341 1.8194 1.8194 2.0315 2.0315 2.2339 2.2339 2.4566 2.4566 2.7165 2.7165 2.9308 2.9308 3.0775 3.0775 3.1873 3.1873 3.4450 3.4450 4.5937 4.5937 4.8565 4.8565 5.2453 5.2453 7.7649 7.7649 7.9836 7.9836 10.5904 10.5904 k = 0.6334 0.0051-0.4764 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.7939 -10.7939 -10.3369 -10.3369 -10.2649 -10.2649 -10.2236 -10.2236 -10.1298 -10.1298 -10.0516 -10.0516 -0.9779 -0.9779 -0.6018 -0.6018 -0.3902 -0.3902 0.0000 0.0000 0.2045 0.2045 0.4275 0.4275 0.6228 0.6228 0.9594 0.9594 1.0341 1.0341 1.8194 1.8194 2.0315 2.0315 2.2339 2.2339 2.4566 2.4566 2.7165 2.7165 2.9308 2.9308 3.0775 3.0775 3.1873 3.1873 3.4450 3.4450 4.5937 4.5937 4.8565 4.8565 5.2453 5.2453 7.7649 7.7649 7.9836 7.9836 10.5904 10.5904 k = 0.6239 0.0234-0.4764 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7926 -10.7926 -10.3333 -10.3333 -10.2664 -10.2664 -10.2236 -10.2236 -10.1302 -10.1302 -10.0554 -10.0554 -0.9770 -0.9770 -0.6060 -0.6060 -0.3973 -0.3973 -0.0036 -0.0036 0.2344 0.2344 0.4523 0.4523 0.6358 0.6358 0.9383 0.9383 1.0393 1.0393 1.7936 1.7936 2.0117 2.0117 2.2205 2.2205 2.4822 2.4822 2.7090 2.7090 2.9177 2.9177 3.0862 3.0862 3.1837 3.1837 3.4435 3.4435 4.5882 4.5882 4.8521 4.8521 5.2559 5.2559 7.7557 7.7557 7.9811 7.9811 10.6135 10.6135 k = 0.6143 0.0417-0.4764 ( 9864 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7920 -10.7920 -10.3295 -10.3295 -10.2676 -10.2676 -10.2229 -10.2229 -10.1305 -10.1305 -10.0594 -10.0594 -0.9779 -0.9779 -0.6098 -0.6098 -0.4062 -0.4062 -0.0016 -0.0016 0.2647 0.2647 0.4768 0.4768 0.6480 0.6480 0.9140 0.9140 1.0456 1.0456 1.7661 1.7661 1.9924 1.9924 2.2095 2.2095 2.5055 2.5055 2.7047 2.7047 2.9046 2.9046 3.0945 3.0945 3.1799 3.1799 3.4414 3.4414 4.5802 4.5802 4.8482 4.8482 5.2666 5.2666 7.7466 7.7466 7.9783 7.9783 10.6381 10.6381 k = 0.6048 0.0599-0.4764 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7922 -10.7922 -10.3259 -10.3259 -10.2686 -10.2686 -10.2215 -10.2215 -10.1307 -10.1307 -10.0637 -10.0637 -0.9802 -0.9802 -0.6134 -0.6134 -0.4160 -0.4160 0.0055 0.0055 0.2950 0.2950 0.5010 0.5010 0.6592 0.6592 0.8882 0.8882 1.0516 1.0516 1.7375 1.7375 1.9738 1.9738 2.2010 2.2010 2.5244 2.5244 2.7049 2.7049 2.8918 2.8918 3.1020 3.1020 3.1766 3.1766 3.4389 3.4389 4.5697 4.5697 4.8451 4.8451 5.2773 5.2773 7.7377 7.7377 7.9752 7.9752 10.6636 10.6636 k = 0.5953 0.0782-0.4764 ( 9858 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7928 -10.7928 -10.3226 -10.3226 -10.2693 -10.2693 -10.2191 -10.2191 -10.1309 -10.1309 -10.0683 -10.0683 -0.9839 -0.9839 -0.6169 -0.6169 -0.4261 -0.4261 0.0168 0.0168 0.3250 0.3250 0.5246 0.5246 0.6693 0.6693 0.8618 0.8618 1.0568 1.0568 1.7085 1.7085 1.9559 1.9559 2.1949 2.1949 2.5374 2.5374 2.7109 2.7109 2.8795 2.8795 3.1077 3.1077 3.1746 3.1746 3.4361 3.4361 4.5570 4.5570 4.8428 4.8428 5.2878 5.2878 7.7291 7.7291 7.9719 7.9719 10.6893 10.6893 k = 0.5858 0.0965-0.4764 ( 9856 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7938 -10.7938 -10.3197 -10.3197 -10.2699 -10.2699 -10.2158 -10.2158 -10.1311 -10.1311 -10.0730 -10.0730 -0.9885 -0.9885 -0.6203 -0.6203 -0.4357 -0.4357 0.0314 0.0314 0.3543 0.3543 0.5474 0.5474 0.6779 0.6779 0.8355 0.8355 1.0609 1.0609 1.6797 1.6797 1.9388 1.9388 2.1908 2.1908 2.5443 2.5443 2.7221 2.7221 2.8683 2.8683 3.1104 3.1104 3.1751 3.1751 3.4331 3.4331 4.5424 4.5424 4.8413 4.8413 5.2978 5.2978 7.7210 7.7210 7.9685 7.9685 10.7146 10.7146 k = 0.5762 0.1147-0.4764 ( 9864 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7950 -10.7950 -10.3174 -10.3174 -10.2704 -10.2704 -10.2115 -10.2115 -10.1314 -10.1314 -10.0778 -10.0778 -0.9939 -0.9939 -0.6238 -0.6238 -0.4444 -0.4444 0.0484 0.0484 0.3826 0.3826 0.5689 0.5689 0.6851 0.6851 0.8099 0.8099 1.0640 1.0640 1.6517 1.6517 1.9228 1.9228 2.1885 2.1885 2.5464 2.5464 2.7365 2.7365 2.8587 2.8587 3.1097 3.1097 3.1788 3.1788 3.4299 3.4299 4.5267 4.5267 4.8405 4.8405 5.3073 5.3073 7.7133 7.7133 7.9652 7.9652 10.7387 10.7387 k = 0.5667 0.1330-0.4764 ( 9860 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.7964 -10.7964 -10.3156 -10.3156 -10.2708 -10.2708 -10.2062 -10.2062 -10.1319 -10.1319 -10.0827 -10.0827 -0.9996 -0.9996 -0.6272 -0.6272 -0.4518 -0.4518 0.0669 0.0669 0.4095 0.4095 0.5884 0.5884 0.6907 0.6907 0.7858 0.7858 1.0659 1.0659 1.6250 1.6250 1.9080 1.9080 2.1875 2.1875 2.5455 2.5455 2.7511 2.7511 2.8519 2.8519 3.1061 3.1061 3.1853 3.1853 3.4267 3.4267 4.5104 4.5104 4.8403 4.8403 5.3161 5.3161 7.7062 7.7062 7.9621 7.9621 10.7609 10.7609 k = 0.5572 0.1513-0.4764 ( 9866 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7977 -10.7977 -10.3142 -10.3142 -10.2713 -10.2713 -10.2002 -10.2002 -10.1328 -10.1328 -10.0874 -10.0874 -1.0054 -1.0054 -0.6306 -0.6306 -0.4578 -0.4578 0.0859 0.0859 0.4349 0.4349 0.6049 0.6049 0.6946 0.6946 0.7646 0.7646 1.0668 1.0668 1.6001 1.6001 1.8949 1.8949 2.1874 2.1874 2.5431 2.5431 2.7628 2.7628 2.8489 2.8489 3.1006 3.1006 3.1934 3.1934 3.4235 3.4235 4.4943 4.4943 4.8404 4.8404 5.3240 5.3240 7.6999 7.6999 7.9593 7.9593 10.7808 10.7808 k = 0.5476 0.1695-0.4764 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.7990 -10.7990 -10.3133 -10.3133 -10.2717 -10.2717 -10.1936 -10.1936 -10.1342 -10.1342 -10.0918 -10.0918 -1.0109 -1.0109 -0.6338 -0.6338 -0.4626 -0.4626 0.1044 0.1044 0.4583 0.4583 0.6170 0.6170 0.6962 0.6962 0.7484 0.7484 1.0668 1.0668 1.5778 1.5778 1.8835 1.8835 2.1879 2.1879 2.5402 2.5402 2.7696 2.7696 2.8508 2.8508 3.0943 3.0943 3.2021 3.2021 3.4205 3.4205 4.4792 4.4792 4.8408 4.8408 5.3308 5.3308 7.6943 7.6943 7.9567 7.9567 10.7979 10.7979 k = 0.5381 0.1878-0.4764 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8002 -10.8002 -10.3126 -10.3126 -10.2721 -10.2721 -10.1867 -10.1867 -10.1362 -10.1362 -10.0958 -10.0958 -1.0158 -1.0158 -0.6366 -0.6366 -0.4662 -0.4662 0.1216 0.1216 0.4797 0.4797 0.6227 0.6227 0.6947 0.6947 0.7399 0.7399 1.0661 1.0661 1.5584 1.5584 1.8740 1.8740 2.1888 2.1888 2.5374 2.5374 2.7717 2.7717 2.8567 2.8567 3.0881 3.0881 3.2105 3.2105 3.4178 3.4178 4.4656 4.4656 4.8413 4.8413 5.3366 5.3366 7.6896 7.6896 7.9546 7.9546 10.8120 10.8120 k = 0.5286 0.2061-0.4764 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8011 -10.8011 -10.3122 -10.3122 -10.2725 -10.2725 -10.1798 -10.1798 -10.1390 -10.1390 -10.0990 -10.0990 -1.0200 -1.0200 -0.6389 -0.6389 -0.4687 -0.4687 0.1364 0.1364 0.4985 0.4985 0.6217 0.6217 0.6914 0.6914 0.7389 0.7389 1.0649 1.0649 1.5427 1.5427 1.8665 1.8665 2.1897 2.1897 2.5351 2.5351 2.7710 2.7710 2.8641 2.8641 3.0825 3.0825 3.2179 3.2179 3.4155 3.4155 4.4543 4.4543 4.8418 4.8418 5.3412 5.3412 7.6859 7.6859 7.9529 7.9529 10.8230 10.8230 k = 0.5191 0.2243-0.4764 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8019 -10.8019 -10.3119 -10.3119 -10.2727 -10.2727 -10.1733 -10.1733 -10.1424 -10.1424 -10.1014 -10.1014 -1.0230 -1.0230 -0.6407 -0.6407 -0.4704 -0.4704 0.1479 0.1479 0.5141 0.5141 0.6158 0.6158 0.6885 0.6885 0.7415 0.7415 1.0637 1.0637 1.5311 1.5311 1.8612 1.8612 2.1905 2.1905 2.5334 2.5334 2.7693 2.7693 2.8708 2.8708 3.0781 3.0781 3.2237 3.2237 3.4138 3.4138 4.4457 4.4457 4.8422 4.8422 5.3445 5.3445 7.6832 7.6832 7.9517 7.9517 10.8309 10.8309 k = 0.5095 0.2426-0.4764 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8023 -10.8023 -10.3117 -10.3117 -10.2729 -10.2729 -10.1680 -10.1680 -10.1459 -10.1459 -10.1028 -10.1028 -1.0250 -1.0250 -0.6417 -0.6417 -0.4714 -0.4714 0.1552 0.1552 0.5251 0.5251 0.6092 0.6092 0.6868 0.6868 0.7444 0.7444 1.0628 1.0628 1.5240 1.5240 1.8579 1.8579 2.1910 2.1910 2.5323 2.5323 2.7679 2.7679 2.8752 2.8752 3.0753 3.0753 3.2273 3.2273 3.4127 3.4127 4.4404 4.4404 4.8424 4.8424 5.3465 5.3465 7.6815 7.6815 7.9509 7.9509 10.8355 10.8355 k = 0.5000 0.2609-0.4764 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8025 -10.8025 -10.3117 -10.3117 -10.2730 -10.2730 -10.1656 -10.1656 -10.1476 -10.1476 -10.1032 -10.1032 -1.0256 -1.0256 -0.6421 -0.6421 -0.4717 -0.4717 0.1577 0.1577 0.5293 0.5293 0.6063 0.6063 0.6863 0.6863 0.7456 0.7456 1.0624 1.0624 1.5215 1.5215 1.8568 1.8568 2.1912 2.1912 2.5320 2.5320 2.7674 2.7674 2.8768 2.8768 3.0744 3.0744 3.2286 3.2286 3.4123 3.4123 4.4386 4.4386 4.8425 4.8425 5.3471 5.3471 7.6810 7.6810 7.9507 7.9507 10.8371 10.8371 k = 0.5000 0.2609-0.4764 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8025 -10.8025 -10.3117 -10.3117 -10.2730 -10.2730 -10.1656 -10.1656 -10.1476 -10.1476 -10.1032 -10.1032 -1.0256 -1.0256 -0.6421 -0.6421 -0.4717 -0.4717 0.1577 0.1577 0.5293 0.5293 0.6063 0.6063 0.6863 0.6863 0.7456 0.7456 1.0624 1.0624 1.5215 1.5215 1.8568 1.8568 2.1912 2.1912 2.5320 2.5320 2.7674 2.7674 2.8768 2.8768 3.0744 3.0744 3.2286 3.2286 3.4123 3.4123 4.4386 4.4386 4.8425 4.8425 5.3471 5.3471 7.6810 7.6810 7.9507 7.9507 10.8371 10.8371 k = 0.5121 0.2672-0.4602 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8024 -10.8024 -10.3118 -10.3118 -10.2736 -10.2736 -10.1663 -10.1663 -10.1468 -10.1468 -10.1027 -10.1027 -1.0252 -1.0252 -0.6413 -0.6413 -0.4713 -0.4713 0.1550 0.1550 0.5246 0.5246 0.6085 0.6085 0.6857 0.6857 0.7480 0.7480 1.0628 1.0628 1.5239 1.5239 1.8581 1.8581 2.1914 2.1914 2.5308 2.5308 2.7665 2.7665 2.8777 2.8777 3.0748 3.0748 3.2245 3.2245 3.4122 3.4122 4.4402 4.4402 4.8440 4.8440 5.3467 5.3467 7.6813 7.6813 7.9496 7.9496 10.8344 10.8344 k = 0.5243 0.2735-0.4440 ( 9864 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8021 -10.8021 -10.3120 -10.3120 -10.2754 -10.2754 -10.1681 -10.1681 -10.1448 -10.1448 -10.1012 -10.1012 -1.0238 -1.0238 -0.6388 -0.6388 -0.4701 -0.4701 0.1471 0.1471 0.5129 0.5129 0.6105 0.6105 0.6873 0.6873 0.7542 0.7542 1.0640 1.0640 1.5308 1.5308 1.8617 1.8617 2.1919 2.1919 2.5272 2.5272 2.7639 2.7639 2.8802 2.8802 3.0761 3.0761 3.2130 3.2130 3.4118 3.4118 4.4446 4.4446 4.8485 4.8485 5.3454 5.3454 7.6824 7.6824 7.9466 7.9466 10.8263 10.8263 k = 0.5364 0.2798-0.4278 ( 9868 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8018 -10.8018 -10.3125 -10.3125 -10.2780 -10.2780 -10.1705 -10.1705 -10.1419 -10.1419 -10.0988 -10.0988 -1.0217 -1.0217 -0.6348 -0.6348 -0.4681 -0.4681 0.1347 0.1347 0.4977 0.4977 0.6052 0.6052 0.6953 0.6953 0.7632 0.7632 1.0657 1.0657 1.5421 1.5421 1.8679 1.8679 2.1928 2.1928 2.5216 2.5216 2.7590 2.7590 2.8843 2.8843 3.0777 3.0777 3.1957 3.1957 3.4107 3.4107 4.4514 4.4514 4.8557 4.8557 5.3432 5.3432 7.6841 7.6841 7.9415 7.9415 10.8134 10.8134 k = 0.5485 0.2862-0.4116 ( 9856 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8013 -10.8013 -10.3137 -10.3137 -10.2809 -10.2809 -10.1732 -10.1732 -10.1386 -10.1386 -10.0956 -10.0956 -1.0190 -1.0190 -0.6292 -0.6292 -0.4652 -0.4652 0.1187 0.1187 0.4806 0.4806 0.5917 0.5917 0.7079 0.7079 0.7755 0.7755 1.0679 1.0679 1.5574 1.5574 1.8765 1.8765 2.1941 2.1941 2.5140 2.5140 2.7514 2.7514 2.8897 2.8897 3.0788 3.0788 3.1754 3.1754 3.4084 3.4084 4.4603 4.4603 4.8655 4.8655 5.3402 5.3402 7.6865 7.6865 7.9346 7.9346 10.7962 10.7962 k = 0.5606 0.2925-0.3954 ( 9855 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8009 -10.8009 -10.3159 -10.3159 -10.2834 -10.2834 -10.1761 -10.1761 -10.1350 -10.1350 -10.0919 -10.0919 -1.0157 -1.0157 -0.6220 -0.6220 -0.4614 -0.4614 0.1002 0.1002 0.4621 0.4621 0.5732 0.5732 0.7192 0.7192 0.7931 0.7931 1.0702 1.0702 1.5762 1.5762 1.8876 1.8876 2.1958 2.1958 2.5048 2.5048 2.7405 2.7405 2.8959 2.8959 3.0775 3.0775 3.1562 3.1562 3.4046 3.4046 4.4704 4.4704 4.8774 4.8774 5.3365 5.3365 7.6897 7.6897 7.9259 7.9259 10.7756 10.7756 k = 0.5728 0.2988-0.3792 ( 9853 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8005 -10.8005 -10.3194 -10.3194 -10.2850 -10.2850 -10.1790 -10.1790 -10.1314 -10.1314 -10.0877 -10.0877 -1.0122 -1.0122 -0.6135 -0.6135 -0.4567 -0.4567 0.0802 0.0802 0.4424 0.4424 0.5518 0.5518 0.7258 0.7258 0.8166 0.8166 1.0723 1.0723 1.5980 1.5980 1.9013 1.9013 2.1981 2.1981 2.4943 2.4943 2.7253 2.7253 2.9025 2.9025 3.0710 3.0710 3.1431 3.1431 3.3992 3.3992 4.4812 4.4812 4.8909 4.8909 5.3323 5.3323 7.6936 7.6936 7.9157 7.9157 10.7526 10.7526 k = 0.5849 0.3051-0.3630 ( 9857 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8003 -10.8003 -10.3241 -10.3241 -10.2855 -10.2855 -10.1817 -10.1817 -10.1279 -10.1279 -10.0831 -10.0831 -1.0086 -1.0086 -0.6036 -0.6036 -0.4510 -0.4510 0.0597 0.0597 0.4213 0.4213 0.5290 0.5290 0.7277 0.7277 0.8446 0.8446 1.0740 1.0740 1.6222 1.6222 1.9175 1.9175 2.2010 2.2010 2.4829 2.4829 2.7052 2.7052 2.9091 2.9091 3.0590 3.0590 3.1387 3.1387 3.3922 3.3922 4.4923 4.4923 4.9053 4.9053 5.3276 5.3276 7.6982 7.6982 7.9041 7.9041 10.7284 10.7284 k = 0.5970 0.3115-0.3468 ( 9861 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8004 -10.8004 -10.3296 -10.3296 -10.2849 -10.2849 -10.1843 -10.1843 -10.1246 -10.1246 -10.0784 -10.0784 -1.0052 -1.0052 -0.5927 -0.5927 -0.4444 -0.4444 0.0397 0.0397 0.3988 0.3988 0.5056 0.5056 0.7259 0.7259 0.8751 0.8751 1.0749 1.0749 1.6482 1.6482 1.9360 1.9360 2.2045 2.2045 2.4709 2.4709 2.6800 2.6800 2.9152 2.9152 3.0453 3.0453 3.1407 3.1407 3.3836 3.3836 4.5034 4.5034 4.9201 4.9201 5.3227 5.3227 7.7036 7.7036 7.8914 7.8914 10.7040 10.7040 k = 0.6092 0.3178-0.3306 ( 9859 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8010 -10.8010 -10.3356 -10.3356 -10.2835 -10.2835 -10.1867 -10.1867 -10.1215 -10.1215 -10.0735 -10.0735 -1.0021 -1.0021 -0.5809 -0.5809 -0.4370 -0.4370 0.0210 0.0210 0.3751 0.3751 0.4821 0.4821 0.7213 0.7213 0.9066 0.9066 1.0749 1.0749 1.6753 1.6753 1.9567 1.9567 2.2087 2.2087 2.4586 2.4586 2.6498 2.6498 2.9208 2.9208 3.0336 3.0336 3.1462 3.1462 3.3735 3.3735 4.5141 4.5141 4.9344 4.9344 5.3177 5.3177 7.7098 7.7098 7.8779 7.8779 10.6807 10.6807 k = 0.6213 0.3241-0.3144 ( 9869 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8022 -10.8022 -10.3414 -10.3414 -10.2815 -10.2815 -10.1888 -10.1888 -10.1188 -10.1188 -10.0685 -10.0685 -0.9997 -0.9997 -0.5684 -0.5684 -0.4292 -0.4292 0.0043 0.0043 0.3502 0.3502 0.4590 0.4590 0.7145 0.7145 0.9379 0.9379 1.0740 1.0740 1.7029 1.7029 1.9791 1.9791 2.2135 2.2135 2.4466 2.4466 2.6160 2.6160 2.9260 2.9260 3.0253 3.0253 3.1535 3.1535 3.3622 3.3622 4.5244 4.5244 4.9476 4.9476 5.3129 5.3129 7.7167 7.7167 7.8639 7.8639 10.6592 10.6592 k = 0.6334 0.3305-0.2982 ( 9871 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8041 -10.8041 -10.3467 -10.3467 -10.2791 -10.2791 -10.1905 -10.1905 -10.1164 -10.1164 -10.0635 -10.0635 -0.9979 -0.9979 -0.5554 -0.5554 -0.4212 -0.4212 -0.0095 -0.0095 0.3244 0.3244 0.4365 0.4365 0.7059 0.7059 0.9676 0.9676 1.0724 1.0724 1.7305 1.7305 2.0029 2.0029 2.2188 2.2188 2.4353 2.4353 2.5803 2.5803 2.9311 2.9311 3.0202 3.0202 3.1616 3.1616 3.3498 3.3498 4.5342 4.5342 4.9589 4.9589 5.3085 5.3085 7.7243 7.7243 7.8496 7.8496 10.6404 10.6404 k = 0.6334 0.3305-0.2982 ( 9871 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8041 -10.8041 -10.3467 -10.3467 -10.2791 -10.2791 -10.1905 -10.1905 -10.1164 -10.1164 -10.0635 -10.0635 -0.9979 -0.9979 -0.5554 -0.5554 -0.4212 -0.4212 -0.0095 -0.0095 0.3244 0.3244 0.4365 0.4365 0.7059 0.7059 0.9676 0.9676 1.0724 1.0724 1.7305 1.7305 2.0029 2.0029 2.2188 2.2188 2.4353 2.4353 2.5803 2.5803 2.9311 2.9311 3.0202 3.0202 3.1616 3.1616 3.3498 3.3498 4.5342 4.5342 4.9589 4.9589 5.3085 5.3085 7.7243 7.7243 7.8496 7.8496 10.6404 10.6404 k = 0.6276 0.3274-0.2775 ( 9877 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8063 -10.8063 -10.3518 -10.3518 -10.2761 -10.2761 -10.1885 -10.1885 -10.1155 -10.1155 -10.0617 -10.0617 -0.9923 -0.9923 -0.5466 -0.5466 -0.4182 -0.4182 -0.0055 -0.0055 0.3056 0.3056 0.4240 0.4240 0.7036 0.7036 0.9864 0.9864 1.0758 1.0758 1.7500 1.7500 2.0172 2.0172 2.2034 2.2034 2.4048 2.4048 2.5579 2.5579 2.9333 2.9333 3.0216 3.0216 3.1673 3.1673 3.3321 3.3321 4.5525 4.5525 4.9620 4.9620 5.3098 5.3098 7.7201 7.7201 7.8402 7.8402 10.6611 10.6611 k = 0.6218 0.3244-0.2568 ( 9879 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8099 -10.8099 -10.3569 -10.3569 -10.2717 -10.2717 -10.1865 -10.1865 -10.1145 -10.1145 -10.0597 -10.0597 -0.9872 -0.9872 -0.5382 -0.5382 -0.4148 -0.4148 -0.0017 -0.0017 0.2868 0.2868 0.4123 0.4123 0.7013 0.7013 1.0014 1.0014 1.0804 1.0804 1.7676 1.7676 2.0325 2.0325 2.1914 2.1914 2.3737 2.3737 2.5370 2.5370 2.9336 2.9336 3.0238 3.0238 3.1745 3.1745 3.3139 3.3139 4.5717 4.5717 4.9636 4.9636 5.3104 5.3104 7.7156 7.7156 7.8320 7.8320 10.6821 10.6821 k = 0.6160 0.3214-0.2361 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8149 -10.8149 -10.3621 -10.3621 -10.2662 -10.2662 -10.1844 -10.1844 -10.1132 -10.1132 -10.0575 -10.0575 -0.9827 -0.9827 -0.5306 -0.5306 -0.4108 -0.4108 0.0021 0.0021 0.2691 0.2691 0.4014 0.4014 0.6995 0.6995 1.0104 1.0104 1.0869 1.0869 1.7819 1.7819 2.0459 2.0459 2.1844 2.1844 2.3445 2.3445 2.5185 2.5185 2.9313 2.9313 3.0274 3.0274 3.1821 3.1821 3.2959 3.2959 4.5915 4.5915 4.9638 4.9638 5.3103 5.3103 7.7108 7.7108 7.8252 7.8252 10.7027 10.7027 k = 0.6102 0.3184-0.2154 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8209 -10.8209 -10.3671 -10.3671 -10.2598 -10.2598 -10.1824 -10.1824 -10.1116 -10.1116 -10.0551 -10.0551 -0.9787 -0.9787 -0.5241 -0.5241 -0.4063 -0.4063 0.0058 0.0058 0.2534 0.2534 0.3916 0.3916 0.6984 0.6984 1.0128 1.0128 1.0949 1.0949 1.7920 1.7920 2.0535 2.0535 2.1824 2.1824 2.3221 2.3221 2.5036 2.5036 2.9260 2.9260 3.0321 3.0321 3.1894 3.1894 3.2795 3.2795 4.6115 4.6115 4.9623 4.9623 5.3093 5.3093 7.7061 7.7061 7.8198 7.8198 10.7216 10.7216 k = 0.6044 0.3153-0.1947 ( 9880 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8278 -10.8278 -10.3722 -10.3722 -10.2529 -10.2529 -10.1805 -10.1805 -10.1096 -10.1096 -10.0525 -10.0525 -0.9755 -0.9755 -0.5187 -0.5187 -0.4016 -0.4016 0.0100 0.0100 0.2402 0.2402 0.3830 0.3830 0.6979 0.6979 1.0093 1.0093 1.1029 1.1029 1.7974 1.7974 2.0524 2.0524 2.1813 2.1813 2.3123 2.3123 2.4940 2.4940 2.9174 2.9174 3.0377 3.0377 3.1955 3.1955 3.2658 3.2658 4.6313 4.6313 4.9593 4.9593 5.3075 5.3075 7.7018 7.7018 7.8159 7.8159 10.7382 10.7382 k = 0.5986 0.3123-0.1739 ( 9880 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8353 -10.8353 -10.3771 -10.3771 -10.2457 -10.2457 -10.1787 -10.1787 -10.1072 -10.1072 -10.0497 -10.0497 -0.9730 -0.9730 -0.5145 -0.5145 -0.3970 -0.3970 0.0150 0.0150 0.2300 0.2300 0.3759 0.3759 0.6982 0.6982 1.0009 1.0009 1.1091 1.1091 1.7981 1.7981 2.0424 2.0424 2.1769 2.1769 2.3175 2.3175 2.4927 2.4927 2.9052 2.9052 3.0434 3.0434 3.2001 3.2001 3.2562 3.2562 4.6504 4.6504 4.9548 4.9548 5.3048 5.3048 7.6984 7.6984 7.8131 7.8131 10.7516 10.7516 k = 0.5928 0.3093-0.1532 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8433 -10.8433 -10.3818 -10.3818 -10.2383 -10.2383 -10.1772 -10.1772 -10.1044 -10.1044 -10.0468 -10.0468 -0.9711 -0.9711 -0.5111 -0.5111 -0.3932 -0.3932 0.0215 0.0215 0.2226 0.2226 0.3703 0.3703 0.6991 0.6991 0.9889 0.9889 1.1123 1.1123 1.7946 1.7946 2.0243 2.0243 2.1717 2.1717 2.3300 2.3300 2.5038 2.5038 2.8894 2.8894 3.0489 3.0489 3.2029 3.2029 3.2515 3.2515 4.6686 4.6686 4.9488 4.9488 5.3011 5.3011 7.6963 7.6963 7.8114 7.8114 10.7614 10.7614 k = 0.5870 0.3062-0.1325 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8516 -10.8516 -10.3864 -10.3864 -10.2311 -10.2311 -10.1760 -10.1760 -10.1010 -10.1010 -10.0437 -10.0437 -0.9700 -0.9700 -0.5082 -0.5082 -0.3907 -0.3907 0.0300 0.0300 0.2181 0.2181 0.3664 0.3664 0.7006 0.7006 0.9738 0.9738 1.1116 1.1116 1.7871 1.7871 2.0000 2.0000 2.1698 2.1698 2.3406 2.3406 2.5300 2.5300 2.8699 2.8699 3.0540 3.0540 3.2051 3.2051 3.2509 3.2509 4.6853 4.6853 4.9417 4.9417 5.2966 5.2966 7.6959 7.6959 7.8104 7.8104 10.7673 10.7673 k = 0.5812 0.3032-0.1118 ( 9882 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8599 -10.8599 -10.3907 -10.3907 -10.2241 -10.2241 -10.1751 -10.1751 -10.0973 -10.0973 -10.0404 -10.0404 -0.9696 -0.9696 -0.5057 -0.5057 -0.3901 -0.3901 0.0412 0.0412 0.2160 0.2160 0.3643 0.3643 0.7025 0.7025 0.9562 0.9562 1.1066 1.1066 1.7758 1.7758 1.9726 1.9726 2.1726 2.1726 2.3462 2.3462 2.5698 2.5698 2.8470 2.8470 3.0584 3.0584 3.2082 3.2082 3.2533 3.2533 4.7001 4.7001 4.9337 4.9337 5.2913 5.2913 7.6973 7.6973 7.8099 7.8099 10.7693 10.7693 k = 0.5754 0.3002-0.0911 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8682 -10.8682 -10.3948 -10.3948 -10.2175 -10.2175 -10.1745 -10.1745 -10.0932 -10.0932 -10.0371 -10.0371 -0.9698 -0.9698 -0.5033 -0.5033 -0.3914 -0.3914 0.0551 0.0551 0.2159 0.2159 0.3641 0.3641 0.7047 0.7047 0.9367 0.9367 1.0972 1.0972 1.7608 1.7608 1.9450 1.9450 2.1795 2.1795 2.3482 2.3482 2.6187 2.6187 2.8213 2.8213 3.0621 3.0621 3.2128 3.2128 3.2574 3.2574 4.7124 4.7124 4.9252 4.9252 5.2852 5.2852 7.7008 7.7008 7.8098 7.8098 10.7676 10.7676 k = 0.5696 0.2972-0.0704 ( 9887 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8764 -10.8764 -10.3987 -10.3987 -10.2114 -10.2114 -10.1742 -10.1742 -10.0889 -10.0889 -10.0336 -10.0336 -0.9704 -0.9704 -0.5010 -0.5010 -0.3945 -0.3945 0.0719 0.0719 0.2176 0.2176 0.3660 0.3660 0.7072 0.7072 0.9157 0.9157 1.0836 1.0836 1.7420 1.7420 1.9196 1.9196 2.1896 2.1896 2.3490 2.3490 2.6722 2.6722 2.7935 2.7935 3.0653 3.0653 3.2188 3.2188 3.2633 3.2633 4.7216 4.7216 4.9168 4.9168 5.2786 5.2786 7.7062 7.7062 7.8099 7.8099 10.7627 10.7627 k = 0.5638 0.2941-0.0497 ( 9885 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8843 -10.8843 -10.4023 -10.4023 -10.2058 -10.2058 -10.1741 -10.1741 -10.0845 -10.0845 -10.0300 -10.0300 -0.9716 -0.9716 -0.4986 -0.4986 -0.3991 -0.3991 0.0911 0.0911 0.2204 0.2204 0.3701 0.3701 0.7097 0.7097 0.8936 0.8936 1.0660 1.0660 1.7193 1.7193 1.8980 1.8980 2.2020 2.2020 2.3497 2.3497 2.7254 2.7254 2.7662 2.7662 3.0678 3.0678 3.2250 3.2250 3.2716 3.2716 4.7271 4.7271 4.9091 4.9091 5.2715 5.2715 7.7135 7.7135 7.8103 7.8103 10.7550 10.7550 k = 0.5580 0.2911-0.0290 ( 9879 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8917 -10.8917 -10.4056 -10.4056 -10.2007 -10.2007 -10.1742 -10.1742 -10.0802 -10.0802 -10.0263 -10.0263 -0.9730 -0.9730 -0.4963 -0.4963 -0.4048 -0.4048 0.1121 0.1121 0.2243 0.2243 0.3765 0.3765 0.7121 0.7121 0.8711 0.8711 1.0451 1.0451 1.6936 1.6936 1.8807 1.8807 2.2162 2.2162 2.3510 2.3510 2.7293 2.7293 2.7872 2.7872 3.0696 3.0696 3.2301 3.2301 3.2834 3.2834 4.7284 4.7284 4.9028 4.9028 5.2642 5.2642 7.7224 7.7224 7.8107 7.8107 10.7452 10.7452 k = 0.5522 0.2881-0.0083 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8987 -10.8987 -10.4086 -10.4086 -10.1962 -10.1962 -10.1745 -10.1745 -10.0761 -10.0761 -10.0226 -10.0226 -0.9747 -0.9747 -0.4942 -0.4942 -0.4110 -0.4110 0.1341 0.1341 0.2290 0.2290 0.3855 0.3855 0.7141 0.7141 0.8484 0.8484 1.0214 1.0214 1.6658 1.6658 1.8674 1.8674 2.2314 2.2314 2.3532 2.3532 2.6998 2.6998 2.8392 2.8392 3.0709 3.0709 3.2332 3.2332 3.2990 3.2990 4.7254 4.7254 4.8982 4.8982 5.2568 5.2568 7.7327 7.7327 7.8112 7.8112 10.7339 10.7339 k = 0.5464 0.2851 0.0125 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9052 -10.9052 -10.4113 -10.4113 -10.1921 -10.1921 -10.1748 -10.1748 -10.0723 -10.0723 -10.0189 -10.0189 -0.9764 -0.9764 -0.4924 -0.4924 -0.4172 -0.4172 0.1558 0.1558 0.2347 0.2347 0.3969 0.3969 0.7156 0.7156 0.8263 0.8263 0.9957 0.9957 1.6373 1.6373 1.8572 1.8572 2.2473 2.2473 2.3564 2.3564 2.6696 2.6696 2.8890 2.8890 3.0717 3.0717 3.2344 3.2344 3.3182 3.3182 4.7182 4.7182 4.8954 4.8954 5.2497 5.2497 7.7437 7.7437 7.8117 7.8117 10.7217 10.7217 k = 0.5406 0.2820 0.0332 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9110 -10.9110 -10.4137 -10.4137 -10.1886 -10.1886 -10.1753 -10.1753 -10.0689 -10.0689 -10.0154 -10.0154 -0.9782 -0.9782 -0.4910 -0.4910 -0.4230 -0.4230 0.1756 0.1756 0.2421 0.2421 0.4108 0.4108 0.7161 0.7161 0.8052 0.8052 0.9687 0.9687 1.6094 1.6094 1.8496 1.8496 2.2633 2.2633 2.3605 2.3605 2.6400 2.6400 2.9346 2.9346 3.0720 3.0720 3.2338 3.2338 3.3401 3.3401 4.7078 4.7078 4.8941 4.8941 5.2429 5.2429 7.7551 7.7551 7.8124 7.8124 10.7093 10.7093 k = 0.5348 0.2790 0.0539 ( 9850 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9161 -10.9161 -10.4158 -10.4158 -10.1856 -10.1856 -10.1757 -10.1757 -10.0659 -10.0659 -10.0121 -10.0121 -0.9799 -0.9799 -0.4903 -0.4903 -0.4278 -0.4278 0.1918 0.1918 0.2519 0.2519 0.4268 0.4268 0.7155 0.7155 0.7856 0.7856 0.9416 0.9416 1.5831 1.5831 1.8438 1.8438 2.2789 2.2789 2.3654 2.3654 2.6117 2.6117 2.9749 2.9749 3.0722 3.0722 3.2319 3.2319 3.3636 3.3636 4.6953 4.6953 4.8938 4.8938 5.2367 5.2367 7.7662 7.7662 7.8132 7.8132 10.6972 10.6972 k = 0.5290 0.2760 0.0746 ( 9861 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9206 -10.9206 -10.4176 -10.4176 -10.1831 -10.1831 -10.1761 -10.1761 -10.0633 -10.0633 -10.0091 -10.0091 -0.9815 -0.9815 -0.4903 -0.4903 -0.4316 -0.4316 0.2033 0.2033 0.2644 0.2644 0.4444 0.4444 0.7133 0.7133 0.7682 0.7682 0.9153 0.9153 1.5594 1.5594 1.8395 1.8395 2.2936 2.2936 2.3712 2.3712 2.5850 2.5850 3.0092 3.0092 3.0727 3.0727 3.2289 3.2289 3.3873 3.3873 4.6817 4.6817 4.8941 4.8941 5.2313 5.2313 7.7763 7.7763 7.8145 7.8145 10.6859 10.6859 k = 0.5232 0.2730 0.0953 ( 9857 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9243 -10.9243 -10.4190 -10.4190 -10.1810 -10.1810 -10.1765 -10.1765 -10.0613 -10.0613 -10.0065 -10.0065 -0.9828 -0.9828 -0.4908 -0.4908 -0.4342 -0.4342 0.2105 0.2105 0.2781 0.2781 0.4629 0.4629 0.7093 0.7093 0.7536 0.7536 0.8911 0.8911 1.5390 1.5390 1.8362 1.8362 2.3068 2.3068 2.3778 2.3778 2.5606 2.5606 3.0362 3.0362 3.0746 3.0746 3.2251 3.2251 3.4098 3.4098 4.6685 4.6685 4.8946 4.8946 5.2267 5.2267 7.7847 7.7847 7.8162 7.8162 10.6760 10.6760 k = 0.5174 0.2699 0.1160 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9272 -10.9272 -10.4202 -10.4202 -10.1794 -10.1794 -10.1769 -10.1769 -10.0597 -10.0597 -10.0044 -10.0044 -0.9839 -0.9839 -0.4917 -0.4917 -0.4359 -0.4359 0.2149 0.2149 0.2910 0.2910 0.4810 0.4810 0.7036 0.7036 0.7419 0.7419 0.8706 0.8706 1.5225 1.5225 1.8339 1.8339 2.3178 2.3178 2.3851 2.3851 2.5389 2.5389 3.0530 3.0530 3.0809 3.0809 3.2209 3.2209 3.4295 3.4295 4.6568 4.6568 4.8951 4.8951 5.2231 5.2231 7.7909 7.7909 7.8184 7.8184 10.6679 10.6679 k = 0.5116 0.2669 0.1367 ( 9862 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9292 -10.9292 -10.4210 -10.4210 -10.1782 -10.1782 -10.1771 -10.1771 -10.0585 -10.0585 -10.0028 -10.0028 -0.9847 -0.9847 -0.4926 -0.4926 -0.4368 -0.4368 0.2175 0.2175 0.3014 0.3014 0.4967 0.4967 0.6976 0.6976 0.7332 0.7332 0.8550 0.8550 1.5104 1.5104 1.8323 1.8323 2.3260 2.3260 2.3924 2.3924 2.5211 2.5211 3.0592 3.0592 3.0919 3.0919 3.2169 3.2169 3.4448 3.4448 4.6475 4.6475 4.8955 4.8955 5.2205 5.2205 7.7948 7.7948 7.8209 7.8209 10.6618 10.6618 k = 0.5058 0.2639 0.1574 ( 9884 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.9305 -10.9305 -10.4215 -10.4215 -10.1776 -10.1776 -10.1773 -10.1773 -10.0578 -10.0578 -10.0019 -10.0019 -0.9852 -0.9852 -0.4933 -0.4933 -0.4373 -0.4373 0.2189 0.2189 0.3081 0.3081 0.5078 0.5078 0.6929 0.6929 0.7275 0.7275 0.8453 0.8453 1.5029 1.5029 1.8314 1.8314 2.3309 2.3309 2.3984 2.3984 2.5089 2.5089 3.0609 3.0609 3.1009 3.1009 3.2138 3.2138 3.4546 3.4546 4.6416 4.6416 4.8958 4.8958 5.2190 5.2190 7.7968 7.7968 7.8228 7.8228 10.6581 10.6581 k = 0.5000 0.2609 0.1781 ( 9902 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.9309 -10.9309 -10.4217 -10.4217 -10.1774 -10.1774 -10.1773 -10.1773 -10.0576 -10.0576 -10.0015 -10.0015 -0.9853 -0.9853 -0.4935 -0.4935 -0.4374 -0.4374 0.2193 0.2193 0.3104 0.3104 0.5119 0.5119 0.6910 0.6910 0.7255 0.7255 0.8420 0.8420 1.5004 1.5004 1.8311 1.8311 2.3325 2.3325 2.4008 2.4008 2.5044 2.5044 3.0612 3.0612 3.1042 3.1042 3.2127 3.2127 3.4579 3.4579 4.6396 4.6396 4.8959 4.8959 5.2184 5.2184 7.7975 7.7975 7.8235 7.8235 10.6568 10.6568 k = 0.5000-0.3488-0.2382 ( 9870 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8822 -10.8822 -10.3741 -10.3741 -10.2420 -10.2420 -10.1845 -10.1845 -10.0818 -10.0818 -10.0074 -10.0074 -1.1647 -1.1647 -0.5098 -0.5098 -0.2518 -0.2518 -0.0934 -0.0934 0.0795 0.0795 0.3732 0.3732 0.6061 0.6061 0.6169 0.6169 1.1617 1.1617 1.6239 1.6239 2.1896 2.1896 2.5935 2.5935 2.8169 2.8169 2.8538 2.8538 2.9013 2.9013 3.1082 3.1082 3.2816 3.2816 3.3376 3.3376 4.3634 4.3634 4.7347 4.7347 5.3099 5.3099 7.7514 7.7514 8.0505 8.0505 10.6208 10.6208 k = 0.5140-0.3350-0.2288 ( 9886 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8818 -10.8818 -10.3740 -10.3740 -10.2419 -10.2419 -10.1849 -10.1849 -10.0819 -10.0819 -10.0076 -10.0076 -1.1637 -1.1637 -0.5092 -0.5092 -0.2542 -0.2542 -0.0944 -0.0944 0.0829 0.0829 0.3714 0.3714 0.6033 0.6033 0.6231 0.6231 1.1618 1.1618 1.6246 1.6246 2.1901 2.1901 2.5905 2.5905 2.8135 2.8135 2.8522 2.8522 2.9029 2.9029 3.1096 3.1096 3.2816 3.2816 3.3339 3.3339 4.3648 4.3648 4.7374 4.7374 5.3096 5.3096 7.7517 7.7517 8.0487 8.0487 10.6068 10.6068 k = 0.5281-0.3213-0.2194 ( 9899 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8807 -10.8807 -10.3736 -10.3736 -10.2414 -10.2414 -10.1863 -10.1863 -10.0823 -10.0823 -10.0083 -10.0083 -1.1609 -1.1609 -0.5073 -0.5073 -0.2610 -0.2610 -0.0971 -0.0971 0.0923 0.0923 0.3663 0.3663 0.5990 0.5990 0.6371 0.6371 1.1621 1.1621 1.6268 1.6268 2.1915 2.1915 2.5818 2.5818 2.8040 2.8040 2.8471 2.8471 2.9074 2.9074 3.1132 3.1132 3.2811 3.2811 3.3237 3.3237 4.3687 4.3687 4.7457 4.7457 5.3085 5.3085 7.7525 7.7525 8.0434 8.0434 10.5760 10.5760 k = 0.5421-0.3076-0.2100 ( 9898 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8788 -10.8788 -10.3729 -10.3729 -10.2407 -10.2407 -10.1885 -10.1885 -10.0829 -10.0829 -10.0094 -10.0094 -1.1562 -1.1562 -0.5044 -0.5044 -0.2717 -0.2717 -0.1010 -0.1010 0.1066 0.1066 0.3593 0.3593 0.5945 0.5945 0.6566 0.6566 1.1623 1.1623 1.6304 1.6304 2.1939 2.1939 2.5677 2.5677 2.7895 2.7895 2.8384 2.8384 2.9140 2.9140 3.1184 3.1184 3.2777 3.2777 3.3106 3.3106 4.3748 4.3748 4.7588 4.7588 5.3067 5.3067 7.7539 7.7539 8.0347 8.0347 10.5413 10.5413 k = 0.5562-0.2938-0.2007 ( 9895 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8763 -10.8763 -10.3720 -10.3720 -10.2398 -10.2398 -10.1915 -10.1915 -10.0838 -10.0838 -10.0110 -10.0110 -1.1497 -1.1497 -0.5005 -0.5005 -0.2852 -0.2852 -0.1055 -0.1055 0.1241 0.1241 0.3519 0.3519 0.5897 0.5897 0.6805 0.6805 1.1623 1.1623 1.6354 1.6354 2.1972 2.1972 2.5491 2.5491 2.7706 2.7706 2.8266 2.8266 2.9215 2.9215 3.1242 3.1242 3.2650 3.2650 3.3025 3.3025 4.3829 4.3829 4.7762 4.7762 5.3043 5.3043 7.7558 7.7558 8.0229 8.0229 10.5082 10.5082 k = 0.5702-0.2801-0.1913 ( 9891 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8730 -10.8730 -10.3708 -10.3708 -10.2387 -10.2387 -10.1952 -10.1952 -10.0849 -10.0849 -10.0129 -10.0129 -1.1416 -1.1416 -0.4960 -0.4960 -0.3004 -0.3004 -0.1101 -0.1101 0.1432 0.1432 0.3455 0.3455 0.5846 0.5846 0.7077 0.7077 1.1615 1.1615 1.6421 1.6421 2.2012 2.2012 2.5268 2.5268 2.7480 2.7480 2.8120 2.8120 2.9290 2.9290 3.1288 3.1288 3.2429 3.2429 3.3018 3.3018 4.3925 4.3925 4.7970 4.7970 5.3013 5.3013 7.7583 7.7583 8.0082 8.0082 10.4789 10.4789 k = 0.5843-0.2664-0.1819 ( 9893 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8691 -10.8691 -10.3694 -10.3694 -10.2374 -10.2374 -10.1995 -10.1995 -10.0863 -10.0863 -10.0152 -10.0152 -1.1321 -1.1321 -0.4913 -0.4913 -0.3164 -0.3164 -0.1144 -0.1144 0.1625 0.1625 0.3414 0.3414 0.5799 0.5799 0.7373 0.7373 1.1597 1.1597 1.6502 1.6502 2.2057 2.2057 2.5016 2.5016 2.7220 2.7220 2.7948 2.7948 2.9356 2.9356 3.1302 3.1302 3.2194 3.2194 3.3044 3.3044 4.4033 4.4033 4.8201 4.8201 5.2979 5.2979 7.7612 7.7612 7.9912 7.9912 10.4545 10.4545 k = 0.5983-0.2527-0.1725 ( 9883 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8646 -10.8646 -10.3678 -10.3678 -10.2363 -10.2363 -10.2041 -10.2041 -10.0880 -10.0880 -10.0179 -10.0179 -1.1213 -1.1213 -0.4870 -0.4870 -0.3322 -0.3322 -0.1182 -0.1182 0.1807 0.1807 0.3402 0.3402 0.5759 0.5759 0.7684 0.7684 1.1566 1.1566 1.6598 1.6598 2.2101 2.2101 2.4746 2.4746 2.6929 2.6929 2.7751 2.7751 2.9408 2.9408 3.1248 3.1248 3.2012 3.2012 3.3083 3.3083 4.4148 4.4148 4.8444 4.8444 5.2941 5.2941 7.7646 7.7646 7.9722 7.9722 10.4358 10.4358 k = 0.6123-0.2389-0.1632 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8596 -10.8596 -10.3660 -10.3660 -10.2357 -10.2357 -10.2087 -10.2087 -10.0899 -10.0899 -10.0208 -10.0208 -1.1096 -1.1096 -0.4838 -0.4838 -0.3469 -0.3469 -0.1209 -0.1209 0.1967 0.1967 0.3426 0.3426 0.5735 0.5735 0.8003 0.8003 1.1518 1.1518 1.6707 1.6707 2.2138 2.2138 2.4472 2.4472 2.6609 2.6609 2.7530 2.7530 2.9441 2.9441 3.1112 3.1112 3.1920 3.1920 3.3130 3.3130 4.4267 4.4267 4.8689 4.8689 5.2901 5.2901 7.7684 7.7684 7.9517 7.9517 10.4231 10.4231 k = 0.6264-0.2252-0.1538 ( 9876 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9469 -32.9469 -10.8542 -10.8542 -10.3640 -10.3640 -10.2361 -10.2361 -10.2123 -10.2123 -10.0920 -10.0920 -10.0239 -10.0239 -1.0972 -1.0972 -0.4824 -0.4824 -0.3598 -0.3598 -0.1221 -0.1221 0.2101 0.2101 0.3484 0.3484 0.5733 0.5733 0.8322 0.8322 1.1451 1.1451 1.6827 1.6827 2.2152 2.2152 2.4210 2.4210 2.6263 2.6263 2.7287 2.7287 2.9453 2.9453 3.0933 3.0933 3.1893 3.1893 3.3181 3.3181 4.4389 4.4389 4.8927 4.8927 5.2864 5.2864 7.7726 7.7726 7.9302 7.9302 10.4166 10.4166 k = 0.6404-0.2115-0.1444 ( 9872 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8484 -10.8484 -10.3620 -10.3620 -10.2385 -10.2385 -10.2142 -10.2142 -10.0943 -10.0943 -10.0273 -10.0273 -1.0844 -1.0844 -0.4836 -0.4836 -0.3702 -0.3702 -0.1213 -0.1213 0.2212 0.2212 0.3565 0.3565 0.5762 0.5762 0.8636 0.8636 1.1367 1.1367 1.6954 1.6954 2.2124 2.2124 2.3984 2.3984 2.5894 2.5894 2.7027 2.7027 2.9446 2.9446 3.0758 3.0758 3.1890 3.1890 3.3233 3.3233 4.4510 4.4510 4.9147 4.9147 5.2830 5.2830 7.7770 7.7770 7.9084 7.9084 10.4163 10.4163 k = 0.6545-0.1977-0.1350 ( 9879 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8424 -10.8424 -10.3598 -10.3598 -10.2429 -10.2429 -10.2141 -10.2141 -10.0968 -10.0968 -10.0309 -10.0309 -1.0715 -1.0715 -0.4876 -0.4876 -0.3781 -0.3781 -0.1181 -0.1181 0.2307 0.2307 0.3658 0.3658 0.5826 0.5826 0.8938 0.8938 1.1263 1.1263 1.7082 1.7082 2.2028 2.2028 2.3818 2.3818 2.5510 2.5510 2.6757 2.6757 2.9427 2.9427 3.0608 3.0608 3.1892 3.1892 3.3286 3.3286 4.4629 4.4629 4.9342 4.9342 5.2805 5.2805 7.7816 7.7816 7.8867 7.8867 10.4222 10.4222 k = 0.6685-0.1840-0.1257 ( 9887 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9476 -32.9476 -32.9470 -32.9470 -10.8362 -10.8362 -10.3576 -10.3576 -10.2486 -10.2486 -10.2125 -10.2125 -10.0994 -10.0994 -10.0346 -10.0346 -1.0588 -1.0588 -0.4942 -0.4942 -0.3840 -0.3840 -0.1122 -0.1122 0.2396 0.2396 0.3750 0.3750 0.5928 0.5928 0.9222 0.9222 1.1143 1.1143 1.7208 1.7208 2.1851 2.1851 2.3718 2.3718 2.5131 2.5131 2.6487 2.6487 2.9402 2.9402 3.0485 3.0485 3.1888 3.1888 3.3336 3.3336 4.4745 4.4745 4.9503 4.9503 5.2792 5.2792 7.7858 7.7858 7.8659 7.8659 10.4340 10.4340 k = 0.6826-0.1703-0.1163 ( 9873 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8301 -10.8301 -10.3555 -10.3555 -10.2547 -10.2547 -10.2101 -10.2101 -10.1021 -10.1021 -10.0385 -10.0385 -1.0466 -1.0466 -0.5025 -0.5025 -0.3888 -0.3888 -0.1034 -0.1034 0.2487 0.2487 0.3835 0.3835 0.6066 0.6066 0.9480 0.9480 1.1010 1.1010 1.7322 1.7322 2.1605 2.1605 2.3649 2.3649 2.4796 2.4796 2.6225 2.6225 2.9381 2.9381 3.0385 3.0385 3.1876 3.1876 3.3381 3.3381 4.4856 4.4856 4.9627 4.9627 5.2794 5.2794 7.7887 7.7887 7.8474 7.8474 10.4514 10.4514 k = 0.6966-0.1566-0.1069 ( 9874 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8242 -10.8242 -10.3535 -10.3535 -10.2608 -10.2608 -10.2072 -10.2072 -10.1047 -10.1047 -10.0425 -10.0425 -1.0353 -1.0353 -0.5118 -0.5118 -0.3933 -0.3933 -0.0918 -0.0918 0.2587 0.2587 0.3911 0.3911 0.6232 0.6232 0.9702 0.9702 1.0872 1.0872 1.7417 1.7417 2.1316 2.1316 2.3530 2.3530 2.4571 2.4571 2.5982 2.5982 2.9366 2.9366 3.0303 3.0303 3.1853 3.1853 3.3421 3.3421 4.4960 4.4960 4.9708 4.9708 5.2813 5.2813 7.7879 7.7879 7.8339 7.8339 10.4740 10.4740 k = 0.7106-0.1428-0.0975 ( 9878 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8186 -10.8186 -10.3517 -10.3517 -10.2665 -10.2665 -10.2041 -10.2041 -10.1074 -10.1074 -10.0466 -10.0466 -1.0250 -1.0250 -0.5214 -0.5214 -0.3980 -0.3980 -0.0779 -0.0779 0.2698 0.2698 0.3984 0.3984 0.6416 0.6416 0.9871 0.9871 1.0744 1.0744 1.7483 1.7483 2.1010 2.1010 2.3304 2.3304 2.4501 2.4501 2.5771 2.5771 2.9359 2.9359 3.0236 3.0236 3.1819 3.1819 3.3453 3.3453 4.5056 4.5056 4.9749 4.9749 5.2848 5.2848 7.7802 7.7802 7.8287 7.8287 10.5011 10.5011 k = 0.7247-0.1291-0.0882 ( 9877 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8137 -10.8137 -10.3502 -10.3502 -10.2714 -10.2714 -10.2007 -10.2007 -10.1099 -10.1099 -10.0508 -10.0508 -1.0160 -1.0160 -0.5307 -0.5307 -0.4031 -0.4031 -0.0621 -0.0621 0.2823 0.2823 0.4058 0.4058 0.6604 0.6604 0.9956 0.9956 1.0656 1.0656 1.7512 1.7512 2.0712 2.0712 2.3009 2.3009 2.4520 2.4520 2.5618 2.5618 2.9357 2.9357 3.0187 3.0187 3.1776 3.1776 3.3477 3.3477 4.5143 4.5143 4.9752 4.9752 5.2897 5.2897 7.7671 7.7671 7.8305 7.8305 10.5321 10.5321 k = 0.7387-0.1154-0.0788 ( 9875 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9470 -32.9470 -10.8094 -10.8094 -10.3489 -10.3489 -10.2752 -10.2752 -10.1973 -10.1973 -10.1123 -10.1123 -10.0550 -10.0550 -1.0085 -1.0085 -0.5396 -0.5396 -0.4088 -0.4088 -0.0450 -0.0450 0.2960 0.2960 0.4141 0.4141 0.6785 0.6785 0.9931 0.9931 1.0640 1.0640 1.7492 1.7492 2.0441 2.0441 2.2706 2.2706 2.4532 2.4532 2.5562 2.5562 2.9353 2.9353 3.0161 3.0161 3.1726 3.1726 3.3493 3.3493 4.5221 4.5221 4.9722 4.9722 5.2956 5.2956 7.7523 7.7523 7.8357 7.8357 10.5662 10.5662 k = 0.7528-0.1016-0.0694 ( 9873 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8062 -10.8062 -10.3478 -10.3478 -10.2778 -10.2778 -10.1939 -10.1939 -10.1145 -10.1145 -10.0593 -10.0593 -1.0024 -1.0024 -0.5479 -0.5479 -0.4148 -0.4148 -0.0273 -0.0273 0.3104 0.3104 0.4241 0.4241 0.6942 0.6942 0.9820 0.9820 1.0676 1.0676 1.7422 1.7422 2.0211 2.0211 2.2427 2.2427 2.4474 2.4474 2.5631 2.5631 2.9339 2.9339 3.0164 3.0164 3.1671 3.1671 3.3499 3.3499 4.5287 4.5287 4.9665 4.9665 5.3020 5.3020 7.7378 7.7378 7.8423 7.8423 10.6026 10.6026 k = 0.7668-0.0879-0.0600 ( 9871 PWs) bands (ev): -71.4183 -71.4183 -42.7679 -42.7679 -32.9475 -32.9475 -32.9469 -32.9469 -10.8041 -10.8041 -10.3467 -10.3467 -10.2791 -10.2791 -10.1905 -10.1905 -10.1164 -10.1164 -10.0635 -10.0635 -0.9979 -0.9979 -0.5554 -0.5554 -0.4212 -0.4212 -0.0095 -0.0095 0.3245 0.3245 0.4365 0.4365 0.7059 0.7059 0.9676 0.9676 1.0724 1.0724 1.7305 1.7305 2.0029 2.0029 2.2188 2.2188 2.4353 2.4353 2.5803 2.5803 2.9311 2.9311 3.0202 3.0202 3.1616 3.1616 3.3498 3.3498 4.5342 4.5342 4.9589 4.9589 5.3085 5.3085 7.7243 7.7243 7.8496 7.8496 10.6404 10.6404 Writing output data file WBr6.save init_run : 0.34s CPU 0.52s WALL ( 1 calls) electrons : 221.96s CPU 224.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 221.95s CPU 224.54s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 220 calls) cegterg : 199.13s CPU 201.06s WALL ( 252 calls) Called by sum_band: Called by *egterg: h_psi : 129.02s CPU 131.05s WALL ( 4451 calls) s_psi : 2.52s CPU 2.56s WALL ( 4451 calls) g_psi : 0.19s CPU 0.20s WALL ( 3979 calls) cdiaghg : 62.76s CPU 62.97s WALL ( 4199 calls) cegterg:over : 9.00s CPU 8.82s WALL ( 3979 calls) cegterg:upda : 5.72s CPU 5.75s WALL ( 3979 calls) cegterg:last : 3.80s CPU 3.74s WALL ( 692 calls) cdiaghg:chol : 2.50s CPU 2.58s WALL ( 4199 calls) cdiaghg:inve : 1.72s CPU 1.72s WALL ( 4199 calls) cdiaghg:para : 3.86s CPU 3.81s WALL ( 8398 calls) Called by h_psi: h_psi:vloc : 121.85s CPU 123.81s WALL ( 4451 calls) h_psi:vnl : 7.00s CPU 7.02s WALL ( 4451 calls) add_vuspsi : 3.05s CPU 2.99s WALL ( 4451 calls) General routines calbec : 3.94s CPU 4.02s WALL ( 4451 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 116.35s CPU 117.99s WALL ( 571516 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.26s WALL ( 440 calls) Parallel routines fft_scatter : 74.74s CPU 75.93s WALL ( 571539 calls) PWSCF : 4m20.30s CPU 4m40.41s WALL This run was terminated on: 4:30: 0 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=