Program PWSCF v.5.1.1 starts on 28Aug2015 at 3:15: 3 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SiF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 24 7 1065 521 84 Max 40 25 8 1068 547 87 Sum 1881 1175 345 51173 25651 4093 bravais-lattice index = 14 lattice parameter (alat) = 8.8701 a.u. unit-cell volume = 537.2351 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.870105 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 F 7.00 18.99840 F( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0086207 -0.0060957 0.0105581), wk = 0.0036101 k( 3) = ( 0.0172414 -0.0121915 0.0211163), wk = 0.0036101 k( 4) = ( 0.0258621 -0.0182872 0.0316744), wk = 0.0036101 k( 5) = ( 0.0344828 -0.0243830 0.0422326), wk = 0.0036101 k( 6) = ( 0.0431035 -0.0304787 0.0527907), wk = 0.0036101 k( 7) = ( 0.0517241 -0.0365745 0.0633489), wk = 0.0036101 k( 8) = ( 0.0603448 -0.0426702 0.0739070), wk = 0.0036101 k( 9) = ( 0.0689655 -0.0487660 0.0844652), wk = 0.0036101 k( 10) = ( 0.0775862 -0.0548617 0.0950233), wk = 0.0036101 k( 11) = ( 0.0862069 -0.0609575 0.1055815), wk = 0.0036101 k( 12) = ( 0.0948276 -0.0670532 0.1161396), wk = 0.0036101 k( 13) = ( 0.1034483 -0.0731490 0.1266978), wk = 0.0036101 k( 14) = ( 0.1120690 -0.0792447 0.1372559), wk = 0.0036101 k( 15) = ( 0.1206897 -0.0853405 0.1478140), wk = 0.0036101 k( 16) = ( 0.1293103 -0.0914362 0.1583722), wk = 0.0036101 k( 17) = ( 0.1379310 -0.0975320 0.1689303), wk = 0.0036101 k( 18) = ( 0.1465517 -0.1036277 0.1794885), wk = 0.0036101 k( 19) = ( 0.1551724 -0.1097235 0.1900466), wk = 0.0036101 k( 20) = ( 0.1637931 -0.1158192 0.2006048), wk = 0.0036101 k( 21) = ( 0.1724138 -0.1219150 0.2111629), wk = 0.0036101 k( 22) = ( 0.1810345 -0.1280107 0.2217211), wk = 0.0036101 k( 23) = ( 0.1896552 -0.1341065 0.2322792), wk = 0.0036101 k( 24) = ( 0.1982759 -0.1402022 0.2428373), wk = 0.0036101 k( 25) = ( 0.2068966 -0.1462980 0.2533955), wk = 0.0036101 k( 26) = ( 0.2155172 -0.1523937 0.2639536), wk = 0.0036101 k( 27) = ( 0.2241379 -0.1584895 0.2745118), wk = 0.0036101 k( 28) = ( 0.2327586 -0.1645852 0.2850699), wk = 0.0036101 k( 29) = ( 0.2413793 -0.1706809 0.2956281), wk = 0.0036101 k( 30) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0036101 k( 31) = ( 0.2586207 -0.1828724 0.3167444), wk = 0.0036101 k( 32) = ( 0.2672414 -0.1889682 0.3273025), wk = 0.0036101 k( 33) = ( 0.2758621 -0.1950639 0.3378607), wk = 0.0036101 k( 34) = ( 0.2844828 -0.2011597 0.3484188), wk = 0.0036101 k( 35) = ( 0.2931034 -0.2072554 0.3589769), wk = 0.0036101 k( 36) = ( 0.3017241 -0.2133512 0.3695351), wk = 0.0036101 k( 37) = ( 0.3103448 -0.2194469 0.3800932), wk = 0.0036101 k( 38) = ( 0.3189655 -0.2255427 0.3906514), wk = 0.0036101 k( 39) = ( 0.3275862 -0.2316384 0.4012095), wk = 0.0036101 k( 40) = ( 0.3362069 -0.2377342 0.4117677), wk = 0.0036101 k( 41) = ( 0.3448276 -0.2438299 0.4223258), wk = 0.0036101 k( 42) = ( 0.3534483 -0.2499257 0.4328840), wk = 0.0036101 k( 43) = ( 0.3620690 -0.2560214 0.4434421), wk = 0.0036101 k( 44) = ( 0.3706897 -0.2621172 0.4540003), wk = 0.0036101 k( 45) = ( 0.3793103 -0.2682129 0.4645584), wk = 0.0036101 k( 46) = ( 0.3879310 -0.2743087 0.4751165), wk = 0.0036101 k( 47) = ( 0.3965517 -0.2804044 0.4856747), wk = 0.0036101 k( 48) = ( 0.4051724 -0.2865002 0.4962328), wk = 0.0036101 k( 49) = ( 0.4137931 -0.2925959 0.5067910), wk = 0.0036101 k( 50) = ( 0.4224138 -0.2986917 0.5173491), wk = 0.0036101 k( 51) = ( 0.4310345 -0.3047874 0.5279073), wk = 0.0036101 k( 52) = ( 0.4396552 -0.3108832 0.5384654), wk = 0.0036101 k( 53) = ( 0.4482759 -0.3169789 0.5490236), wk = 0.0036101 k( 54) = ( 0.4568966 -0.3230746 0.5595817), wk = 0.0036101 k( 55) = ( 0.4655172 -0.3291704 0.5701399), wk = 0.0036101 k( 56) = ( 0.4741379 -0.3352661 0.5806980), wk = 0.0036101 k( 57) = ( 0.4827586 -0.3413619 0.5912561), wk = 0.0036101 k( 58) = ( 0.4913793 -0.3474576 0.6018143), wk = 0.0036101 k( 59) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036101 k( 60) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036101 k( 61) = ( 0.4878049 -0.3449301 0.6123724), wk = 0.0036101 k( 62) = ( 0.4756098 -0.3363069 0.6123724), wk = 0.0036101 k( 63) = ( 0.4634146 -0.3276836 0.6123724), wk = 0.0036101 k( 64) = ( 0.4512195 -0.3190604 0.6123724), wk = 0.0036101 k( 65) = ( 0.4390244 -0.3104371 0.6123724), wk = 0.0036101 k( 66) = ( 0.4268293 -0.3018139 0.6123724), wk = 0.0036101 k( 67) = ( 0.4146341 -0.2931906 0.6123724), wk = 0.0036101 k( 68) = ( 0.4024390 -0.2845674 0.6123724), wk = 0.0036101 k( 69) = ( 0.3902439 -0.2759441 0.6123724), wk = 0.0036101 k( 70) = ( 0.3780488 -0.2673209 0.6123724), wk = 0.0036101 k( 71) = ( 0.3658537 -0.2586976 0.6123724), wk = 0.0036101 k( 72) = ( 0.3536585 -0.2500744 0.6123724), wk = 0.0036101 k( 73) = ( 0.3414634 -0.2414511 0.6123724), wk = 0.0036101 k( 74) = ( 0.3292683 -0.2328278 0.6123724), wk = 0.0036101 k( 75) = ( 0.3170732 -0.2242046 0.6123724), wk = 0.0036101 k( 76) = ( 0.3048781 -0.2155813 0.6123724), wk = 0.0036101 k( 77) = ( 0.2926829 -0.2069581 0.6123724), wk = 0.0036101 k( 78) = ( 0.2804878 -0.1983348 0.6123724), wk = 0.0036101 k( 79) = ( 0.2682927 -0.1897116 0.6123724), wk = 0.0036101 k( 80) = ( 0.2560976 -0.1810883 0.6123724), wk = 0.0036101 k( 81) = ( 0.2439024 -0.1724651 0.6123724), wk = 0.0036101 k( 82) = ( 0.2317073 -0.1638418 0.6123724), wk = 0.0036101 k( 83) = ( 0.2195122 -0.1552186 0.6123724), wk = 0.0036101 k( 84) = ( 0.2073171 -0.1465953 0.6123724), wk = 0.0036101 k( 85) = ( 0.1951219 -0.1379721 0.6123724), wk = 0.0036101 k( 86) = ( 0.1829268 -0.1293488 0.6123724), wk = 0.0036101 k( 87) = ( 0.1707317 -0.1207255 0.6123724), wk = 0.0036101 k( 88) = ( 0.1585366 -0.1121023 0.6123724), wk = 0.0036101 k( 89) = ( 0.1463415 -0.1034790 0.6123724), wk = 0.0036101 k( 90) = ( 0.1341463 -0.0948558 0.6123724), wk = 0.0036101 k( 91) = ( 0.1219512 -0.0862325 0.6123724), wk = 0.0036101 k( 92) = ( 0.1097561 -0.0776093 0.6123724), wk = 0.0036101 k( 93) = ( 0.0975610 -0.0689860 0.6123724), wk = 0.0036101 k( 94) = ( 0.0853658 -0.0603628 0.6123724), wk = 0.0036101 k( 95) = ( 0.0731707 -0.0517395 0.6123724), wk = 0.0036101 k( 96) = ( 0.0609756 -0.0431163 0.6123724), wk = 0.0036101 k( 97) = ( 0.0487805 -0.0344930 0.6123724), wk = 0.0036101 k( 98) = ( 0.0365854 -0.0258698 0.6123724), wk = 0.0036101 k( 99) = ( 0.0243902 -0.0172465 0.6123724), wk = 0.0036101 k( 100) = ( 0.0121951 -0.0086233 0.6123724), wk = 0.0036101 k( 101) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036101 k( 102) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036101 k( 103) = ( 0.0000000 0.0000000 0.5974365), wk = 0.0036101 k( 104) = ( 0.0000000 0.0000000 0.5825006), wk = 0.0036101 k( 105) = ( 0.0000000 0.0000000 0.5675647), wk = 0.0036101 k( 106) = ( 0.0000000 0.0000000 0.5526288), wk = 0.0036101 k( 107) = ( 0.0000000 0.0000000 0.5376929), wk = 0.0036101 k( 108) = ( 0.0000000 0.0000000 0.5227570), wk = 0.0036101 k( 109) = ( 0.0000000 0.0000000 0.5078210), wk = 0.0036101 k( 110) = ( 0.0000000 0.0000000 0.4928851), wk = 0.0036101 k( 111) = ( 0.0000000 0.0000000 0.4779492), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.4630133), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.4480774), wk = 0.0036101 k( 114) = ( 0.0000000 0.0000000 0.4331415), wk = 0.0036101 k( 115) = ( 0.0000000 0.0000000 0.4182056), wk = 0.0036101 k( 116) = ( 0.0000000 0.0000000 0.4032696), wk = 0.0036101 k( 117) = ( 0.0000000 0.0000000 0.3883337), wk = 0.0036101 k( 118) = ( 0.0000000 0.0000000 0.3733978), wk = 0.0036101 k( 119) = ( 0.0000000 0.0000000 0.3584619), wk = 0.0036101 k( 120) = ( 0.0000000 0.0000000 0.3435260), wk = 0.0036101 k( 121) = ( 0.0000000 0.0000000 0.3285901), wk = 0.0036101 k( 122) = ( 0.0000000 0.0000000 0.3136542), wk = 0.0036101 k( 123) = ( 0.0000000 0.0000000 0.2987183), wk = 0.0036101 k( 124) = ( 0.0000000 0.0000000 0.2837824), wk = 0.0036101 k( 125) = ( 0.0000000 0.0000000 0.2688464), wk = 0.0036101 k( 126) = ( 0.0000000 0.0000000 0.2539105), wk = 0.0036101 k( 127) = ( 0.0000000 0.0000000 0.2389746), wk = 0.0036101 k( 128) = ( 0.0000000 0.0000000 0.2240387), wk = 0.0036101 k( 129) = ( 0.0000000 0.0000000 0.2091028), wk = 0.0036101 k( 130) = ( 0.0000000 0.0000000 0.1941669), wk = 0.0036101 k( 131) = ( 0.0000000 0.0000000 0.1792310), wk = 0.0036101 k( 132) = ( 0.0000000 0.0000000 0.1642950), wk = 0.0036101 k( 133) = ( 0.0000000 0.0000000 0.1493591), wk = 0.0036101 k( 134) = ( 0.0000000 0.0000000 0.1344232), wk = 0.0036101 k( 135) = ( 0.0000000 0.0000000 0.1194873), wk = 0.0036101 k( 136) = ( 0.0000000 0.0000000 0.1045514), wk = 0.0036101 k( 137) = ( 0.0000000 0.0000000 0.0896155), wk = 0.0036101 k( 138) = ( 0.0000000 0.0000000 0.0746796), wk = 0.0036101 k( 139) = ( 0.0000000 0.0000000 0.0597437), wk = 0.0036101 k( 140) = ( 0.0000000 0.0000000 0.0448077), wk = 0.0036101 k( 141) = ( 0.0000000 0.0000000 0.0298718), wk = 0.0036101 k( 142) = ( 0.0000000 0.0000000 0.0149359), wk = 0.0036101 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 145) = ( 0.0049020 0.0069324 0.0120073), wk = 0.0036101 k( 146) = ( 0.0098039 0.0138648 0.0240146), wk = 0.0036101 k( 147) = ( 0.0147059 0.0207973 0.0360219), wk = 0.0036101 k( 148) = ( 0.0196078 0.0277297 0.0480292), wk = 0.0036101 k( 149) = ( 0.0245098 0.0346621 0.0600365), wk = 0.0036101 k( 150) = ( 0.0294118 0.0415945 0.0720438), wk = 0.0036101 k( 151) = ( 0.0343137 0.0485269 0.0840511), wk = 0.0036101 k( 152) = ( 0.0392157 0.0554594 0.0960584), wk = 0.0036101 k( 153) = ( 0.0441177 0.0623918 0.1080657), wk = 0.0036101 k( 154) = ( 0.0490196 0.0693242 0.1200730), wk = 0.0036101 k( 155) = ( 0.0539216 0.0762566 0.1320803), wk = 0.0036101 k( 156) = ( 0.0588235 0.0831890 0.1440876), wk = 0.0036101 k( 157) = ( 0.0637255 0.0901215 0.1560949), wk = 0.0036101 k( 158) = ( 0.0686275 0.0970539 0.1681022), wk = 0.0036101 k( 159) = ( 0.0735294 0.1039863 0.1801095), wk = 0.0036101 k( 160) = ( 0.0784314 0.1109187 0.1921168), wk = 0.0036101 k( 161) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0036101 k( 162) = ( 0.0882353 0.1247835 0.2161314), wk = 0.0036101 k( 163) = ( 0.0931373 0.1317160 0.2281387), wk = 0.0036101 k( 164) = ( 0.0980392 0.1386484 0.2401461), wk = 0.0036101 k( 165) = ( 0.1029412 0.1455808 0.2521534), wk = 0.0036101 k( 166) = ( 0.1078431 0.1525132 0.2641607), wk = 0.0036101 k( 167) = ( 0.1127451 0.1594456 0.2761680), wk = 0.0036101 k( 168) = ( 0.1176471 0.1663781 0.2881753), wk = 0.0036101 k( 169) = ( 0.1225490 0.1733105 0.3001826), wk = 0.0036101 k( 170) = ( 0.1274510 0.1802429 0.3121899), wk = 0.0036101 k( 171) = ( 0.1323529 0.1871753 0.3241972), wk = 0.0036101 k( 172) = ( 0.1372549 0.1941077 0.3362045), wk = 0.0036101 k( 173) = ( 0.1421569 0.2010402 0.3482118), wk = 0.0036101 k( 174) = ( 0.1470588 0.2079726 0.3602191), wk = 0.0036101 k( 175) = ( 0.1519608 0.2149050 0.3722264), wk = 0.0036101 k( 176) = ( 0.1568627 0.2218374 0.3842337), wk = 0.0036101 k( 177) = ( 0.1617647 0.2287698 0.3962410), wk = 0.0036101 k( 178) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0036101 k( 179) = ( 0.1715686 0.2426347 0.4202556), wk = 0.0036101 k( 180) = ( 0.1764706 0.2495671 0.4322629), wk = 0.0036101 k( 181) = ( 0.1813725 0.2564995 0.4442702), wk = 0.0036101 k( 182) = ( 0.1862745 0.2634319 0.4562775), wk = 0.0036101 k( 183) = ( 0.1911765 0.2703644 0.4682848), wk = 0.0036101 k( 184) = ( 0.1960784 0.2772968 0.4802921), wk = 0.0036101 k( 185) = ( 0.2009804 0.2842292 0.4922994), wk = 0.0036101 k( 186) = ( 0.2058823 0.2911616 0.5043067), wk = 0.0036101 k( 187) = ( 0.2107843 0.2980940 0.5163140), wk = 0.0036101 k( 188) = ( 0.2156863 0.3050264 0.5283213), wk = 0.0036101 k( 189) = ( 0.2205882 0.3119589 0.5403286), wk = 0.0036101 k( 190) = ( 0.2254902 0.3188913 0.5523359), wk = 0.0036101 k( 191) = ( 0.2303922 0.3258237 0.5643432), wk = 0.0036101 k( 192) = ( 0.2352941 0.3327561 0.5763505), wk = 0.0036101 k( 193) = ( 0.2401961 0.3396886 0.5883578), wk = 0.0036101 k( 194) = ( 0.2450980 0.3466210 0.6003651), wk = 0.0036101 k( 195) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036101 k( 196) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036101 k( 197) = ( 0.2549020 0.3396886 0.6123724), wk = 0.0036101 k( 198) = ( 0.2598039 0.3258237 0.6123724), wk = 0.0036101 k( 199) = ( 0.2647059 0.3119589 0.6123724), wk = 0.0036101 k( 200) = ( 0.2696078 0.2980940 0.6123724), wk = 0.0036101 k( 201) = ( 0.2745098 0.2842292 0.6123724), wk = 0.0036101 k( 202) = ( 0.2794118 0.2703644 0.6123724), wk = 0.0036101 k( 203) = ( 0.2843137 0.2564995 0.6123724), wk = 0.0036101 k( 204) = ( 0.2892157 0.2426347 0.6123724), wk = 0.0036101 k( 205) = ( 0.2941177 0.2287698 0.6123724), wk = 0.0036101 k( 206) = ( 0.2990196 0.2149050 0.6123724), wk = 0.0036101 k( 207) = ( 0.3039216 0.2010402 0.6123724), wk = 0.0036101 k( 208) = ( 0.3088235 0.1871753 0.6123724), wk = 0.0036101 k( 209) = ( 0.3137255 0.1733105 0.6123724), wk = 0.0036101 k( 210) = ( 0.3186274 0.1594456 0.6123724), wk = 0.0036101 k( 211) = ( 0.3235294 0.1455808 0.6123724), wk = 0.0036101 k( 212) = ( 0.3284314 0.1317160 0.6123724), wk = 0.0036101 k( 213) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0036101 k( 214) = ( 0.3382353 0.1039863 0.6123724), wk = 0.0036101 k( 215) = ( 0.3431373 0.0901215 0.6123724), wk = 0.0036101 k( 216) = ( 0.3480392 0.0762566 0.6123724), wk = 0.0036101 k( 217) = ( 0.3529412 0.0623918 0.6123724), wk = 0.0036101 k( 218) = ( 0.3578431 0.0485269 0.6123724), wk = 0.0036101 k( 219) = ( 0.3627451 0.0346621 0.6123724), wk = 0.0036101 k( 220) = ( 0.3676471 0.0207973 0.6123724), wk = 0.0036101 k( 221) = ( 0.3725490 0.0069324 0.6123724), wk = 0.0036101 k( 222) = ( 0.3774510 -0.0069324 0.6123724), wk = 0.0036101 k( 223) = ( 0.3823529 -0.0207973 0.6123724), wk = 0.0036101 k( 224) = ( 0.3872549 -0.0346621 0.6123724), wk = 0.0036101 k( 225) = ( 0.3921569 -0.0485269 0.6123724), wk = 0.0036101 k( 226) = ( 0.3970588 -0.0623918 0.6123724), wk = 0.0036101 k( 227) = ( 0.4019608 -0.0762566 0.6123724), wk = 0.0036101 k( 228) = ( 0.4068627 -0.0901215 0.6123724), wk = 0.0036101 k( 229) = ( 0.4117647 -0.1039863 0.6123724), wk = 0.0036101 k( 230) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0036101 k( 231) = ( 0.4215686 -0.1317160 0.6123724), wk = 0.0036101 k( 232) = ( 0.4264706 -0.1455808 0.6123724), wk = 0.0036101 k( 233) = ( 0.4313726 -0.1594456 0.6123724), wk = 0.0036101 k( 234) = ( 0.4362745 -0.1733105 0.6123724), wk = 0.0036101 k( 235) = ( 0.4411765 -0.1871753 0.6123724), wk = 0.0036101 k( 236) = ( 0.4460784 -0.2010402 0.6123724), wk = 0.0036101 k( 237) = ( 0.4509804 -0.2149050 0.6123724), wk = 0.0036101 k( 238) = ( 0.4558823 -0.2287698 0.6123724), wk = 0.0036101 k( 239) = ( 0.4607843 -0.2426347 0.6123724), wk = 0.0036101 k( 240) = ( 0.4656863 -0.2564995 0.6123724), wk = 0.0036101 k( 241) = ( 0.4705882 -0.2703644 0.6123724), wk = 0.0036101 k( 242) = ( 0.4754902 -0.2842292 0.6123724), wk = 0.0036101 k( 243) = ( 0.4803922 -0.2980940 0.6123724), wk = 0.0036101 k( 244) = ( 0.4852941 -0.3119589 0.6123724), wk = 0.0036101 k( 245) = ( 0.4901961 -0.3258237 0.6123724), wk = 0.0036101 k( 246) = ( 0.4950980 -0.3396886 0.6123724), wk = 0.0036101 k( 247) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0036101 k( 248) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0036101 k( 249) = ( 0.2413793 0.3413619 0.6123724), wk = 0.0036101 k( 250) = ( 0.2327586 0.3291704 0.6123724), wk = 0.0036101 k( 251) = ( 0.2241379 0.3169789 0.6123724), wk = 0.0036101 k( 252) = ( 0.2155172 0.3047874 0.6123724), wk = 0.0036101 k( 253) = ( 0.2068966 0.2925959 0.6123724), wk = 0.0036101 k( 254) = ( 0.1982759 0.2804044 0.6123724), wk = 0.0036101 k( 255) = ( 0.1896552 0.2682129 0.6123724), wk = 0.0036101 k( 256) = ( 0.1810345 0.2560214 0.6123724), wk = 0.0036101 k( 257) = ( 0.1724138 0.2438299 0.6123724), wk = 0.0036101 k( 258) = ( 0.1637931 0.2316384 0.6123724), wk = 0.0036101 k( 259) = ( 0.1551724 0.2194469 0.6123724), wk = 0.0036101 k( 260) = ( 0.1465517 0.2072554 0.6123724), wk = 0.0036101 k( 261) = ( 0.1379310 0.1950639 0.6123724), wk = 0.0036101 k( 262) = ( 0.1293103 0.1828724 0.6123724), wk = 0.0036101 k( 263) = ( 0.1206897 0.1706810 0.6123724), wk = 0.0036101 k( 264) = ( 0.1120690 0.1584895 0.6123724), wk = 0.0036101 k( 265) = ( 0.1034483 0.1462980 0.6123724), wk = 0.0036101 k( 266) = ( 0.0948276 0.1341065 0.6123724), wk = 0.0036101 k( 267) = ( 0.0862069 0.1219150 0.6123724), wk = 0.0036101 k( 268) = ( 0.0775862 0.1097235 0.6123724), wk = 0.0036101 k( 269) = ( 0.0689655 0.0975320 0.6123724), wk = 0.0036101 k( 270) = ( 0.0603448 0.0853405 0.6123724), wk = 0.0036101 k( 271) = ( 0.0517241 0.0731490 0.6123724), wk = 0.0036101 k( 272) = ( 0.0431035 0.0609575 0.6123724), wk = 0.0036101 k( 273) = ( 0.0344828 0.0487660 0.6123724), wk = 0.0036101 k( 274) = ( 0.0258621 0.0365745 0.6123724), wk = 0.0036101 k( 275) = ( 0.0172414 0.0243830 0.6123724), wk = 0.0036101 k( 276) = ( 0.0086207 0.0121915 0.6123724), wk = 0.0036101 k( 277) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0086207 -0.0086207 0.0086207), wk = 0.0036101 k( 3) = ( 0.0172414 -0.0172414 0.0172414), wk = 0.0036101 k( 4) = ( 0.0258621 -0.0258621 0.0258621), wk = 0.0036101 k( 5) = ( 0.0344828 -0.0344828 0.0344828), wk = 0.0036101 k( 6) = ( 0.0431035 -0.0431035 0.0431035), wk = 0.0036101 k( 7) = ( 0.0517241 -0.0517241 0.0517241), wk = 0.0036101 k( 8) = ( 0.0603448 -0.0603448 0.0603448), wk = 0.0036101 k( 9) = ( 0.0689655 -0.0689655 0.0689655), wk = 0.0036101 k( 10) = ( 0.0775862 -0.0775862 0.0775862), wk = 0.0036101 k( 11) = ( 0.0862069 -0.0862069 0.0862069), wk = 0.0036101 k( 12) = ( 0.0948276 -0.0948276 0.0948276), wk = 0.0036101 k( 13) = ( 0.1034483 -0.1034483 0.1034483), wk = 0.0036101 k( 14) = ( 0.1120690 -0.1120690 0.1120690), wk = 0.0036101 k( 15) = ( 0.1206897 -0.1206897 0.1206897), wk = 0.0036101 k( 16) = ( 0.1293103 -0.1293103 0.1293103), wk = 0.0036101 k( 17) = ( 0.1379310 -0.1379310 0.1379310), wk = 0.0036101 k( 18) = ( 0.1465517 -0.1465517 0.1465517), wk = 0.0036101 k( 19) = ( 0.1551724 -0.1551724 0.1551724), wk = 0.0036101 k( 20) = ( 0.1637931 -0.1637931 0.1637931), wk = 0.0036101 k( 21) = ( 0.1724138 -0.1724138 0.1724138), wk = 0.0036101 k( 22) = ( 0.1810345 -0.1810345 0.1810345), wk = 0.0036101 k( 23) = ( 0.1896552 -0.1896552 0.1896552), wk = 0.0036101 k( 24) = ( 0.1982759 -0.1982759 0.1982759), wk = 0.0036101 k( 25) = ( 0.2068966 -0.2068966 0.2068966), wk = 0.0036101 k( 26) = ( 0.2155172 -0.2155172 0.2155172), wk = 0.0036101 k( 27) = ( 0.2241379 -0.2241379 0.2241379), wk = 0.0036101 k( 28) = ( 0.2327586 -0.2327586 0.2327586), wk = 0.0036101 k( 29) = ( 0.2413793 -0.2413793 0.2413793), wk = 0.0036101 k( 30) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0036101 k( 31) = ( 0.2586207 -0.2586207 0.2586207), wk = 0.0036101 k( 32) = ( 0.2672414 -0.2672414 0.2672414), wk = 0.0036101 k( 33) = ( 0.2758621 -0.2758621 0.2758621), wk = 0.0036101 k( 34) = ( 0.2844828 -0.2844828 0.2844828), wk = 0.0036101 k( 35) = ( 0.2931034 -0.2931035 0.2931035), wk = 0.0036101 k( 36) = ( 0.3017241 -0.3017241 0.3017241), wk = 0.0036101 k( 37) = ( 0.3103448 -0.3103448 0.3103448), wk = 0.0036101 k( 38) = ( 0.3189655 -0.3189655 0.3189655), wk = 0.0036101 k( 39) = ( 0.3275862 -0.3275862 0.3275862), wk = 0.0036101 k( 40) = ( 0.3362069 -0.3362069 0.3362069), wk = 0.0036101 k( 41) = ( 0.3448276 -0.3448276 0.3448276), wk = 0.0036101 k( 42) = ( 0.3534483 -0.3534483 0.3534483), wk = 0.0036101 k( 43) = ( 0.3620690 -0.3620690 0.3620690), wk = 0.0036101 k( 44) = ( 0.3706897 -0.3706897 0.3706897), wk = 0.0036101 k( 45) = ( 0.3793103 -0.3793103 0.3793103), wk = 0.0036101 k( 46) = ( 0.3879310 -0.3879310 0.3879310), wk = 0.0036101 k( 47) = ( 0.3965517 -0.3965517 0.3965517), wk = 0.0036101 k( 48) = ( 0.4051724 -0.4051724 0.4051724), wk = 0.0036101 k( 49) = ( 0.4137931 -0.4137931 0.4137931), wk = 0.0036101 k( 50) = ( 0.4224138 -0.4224138 0.4224138), wk = 0.0036101 k( 51) = ( 0.4310345 -0.4310345 0.4310345), wk = 0.0036101 k( 52) = ( 0.4396552 -0.4396552 0.4396552), wk = 0.0036101 k( 53) = ( 0.4482759 -0.4482759 0.4482759), wk = 0.0036101 k( 54) = ( 0.4568966 -0.4568966 0.4568966), wk = 0.0036101 k( 55) = ( 0.4655172 -0.4655172 0.4655172), wk = 0.0036101 k( 56) = ( 0.4741379 -0.4741379 0.4741379), wk = 0.0036101 k( 57) = ( 0.4827586 -0.4827586 0.4827586), wk = 0.0036101 k( 58) = ( 0.4913793 -0.4913793 0.4913793), wk = 0.0036101 k( 59) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036101 k( 60) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036101 k( 61) = ( 0.4878049 -0.4878049 0.5000000), wk = 0.0036101 k( 62) = ( 0.4756098 -0.4756098 0.5000000), wk = 0.0036101 k( 63) = ( 0.4634146 -0.4634146 0.5000000), wk = 0.0036101 k( 64) = ( 0.4512195 -0.4512195 0.5000000), wk = 0.0036101 k( 65) = ( 0.4390244 -0.4390244 0.5000000), wk = 0.0036101 k( 66) = ( 0.4268293 -0.4268293 0.5000000), wk = 0.0036101 k( 67) = ( 0.4146341 -0.4146341 0.5000000), wk = 0.0036101 k( 68) = ( 0.4024390 -0.4024390 0.5000000), wk = 0.0036101 k( 69) = ( 0.3902439 -0.3902439 0.5000000), wk = 0.0036101 k( 70) = ( 0.3780488 -0.3780488 0.5000000), wk = 0.0036101 k( 71) = ( 0.3658537 -0.3658537 0.5000000), wk = 0.0036101 k( 72) = ( 0.3536585 -0.3536585 0.5000000), wk = 0.0036101 k( 73) = ( 0.3414634 -0.3414634 0.5000000), wk = 0.0036101 k( 74) = ( 0.3292683 -0.3292683 0.5000000), wk = 0.0036101 k( 75) = ( 0.3170732 -0.3170732 0.5000000), wk = 0.0036101 k( 76) = ( 0.3048781 -0.3048781 0.5000000), wk = 0.0036101 k( 77) = ( 0.2926829 -0.2926829 0.5000000), wk = 0.0036101 k( 78) = ( 0.2804878 -0.2804878 0.5000000), wk = 0.0036101 k( 79) = ( 0.2682927 -0.2682927 0.5000000), wk = 0.0036101 k( 80) = ( 0.2560976 -0.2560976 0.5000000), wk = 0.0036101 k( 81) = ( 0.2439024 -0.2439024 0.5000000), wk = 0.0036101 k( 82) = ( 0.2317073 -0.2317073 0.5000000), wk = 0.0036101 k( 83) = ( 0.2195122 -0.2195122 0.5000000), wk = 0.0036101 k( 84) = ( 0.2073171 -0.2073171 0.5000000), wk = 0.0036101 k( 85) = ( 0.1951219 -0.1951219 0.5000000), wk = 0.0036101 k( 86) = ( 0.1829268 -0.1829268 0.5000000), wk = 0.0036101 k( 87) = ( 0.1707317 -0.1707317 0.5000000), wk = 0.0036101 k( 88) = ( 0.1585366 -0.1585366 0.5000000), wk = 0.0036101 k( 89) = ( 0.1463415 -0.1463415 0.5000000), wk = 0.0036101 k( 90) = ( 0.1341463 -0.1341463 0.5000000), wk = 0.0036101 k( 91) = ( 0.1219512 -0.1219512 0.5000000), wk = 0.0036101 k( 92) = ( 0.1097561 -0.1097561 0.5000000), wk = 0.0036101 k( 93) = ( 0.0975610 -0.0975610 0.5000000), wk = 0.0036101 k( 94) = ( 0.0853658 -0.0853658 0.5000000), wk = 0.0036101 k( 95) = ( 0.0731707 -0.0731707 0.5000000), wk = 0.0036101 k( 96) = ( 0.0609756 -0.0609756 0.5000000), wk = 0.0036101 k( 97) = ( 0.0487805 -0.0487805 0.5000000), wk = 0.0036101 k( 98) = ( 0.0365854 -0.0365854 0.5000000), wk = 0.0036101 k( 99) = ( 0.0243902 -0.0243902 0.5000000), wk = 0.0036101 k( 100) = ( 0.0121951 -0.0121951 0.5000000), wk = 0.0036101 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 103) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0036101 k( 104) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0036101 k( 105) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0036101 k( 106) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0036101 k( 107) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0036101 k( 108) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0036101 k( 109) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0036101 k( 110) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0036101 k( 111) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0036101 k( 112) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0036101 k( 113) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0036101 k( 114) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0036101 k( 115) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0036101 k( 116) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0036101 k( 117) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0036101 k( 118) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0036101 k( 119) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0036101 k( 120) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0036101 k( 121) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0036101 k( 122) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0036101 k( 123) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0036101 k( 124) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0036101 k( 125) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0036101 k( 126) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0036101 k( 127) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0036101 k( 128) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0036101 k( 129) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0036101 k( 130) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0036101 k( 131) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0036101 k( 132) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0036101 k( 133) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0036101 k( 134) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0036101 k( 135) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0036101 k( 136) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0036101 k( 137) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0036101 k( 138) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0036101 k( 139) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0036101 k( 140) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0036101 k( 141) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0036101 k( 142) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0036101 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 145) = ( 0.0049020 0.0049020 0.0049020), wk = 0.0036101 k( 146) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0036101 k( 147) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0036101 k( 148) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0036101 k( 149) = ( 0.0245098 0.0245098 0.0245098), wk = 0.0036101 k( 150) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0036101 k( 151) = ( 0.0343137 0.0343137 0.0343137), wk = 0.0036101 k( 152) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0036101 k( 153) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0036101 k( 154) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0036101 k( 155) = ( 0.0539216 0.0539216 0.0539216), wk = 0.0036101 k( 156) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0036101 k( 157) = ( 0.0637255 0.0637255 0.0637255), wk = 0.0036101 k( 158) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0036101 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0036101 k( 160) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0036101 k( 161) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0036101 k( 162) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0036101 k( 163) = ( 0.0931373 0.0931373 0.0931373), wk = 0.0036101 k( 164) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0036101 k( 165) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0036101 k( 166) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0036101 k( 167) = ( 0.1127451 0.1127451 0.1127451), wk = 0.0036101 k( 168) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0036101 k( 169) = ( 0.1225490 0.1225490 0.1225490), wk = 0.0036101 k( 170) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0036101 k( 171) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0036101 k( 172) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0036101 k( 173) = ( 0.1421569 0.1421569 0.1421569), wk = 0.0036101 k( 174) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0036101 k( 175) = ( 0.1519608 0.1519608 0.1519608), wk = 0.0036101 k( 176) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0036101 k( 177) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0036101 k( 178) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036101 k( 179) = ( 0.1715686 0.1715686 0.1715686), wk = 0.0036101 k( 180) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0036101 k( 181) = ( 0.1813725 0.1813725 0.1813726), wk = 0.0036101 k( 182) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0036101 k( 183) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0036101 k( 184) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0036101 k( 185) = ( 0.2009804 0.2009804 0.2009804), wk = 0.0036101 k( 186) = ( 0.2058823 0.2058824 0.2058824), wk = 0.0036101 k( 187) = ( 0.2107843 0.2107843 0.2107843), wk = 0.0036101 k( 188) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0036101 k( 189) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0036101 k( 190) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0036101 k( 191) = ( 0.2303922 0.2303922 0.2303922), wk = 0.0036101 k( 192) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0036101 k( 193) = ( 0.2401961 0.2401961 0.2401961), wk = 0.0036101 k( 194) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0036101 k( 195) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 197) = ( 0.2549020 0.2352941 0.2549020), wk = 0.0036101 k( 198) = ( 0.2598039 0.2205882 0.2598039), wk = 0.0036101 k( 199) = ( 0.2647059 0.2058824 0.2647059), wk = 0.0036101 k( 200) = ( 0.2696078 0.1911765 0.2696078), wk = 0.0036101 k( 201) = ( 0.2745098 0.1764706 0.2745098), wk = 0.0036101 k( 202) = ( 0.2794118 0.1617647 0.2794118), wk = 0.0036101 k( 203) = ( 0.2843137 0.1470588 0.2843137), wk = 0.0036101 k( 204) = ( 0.2892157 0.1323529 0.2892157), wk = 0.0036101 k( 205) = ( 0.2941177 0.1176471 0.2941176), wk = 0.0036101 k( 206) = ( 0.2990196 0.1029412 0.2990196), wk = 0.0036101 k( 207) = ( 0.3039216 0.0882353 0.3039216), wk = 0.0036101 k( 208) = ( 0.3088235 0.0735294 0.3088235), wk = 0.0036101 k( 209) = ( 0.3137255 0.0588235 0.3137255), wk = 0.0036101 k( 210) = ( 0.3186274 0.0441177 0.3186275), wk = 0.0036101 k( 211) = ( 0.3235294 0.0294118 0.3235294), wk = 0.0036101 k( 212) = ( 0.3284314 0.0147059 0.3284314), wk = 0.0036101 k( 213) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0036101 k( 214) = ( 0.3382353 -0.0147059 0.3382353), wk = 0.0036101 k( 215) = ( 0.3431373 -0.0294118 0.3431373), wk = 0.0036101 k( 216) = ( 0.3480392 -0.0441176 0.3480392), wk = 0.0036101 k( 217) = ( 0.3529412 -0.0588235 0.3529412), wk = 0.0036101 k( 218) = ( 0.3578431 -0.0735294 0.3578431), wk = 0.0036101 k( 219) = ( 0.3627451 -0.0882353 0.3627451), wk = 0.0036101 k( 220) = ( 0.3676471 -0.1029412 0.3676471), wk = 0.0036101 k( 221) = ( 0.3725490 -0.1176471 0.3725490), wk = 0.0036101 k( 222) = ( 0.3774510 -0.1323529 0.3774510), wk = 0.0036101 k( 223) = ( 0.3823529 -0.1470588 0.3823529), wk = 0.0036101 k( 224) = ( 0.3872549 -0.1617647 0.3872549), wk = 0.0036101 k( 225) = ( 0.3921569 -0.1764706 0.3921569), wk = 0.0036101 k( 226) = ( 0.3970588 -0.1911765 0.3970588), wk = 0.0036101 k( 227) = ( 0.4019608 -0.2058823 0.4019608), wk = 0.0036101 k( 228) = ( 0.4068627 -0.2205882 0.4068628), wk = 0.0036101 k( 229) = ( 0.4117647 -0.2352941 0.4117647), wk = 0.0036101 k( 230) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0036101 k( 231) = ( 0.4215686 -0.2647059 0.4215686), wk = 0.0036101 k( 232) = ( 0.4264706 -0.2794118 0.4264706), wk = 0.0036101 k( 233) = ( 0.4313726 -0.2941177 0.4313726), wk = 0.0036101 k( 234) = ( 0.4362745 -0.3088235 0.4362745), wk = 0.0036101 k( 235) = ( 0.4411765 -0.3235294 0.4411765), wk = 0.0036101 k( 236) = ( 0.4460784 -0.3382353 0.4460784), wk = 0.0036101 k( 237) = ( 0.4509804 -0.3529412 0.4509804), wk = 0.0036101 k( 238) = ( 0.4558823 -0.3676471 0.4558824), wk = 0.0036101 k( 239) = ( 0.4607843 -0.3823529 0.4607843), wk = 0.0036101 k( 240) = ( 0.4656863 -0.3970588 0.4656863), wk = 0.0036101 k( 241) = ( 0.4705882 -0.4117647 0.4705882), wk = 0.0036101 k( 242) = ( 0.4754902 -0.4264706 0.4754902), wk = 0.0036101 k( 243) = ( 0.4803922 -0.4411765 0.4803922), wk = 0.0036101 k( 244) = ( 0.4852941 -0.4558824 0.4852941), wk = 0.0036101 k( 245) = ( 0.4901961 -0.4705882 0.4901961), wk = 0.0036101 k( 246) = ( 0.4950980 -0.4852941 0.4950980), wk = 0.0036101 k( 247) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0036101 k( 248) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 249) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0036101 k( 250) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0036101 k( 251) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0036101 k( 252) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0036101 k( 253) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0036101 k( 254) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0036101 k( 255) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0036101 k( 256) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0036101 k( 257) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0036101 k( 258) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0036101 k( 259) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0036101 k( 260) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0036101 k( 261) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0036101 k( 262) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0036101 k( 263) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0036101 k( 264) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0036101 k( 265) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0036101 k( 266) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0036101 k( 267) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0036101 k( 268) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0036101 k( 269) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0036101 k( 270) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0036101 k( 271) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0036101 k( 272) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0036101 k( 273) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0036101 k( 274) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0036101 k( 275) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0036101 k( 276) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0036101 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 Dense grid: 51173 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 25651 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 138, 40) NL pseudopotentials 0.07 Mb ( 69, 70) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1067) G-vector shells 0.00 Mb ( 269) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 138, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.09 Mb ( 70, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SiF4.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.3 secs Computing kpt #: 2 total cpu time spent up to now is 39.1 secs Computing kpt #: 3 total cpu time spent up to now is 39.8 secs Computing kpt #: 4 total cpu time spent up to now is 40.7 secs Computing kpt #: 5 total cpu time spent up to now is 41.4 secs Computing kpt #: 6 total cpu time spent up to now is 42.2 secs Computing kpt #: 7 total cpu time spent up to now is 43.0 secs Computing kpt #: 8 total cpu time spent up to now is 43.8 secs Computing kpt #: 9 total cpu time spent up to now is 44.6 secs Computing kpt #: 10 total cpu time spent up to now is 45.5 secs Computing kpt #: 11 total cpu time spent up to now is 46.2 secs Computing kpt #: 12 total cpu time spent up to now is 47.0 secs Computing kpt #: 13 total cpu time spent up to now is 47.8 secs Computing kpt #: 14 total cpu time spent up to now is 48.7 secs Computing kpt #: 15 total cpu time spent up to now is 49.5 secs Computing kpt #: 16 total cpu time spent up to now is 50.4 secs Computing kpt #: 17 total cpu time spent up to now is 51.2 secs Computing kpt #: 18 total cpu time spent up to now is 51.9 secs Computing kpt #: 19 total cpu time spent up to now is 52.7 secs Computing kpt #: 20 total cpu time spent up to now is 53.5 secs Computing kpt #: 21 total cpu time spent up to now is 54.2 secs Computing kpt #: 22 total cpu time spent up to now is 55.0 secs Computing kpt #: 23 total cpu time spent up to now is 55.8 secs Computing kpt #: 24 total cpu time spent up to now is 56.6 secs Computing kpt #: 25 total cpu time spent up to now is 57.3 secs Computing kpt #: 26 total cpu time spent up to now is 58.0 secs Computing kpt #: 27 total cpu time spent up to now is 58.8 secs Computing kpt #: 28 total cpu time spent up to now is 59.5 secs Computing kpt #: 29 total cpu time spent up to now is 60.2 secs Computing kpt #: 30 total cpu time spent up to now is 61.0 secs Computing kpt #: 31 total cpu time spent up to now is 61.7 secs Computing kpt #: 32 total cpu time spent up to now is 62.5 secs Computing kpt #: 33 total cpu time spent up to now is 63.2 secs Computing kpt #: 34 total cpu time spent up to now is 63.9 secs Computing kpt #: 35 total cpu time spent up to now is 64.6 secs Computing kpt #: 36 total cpu time spent up to now is 65.3 secs Computing kpt #: 37 total cpu time spent up to now is 66.1 secs Computing kpt #: 38 total cpu time spent up to now is 66.8 secs Computing kpt #: 39 total cpu time spent up to now is 67.6 secs Computing kpt #: 40 total cpu time spent up to now is 68.2 secs Computing kpt #: 41 total cpu time spent up to now is 68.9 secs Computing kpt #: 42 total cpu time spent up to now is 69.7 secs Computing kpt #: 43 total cpu time spent up to now is 70.5 secs Computing kpt #: 44 total cpu time spent up to now is 71.3 secs Computing kpt #: 45 total cpu time spent up to now is 72.1 secs Computing kpt #: 46 total cpu time spent up to now is 73.3 secs Computing kpt #: 47 total cpu time spent up to now is 74.3 secs Computing kpt #: 48 total cpu time spent up to now is 75.1 secs Computing kpt #: 49 total cpu time spent up to now is 76.1 secs Computing kpt #: 50 total cpu time spent up to now is 76.9 secs Computing kpt #: 51 total cpu time spent up to now is 77.6 secs Computing kpt #: 52 total cpu time spent up to now is 78.2 secs Computing kpt #: 53 total cpu time spent up to now is 78.9 secs Computing kpt #: 54 total cpu time spent up to now is 79.6 secs Computing kpt #: 55 total cpu time spent up to now is 80.3 secs Computing kpt #: 56 total cpu time spent up to now is 81.2 secs Computing kpt #: 57 total cpu time spent up to now is 81.8 secs Computing kpt #: 58 total cpu time spent up to now is 82.5 secs Computing kpt #: 59 total cpu time spent up to now is 83.1 secs Computing kpt #: 60 total cpu time spent up to now is 83.7 secs Computing kpt #: 61 total cpu time spent up to now is 84.3 secs Computing kpt #: 62 total cpu time spent up to now is 85.0 secs Computing kpt #: 63 total cpu time spent up to now is 85.6 secs Computing kpt #: 64 total cpu time spent up to now is 86.3 secs Computing kpt #: 65 total cpu time spent up to now is 86.9 secs Computing kpt #: 66 total cpu time spent up to now is 87.5 secs Computing kpt #: 67 total cpu time spent up to now is 88.2 secs Computing kpt #: 68 total cpu time spent up to now is 88.8 secs Computing kpt #: 69 total cpu time spent up to now is 89.4 secs Computing kpt #: 70 total cpu time spent up to now is 90.1 secs Computing kpt #: 71 total cpu time spent up to now is 90.8 secs Computing kpt #: 72 total cpu time spent up to now is 91.5 secs Computing kpt #: 73 total cpu time spent up to now is 92.2 secs Computing kpt #: 74 total cpu time spent up to now is 93.0 secs Computing kpt #: 75 total cpu time spent up to now is 93.7 secs Computing kpt #: 76 total cpu time spent up to now is 94.4 secs Computing kpt #: 77 total cpu time spent up to now is 95.1 secs Computing kpt #: 78 total cpu time spent up to now is 95.7 secs Computing kpt #: 79 total cpu time spent up to now is 96.5 secs Computing kpt #: 80 total cpu time spent up to now is 97.3 secs Computing kpt #: 81 total cpu time spent up to now is 98.1 secs Computing kpt #: 82 total cpu time spent up to now is 98.8 secs Computing kpt #: 83 total cpu time spent up to now is 99.6 secs Computing kpt #: 84 total cpu time spent up to now is 100.3 secs Computing kpt #: 85 total cpu time spent up to now is 101.0 secs Computing kpt #: 86 total cpu time spent up to now is 101.8 secs Computing kpt #: 87 total cpu time spent up to now is 102.5 secs Computing kpt #: 88 total cpu time spent up to now is 103.3 secs Computing kpt #: 89 total cpu time spent up to now is 104.2 secs Computing kpt #: 90 total cpu time spent up to now is 104.9 secs Computing kpt #: 91 total cpu time spent up to now is 105.7 secs Computing kpt #: 92 total cpu time spent up to now is 106.4 secs Computing kpt #: 93 total cpu time spent up to now is 107.2 secs Computing kpt #: 94 total cpu time spent up to now is 108.0 secs Computing kpt #: 95 total cpu time spent up to now is 108.8 secs Computing kpt #: 96 total cpu time spent up to now is 109.6 secs Computing kpt #: 97 total cpu time spent up to now is 110.4 secs Computing kpt #: 98 total cpu time spent up to now is 111.1 secs Computing kpt #: 99 total cpu time spent up to now is 111.8 secs Computing kpt #: 100 total cpu time spent up to now is 112.5 secs Computing kpt #: 101 total cpu time spent up to now is 113.3 secs Computing kpt #: 102 total cpu time spent up to now is 114.0 secs Computing kpt #: 103 total cpu time spent up to now is 114.8 secs Computing kpt #: 104 total cpu time spent up to now is 115.5 secs Computing kpt #: 105 total cpu time spent up to now is 116.3 secs Computing kpt #: 106 total cpu time spent up to now is 117.0 secs Computing kpt #: 107 total cpu time spent up to now is 117.7 secs Computing kpt #: 108 total cpu time spent up to now is 118.3 secs Computing kpt #: 109 total cpu time spent up to now is 119.0 secs Computing kpt #: 110 total cpu time spent up to now is 119.8 secs Computing kpt #: 111 total cpu time spent up to now is 120.4 secs Computing kpt #: 112 total cpu time spent up to now is 121.1 secs Computing kpt #: 113 total cpu time spent up to now is 121.8 secs Computing kpt #: 114 total cpu time spent up to now is 122.5 secs Computing kpt #: 115 total cpu time spent up to now is 123.1 secs Computing kpt #: 116 total cpu time spent up to now is 123.7 secs Computing kpt #: 117 total cpu time spent up to now is 124.4 secs Computing kpt #: 118 total cpu time spent up to now is 125.0 secs Computing kpt #: 119 total cpu time spent up to now is 125.7 secs Computing kpt #: 120 total cpu time spent up to now is 126.5 secs Computing kpt #: 121 total cpu time spent up to now is 127.2 secs Computing kpt #: 122 total cpu time spent up to now is 128.0 secs Computing kpt #: 123 total cpu time spent up to now is 128.7 secs Computing kpt #: 124 total cpu time spent up to now is 129.4 secs Computing kpt #: 125 total cpu time spent up to now is 130.1 secs Computing kpt #: 126 total cpu time spent up to now is 130.8 secs Computing kpt #: 127 total cpu time spent up to now is 131.5 secs Computing kpt #: 128 total cpu time spent up to now is 132.3 secs Computing kpt #: 129 total cpu time spent up to now is 133.0 secs Computing kpt #: 130 total cpu time spent up to now is 133.8 secs Computing kpt #: 131 total cpu time spent up to now is 134.5 secs Computing kpt #: 132 total cpu time spent up to now is 135.2 secs Computing kpt #: 133 total cpu time spent up to now is 135.9 secs Computing kpt #: 134 total cpu time spent up to now is 136.6 secs Computing kpt #: 135 total cpu time spent up to now is 137.4 secs Computing kpt #: 136 total cpu time spent up to now is 138.1 secs Computing kpt #: 137 total cpu time spent up to now is 138.9 secs Computing kpt #: 138 total cpu time spent up to now is 139.7 secs Computing kpt #: 139 total cpu time spent up to now is 140.5 secs Computing kpt #: 140 total cpu time spent up to now is 141.2 secs Computing kpt #: 141 total cpu time spent up to now is 141.9 secs Computing kpt #: 142 total cpu time spent up to now is 142.6 secs Computing kpt #: 143 total cpu time spent up to now is 143.2 secs Computing kpt #: 144 total cpu time spent up to now is 143.9 secs Computing kpt #: 145 total cpu time spent up to now is 144.7 secs Computing kpt #: 146 total cpu time spent up to now is 145.4 secs Computing kpt #: 147 total cpu time spent up to now is 146.2 secs Computing kpt #: 148 total cpu time spent up to now is 146.9 secs Computing kpt #: 149 total cpu time spent up to now is 147.7 secs Computing kpt #: 150 total cpu time spent up to now is 148.4 secs Computing kpt #: 151 total cpu time spent up to now is 149.1 secs Computing kpt #: 152 total cpu time spent up to now is 149.9 secs Computing kpt #: 153 total cpu time spent up to now is 150.6 secs Computing kpt #: 154 total cpu time spent up to now is 151.3 secs Computing kpt #: 155 total cpu time spent up to now is 152.1 secs Computing kpt #: 156 total cpu time spent up to now is 152.8 secs Computing kpt #: 157 total cpu time spent up to now is 153.5 secs Computing kpt #: 158 total cpu time spent up to now is 154.3 secs Computing kpt #: 159 total cpu time spent up to now is 154.9 secs Computing kpt #: 160 total cpu time spent up to now is 155.5 secs Computing kpt #: 161 total cpu time spent up to now is 156.2 secs Computing kpt #: 162 total cpu time spent up to now is 156.8 secs Computing kpt #: 163 total cpu time spent up to now is 157.6 secs Computing kpt #: 164 total cpu time spent up to now is 158.3 secs Computing kpt #: 165 total cpu time spent up to now is 158.9 secs Computing kpt #: 166 total cpu time spent up to now is 159.6 secs Computing kpt #: 167 total cpu time spent up to now is 160.2 secs Computing kpt #: 168 total cpu time spent up to now is 160.8 secs Computing kpt #: 169 total cpu time spent up to now is 161.5 secs Computing kpt #: 170 total cpu time spent up to now is 162.1 secs Computing kpt #: 171 total cpu time spent up to now is 162.8 secs Computing kpt #: 172 total cpu time spent up to now is 163.5 secs Computing kpt #: 173 total cpu time spent up to now is 164.1 secs Computing kpt #: 174 total cpu time spent up to now is 164.7 secs Computing kpt #: 175 total cpu time spent up to now is 165.4 secs Computing kpt #: 176 total cpu time spent up to now is 166.0 secs Computing kpt #: 177 total cpu time spent up to now is 166.6 secs Computing kpt #: 178 total cpu time spent up to now is 167.3 secs Computing kpt #: 179 total cpu time spent up to now is 167.9 secs Computing kpt #: 180 total cpu time spent up to now is 168.6 secs Computing kpt #: 181 total cpu time spent up to now is 169.2 secs Computing kpt #: 182 total cpu time spent up to now is 169.9 secs Computing kpt #: 183 total cpu time spent up to now is 170.6 secs Computing kpt #: 184 total cpu time spent up to now is 171.2 secs Computing kpt #: 185 total cpu time spent up to now is 171.9 secs Computing kpt #: 186 total cpu time spent up to now is 172.5 secs Computing kpt #: 187 total cpu time spent up to now is 173.1 secs Computing kpt #: 188 total cpu time spent up to now is 173.8 secs Computing kpt #: 189 total cpu time spent up to now is 174.4 secs Computing kpt #: 190 total cpu time spent up to now is 175.1 secs Computing kpt #: 191 total cpu time spent up to now is 175.8 secs Computing kpt #: 192 total cpu time spent up to now is 176.4 secs Computing kpt #: 193 total cpu time spent up to now is 177.1 secs Computing kpt #: 194 total cpu time spent up to now is 177.7 secs Computing kpt #: 195 total cpu time spent up to now is 178.3 secs Computing kpt #: 196 total cpu time spent up to now is 179.1 secs Computing kpt #: 197 total cpu time spent up to now is 179.6 secs Computing kpt #: 198 total cpu time spent up to now is 180.2 secs Computing kpt #: 199 total cpu time spent up to now is 180.9 secs Computing kpt #: 200 total cpu time spent up to now is 181.6 secs Computing kpt #: 201 total cpu time spent up to now is 182.3 secs Computing kpt #: 202 total cpu time spent up to now is 183.0 secs Computing kpt #: 203 total cpu time spent up to now is 183.7 secs Computing kpt #: 204 total cpu time spent up to now is 184.5 secs Computing kpt #: 205 total cpu time spent up to now is 185.1 secs Computing kpt #: 206 total cpu time spent up to now is 185.7 secs Computing kpt #: 207 total cpu time spent up to now is 186.3 secs Computing kpt #: 208 total cpu time spent up to now is 186.9 secs Computing kpt #: 209 total cpu time spent up to now is 187.6 secs Computing kpt #: 210 total cpu time spent up to now is 188.2 secs Computing kpt #: 211 total cpu time spent up to now is 188.8 secs Computing kpt #: 212 total cpu time spent up to now is 189.6 secs Computing kpt #: 213 total cpu time spent up to now is 190.3 secs Computing kpt #: 214 total cpu time spent up to now is 191.0 secs Computing kpt #: 215 total cpu time spent up to now is 191.7 secs Computing kpt #: 216 total cpu time spent up to now is 192.6 secs Computing kpt #: 217 total cpu time spent up to now is 193.3 secs Computing kpt #: 218 total cpu time spent up to now is 194.3 secs Computing kpt #: 219 total cpu time spent up to now is 195.3 secs Computing kpt #: 220 total cpu time spent up to now is 196.5 secs Computing kpt #: 221 total cpu time spent up to now is 197.6 secs Computing kpt #: 222 total cpu time spent up to now is 199.0 secs Computing kpt #: 223 total cpu time spent up to now is 200.1 secs Computing kpt #: 224 total cpu time spent up to now is 200.9 secs Computing kpt #: 225 total cpu time spent up to now is 202.1 secs Computing kpt #: 226 total cpu time spent up to now is 202.8 secs Computing kpt #: 227 total cpu time spent up to now is 203.4 secs Computing kpt #: 228 total cpu time spent up to now is 204.5 secs Computing kpt #: 229 total cpu time spent up to now is 205.3 secs Computing kpt #: 230 total cpu time spent up to now is 205.9 secs Computing kpt #: 231 total cpu time spent up to now is 206.5 secs Computing kpt #: 232 total cpu time spent up to now is 207.2 secs Computing kpt #: 233 total cpu time spent up to now is 207.8 secs Computing kpt #: 234 total cpu time spent up to now is 208.5 secs Computing kpt #: 235 total cpu time spent up to now is 209.5 secs Computing kpt #: 236 total cpu time spent up to now is 210.3 secs Computing kpt #: 237 total cpu time spent up to now is 210.9 secs Computing kpt #: 238 total cpu time spent up to now is 211.6 secs Computing kpt #: 239 total cpu time spent up to now is 212.2 secs Computing kpt #: 240 total cpu time spent up to now is 212.8 secs Computing kpt #: 241 total cpu time spent up to now is 213.7 secs Computing kpt #: 242 total cpu time spent up to now is 214.5 secs Computing kpt #: 243 total cpu time spent up to now is 215.2 secs Computing kpt #: 244 total cpu time spent up to now is 215.8 secs Computing kpt #: 245 total cpu time spent up to now is 216.4 secs Computing kpt #: 246 total cpu time spent up to now is 217.0 secs Computing kpt #: 247 total cpu time spent up to now is 217.7 secs Computing kpt #: 248 total cpu time spent up to now is 218.3 secs Computing kpt #: 249 total cpu time spent up to now is 218.9 secs Computing kpt #: 250 total cpu time spent up to now is 219.6 secs Computing kpt #: 251 total cpu time spent up to now is 220.3 secs Computing kpt #: 252 total cpu time spent up to now is 221.0 secs Computing kpt #: 253 total cpu time spent up to now is 221.6 secs Computing kpt #: 254 total cpu time spent up to now is 222.2 secs Computing kpt #: 255 total cpu time spent up to now is 222.8 secs Computing kpt #: 256 total cpu time spent up to now is 223.5 secs Computing kpt #: 257 total cpu time spent up to now is 224.1 secs Computing kpt #: 258 total cpu time spent up to now is 224.8 secs Computing kpt #: 259 total cpu time spent up to now is 225.4 secs Computing kpt #: 260 total cpu time spent up to now is 226.0 secs Computing kpt #: 261 total cpu time spent up to now is 226.7 secs Computing kpt #: 262 total cpu time spent up to now is 227.4 secs Computing kpt #: 263 total cpu time spent up to now is 228.1 secs Computing kpt #: 264 total cpu time spent up to now is 228.8 secs Computing kpt #: 265 total cpu time spent up to now is 229.4 secs Computing kpt #: 266 total cpu time spent up to now is 230.0 secs Computing kpt #: 267 total cpu time spent up to now is 230.7 secs Computing kpt #: 268 total cpu time spent up to now is 231.3 secs Computing kpt #: 269 total cpu time spent up to now is 232.0 secs Computing kpt #: 270 total cpu time spent up to now is 232.9 secs Computing kpt #: 271 total cpu time spent up to now is 233.9 secs Computing kpt #: 272 total cpu time spent up to now is 234.6 secs Computing kpt #: 273 total cpu time spent up to now is 235.3 secs Computing kpt #: 274 total cpu time spent up to now is 236.1 secs Computing kpt #: 275 total cpu time spent up to now is 236.8 secs Computing kpt #: 276 total cpu time spent up to now is 237.5 secs Computing kpt #: 277 total cpu time spent up to now is 238.4 secs ethr = 3.13E-11, avg # of iterations = 20.3 total cpu time spent up to now is 238.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -24.8095 -24.8095 -23.6592 -23.6592 -23.6555 -23.6555 -23.6555 -23.6555 -7.8437 -7.8437 -6.5366 -6.5366 -6.5366 -6.5366 -6.5265 -6.5265 -4.3767 -4.3767 -4.3767 -4.3767 -4.1438 -4.1438 -4.0828 -4.0828 -4.0828 -4.0828 -3.8067 -3.8067 -3.7762 -3.7762 -3.7762 -3.7762 4.8486 4.8486 10.9575 10.9575 10.9695 10.9695 10.9695 10.9695 k = 0.0086-0.0061 0.0106 ( 3151 PWs) bands (ev): -24.8094 -24.8094 -23.6593 -23.6593 -23.6555 -23.6555 -23.6555 -23.6555 -7.8441 -7.8441 -6.5363 -6.5363 -6.5360 -6.5360 -6.5260 -6.5260 -4.3780 -4.3780 -4.3770 -4.3770 -4.1444 -4.1444 -4.0834 -4.0834 -4.0832 -4.0832 -3.8060 -3.8060 -3.7759 -3.7759 -3.7752 -3.7752 4.8509 4.8509 10.9565 10.9565 10.9683 10.9683 10.9689 10.9689 k = 0.0172-0.0122 0.0211 ( 3151 PWs) bands (ev): -24.8089 -24.8089 -23.6595 -23.6595 -23.6557 -23.6557 -23.6557 -23.6557 -7.8455 -7.8455 -6.5353 -6.5353 -6.5343 -6.5343 -6.5246 -6.5246 -4.3813 -4.3813 -4.3783 -4.3783 -4.1459 -4.1459 -4.0854 -4.0854 -4.0845 -4.0845 -3.8040 -3.8040 -3.7743 -3.7743 -3.7727 -3.7727 4.8578 4.8578 10.9534 10.9534 10.9646 10.9646 10.9671 10.9671 k = 0.0259-0.0183 0.0317 ( 3147 PWs) bands (ev): -24.8081 -24.8081 -23.6598 -23.6598 -23.6561 -23.6561 -23.6560 -23.6560 -7.8478 -7.8478 -6.5338 -6.5338 -6.5316 -6.5316 -6.5221 -6.5221 -4.3867 -4.3867 -4.3805 -4.3805 -4.1485 -4.1485 -4.0886 -4.0886 -4.0867 -4.0867 -3.8007 -3.8007 -3.7715 -3.7715 -3.7687 -3.7687 4.8693 4.8693 10.9478 10.9478 10.9584 10.9584 10.9644 10.9644 k = 0.0345-0.0244 0.0422 ( 3163 PWs) bands (ev): -24.8070 -24.8070 -23.6603 -23.6603 -23.6566 -23.6566 -23.6564 -23.6564 -7.8510 -7.8510 -6.5315 -6.5315 -6.5282 -6.5282 -6.5182 -6.5182 -4.3941 -4.3941 -4.3837 -4.3837 -4.1521 -4.1521 -4.0931 -4.0931 -4.0897 -4.0897 -3.7962 -3.7962 -3.7677 -3.7677 -3.7631 -3.7631 4.8853 4.8853 10.9395 10.9395 10.9496 10.9496 10.9611 10.9611 k = 0.0431-0.0305 0.0528 ( 3179 PWs) bands (ev): -24.8056 -24.8056 -23.6609 -23.6609 -23.6572 -23.6572 -23.6570 -23.6570 -7.8551 -7.8551 -6.5287 -6.5287 -6.5244 -6.5244 -6.5129 -6.5129 -4.4034 -4.4034 -4.3878 -4.3878 -4.1567 -4.1567 -4.0986 -4.0986 -4.0936 -4.0936 -3.7907 -3.7907 -3.7628 -3.7628 -3.7561 -3.7561 4.9058 4.9058 10.9285 10.9285 10.9384 10.9384 10.9570 10.9570 k = 0.0517-0.0366 0.0633 ( 3183 PWs) bands (ev): -24.8039 -24.8039 -23.6616 -23.6616 -23.6579 -23.6579 -23.6576 -23.6576 -7.8599 -7.8599 -6.5252 -6.5252 -6.5202 -6.5202 -6.5059 -6.5059 -4.4144 -4.4144 -4.3930 -4.3930 -4.1623 -4.1623 -4.1052 -4.1052 -4.0982 -4.0982 -3.7841 -3.7841 -3.7569 -3.7569 -3.7476 -3.7476 4.9308 4.9308 10.9147 10.9147 10.9246 10.9246 10.9521 10.9521 k = 0.0603-0.0427 0.0739 ( 3183 PWs) bands (ev): -24.8019 -24.8019 -23.6624 -23.6624 -23.6588 -23.6588 -23.6584 -23.6584 -7.8655 -7.8655 -6.5211 -6.5211 -6.5156 -6.5156 -6.4975 -6.4975 -4.4269 -4.4269 -4.3992 -4.3992 -4.1688 -4.1688 -4.1126 -4.1126 -4.1035 -4.1035 -3.7767 -3.7767 -3.7501 -3.7501 -3.7379 -3.7379 4.9602 4.9602 10.8983 10.8983 10.9083 10.9083 10.9462 10.9462 k = 0.0690-0.0488 0.0845 ( 3179 PWs) bands (ev): -24.7995 -24.7995 -23.6633 -23.6633 -23.6597 -23.6597 -23.6593 -23.6593 -7.8718 -7.8718 -6.5163 -6.5163 -6.5104 -6.5104 -6.4877 -6.4877 -4.4408 -4.4408 -4.4066 -4.4066 -4.1762 -4.1762 -4.1209 -4.1209 -4.1096 -4.1096 -3.7685 -3.7685 -3.7424 -3.7424 -3.7270 -3.7270 4.9939 4.9939 10.8793 10.8793 10.8895 10.8895 10.9392 10.9392 k = 0.0776-0.0549 0.0950 ( 3179 PWs) bands (ev): -24.7969 -24.7969 -23.6644 -23.6644 -23.6608 -23.6608 -23.6603 -23.6603 -7.8787 -7.8787 -6.5109 -6.5109 -6.5048 -6.5048 -6.4766 -6.4766 -4.4559 -4.4559 -4.4152 -4.4152 -4.1845 -4.1845 -4.1298 -4.1298 -4.1163 -4.1163 -3.7595 -3.7595 -3.7338 -3.7338 -3.7152 -3.7152 5.0318 5.0318 10.8576 10.8576 10.8680 10.8680 10.9307 10.9307 k = 0.0862-0.0610 0.1056 ( 3179 PWs) bands (ev): -24.7940 -24.7940 -23.6655 -23.6655 -23.6620 -23.6620 -23.6613 -23.6613 -7.8862 -7.8862 -6.5048 -6.5048 -6.4985 -6.4985 -6.4645 -6.4645 -4.4721 -4.4721 -4.4251 -4.4251 -4.1936 -4.1936 -4.1392 -4.1392 -4.1236 -4.1236 -3.7499 -3.7499 -3.7245 -3.7245 -3.7024 -3.7024 5.0738 5.0738 10.8333 10.8333 10.8440 10.8440 10.9206 10.9206 k = 0.0948-0.0671 0.1161 ( 3179 PWs) bands (ev): -24.7909 -24.7909 -23.6668 -23.6668 -23.6634 -23.6634 -23.6625 -23.6625 -7.8943 -7.8943 -6.4981 -6.4981 -6.4917 -6.4917 -6.4513 -6.4513 -4.4892 -4.4892 -4.4364 -4.4364 -4.2033 -4.2033 -4.1491 -4.1491 -4.1316 -4.1316 -3.7396 -3.7396 -3.7145 -3.7145 -3.6890 -3.6890 5.1198 5.1198 10.8064 10.8064 10.8174 10.8174 10.9087 10.9087 k = 0.1034-0.0731 0.1267 ( 3191 PWs) bands (ev): -24.7874 -24.7874 -23.6682 -23.6682 -23.6648 -23.6648 -23.6639 -23.6639 -7.9028 -7.9028 -6.4909 -6.4909 -6.4842 -6.4842 -6.4373 -6.4373 -4.5071 -4.5071 -4.4491 -4.4491 -4.2137 -4.2137 -4.1594 -4.1594 -4.1402 -4.1402 -3.7287 -3.7287 -3.7038 -3.7038 -3.6750 -3.6750 5.1698 5.1698 10.7770 10.7770 10.7883 10.7883 10.8946 10.8946 k = 0.1121-0.0792 0.1373 ( 3191 PWs) bands (ev): -24.7837 -24.7837 -23.6697 -23.6697 -23.6664 -23.6664 -23.6653 -23.6653 -7.9116 -7.9116 -6.4829 -6.4829 -6.4762 -6.4762 -6.4224 -6.4224 -4.5256 -4.5256 -4.4632 -4.4632 -4.2245 -4.2245 -4.1700 -4.1700 -4.1493 -4.1493 -3.7172 -3.7172 -3.6925 -3.6925 -3.6605 -3.6605 5.2235 5.2235 10.7450 10.7450 10.7567 10.7567 10.8782 10.8782 k = 0.1207-0.0853 0.1478 ( 3199 PWs) bands (ev): -24.7798 -24.7798 -23.6714 -23.6714 -23.6680 -23.6680 -23.6667 -23.6667 -7.9208 -7.9208 -6.4743 -6.4743 -6.4675 -6.4675 -6.4067 -6.4067 -4.5447 -4.5447 -4.4788 -4.4788 -4.2358 -4.2358 -4.1810 -4.1810 -4.1589 -4.1589 -3.7052 -3.7052 -3.6806 -3.6806 -3.6456 -3.6456 5.2810 5.2810 10.7107 10.7107 10.7227 10.7227 10.8593 10.8593 k = 0.1293-0.0914 0.1584 ( 3199 PWs) bands (ev): -24.7756 -24.7756 -23.6731 -23.6731 -23.6698 -23.6698 -23.6683 -23.6683 -7.9303 -7.9303 -6.4651 -6.4651 -6.4582 -6.4582 -6.3904 -6.3904 -4.5643 -4.5643 -4.4959 -4.4959 -4.2472 -4.2472 -4.1923 -4.1923 -4.1691 -4.1691 -3.6927 -3.6927 -3.6682 -3.6682 -3.6304 -3.6304 5.3419 5.3419 10.6739 10.6739 10.6863 10.6863 10.8377 10.8377 k = 0.1379-0.0975 0.1689 ( 3211 PWs) bands (ev): -24.7711 -24.7711 -23.6749 -23.6749 -23.6716 -23.6716 -23.6700 -23.6700 -7.9400 -7.9400 -6.4553 -6.4553 -6.4482 -6.4482 -6.3735 -6.3735 -4.5843 -4.5843 -4.5144 -4.5144 -4.2589 -4.2589 -4.2039 -4.2039 -4.1798 -4.1798 -3.6798 -3.6798 -3.6553 -3.6553 -3.6151 -3.6151 5.4063 5.4063 10.6349 10.6349 10.6476 10.6476 10.8135 10.8135 k = 0.1466-0.1036 0.1795 ( 3211 PWs) bands (ev): -24.7665 -24.7665 -23.6768 -23.6768 -23.6735 -23.6735 -23.6717 -23.6717 -7.9498 -7.9498 -6.4448 -6.4448 -6.4377 -6.4377 -6.3561 -6.3561 -4.6045 -4.6045 -4.5342 -4.5342 -4.2708 -4.2708 -4.2158 -4.2158 -4.1910 -4.1910 -3.6665 -3.6665 -3.6420 -3.6420 -3.5997 -3.5997 5.4739 5.4739 10.5938 10.5938 10.6068 10.6068 10.7867 10.7867 k = 0.1552-0.1097 0.1900 ( 3215 PWs) bands (ev): -24.7616 -24.7616 -23.6788 -23.6788 -23.6755 -23.6755 -23.6736 -23.6736 -7.9597 -7.9597 -6.4337 -6.4337 -6.4265 -6.4265 -6.3383 -6.3383 -4.6249 -4.6249 -4.5552 -4.5552 -4.2828 -4.2828 -4.2281 -4.2281 -4.2026 -4.2026 -3.6528 -3.6528 -3.6283 -3.6283 -3.5842 -3.5842 5.5447 5.5447 10.5507 10.5507 10.5640 10.5640 10.7575 10.7575 k = 0.1638-0.1158 0.2006 ( 3215 PWs) bands (ev): -24.7565 -24.7565 -23.6808 -23.6808 -23.6776 -23.6776 -23.6755 -23.6755 -7.9697 -7.9697 -6.4220 -6.4220 -6.4147 -6.4147 -6.3200 -6.3200 -4.6455 -4.6455 -4.5773 -4.5773 -4.2949 -4.2949 -4.2407 -4.2407 -4.2148 -4.2148 -3.6387 -3.6387 -3.6143 -3.6143 -3.5687 -3.5687 5.6185 5.6185 10.5057 10.5057 10.5193 10.5193 10.7262 10.7262 k = 0.1724-0.1219 0.2112 ( 3215 PWs) bands (ev): -24.7513 -24.7513 -23.6829 -23.6829 -23.6798 -23.6798 -23.6774 -23.6774 -7.9797 -7.9797 -6.4097 -6.4097 -6.4023 -6.4023 -6.3015 -6.3015 -4.6662 -4.6662 -4.6004 -4.6004 -4.3071 -4.3071 -4.2536 -4.2536 -4.2274 -4.2274 -3.6244 -3.6244 -3.5999 -3.5999 -3.5532 -3.5532 5.6951 5.6951 10.4591 10.4591 10.4730 10.4730 10.6930 10.6930 k = 0.1810-0.1280 0.2217 ( 3215 PWs) bands (ev): -24.7459 -24.7459 -23.6851 -23.6851 -23.6820 -23.6820 -23.6795 -23.6795 -7.9896 -7.9896 -6.3968 -6.3968 -6.3894 -6.3894 -6.2828 -6.2828 -4.6869 -4.6869 -4.6243 -4.6243 -4.3195 -4.3195 -4.2669 -4.2669 -4.2405 -4.2405 -3.6099 -3.6099 -3.5854 -3.5854 -3.5378 -3.5378 5.7744 5.7744 10.4109 10.4109 10.4251 10.4251 10.6582 10.6582 k = 0.1897-0.1341 0.2323 ( 3223 PWs) bands (ev): -24.7403 -24.7403 -23.6874 -23.6874 -23.6842 -23.6842 -23.6816 -23.6816 -7.9995 -7.9995 -6.3834 -6.3834 -6.3758 -6.3758 -6.2639 -6.2639 -4.7076 -4.7076 -4.6488 -4.6488 -4.3321 -4.3321 -4.2805 -4.2805 -4.2540 -4.2540 -3.5951 -3.5951 -3.5706 -3.5706 -3.5226 -3.5226 5.8562 5.8562 10.3615 10.3615 10.3759 10.3759 10.6222 10.6222 k = 0.1983-0.1402 0.2428 ( 3223 PWs) bands (ev): -24.7346 -24.7346 -23.6897 -23.6897 -23.6865 -23.6865 -23.6838 -23.6838 -8.0093 -8.0093 -6.3693 -6.3693 -6.3617 -6.3617 -6.2449 -6.2449 -4.7282 -4.7282 -4.6739 -4.6739 -4.3450 -4.3450 -4.2945 -4.2945 -4.2679 -4.2679 -3.5802 -3.5802 -3.5557 -3.5557 -3.5075 -3.5075 5.9404 5.9404 10.3109 10.3109 10.3255 10.3255 10.5852 10.5852 k = 0.2069-0.1463 0.2534 ( 3223 PWs) bands (ev): -24.7287 -24.7287 -23.6920 -23.6920 -23.6889 -23.6889 -23.6860 -23.6860 -8.0189 -8.0189 -6.3547 -6.3547 -6.3470 -6.3470 -6.2259 -6.2259 -4.7487 -4.7487 -4.6992 -4.6992 -4.3581 -4.3581 -4.3088 -4.3088 -4.2823 -4.2823 -3.5652 -3.5652 -3.5406 -3.5406 -3.4926 -3.4926 6.0269 6.0269 10.2594 10.2594 10.2743 10.2743 10.5475 10.5475 k = 0.2155-0.1524 0.2640 ( 3223 PWs) bands (ev): -24.7228 -24.7228 -23.6944 -23.6944 -23.6913 -23.6913 -23.6883 -23.6883 -8.0283 -8.0283 -6.3396 -6.3396 -6.3318 -6.3318 -6.2069 -6.2069 -4.7690 -4.7690 -4.7248 -4.7248 -4.3715 -4.3715 -4.3235 -4.3235 -4.2971 -4.2971 -3.5501 -3.5501 -3.5255 -3.5255 -3.4779 -3.4779 6.1155 6.1155 10.2073 10.2073 10.2223 10.2223 10.5093 10.5093 k = 0.2241-0.1585 0.2745 ( 3219 PWs) bands (ev): -24.7167 -24.7167 -23.6968 -23.6968 -23.6937 -23.6937 -23.6906 -23.6906 -8.0376 -8.0376 -6.3239 -6.3239 -6.3161 -6.3161 -6.1879 -6.1879 -4.7891 -4.7891 -4.7504 -4.7504 -4.3851 -4.3851 -4.3385 -4.3385 -4.3122 -4.3122 -3.5350 -3.5350 -3.5103 -3.5103 -3.4634 -3.4634 6.2060 6.2060 10.1546 10.1546 10.1698 10.1698 10.4709 10.4709 k = 0.2328-0.1646 0.2851 ( 3219 PWs) bands (ev): -24.7106 -24.7106 -23.6992 -23.6992 -23.6961 -23.6961 -23.6929 -23.6929 -8.0467 -8.0467 -6.3078 -6.3078 -6.2999 -6.2999 -6.1691 -6.1691 -4.8090 -4.8090 -4.7758 -4.7758 -4.3992 -4.3992 -4.3538 -4.3538 -4.3278 -4.3278 -3.5199 -3.5199 -3.4951 -3.4951 -3.4492 -3.4492 6.2984 6.2984 10.1016 10.1016 10.1170 10.1170 10.4324 10.4324 k = 0.2414-0.1707 0.2956 ( 3220 PWs) bands (ev): -24.7044 -24.7044 -23.7016 -23.7016 -23.6986 -23.6986 -23.6953 -23.6953 -8.0555 -8.0555 -6.2911 -6.2911 -6.2832 -6.2832 -6.1505 -6.1505 -4.8285 -4.8285 -4.8011 -4.8011 -4.4135 -4.4135 -4.3694 -4.3694 -4.3437 -4.3437 -3.5049 -3.5049 -3.4800 -3.4800 -3.4353 -3.4353 6.3923 6.3923 10.0485 10.0485 10.0641 10.0641 10.3940 10.3940 k = 0.2500-0.1768 0.3062 ( 3216 PWs) bands (ev): -24.6982 -24.6982 -23.7041 -23.7041 -23.7010 -23.7010 -23.6977 -23.6977 -8.0641 -8.0641 -6.2741 -6.2741 -6.2660 -6.2660 -6.1320 -6.1320 -4.8478 -4.8478 -4.8260 -4.8260 -4.4282 -4.4282 -4.3853 -4.3853 -4.3600 -4.3600 -3.4900 -3.4900 -3.4649 -3.4649 -3.4217 -3.4217 6.4878 6.4878 9.9955 9.9955 10.0112 10.0112 10.3559 10.3559 k = 0.2586-0.1829 0.3167 ( 3216 PWs) bands (ev): -24.6919 -24.6919 -23.7065 -23.7065 -23.7035 -23.7035 -23.7002 -23.7002 -8.0724 -8.0724 -6.2565 -6.2565 -6.2484 -6.2484 -6.1139 -6.1139 -4.8668 -4.8668 -4.8504 -4.8504 -4.4433 -4.4433 -4.4014 -4.4014 -4.3766 -4.3766 -3.4752 -3.4752 -3.4500 -3.4500 -3.4084 -3.4084 6.5845 6.5845 9.9428 9.9428 9.9586 9.9586 10.3181 10.3181 k = 0.2672-0.1890 0.3273 ( 3224 PWs) bands (ev): -24.6857 -24.6857 -23.7090 -23.7090 -23.7059 -23.7059 -23.7026 -23.7026 -8.0805 -8.0805 -6.2386 -6.2386 -6.2305 -6.2305 -6.0961 -6.0961 -4.8854 -4.8854 -4.8742 -4.8742 -4.4587 -4.4587 -4.4178 -4.4178 -4.3935 -4.3935 -3.4606 -3.4606 -3.4353 -3.4353 -3.3954 -3.3954 6.6825 6.6825 9.8905 9.8905 9.9065 9.9065 10.2807 10.2807 k = 0.2759-0.1951 0.3379 ( 3224 PWs) bands (ev): -24.6794 -24.6794 -23.7114 -23.7114 -23.7083 -23.7083 -23.7051 -23.7051 -8.0883 -8.0883 -6.2204 -6.2204 -6.2122 -6.2122 -6.0786 -6.0786 -4.9036 -4.9036 -4.8973 -4.8973 -4.4744 -4.4744 -4.4345 -4.4345 -4.4107 -4.4107 -3.4462 -3.4462 -3.4208 -3.4208 -3.3828 -3.3828 6.7815 6.7815 9.8389 9.8389 9.8550 9.8550 10.2438 10.2438 k = 0.2845-0.2012 0.3484 ( 3228 PWs) bands (ev): -24.6732 -24.6732 -23.7138 -23.7138 -23.7108 -23.7108 -23.7075 -23.7075 -8.0959 -8.0959 -6.2018 -6.2018 -6.1936 -6.1936 -6.0615 -6.0615 -4.9219 -4.9219 -4.9191 -4.9191 -4.4905 -4.4905 -4.4513 -4.4513 -4.4281 -4.4281 -3.4321 -3.4321 -3.4065 -3.4065 -3.3706 -3.3706 6.8813 6.8813 9.7881 9.7881 9.8043 9.8043 10.2074 10.2074 k = 0.2931-0.2073 0.3590 ( 3220 PWs) bands (ev): -24.6670 -24.6670 -23.7162 -23.7162 -23.7131 -23.7131 -23.7099 -23.7099 -8.1031 -8.1031 -6.1829 -6.1829 -6.1747 -6.1747 -6.0448 -6.0448 -4.9421 -4.9421 -4.9378 -4.9378 -4.5068 -4.5068 -4.4682 -4.4682 -4.4457 -4.4457 -3.4182 -3.4182 -3.3925 -3.3925 -3.3586 -3.3586 6.9818 6.9818 9.7382 9.7382 9.7545 9.7545 10.1716 10.1716 k = 0.3017-0.2134 0.3695 ( 3220 PWs) bands (ev): -24.6609 -24.6609 -23.7185 -23.7185 -23.7155 -23.7155 -23.7124 -23.7124 -8.1101 -8.1101 -6.1638 -6.1638 -6.1555 -6.1555 -6.0286 -6.0286 -4.9625 -4.9625 -4.9547 -4.9547 -4.5234 -4.5234 -4.4853 -4.4853 -4.4635 -4.4635 -3.4047 -3.4047 -3.3788 -3.3788 -3.3471 -3.3471 7.0829 7.0829 9.6894 9.6894 9.7058 9.7058 10.1363 10.1363 k = 0.3103-0.2194 0.3801 ( 3232 PWs) bands (ev): -24.6548 -24.6548 -23.7209 -23.7209 -23.7178 -23.7178 -23.7148 -23.7148 -8.1167 -8.1167 -6.1446 -6.1446 -6.1363 -6.1363 -6.0129 -6.0129 -4.9822 -4.9822 -4.9710 -4.9710 -4.5402 -4.5402 -4.5025 -4.5025 -4.4815 -4.4815 -3.3916 -3.3916 -3.3654 -3.3654 -3.3360 -3.3360 7.1844 7.1844 9.6418 9.6418 9.6583 9.6583 10.1016 10.1016 k = 0.3190-0.2255 0.3907 ( 3232 PWs) bands (ev): -24.6489 -24.6489 -23.7231 -23.7231 -23.7200 -23.7200 -23.7171 -23.7171 -8.1231 -8.1231 -6.1252 -6.1252 -6.1169 -6.1169 -5.9977 -5.9977 -5.0008 -5.0008 -4.9866 -4.9866 -4.5572 -4.5572 -4.5197 -4.5197 -4.4996 -4.4996 -3.3788 -3.3788 -3.3525 -3.3525 -3.3253 -3.3253 7.2861 7.2861 9.5956 9.5956 9.6122 9.6122 10.0674 10.0674 k = 0.3276-0.2316 0.4012 ( 3220 PWs) bands (ev): -24.6430 -24.6430 -23.7253 -23.7253 -23.7222 -23.7222 -23.7195 -23.7195 -8.1292 -8.1292 -6.1057 -6.1057 -6.0974 -6.0974 -5.9831 -5.9831 -5.0184 -5.0184 -5.0017 -5.0017 -4.5743 -4.5743 -4.5369 -4.5369 -4.5176 -4.5176 -3.3665 -3.3665 -3.3399 -3.3399 -3.3149 -3.3149 7.3879 7.3879 9.5509 9.5509 9.5676 9.5676 10.0336 10.0336 k = 0.3362-0.2377 0.4118 ( 3220 PWs) bands (ev): -24.6374 -24.6374 -23.7275 -23.7275 -23.7243 -23.7243 -23.7218 -23.7218 -8.1350 -8.1350 -6.0862 -6.0862 -6.0779 -6.0779 -5.9691 -5.9691 -5.0349 -5.0349 -5.0162 -5.0162 -4.5915 -4.5915 -4.5541 -4.5541 -4.5357 -4.5357 -3.3546 -3.3546 -3.3277 -3.3277 -3.3050 -3.3050 7.4895 7.4895 9.5077 9.5077 9.5245 9.5245 10.0003 10.0003 k = 0.3448-0.2438 0.4223 ( 3220 PWs) bands (ev): -24.6319 -24.6319 -23.7295 -23.7295 -23.7264 -23.7264 -23.7240 -23.7240 -8.1405 -8.1405 -6.0667 -6.0667 -6.0585 -6.0585 -5.9556 -5.9556 -5.0502 -5.0502 -5.0301 -5.0301 -4.6087 -4.6087 -4.5711 -4.5711 -4.5538 -4.5538 -3.3433 -3.3433 -3.3161 -3.3161 -3.2955 -3.2955 7.5909 7.5909 9.4663 9.4663 9.4831 9.4831 9.9672 9.9672 k = 0.3534-0.2499 0.4329 ( 3228 PWs) bands (ev): -24.6265 -24.6265 -23.7316 -23.7316 -23.7284 -23.7284 -23.7262 -23.7262 -8.1457 -8.1457 -6.0474 -6.0474 -6.0393 -6.0393 -5.9429 -5.9429 -5.0644 -5.0644 -5.0433 -5.0433 -4.6258 -4.6258 -4.5879 -4.5879 -4.5716 -4.5716 -3.3324 -3.3324 -3.3049 -3.3049 -3.2864 -3.2864 7.6919 7.6919 9.4266 9.4266 9.4435 9.4435 9.9343 9.9343 k = 0.3621-0.2560 0.4434 ( 3224 PWs) bands (ev): -24.6214 -24.6214 -23.7335 -23.7335 -23.7303 -23.7303 -23.7282 -23.7282 -8.1506 -8.1506 -6.0283 -6.0283 -6.0203 -6.0203 -5.9307 -5.9307 -5.0774 -5.0774 -5.0559 -5.0559 -4.6428 -4.6428 -4.6045 -4.6045 -4.5893 -4.5893 -3.3221 -3.3221 -3.2942 -3.2942 -3.2778 -3.2778 7.7923 7.7923 9.3888 9.3888 9.4057 9.4057 9.9014 9.9014 k = 0.3707-0.2621 0.4540 ( 3224 PWs) bands (ev): -24.6164 -24.6164 -23.7353 -23.7353 -23.7321 -23.7321 -23.7302 -23.7302 -8.1551 -8.1551 -6.0095 -6.0095 -6.0016 -6.0016 -5.9193 -5.9193 -5.0893 -5.0893 -5.0678 -5.0678 -4.6596 -4.6596 -4.6208 -4.6208 -4.6067 -4.6067 -3.3123 -3.3123 -3.2841 -3.2841 -3.2696 -3.2696 7.8918 7.8918 9.3529 9.3529 9.3699 9.3699 9.8684 9.8684 k = 0.3793-0.2682 0.4646 ( 3224 PWs) bands (ev): -24.6117 -24.6117 -23.7371 -23.7371 -23.7338 -23.7338 -23.7322 -23.7322 -8.1595 -8.1595 -5.9911 -5.9911 -5.9833 -5.9833 -5.9085 -5.9085 -5.1000 -5.1000 -5.0790 -5.0790 -4.6761 -4.6761 -4.6366 -4.6366 -4.6238 -4.6238 -3.3031 -3.3031 -3.2745 -3.2745 -3.2619 -3.2619 7.9905 7.9905 9.3190 9.3190 9.3361 9.3361 9.8352 9.8352 k = 0.3879-0.2743 0.4751 ( 3240 PWs) bands (ev): -24.6073 -24.6073 -23.7388 -23.7388 -23.7355 -23.7355 -23.7340 -23.7340 -8.1635 -8.1635 -5.9732 -5.9732 -5.9656 -5.9656 -5.8985 -5.8985 -5.1096 -5.1096 -5.0895 -5.0895 -4.6923 -4.6923 -4.6520 -4.6520 -4.6404 -4.6404 -3.2945 -3.2945 -3.2655 -3.2655 -3.2546 -3.2546 8.0879 8.0879 9.2872 9.2872 9.3043 9.3043 9.8014 9.8014 k = 0.3966-0.2804 0.4857 ( 3232 PWs) bands (ev): -24.6031 -24.6031 -23.7403 -23.7403 -23.7370 -23.7370 -23.7357 -23.7357 -8.1672 -8.1672 -5.9559 -5.9559 -5.9484 -5.9484 -5.8892 -5.8892 -5.1181 -5.1181 -5.0993 -5.0993 -4.7079 -4.7079 -4.6668 -4.6668 -4.6564 -4.6564 -3.2865 -3.2865 -3.2571 -3.2571 -3.2478 -3.2478 8.1841 8.1841 9.2576 9.2576 9.2747 9.2747 9.7669 9.7669 k = 0.4052-0.2865 0.4962 ( 3240 PWs) bands (ev): -24.5992 -24.5992 -23.7418 -23.7418 -23.7384 -23.7384 -23.7373 -23.7373 -8.1706 -8.1706 -5.9393 -5.9393 -5.9320 -5.9320 -5.8806 -5.8806 -5.1256 -5.1256 -5.1083 -5.1083 -4.7230 -4.7230 -4.6809 -4.6809 -4.6717 -4.6717 -3.2792 -3.2792 -3.2494 -3.2494 -3.2415 -3.2415 8.2787 8.2787 9.2301 9.2301 9.2473 9.2473 9.7314 9.7314 k = 0.4138-0.2926 0.5068 ( 3248 PWs) bands (ev): -24.5956 -24.5956 -23.7432 -23.7432 -23.7397 -23.7397 -23.7388 -23.7388 -8.1738 -8.1738 -5.9235 -5.9235 -5.9165 -5.9165 -5.8727 -5.8727 -5.1320 -5.1320 -5.1166 -5.1166 -4.7373 -4.7373 -4.6943 -4.6943 -4.6863 -4.6863 -3.2724 -3.2724 -3.2422 -3.2422 -3.2357 -3.2357 8.3716 8.3716 9.2049 9.2049 9.2221 9.2221 9.6947 9.6947 k = 0.4224-0.2987 0.5173 ( 3248 PWs) bands (ev): -24.5922 -24.5922 -23.7444 -23.7444 -23.7409 -23.7409 -23.7402 -23.7402 -8.1766 -8.1766 -5.9087 -5.9087 -5.9020 -5.9020 -5.8655 -5.8655 -5.1376 -5.1376 -5.1242 -5.1242 -4.7508 -4.7508 -4.7068 -4.7068 -4.7000 -4.7000 -3.2663 -3.2663 -3.2357 -3.2357 -3.2304 -3.2304 8.4625 8.4625 9.1820 9.1820 9.1992 9.1992 9.6565 9.6565 k = 0.4310-0.3048 0.5279 ( 3248 PWs) bands (ev): -24.5892 -24.5892 -23.7455 -23.7455 -23.7420 -23.7420 -23.7414 -23.7414 -8.1792 -8.1792 -5.8950 -5.8950 -5.8886 -5.8886 -5.8591 -5.8591 -5.1422 -5.1422 -5.1310 -5.1310 -4.7633 -4.7633 -4.7183 -4.7183 -4.7127 -4.7127 -3.2608 -3.2608 -3.2298 -3.2298 -3.2257 -3.2257 8.5513 8.5513 9.1614 9.1614 9.1787 9.1787 9.6166 9.6166 k = 0.4397-0.3109 0.5385 ( 3256 PWs) bands (ev): -24.5865 -24.5865 -23.7466 -23.7466 -23.7430 -23.7430 -23.7425 -23.7425 -8.1814 -8.1814 -5.8825 -5.8825 -5.8765 -5.8765 -5.8533 -5.8533 -5.1461 -5.1461 -5.1370 -5.1370 -4.7748 -4.7748 -4.7288 -4.7288 -4.7243 -4.7243 -3.2560 -3.2560 -3.2246 -3.2246 -3.2214 -3.2214 8.6376 8.6376 9.1431 9.1431 9.1604 9.1604 9.5747 9.5747 k = 0.4483-0.3170 0.5490 ( 3256 PWs) bands (ev): -24.5842 -24.5842 -23.7474 -23.7474 -23.7438 -23.7438 -23.7435 -23.7435 -8.1834 -8.1834 -5.8713 -5.8713 -5.8659 -5.8659 -5.8482 -5.8482 -5.1492 -5.1492 -5.1422 -5.1422 -4.7851 -4.7851 -4.7381 -4.7381 -4.7346 -4.7346 -3.2518 -3.2518 -3.2201 -3.2201 -3.2177 -3.2177 8.7212 8.7212 9.1273 9.1273 9.1446 9.1446 9.5307 9.5307 k = 0.4569-0.3231 0.5596 ( 3268 PWs) bands (ev): -24.5822 -24.5822 -23.7482 -23.7482 -23.7445 -23.7445 -23.7443 -23.7443 -8.1850 -8.1850 -5.8616 -5.8616 -5.8568 -5.8568 -5.8437 -5.8437 -5.1517 -5.1517 -5.1466 -5.1466 -4.7940 -4.7940 -4.7461 -4.7461 -4.7435 -4.7435 -3.2483 -3.2483 -3.2163 -3.2163 -3.2145 -3.2145 8.8017 8.8017 9.1139 9.1139 9.1311 9.1311 9.4845 9.4845 k = 0.4655-0.3292 0.5701 ( 3276 PWs) bands (ev): -24.5805 -24.5805 -23.7488 -23.7488 -23.7451 -23.7451 -23.7450 -23.7450 -8.1864 -8.1864 -5.8535 -5.8535 -5.8496 -5.8496 -5.8397 -5.8397 -5.1536 -5.1536 -5.1503 -5.1503 -4.8015 -4.8015 -4.7528 -4.7528 -4.7510 -4.7510 -3.2454 -3.2454 -3.2132 -3.2132 -3.2119 -3.2119 8.8784 8.8784 9.1030 9.1030 9.1200 9.1200 9.4364 9.4364 k = 0.4741-0.3353 0.5807 ( 3276 PWs) bands (ev): -24.5792 -24.5792 -23.7493 -23.7493 -23.7456 -23.7456 -23.7455 -23.7455 -8.1875 -8.1875 -5.8471 -5.8471 -5.8443 -5.8443 -5.8361 -5.8361 -5.1550 -5.1550 -5.1531 -5.1531 -4.8074 -4.8074 -4.7581 -4.7581 -4.7570 -4.7570 -3.2432 -3.2432 -3.2107 -3.2107 -3.2099 -3.2099 8.9503 8.9503 9.0946 9.0946 9.1114 9.1114 9.3869 9.3869 k = 0.4828-0.3414 0.5913 ( 3276 PWs) bands (ev): -24.5783 -24.5783 -23.7497 -23.7497 -23.7459 -23.7459 -23.7459 -23.7459 -8.1882 -8.1882 -5.8424 -5.8424 -5.8410 -5.8410 -5.8330 -5.8330 -5.1560 -5.1560 -5.1551 -5.1551 -4.8118 -4.8118 -4.7620 -4.7620 -4.7613 -4.7613 -3.2416 -3.2416 -3.2089 -3.2089 -3.2085 -3.2085 9.0148 9.0148 9.0894 9.0894 9.1053 9.1053 9.3379 9.3379 k = 0.4914-0.3475 0.6018 ( 3276 PWs) bands (ev): -24.5777 -24.5777 -23.7499 -23.7499 -23.7461 -23.7461 -23.7461 -23.7461 -8.1887 -8.1887 -5.8396 -5.8396 -5.8392 -5.8392 -5.8310 -5.8310 -5.1566 -5.1566 -5.1563 -5.1563 -4.8144 -4.8144 -4.7642 -4.7642 -4.7639 -4.7639 -3.2406 -3.2406 -3.2078 -3.2078 -3.2076 -3.2076 9.0625 9.0625 9.0905 9.0905 9.1016 9.1016 9.2953 9.2953 k = 0.5000-0.3536 0.6124 ( 3252 PWs) bands (ev): -24.5775 -24.5775 -23.7499 -23.7499 -23.7462 -23.7462 -23.7462 -23.7462 -8.1888 -8.1888 -5.8386 -5.8386 -5.8386 -5.8386 -5.8302 -5.8302 -5.1567 -5.1567 -5.1567 -5.1567 -4.8152 -4.8152 -4.7649 -4.7649 -4.7649 -4.7649 -3.2403 -3.2403 -3.2074 -3.2074 -3.2074 -3.2074 9.0742 9.0742 9.1004 9.1004 9.1004 9.1004 9.2758 9.2758 k = 0.5000-0.3536 0.6124 ( 3252 PWs) bands (ev): -24.5775 -24.5775 -23.7499 -23.7499 -23.7462 -23.7462 -23.7462 -23.7462 -8.1888 -8.1888 -5.8386 -5.8386 -5.8386 -5.8386 -5.8302 -5.8302 -5.1567 -5.1567 -5.1567 -5.1567 -4.8152 -4.8152 -4.7649 -4.7649 -4.7649 -4.7649 -3.2403 -3.2403 -3.2074 -3.2074 -3.2074 -3.2074 9.0742 9.0742 9.1004 9.1004 9.1004 9.1004 9.2758 9.2758 k = 0.4878-0.3449 0.6124 ( 3264 PWs) bands (ev): -24.5777 -24.5777 -23.7499 -23.7499 -23.7462 -23.7462 -23.7461 -23.7461 -8.1887 -8.1887 -5.8398 -5.8398 -5.8390 -5.8389 -5.8309 -5.8309 -5.1565 -5.1565 -5.1564 -5.1564 -4.8144 -4.8144 -4.7646 -4.7642 -4.7638 -4.7637 -3.2406 -3.2406 -3.2079 -3.2077 -3.2077 -3.2076 9.0640 9.0640 9.0899 9.0900 9.1003 9.1005 9.2956 9.2956 k = 0.4756-0.3363 0.6124 ( 3272 PWs) bands (ev): -24.5783 -24.5783 -23.7497 -23.7497 -23.7461 -23.7461 -23.7457 -23.7457 -8.1882 -8.1882 -5.8435 -5.8433 -5.8406 -5.8405 -5.8325 -5.8325 -5.1558 -5.1558 -5.1553 -5.1553 -4.8118 -4.8118 -4.7633 -4.7626 -4.7603 -4.7601 -3.2416 -3.2416 -3.2093 -3.2088 -3.2084 -3.2083 9.0228 9.0229 9.0828 9.0829 9.1013 9.1018 9.3400 9.3401 k = 0.4634-0.3277 0.6124 ( 3276 PWs) bands (ev): -24.5792 -24.5792 -23.7494 -23.7494 -23.7459 -23.7459 -23.7451 -23.7451 -8.1875 -8.1875 -5.8497 -5.8492 -5.8442 -5.8442 -5.8338 -5.8338 -5.1547 -5.1546 -5.1535 -5.1535 -4.8079 -4.8078 -4.7610 -4.7599 -4.7545 -4.7543 -3.2432 -3.2432 -3.2115 -3.2108 -3.2095 -3.2094 8.9673 8.9674 9.0766 9.0770 9.1054 9.1060 9.3933 9.3934 k = 0.4512-0.3191 0.6124 ( 3276 PWs) bands (ev): -24.5805 -24.5805 -23.7491 -23.7491 -23.7457 -23.7457 -23.7442 -23.7442 -8.1864 -8.1864 -5.8586 -5.8577 -5.8503 -5.8500 -5.8344 -5.8342 -5.1531 -5.1530 -5.1510 -5.1509 -4.8028 -4.8026 -4.7575 -4.7559 -4.7463 -4.7461 -3.2455 -3.2455 -3.2145 -3.2135 -3.2111 -3.2109 8.9070 8.9071 9.0677 9.0682 9.1127 9.1134 9.4493 9.4495 k = 0.4390-0.3104 0.6124 ( 3272 PWs) bands (ev): -24.5821 -24.5821 -23.7489 -23.7489 -23.7453 -23.7453 -23.7430 -23.7430 -8.1850 -8.1850 -5.8699 -5.8688 -5.8582 -5.8576 -5.8345 -5.8343 -5.1510 -5.1508 -5.1476 -5.1475 -4.7970 -4.7966 -4.7526 -4.7507 -4.7357 -4.7357 -3.2486 -3.2485 -3.2182 -3.2170 -3.2131 -3.2128 8.8445 8.8445 9.0559 9.0566 9.1230 9.1238 9.5061 9.5063 k = 0.4268-0.3018 0.6124 ( 3264 PWs) bands (ev): -24.5841 -24.5841 -23.7487 -23.7487 -23.7448 -23.7447 -23.7415 -23.7414 -8.1834 -8.1834 -5.8837 -5.8823 -5.8676 -5.8667 -5.8344 -5.8341 -5.1484 -5.1482 -5.1434 -5.1432 -4.7909 -4.7903 -4.7463 -4.7440 -4.7231 -4.7229 -3.2523 -3.2523 -3.2227 -3.2212 -3.2153 -3.2150 8.7809 8.7810 9.0417 9.0426 9.1359 9.1368 9.5625 9.5629 k = 0.4146-0.2932 0.6124 ( 3260 PWs) bands (ev): -24.5864 -24.5864 -23.7486 -23.7485 -23.7441 -23.7440 -23.7397 -23.7396 -8.1814 -8.1814 -5.8996 -5.8980 -5.8782 -5.8772 -5.8341 -5.8337 -5.1454 -5.1452 -5.1384 -5.1381 -4.7849 -4.7840 -4.7385 -4.7357 -4.7084 -4.7080 -3.2569 -3.2568 -3.2279 -3.2262 -3.2179 -3.2176 8.7168 8.7168 9.0253 9.0263 9.1513 9.1523 9.6183 9.6188 k = 0.4024-0.2846 0.6124 ( 3250 PWs) bands (ev): -24.5889 -24.5889 -23.7485 -23.7485 -23.7432 -23.7431 -23.7377 -23.7375 -8.1792 -8.1792 -5.9174 -5.9157 -5.8899 -5.8887 -5.8338 -5.8333 -5.1419 -5.1417 -5.1324 -5.1321 -4.7790 -4.7778 -4.7292 -4.7260 -4.6919 -4.6912 -3.2623 -3.2622 -3.2337 -3.2318 -3.2208 -3.2204 8.6525 8.6525 9.0070 9.0082 9.1689 9.1700 9.6730 9.6736 k = 0.3902-0.2759 0.6124 ( 3250 PWs) bands (ev): -24.5918 -24.5918 -23.7486 -23.7485 -23.7422 -23.7421 -23.7354 -23.7352 -8.1766 -8.1766 -5.9371 -5.9353 -5.9025 -5.9012 -5.8334 -5.8328 -5.1380 -5.1377 -5.1256 -5.1253 -4.7732 -4.7718 -4.7186 -4.7150 -4.6736 -4.6726 -3.2685 -3.2683 -3.2402 -3.2381 -3.2239 -3.2235 8.5883 8.5883 8.9871 8.9883 9.1888 9.1900 9.7266 9.7273 k = 0.3780-0.2673 0.6124 ( 3236 PWs) bands (ev): -24.5949 -24.5949 -23.7486 -23.7486 -23.7411 -23.7409 -23.7329 -23.7327 -8.1738 -8.1738 -5.9584 -5.9566 -5.9158 -5.9144 -5.8329 -5.8323 -5.1337 -5.1333 -5.1179 -5.1175 -4.7677 -4.7659 -4.7069 -4.7028 -4.6539 -4.6525 -3.2756 -3.2753 -3.2472 -3.2449 -3.2272 -3.2268 8.5244 8.5244 8.9657 8.9671 9.2107 9.2120 9.7789 9.7798 k = 0.3659-0.2587 0.6124 ( 3234 PWs) bands (ev): -24.5983 -24.5983 -23.7487 -23.7487 -23.7398 -23.7397 -23.7301 -23.7300 -8.1706 -8.1706 -5.9812 -5.9793 -5.9296 -5.9283 -5.8323 -5.8316 -5.1289 -5.1284 -5.1094 -5.1088 -4.7621 -4.7600 -4.6943 -4.6898 -4.6328 -4.6312 -3.2836 -3.2832 -3.2547 -3.2522 -3.2307 -3.2303 8.4608 8.4609 8.9432 8.9446 9.2347 9.2361 9.8298 9.8309 k = 0.3537-0.2501 0.6124 ( 3236 PWs) bands (ev): -24.6018 -24.6018 -23.7489 -23.7488 -23.7385 -23.7383 -23.7273 -23.7271 -8.1672 -8.1672 -6.0052 -6.0033 -5.9440 -5.9426 -5.8317 -5.8310 -5.1238 -5.1232 -5.0999 -5.0993 -4.7566 -4.7542 -4.6810 -4.6761 -4.6108 -4.6089 -3.2924 -3.2919 -3.2626 -3.2600 -3.2344 -3.2340 8.3979 8.3980 8.9198 8.9212 9.2605 9.2621 9.8794 9.8806 k = 0.3415-0.2415 0.6124 ( 3228 PWs) bands (ev): -24.6056 -24.6056 -23.7490 -23.7490 -23.7371 -23.7369 -23.7243 -23.7240 -8.1635 -8.1635 -6.0303 -6.0284 -5.9586 -5.9572 -5.8310 -5.8303 -5.1182 -5.1176 -5.0897 -5.0890 -4.7510 -4.7483 -4.6672 -4.6619 -4.5880 -4.5857 -3.3021 -3.3015 -3.2709 -3.2682 -3.2383 -3.2379 8.3358 8.3358 8.8956 8.8970 9.2882 9.2898 9.9276 9.9290 k = 0.3293-0.2328 0.6124 ( 3220 PWs) bands (ev): -24.6095 -24.6095 -23.7492 -23.7492 -23.7356 -23.7354 -23.7211 -23.7209 -8.1596 -8.1596 -6.0563 -6.0544 -5.9734 -5.9720 -5.8303 -5.8295 -5.1123 -5.1116 -5.0786 -5.0778 -4.7454 -4.7424 -4.6530 -4.6473 -4.5645 -4.5619 -3.3125 -3.3118 -3.2795 -3.2767 -3.2423 -3.2419 8.2745 8.2746 8.8708 8.8723 9.3175 9.3192 9.9744 9.9760 k = 0.3171-0.2242 0.6124 ( 3216 PWs) bands (ev): -24.6135 -24.6135 -23.7494 -23.7493 -23.7340 -23.7338 -23.7179 -23.7176 -8.1553 -8.1553 -6.0830 -6.0812 -5.9882 -5.9869 -5.8295 -5.8287 -5.1061 -5.1053 -5.0669 -5.0660 -4.7397 -4.7364 -4.6387 -4.6325 -4.5406 -4.5378 -3.3238 -3.3230 -3.2884 -3.2855 -3.2465 -3.2461 8.2142 8.2143 8.8457 8.8471 9.3483 9.3501 10.0200 10.0218 k = 0.3049-0.2156 0.6124 ( 3232 PWs) bands (ev): -24.6177 -24.6177 -23.7496 -23.7496 -23.7324 -23.7322 -23.7146 -23.7143 -8.1509 -8.1509 -6.1103 -6.1086 -6.0031 -6.0018 -5.8288 -5.8279 -5.0996 -5.0986 -5.0544 -5.0534 -4.7339 -4.7304 -4.6242 -4.6176 -4.5165 -4.5134 -3.3358 -3.3348 -3.2975 -3.2946 -3.2509 -3.2505 8.1551 8.1552 8.8204 8.8218 9.3805 9.3824 10.0644 10.0664 k = 0.2927-0.2070 0.6124 ( 3232 PWs) bands (ev): -24.6219 -24.6219 -23.7498 -23.7498 -23.7307 -23.7305 -23.7112 -23.7109 -8.1462 -8.1461 -6.1381 -6.1365 -6.0177 -6.0165 -5.8279 -5.8271 -5.0927 -5.0917 -5.0414 -5.0402 -4.7280 -4.7243 -4.6096 -4.6027 -4.4923 -4.4889 -3.3484 -3.3473 -3.3068 -3.3038 -3.2554 -3.2550 8.0972 8.0974 8.7950 8.7964 9.4139 9.4158 10.1076 10.1098 k = 0.2805-0.1983 0.6124 ( 3224 PWs) bands (ev): -24.6261 -24.6261 -23.7500 -23.7500 -23.7290 -23.7287 -23.7078 -23.7075 -8.1412 -8.1412 -6.1661 -6.1646 -6.0322 -6.0310 -5.8271 -5.8262 -5.0856 -5.0844 -5.0277 -5.0265 -4.7222 -4.7182 -4.5951 -4.5877 -4.4682 -4.4645 -3.3616 -3.3604 -3.3162 -3.3132 -3.2599 -3.2596 8.0407 8.0409 8.7698 8.7712 9.4483 9.4504 10.1498 10.1522 k = 0.2683-0.1897 0.6124 ( 3220 PWs) bands (ev): -24.6305 -24.6304 -23.7502 -23.7502 -23.7272 -23.7269 -23.7044 -23.7041 -8.1361 -8.1360 -6.1942 -6.1928 -6.0463 -6.0452 -5.8262 -5.8253 -5.0782 -5.0770 -5.0136 -5.0123 -4.7163 -4.7122 -4.5806 -4.5729 -4.4444 -4.4404 -3.3754 -3.3741 -3.3257 -3.3227 -3.2646 -3.2643 7.9857 7.9859 8.7448 8.7461 9.4836 9.4857 10.1910 10.1936 k = 0.2561-0.1811 0.6124 ( 3220 PWs) bands (ev): -24.6348 -24.6347 -23.7504 -23.7504 -23.7254 -23.7251 -23.7010 -23.7007 -8.1307 -8.1307 -6.2224 -6.2211 -6.0601 -6.0590 -5.8253 -5.8245 -5.0707 -5.0693 -4.9991 -4.9976 -4.7105 -4.7062 -4.5663 -4.5583 -4.4208 -4.4166 -3.3895 -3.3882 -3.3353 -3.3322 -3.2694 -3.2691 7.9323 7.9324 8.7201 8.7214 9.5196 9.5218 10.2314 10.2341 k = 0.2439-0.1725 0.6124 ( 3220 PWs) bands (ev): -24.6390 -24.6390 -23.7507 -23.7507 -23.7236 -23.7233 -23.6976 -23.6974 -8.1252 -8.1251 -6.2504 -6.2492 -6.0735 -6.0724 -5.8244 -5.8236 -5.0629 -5.0615 -4.9842 -4.9827 -4.7048 -4.7003 -4.5523 -4.5438 -4.3978 -4.3933 -3.4041 -3.4027 -3.3448 -3.3417 -3.2742 -3.2740 7.8805 7.8807 8.6959 8.6972 9.5560 9.5583 10.2709 10.2737 k = 0.2317-0.1638 0.6124 ( 3214 PWs) bands (ev): -24.6433 -24.6433 -23.7509 -23.7509 -23.7218 -23.7215 -23.6943 -23.6940 -8.1195 -8.1194 -6.2781 -6.2770 -6.0864 -6.0854 -5.8235 -5.8227 -5.0551 -5.0535 -4.9691 -4.9675 -4.6991 -4.6945 -4.5384 -4.5296 -4.3754 -4.3706 -3.4189 -3.4175 -3.3543 -3.3512 -3.2791 -3.2789 7.8306 7.8308 8.6724 8.6736 9.5928 9.5951 10.3095 10.3126 k = 0.2195-0.1552 0.6124 ( 3214 PWs) bands (ev): -24.6474 -24.6474 -23.7511 -23.7511 -23.7200 -23.7197 -23.6911 -23.6908 -8.1137 -8.1137 -6.3055 -6.3044 -6.0988 -6.0979 -5.8226 -5.8218 -5.0471 -5.0454 -4.9539 -4.9521 -4.6936 -4.6890 -4.5248 -4.5157 -4.3537 -4.3486 -3.4340 -3.4325 -3.3636 -3.3605 -3.2840 -3.2838 7.7826 7.7828 8.6495 8.6506 9.6296 9.6319 10.3474 10.3506 k = 0.2073-0.1466 0.6124 ( 3214 PWs) bands (ev): -24.6515 -24.6515 -23.7513 -23.7513 -23.7182 -23.7179 -23.6879 -23.6876 -8.1079 -8.1078 -6.3322 -6.3312 -6.1107 -6.1098 -5.8217 -5.8209 -5.0391 -5.0373 -4.9385 -4.9366 -4.6883 -4.6836 -4.5115 -4.5021 -4.3328 -4.3275 -3.4491 -3.4476 -3.3728 -3.3697 -3.2889 -3.2888 7.7366 7.7368 8.6273 8.6284 9.6662 9.6685 10.3845 10.3878 k = 0.1951-0.1380 0.6124 ( 3208 PWs) bands (ev): -24.6554 -24.6554 -23.7515 -23.7515 -23.7164 -23.7162 -23.6849 -23.6846 -8.1019 -8.1019 -6.3584 -6.3574 -6.1220 -6.1211 -5.8208 -5.8201 -5.0311 -5.0292 -4.9232 -4.9212 -4.6832 -4.6784 -4.4985 -4.4889 -4.3129 -4.3073 -3.4643 -3.4628 -3.3817 -3.3787 -3.2938 -3.2937 7.6927 7.6929 8.6060 8.6071 9.7024 9.7047 10.4206 10.4240 k = 0.1829-0.1293 0.6124 ( 3218 PWs) bands (ev): -24.6593 -24.6593 -23.7518 -23.7518 -23.7147 -23.7145 -23.6819 -23.6817 -8.0960 -8.0959 -6.3837 -6.3829 -6.1327 -6.1319 -5.8200 -5.8193 -5.0231 -5.0212 -4.9080 -4.9060 -4.6783 -4.6735 -4.4858 -4.4761 -4.2939 -4.2881 -3.4794 -3.4779 -3.3904 -3.3874 -3.2986 -3.2985 7.6510 7.6512 8.5857 8.5867 9.7380 9.7403 10.4558 10.4593 k = 0.1707-0.1207 0.6124 ( 3222 PWs) bands (ev): -24.6629 -24.6629 -23.7520 -23.7520 -23.7131 -23.7128 -23.6791 -23.6789 -8.0901 -8.0900 -6.4082 -6.4074 -6.1427 -6.1420 -5.8191 -5.8185 -5.0152 -5.0133 -4.8931 -4.8910 -4.6737 -4.6689 -4.4735 -4.4636 -4.2761 -4.2701 -3.4942 -3.4928 -3.3987 -3.3958 -3.3033 -3.3033 7.6115 7.6117 8.5663 8.5673 9.7727 9.7750 10.4897 10.4934 k = 0.1585-0.1121 0.6124 ( 3222 PWs) bands (ev): -24.6664 -24.6664 -23.7522 -23.7522 -23.7115 -23.7112 -23.6765 -23.6762 -8.0843 -8.0842 -6.4316 -6.4309 -6.1521 -6.1515 -5.8183 -5.8177 -5.0074 -5.0055 -4.8785 -4.8764 -4.6694 -4.6647 -4.4616 -4.4516 -4.2594 -4.2533 -3.5088 -3.5075 -3.4067 -3.4039 -3.3079 -3.3079 7.5744 7.5746 8.5480 8.5489 9.8063 9.8085 10.5224 10.5261 k = 0.1463-0.1035 0.6124 ( 3212 PWs) bands (ev): -24.6697 -24.6697 -23.7524 -23.7524 -23.7099 -23.7097 -23.6740 -23.6737 -8.0786 -8.0785 -6.4538 -6.4532 -6.1609 -6.1603 -5.8175 -5.8169 -4.9999 -4.9980 -4.8644 -4.8623 -4.6653 -4.6607 -4.4500 -4.4401 -4.2440 -4.2377 -3.5229 -3.5217 -3.4142 -3.4115 -3.3124 -3.3124 7.5398 7.5400 8.5309 8.5317 9.8386 9.8408 10.5535 10.5572 k = 0.1341-0.0949 0.6124 ( 3210 PWs) bands (ev): -24.6728 -24.6728 -23.7525 -23.7525 -23.7085 -23.7082 -23.6716 -23.6714 -8.0731 -8.0730 -6.4748 -6.4742 -6.1690 -6.1685 -5.8168 -5.8162 -4.9926 -4.9907 -4.8509 -4.8488 -4.6616 -4.6572 -4.4389 -4.4291 -4.2298 -4.2235 -3.5365 -3.5354 -3.4213 -3.4187 -3.3166 -3.3166 7.5076 7.5078 8.5149 8.5156 9.8693 9.8714 10.5828 10.5864 k = 0.1220-0.0862 0.6124 ( 3210 PWs) bands (ev): -24.6756 -24.6756 -23.7527 -23.7527 -23.7071 -23.7069 -23.6695 -23.6693 -8.0678 -8.0678 -6.4944 -6.4939 -6.1764 -6.1759 -5.8161 -5.8156 -4.9856 -4.9838 -4.8380 -4.8360 -4.6582 -4.6540 -4.4283 -4.4187 -4.2169 -4.2107 -3.5495 -3.5484 -3.4278 -3.4254 -3.3207 -3.3207 7.4780 7.4782 8.5001 8.5008 9.8983 9.9003 10.6100 10.6135 k = 0.1098-0.0776 0.6124 ( 3198 PWs) bands (ev): -24.6783 -24.6783 -23.7528 -23.7528 -23.7058 -23.7056 -23.6675 -23.6673 -8.0628 -8.0627 -6.5125 -6.5121 -6.1831 -6.1827 -5.8154 -5.8150 -4.9790 -4.9773 -4.8260 -4.8240 -4.6552 -4.6512 -4.4182 -4.4089 -4.2054 -4.1993 -3.5616 -3.5606 -3.4338 -3.4316 -3.3244 -3.3244 7.4511 7.4512 8.4867 8.4873 9.9253 9.9271 10.6350 10.6383 k = 0.0976-0.0690 0.6124 ( 3190 PWs) bands (ev): -24.6807 -24.6807 -23.7530 -23.7530 -23.7046 -23.7044 -23.6657 -23.6655 -8.0582 -8.0581 -6.5290 -6.5287 -6.1891 -6.1887 -5.8148 -5.8144 -4.9729 -4.9712 -4.8149 -4.8129 -4.6524 -4.6487 -4.4087 -4.3999 -4.1952 -4.1892 -3.5728 -3.5720 -3.4393 -3.4372 -3.3279 -3.3279 7.4268 7.4269 8.4745 8.4750 9.9500 9.9518 10.6574 10.6606 k = 0.0854-0.0604 0.6124 ( 3194 PWs) bands (ev): -24.6828 -24.6828 -23.7531 -23.7531 -23.7036 -23.7034 -23.6641 -23.6640 -8.0539 -8.0539 -6.5439 -6.5436 -6.1945 -6.1941 -5.8143 -5.8139 -4.9673 -4.9658 -4.8047 -4.8030 -4.6500 -4.6467 -4.3999 -4.3917 -4.1863 -4.1807 -3.5830 -3.5823 -3.4441 -3.4422 -3.3311 -3.3311 7.4052 7.4054 8.4637 8.4641 9.9724 9.9740 10.6772 10.6801 k = 0.0732-0.0517 0.6124 ( 3192 PWs) bands (ev): -24.6847 -24.6847 -23.7532 -23.7532 -23.7027 -23.7025 -23.6627 -23.6626 -8.0501 -8.0501 -6.5569 -6.5567 -6.1991 -6.1988 -5.8138 -5.8135 -4.9623 -4.9609 -4.7957 -4.7941 -4.6479 -4.6450 -4.3918 -4.3844 -4.1787 -4.1735 -3.5921 -3.5915 -3.4483 -3.4466 -3.3339 -3.3339 7.3865 7.3866 8.4542 8.4546 9.9923 9.9937 10.6943 10.6968 k = 0.0610-0.0431 0.6124 ( 3186 PWs) bands (ev): -24.6862 -24.6862 -23.7533 -23.7533 -23.7019 -23.7017 -23.6615 -23.6614 -8.0468 -8.0467 -6.5681 -6.5679 -6.2030 -6.2027 -5.8134 -5.8131 -4.9579 -4.9567 -4.7879 -4.7865 -4.6461 -4.6436 -4.3846 -4.3781 -4.1723 -4.1677 -3.5999 -3.5995 -3.4519 -3.4504 -3.3364 -3.3363 7.3705 7.3706 8.4462 8.4465 10.0094 10.0106 10.7086 10.7108 k = 0.0488-0.0345 0.6124 ( 3182 PWs) bands (ev): -24.6876 -24.6876 -23.7534 -23.7534 -23.7012 -23.7011 -23.6605 -23.6604 -8.0440 -8.0440 -6.5774 -6.5772 -6.2062 -6.2060 -5.8131 -5.8128 -4.9542 -4.9532 -4.7814 -4.7802 -4.6446 -4.6425 -4.3783 -4.3729 -4.1671 -4.1632 -3.6064 -3.6061 -3.4548 -3.4536 -3.3384 -3.3384 7.3575 7.3575 8.4396 8.4399 10.0237 10.0246 10.7202 10.7220 k = 0.0366-0.0259 0.6124 ( 3194 PWs) bands (ev): -24.6886 -24.6886 -23.7535 -23.7535 -23.7007 -23.7006 -23.6598 -23.6597 -8.0418 -8.0418 -6.5847 -6.5846 -6.2086 -6.2085 -5.8128 -5.8126 -4.9512 -4.9504 -4.7762 -4.7753 -4.6434 -4.6418 -4.3732 -4.3689 -4.1630 -4.1600 -3.6116 -3.6114 -3.4570 -3.4561 -3.3400 -3.3400 7.3473 7.3473 8.4345 8.4347 10.0349 10.0357 10.7292 10.7305 k = 0.0244-0.0172 0.6124 ( 3188 PWs) bands (ev): -24.6893 -24.6893 -23.7535 -23.7535 -23.7003 -23.7003 -23.6592 -23.6592 -8.0402 -8.0402 -6.5899 -6.5898 -6.2104 -6.2103 -5.8126 -5.8125 -4.9490 -4.9485 -4.7724 -4.7718 -4.6425 -4.6414 -4.3692 -4.3663 -4.1600 -4.1579 -3.6153 -3.6152 -3.4586 -3.4580 -3.3412 -3.3411 7.3400 7.3400 8.4308 8.4309 10.0431 10.0436 10.7355 10.7365 k = 0.0122-0.0086 0.6124 ( 3202 PWs) bands (ev): -24.6898 -24.6898 -23.7535 -23.7535 -23.7001 -23.7000 -23.6589 -23.6589 -8.0392 -8.0392 -6.5930 -6.5930 -6.2115 -6.2114 -5.8125 -5.8124 -4.9477 -4.9474 -4.7700 -4.7697 -4.6418 -4.6413 -4.3664 -4.3649 -4.1580 -4.1569 -3.6175 -3.6175 -3.4595 -3.4592 -3.3419 -3.3419 7.3356 7.3356 8.4286 8.4287 10.0481 10.0483 10.7394 10.7399 k = 0.0000 0.0000 0.6124 ( 3208 PWs) bands (ev): -24.6900 -24.6900 -23.7536 -23.7536 -23.7000 -23.7000 -23.6588 -23.6588 -8.0389 -8.0389 -6.5941 -6.5941 -6.2118 -6.2118 -5.8124 -5.8124 -4.9471 -4.9471 -4.7692 -4.7692 -4.6414 -4.6414 -4.3650 -4.3650 -4.1569 -4.1569 -3.6183 -3.6183 -3.4597 -3.4597 -3.3421 -3.3421 7.3341 7.3341 8.4279 8.4279 10.0498 10.0498 10.7409 10.7409 k = 0.0000 0.0000 0.6124 ( 3208 PWs) bands (ev): -24.6900 -24.6900 -23.7536 -23.7536 -23.7000 -23.7000 -23.6588 -23.6588 -8.0389 -8.0389 -6.5941 -6.5941 -6.2118 -6.2118 -5.8124 -5.8124 -4.9471 -4.9471 -4.7692 -4.7692 -4.6414 -4.6414 -4.3650 -4.3650 -4.1569 -4.1569 -3.6183 -3.6183 -3.4597 -3.4597 -3.3421 -3.3421 7.3341 7.3341 8.4279 8.4279 10.0498 10.0498 10.7409 10.7409 k = 0.0000 0.0000 0.5974 ( 3208 PWs) bands (ev): -24.6901 -24.6901 -23.7534 -23.7534 -23.6999 -23.6999 -23.6588 -23.6588 -8.0387 -8.0387 -6.5940 -6.5940 -6.2126 -6.2126 -5.8135 -5.8133 -4.9459 -4.9457 -4.7688 -4.7684 -4.6413 -4.6410 -4.3645 -4.3645 -4.1569 -4.1568 -3.6185 -3.6184 -3.4602 -3.4599 -3.3427 -3.3424 7.3226 7.3227 8.4397 8.4399 10.0509 10.0513 10.7412 10.7414 k = 0.0000 0.0000 0.5825 ( 3202 PWs) bands (ev): -24.6907 -24.6907 -23.7529 -23.7529 -23.6998 -23.6997 -23.6588 -23.6588 -8.0382 -8.0382 -6.5938 -6.5937 -6.2149 -6.2149 -5.8167 -5.8163 -4.9420 -4.9418 -4.7674 -4.7666 -4.6406 -4.6399 -4.3631 -4.3630 -4.1567 -4.1566 -3.6191 -3.6189 -3.4617 -3.4610 -3.3442 -3.3437 7.2895 7.2897 8.4739 8.4743 10.0545 10.0553 10.7424 10.7427 k = 0.0000 0.0000 0.5676 ( 3202 PWs) bands (ev): -24.6917 -24.6917 -23.7521 -23.7520 -23.6995 -23.6994 -23.6588 -23.6588 -8.0374 -8.0373 -6.5934 -6.5932 -6.2187 -6.2187 -5.8220 -5.8214 -4.9356 -4.9352 -4.7648 -4.7637 -4.6393 -4.6384 -4.3608 -4.3606 -4.1563 -4.1562 -3.6202 -3.6198 -3.4639 -3.4629 -3.3466 -3.3458 7.2384 7.2388 8.5270 8.5275 10.0606 10.0619 10.7444 10.7448 k = 0.0000 0.0000 0.5526 ( 3198 PWs) bands (ev): -24.6931 -24.6931 -23.7509 -23.7509 -23.6991 -23.6990 -23.6587 -23.6587 -8.0362 -8.0361 -6.5929 -6.5926 -6.2239 -6.2239 -5.8293 -5.8284 -4.9267 -4.9262 -4.7612 -4.7598 -4.6374 -4.6362 -4.3575 -4.3573 -4.1558 -4.1556 -3.6215 -3.6211 -3.4671 -3.4657 -3.3499 -3.3489 7.1736 7.1740 8.5947 8.5953 10.0693 10.0710 10.7472 10.7478 k = 0.0000 0.0000 0.5377 ( 3200 PWs) bands (ev): -24.6948 -24.6948 -23.7495 -23.7494 -23.6986 -23.6985 -23.6587 -23.6587 -8.0346 -8.0346 -6.5922 -6.5918 -6.2305 -6.2304 -5.8385 -5.8375 -4.9154 -4.9147 -4.7565 -4.7548 -4.6350 -4.6335 -4.3534 -4.3532 -4.1551 -4.1549 -3.6233 -3.6227 -3.4710 -3.4693 -3.3542 -3.3528 7.0988 7.0993 8.6731 8.6738 10.0804 10.0826 10.7507 10.7515 k = 0.0000 0.0000 0.5228 ( 3198 PWs) bands (ev): -24.6969 -24.6969 -23.7478 -23.7476 -23.6979 -23.6978 -23.6587 -23.6587 -8.0327 -8.0326 -6.5913 -6.5909 -6.2382 -6.2381 -5.8497 -5.8486 -4.9018 -4.9009 -4.7508 -4.7489 -4.6321 -4.6302 -4.3484 -4.3482 -4.1543 -4.1541 -3.6254 -3.6247 -3.4757 -3.4737 -3.3593 -3.3577 7.0171 7.0176 8.7593 8.7600 10.0940 10.0966 10.7550 10.7560 k = 0.0000 0.0000 0.5078 ( 3196 PWs) bands (ev): -24.6993 -24.6993 -23.7457 -23.7456 -23.6972 -23.6970 -23.6586 -23.6586 -8.0304 -8.0304 -6.5903 -6.5898 -6.2470 -6.2469 -5.8628 -5.8615 -4.8860 -4.8849 -4.7440 -4.7420 -4.6285 -4.6264 -4.3426 -4.3425 -4.1533 -4.1531 -3.6279 -3.6271 -3.4812 -3.4788 -3.3653 -3.3634 6.9306 6.9311 8.8510 8.8517 10.1099 10.1130 10.7600 10.7611 k = 0.0000 0.0000 0.4929 ( 3200 PWs) bands (ev): -24.7020 -24.7020 -23.7435 -23.7433 -23.6963 -23.6962 -23.6586 -23.6586 -8.0278 -8.0277 -6.5892 -6.5886 -6.2567 -6.2566 -5.8777 -5.8763 -4.8682 -4.8668 -4.7363 -4.7343 -4.6245 -4.6221 -4.3362 -4.3360 -4.1522 -4.1520 -3.6308 -3.6298 -3.4875 -3.4848 -3.3722 -3.3700 6.8410 6.8415 8.9465 8.9471 10.1282 10.1317 10.7657 10.7669 k = 0.0000 0.0000 0.4779 ( 3196 PWs) bands (ev): -24.7050 -24.7050 -23.7409 -23.7407 -23.6954 -23.6952 -23.6585 -23.6585 -8.0248 -8.0247 -6.5879 -6.5873 -6.2672 -6.2670 -5.8943 -5.8928 -4.8487 -4.8469 -4.7274 -4.7255 -4.6199 -4.6172 -4.3291 -4.3290 -4.1510 -4.1507 -3.6340 -3.6329 -3.4945 -3.4914 -3.3799 -3.3775 6.7495 6.7499 9.0445 9.0451 10.1487 10.1527 10.7719 10.7732 k = 0.0000 0.0000 0.4630 ( 3192 PWs) bands (ev): -24.7083 -24.7083 -23.7382 -23.7380 -23.6943 -23.6941 -23.6585 -23.6585 -8.0214 -8.0214 -6.5864 -6.5858 -6.2784 -6.2782 -5.9125 -5.9110 -4.8276 -4.8254 -4.7174 -4.7158 -4.6148 -4.6118 -4.3214 -4.3214 -4.1496 -4.1493 -3.6375 -3.6363 -3.5021 -3.4988 -3.3884 -3.3858 6.6569 6.6573 9.1442 9.1447 10.1713 10.1758 10.7787 10.7801 k = 0.0000 0.0000 0.4481 ( 3208 PWs) bands (ev): -24.7119 -24.7119 -23.7352 -23.7350 -23.6932 -23.6930 -23.6584 -23.6584 -8.0177 -8.0177 -6.5849 -6.5842 -6.2901 -6.2899 -5.9322 -5.9307 -4.8054 -4.8026 -4.7063 -4.7051 -4.6092 -4.6059 -4.3133 -4.3132 -4.1481 -4.1478 -3.6414 -3.6400 -3.5105 -3.5068 -3.3978 -3.3949 6.5638 6.5642 9.2447 9.2451 10.1960 10.2009 10.7860 10.7875 k = 0.0000 0.0000 0.4331 ( 3210 PWs) bands (ev): -24.7157 -24.7157 -23.7321 -23.7318 -23.6920 -23.6917 -23.6584 -23.6584 -8.0137 -8.0136 -6.5832 -6.5824 -6.3021 -6.3019 -5.9533 -5.9517 -4.7825 -4.7787 -4.6936 -4.6932 -4.6030 -4.5996 -4.3048 -4.3046 -4.1465 -4.1461 -3.6456 -3.6441 -3.5195 -3.5154 -3.4079 -3.4048 6.4709 6.4713 9.3454 9.3457 10.2226 10.2279 10.7936 10.7952 k = 0.0000 0.0000 0.4182 ( 3202 PWs) bands (ev): -24.7197 -24.7197 -23.7288 -23.7285 -23.6907 -23.6904 -23.6583 -23.6583 -8.0092 -8.0091 -6.5814 -6.5806 -6.3145 -6.3142 -5.9756 -5.9740 -4.7593 -4.7545 -4.6798 -4.6792 -4.5964 -4.5927 -4.2960 -4.2956 -4.1447 -4.1443 -3.6501 -3.6485 -3.5290 -3.5246 -3.4188 -3.4155 6.3785 6.3789 9.4458 9.4460 10.2509 10.2568 10.8017 10.8034 k = 0.0000 0.0000 0.4033 ( 3202 PWs) bands (ev): -24.7238 -24.7238 -23.7253 -23.7251 -23.6893 -23.6890 -23.6582 -23.6582 -8.0044 -8.0043 -6.5795 -6.5786 -6.3270 -6.3267 -5.9989 -5.9974 -4.7366 -4.7304 -4.6645 -4.6627 -4.5894 -4.5854 -4.2870 -4.2864 -4.1428 -4.1424 -3.6550 -3.6532 -3.5391 -3.5344 -3.4304 -3.4269 6.2870 6.2874 9.5455 9.5455 10.2810 10.2872 10.8100 10.8117 k = 0.0000 0.0000 0.3883 ( 3202 PWs) bands (ev): -24.7281 -24.7281 -23.7218 -23.7215 -23.6878 -23.6875 -23.6582 -23.6581 -7.9992 -7.9991 -6.5775 -6.5766 -6.3396 -6.3393 -6.0233 -6.0218 -4.7149 -4.7075 -4.6467 -4.6435 -4.5818 -4.5777 -4.2777 -4.2769 -4.1408 -4.1404 -3.6601 -3.6581 -3.5496 -3.5447 -3.4427 -3.4390 6.1967 6.1970 9.6438 9.6440 10.3125 10.3192 10.8185 10.8203 k = 0.0000 0.0000 0.3734 ( 3194 PWs) bands (ev): -24.7325 -24.7325 -23.7182 -23.7179 -23.6863 -23.6860 -23.6581 -23.6581 -7.9936 -7.9936 -6.5754 -6.5745 -6.3522 -6.3519 -6.0484 -6.0470 -4.6949 -4.6864 -4.6257 -4.6214 -4.5738 -4.5695 -4.2683 -4.2674 -4.1387 -4.1382 -3.6654 -3.6634 -3.5606 -3.5554 -3.4556 -3.4517 6.1078 6.1081 9.7405 9.7410 10.3453 10.3524 10.8272 10.8290 k = 0.0000 0.0000 0.3585 ( 3202 PWs) bands (ev): -24.7370 -24.7370 -23.7145 -23.7142 -23.6848 -23.6845 -23.6580 -23.6580 -7.9878 -7.9877 -6.5733 -6.5723 -6.3646 -6.3643 -6.0743 -6.0729 -4.6764 -4.6673 -4.6018 -4.5969 -4.5653 -4.5609 -4.2589 -4.2577 -4.1365 -4.1360 -3.6711 -3.6688 -3.5720 -3.5665 -3.4692 -3.4651 6.0205 6.0208 9.8351 9.8359 10.3792 10.3868 10.8359 10.8378 k = 0.0000 0.0000 0.3435 ( 3202 PWs) bands (ev): -24.7416 -24.7416 -23.7108 -23.7105 -23.6832 -23.6829 -23.6579 -23.6579 -7.9816 -7.9815 -6.5711 -6.5701 -6.3770 -6.3767 -6.1006 -6.0993 -4.6592 -4.6499 -4.5755 -4.5709 -4.5558 -4.5517 -4.2495 -4.2480 -4.1342 -4.1337 -3.6769 -3.6745 -3.5837 -3.5779 -3.4834 -3.4791 5.9352 5.9354 9.9274 9.9286 10.4140 10.4220 10.8447 10.8466 k = 0.0000 0.0000 0.3286 ( 3206 PWs) bands (ev): -24.7462 -24.7462 -23.7071 -23.7068 -23.6816 -23.6813 -23.6578 -23.6578 -7.9750 -7.9750 -6.5688 -6.5678 -6.3891 -6.3887 -6.1274 -6.1261 -4.6427 -4.6336 -4.5507 -4.5498 -4.5400 -4.5388 -4.2401 -4.2384 -4.1318 -4.1313 -3.6830 -3.6805 -3.5957 -3.5896 -3.4981 -3.4937 5.8519 5.8521 10.0170 10.0186 10.4495 10.4579 10.8535 10.8554 k = 0.0000 0.0000 0.3137 ( 3206 PWs) bands (ev): -24.7507 -24.7507 -23.7034 -23.7031 -23.6799 -23.6796 -23.6578 -23.6577 -7.9682 -7.9682 -6.5665 -6.5655 -6.4009 -6.4006 -6.1544 -6.1531 -4.6267 -4.6178 -4.5400 -4.5354 -4.5157 -4.5110 -4.2308 -4.2289 -4.1293 -4.1288 -3.6893 -3.6866 -3.6079 -3.6016 -3.5133 -3.5087 5.7708 5.7710 10.1036 10.1056 10.4854 10.4942 10.8622 10.8641 k = 0.0000 0.0000 0.2987 ( 3206 PWs) bands (ev): -24.7553 -24.7553 -23.6997 -23.6994 -23.6783 -23.6780 -23.6577 -23.6577 -7.9611 -7.9611 -6.5642 -6.5632 -6.4124 -6.4120 -6.1815 -6.1803 -4.6109 -4.6024 -4.5302 -4.5252 -4.4866 -4.4816 -4.2217 -4.2194 -4.1268 -4.1262 -3.6957 -3.6929 -3.6202 -3.6137 -3.5289 -3.5242 5.6922 5.6923 10.1869 10.1893 10.5216 10.5307 10.8707 10.8726 k = 0.0000 0.0000 0.2838 ( 3206 PWs) bands (ev): -24.7598 -24.7598 -23.6961 -23.6958 -23.6766 -23.6763 -23.6576 -23.6576 -7.9538 -7.9537 -6.5619 -6.5609 -6.4235 -6.4231 -6.2085 -6.2074 -4.5953 -4.5870 -4.5203 -4.5152 -4.4569 -4.4520 -4.2127 -4.2102 -4.1242 -4.1235 -3.7023 -3.6993 -3.6327 -3.6259 -3.5449 -3.5401 5.6161 5.6163 10.2667 10.2696 10.5577 10.5671 10.8791 10.8809 k = 0.0000 0.0000 0.2688 ( 3210 PWs) bands (ev): -24.7642 -24.7642 -23.6926 -23.6922 -23.6750 -23.6747 -23.6575 -23.6575 -7.9462 -7.9462 -6.5596 -6.5586 -6.4342 -6.4339 -6.2354 -6.2344 -4.5797 -4.5717 -4.5103 -4.5051 -4.4274 -4.4225 -4.2040 -4.2012 -4.1216 -4.1209 -3.7089 -3.7059 -3.6451 -3.6381 -3.5612 -3.5563 5.5428 5.5430 10.3426 10.3460 10.5935 10.6031 10.8872 10.8890 k = 0.0000 0.0000 0.2539 ( 3202 PWs) bands (ev): -24.7686 -24.7686 -23.6891 -23.6888 -23.6733 -23.6730 -23.6574 -23.6574 -7.9385 -7.9385 -6.5573 -6.5563 -6.4444 -6.4441 -6.2619 -6.2610 -4.5641 -4.5565 -4.5002 -4.4950 -4.3982 -4.3933 -4.1954 -4.1923 -4.1189 -4.1181 -3.7157 -3.7125 -3.6574 -3.6503 -3.5778 -3.5728 5.4725 5.4726 10.4145 10.4184 10.6287 10.6385 10.8951 10.8968 k = 0.0000 0.0000 0.2390 ( 3202 PWs) bands (ev): -24.7728 -24.7728 -23.6858 -23.6855 -23.6717 -23.6714 -23.6573 -23.6573 -7.9307 -7.9306 -6.5550 -6.5541 -6.4542 -6.4539 -6.2880 -6.2872 -4.5485 -4.5412 -4.4901 -4.4848 -4.3696 -4.3648 -4.1872 -4.1838 -4.1161 -4.1154 -3.7225 -3.7193 -3.6695 -3.6624 -3.5945 -3.5894 5.4052 5.4052 10.4823 10.4866 10.6630 10.6730 10.9026 10.9043 k = 0.0000 0.0000 0.2240 ( 3202 PWs) bands (ev): -24.7768 -24.7768 -23.6826 -23.6823 -23.6702 -23.6698 -23.6572 -23.6572 -7.9228 -7.9227 -6.5528 -6.5519 -6.4635 -6.4632 -6.3136 -6.3128 -4.5330 -4.5260 -4.4799 -4.4746 -4.3420 -4.3372 -4.1792 -4.1755 -4.1134 -4.1126 -3.7293 -3.7261 -3.6814 -3.6743 -3.6113 -3.6061 5.3411 5.3411 10.5456 10.5505 10.6963 10.7064 10.9099 10.9115 k = 0.0000 0.0000 0.2091 ( 3196 PWs) bands (ev): -24.7807 -24.7807 -23.6795 -23.6792 -23.6686 -23.6683 -23.6571 -23.6571 -7.9149 -7.9148 -6.5507 -6.5498 -6.4723 -6.4720 -6.3383 -6.3376 -4.5176 -4.5110 -4.4698 -4.4645 -4.3155 -4.3106 -4.1714 -4.1674 -4.1107 -4.1099 -3.7362 -3.7329 -3.6929 -3.6859 -3.6280 -3.6229 5.2803 5.2804 10.6046 10.6099 10.7283 10.7384 10.9167 10.9183 k = 0.0000 0.0000 0.1942 ( 3192 PWs) bands (ev): -24.7844 -24.7844 -23.6766 -23.6764 -23.6672 -23.6669 -23.6570 -23.6570 -7.9070 -7.9070 -6.5486 -6.5477 -6.4805 -6.4802 -6.3622 -6.3615 -4.5024 -4.4961 -4.4597 -4.4546 -4.2903 -4.2854 -4.1639 -4.1597 -4.1079 -4.1071 -3.7430 -3.7398 -3.7040 -3.6972 -3.6447 -3.6395 5.2231 5.2231 10.6589 10.6646 10.7588 10.7688 10.9232 10.9247 k = 0.0000 0.0000 0.1792 ( 3197 PWs) bands (ev): -24.7879 -24.7879 -23.6739 -23.6737 -23.6657 -23.6655 -23.6569 -23.6569 -7.8993 -7.8992 -6.5466 -6.5458 -6.4881 -6.4879 -6.3851 -6.3845 -4.4875 -4.4816 -4.4498 -4.4448 -4.2666 -4.2618 -4.1565 -4.1521 -4.1052 -4.1044 -3.7497 -3.7467 -3.7146 -3.7080 -3.6611 -3.6559 5.1695 5.1695 10.7085 10.7146 10.7875 10.7974 10.9293 10.9307 k = 0.0000 0.0000 0.1643 ( 3197 PWs) bands (ev): -24.7912 -24.7912 -23.6714 -23.6712 -23.6644 -23.6641 -23.6568 -23.6568 -7.8917 -7.8917 -6.5448 -6.5440 -6.4952 -6.4950 -6.4068 -6.4062 -4.4729 -4.4674 -4.4402 -4.4354 -4.2446 -4.2399 -4.1492 -4.1448 -4.1025 -4.1017 -3.7563 -3.7535 -3.7244 -3.7183 -3.6771 -3.6720 5.1196 5.1197 10.7534 10.7598 10.8145 10.8241 10.9350 10.9363 k = 0.0000 0.0000 0.1494 ( 3199 PWs) bands (ev): -24.7943 -24.7943 -23.6691 -23.6689 -23.6631 -23.6629 -23.6567 -23.6567 -7.8844 -7.8844 -6.5431 -6.5423 -6.5017 -6.5015 -6.4271 -6.4267 -4.4589 -4.4537 -4.4309 -4.4263 -4.2245 -4.2201 -4.1419 -4.1375 -4.0999 -4.0991 -3.7628 -3.7603 -3.7336 -3.7280 -3.6925 -3.6875 5.0737 5.0737 10.7935 10.8001 10.8394 10.8487 10.9402 10.9414 k = 0.0000 0.0000 0.1344 ( 3183 PWs) bands (ev): -24.7971 -24.7971 -23.6670 -23.6668 -23.6619 -23.6617 -23.6566 -23.6566 -7.8775 -7.8775 -6.5415 -6.5407 -6.5076 -6.5075 -6.4460 -6.4456 -4.4454 -4.4406 -4.4220 -4.4177 -4.2066 -4.2025 -4.1345 -4.1303 -4.0973 -4.0966 -3.7692 -3.7671 -3.7418 -3.7369 -3.7072 -3.7024 5.0317 5.0317 10.8288 10.8355 10.8623 10.8713 10.9450 10.9461 k = 0.0000 0.0000 0.1195 ( 3183 PWs) bands (ev): -24.7996 -24.7996 -23.6652 -23.6650 -23.6607 -23.6606 -23.6565 -23.6565 -7.8710 -7.8710 -6.5400 -6.5394 -6.5129 -6.5128 -6.4634 -6.4630 -4.4327 -4.4284 -4.4136 -4.4096 -4.1911 -4.1876 -4.1268 -4.1231 -4.0948 -4.0942 -3.7753 -3.7737 -3.7492 -3.7450 -3.7210 -3.7164 4.9938 4.9939 10.8593 10.8660 10.8830 10.8916 10.9494 10.9504 k = 0.0000 0.0000 0.1046 ( 3185 PWs) bands (ev): -24.8019 -24.8019 -23.6636 -23.6634 -23.6597 -23.6595 -23.6564 -23.6564 -7.8650 -7.8650 -6.5388 -6.5382 -6.5176 -6.5175 -6.4790 -6.4787 -4.4209 -4.4170 -4.4059 -4.4022 -4.1780 -4.1753 -4.1189 -4.1159 -4.0924 -4.0919 -3.7813 -3.7801 -3.7556 -3.7522 -3.7337 -3.7294 4.9602 4.9602 10.8852 10.8916 10.9017 10.9096 10.9533 10.9542 k = 0.0000 0.0000 0.0896 ( 3177 PWs) bands (ev): -24.8039 -24.8039 -23.6623 -23.6622 -23.6587 -23.6586 -23.6562 -23.6562 -7.8596 -7.8596 -6.5378 -6.5372 -6.5217 -6.5217 -6.4927 -6.4924 -4.4101 -4.4068 -4.3988 -4.3956 -4.1675 -4.1655 -4.1108 -4.1087 -4.0902 -4.0898 -3.7869 -3.7861 -3.7612 -3.7586 -3.7451 -3.7411 4.9308 4.9308 10.9066 10.9121 10.9187 10.9253 10.9568 10.9576 k = 0.0000 0.0000 0.0747 ( 3169 PWs) bands (ev): -24.8056 -24.8056 -23.6612 -23.6612 -23.6578 -23.6577 -23.6561 -23.6560 -7.8549 -7.8549 -6.5370 -6.5365 -6.5252 -6.5252 -6.5043 -6.5041 -4.4006 -4.3978 -4.3926 -4.3898 -4.1593 -4.1581 -4.1031 -4.1018 -4.0881 -4.0879 -3.7922 -3.7917 -3.7658 -3.7639 -3.7549 -3.7513 4.9059 4.9059 10.9240 10.9275 10.9342 10.9386 10.9599 10.9606 k = 0.0000 0.0000 0.0597 ( 3167 PWs) bands (ev): -24.8070 -24.8070 -23.6604 -23.6604 -23.6570 -23.6570 -23.6559 -23.6559 -7.8510 -7.8510 -6.5366 -6.5361 -6.5283 -6.5282 -6.5136 -6.5135 -4.3925 -4.3902 -4.3872 -4.3849 -4.1532 -4.1526 -4.0962 -4.0955 -4.0863 -4.0862 -3.7969 -3.7967 -3.7696 -3.7683 -3.7629 -3.7599 4.8853 4.8853 10.9373 10.9391 10.9472 10.9496 10.9626 10.9632 k = 0.0000 0.0000 0.0448 ( 3149 PWs) bands (ev): -24.8081 -24.8081 -23.6599 -23.6598 -23.6563 -23.6563 -23.6557 -23.6557 -7.8478 -7.8478 -6.5364 -6.5360 -6.5310 -6.5310 -6.5203 -6.5202 -4.3860 -4.3842 -4.3829 -4.3811 -4.1489 -4.1486 -4.0905 -4.0902 -4.0848 -4.0847 -3.8009 -3.8008 -3.7726 -3.7717 -3.7691 -3.7667 4.8693 4.8693 10.9469 10.9476 10.9572 10.9583 10.9651 10.9655 k = 0.0000 0.0000 0.0299 ( 3151 PWs) bands (ev): -24.8089 -24.8089 -23.6595 -23.6595 -23.6559 -23.6559 -23.6556 -23.6556 -7.8455 -7.8455 -6.5364 -6.5362 -6.5337 -6.5337 -6.5242 -6.5242 -4.3811 -4.3799 -4.3796 -4.3784 -4.1460 -4.1459 -4.0862 -4.0861 -4.0837 -4.0837 -3.8040 -3.8040 -3.7747 -3.7741 -3.7733 -3.7717 4.8578 4.8578 10.9531 10.9533 10.9641 10.9645 10.9672 10.9676 k = 0.0000 0.0000 0.0149 ( 3151 PWs) bands (ev): -24.8094 -24.8094 -23.6593 -23.6593 -23.6556 -23.6556 -23.6555 -23.6555 -7.8441 -7.8441 -6.5366 -6.5365 -6.5358 -6.5358 -6.5260 -6.5260 -4.3780 -4.3776 -4.3774 -4.3770 -4.1444 -4.1444 -4.0836 -4.0836 -4.0830 -4.0830 -3.8060 -3.8060 -3.7759 -3.7757 -3.7756 -3.7749 4.8509 4.8509 10.9565 10.9565 10.9682 10.9683 10.9688 10.9690 k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -24.8095 -24.8095 -23.6592 -23.6592 -23.6555 -23.6555 -23.6555 -23.6555 -7.8437 -7.8437 -6.5366 -6.5366 -6.5366 -6.5366 -6.5265 -6.5265 -4.3767 -4.3767 -4.3767 -4.3767 -4.1438 -4.1438 -4.0828 -4.0828 -4.0828 -4.0828 -3.8067 -3.8067 -3.7762 -3.7762 -3.7762 -3.7762 4.8486 4.8486 10.9575 10.9575 10.9695 10.9695 10.9695 10.9695 k = 0.0000 0.0000 0.0000 ( 3151 PWs) bands (ev): -24.8095 -24.8095 -23.6592 -23.6592 -23.6555 -23.6555 -23.6555 -23.6555 -7.8437 -7.8437 -6.5366 -6.5366 -6.5366 -6.5366 -6.5265 -6.5265 -4.3767 -4.3767 -4.3767 -4.3767 -4.1438 -4.1438 -4.0828 -4.0828 -4.0828 -4.0828 -3.8067 -3.8067 -3.7762 -3.7762 -3.7762 -3.7762 4.8486 4.8486 10.9575 10.9575 10.9695 10.9695 10.9695 10.9695 k = 0.0049 0.0069 0.0120 ( 3151 PWs) bands (ev): -24.8094 -24.8094 -23.6593 -23.6593 -23.6556 -23.6556 -23.6555 -23.6555 -7.8441 -7.8441 -6.5366 -6.5365 -6.5358 -6.5358 -6.5260 -6.5260 -4.3779 -4.3775 -4.3775 -4.3770 -4.1444 -4.1444 -4.0836 -4.0836 -4.0829 -4.0829 -3.8060 -3.8060 -3.7758 -3.7758 -3.7757 -3.7749 4.8508 4.8508 10.9565 10.9565 10.9683 10.9683 10.9689 10.9691 k = 0.0098 0.0139 0.0240 ( 3151 PWs) bands (ev): -24.8089 -24.8089 -23.6595 -23.6595 -23.6559 -23.6559 -23.6556 -23.6556 -7.8455 -7.8455 -6.5366 -6.5363 -6.5338 -6.5338 -6.5241 -6.5241 -4.3806 -4.3797 -4.3797 -4.3787 -4.1459 -4.1459 -4.0862 -4.0862 -4.0835 -4.0835 -3.8041 -3.8041 -3.7745 -3.7745 -3.7734 -3.7717 4.8575 4.8575 10.9533 10.9533 10.9648 10.9648 10.9670 10.9675 k = 0.0147 0.0208 0.0360 ( 3148 PWs) bands (ev): -24.8081 -24.8081 -23.6598 -23.6598 -23.6563 -23.6563 -23.6557 -23.6557 -7.8477 -7.8477 -6.5364 -6.5360 -6.5319 -6.5319 -6.5198 -6.5198 -4.3846 -4.3834 -4.3834 -4.3819 -4.1487 -4.1487 -4.0903 -4.0903 -4.0844 -4.0844 -3.8011 -3.8011 -3.7722 -3.7722 -3.7694 -3.7669 4.8687 4.8687 10.9468 10.9468 10.9599 10.9599 10.9641 10.9647 k = 0.0196 0.0277 0.0480 ( 3163 PWs) bands (ev): -24.8071 -24.8071 -23.6604 -23.6604 -23.6569 -23.6569 -23.6559 -23.6559 -7.8507 -7.8507 -6.5362 -6.5357 -6.5306 -6.5306 -6.5123 -6.5123 -4.3900 -4.3884 -4.3884 -4.3864 -4.1529 -4.1529 -4.0957 -4.0957 -4.0857 -4.0856 -3.7974 -3.7974 -3.7687 -3.7687 -3.7637 -3.7604 4.8842 4.8842 10.9360 10.9360 10.9545 10.9545 10.9599 10.9608 k = 0.0245 0.0347 0.0600 ( 3175 PWs) bands (ev): -24.8057 -24.8057 -23.6613 -23.6613 -23.6574 -23.6574 -23.6561 -23.6561 -7.8545 -7.8545 -6.5358 -6.5353 -6.5297 -6.5297 -6.5020 -6.5020 -4.3966 -4.3947 -4.3947 -4.3922 -4.1590 -4.1590 -4.1019 -4.1019 -4.0872 -4.0872 -3.7934 -3.7934 -3.7636 -3.7636 -3.7565 -3.7525 4.9041 4.9041 10.9207 10.9207 10.9485 10.9485 10.9546 10.9557 k = 0.0294 0.0416 0.0720 ( 3181 PWs) bands (ev): -24.8041 -24.8041 -23.6625 -23.6625 -23.6580 -23.6580 -23.6564 -23.6564 -7.8591 -7.8591 -6.5354 -6.5347 -6.5290 -6.5290 -6.4893 -6.4893 -4.4041 -4.4021 -4.4021 -4.3990 -4.1673 -4.1673 -4.1083 -4.1083 -4.0891 -4.0891 -3.7893 -3.7893 -3.7569 -3.7569 -3.7478 -3.7432 4.9283 4.9283 10.9009 10.9009 10.9416 10.9416 10.9481 10.9494 k = 0.0343 0.0485 0.0841 ( 3181 PWs) bands (ev): -24.8022 -24.8022 -23.6640 -23.6640 -23.6585 -23.6585 -23.6567 -23.6567 -7.8642 -7.8642 -6.5349 -6.5341 -6.5283 -6.5283 -6.4743 -6.4743 -4.4126 -4.4104 -4.4104 -4.4069 -4.1783 -4.1783 -4.1146 -4.1146 -4.0913 -4.0912 -3.7854 -3.7854 -3.7486 -3.7486 -3.7379 -3.7328 4.9568 4.9568 10.8767 10.8767 10.9337 10.9337 10.9403 10.9418 k = 0.0392 0.0555 0.0961 ( 3190 PWs) bands (ev): -24.8000 -24.8000 -23.6658 -23.6658 -23.6590 -23.6590 -23.6570 -23.6570 -7.8700 -7.8700 -6.5343 -6.5334 -6.5276 -6.5276 -6.4573 -6.4573 -4.4219 -4.4195 -4.4195 -4.4156 -4.1921 -4.1921 -4.1204 -4.1204 -4.0938 -4.0937 -3.7816 -3.7816 -3.7387 -3.7387 -3.7270 -3.7214 4.9894 4.9894 10.8480 10.8480 10.9246 10.9246 10.9312 10.9329 k = 0.0441 0.0624 0.1081 ( 3193 PWs) bands (ev): -24.7975 -24.7975 -23.6678 -23.6678 -23.6595 -23.6595 -23.6574 -23.6574 -7.8762 -7.8762 -6.5335 -6.5325 -6.5268 -6.5268 -6.4385 -6.4385 -4.4318 -4.4292 -4.4292 -4.4250 -4.2087 -4.2087 -4.1256 -4.1256 -4.0966 -4.0964 -3.7779 -3.7779 -3.7276 -3.7276 -3.7151 -3.7092 5.0262 5.0262 10.8149 10.8149 10.9142 10.9142 10.9208 10.9227 k = 0.0490 0.0693 0.1201 ( 3199 PWs) bands (ev): -24.7948 -24.7948 -23.6701 -23.6701 -23.6601 -23.6601 -23.6579 -23.6579 -7.8828 -7.8828 -6.5327 -6.5316 -6.5259 -6.5259 -6.4180 -6.4180 -4.4422 -4.4395 -4.4395 -4.4350 -4.2277 -4.2277 -4.1306 -4.1306 -4.0996 -4.0993 -3.7741 -3.7741 -3.7156 -3.7156 -3.7025 -3.6962 5.0669 5.0669 10.7776 10.7776 10.9024 10.9024 10.9089 10.9111 k = 0.0539 0.0763 0.1321 ( 3199 PWs) bands (ev): -24.7919 -24.7919 -23.6726 -23.6726 -23.6606 -23.6606 -23.6584 -23.6584 -7.8896 -7.8896 -6.5317 -6.5305 -6.5249 -6.5249 -6.3960 -6.3960 -4.4530 -4.4502 -4.4502 -4.4454 -4.2490 -4.2490 -4.1352 -4.1352 -4.1029 -4.1026 -3.7702 -3.7702 -3.7028 -3.7028 -3.6893 -3.6828 5.1115 5.1115 10.7362 10.7362 10.8892 10.8892 10.8956 10.8981 k = 0.0588 0.0832 0.1441 ( 3199 PWs) bands (ev): -24.7887 -24.7887 -23.6753 -23.6753 -23.6612 -23.6612 -23.6589 -23.6589 -7.8967 -7.8967 -6.5306 -6.5293 -6.5238 -6.5238 -6.3726 -6.3726 -4.4640 -4.4612 -4.4612 -4.4561 -4.2723 -4.2723 -4.1397 -4.1397 -4.1064 -4.1060 -3.7662 -3.7662 -3.6894 -3.6894 -3.6756 -3.6689 5.1599 5.1599 10.6911 10.6911 10.8744 10.8744 10.8808 10.8835 k = 0.0637 0.0901 0.1561 ( 3199 PWs) bands (ev): -24.7854 -24.7854 -23.6782 -23.6782 -23.6618 -23.6618 -23.6595 -23.6595 -7.9040 -7.9040 -6.5294 -6.5280 -6.5226 -6.5226 -6.3480 -6.3480 -4.4752 -4.4723 -4.4723 -4.4670 -4.2973 -4.2973 -4.1443 -4.1443 -4.1102 -4.1098 -3.7619 -3.7619 -3.6757 -3.6757 -3.6617 -3.6548 5.2119 5.2119 10.6426 10.6426 10.8580 10.8580 10.8643 10.8672 k = 0.0686 0.0971 0.1681 ( 3205 PWs) bands (ev): -24.7818 -24.7818 -23.6812 -23.6812 -23.6624 -23.6624 -23.6601 -23.6601 -7.9113 -7.9113 -6.5280 -6.5266 -6.5212 -6.5212 -6.3224 -6.3224 -4.4864 -4.4834 -4.4834 -4.4780 -4.3238 -4.3238 -4.1488 -4.1488 -4.1142 -4.1137 -3.7575 -3.7575 -3.6618 -3.6618 -3.6475 -3.6406 5.2675 5.2675 10.5911 10.5911 10.8400 10.8400 10.8462 10.8493 k = 0.0735 0.1040 0.1801 ( 3205 PWs) bands (ev): -24.7781 -24.7781 -23.6843 -23.6843 -23.6631 -23.6631 -23.6608 -23.6608 -7.9186 -7.9186 -6.5265 -6.5250 -6.5197 -6.5197 -6.2960 -6.2960 -4.4975 -4.4946 -4.4946 -4.4891 -4.3515 -4.3515 -4.1535 -4.1535 -4.1185 -4.1179 -3.7528 -3.7528 -3.6477 -3.6477 -3.6332 -3.6263 5.3265 5.3265 10.5370 10.5370 10.8202 10.8202 10.8262 10.8296 k = 0.0784 0.1109 0.1921 ( 3208 PWs) bands (ev): -24.7742 -24.7742 -23.6875 -23.6875 -23.6639 -23.6639 -23.6615 -23.6615 -7.9258 -7.9258 -6.5248 -6.5233 -6.5181 -6.5181 -6.2690 -6.2690 -4.5085 -4.5056 -4.5056 -4.5000 -4.3802 -4.3802 -4.1583 -4.1583 -4.1230 -4.1224 -3.7478 -3.7478 -3.6336 -3.6336 -3.6190 -3.6120 5.3887 5.3887 10.4805 10.4805 10.7984 10.7984 10.8044 10.8080 k = 0.0833 0.1179 0.2041 ( 3214 PWs) bands (ev): -24.7702 -24.7702 -23.6907 -23.6907 -23.6646 -23.6646 -23.6622 -23.6622 -7.9329 -7.9329 -6.5230 -6.5214 -6.5163 -6.5163 -6.2416 -6.2416 -4.5194 -4.5164 -4.5164 -4.5108 -4.4096 -4.4096 -4.1632 -4.1632 -4.1277 -4.1271 -3.7427 -3.7427 -3.6197 -3.6197 -3.6049 -3.5980 5.4541 5.4541 10.4221 10.4221 10.7748 10.7748 10.7805 10.7843 k = 0.0882 0.1248 0.2161 ( 3208 PWs) bands (ev): -24.7661 -24.7661 -23.6940 -23.6940 -23.6654 -23.6654 -23.6630 -23.6630 -7.9398 -7.9398 -6.5209 -6.5193 -6.5143 -6.5143 -6.2139 -6.2139 -4.5299 -4.5270 -4.5270 -4.5213 -4.4396 -4.4396 -4.1684 -4.1684 -4.1327 -4.1320 -3.7373 -3.7373 -3.6059 -3.6059 -3.5910 -3.5841 5.5225 5.5225 10.3620 10.3620 10.7490 10.7490 10.7547 10.7587 k = 0.0931 0.1317 0.2281 ( 3208 PWs) bands (ev): -24.7619 -24.7619 -23.6974 -23.6974 -23.6663 -23.6663 -23.6639 -23.6639 -7.9465 -7.9465 -6.5187 -6.5171 -6.5122 -6.5122 -6.1863 -6.1863 -4.5402 -4.5373 -4.5373 -4.5316 -4.4699 -4.4699 -4.1737 -4.1737 -4.1380 -4.1372 -3.7316 -3.7316 -3.5925 -3.5925 -3.5773 -3.5705 5.5938 5.5938 10.3007 10.3007 10.7211 10.7211 10.7267 10.7309 k = 0.0980 0.1386 0.2401 ( 3199 PWs) bands (ev): -24.7577 -24.7577 -23.7007 -23.7007 -23.6671 -23.6671 -23.6647 -23.6647 -7.9529 -7.9529 -6.5163 -6.5146 -6.5099 -6.5099 -6.1590 -6.1590 -4.5501 -4.5474 -4.5474 -4.5415 -4.5000 -4.5000 -4.1792 -4.1792 -4.1435 -4.1426 -3.7257 -3.7257 -3.5793 -3.5793 -3.5640 -3.5574 5.6678 5.6678 10.2383 10.2383 10.6911 10.6911 10.6965 10.7008 k = 0.1029 0.1456 0.2522 ( 3211 PWs) bands (ev): -24.7534 -24.7534 -23.7040 -23.7040 -23.6681 -23.6681 -23.6657 -23.6656 -7.9590 -7.9590 -6.5137 -6.5120 -6.5074 -6.5074 -6.1322 -6.1322 -4.5596 -4.5572 -4.5572 -4.5511 -4.5298 -4.5298 -4.1850 -4.1850 -4.1492 -4.1483 -3.7197 -3.7197 -3.5666 -3.5666 -3.5511 -3.5446 5.7443 5.7443 10.1752 10.1752 10.6588 10.6588 10.6640 10.6686 k = 0.1078 0.1525 0.2642 ( 3205 PWs) bands (ev): -24.7490 -24.7490 -23.7072 -23.7072 -23.6690 -23.6690 -23.6666 -23.6666 -7.9648 -7.9648 -6.5109 -6.5092 -6.5046 -6.5046 -6.1061 -6.1061 -4.5687 -4.5682 -4.5682 -4.5603 -4.5574 -4.5574 -4.1910 -4.1910 -4.1552 -4.1542 -3.7133 -3.7133 -3.5544 -3.5544 -3.5387 -3.5324 5.8233 5.8233 10.1115 10.1115 10.6243 10.6243 10.6294 10.6341 k = 0.1127 0.1594 0.2762 ( 3205 PWs) bands (ev): -24.7447 -24.7447 -23.7103 -23.7103 -23.6700 -23.6700 -23.6676 -23.6676 -7.9702 -7.9702 -6.5079 -6.5062 -6.5017 -6.5017 -6.0812 -6.0812 -4.5902 -4.5902 -4.5773 -4.5727 -4.5727 -4.5690 -4.1971 -4.1971 -4.1614 -4.1604 -3.7068 -3.7068 -3.5426 -3.5426 -3.5268 -3.5207 5.9046 5.9046 10.0475 10.0475 10.5876 10.5876 10.5926 10.5973 k = 0.1176 0.1664 0.2882 ( 3211 PWs) bands (ev): -24.7404 -24.7404 -23.7134 -23.7134 -23.6710 -23.6710 -23.6686 -23.6686 -7.9752 -7.9752 -6.5046 -6.5030 -6.4985 -6.4985 -6.0576 -6.0576 -4.6170 -4.6170 -4.5854 -4.5816 -4.5816 -4.5773 -4.2036 -4.2036 -4.1679 -4.1668 -3.7001 -3.7001 -3.5315 -3.5315 -3.5155 -3.5096 5.9879 5.9879 9.9835 9.9835 10.5486 10.5486 10.5535 10.5584 k = 0.1225 0.1733 0.3002 ( 3199 PWs) bands (ev): -24.7362 -24.7362 -23.7163 -23.7163 -23.6721 -23.6721 -23.6697 -23.6697 -7.9799 -7.9799 -6.5012 -6.4995 -6.4951 -6.4951 -6.0356 -6.0356 -4.6427 -4.6427 -4.5930 -4.5894 -4.5894 -4.5850 -4.2102 -4.2102 -4.1746 -4.1734 -3.6932 -3.6932 -3.5209 -3.5209 -3.5047 -3.4990 6.0732 6.0732 9.9196 9.9196 10.5076 10.5076 10.5125 10.5174 k = 0.1275 0.1802 0.3122 ( 3199 PWs) bands (ev): -24.7320 -24.7320 -23.7190 -23.7190 -23.6732 -23.6732 -23.6708 -23.6708 -7.9842 -7.9842 -6.4974 -6.4958 -6.4914 -6.4914 -6.0156 -6.0156 -4.6667 -4.6667 -4.6000 -4.5966 -4.5966 -4.5923 -4.2171 -4.2171 -4.1815 -4.1803 -3.6860 -3.6860 -3.5110 -3.5110 -3.4946 -3.4892 6.1603 6.1603 9.8560 9.8560 10.4647 10.4647 10.4695 10.4744 k = 0.1324 0.1872 0.3242 ( 3205 PWs) bands (ev): -24.7280 -24.7280 -23.7216 -23.7216 -23.6743 -23.6743 -23.6719 -23.6719 -7.9880 -7.9880 -6.4934 -6.4918 -6.4875 -6.4875 -5.9980 -5.9980 -4.6886 -4.6886 -4.6066 -4.6033 -4.6033 -4.5990 -4.2242 -4.2242 -4.1887 -4.1874 -3.6788 -3.6788 -3.5018 -3.5018 -3.4852 -3.4800 6.2490 6.2490 9.7929 9.7929 10.4199 10.4199 10.4246 10.4295 k = 0.1373 0.1941 0.3362 ( 3211 PWs) bands (ev): -24.7240 -24.7240 -23.7240 -23.7240 -23.6755 -23.6755 -23.6731 -23.6731 -7.9915 -7.9915 -6.4892 -6.4876 -6.4834 -6.4834 -5.9829 -5.9829 -4.7079 -4.7079 -4.6126 -4.6093 -4.6093 -4.6052 -4.2315 -4.2315 -4.1961 -4.1948 -3.6713 -3.6713 -3.4932 -3.4932 -3.4765 -3.4716 6.3391 6.3391 9.7305 9.7305 10.3734 10.3734 10.3782 10.3830 k = 0.1422 0.2010 0.3482 ( 3199 PWs) bands (ev): -24.7202 -24.7202 -23.7261 -23.7261 -23.6767 -23.6767 -23.6742 -23.6742 -7.9946 -7.9946 -6.4847 -6.4831 -6.4790 -6.4790 -5.9708 -5.9708 -4.7244 -4.7244 -4.6180 -4.6148 -4.6148 -4.6109 -4.2391 -4.2391 -4.2038 -4.2024 -3.6637 -3.6637 -3.4854 -3.4854 -3.4685 -3.4639 6.4305 6.4305 9.6690 9.6690 10.3256 10.3256 10.3303 10.3351 k = 0.1471 0.2080 0.3602 ( 3202 PWs) bands (ev): -24.7165 -24.7165 -23.7280 -23.7280 -23.6779 -23.6779 -23.6755 -23.6755 -7.9973 -7.9973 -6.4799 -6.4784 -6.4743 -6.4743 -5.9619 -5.9619 -4.7377 -4.7377 -4.6229 -4.6198 -4.6198 -4.6160 -4.2469 -4.2469 -4.2117 -4.2102 -3.6559 -3.6559 -3.4783 -3.4783 -3.4613 -3.4569 6.5229 6.5229 9.6085 9.6085 10.2765 10.2765 10.2813 10.2859 k = 0.1520 0.2149 0.3722 ( 3190 PWs) bands (ev): -24.7130 -24.7130 -23.7296 -23.7296 -23.6791 -23.6791 -23.6767 -23.6767 -7.9995 -7.9995 -6.4748 -6.4734 -6.4693 -6.4693 -5.9562 -5.9562 -4.7477 -4.7477 -4.6272 -4.6242 -4.6242 -4.6205 -4.2549 -4.2549 -4.2199 -4.2183 -3.6480 -3.6480 -3.4720 -3.4720 -3.4548 -3.4507 6.6161 6.6161 9.5494 9.5494 10.2264 10.2264 10.2313 10.2357 k = 0.1569 0.2218 0.3842 ( 3190 PWs) bands (ev): -24.7097 -24.7097 -23.7309 -23.7309 -23.6804 -23.6804 -23.6780 -23.6780 -8.0015 -8.0015 -6.4695 -6.4681 -6.4640 -6.4640 -5.9541 -5.9541 -4.7541 -4.7541 -4.6310 -4.6280 -4.6280 -4.6246 -4.2631 -4.2631 -4.2282 -4.2267 -3.6400 -3.6400 -3.4664 -3.4664 -3.4491 -3.4452 6.7099 6.7099 9.4917 9.4917 10.1755 10.1755 10.1805 10.1848 k = 0.1618 0.2288 0.3962 ( 3190 PWs) bands (ev): -24.7066 -24.7066 -23.7320 -23.7320 -23.6817 -23.6817 -23.6793 -23.6793 -8.0030 -8.0030 -6.4638 -6.4625 -6.4585 -6.4585 -5.9555 -5.9555 -4.7570 -4.7570 -4.6343 -4.6313 -4.6313 -4.6281 -4.2716 -4.2716 -4.2369 -4.2352 -3.6319 -3.6319 -3.4616 -3.4616 -3.4441 -3.4405 6.8041 6.8041 9.4358 9.4358 10.1241 10.1241 10.1292 10.1333 k = 0.1667 0.2357 0.4082 ( 3184 PWs) bands (ev): -24.7037 -24.7037 -23.7328 -23.7328 -23.6830 -23.6830 -23.6806 -23.6806 -8.0042 -8.0042 -6.4579 -6.4566 -6.4526 -6.4526 -5.9603 -5.9603 -4.7564 -4.7564 -4.6369 -4.6341 -4.6341 -4.6310 -4.2804 -4.2804 -4.2457 -4.2440 -3.6236 -3.6236 -3.4576 -3.4576 -3.4399 -3.4366 6.8983 6.8983 9.3818 9.3818 10.0724 10.0724 10.0776 10.0815 k = 0.1716 0.2426 0.4203 ( 3196 PWs) bands (ev): -24.7010 -24.7010 -23.7333 -23.7333 -23.6844 -23.6844 -23.6820 -23.6820 -8.0051 -8.0051 -6.4517 -6.4505 -6.4465 -6.4465 -5.9685 -5.9685 -4.7524 -4.7524 -4.6392 -4.6364 -4.6364 -4.6335 -4.2893 -4.2893 -4.2549 -4.2531 -3.6153 -3.6153 -3.4543 -3.4543 -3.4365 -3.4335 6.9921 6.9921 9.3301 9.3301 10.0206 10.0206 10.0259 10.0296 k = 0.1765 0.2496 0.4323 ( 3196 PWs) bands (ev): -24.6986 -24.6986 -23.7335 -23.7335 -23.6858 -23.6858 -23.6833 -23.6833 -8.0057 -8.0057 -6.4452 -6.4441 -6.4400 -6.4400 -5.9798 -5.9798 -4.7451 -4.7451 -4.6409 -4.6381 -4.6381 -4.6355 -4.2985 -4.2985 -4.2642 -4.2624 -3.6069 -3.6069 -3.4517 -3.4517 -3.4338 -3.4311 7.0853 7.0853 9.2811 9.2811 9.9689 9.9689 9.9744 9.9779 k = 0.1814 0.2565 0.4443 ( 3196 PWs) bands (ev): -24.6963 -24.6963 -23.7334 -23.7334 -23.6871 -23.6871 -23.6847 -23.6847 -8.0061 -8.0061 -6.4384 -6.4373 -6.4333 -6.4333 -5.9939 -5.9939 -4.7348 -4.7348 -4.6421 -4.6394 -4.6394 -4.6370 -4.3079 -4.3079 -4.2737 -4.2719 -3.5984 -3.5984 -3.4499 -3.4499 -3.4319 -3.4294 7.1773 7.1773 9.2351 9.2351 9.9175 9.9175 9.9232 9.9264 k = 0.1863 0.2634 0.4563 ( 3196 PWs) bands (ev): -24.6943 -24.6943 -23.7330 -23.7330 -23.6885 -23.6885 -23.6861 -23.6861 -8.0061 -8.0061 -6.4313 -6.4303 -6.4263 -6.4263 -6.0106 -6.0106 -4.7219 -4.7219 -4.6428 -4.6402 -4.6402 -4.6381 -4.3175 -4.3175 -4.2835 -4.2817 -3.5898 -3.5898 -3.4487 -3.4487 -3.4306 -3.4284 7.2676 7.2676 9.1927 9.1927 9.8666 9.8666 9.8725 9.8755 k = 0.1912 0.2704 0.4683 ( 3208 PWs) bands (ev): -24.6926 -24.6926 -23.7323 -23.7323 -23.6900 -23.6900 -23.6875 -23.6875 -8.0060 -8.0060 -6.4239 -6.4230 -6.4189 -6.4189 -6.0294 -6.0294 -4.7066 -4.7066 -4.6432 -4.6406 -4.6406 -4.6387 -4.3273 -4.3273 -4.2935 -4.2917 -3.5812 -3.5812 -3.4483 -3.4483 -3.4301 -3.4282 7.3556 7.3556 9.1544 9.1544 9.8163 9.8163 9.8224 9.8252 k = 0.1961 0.2773 0.4803 ( 3202 PWs) bands (ev): -24.6910 -24.6910 -23.7313 -23.7313 -23.6914 -23.6914 -23.6890 -23.6890 -8.0057 -8.0057 -6.4162 -6.4154 -6.4113 -6.4113 -6.0501 -6.0501 -4.6894 -4.6894 -4.6431 -4.6404 -4.6404 -4.6390 -4.3374 -4.3374 -4.3038 -4.3019 -3.5726 -3.5726 -3.4484 -3.4484 -3.4302 -3.4285 7.4405 7.4405 9.1209 9.1209 9.7669 9.7669 9.7732 9.7757 k = 0.2010 0.2842 0.4923 ( 3196 PWs) bands (ev): -24.6896 -24.6896 -23.7300 -23.7300 -23.6928 -23.6928 -23.6904 -23.6904 -8.0052 -8.0052 -6.4082 -6.4075 -6.4033 -6.4033 -6.0722 -6.0722 -4.6708 -4.6708 -4.6427 -4.6397 -4.6397 -4.6388 -4.3476 -4.3476 -4.3142 -4.3123 -3.5639 -3.5639 -3.4491 -3.4491 -3.4310 -3.4295 7.5215 7.5215 9.0932 9.0932 9.7184 9.7184 9.7249 9.7271 k = 0.2059 0.2912 0.5043 ( 3202 PWs) bands (ev): -24.6885 -24.6885 -23.7285 -23.7285 -23.6943 -23.6943 -23.6919 -23.6919 -8.0046 -8.0046 -6.3999 -6.3993 -6.3951 -6.3951 -6.0955 -6.0955 -4.6519 -4.6519 -4.6420 -4.6384 -4.6376 -4.6376 -4.3579 -4.3579 -4.3248 -4.3229 -3.5553 -3.5553 -3.4504 -3.4504 -3.4323 -3.4311 7.5974 7.5974 9.0722 9.0722 9.6709 9.6709 9.6776 9.6796 k = 0.2108 0.2981 0.5163 ( 3202 PWs) bands (ev): -24.6875 -24.6875 -23.7267 -23.7267 -23.6957 -23.6957 -23.6933 -23.6933 -8.0039 -8.0039 -6.3914 -6.3908 -6.3866 -6.3866 -6.1196 -6.1196 -4.6413 -4.6413 -4.6410 -4.6377 -4.6258 -4.6258 -4.3684 -4.3684 -4.3356 -4.3338 -3.5467 -3.5467 -3.4522 -3.4522 -3.4342 -3.4332 7.6672 7.6672 9.0588 9.0588 9.6246 9.6246 9.6315 9.6333 k = 0.2157 0.3050 0.5283 ( 3202 PWs) bands (ev): -24.6867 -24.6867 -23.7248 -23.7248 -23.6972 -23.6972 -23.6948 -23.6948 -8.0031 -8.0031 -6.3825 -6.3821 -6.3778 -6.3778 -6.1442 -6.1442 -4.6397 -4.6389 -4.6389 -4.6368 -4.6051 -4.6051 -4.3790 -4.3790 -4.3465 -4.3448 -3.5381 -3.5381 -3.4544 -3.4544 -3.4366 -3.4358 7.7297 7.7297 9.0544 9.0544 9.5796 9.5796 9.5867 9.5882 k = 0.2206 0.3120 0.5403 ( 3202 PWs) bands (ev): -24.6861 -24.6861 -23.7226 -23.7226 -23.6986 -23.6986 -23.6963 -23.6963 -8.0023 -8.0023 -6.3734 -6.3730 -6.3687 -6.3687 -6.1691 -6.1691 -4.6383 -4.6373 -4.6373 -4.6357 -4.5829 -4.5829 -4.3896 -4.3896 -4.3576 -4.3560 -3.5297 -3.5297 -3.4570 -3.4570 -3.4395 -3.4389 7.7838 7.7838 9.0598 9.0598 9.5359 9.5359 9.5432 9.5445 k = 0.2255 0.3189 0.5523 ( 3196 PWs) bands (ev): -24.6857 -24.6857 -23.7202 -23.7202 -23.7001 -23.7001 -23.6977 -23.6977 -8.0016 -8.0016 -6.3641 -6.3637 -6.3594 -6.3594 -6.1939 -6.1939 -4.6368 -4.6357 -4.6357 -4.6345 -4.5604 -4.5604 -4.4001 -4.4001 -4.3688 -4.3673 -3.5215 -3.5215 -3.4597 -3.4597 -3.4428 -3.4423 7.8288 7.8288 9.0759 9.0759 9.4936 9.4936 9.5011 9.5022 k = 0.2304 0.3258 0.5643 ( 3190 PWs) bands (ev): -24.6853 -24.6853 -23.7177 -23.7177 -23.7015 -23.7015 -23.6992 -23.6992 -8.0009 -8.0009 -6.3544 -6.3542 -6.3498 -6.3498 -6.2186 -6.2186 -4.6352 -4.6342 -4.6342 -4.6334 -4.5381 -4.5381 -4.4103 -4.4103 -4.3800 -4.3787 -3.5136 -3.5136 -3.4624 -3.4624 -3.4464 -3.4460 7.8641 7.8641 9.1029 9.1029 9.4528 9.4528 9.4605 9.4614 k = 0.2353 0.3328 0.5764 ( 3190 PWs) bands (ev): -24.6851 -24.6851 -23.7151 -23.7151 -23.7029 -23.7029 -23.7007 -23.7007 -8.0003 -8.0003 -6.3446 -6.3444 -6.3399 -6.3399 -6.2428 -6.2428 -4.6338 -4.6329 -4.6329 -4.6323 -4.5166 -4.5166 -4.4198 -4.4198 -4.3913 -4.3902 -3.5063 -3.5063 -3.4648 -3.4648 -3.4503 -3.4501 7.8899 7.8899 9.1407 9.1407 9.4135 9.4135 9.4214 9.4221 k = 0.2402 0.3397 0.5884 ( 3199 PWs) bands (ev): -24.6850 -24.6850 -23.7125 -23.7125 -23.7043 -23.7043 -23.7021 -23.7021 -7.9998 -7.9998 -6.3345 -6.3344 -6.3299 -6.3299 -6.2663 -6.2663 -4.6325 -4.6318 -4.6318 -4.6315 -4.4972 -4.4972 -4.4274 -4.4274 -4.4025 -4.4017 -3.5002 -3.5002 -3.4663 -3.4663 -3.4544 -3.4543 7.9070 7.9070 9.1884 9.1884 9.3758 9.3758 9.3839 9.3843 k = 0.2451 0.3466 0.6004 ( 3211 PWs) bands (ev): -24.6849 -24.6849 -23.7100 -23.7100 -23.7053 -23.7053 -23.7036 -23.7036 -7.9995 -7.9995 -6.3241 -6.3241 -6.3197 -6.3197 -6.2889 -6.2889 -4.6314 -4.6311 -4.6311 -4.6309 -4.4827 -4.4827 -4.4306 -4.4306 -4.4137 -4.4132 -3.4961 -3.4961 -3.4660 -3.4660 -3.4586 -3.4586 7.9163 7.9163 9.2448 9.2448 9.3399 9.3399 9.3480 9.3482 k = 0.2500 0.3536 0.6124 ( 3244 PWs) bands (ev): -24.6850 -24.6850 -23.7089 -23.7089 -23.7051 -23.7051 -23.7051 -23.7051 -7.9994 -7.9994 -6.3136 -6.3136 -6.3136 -6.3136 -6.3064 -6.3064 -4.6308 -4.6308 -4.6308 -4.6308 -4.4777 -4.4777 -4.4246 -4.4246 -4.4246 -4.4246 -3.4948 -3.4948 -3.4629 -3.4629 -3.4629 -3.4629 7.9190 7.9190 9.3006 9.3006 9.3137 9.3137 9.3137 9.3137 k = 0.2500 0.3536 0.6124 ( 3244 PWs) bands (ev): -24.6850 -24.6850 -23.7089 -23.7089 -23.7051 -23.7051 -23.7051 -23.7051 -7.9994 -7.9994 -6.3136 -6.3136 -6.3136 -6.3136 -6.3064 -6.3064 -4.6308 -4.6308 -4.6308 -4.6308 -4.4777 -4.4777 -4.4246 -4.4246 -4.4246 -4.4246 -3.4948 -3.4948 -3.4629 -3.4629 -3.4629 -3.4629 7.9190 7.9190 9.3006 9.3006 9.3137 9.3137 9.3137 9.3137 k = 0.2549 0.3397 0.6124 ( 3202 PWs) bands (ev): -24.6849 -24.6849 -23.7096 -23.7096 -23.7065 -23.7065 -23.7029 -23.7029 -7.9995 -7.9995 -6.3323 -6.3323 -6.3029 -6.3028 -6.2976 -6.2976 -4.6313 -4.6313 -4.6313 -4.6308 -4.4809 -4.4809 -4.4356 -4.4351 -4.4103 -4.4103 -3.4958 -3.4958 -3.4672 -3.4672 -3.4576 -3.4576 7.9167 7.9167 9.2717 9.2717 9.2808 9.2810 9.3797 9.3797 k = 0.2598 0.3258 0.6124 ( 3196 PWs) bands (ev): -24.6849 -24.6849 -23.7108 -23.7108 -23.7080 -23.7080 -23.7002 -23.7002 -7.9999 -7.9999 -6.3517 -6.3517 -6.2919 -6.2918 -6.2868 -6.2868 -4.6326 -4.6326 -4.6326 -4.6314 -4.4876 -4.4876 -4.4463 -4.4452 -4.3931 -4.3931 -3.4981 -3.4981 -3.4714 -3.4714 -3.4509 -3.4509 7.9104 7.9104 9.2406 9.2406 9.2496 9.2500 9.4541 9.4541 k = 0.2647 0.3120 0.6124 ( 3196 PWs) bands (ev): -24.6849 -24.6849 -23.7121 -23.7121 -23.7094 -23.7094 -23.6974 -23.6974 -8.0006 -8.0006 -6.3698 -6.3698 -6.2808 -6.2807 -6.2756 -6.2756 -4.6351 -4.6351 -4.6349 -4.6330 -4.4952 -4.4952 -4.4566 -4.4548 -4.3752 -4.3752 -3.5010 -3.5010 -3.4755 -3.4755 -3.4435 -3.4435 7.9014 7.9014 9.2111 9.2111 9.2201 9.2206 9.5319 9.5319 k = 0.2696 0.2981 0.6124 ( 3196 PWs) bands (ev): -24.6849 -24.6849 -23.7135 -23.7135 -23.7108 -23.7108 -23.6946 -23.6946 -8.0016 -8.0016 -6.3866 -6.3866 -6.2695 -6.2693 -6.2643 -6.2643 -4.6390 -4.6390 -4.6383 -4.6357 -4.5027 -4.5027 -4.4663 -4.4638 -4.3577 -4.3577 -3.5041 -3.5041 -3.4793 -3.4792 -3.4358 -3.4358 7.8904 7.8904 9.1832 9.1832 9.1922 9.1929 9.6118 9.6118 k = 0.2745 0.2842 0.6124 ( 3196 PWs) bands (ev): -24.6848 -24.6848 -23.7149 -23.7149 -23.7122 -23.7122 -23.6919 -23.6919 -8.0029 -8.0029 -6.4018 -6.4018 -6.2581 -6.2578 -6.2527 -6.2527 -4.6443 -4.6443 -4.6429 -4.6396 -4.5095 -4.5095 -4.4753 -4.4720 -4.3410 -4.3410 -3.5070 -3.5070 -3.4828 -3.4826 -3.4279 -3.4279 7.8784 7.8784 9.1569 9.1569 9.1659 9.1668 9.6928 9.6928 k = 0.2794 0.2704 0.6124 ( 3202 PWs) bands (ev): -24.6847 -24.6847 -23.7162 -23.7162 -23.7136 -23.7136 -23.6893 -23.6893 -8.0047 -8.0047 -6.4155 -6.4155 -6.2465 -6.2462 -6.2410 -6.2410 -4.6512 -4.6512 -4.6489 -4.6449 -4.5155 -4.5155 -4.4834 -4.4793 -4.3253 -4.3253 -3.5097 -3.5097 -3.4859 -3.4856 -3.4200 -3.4200 7.8660 7.8660 9.1323 9.1323 9.1413 9.1424 9.7738 9.7738 k = 0.2843 0.2565 0.6124 ( 3196 PWs) bands (ev): -24.6844 -24.6844 -23.7176 -23.7176 -23.7150 -23.7150 -23.6868 -23.6868 -8.0067 -8.0067 -6.4275 -6.4275 -6.2347 -6.2344 -6.2292 -6.2292 -4.6597 -4.6597 -4.6564 -4.6517 -4.5207 -4.5207 -4.4907 -4.4859 -4.3108 -4.3108 -3.5121 -3.5121 -3.4886 -3.4881 -3.4121 -3.4121 7.8537 7.8537 9.1093 9.1093 9.1184 9.1196 9.8540 9.8540 k = 0.2892 0.2426 0.6124 ( 3202 PWs) bands (ev): -24.6841 -24.6841 -23.7189 -23.7189 -23.7163 -23.7163 -23.6845 -23.6845 -8.0092 -8.0092 -6.4378 -6.4378 -6.2228 -6.2225 -6.2172 -6.2172 -4.6697 -4.6697 -4.6652 -4.6600 -4.5251 -4.5251 -4.4972 -4.4917 -4.2976 -4.2976 -3.5139 -3.5139 -3.4907 -3.4901 -3.4043 -3.4043 7.8419 7.8419 9.0879 9.0879 9.0970 9.0984 9.9326 9.9326 k = 0.2941 0.2288 0.6124 ( 3202 PWs) bands (ev): -24.6836 -24.6836 -23.7203 -23.7203 -23.7177 -23.7177 -23.6824 -23.6824 -8.0121 -8.0121 -6.4463 -6.4463 -6.2108 -6.2105 -6.2051 -6.2051 -4.6811 -4.6811 -4.6755 -4.6698 -4.5289 -4.5289 -4.5029 -4.4968 -4.2858 -4.2858 -3.5152 -3.5152 -3.4922 -3.4914 -3.3965 -3.3965 7.8311 7.8311 9.0680 9.0680 9.0772 9.0787 10.0088 10.0088 k = 0.2990 0.2149 0.6124 ( 3220 PWs) bands (ev): -24.6831 -24.6831 -23.7216 -23.7216 -23.7190 -23.7190 -23.6804 -23.6804 -8.0153 -8.0153 -6.4531 -6.4531 -6.1986 -6.1983 -6.1929 -6.1929 -4.6938 -4.6938 -4.6870 -4.6810 -4.5323 -4.5323 -4.5080 -4.5014 -4.2754 -4.2754 -3.5158 -3.5158 -3.4930 -3.4920 -3.3888 -3.3888 7.8215 7.8215 9.0497 9.0497 9.0590 9.0606 10.0818 10.0818 k = 0.3039 0.2010 0.6124 ( 3214 PWs) bands (ev): -24.6823 -24.6823 -23.7229 -23.7229 -23.7203 -23.7203 -23.6787 -23.6787 -8.0190 -8.0190 -6.4580 -6.4580 -6.1864 -6.1861 -6.1806 -6.1806 -4.7074 -4.7074 -4.6996 -4.6933 -4.5355 -4.5355 -4.5127 -4.5056 -4.2664 -4.2664 -3.5157 -3.5157 -3.4932 -3.4920 -3.3811 -3.3811 7.8133 7.8133 9.0330 9.0330 9.0423 9.0441 10.1508 10.1508 k = 0.3088 0.1872 0.6124 ( 3208 PWs) bands (ev): -24.6814 -24.6814 -23.7241 -23.7241 -23.7215 -23.7215 -23.6771 -23.6771 -8.0229 -8.0229 -6.4611 -6.4611 -6.1741 -6.1738 -6.1682 -6.1682 -4.7219 -4.7219 -4.7132 -4.7068 -4.5386 -4.5386 -4.5170 -4.5096 -4.2591 -4.2591 -3.5149 -3.5149 -3.4925 -3.4911 -3.3736 -3.3736 7.8068 7.8068 9.0177 9.0177 9.0271 9.0291 10.2152 10.2152 k = 0.3137 0.1733 0.6124 ( 3208 PWs) bands (ev): -24.6804 -24.6804 -23.7253 -23.7253 -23.7228 -23.7228 -23.6759 -23.6759 -8.0273 -8.0273 -6.4625 -6.4625 -6.1617 -6.1615 -6.1557 -6.1557 -4.7371 -4.7371 -4.7276 -4.7211 -4.5417 -4.5417 -4.5212 -4.5135 -4.2533 -4.2533 -3.5133 -3.5133 -3.4911 -3.4895 -3.3662 -3.3662 7.8022 7.8022 9.0040 9.0040 9.0134 9.0155 10.2743 10.2743 k = 0.3186 0.1594 0.6124 ( 3205 PWs) bands (ev): -24.6791 -24.6791 -23.7266 -23.7266 -23.7240 -23.7240 -23.6749 -23.6749 -8.0319 -8.0319 -6.4620 -6.4620 -6.1493 -6.1491 -6.1432 -6.1432 -4.7529 -4.7529 -4.7427 -4.7363 -4.5451 -4.5451 -4.5254 -4.5175 -4.2491 -4.2491 -3.5110 -3.5110 -3.4889 -3.4870 -3.3590 -3.3590 7.7995 7.7995 8.9916 8.9916 9.0012 9.0033 10.3275 10.3275 k = 0.3235 0.1456 0.6124 ( 3205 PWs) bands (ev): -24.6777 -24.6777 -23.7277 -23.7277 -23.7252 -23.7252 -23.6741 -23.6741 -8.0369 -8.0369 -6.4597 -6.4597 -6.1368 -6.1366 -6.1307 -6.1307 -4.7691 -4.7691 -4.7584 -4.7520 -4.5489 -4.5489 -4.5297 -4.5216 -4.2465 -4.2465 -3.5077 -3.5077 -3.4858 -3.4837 -3.3518 -3.3518 7.7990 7.7990 8.9807 8.9807 8.9903 8.9926 10.3744 10.3744 k = 0.3284 0.1317 0.6124 ( 3210 PWs) bands (ev): -24.6761 -24.6761 -23.7289 -23.7289 -23.7263 -23.7263 -23.6736 -23.6736 -8.0422 -8.0422 -6.4557 -6.4557 -6.1244 -6.1242 -6.1181 -6.1181 -4.7857 -4.7857 -4.7746 -4.7683 -4.5530 -4.5530 -4.5343 -4.5260 -4.2456 -4.2456 -3.5037 -3.5037 -3.4819 -3.4796 -3.3448 -3.3448 7.8006 7.8006 8.9711 8.9711 8.9809 8.9832 10.4146 10.4146 k = 0.3333 0.1179 0.6124 ( 3222 PWs) bands (ev): -24.6744 -24.6744 -23.7300 -23.7300 -23.7274 -23.7274 -23.6735 -23.6735 -8.0477 -8.0477 -6.4500 -6.4500 -6.1119 -6.1118 -6.1056 -6.1056 -4.8026 -4.8026 -4.7911 -4.7850 -4.5575 -4.5575 -4.5391 -4.5308 -4.2464 -4.2464 -3.4989 -3.4989 -3.4772 -3.4747 -3.3380 -3.3380 7.8046 7.8046 8.9628 8.9628 8.9727 8.9752 10.4479 10.4479 k = 0.3382 0.1040 0.6124 ( 3210 PWs) bands (ev): -24.6724 -24.6724 -23.7311 -23.7311 -23.7285 -23.7285 -23.6736 -23.6736 -8.0534 -8.0534 -6.4426 -6.4426 -6.0994 -6.0993 -6.0930 -6.0930 -4.8196 -4.8196 -4.8079 -4.8020 -4.5625 -4.5625 -4.5443 -4.5359 -4.2488 -4.2488 -3.4932 -3.4932 -3.4717 -3.4689 -3.3313 -3.3313 7.8108 7.8108 8.9559 8.9559 8.9658 8.9684 10.4744 10.4744 k = 0.3431 0.0901 0.6124 ( 3204 PWs) bands (ev): -24.6702 -24.6702 -23.7322 -23.7322 -23.7296 -23.7296 -23.6739 -23.6739 -8.0593 -8.0593 -6.4335 -6.4335 -6.0870 -6.0869 -6.0805 -6.0805 -4.8368 -4.8368 -4.8249 -4.8192 -4.5680 -4.5680 -4.5498 -4.5414 -4.2528 -4.2528 -3.4868 -3.4868 -3.4654 -3.4624 -3.3247 -3.3247 7.8195 7.8195 8.9502 8.9502 8.9602 8.9629 10.4940 10.4940 k = 0.3480 0.0763 0.6124 ( 3207 PWs) bands (ev): -24.6678 -24.6678 -23.7332 -23.7332 -23.7306 -23.7306 -23.6746 -23.6746 -8.0654 -8.0654 -6.4229 -6.4229 -6.0746 -6.0746 -6.0681 -6.0681 -4.8540 -4.8540 -4.8420 -4.8365 -4.5740 -4.5740 -4.5558 -4.5474 -4.2585 -4.2585 -3.4797 -3.4797 -3.4583 -3.4552 -3.3183 -3.3183 7.8306 7.8306 8.9456 8.9456 8.9559 8.9586 10.5070 10.5070 k = 0.3529 0.0624 0.6124 ( 3207 PWs) bands (ev): -24.6653 -24.6653 -23.7342 -23.7342 -23.7316 -23.7316 -23.6755 -23.6755 -8.0715 -8.0715 -6.4107 -6.4107 -6.0624 -6.0623 -6.0557 -6.0557 -4.8712 -4.8712 -4.8592 -4.8539 -4.5805 -4.5805 -4.5621 -4.5538 -4.2657 -4.2657 -3.4719 -3.4719 -3.4506 -3.4472 -3.3121 -3.3121 7.8441 7.8441 8.9423 8.9423 8.9526 8.9554 10.5137 10.5137 k = 0.3578 0.0485 0.6124 ( 3207 PWs) bands (ev): -24.6625 -24.6625 -23.7352 -23.7352 -23.7326 -23.7326 -23.6768 -23.6768 -8.0778 -8.0778 -6.3970 -6.3970 -6.0502 -6.0500 -6.0434 -6.0434 -4.8884 -4.8884 -4.8763 -4.8713 -4.5874 -4.5874 -4.5689 -4.5606 -4.2746 -4.2746 -3.4634 -3.4634 -3.4421 -3.4387 -3.3060 -3.3060 7.8601 7.8601 8.9401 8.9401 8.9505 8.9534 10.5144 10.5144 k = 0.3627 0.0347 0.6124 ( 3207 PWs) bands (ev): -24.6596 -24.6596 -23.7361 -23.7361 -23.7335 -23.7335 -23.6783 -23.6783 -8.0840 -8.0840 -6.3820 -6.3820 -6.0381 -6.0379 -6.0312 -6.0312 -4.9054 -4.9054 -4.8934 -4.8886 -4.5948 -4.5948 -4.5760 -4.5678 -4.2850 -4.2850 -3.4544 -3.4544 -3.4331 -3.4296 -3.3001 -3.3001 7.8785 7.8785 8.9389 8.9389 8.9495 8.9525 10.5095 10.5095 k = 0.3676 0.0208 0.6124 ( 3213 PWs) bands (ev): -24.6565 -24.6565 -23.7370 -23.7370 -23.7344 -23.7344 -23.6800 -23.6800 -8.0903 -8.0903 -6.3656 -6.3656 -6.0262 -6.0260 -6.0192 -6.0192 -4.9221 -4.9221 -4.9103 -4.9058 -4.6027 -4.6027 -4.5836 -4.5754 -4.2969 -4.2969 -3.4449 -3.4449 -3.4236 -3.4199 -3.2944 -3.2944 7.8994 7.8994 8.9388 8.9388 8.9496 8.9526 10.4993 10.4993 k = 0.3725 0.0069 0.6124 ( 3228 PWs) bands (ev): -24.6533 -24.6533 -23.7379 -23.7379 -23.7353 -23.7353 -23.6820 -23.6820 -8.0966 -8.0966 -6.3479 -6.3479 -6.0145 -6.0141 -6.0074 -6.0074 -4.9387 -4.9387 -4.9269 -4.9227 -4.6110 -4.6110 -4.5914 -4.5835 -4.3102 -4.3102 -3.4349 -3.4349 -3.4136 -3.4099 -3.2889 -3.2889 7.9227 7.9227 8.9397 8.9397 8.9506 8.9537 10.4842 10.4842 k = 0.3775-0.0069 0.6124 ( 3231 PWs) bands (ev): -24.6499 -24.6499 -23.7387 -23.7387 -23.7361 -23.7361 -23.6843 -23.6843 -8.1028 -8.1028 -6.3291 -6.3291 -6.0029 -6.0025 -5.9957 -5.9957 -4.9549 -4.9549 -4.9433 -4.9394 -4.6196 -4.6196 -4.5996 -4.5918 -4.3249 -4.3249 -3.4245 -3.4245 -3.4032 -3.3994 -3.2835 -3.2835 7.9484 7.9484 8.9415 8.9415 8.9526 8.9557 10.4645 10.4645 k = 0.3824-0.0208 0.6124 ( 3219 PWs) bands (ev): -24.6464 -24.6464 -23.7395 -23.7395 -23.7369 -23.7369 -23.6867 -23.6867 -8.1089 -8.1089 -6.3091 -6.3091 -5.9915 -5.9910 -5.9842 -5.9842 -4.9707 -4.9707 -4.9594 -4.9557 -4.6285 -4.6285 -4.6080 -4.6004 -4.3410 -4.3410 -3.4139 -3.4139 -3.3925 -3.3887 -3.2783 -3.2783 7.9765 7.9765 8.9442 8.9442 8.9554 8.9586 10.4406 10.4406 k = 0.3873-0.0347 0.6124 ( 3225 PWs) bands (ev): -24.6428 -24.6428 -23.7403 -23.7403 -23.7377 -23.7377 -23.6894 -23.6894 -8.1149 -8.1149 -6.2882 -6.2882 -5.9804 -5.9798 -5.9730 -5.9730 -4.9860 -4.9860 -4.9750 -4.9716 -4.6378 -4.6378 -4.6167 -4.6092 -4.3582 -4.3582 -3.4030 -3.4030 -3.3816 -3.3777 -3.2732 -3.2732 8.0068 8.0068 8.9477 8.9477 8.9591 8.9623 10.4128 10.4128 k = 0.3922-0.0485 0.6124 ( 3219 PWs) bands (ev): -24.6390 -24.6390 -23.7410 -23.7410 -23.7384 -23.7384 -23.6922 -23.6922 -8.1207 -8.1207 -6.2662 -6.2662 -5.9695 -5.9688 -5.9621 -5.9621 -5.0009 -5.0009 -4.9903 -4.9871 -4.6472 -4.6472 -4.6255 -4.6183 -4.3767 -4.3767 -3.3920 -3.3920 -3.3704 -3.3666 -3.2684 -3.2684 8.0395 8.0395 8.9520 8.9520 8.9636 8.9668 10.3814 10.3814 k = 0.3971-0.0624 0.6124 ( 3219 PWs) bands (ev): -24.6352 -24.6352 -23.7417 -23.7417 -23.7391 -23.7391 -23.6952 -23.6952 -8.1264 -8.1264 -6.2434 -6.2434 -5.9589 -5.9582 -5.9514 -5.9514 -5.0153 -5.0153 -5.0050 -5.0021 -4.6569 -4.6569 -4.6345 -4.6275 -4.3962 -4.3962 -3.3809 -3.3809 -3.3592 -3.3553 -3.2637 -3.2637 8.0743 8.0743 8.9570 8.9570 8.9688 8.9721 10.3465 10.3465 k = 0.4020-0.0763 0.6124 ( 3225 PWs) bands (ev): -24.6313 -24.6313 -23.7424 -23.7424 -23.7398 -23.7398 -23.6984 -23.6984 -8.1319 -8.1319 -6.2199 -6.2199 -5.9486 -5.9478 -5.9410 -5.9410 -5.0291 -5.0291 -5.0192 -5.0165 -4.6667 -4.6667 -4.6436 -4.6369 -4.4167 -4.4167 -3.3698 -3.3698 -3.3479 -3.3441 -3.2593 -3.2593 8.1112 8.1112 8.9627 8.9627 8.9747 8.9780 10.3086 10.3086 k = 0.4069-0.0901 0.6124 ( 3225 PWs) bands (ev): -24.6274 -24.6274 -23.7430 -23.7430 -23.7404 -23.7404 -23.7017 -23.7017 -8.1373 -8.1373 -6.1958 -6.1958 -5.9386 -5.9377 -5.9310 -5.9310 -5.0423 -5.0423 -5.0328 -5.0304 -4.6766 -4.6766 -4.6528 -4.6463 -4.4381 -4.4381 -3.3587 -3.3587 -3.3367 -3.3330 -3.2550 -3.2550 8.1503 8.1503 8.9689 8.9689 8.9812 8.9844 10.2678 10.2678 k = 0.4118-0.1040 0.6124 ( 3222 PWs) bands (ev): -24.6234 -24.6234 -23.7436 -23.7436 -23.7410 -23.7410 -23.7050 -23.7050 -8.1423 -8.1423 -6.1711 -6.1711 -5.9290 -5.9281 -5.9214 -5.9214 -5.0548 -5.0548 -5.0457 -5.0436 -4.6865 -4.6865 -4.6619 -4.6557 -4.4602 -4.4602 -3.3479 -3.3479 -3.3255 -3.3219 -3.2508 -3.2508 8.1913 8.1913 8.9757 8.9757 8.9882 8.9914 10.2244 10.2244 k = 0.4167-0.1179 0.6124 ( 3234 PWs) bands (ev): -24.6195 -24.6195 -23.7442 -23.7442 -23.7416 -23.7416 -23.7084 -23.7084 -8.1472 -8.1472 -6.1460 -6.1460 -5.9197 -5.9188 -5.9122 -5.9122 -5.0666 -5.0666 -5.0581 -5.0562 -4.6964 -4.6964 -4.6710 -4.6650 -4.4829 -4.4829 -3.3372 -3.3372 -3.3146 -3.3111 -3.2469 -3.2469 8.2343 8.2343 8.9829 8.9829 8.9956 8.9988 10.1785 10.1785 k = 0.4216-0.1317 0.6124 ( 3225 PWs) bands (ev): -24.6156 -24.6156 -23.7447 -23.7447 -23.7421 -23.7421 -23.7118 -23.7118 -8.1519 -8.1519 -6.1206 -6.1206 -5.9109 -5.9099 -5.9034 -5.9034 -5.0777 -5.0777 -5.0697 -5.0680 -4.7062 -4.7062 -4.6800 -4.6743 -4.5061 -4.5061 -3.3268 -3.3268 -3.3039 -3.3005 -3.2431 -3.2431 8.2791 8.2791 8.9904 8.9904 9.0035 9.0066 10.1304 10.1304 k = 0.4265-0.1456 0.6124 ( 3225 PWs) bands (ev): -24.6117 -24.6117 -23.7452 -23.7452 -23.7426 -23.7426 -23.7152 -23.7152 -8.1562 -8.1562 -6.0951 -6.0951 -5.9025 -5.9015 -5.8950 -5.8950 -5.0880 -5.0880 -5.0806 -5.0792 -4.7160 -4.7160 -4.6888 -4.6834 -4.5296 -4.5296 -3.3168 -3.3168 -3.2935 -3.2903 -3.2395 -3.2395 8.3256 8.3256 8.9983 8.9983 9.0116 9.0147 10.0803 10.0803 k = 0.4314-0.1594 0.6124 ( 3219 PWs) bands (ev): -24.6080 -24.6080 -23.7457 -23.7457 -23.7431 -23.7430 -23.7186 -23.7186 -8.1604 -8.1604 -6.0696 -6.0696 -5.8945 -5.8935 -5.8871 -5.8871 -5.0976 -5.0976 -5.0908 -5.0895 -4.7255 -4.7255 -4.6973 -4.6923 -4.5532 -4.5532 -3.3072 -3.3072 -3.2835 -3.2804 -3.2361 -3.2361 8.3738 8.3738 9.0063 9.0063 9.0199 9.0229 10.0284 10.0284 k = 0.4363-0.1733 0.6124 ( 3225 PWs) bands (ev): -24.6043 -24.6043 -23.7461 -23.7461 -23.7435 -23.7435 -23.7220 -23.7220 -8.1642 -8.1642 -6.0443 -6.0443 -5.8871 -5.8860 -5.8797 -5.8797 -5.1064 -5.1064 -5.1003 -5.0992 -4.7349 -4.7349 -4.7057 -4.7010 -4.5768 -4.5768 -3.2981 -3.2981 -3.2739 -3.2710 -3.2328 -3.2328 8.4236 8.4236 9.0144 9.0144 9.0283 9.0312 9.9748 9.9748 k = 0.4412-0.1872 0.6124 ( 3225 PWs) bands (ev): -24.6008 -24.6008 -23.7465 -23.7465 -23.7439 -23.7439 -23.7252 -23.7252 -8.1678 -8.1678 -6.0194 -6.0194 -5.8801 -5.8790 -5.8728 -5.8728 -5.1144 -5.1144 -5.1089 -5.1080 -4.7440 -4.7440 -4.7136 -4.7093 -4.6002 -4.6002 -3.2895 -3.2895 -3.2648 -3.2621 -3.2297 -3.2297 8.4748 8.4748 9.0226 9.0226 9.0367 9.0395 9.9197 9.9197 k = 0.4461-0.2010 0.6124 ( 3231 PWs) bands (ev): -24.5974 -24.5974 -23.7469 -23.7469 -23.7442 -23.7442 -23.7283 -23.7283 -8.1712 -8.1712 -5.9951 -5.9951 -5.8736 -5.8726 -5.8664 -5.8664 -5.1217 -5.1217 -5.1169 -5.1161 -4.7528 -4.7528 -4.7212 -4.7172 -4.6230 -4.6230 -3.2815 -3.2815 -3.2562 -3.2537 -3.2267 -3.2267 8.5273 8.5273 9.0306 9.0306 9.0450 9.0477 9.8634 9.8634 k = 0.4510-0.2149 0.6124 ( 3249 PWs) bands (ev): -24.5942 -24.5942 -23.7473 -23.7473 -23.7446 -23.7446 -23.7313 -23.7313 -8.1742 -8.1742 -5.9715 -5.9715 -5.8677 -5.8667 -5.8606 -5.8606 -5.1282 -5.1282 -5.1241 -5.1234 -4.7612 -4.7612 -4.7284 -4.7247 -4.6452 -4.6452 -3.2742 -3.2742 -3.2483 -3.2459 -3.2239 -3.2239 8.5811 8.5811 9.0384 9.0384 9.0531 9.0557 9.8060 9.8060 k = 0.4559-0.2288 0.6124 ( 3249 PWs) bands (ev): -24.5913 -24.5913 -23.7477 -23.7477 -23.7449 -23.7449 -23.7341 -23.7341 -8.1770 -8.1770 -5.9490 -5.9490 -5.8622 -5.8613 -5.8553 -5.8553 -5.1340 -5.1340 -5.1305 -5.1299 -4.7693 -4.7693 -4.7351 -4.7317 -4.6662 -4.6662 -3.2675 -3.2675 -3.2409 -3.2387 -3.2213 -3.2213 8.6360 8.6360 9.0459 9.0459 9.0609 9.0633 9.7477 9.7477 k = 0.4608-0.2426 0.6124 ( 3249 PWs) bands (ev): -24.5885 -24.5885 -23.7480 -23.7480 -23.7452 -23.7452 -23.7366 -23.7366 -8.1794 -8.1794 -5.9278 -5.9278 -5.8574 -5.8565 -5.8505 -5.8505 -5.1390 -5.1390 -5.1362 -5.1357 -4.7770 -4.7770 -4.7412 -4.7382 -4.6860 -4.6860 -3.2616 -3.2616 -3.2341 -3.2322 -3.2187 -3.2187 8.6918 8.6918 9.0530 9.0530 9.0683 9.0705 9.6886 9.6886 k = 0.4657-0.2565 0.6124 ( 3249 PWs) bands (ev): -24.5860 -24.5860 -23.7483 -23.7483 -23.7454 -23.7454 -23.7389 -23.7389 -8.1816 -8.1816 -5.9081 -5.9081 -5.8530 -5.8522 -5.8463 -5.8463 -5.1434 -5.1434 -5.1411 -5.1408 -4.7843 -4.7843 -4.7466 -4.7440 -4.7040 -4.7040 -3.2564 -3.2564 -3.2281 -3.2264 -3.2164 -3.2164 8.7484 8.7484 9.0596 9.0596 9.0752 9.0771 9.6291 9.6291 k = 0.4706-0.2704 0.6124 ( 3261 PWs) bands (ev): -24.5838 -24.5838 -23.7486 -23.7486 -23.7456 -23.7456 -23.7409 -23.7409 -8.1835 -8.1835 -5.8903 -5.8903 -5.8493 -5.8486 -5.8426 -5.8426 -5.1471 -5.1471 -5.1453 -5.1451 -4.7911 -4.7911 -4.7515 -4.7493 -4.7201 -4.7201 -3.2520 -3.2520 -3.2228 -3.2213 -3.2142 -3.2142 8.8055 8.8055 9.0655 9.0655 9.0813 9.0831 9.5693 9.5693 k = 0.4755-0.2842 0.6124 ( 3267 PWs) bands (ev): -24.5820 -24.5820 -23.7489 -23.7489 -23.7458 -23.7458 -23.7426 -23.7426 -8.1852 -8.1852 -5.8747 -5.8747 -5.8461 -5.8455 -5.8394 -5.8394 -5.1501 -5.1501 -5.1489 -5.1487 -4.7975 -4.7975 -4.7557 -4.7538 -4.7340 -4.7340 -3.2483 -3.2483 -3.2183 -3.2170 -3.2123 -3.2123 8.8629 8.8629 9.0708 9.0708 9.0868 9.0883 9.5095 9.5095 k = 0.4804-0.2981 0.6124 ( 3270 PWs) bands (ev): -24.5804 -24.5804 -23.7492 -23.7492 -23.7459 -23.7459 -23.7440 -23.7440 -8.1865 -8.1865 -5.8615 -5.8615 -5.8435 -5.8430 -5.8368 -5.8368 -5.1526 -5.1526 -5.1518 -5.1516 -4.8032 -4.8032 -4.7591 -4.7576 -4.7453 -4.7453 -3.2454 -3.2454 -3.2145 -3.2135 -3.2106 -3.2106 8.9199 8.9199 9.0753 9.0753 9.0915 9.0926 9.4505 9.4505 k = 0.4853-0.3120 0.6124 ( 3270 PWs) bands (ev): -24.5791 -24.5791 -23.7495 -23.7495 -23.7460 -23.7460 -23.7450 -23.7450 -8.1875 -8.1875 -5.8511 -5.8511 -5.8414 -5.8410 -5.8345 -5.8345 -5.1544 -5.1544 -5.1540 -5.1539 -4.8081 -4.8081 -4.7618 -4.7606 -4.7540 -4.7540 -3.2431 -3.2431 -3.2115 -3.2107 -3.2092 -3.2092 8.9755 8.9755 9.0792 9.0792 9.0952 9.0961 9.3930 9.3930 k = 0.4902-0.3258 0.6124 ( 3270 PWs) bands (ev): -24.5783 -24.5783 -23.7497 -23.7497 -23.7461 -23.7461 -23.7457 -23.7457 -8.1882 -8.1882 -5.8439 -5.8439 -5.8399 -5.8396 -5.8325 -5.8325 -5.1557 -5.1557 -5.1555 -5.1555 -4.8119 -4.8119 -4.7636 -4.7629 -4.7601 -4.7601 -3.2415 -3.2415 -3.2093 -3.2088 -3.2082 -3.2082 9.0270 9.0270 9.0830 9.0830 9.0979 9.0986 9.3392 9.3392 k = 0.4951-0.3397 0.6124 ( 3270 PWs) bands (ev): -24.5777 -24.5777 -23.7499 -23.7499 -23.7462 -23.7462 -23.7461 -23.7461 -8.1887 -8.1887 -5.8399 -5.8399 -5.8390 -5.8388 -5.8309 -5.8309 -5.1565 -5.1565 -5.1564 -5.1564 -4.8144 -4.8144 -4.7647 -4.7643 -4.7637 -4.7637 -3.2406 -3.2406 -3.2079 -3.2077 -3.2076 -3.2076 9.0648 9.0648 9.0902 9.0902 9.0997 9.1000 9.2951 9.2951 k = 0.5000-0.3536 0.6124 ( 3252 PWs) bands (ev): -24.5775 -24.5775 -23.7499 -23.7499 -23.7462 -23.7462 -23.7462 -23.7462 -8.1888 -8.1888 -5.8386 -5.8386 -5.8386 -5.8386 -5.8302 -5.8302 -5.1567 -5.1567 -5.1567 -5.1567 -4.8152 -4.8152 -4.7649 -4.7649 -4.7649 -4.7649 -3.2403 -3.2403 -3.2074 -3.2074 -3.2074 -3.2074 9.0742 9.0742 9.1004 9.1004 9.1004 9.1004 9.2758 9.2758 k = 0.2500 0.3536 0.6124 ( 3244 PWs) bands (ev): -24.6850 -24.6850 -23.7089 -23.7089 -23.7051 -23.7051 -23.7051 -23.7051 -7.9994 -7.9994 -6.3136 -6.3136 -6.3136 -6.3136 -6.3064 -6.3064 -4.6308 -4.6308 -4.6308 -4.6308 -4.4777 -4.4777 -4.4246 -4.4246 -4.4246 -4.4246 -3.4948 -3.4948 -3.4629 -3.4629 -3.4629 -3.4629 7.9190 7.9190 9.3006 9.3006 9.3137 9.3137 9.3137 9.3137 k = 0.2414 0.3414 0.6124 ( 3202 PWs) bands (ev): -24.6849 -24.6849 -23.7099 -23.7099 -23.7060 -23.7060 -23.7032 -23.7032 -7.9995 -7.9995 -6.3301 -6.3301 -6.3110 -6.3110 -6.2917 -6.2917 -4.6315 -4.6315 -4.6308 -4.6308 -4.4819 -4.4819 -4.4331 -4.4331 -4.4115 -4.4115 -3.4960 -3.4960 -3.4667 -3.4667 -3.4580 -3.4580 7.9164 7.9164 9.2505 9.2505 9.3125 9.3125 9.3698 9.3698 k = 0.2328 0.3292 0.6124 ( 3202 PWs) bands (ev): -24.6849 -24.6849 -23.7119 -23.7119 -23.7061 -23.7061 -23.7008 -23.7008 -7.9999 -7.9999 -6.3479 -6.3479 -6.3101 -6.3101 -6.2725 -6.2725 -4.6334 -4.6334 -4.6309 -4.6309 -4.4937 -4.4937 -4.4367 -4.4367 -4.3963 -4.3963 -3.4993 -3.4993 -3.4691 -3.4691 -3.4522 -3.4522 7.9086 7.9086 9.1941 9.1941 9.3217 9.3217 9.4310 9.4310 k = 0.2241 0.3170 0.6124 ( 3198 PWs) bands (ev): -24.6850 -24.6850 -23.7143 -23.7143 -23.7061 -23.7061 -23.6984 -23.6984 -8.0004 -8.0004 -6.3653 -6.3653 -6.3086 -6.3086 -6.2526 -6.2526 -4.6364 -4.6364 -4.6310 -4.6310 -4.5097 -4.5097 -4.4369 -4.4369 -4.3804 -4.3804 -3.5043 -3.5043 -3.4705 -3.4705 -3.4459 -3.4459 7.8958 7.8958 9.1393 9.1393 9.3368 9.3368 9.4939 9.4939 k = 0.2155 0.3048 0.6124 ( 3198 PWs) bands (ev): -24.6851 -24.6851 -23.7167 -23.7167 -23.7060 -23.7060 -23.6959 -23.6959 -8.0013 -8.0013 -6.3821 -6.3821 -6.3066 -6.3066 -6.2324 -6.2324 -4.6404 -4.6404 -4.6313 -4.6313 -4.5280 -4.5280 -4.4352 -4.4352 -4.3644 -4.3644 -3.5102 -3.5102 -3.4711 -3.4711 -3.4394 -3.4394 7.8787 7.8787 9.0863 9.0863 9.3572 9.3572 9.5581 9.5581 k = 0.2069 0.2926 0.6124 ( 3202 PWs) bands (ev): -24.6852 -24.6852 -23.7192 -23.7192 -23.7059 -23.7059 -23.6935 -23.6935 -8.0023 -8.0023 -6.3984 -6.3984 -6.3041 -6.3041 -6.2117 -6.2117 -4.6454 -4.6454 -4.6316 -4.6316 -4.5476 -4.5476 -4.4323 -4.4323 -4.3485 -4.3485 -3.5167 -3.5167 -3.4713 -3.4713 -3.4328 -3.4328 7.8576 7.8576 9.0353 9.0353 9.3824 9.3824 9.6235 9.6235 k = 0.1983 0.2804 0.6124 ( 3196 PWs) bands (ev): -24.6854 -24.6854 -23.7216 -23.7216 -23.7057 -23.7057 -23.6910 -23.6910 -8.0036 -8.0036 -6.4141 -6.4141 -6.3010 -6.3010 -6.1908 -6.1908 -4.6511 -4.6511 -4.6319 -4.6319 -4.5678 -4.5678 -4.4288 -4.4288 -4.3331 -4.3331 -3.5234 -3.5234 -3.4712 -3.4712 -3.4262 -3.4262 7.8332 7.8332 8.9861 8.9861 9.4117 9.4117 9.6898 9.6898 k = 0.1897 0.2682 0.6124 ( 3202 PWs) bands (ev): -24.6856 -24.6856 -23.7240 -23.7240 -23.7054 -23.7054 -23.6887 -23.6887 -8.0050 -8.0050 -6.4292 -6.4292 -6.2976 -6.2976 -6.1695 -6.1695 -4.6575 -4.6575 -4.6323 -4.6323 -4.5886 -4.5886 -4.4248 -4.4248 -4.3182 -4.3182 -3.5302 -3.5302 -3.4710 -3.4710 -3.4198 -3.4198 7.8062 7.8062 8.9389 8.9389 9.4443 9.4443 9.7570 9.7570 k = 0.1810 0.2560 0.6124 ( 3202 PWs) bands (ev): -24.6858 -24.6858 -23.7263 -23.7263 -23.7052 -23.7052 -23.6863 -23.6863 -8.0066 -8.0066 -6.4437 -6.4437 -6.2937 -6.2937 -6.1480 -6.1480 -4.6644 -4.6644 -4.6329 -4.6329 -4.6095 -4.6095 -4.4206 -4.4206 -4.3038 -4.3038 -3.5370 -3.5370 -3.4706 -3.4706 -3.4134 -3.4134 7.7771 7.7771 8.8937 8.8937 9.4797 9.4797 9.8247 9.8247 k = 0.1724 0.2438 0.6124 ( 3206 PWs) bands (ev): -24.6860 -24.6860 -23.7286 -23.7286 -23.7049 -23.7049 -23.6840 -23.6840 -8.0084 -8.0084 -6.4575 -6.4575 -6.2894 -6.2894 -6.1263 -6.1263 -4.6718 -4.6718 -4.6349 -4.6349 -4.6293 -4.6293 -4.4162 -4.4162 -4.2901 -4.2901 -3.5438 -3.5438 -3.4701 -3.4701 -3.4072 -3.4072 7.7467 7.7467 8.8505 8.8505 9.5171 9.5171 9.8927 9.8927 k = 0.1638 0.2316 0.6124 ( 3208 PWs) bands (ev): -24.6862 -24.6862 -23.7308 -23.7308 -23.7046 -23.7046 -23.6818 -23.6818 -8.0102 -8.0102 -6.4708 -6.4708 -6.2848 -6.2848 -6.1046 -6.1046 -4.6798 -4.6798 -4.6526 -4.6526 -4.6332 -4.6332 -4.4117 -4.4117 -4.2769 -4.2769 -3.5504 -3.5504 -3.4695 -3.4695 -3.4012 -3.4012 7.7152 7.7152 8.8094 8.8094 9.5559 9.5559 9.9607 9.9607 k = 0.1552 0.2194 0.6124 ( 3212 PWs) bands (ev): -24.6865 -24.6865 -23.7330 -23.7330 -23.7043 -23.7043 -23.6797 -23.6797 -8.0122 -8.0122 -6.4833 -6.4833 -6.2799 -6.2799 -6.0827 -6.0827 -4.6891 -4.6891 -4.6724 -4.6724 -4.6339 -4.6339 -4.4072 -4.4072 -4.2644 -4.2644 -3.5569 -3.5569 -3.4689 -3.4689 -3.3955 -3.3955 7.6834 7.6834 8.7704 8.7704 9.5955 9.5955 10.0283 10.0283 k = 0.1466 0.2073 0.6124 ( 3208 PWs) bands (ev): -24.6867 -24.6867 -23.7350 -23.7350 -23.7040 -23.7040 -23.6776 -23.6776 -8.0143 -8.0143 -6.4952 -6.4952 -6.2748 -6.2748 -6.0609 -6.0609 -4.7028 -4.7028 -4.6879 -4.6879 -4.6345 -4.6345 -4.4029 -4.4029 -4.2526 -4.2526 -3.5631 -3.5631 -3.4683 -3.4683 -3.3899 -3.3899 7.6515 7.6515 8.7334 8.7334 9.6355 9.6355 10.0953 10.0953 k = 0.1379 0.1951 0.6124 ( 3212 PWs) bands (ev): -24.6870 -24.6870 -23.7370 -23.7370 -23.7037 -23.7037 -23.6756 -23.6756 -8.0164 -8.0164 -6.5065 -6.5065 -6.2695 -6.2695 -6.0392 -6.0392 -4.7219 -4.7219 -4.6979 -4.6979 -4.6351 -4.6351 -4.3987 -4.3987 -4.2415 -4.2415 -3.5691 -3.5691 -3.4676 -3.4676 -3.3846 -3.3846 7.6199 7.6199 8.6985 8.6985 9.6754 9.6754 10.1611 10.1611 k = 0.1293 0.1829 0.6124 ( 3200 PWs) bands (ev): -24.6873 -24.6873 -23.7389 -23.7389 -23.7033 -23.7033 -23.6736 -23.6736 -8.0185 -8.0185 -6.5170 -6.5170 -6.2642 -6.2642 -6.0177 -6.0177 -4.7425 -4.7425 -4.7061 -4.7061 -4.6357 -4.6357 -4.3946 -4.3946 -4.2311 -4.2311 -3.5748 -3.5748 -3.4668 -3.4668 -3.3796 -3.3796 7.5891 7.5891 8.6657 8.6657 9.7146 9.7146 10.2254 10.2254 k = 0.1207 0.1707 0.6124 ( 3200 PWs) bands (ev): -24.6875 -24.6875 -23.7407 -23.7407 -23.7030 -23.7030 -23.6718 -23.6718 -8.0206 -8.0206 -6.5269 -6.5269 -6.2588 -6.2588 -5.9965 -5.9965 -4.7634 -4.7634 -4.7136 -4.7136 -4.6363 -4.6363 -4.3908 -4.3908 -4.2213 -4.2213 -3.5802 -3.5802 -3.4661 -3.4661 -3.3749 -3.3749 7.5592 7.5592 8.6351 8.6351 9.7530 9.7530 10.2876 10.2876 k = 0.1121 0.1585 0.6124 ( 3196 PWs) bands (ev): -24.6878 -24.6878 -23.7424 -23.7424 -23.7026 -23.7026 -23.6701 -23.6701 -8.0228 -8.0228 -6.5362 -6.5362 -6.2534 -6.2534 -5.9757 -5.9757 -4.7840 -4.7840 -4.7206 -4.7206 -4.6369 -4.6369 -4.3872 -4.3872 -4.2123 -4.2123 -3.5853 -3.5853 -3.4654 -3.4654 -3.3705 -3.3705 7.5305 7.5305 8.6065 8.6065 9.7900 9.7900 10.3472 10.3472 k = 0.1034 0.1463 0.6124 ( 3200 PWs) bands (ev): -24.6881 -24.6881 -23.7440 -23.7440 -23.7023 -23.7023 -23.6685 -23.6685 -8.0248 -8.0248 -6.5447 -6.5447 -6.2482 -6.2482 -5.9554 -5.9554 -4.8042 -4.8042 -4.7273 -4.7273 -4.6375 -4.6375 -4.3839 -4.3839 -4.2039 -4.2039 -3.5901 -3.5901 -3.4646 -3.4646 -3.3663 -3.3663 7.5032 7.5032 8.5801 8.5801 9.8254 9.8254 10.4039 10.4039 k = 0.0948 0.1341 0.6124 ( 3196 PWs) bands (ev): -24.6883 -24.6883 -23.7455 -23.7455 -23.7020 -23.7020 -23.6670 -23.6670 -8.0268 -8.0268 -6.5526 -6.5526 -6.2431 -6.2431 -5.9358 -5.9358 -4.8237 -4.8237 -4.7336 -4.7336 -4.6380 -4.6380 -4.3808 -4.3808 -4.1963 -4.1963 -3.5946 -3.5946 -3.4639 -3.4639 -3.3625 -3.3625 7.4775 7.4775 8.5557 8.5557 9.8589 9.8589 10.4570 10.4570 k = 0.0862 0.1219 0.6124 ( 3196 PWs) bands (ev): -24.6886 -24.6886 -23.7468 -23.7468 -23.7017 -23.7017 -23.6656 -23.6656 -8.0287 -8.0287 -6.5598 -6.5598 -6.2382 -6.2382 -5.9171 -5.9171 -4.8425 -4.8425 -4.7395 -4.7395 -4.6386 -4.6386 -4.3780 -4.3780 -4.1894 -4.1894 -3.5986 -3.5986 -3.4633 -3.4633 -3.3590 -3.3590 7.4536 7.4536 8.5335 8.5335 9.8903 9.8903 10.5061 10.5061 k = 0.0776 0.1097 0.6124 ( 3196 PWs) bands (ev): -24.6888 -24.6888 -23.7481 -23.7481 -23.7014 -23.7014 -23.6643 -23.6643 -8.0305 -8.0305 -6.5663 -6.5663 -6.2336 -6.2336 -5.8993 -5.8993 -4.8602 -4.8602 -4.7449 -4.7449 -4.6391 -4.6391 -4.3755 -4.3755 -4.1831 -4.1831 -3.6023 -3.6023 -3.4626 -3.4626 -3.3558 -3.3558 7.4316 7.4316 8.5135 8.5135 9.9194 9.9194 10.5510 10.5510 k = 0.0690 0.0975 0.6124 ( 3192 PWs) bands (ev): -24.6890 -24.6890 -23.7492 -23.7492 -23.7011 -23.7011 -23.6632 -23.6632 -8.0322 -8.0322 -6.5721 -6.5721 -6.2293 -6.2293 -5.8826 -5.8826 -4.8769 -4.8769 -4.7498 -4.7498 -4.6395 -4.6395 -4.3733 -4.3733 -4.1776 -4.1776 -3.6057 -3.6057 -3.4620 -3.4620 -3.3529 -3.3529 7.4116 7.4116 8.4955 8.4955 9.9459 9.9459 10.5913 10.5913 k = 0.0603 0.0853 0.6124 ( 3192 PWs) bands (ev): -24.6892 -24.6892 -23.7502 -23.7502 -23.7009 -23.7009 -23.6622 -23.6622 -8.0337 -8.0337 -6.5773 -6.5773 -6.2254 -6.2254 -5.8673 -5.8673 -4.8922 -4.8922 -4.7542 -4.7542 -4.6399 -4.6399 -4.3713 -4.3713 -4.1727 -4.1727 -3.6086 -3.6086 -3.4615 -3.4615 -3.3504 -3.3504 7.3938 7.3938 8.4796 8.4796 9.9696 9.9696 10.6268 10.6268 k = 0.0517 0.0731 0.6124 ( 3192 PWs) bands (ev): -24.6894 -24.6894 -23.7511 -23.7511 -23.7006 -23.7006 -23.6613 -23.6613 -8.0350 -8.0350 -6.5817 -6.5817 -6.2219 -6.2219 -5.8535 -5.8535 -4.9060 -4.9060 -4.7581 -4.7581 -4.6403 -4.6403 -4.3696 -4.3696 -4.1685 -4.1685 -3.6112 -3.6112 -3.4610 -3.4610 -3.3482 -3.3482 7.3782 7.3782 8.4659 8.4659 9.9905 9.9905 10.6575 10.6575 k = 0.0431 0.0610 0.6124 ( 3196 PWs) bands (ev): -24.6896 -24.6896 -23.7518 -23.7518 -23.7004 -23.7004 -23.6605 -23.6605 -8.0362 -8.0362 -6.5855 -6.5855 -6.2189 -6.2189 -5.8414 -5.8414 -4.9180 -4.9180 -4.7615 -4.7615 -4.6406 -4.6406 -4.3682 -4.3682 -4.1649 -4.1649 -3.6133 -3.6133 -3.4606 -3.4606 -3.3463 -3.3463 7.3648 7.3648 8.4543 8.4543 10.0084 10.0084 10.6832 10.6832 k = 0.0345 0.0488 0.6124 ( 3200 PWs) bands (ev): -24.6897 -24.6897 -23.7524 -23.7524 -23.7003 -23.7003 -23.6599 -23.6599 -8.0372 -8.0372 -6.5886 -6.5886 -6.2164 -6.2164 -5.8313 -5.8313 -4.9282 -4.9282 -4.7642 -4.7642 -4.6409 -4.6409 -4.3670 -4.3670 -4.1620 -4.1620 -3.6151 -3.6151 -3.4603 -3.4603 -3.3448 -3.3448 7.3538 7.3538 8.4448 8.4448 10.0232 10.0232 10.7041 10.7041 k = 0.0259 0.0366 0.6124 ( 3200 PWs) bands (ev): -24.6898 -24.6898 -23.7529 -23.7529 -23.7002 -23.7002 -23.6594 -23.6594 -8.0379 -8.0379 -6.5910 -6.5910 -6.2144 -6.2144 -5.8231 -5.8231 -4.9364 -4.9364 -4.7664 -4.7664 -4.6411 -4.6411 -4.3661 -4.3661 -4.1598 -4.1598 -3.6165 -3.6165 -3.4600 -3.4600 -3.3436 -3.3436 7.3452 7.3452 8.4374 8.4374 10.0348 10.0348 10.7203 10.7203 k = 0.0172 0.0244 0.6124 ( 3198 PWs) bands (ev): -24.6899 -24.6899 -23.7533 -23.7533 -23.7001 -23.7001 -23.6591 -23.6591 -8.0385 -8.0385 -6.5927 -6.5927 -6.2130 -6.2130 -5.8172 -5.8172 -4.9423 -4.9423 -4.7679 -4.7679 -4.6413 -4.6413 -4.3655 -4.3655 -4.1582 -4.1582 -3.6175 -3.6175 -3.4598 -3.4598 -3.3428 -3.3428 7.3391 7.3391 8.4321 8.4321 10.0431 10.0431 10.7318 10.7318 k = 0.0086 0.0122 0.6124 ( 3208 PWs) bands (ev): -24.6899 -24.6899 -23.7535 -23.7535 -23.7000 -23.7000 -23.6589 -23.6589 -8.0388 -8.0388 -6.5937 -6.5937 -6.2121 -6.2121 -5.8136 -5.8136 -4.9459 -4.9459 -4.7688 -4.7688 -4.6414 -4.6414 -4.3651 -4.3651 -4.1573 -4.1573 -3.6181 -3.6181 -3.4597 -3.4597 -3.3423 -3.3423 7.3353 7.3353 8.4290 8.4290 10.0481 10.0481 10.7386 10.7386 k = 0.0000 0.0000 0.6124 ( 3208 PWs) bands (ev): -24.6900 -24.6900 -23.7536 -23.7536 -23.7000 -23.7000 -23.6588 -23.6588 -8.0389 -8.0389 -6.5941 -6.5941 -6.2118 -6.2118 -5.8124 -5.8124 -4.9471 -4.9471 -4.7692 -4.7692 -4.6414 -4.6414 -4.3650 -4.3650 -4.1569 -4.1569 -3.6183 -3.6183 -3.4597 -3.4597 -3.3421 -3.3421 7.3341 7.3341 8.4279 8.4279 10.0498 10.0498 10.7409 10.7409 Writing output data file SiF4.save init_run : 2.43s CPU 10.94s WALL ( 1 calls) electrons : 199.54s CPU 203.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.56s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 199.53s CPU 203.68s WALL ( 1 calls) v_of_rho : 0.33s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.02s WALL ( 1 calls) v_xc : 0.33s CPU 0.61s WALL ( 1 calls) newd : 0.25s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 277 calls) cegterg : 178.49s CPU 179.80s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 91.99s CPU 95.54s WALL ( 6300 calls) s_psi : 3.55s CPU 4.03s WALL ( 6300 calls) g_psi : 0.19s CPU 0.29s WALL ( 5620 calls) cdiaghg : 55.99s CPU 55.28s WALL ( 5897 calls) cegterg:over : 18.12s CPU 16.32s WALL ( 5620 calls) cegterg:upda : 2.32s CPU 3.71s WALL ( 5620 calls) cegterg:last : 2.67s CPU 3.15s WALL ( 1234 calls) Called by h_psi: h_psi:vloc : 80.37s CPU 83.12s WALL ( 6300 calls) h_psi:vnl : 11.55s CPU 12.09s WALL ( 6300 calls) add_vuspsi : 1.53s CPU 3.28s WALL ( 6300 calls) General routines calbec : 10.00s CPU 8.73s WALL ( 6300 calls) fft : 0.75s CPU 1.49s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.78s CPU 77.59s WALL ( 590692 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.03s CPU 0.88s WALL ( 554 calls) Parallel routines fft_scatter : 54.40s CPU 54.96s WALL ( 590715 calls) PWSCF : 3m54.05s CPU 5m12.07s WALL This run was terminated on: 3:20:14 28Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=