Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:23:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba3xAlGex2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 100 79 23 1855 1289 205 Max 101 80 24 1858 1304 207 Sum 3621 2861 831 66821 46671 7417 bravais-lattice index = 14 lattice parameter (alat) = 19.7649 a.u. unit-cell volume = 1477.3305 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.764946 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.913909 celldm(5)= -0.881584 celldm(6)= 0.795493 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.795493 0.605963 0.000000 ) a(3) = ( -0.881584 -0.350873 0.315751 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.312775 1.333223 ) b(2) = ( 0.000000 1.650266 1.833829 ) b(3) = ( 0.000000 0.000000 3.167052 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( -0.0068944 0.0204284 0.0252863), wk = 0.0030769 k( 3) = ( -0.0137888 0.0408568 0.0505726), wk = 0.0030769 k( 4) = ( -0.0206832 0.0612851 0.0758589), wk = 0.0030769 k( 5) = ( -0.0275776 0.0817135 0.1011451), wk = 0.0030769 k( 6) = ( -0.0344720 0.1021419 0.1264315), wk = 0.0030769 k( 7) = ( -0.0413664 0.1225703 0.1517178), wk = 0.0030769 k( 8) = ( -0.0482608 0.1429987 0.1770040), wk = 0.0030769 k( 9) = ( -0.0551552 0.1634270 0.2022903), wk = 0.0030769 k( 10) = ( -0.0620496 0.1838554 0.2275766), wk = 0.0030769 k( 11) = ( -0.0689440 0.2042838 0.2528629), wk = 0.0030769 k( 12) = ( -0.0758384 0.2247122 0.2781492), wk = 0.0030769 k( 13) = ( -0.0827327 0.2451406 0.3034355), wk = 0.0030769 k( 14) = ( -0.0896272 0.2655689 0.3287218), wk = 0.0030769 k( 15) = ( -0.0965215 0.2859973 0.3540081), wk = 0.0030769 k( 16) = ( -0.1034159 0.3064257 0.3792944), wk = 0.0030769 k( 17) = ( -0.1103103 0.3268541 0.4045807), wk = 0.0030769 k( 18) = ( -0.1172047 0.3472825 0.4298669), wk = 0.0030769 k( 19) = ( -0.1240991 0.3677108 0.4551532), wk = 0.0030769 k( 20) = ( -0.1309935 0.3881392 0.4804395), wk = 0.0030769 k( 21) = ( -0.1378879 0.4085676 0.5057258), wk = 0.0030769 k( 22) = ( -0.1447823 0.4289960 0.5310121), wk = 0.0030769 k( 23) = ( -0.1516767 0.4494244 0.5562984), wk = 0.0030769 k( 24) = ( -0.1585711 0.4698527 0.5815847), wk = 0.0030769 k( 25) = ( -0.1654655 0.4902811 0.6068710), wk = 0.0030769 k( 26) = ( -0.1723599 0.5107095 0.6321573), wk = 0.0030769 k( 27) = ( -0.1792543 0.5311379 0.6574435), wk = 0.0030769 k( 28) = ( -0.1861487 0.5515663 0.6827298), wk = 0.0030769 k( 29) = ( -0.1930431 0.5719946 0.7080161), wk = 0.0030769 k( 30) = ( -0.1999375 0.5924230 0.7333024), wk = 0.0030769 k( 31) = ( -0.2068319 0.6128514 0.7585887), wk = 0.0030769 k( 32) = ( -0.2137263 0.6332798 0.7838750), wk = 0.0030769 k( 33) = ( -0.2206207 0.6537082 0.8091613), wk = 0.0030769 k( 34) = ( -0.2275151 0.6741365 0.8344476), wk = 0.0030769 k( 35) = ( -0.2344095 0.6945649 0.8597339), wk = 0.0030769 k( 36) = ( -0.2413039 0.7149933 0.8850202), wk = 0.0030769 k( 37) = ( -0.2481983 0.7354217 0.9103064), wk = 0.0030769 k( 38) = ( -0.2550926 0.7558501 0.9355927), wk = 0.0030769 k( 39) = ( -0.2619870 0.7762784 0.9608791), wk = 0.0030769 k( 40) = ( -0.2619870 0.7762784 0.9608791), wk = 0.0030769 k( 41) = ( -0.2539349 0.7524196 0.9823496), wk = 0.0030769 k( 42) = ( -0.2458828 0.7285608 1.0038202), wk = 0.0030769 k( 43) = ( -0.2378306 0.7047020 1.0252908), wk = 0.0030769 k( 44) = ( -0.2297785 0.6808432 1.0467614), wk = 0.0030769 k( 45) = ( -0.2217264 0.6569844 1.0682320), wk = 0.0030769 k( 46) = ( -0.2136742 0.6331255 1.0897026), wk = 0.0030769 k( 47) = ( -0.2056221 0.6092667 1.1111732), wk = 0.0030769 k( 48) = ( -0.1975699 0.5854079 1.1326438), wk = 0.0030769 k( 49) = ( -0.1895178 0.5615491 1.1541143), wk = 0.0030769 k( 50) = ( -0.1814657 0.5376903 1.1755849), wk = 0.0030769 k( 51) = ( -0.1734135 0.5138314 1.1970555), wk = 0.0030769 k( 52) = ( -0.1653614 0.4899727 1.2185261), wk = 0.0030769 k( 53) = ( -0.1573093 0.4661138 1.2399967), wk = 0.0030769 k( 54) = ( -0.1492571 0.4422550 1.2614673), wk = 0.0030769 k( 55) = ( -0.1412050 0.4183962 1.2829379), wk = 0.0030769 k( 56) = ( -0.1331528 0.3945374 1.3044085), wk = 0.0030769 k( 57) = ( -0.1251007 0.3706786 1.3258791), wk = 0.0030769 k( 58) = ( -0.1170486 0.3468197 1.3473497), wk = 0.0030769 k( 59) = ( -0.1089964 0.3229609 1.3688203), wk = 0.0030769 k( 60) = ( -0.1009443 0.2991021 1.3902909), wk = 0.0030769 k( 61) = ( -0.0928922 0.2752433 1.4117614), wk = 0.0030769 k( 62) = ( -0.0848400 0.2513845 1.4332320), wk = 0.0030769 k( 63) = ( -0.0767879 0.2275257 1.4547026), wk = 0.0030769 k( 64) = ( -0.0687357 0.2036668 1.4761732), wk = 0.0030769 k( 65) = ( -0.0606836 0.1798080 1.4976438), wk = 0.0030769 k( 66) = ( -0.0526315 0.1559492 1.5191144), wk = 0.0030769 k( 67) = ( -0.0445793 0.1320904 1.5405850), wk = 0.0030769 k( 68) = ( -0.0365272 0.1082316 1.5620556), wk = 0.0030769 k( 69) = ( -0.0284751 0.0843728 1.5835261), wk = 0.0030769 k( 70) = ( -0.0284751 0.0843728 1.5835261), wk = 0.0030769 k( 71) = ( -0.0189834 0.0562485 1.5835262), wk = 0.0030769 k( 72) = ( -0.0094917 0.0281243 1.5835262), wk = 0.0030769 k( 73) = ( 0.0000000 0.0000000 1.5835262), wk = 0.0030769 k( 74) = ( 0.0000000 0.0000000 1.5835262), wk = 0.0030769 k( 75) = ( 0.0312500 0.0105466 1.5835262), wk = 0.0030769 k( 76) = ( 0.0625000 0.0210932 1.5835262), wk = 0.0030769 k( 77) = ( 0.0937500 0.0316398 1.5835262), wk = 0.0030769 k( 78) = ( 0.1250000 0.0421864 1.5835262), wk = 0.0030769 k( 79) = ( 0.1562500 0.0527330 1.5835262), wk = 0.0030769 k( 80) = ( 0.1875000 0.0632796 1.5835262), wk = 0.0030769 k( 81) = ( 0.2187500 0.0738262 1.5835262), wk = 0.0030769 k( 82) = ( 0.2500000 0.0843728 1.5835262), wk = 0.0030769 k( 83) = ( 0.2500000 0.0843728 1.5835262), wk = 0.0030769 k( 84) = ( 0.2419355 0.1082683 1.5620225), wk = 0.0030769 k( 85) = ( 0.2338710 0.1321638 1.5405190), wk = 0.0030769 k( 86) = ( 0.2258064 0.1560593 1.5190154), wk = 0.0030769 k( 87) = ( 0.2177419 0.1799547 1.4975118), wk = 0.0030769 k( 88) = ( 0.2096774 0.2038502 1.4760082), wk = 0.0030769 k( 89) = ( 0.2016129 0.2277457 1.4545046), wk = 0.0030769 k( 90) = ( 0.1935484 0.2516412 1.4330010), wk = 0.0030769 k( 91) = ( 0.1854839 0.2755367 1.4114974), wk = 0.0030769 k( 92) = ( 0.1774194 0.2994322 1.3899938), wk = 0.0030769 k( 93) = ( 0.1693548 0.3233277 1.3684902), wk = 0.0030769 k( 94) = ( 0.1612903 0.3472232 1.3469866), wk = 0.0030769 k( 95) = ( 0.1532258 0.3711187 1.3254830), wk = 0.0030769 k( 96) = ( 0.1451613 0.3950142 1.3039794), wk = 0.0030769 k( 97) = ( 0.1370968 0.4189097 1.2824758), wk = 0.0030769 k( 98) = ( 0.1290323 0.4428052 1.2609722), wk = 0.0030769 k( 99) = ( 0.1209677 0.4667007 1.2394686), wk = 0.0030769 k( 100) = ( 0.1129032 0.4905962 1.2179650), wk = 0.0030769 k( 101) = ( 0.1048387 0.5144917 1.1964614), wk = 0.0030769 k( 102) = ( 0.0967742 0.5383872 1.1749578), wk = 0.0030769 k( 103) = ( 0.0887097 0.5622826 1.1534542), wk = 0.0030769 k( 104) = ( 0.0806452 0.5861782 1.1319506), wk = 0.0030769 k( 105) = ( 0.0725806 0.6100736 1.1104470), wk = 0.0030769 k( 106) = ( 0.0645161 0.6339691 1.0889434), wk = 0.0030769 k( 107) = ( 0.0564516 0.6578646 1.0674398), wk = 0.0030769 k( 108) = ( 0.0483871 0.6817601 1.0459362), wk = 0.0030769 k( 109) = ( 0.0403226 0.7056556 1.0244326), wk = 0.0030769 k( 110) = ( 0.0322581 0.7295511 1.0029290), wk = 0.0030769 k( 111) = ( 0.0241936 0.7534466 0.9814254), wk = 0.0030769 k( 112) = ( 0.0161290 0.7773421 0.9599218), wk = 0.0030769 k( 113) = ( 0.0080645 0.8012376 0.9384183), wk = 0.0030769 k( 114) = ( 0.0000000 0.8251331 0.9169146), wk = 0.0030769 k( 115) = ( 0.0000000 0.8251331 0.9169146), wk = 0.0030769 k( 116) = ( 0.0291097 0.8305614 0.9120297), wk = 0.0030769 k( 117) = ( 0.0582193 0.8359897 0.9071448), wk = 0.0030769 k( 118) = ( 0.0873290 0.8414180 0.9022598), wk = 0.0030769 k( 119) = ( 0.1164387 0.8468463 0.8973749), wk = 0.0030769 k( 120) = ( 0.1455484 0.8522746 0.8924900), wk = 0.0030769 k( 121) = ( 0.1746580 0.8577029 0.8876050), wk = 0.0030769 k( 122) = ( 0.2037677 0.8631312 0.8827201), wk = 0.0030769 k( 123) = ( 0.2328774 0.8685595 0.8778352), wk = 0.0030769 k( 124) = ( 0.2619870 0.8739877 0.8729502), wk = 0.0030769 k( 125) = ( 0.2619870 0.8739877 0.8729502), wk = 0.0030769 k( 126) = ( 0.2687874 0.8538380 0.8480088), wk = 0.0030769 k( 127) = ( 0.2755878 0.8336882 0.8230674), wk = 0.0030769 k( 128) = ( 0.2823882 0.8135384 0.7981259), wk = 0.0030769 k( 129) = ( 0.2891885 0.7933886 0.7731845), wk = 0.0030769 k( 130) = ( 0.2959889 0.7732389 0.7482431), wk = 0.0030769 k( 131) = ( 0.3027893 0.7530891 0.7233016), wk = 0.0030769 k( 132) = ( 0.3095896 0.7329393 0.6983602), wk = 0.0030769 k( 133) = ( 0.3163900 0.7127895 0.6734188), wk = 0.0030769 k( 134) = ( 0.3231904 0.6926397 0.6484773), wk = 0.0030769 k( 135) = ( 0.3299907 0.6724900 0.6235359), wk = 0.0030769 k( 136) = ( 0.3367911 0.6523402 0.5985945), wk = 0.0030769 k( 137) = ( 0.3435915 0.6321904 0.5736530), wk = 0.0030769 k( 138) = ( 0.3503919 0.6120406 0.5487116), wk = 0.0030769 k( 139) = ( 0.3571922 0.5918909 0.5237701), wk = 0.0030769 k( 140) = ( 0.3639926 0.5717411 0.4988287), wk = 0.0030769 k( 141) = ( 0.3707930 0.5515913 0.4738873), wk = 0.0030769 k( 142) = ( 0.3775933 0.5314415 0.4489458), wk = 0.0030769 k( 143) = ( 0.3843937 0.5112917 0.4240044), wk = 0.0030769 k( 144) = ( 0.3911941 0.4911420 0.3990630), wk = 0.0030769 k( 145) = ( 0.3979944 0.4709922 0.3741215), wk = 0.0030769 k( 146) = ( 0.4047948 0.4508424 0.3491801), wk = 0.0030769 k( 147) = ( 0.4115952 0.4306926 0.3242387), wk = 0.0030769 k( 148) = ( 0.4183956 0.4105429 0.2992972), wk = 0.0030769 k( 149) = ( 0.4251959 0.3903931 0.2743558), wk = 0.0030769 k( 150) = ( 0.4319963 0.3702433 0.2494144), wk = 0.0030769 k( 151) = ( 0.4387967 0.3500935 0.2244729), wk = 0.0030769 k( 152) = ( 0.4455970 0.3299438 0.1995315), wk = 0.0030769 k( 153) = ( 0.4523974 0.3097940 0.1745900), wk = 0.0030769 k( 154) = ( 0.4591978 0.2896442 0.1496486), wk = 0.0030769 k( 155) = ( 0.4659981 0.2694944 0.1247072), wk = 0.0030769 k( 156) = ( 0.4727985 0.2493446 0.0997657), wk = 0.0030769 k( 157) = ( 0.4795989 0.2291949 0.0748243), wk = 0.0030769 k( 158) = ( 0.4863993 0.2090451 0.0498829), wk = 0.0030769 k( 159) = ( 0.4931996 0.1888953 0.0249414), wk = 0.0030769 k( 160) = ( 0.5000000 0.1687455 -0.0000000), wk = 0.0030769 k( 161) = ( 0.5000000 0.1687455 -0.0000000), wk = 0.0030769 k( 162) = ( 0.4687500 0.1581989 -0.0000000), wk = 0.0030769 k( 163) = ( 0.4375000 0.1476523 -0.0000000), wk = 0.0030769 k( 164) = ( 0.4062500 0.1371058 -0.0000000), wk = 0.0030769 k( 165) = ( 0.3750000 0.1265592 -0.0000000), wk = 0.0030769 k( 166) = ( 0.3437500 0.1160126 -0.0000000), wk = 0.0030769 k( 167) = ( 0.3125000 0.1054660 -0.0000000), wk = 0.0030769 k( 168) = ( 0.2812500 0.0949194 -0.0000000), wk = 0.0030769 k( 169) = ( 0.2500000 0.0843728 -0.0000000), wk = 0.0030769 k( 170) = ( 0.2187500 0.0738262 -0.0000000), wk = 0.0030769 k( 171) = ( 0.1875000 0.0632796 -0.0000000), wk = 0.0030769 k( 172) = ( 0.1562500 0.0527330 -0.0000000), wk = 0.0030769 k( 173) = ( 0.1250000 0.0421864 -0.0000000), wk = 0.0030769 k( 174) = ( 0.0937500 0.0316398 -0.0000000), wk = 0.0030769 k( 175) = ( 0.0625000 0.0210932 -0.0000000), wk = 0.0030769 k( 176) = ( 0.0312500 0.0105466 -0.0000000), wk = 0.0030769 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 179) = ( 0.0080754 -0.0239277 0.0215326), wk = 0.0030769 k( 180) = ( 0.0161508 -0.0478555 0.0430652), wk = 0.0030769 k( 181) = ( 0.0242262 -0.0717832 0.0645978), wk = 0.0030769 k( 182) = ( 0.0323016 -0.0957109 0.0861304), wk = 0.0030769 k( 183) = ( 0.0403770 -0.1196386 0.1076630), wk = 0.0030769 k( 184) = ( 0.0484524 -0.1435664 0.1291956), wk = 0.0030769 k( 185) = ( 0.0565278 -0.1674941 0.1507282), wk = 0.0030769 k( 186) = ( 0.0646031 -0.1914218 0.1722608), wk = 0.0030769 k( 187) = ( 0.0726785 -0.2153495 0.1937934), wk = 0.0030769 k( 188) = ( 0.0807539 -0.2392773 0.2153260), wk = 0.0030769 k( 189) = ( 0.0888293 -0.2632050 0.2368586), wk = 0.0030769 k( 190) = ( 0.0969047 -0.2871327 0.2583912), wk = 0.0030769 k( 191) = ( 0.1049801 -0.3110605 0.2799239), wk = 0.0030769 k( 192) = ( 0.1130555 -0.3349882 0.3014564), wk = 0.0030769 k( 193) = ( 0.1211309 -0.3589159 0.3229890), wk = 0.0030769 k( 194) = ( 0.1292063 -0.3828436 0.3445217), wk = 0.0030769 k( 195) = ( 0.1372817 -0.4067713 0.3660542), wk = 0.0030769 k( 196) = ( 0.1453571 -0.4306991 0.3875869), wk = 0.0030769 k( 197) = ( 0.1534325 -0.4546268 0.4091195), wk = 0.0030769 k( 198) = ( 0.1615079 -0.4785545 0.4306521), wk = 0.0030769 k( 199) = ( 0.1695833 -0.5024823 0.4521847), wk = 0.0030769 k( 200) = ( 0.1776587 -0.5264100 0.4737173), wk = 0.0030769 k( 201) = ( 0.1857341 -0.5503377 0.4952499), wk = 0.0030769 k( 202) = ( 0.1938095 -0.5742654 0.5167825), wk = 0.0030769 k( 203) = ( 0.2018849 -0.5981932 0.5383151), wk = 0.0030769 k( 204) = ( 0.2099602 -0.6221209 0.5598477), wk = 0.0030769 k( 205) = ( 0.2180356 -0.6460486 0.5813803), wk = 0.0030769 k( 206) = ( 0.2261110 -0.6699763 0.6029129), wk = 0.0030769 k( 207) = ( 0.2341864 -0.6939041 0.6244455), wk = 0.0030769 k( 208) = ( 0.2422618 -0.7178318 0.6459781), wk = 0.0030769 k( 209) = ( 0.2503372 -0.7417595 0.6675107), wk = 0.0030769 k( 210) = ( 0.2584126 -0.7656873 0.6890433), wk = 0.0030769 k( 211) = ( 0.2664880 -0.7896150 0.7105759), wk = 0.0030769 k( 212) = ( 0.2664880 -0.7896150 0.7105759), wk = 0.0030769 k( 213) = ( 0.2924338 -0.7748119 0.7056910), wk = 0.0030769 k( 214) = ( 0.3183796 -0.7600089 0.7008060), wk = 0.0030769 k( 215) = ( 0.3443253 -0.7452058 0.6959211), wk = 0.0030769 k( 216) = ( 0.3702711 -0.7304028 0.6910362), wk = 0.0030769 k( 217) = ( 0.3962169 -0.7155997 0.6861512), wk = 0.0030769 k( 218) = ( 0.4221627 -0.7007967 0.6812663), wk = 0.0030769 k( 219) = ( 0.4481084 -0.6859937 0.6763814), wk = 0.0030769 k( 220) = ( 0.4740542 -0.6711906 0.6714964), wk = 0.0030769 k( 221) = ( 0.5000000 -0.6563876 0.6666115), wk = 0.0030769 k( 222) = ( 0.5000000 -0.6563876 0.6666115), wk = 0.0030769 k( 223) = ( 0.4932432 -0.6363670 0.6913930), wk = 0.0030769 k( 224) = ( 0.4864865 -0.6163465 0.7161744), wk = 0.0030769 k( 225) = ( 0.4797297 -0.5963259 0.7409559), wk = 0.0030769 k( 226) = ( 0.4729730 -0.5763053 0.7657374), wk = 0.0030769 k( 227) = ( 0.4662162 -0.5562848 0.7905189), wk = 0.0030769 k( 228) = ( 0.4594595 -0.5362643 0.8153004), wk = 0.0030769 k( 229) = ( 0.4527027 -0.5162437 0.8400819), wk = 0.0030769 k( 230) = ( 0.4459459 -0.4962232 0.8648633), wk = 0.0030769 k( 231) = ( 0.4391892 -0.4762026 0.8896448), wk = 0.0030769 k( 232) = ( 0.4324324 -0.4561821 0.9144263), wk = 0.0030769 k( 233) = ( 0.4256757 -0.4361615 0.9392077), wk = 0.0030769 k( 234) = ( 0.4189189 -0.4161410 0.9639892), wk = 0.0030769 k( 235) = ( 0.4121622 -0.3961204 0.9887707), wk = 0.0030769 k( 236) = ( 0.4054054 -0.3760999 1.0135522), wk = 0.0030769 k( 237) = ( 0.3986486 -0.3560793 1.0383337), wk = 0.0030769 k( 238) = ( 0.3918919 -0.3360588 1.0631151), wk = 0.0030769 k( 239) = ( 0.3851351 -0.3160382 1.0878966), wk = 0.0030769 k( 240) = ( 0.3783784 -0.2960177 1.1126781), wk = 0.0030769 k( 241) = ( 0.3716216 -0.2759971 1.1374596), wk = 0.0030769 k( 242) = ( 0.3648649 -0.2559766 1.1622411), wk = 0.0030769 k( 243) = ( 0.3581081 -0.2359560 1.1870225), wk = 0.0030769 k( 244) = ( 0.3513514 -0.2159355 1.2118040), wk = 0.0030769 k( 245) = ( 0.3445946 -0.1959149 1.2365855), wk = 0.0030769 k( 246) = ( 0.3378378 -0.1758944 1.2613669), wk = 0.0030769 k( 247) = ( 0.3310811 -0.1558738 1.2861484), wk = 0.0030769 k( 248) = ( 0.3243243 -0.1358533 1.3109299), wk = 0.0030769 k( 249) = ( 0.3175676 -0.1158327 1.3357114), wk = 0.0030769 k( 250) = ( 0.3108108 -0.0958122 1.3604929), wk = 0.0030769 k( 251) = ( 0.3040541 -0.0757916 1.3852744), wk = 0.0030769 k( 252) = ( 0.2972973 -0.0557711 1.4100558), wk = 0.0030769 k( 253) = ( 0.2905405 -0.0357505 1.4348373), wk = 0.0030769 k( 254) = ( 0.2837838 -0.0157300 1.4596188), wk = 0.0030769 k( 255) = ( 0.2770270 0.0042906 1.4844002), wk = 0.0030769 k( 256) = ( 0.2702703 0.0243111 1.5091817), wk = 0.0030769 k( 257) = ( 0.2635135 0.0443317 1.5339632), wk = 0.0030769 k( 258) = ( 0.2567568 0.0643522 1.5587447), wk = 0.0030769 k( 259) = ( 0.2500000 0.0843728 1.5835262), wk = 0.0030769 k( 260) = ( 0.0284751 -0.0843728 1.5835262), wk = 0.0030769 k( 261) = ( 0.0352754 -0.1045226 1.5585847), wk = 0.0030769 k( 262) = ( 0.0420758 -0.1246723 1.5336433), wk = 0.0030769 k( 263) = ( 0.0488762 -0.1448221 1.5087018), wk = 0.0030769 k( 264) = ( 0.0556765 -0.1649719 1.4837604), wk = 0.0030769 k( 265) = ( 0.0624769 -0.1851217 1.4588190), wk = 0.0030769 k( 266) = ( 0.0692773 -0.2052714 1.4338775), wk = 0.0030769 k( 267) = ( 0.0760776 -0.2254212 1.4089361), wk = 0.0030769 k( 268) = ( 0.0828780 -0.2455710 1.3839947), wk = 0.0030769 k( 269) = ( 0.0896784 -0.2657208 1.3590532), wk = 0.0030769 k( 270) = ( 0.0964788 -0.2858705 1.3341118), wk = 0.0030769 k( 271) = ( 0.1032791 -0.3060203 1.3091703), wk = 0.0030769 k( 272) = ( 0.1100795 -0.3261701 1.2842289), wk = 0.0030769 k( 273) = ( 0.1168799 -0.3463199 1.2592875), wk = 0.0030769 k( 274) = ( 0.1236802 -0.3664697 1.2343460), wk = 0.0030769 k( 275) = ( 0.1304806 -0.3866194 1.2094046), wk = 0.0030769 k( 276) = ( 0.1372810 -0.4067692 1.1844632), wk = 0.0030769 k( 277) = ( 0.1440813 -0.4269190 1.1595217), wk = 0.0030769 k( 278) = ( 0.1508817 -0.4470688 1.1345803), wk = 0.0030769 k( 279) = ( 0.1576821 -0.4672185 1.1096389), wk = 0.0030769 k( 280) = ( 0.1644825 -0.4873683 1.0846974), wk = 0.0030769 k( 281) = ( 0.1712828 -0.5075181 1.0597560), wk = 0.0030769 k( 282) = ( 0.1780832 -0.5276679 1.0348146), wk = 0.0030769 k( 283) = ( 0.1848836 -0.5478177 1.0098731), wk = 0.0030769 k( 284) = ( 0.1916839 -0.5679674 0.9849317), wk = 0.0030769 k( 285) = ( 0.1984843 -0.5881172 0.9599902), wk = 0.0030769 k( 286) = ( 0.2052847 -0.6082670 0.9350488), wk = 0.0030769 k( 287) = ( 0.2120850 -0.6284168 0.9101074), wk = 0.0030769 k( 288) = ( 0.2188854 -0.6485665 0.8851659), wk = 0.0030769 k( 289) = ( 0.2256858 -0.6687163 0.8602245), wk = 0.0030769 k( 290) = ( 0.2324862 -0.6888661 0.8352831), wk = 0.0030769 k( 291) = ( 0.2392865 -0.7090159 0.8103416), wk = 0.0030769 k( 292) = ( 0.2460869 -0.7291656 0.7854002), wk = 0.0030769 k( 293) = ( 0.2528873 -0.7493154 0.7604588), wk = 0.0030769 k( 294) = ( 0.2596876 -0.7694652 0.7355173), wk = 0.0030769 k( 295) = ( 0.2664880 -0.7896150 0.7105759), wk = 0.0030769 k( 296) = ( 0.7335120 -0.5231601 0.6226471), wk = 0.0030769 k( 297) = ( 0.7254599 -0.4993013 0.6011765), wk = 0.0030769 k( 298) = ( 0.7174077 -0.4754425 0.5797059), wk = 0.0030769 k( 299) = ( 0.7093556 -0.4515837 0.5582354), wk = 0.0030769 k( 300) = ( 0.7013034 -0.4277249 0.5367648), wk = 0.0030769 k( 301) = ( 0.6932513 -0.4038660 0.5152942), wk = 0.0030769 k( 302) = ( 0.6851992 -0.3800072 0.4938236), wk = 0.0030769 k( 303) = ( 0.6771470 -0.3561484 0.4723530), wk = 0.0030769 k( 304) = ( 0.6690949 -0.3322896 0.4508824), wk = 0.0030769 k( 305) = ( 0.6610428 -0.3084308 0.4294118), wk = 0.0030769 k( 306) = ( 0.6529906 -0.2845720 0.4079412), wk = 0.0030769 k( 307) = ( 0.6449385 -0.2607132 0.3864706), wk = 0.0030769 k( 308) = ( 0.6368863 -0.2368543 0.3650000), wk = 0.0030769 k( 309) = ( 0.6288342 -0.2129955 0.3435294), wk = 0.0030769 k( 310) = ( 0.6207821 -0.1891367 0.3220588), wk = 0.0030769 k( 311) = ( 0.6127299 -0.1652779 0.3005883), wk = 0.0030769 k( 312) = ( 0.6046778 -0.1414191 0.2791177), wk = 0.0030769 k( 313) = ( 0.5966257 -0.1175603 0.2576471), wk = 0.0030769 k( 314) = ( 0.5885735 -0.0937014 0.2361765), wk = 0.0030769 k( 315) = ( 0.5805214 -0.0698426 0.2147059), wk = 0.0030769 k( 316) = ( 0.5724692 -0.0459838 0.1932353), wk = 0.0030769 k( 317) = ( 0.5644171 -0.0221250 0.1717647), wk = 0.0030769 k( 318) = ( 0.5563650 0.0017338 0.1502941), wk = 0.0030769 k( 319) = ( 0.5483128 0.0255926 0.1288236), wk = 0.0030769 k( 320) = ( 0.5402607 0.0494515 0.1073530), wk = 0.0030769 k( 321) = ( 0.5322086 0.0733103 0.0858824), wk = 0.0030769 k( 322) = ( 0.5241564 0.0971691 0.0644118), wk = 0.0030769 k( 323) = ( 0.5161043 0.1210279 0.0429412), wk = 0.0030769 k( 324) = ( 0.5080521 0.1448867 0.0214706), wk = 0.0030769 k( 325) = ( 0.5000000 0.1687455 -0.0000000), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( -0.0068944 0.0068944 0.0068944), wk = 0.0030769 k( 3) = ( -0.0137888 0.0137888 0.0137888), wk = 0.0030769 k( 4) = ( -0.0206832 0.0206832 0.0206832), wk = 0.0030769 k( 5) = ( -0.0275776 0.0275776 0.0275776), wk = 0.0030769 k( 6) = ( -0.0344720 0.0344720 0.0344720), wk = 0.0030769 k( 7) = ( -0.0413664 0.0413664 0.0413664), wk = 0.0030769 k( 8) = ( -0.0482608 0.0482608 0.0482608), wk = 0.0030769 k( 9) = ( -0.0551552 0.0551552 0.0551552), wk = 0.0030769 k( 10) = ( -0.0620496 0.0620496 0.0620496), wk = 0.0030769 k( 11) = ( -0.0689440 0.0689440 0.0689440), wk = 0.0030769 k( 12) = ( -0.0758384 0.0758384 0.0758384), wk = 0.0030769 k( 13) = ( -0.0827327 0.0827328 0.0827327), wk = 0.0030769 k( 14) = ( -0.0896272 0.0896272 0.0896272), wk = 0.0030769 k( 15) = ( -0.0965215 0.0965215 0.0965215), wk = 0.0030769 k( 16) = ( -0.1034159 0.1034159 0.1034159), wk = 0.0030769 k( 17) = ( -0.1103103 0.1103103 0.1103103), wk = 0.0030769 k( 18) = ( -0.1172047 0.1172047 0.1172047), wk = 0.0030769 k( 19) = ( -0.1240991 0.1240991 0.1240991), wk = 0.0030769 k( 20) = ( -0.1309935 0.1309935 0.1309935), wk = 0.0030769 k( 21) = ( -0.1378879 0.1378879 0.1378879), wk = 0.0030769 k( 22) = ( -0.1447823 0.1447823 0.1447823), wk = 0.0030769 k( 23) = ( -0.1516767 0.1516767 0.1516767), wk = 0.0030769 k( 24) = ( -0.1585711 0.1585711 0.1585711), wk = 0.0030769 k( 25) = ( -0.1654655 0.1654655 0.1654655), wk = 0.0030769 k( 26) = ( -0.1723599 0.1723599 0.1723599), wk = 0.0030769 k( 27) = ( -0.1792543 0.1792543 0.1792543), wk = 0.0030769 k( 28) = ( -0.1861487 0.1861487 0.1861487), wk = 0.0030769 k( 29) = ( -0.1930431 0.1930431 0.1930431), wk = 0.0030769 k( 30) = ( -0.1999375 0.1999375 0.1999375), wk = 0.0030769 k( 31) = ( -0.2068319 0.2068319 0.2068319), wk = 0.0030769 k( 32) = ( -0.2137263 0.2137263 0.2137263), wk = 0.0030769 k( 33) = ( -0.2206207 0.2206207 0.2206207), wk = 0.0030769 k( 34) = ( -0.2275151 0.2275151 0.2275151), wk = 0.0030769 k( 35) = ( -0.2344095 0.2344095 0.2344095), wk = 0.0030769 k( 36) = ( -0.2413039 0.2413039 0.2413039), wk = 0.0030769 k( 37) = ( -0.2481983 0.2481983 0.2481983), wk = 0.0030769 k( 38) = ( -0.2550926 0.2550927 0.2550926), wk = 0.0030769 k( 39) = ( -0.2619870 0.2619871 0.2619870), wk = 0.0030769 k( 40) = ( -0.2619870 0.2619871 0.2619870), wk = 0.0030769 k( 41) = ( -0.2539349 0.2539349 0.2700392), wk = 0.0030769 k( 42) = ( -0.2458828 0.2458828 0.2780913), wk = 0.0030769 k( 43) = ( -0.2378306 0.2378306 0.2861435), wk = 0.0030769 k( 44) = ( -0.2297785 0.2297785 0.2941956), wk = 0.0030769 k( 45) = ( -0.2217264 0.2217264 0.3022477), wk = 0.0030769 k( 46) = ( -0.2136742 0.2136742 0.3102999), wk = 0.0030769 k( 47) = ( -0.2056221 0.2056221 0.3183520), wk = 0.0030769 k( 48) = ( -0.1975699 0.1975700 0.3264042), wk = 0.0030769 k( 49) = ( -0.1895178 0.1895178 0.3344563), wk = 0.0030769 k( 50) = ( -0.1814657 0.1814657 0.3425084), wk = 0.0030769 k( 51) = ( -0.1734135 0.1734135 0.3505606), wk = 0.0030769 k( 52) = ( -0.1653614 0.1653614 0.3586127), wk = 0.0030769 k( 53) = ( -0.1573093 0.1573093 0.3666648), wk = 0.0030769 k( 54) = ( -0.1492571 0.1492571 0.3747170), wk = 0.0030769 k( 55) = ( -0.1412050 0.1412050 0.3827691), wk = 0.0030769 k( 56) = ( -0.1331528 0.1331529 0.3908212), wk = 0.0030769 k( 57) = ( -0.1251007 0.1251007 0.3988734), wk = 0.0030769 k( 58) = ( -0.1170486 0.1170486 0.4069255), wk = 0.0030769 k( 59) = ( -0.1089964 0.1089964 0.4149777), wk = 0.0030769 k( 60) = ( -0.1009443 0.1009443 0.4230298), wk = 0.0030769 k( 61) = ( -0.0928922 0.0928922 0.4310819), wk = 0.0030769 k( 62) = ( -0.0848400 0.0848400 0.4391341), wk = 0.0030769 k( 63) = ( -0.0767879 0.0767879 0.4471862), wk = 0.0030769 k( 64) = ( -0.0687357 0.0687357 0.4552383), wk = 0.0030769 k( 65) = ( -0.0606836 0.0606836 0.4632905), wk = 0.0030769 k( 66) = ( -0.0526315 0.0526315 0.4713426), wk = 0.0030769 k( 67) = ( -0.0445793 0.0445793 0.4793948), wk = 0.0030769 k( 68) = ( -0.0365272 0.0365272 0.4874469), wk = 0.0030769 k( 69) = ( -0.0284751 0.0284751 0.4954990), wk = 0.0030769 k( 70) = ( -0.0284751 0.0284751 0.4954990), wk = 0.0030769 k( 71) = ( -0.0189834 0.0189834 0.4969994), wk = 0.0030769 k( 72) = ( -0.0094917 0.0094917 0.4984997), wk = 0.0030769 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030769 k( 75) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030769 k( 76) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030769 k( 77) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030769 k( 78) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030769 k( 79) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030769 k( 80) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030769 k( 81) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030769 k( 82) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 k( 83) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 k( 84) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0030769 k( 85) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0030769 k( 86) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0030769 k( 87) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0030769 k( 88) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0030769 k( 89) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0030769 k( 90) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0030769 k( 91) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0030769 k( 92) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0030769 k( 93) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0030769 k( 94) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0030769 k( 95) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0030769 k( 96) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0030769 k( 97) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0030769 k( 98) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0030769 k( 99) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0030769 k( 100) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0030769 k( 101) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0030769 k( 102) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0030769 k( 103) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0030769 k( 104) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0030769 k( 105) = ( 0.0725806 0.4274194 0.0725806), wk = 0.0030769 k( 106) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0030769 k( 107) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0030769 k( 108) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0030769 k( 109) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0030769 k( 110) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0030769 k( 111) = ( 0.0241936 0.4758064 0.0241936), wk = 0.0030769 k( 112) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0030769 k( 113) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0030769 k( 114) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 115) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 116) = ( 0.0291097 0.5264459 -0.0291097), wk = 0.0030769 k( 117) = ( 0.0582193 0.5528918 -0.0582193), wk = 0.0030769 k( 118) = ( 0.0873290 0.5793377 -0.0873290), wk = 0.0030769 k( 119) = ( 0.1164387 0.6057835 -0.1164387), wk = 0.0030769 k( 120) = ( 0.1455484 0.6322294 -0.1455484), wk = 0.0030769 k( 121) = ( 0.1746580 0.6586753 -0.1746580), wk = 0.0030769 k( 122) = ( 0.2037677 0.6851212 -0.2037677), wk = 0.0030769 k( 123) = ( 0.2328774 0.7115671 -0.2328774), wk = 0.0030769 k( 124) = ( 0.2619870 0.7380130 -0.2619870), wk = 0.0030769 k( 125) = ( 0.2619870 0.7380130 -0.2619870), wk = 0.0030769 k( 126) = ( 0.2687874 0.7312126 -0.2687874), wk = 0.0030769 k( 127) = ( 0.2755878 0.7244122 -0.2755878), wk = 0.0030769 k( 128) = ( 0.2823882 0.7176118 -0.2823882), wk = 0.0030769 k( 129) = ( 0.2891885 0.7108115 -0.2891885), wk = 0.0030769 k( 130) = ( 0.2959889 0.7040111 -0.2959889), wk = 0.0030769 k( 131) = ( 0.3027893 0.6972107 -0.3027893), wk = 0.0030769 k( 132) = ( 0.3095896 0.6904104 -0.3095896), wk = 0.0030769 k( 133) = ( 0.3163900 0.6836100 -0.3163900), wk = 0.0030769 k( 134) = ( 0.3231904 0.6768096 -0.3231904), wk = 0.0030769 k( 135) = ( 0.3299907 0.6700093 -0.3299907), wk = 0.0030769 k( 136) = ( 0.3367911 0.6632089 -0.3367911), wk = 0.0030769 k( 137) = ( 0.3435915 0.6564085 -0.3435915), wk = 0.0030769 k( 138) = ( 0.3503919 0.6496081 -0.3503919), wk = 0.0030769 k( 139) = ( 0.3571922 0.6428078 -0.3571922), wk = 0.0030769 k( 140) = ( 0.3639926 0.6360074 -0.3639926), wk = 0.0030769 k( 141) = ( 0.3707930 0.6292070 -0.3707930), wk = 0.0030769 k( 142) = ( 0.3775933 0.6224067 -0.3775933), wk = 0.0030769 k( 143) = ( 0.3843937 0.6156063 -0.3843937), wk = 0.0030769 k( 144) = ( 0.3911941 0.6088059 -0.3911941), wk = 0.0030769 k( 145) = ( 0.3979944 0.6020056 -0.3979945), wk = 0.0030769 k( 146) = ( 0.4047948 0.5952052 -0.4047948), wk = 0.0030769 k( 147) = ( 0.4115952 0.5884048 -0.4115952), wk = 0.0030769 k( 148) = ( 0.4183956 0.5816044 -0.4183956), wk = 0.0030769 k( 149) = ( 0.4251959 0.5748041 -0.4251959), wk = 0.0030769 k( 150) = ( 0.4319963 0.5680037 -0.4319963), wk = 0.0030769 k( 151) = ( 0.4387967 0.5612033 -0.4387967), wk = 0.0030769 k( 152) = ( 0.4455970 0.5544030 -0.4455970), wk = 0.0030769 k( 153) = ( 0.4523974 0.5476026 -0.4523974), wk = 0.0030769 k( 154) = ( 0.4591978 0.5408022 -0.4591978), wk = 0.0030769 k( 155) = ( 0.4659981 0.5340019 -0.4659981), wk = 0.0030769 k( 156) = ( 0.4727985 0.5272015 -0.4727985), wk = 0.0030769 k( 157) = ( 0.4795989 0.5204011 -0.4795989), wk = 0.0030769 k( 158) = ( 0.4863993 0.5136007 -0.4863993), wk = 0.0030769 k( 159) = ( 0.4931996 0.5068004 -0.4931996), wk = 0.0030769 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 k( 162) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0030769 k( 163) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0030769 k( 164) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0030769 k( 165) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0030769 k( 166) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0030769 k( 167) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0030769 k( 168) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0030769 k( 169) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030769 k( 170) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0030769 k( 171) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0030769 k( 172) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0030769 k( 173) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0030769 k( 174) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0030769 k( 175) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0030769 k( 176) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0030769 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 179) = ( 0.0080754 -0.0080754 0.0080754), wk = 0.0030769 k( 180) = ( 0.0161508 -0.0161508 0.0161508), wk = 0.0030769 k( 181) = ( 0.0242262 -0.0242262 0.0242262), wk = 0.0030769 k( 182) = ( 0.0323016 -0.0323016 0.0323016), wk = 0.0030769 k( 183) = ( 0.0403770 -0.0403770 0.0403770), wk = 0.0030769 k( 184) = ( 0.0484524 -0.0484524 0.0484524), wk = 0.0030769 k( 185) = ( 0.0565278 -0.0565278 0.0565278), wk = 0.0030769 k( 186) = ( 0.0646031 -0.0646031 0.0646031), wk = 0.0030769 k( 187) = ( 0.0726785 -0.0726786 0.0726785), wk = 0.0030769 k( 188) = ( 0.0807539 -0.0807539 0.0807539), wk = 0.0030769 k( 189) = ( 0.0888293 -0.0888293 0.0888293), wk = 0.0030769 k( 190) = ( 0.0969047 -0.0969047 0.0969047), wk = 0.0030769 k( 191) = ( 0.1049801 -0.1049801 0.1049801), wk = 0.0030769 k( 192) = ( 0.1130555 -0.1130555 0.1130555), wk = 0.0030769 k( 193) = ( 0.1211309 -0.1211309 0.1211309), wk = 0.0030769 k( 194) = ( 0.1292063 -0.1292063 0.1292063), wk = 0.0030769 k( 195) = ( 0.1372817 -0.1372817 0.1372817), wk = 0.0030769 k( 196) = ( 0.1453571 -0.1453571 0.1453571), wk = 0.0030769 k( 197) = ( 0.1534325 -0.1534325 0.1534325), wk = 0.0030769 k( 198) = ( 0.1615079 -0.1615079 0.1615079), wk = 0.0030769 k( 199) = ( 0.1695833 -0.1695833 0.1695833), wk = 0.0030769 k( 200) = ( 0.1776587 -0.1776587 0.1776587), wk = 0.0030769 k( 201) = ( 0.1857341 -0.1857341 0.1857341), wk = 0.0030769 k( 202) = ( 0.1938095 -0.1938095 0.1938095), wk = 0.0030769 k( 203) = ( 0.2018849 -0.2018849 0.2018849), wk = 0.0030769 k( 204) = ( 0.2099602 -0.2099602 0.2099602), wk = 0.0030769 k( 205) = ( 0.2180356 -0.2180356 0.2180356), wk = 0.0030769 k( 206) = ( 0.2261110 -0.2261110 0.2261110), wk = 0.0030769 k( 207) = ( 0.2341864 -0.2341864 0.2341864), wk = 0.0030769 k( 208) = ( 0.2422618 -0.2422618 0.2422618), wk = 0.0030769 k( 209) = ( 0.2503372 -0.2503372 0.2503372), wk = 0.0030769 k( 210) = ( 0.2584126 -0.2584126 0.2584126), wk = 0.0030769 k( 211) = ( 0.2664880 -0.2664880 0.2664880), wk = 0.0030769 k( 212) = ( 0.2664880 -0.2664880 0.2664880), wk = 0.0030769 k( 213) = ( 0.2924338 -0.2368782 0.2368782), wk = 0.0030769 k( 214) = ( 0.3183796 -0.2072685 0.2072685), wk = 0.0030769 k( 215) = ( 0.3443253 -0.1776587 0.1776587), wk = 0.0030769 k( 216) = ( 0.3702711 -0.1480489 0.1480489), wk = 0.0030769 k( 217) = ( 0.3962169 -0.1184391 0.1184391), wk = 0.0030769 k( 218) = ( 0.4221627 -0.0888293 0.0888293), wk = 0.0030769 k( 219) = ( 0.4481084 -0.0592196 0.0592196), wk = 0.0030769 k( 220) = ( 0.4740542 -0.0296098 0.0296098), wk = 0.0030769 k( 221) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030769 k( 223) = ( 0.4932432 0.0067568 0.0067568), wk = 0.0030769 k( 224) = ( 0.4864865 0.0135135 0.0135135), wk = 0.0030769 k( 225) = ( 0.4797297 0.0202703 0.0202703), wk = 0.0030769 k( 226) = ( 0.4729730 0.0270270 0.0270270), wk = 0.0030769 k( 227) = ( 0.4662162 0.0337838 0.0337838), wk = 0.0030769 k( 228) = ( 0.4594595 0.0405405 0.0405405), wk = 0.0030769 k( 229) = ( 0.4527027 0.0472973 0.0472973), wk = 0.0030769 k( 230) = ( 0.4459459 0.0540540 0.0540540), wk = 0.0030769 k( 231) = ( 0.4391892 0.0608108 0.0608108), wk = 0.0030769 k( 232) = ( 0.4324324 0.0675676 0.0675676), wk = 0.0030769 k( 233) = ( 0.4256757 0.0743243 0.0743243), wk = 0.0030769 k( 234) = ( 0.4189189 0.0810811 0.0810811), wk = 0.0030769 k( 235) = ( 0.4121622 0.0878378 0.0878378), wk = 0.0030769 k( 236) = ( 0.4054054 0.0945946 0.0945946), wk = 0.0030769 k( 237) = ( 0.3986486 0.1013513 0.1013513), wk = 0.0030769 k( 238) = ( 0.3918919 0.1081081 0.1081081), wk = 0.0030769 k( 239) = ( 0.3851351 0.1148649 0.1148649), wk = 0.0030769 k( 240) = ( 0.3783784 0.1216216 0.1216216), wk = 0.0030769 k( 241) = ( 0.3716216 0.1283784 0.1283784), wk = 0.0030769 k( 242) = ( 0.3648649 0.1351351 0.1351351), wk = 0.0030769 k( 243) = ( 0.3581081 0.1418919 0.1418919), wk = 0.0030769 k( 244) = ( 0.3513514 0.1486486 0.1486487), wk = 0.0030769 k( 245) = ( 0.3445946 0.1554054 0.1554054), wk = 0.0030769 k( 246) = ( 0.3378378 0.1621622 0.1621622), wk = 0.0030769 k( 247) = ( 0.3310811 0.1689189 0.1689189), wk = 0.0030769 k( 248) = ( 0.3243243 0.1756757 0.1756757), wk = 0.0030769 k( 249) = ( 0.3175676 0.1824324 0.1824324), wk = 0.0030769 k( 250) = ( 0.3108108 0.1891892 0.1891892), wk = 0.0030769 k( 251) = ( 0.3040541 0.1959460 0.1959460), wk = 0.0030769 k( 252) = ( 0.2972973 0.2027027 0.2027027), wk = 0.0030769 k( 253) = ( 0.2905405 0.2094595 0.2094595), wk = 0.0030769 k( 254) = ( 0.2837838 0.2162162 0.2162162), wk = 0.0030769 k( 255) = ( 0.2770270 0.2229730 0.2229730), wk = 0.0030769 k( 256) = ( 0.2702703 0.2297297 0.2297297), wk = 0.0030769 k( 257) = ( 0.2635135 0.2364865 0.2364865), wk = 0.0030769 k( 258) = ( 0.2567568 0.2432432 0.2432432), wk = 0.0030769 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030769 k( 260) = ( 0.0284751 -0.0284751 0.5045010), wk = 0.0030769 k( 261) = ( 0.0352754 -0.0352754 0.4977006), wk = 0.0030769 k( 262) = ( 0.0420758 -0.0420758 0.4909002), wk = 0.0030769 k( 263) = ( 0.0488762 -0.0488762 0.4840998), wk = 0.0030769 k( 264) = ( 0.0556765 -0.0556765 0.4772995), wk = 0.0030769 k( 265) = ( 0.0624769 -0.0624769 0.4704991), wk = 0.0030769 k( 266) = ( 0.0692773 -0.0692773 0.4636987), wk = 0.0030769 k( 267) = ( 0.0760776 -0.0760777 0.4568984), wk = 0.0030769 k( 268) = ( 0.0828780 -0.0828780 0.4500980), wk = 0.0030769 k( 269) = ( 0.0896784 -0.0896784 0.4432976), wk = 0.0030769 k( 270) = ( 0.0964788 -0.0964788 0.4364973), wk = 0.0030769 k( 271) = ( 0.1032791 -0.1032791 0.4296969), wk = 0.0030769 k( 272) = ( 0.1100795 -0.1100795 0.4228965), wk = 0.0030769 k( 273) = ( 0.1168799 -0.1168799 0.4160961), wk = 0.0030769 k( 274) = ( 0.1236802 -0.1236802 0.4092958), wk = 0.0030769 k( 275) = ( 0.1304806 -0.1304806 0.4024954), wk = 0.0030769 k( 276) = ( 0.1372810 -0.1372810 0.3956950), wk = 0.0030769 k( 277) = ( 0.1440813 -0.1440814 0.3888947), wk = 0.0030769 k( 278) = ( 0.1508817 -0.1508817 0.3820943), wk = 0.0030769 k( 279) = ( 0.1576821 -0.1576821 0.3752939), wk = 0.0030769 k( 280) = ( 0.1644825 -0.1644825 0.3684936), wk = 0.0030769 k( 281) = ( 0.1712828 -0.1712828 0.3616932), wk = 0.0030769 k( 282) = ( 0.1780832 -0.1780832 0.3548928), wk = 0.0030769 k( 283) = ( 0.1848836 -0.1848836 0.3480924), wk = 0.0030769 k( 284) = ( 0.1916839 -0.1916839 0.3412921), wk = 0.0030769 k( 285) = ( 0.1984843 -0.1984843 0.3344917), wk = 0.0030769 k( 286) = ( 0.2052847 -0.2052847 0.3276913), wk = 0.0030769 k( 287) = ( 0.2120850 -0.2120851 0.3208910), wk = 0.0030769 k( 288) = ( 0.2188854 -0.2188854 0.3140906), wk = 0.0030769 k( 289) = ( 0.2256858 -0.2256858 0.3072902), wk = 0.0030769 k( 290) = ( 0.2324862 -0.2324862 0.3004899), wk = 0.0030769 k( 291) = ( 0.2392865 -0.2392865 0.2936895), wk = 0.0030769 k( 292) = ( 0.2460869 -0.2460869 0.2868891), wk = 0.0030769 k( 293) = ( 0.2528873 -0.2528873 0.2800888), wk = 0.0030769 k( 294) = ( 0.2596876 -0.2596876 0.2732884), wk = 0.0030769 k( 295) = ( 0.2664880 -0.2664880 0.2664880), wk = 0.0030769 k( 296) = ( 0.7335120 0.2664880 -0.2664880), wk = 0.0030769 k( 297) = ( 0.7254599 0.2745401 -0.2745402), wk = 0.0030769 k( 298) = ( 0.7174077 0.2825923 -0.2825923), wk = 0.0030769 k( 299) = ( 0.7093556 0.2906444 -0.2906444), wk = 0.0030769 k( 300) = ( 0.7013034 0.2986966 -0.2986966), wk = 0.0030769 k( 301) = ( 0.6932513 0.3067487 -0.3067487), wk = 0.0030769 k( 302) = ( 0.6851992 0.3148008 -0.3148008), wk = 0.0030769 k( 303) = ( 0.6771470 0.3228530 -0.3228530), wk = 0.0030769 k( 304) = ( 0.6690949 0.3309051 -0.3309051), wk = 0.0030769 k( 305) = ( 0.6610428 0.3389572 -0.3389573), wk = 0.0030769 k( 306) = ( 0.6529906 0.3470094 -0.3470094), wk = 0.0030769 k( 307) = ( 0.6449385 0.3550615 -0.3550615), wk = 0.0030769 k( 308) = ( 0.6368863 0.3631137 -0.3631137), wk = 0.0030769 k( 309) = ( 0.6288342 0.3711658 -0.3711658), wk = 0.0030769 k( 310) = ( 0.6207821 0.3792179 -0.3792179), wk = 0.0030769 k( 311) = ( 0.6127299 0.3872701 -0.3872701), wk = 0.0030769 k( 312) = ( 0.6046778 0.3953222 -0.3953222), wk = 0.0030769 k( 313) = ( 0.5966257 0.4033743 -0.4033743), wk = 0.0030769 k( 314) = ( 0.5885735 0.4114265 -0.4114265), wk = 0.0030769 k( 315) = ( 0.5805214 0.4194786 -0.4194786), wk = 0.0030769 k( 316) = ( 0.5724692 0.4275308 -0.4275308), wk = 0.0030769 k( 317) = ( 0.5644171 0.4355829 -0.4355829), wk = 0.0030769 k( 318) = ( 0.5563650 0.4436350 -0.4436350), wk = 0.0030769 k( 319) = ( 0.5483128 0.4516872 -0.4516872), wk = 0.0030769 k( 320) = ( 0.5402607 0.4597393 -0.4597393), wk = 0.0030769 k( 321) = ( 0.5322086 0.4677914 -0.4677915), wk = 0.0030769 k( 322) = ( 0.5241564 0.4758436 -0.4758436), wk = 0.0030769 k( 323) = ( 0.5161043 0.4838957 -0.4838957), wk = 0.0030769 k( 324) = ( 0.5080521 0.4919479 -0.4919479), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030769 Dense grid: 66821 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46671 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 336, 52) NL pseudopotentials 0.52 Mb ( 168, 201) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1856) G-vector shells 0.01 Mb ( 1728) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 336, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.32 Mb ( 201, 2, 52) The potential is recalculated from file : ./Ba3xAlGex2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.8 secs Computing kpt #: 8 total cpu time spent up to now is 15.1 secs Computing kpt #: 9 total cpu time spent up to now is 16.5 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.0 secs Computing kpt #: 13 total cpu time spent up to now is 22.8 secs Computing kpt #: 14 total cpu time spent up to now is 24.6 secs Computing kpt #: 15 total cpu time spent up to now is 26.3 secs Computing kpt #: 16 total cpu time spent up to now is 27.9 secs Computing kpt #: 17 total cpu time spent up to now is 29.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.8 secs Computing kpt #: 19 total cpu time spent up to now is 32.2 secs Computing kpt #: 20 total cpu time spent up to now is 33.7 secs Computing kpt #: 21 total cpu time spent up to now is 35.3 secs Computing kpt #: 22 total cpu time spent up to now is 36.9 secs Computing kpt #: 23 total cpu time spent up to now is 38.5 secs Computing kpt #: 24 total cpu time spent up to now is 40.1 secs Computing kpt #: 25 total cpu time spent up to now is 41.6 secs Computing kpt #: 26 total cpu time spent up to now is 43.2 secs Computing kpt #: 27 total cpu time spent up to now is 44.7 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 47.7 secs Computing kpt #: 30 total cpu time spent up to now is 49.2 secs Computing kpt #: 31 total cpu time spent up to now is 50.6 secs Computing kpt #: 32 total cpu time spent up to now is 52.2 secs Computing kpt #: 33 total cpu time spent up to now is 53.8 secs Computing kpt #: 34 total cpu time spent up to now is 55.3 secs Computing kpt #: 35 total cpu time spent up to now is 56.9 secs Computing kpt #: 36 total cpu time spent up to now is 58.2 secs Computing kpt #: 37 total cpu time spent up to now is 59.6 secs Computing kpt #: 38 total cpu time spent up to now is 61.1 secs Computing kpt #: 39 total cpu time spent up to now is 62.7 secs Computing kpt #: 40 total cpu time spent up to now is 64.2 secs Computing kpt #: 41 total cpu time spent up to now is 65.8 secs Computing kpt #: 42 total cpu time spent up to now is 67.6 secs Computing kpt #: 43 total cpu time spent up to now is 69.1 secs Computing kpt #: 44 total cpu time spent up to now is 70.7 secs Computing kpt #: 45 total cpu time spent up to now is 72.2 secs Computing kpt #: 46 total cpu time spent up to now is 73.6 secs Computing kpt #: 47 total cpu time spent up to now is 74.9 secs Computing kpt #: 48 total cpu time spent up to now is 76.4 secs Computing kpt #: 49 total cpu time spent up to now is 77.8 secs Computing kpt #: 50 total cpu time spent up to now is 79.3 secs Computing kpt #: 51 total cpu time spent up to now is 80.7 secs Computing kpt #: 52 total cpu time spent up to now is 82.0 secs Computing kpt #: 53 total cpu time spent up to now is 83.6 secs Computing kpt #: 54 total cpu time spent up to now is 85.1 secs Computing kpt #: 55 total cpu time spent up to now is 86.5 secs Computing kpt #: 56 total cpu time spent up to now is 87.9 secs Computing kpt #: 57 total cpu time spent up to now is 89.2 secs Computing kpt #: 58 total cpu time spent up to now is 90.5 secs Computing kpt #: 59 total cpu time spent up to now is 91.9 secs Computing kpt #: 60 total cpu time spent up to now is 93.2 secs Computing kpt #: 61 total cpu time spent up to now is 94.6 secs Computing kpt #: 62 total cpu time spent up to now is 95.9 secs Computing kpt #: 63 total cpu time spent up to now is 97.2 secs Computing kpt #: 64 total cpu time spent up to now is 98.6 secs Computing kpt #: 65 total cpu time spent up to now is 99.9 secs Computing kpt #: 66 total cpu time spent up to now is 101.3 secs Computing kpt #: 67 total cpu time spent up to now is 102.6 secs Computing kpt #: 68 total cpu time spent up to now is 104.0 secs Computing kpt #: 69 total cpu time spent up to now is 105.3 secs Computing kpt #: 70 total cpu time spent up to now is 106.7 secs Computing kpt #: 71 total cpu time spent up to now is 108.2 secs Computing kpt #: 72 total cpu time spent up to now is 109.7 secs Computing kpt #: 73 total cpu time spent up to now is 111.4 secs Computing kpt #: 74 total cpu time spent up to now is 113.4 secs Computing kpt #: 75 total cpu time spent up to now is 115.1 secs Computing kpt #: 76 total cpu time spent up to now is 116.7 secs Computing kpt #: 77 total cpu time spent up to now is 118.2 secs Computing kpt #: 78 total cpu time spent up to now is 119.8 secs Computing kpt #: 79 total cpu time spent up to now is 121.3 secs Computing kpt #: 80 total cpu time spent up to now is 122.9 secs Computing kpt #: 81 total cpu time spent up to now is 124.5 secs Computing kpt #: 82 total cpu time spent up to now is 126.0 secs Computing kpt #: 83 total cpu time spent up to now is 127.6 secs Computing kpt #: 84 total cpu time spent up to now is 128.9 secs Computing kpt #: 85 total cpu time spent up to now is 130.5 secs Computing kpt #: 86 total cpu time spent up to now is 131.8 secs Computing kpt #: 87 total cpu time spent up to now is 133.2 secs Computing kpt #: 88 total cpu time spent up to now is 134.5 secs Computing kpt #: 89 total cpu time spent up to now is 135.9 secs Computing kpt #: 90 total cpu time spent up to now is 137.2 secs Computing kpt #: 91 total cpu time spent up to now is 138.6 secs Computing kpt #: 92 total cpu time spent up to now is 139.9 secs Computing kpt #: 93 total cpu time spent up to now is 141.3 secs Computing kpt #: 94 total cpu time spent up to now is 142.6 secs Computing kpt #: 95 total cpu time spent up to now is 144.0 secs Computing kpt #: 96 total cpu time spent up to now is 145.4 secs Computing kpt #: 97 total cpu time spent up to now is 146.8 secs Computing kpt #: 98 total cpu time spent up to now is 148.1 secs Computing kpt #: 99 total cpu time spent up to now is 149.5 secs Computing kpt #: 100 total cpu time spent up to now is 150.8 secs Computing kpt #: 101 total cpu time spent up to now is 152.2 secs Computing kpt #: 102 total cpu time spent up to now is 153.5 secs Computing kpt #: 103 total cpu time spent up to now is 154.8 secs Computing kpt #: 104 total cpu time spent up to now is 156.1 secs Computing kpt #: 105 total cpu time spent up to now is 157.5 secs Computing kpt #: 106 total cpu time spent up to now is 158.8 secs Computing kpt #: 107 total cpu time spent up to now is 160.1 secs Computing kpt #: 108 total cpu time spent up to now is 161.4 secs Computing kpt #: 109 total cpu time spent up to now is 162.7 secs Computing kpt #: 110 total cpu time spent up to now is 164.0 secs Computing kpt #: 111 total cpu time spent up to now is 165.3 secs Computing kpt #: 112 total cpu time spent up to now is 166.6 secs Computing kpt #: 113 total cpu time spent up to now is 167.9 secs Computing kpt #: 114 total cpu time spent up to now is 169.2 secs Computing kpt #: 115 total cpu time spent up to now is 170.4 secs Computing kpt #: 116 total cpu time spent up to now is 171.7 secs Computing kpt #: 117 total cpu time spent up to now is 173.0 secs Computing kpt #: 118 total cpu time spent up to now is 174.3 secs Computing kpt #: 119 total cpu time spent up to now is 175.6 secs Computing kpt #: 120 total cpu time spent up to now is 176.9 secs Computing kpt #: 121 total cpu time spent up to now is 178.7 secs Computing kpt #: 122 total cpu time spent up to now is 180.0 secs Computing kpt #: 123 total cpu time spent up to now is 181.4 secs Computing kpt #: 124 total cpu time spent up to now is 182.9 secs Computing kpt #: 125 total cpu time spent up to now is 184.5 secs Computing kpt #: 126 total cpu time spent up to now is 186.1 secs Computing kpt #: 127 total cpu time spent up to now is 187.6 secs Computing kpt #: 128 total cpu time spent up to now is 189.2 secs Computing kpt #: 129 total cpu time spent up to now is 190.7 secs Computing kpt #: 130 total cpu time spent up to now is 192.3 secs Computing kpt #: 131 total cpu time spent up to now is 193.9 secs Computing kpt #: 132 total cpu time spent up to now is 195.5 secs Computing kpt #: 133 total cpu time spent up to now is 197.1 secs Computing kpt #: 134 total cpu time spent up to now is 198.6 secs Computing kpt #: 135 total cpu time spent up to now is 200.2 secs Computing kpt #: 136 total cpu time spent up to now is 201.8 secs Computing kpt #: 137 total cpu time spent up to now is 203.3 secs Computing kpt #: 138 total cpu time spent up to now is 204.9 secs Computing kpt #: 139 total cpu time spent up to now is 206.5 secs Computing kpt #: 140 total cpu time spent up to now is 208.1 secs Computing kpt #: 141 total cpu time spent up to now is 209.7 secs Computing kpt #: 142 total cpu time spent up to now is 211.0 secs Computing kpt #: 143 total cpu time spent up to now is 212.4 secs Computing kpt #: 144 total cpu time spent up to now is 213.7 secs Computing kpt #: 145 total cpu time spent up to now is 215.3 secs Computing kpt #: 146 total cpu time spent up to now is 217.0 secs Computing kpt #: 147 total cpu time spent up to now is 219.0 secs Computing kpt #: 148 total cpu time spent up to now is 220.8 secs Computing kpt #: 149 total cpu time spent up to now is 222.5 secs Computing kpt #: 150 total cpu time spent up to now is 224.2 secs Computing kpt #: 151 total cpu time spent up to now is 225.9 secs Computing kpt #: 152 total cpu time spent up to now is 227.4 secs Computing kpt #: 153 total cpu time spent up to now is 229.0 secs Computing kpt #: 154 total cpu time spent up to now is 230.3 secs Computing kpt #: 155 total cpu time spent up to now is 231.6 secs Computing kpt #: 156 total cpu time spent up to now is 232.9 secs Computing kpt #: 157 total cpu time spent up to now is 234.2 secs Computing kpt #: 158 total cpu time spent up to now is 235.5 secs Computing kpt #: 159 total cpu time spent up to now is 236.8 secs Computing kpt #: 160 total cpu time spent up to now is 238.1 secs Computing kpt #: 161 total cpu time spent up to now is 239.4 secs Computing kpt #: 162 total cpu time spent up to now is 240.7 secs Computing kpt #: 163 total cpu time spent up to now is 242.0 secs Computing kpt #: 164 total cpu time spent up to now is 243.3 secs Computing kpt #: 165 total cpu time spent up to now is 244.6 secs Computing kpt #: 166 total cpu time spent up to now is 245.9 secs Computing kpt #: 167 total cpu time spent up to now is 247.2 secs Computing kpt #: 168 total cpu time spent up to now is 248.5 secs Computing kpt #: 169 total cpu time spent up to now is 249.9 secs Computing kpt #: 170 total cpu time spent up to now is 251.2 secs Computing kpt #: 171 total cpu time spent up to now is 252.5 secs Computing kpt #: 172 total cpu time spent up to now is 254.1 secs Computing kpt #: 173 total cpu time spent up to now is 255.7 secs Computing kpt #: 174 total cpu time spent up to now is 257.2 secs Computing kpt #: 175 total cpu time spent up to now is 258.8 secs Computing kpt #: 176 total cpu time spent up to now is 260.4 secs Computing kpt #: 177 total cpu time spent up to now is 261.9 secs Computing kpt #: 178 total cpu time spent up to now is 263.5 secs Computing kpt #: 179 total cpu time spent up to now is 265.1 secs Computing kpt #: 180 total cpu time spent up to now is 266.8 secs Computing kpt #: 181 total cpu time spent up to now is 268.2 secs Computing kpt #: 182 total cpu time spent up to now is 269.5 secs Computing kpt #: 183 total cpu time spent up to now is 270.8 secs Computing kpt #: 184 total cpu time spent up to now is 272.1 secs Computing kpt #: 185 total cpu time spent up to now is 273.4 secs Computing kpt #: 186 total cpu time spent up to now is 274.7 secs Computing kpt #: 187 total cpu time spent up to now is 276.0 secs Computing kpt #: 188 total cpu time spent up to now is 277.3 secs Computing kpt #: 189 total cpu time spent up to now is 278.6 secs Computing kpt #: 190 total cpu time spent up to now is 279.9 secs Computing kpt #: 191 total cpu time spent up to now is 281.2 secs Computing kpt #: 192 total cpu time spent up to now is 282.5 secs Computing kpt #: 193 total cpu time spent up to now is 283.8 secs Computing kpt #: 194 total cpu time spent up to now is 285.2 secs Computing kpt #: 195 total cpu time spent up to now is 286.7 secs Computing kpt #: 196 total cpu time spent up to now is 288.4 secs Computing kpt #: 197 total cpu time spent up to now is 290.1 secs Computing kpt #: 198 total cpu time spent up to now is 291.8 secs Computing kpt #: 199 total cpu time spent up to now is 293.3 secs Computing kpt #: 200 total cpu time spent up to now is 294.9 secs Computing kpt #: 201 total cpu time spent up to now is 296.3 secs Computing kpt #: 202 total cpu time spent up to now is 297.6 secs Computing kpt #: 203 total cpu time spent up to now is 298.9 secs Computing kpt #: 204 total cpu time spent up to now is 300.2 secs Computing kpt #: 205 total cpu time spent up to now is 301.6 secs Computing kpt #: 206 total cpu time spent up to now is 302.9 secs Computing kpt #: 207 total cpu time spent up to now is 304.2 secs Computing kpt #: 208 total cpu time spent up to now is 305.8 secs Computing kpt #: 209 total cpu time spent up to now is 307.5 secs Computing kpt #: 210 total cpu time spent up to now is 309.1 secs Computing kpt #: 211 total cpu time spent up to now is 310.8 secs Computing kpt #: 212 total cpu time spent up to now is 312.4 secs Computing kpt #: 213 total cpu time spent up to now is 314.0 secs Computing kpt #: 214 total cpu time spent up to now is 315.7 secs Computing kpt #: 215 total cpu time spent up to now is 317.3 secs Computing kpt #: 216 total cpu time spent up to now is 318.9 secs Computing kpt #: 217 total cpu time spent up to now is 320.5 secs Computing kpt #: 218 total cpu time spent up to now is 322.1 secs Computing kpt #: 219 total cpu time spent up to now is 323.7 secs Computing kpt #: 220 total cpu time spent up to now is 325.3 secs Computing kpt #: 221 total cpu time spent up to now is 326.9 secs Computing kpt #: 222 total cpu time spent up to now is 328.5 secs Computing kpt #: 223 total cpu time spent up to now is 330.1 secs Computing kpt #: 224 total cpu time spent up to now is 331.8 secs Computing kpt #: 225 total cpu time spent up to now is 333.4 secs Computing kpt #: 226 total cpu time spent up to now is 335.1 secs Computing kpt #: 227 total cpu time spent up to now is 336.7 secs Computing kpt #: 228 total cpu time spent up to now is 338.3 secs Computing kpt #: 229 total cpu time spent up to now is 339.8 secs Computing kpt #: 230 total cpu time spent up to now is 341.5 secs Computing kpt #: 231 total cpu time spent up to now is 343.1 secs Computing kpt #: 232 total cpu time spent up to now is 344.6 secs Computing kpt #: 233 total cpu time spent up to now is 346.3 secs Computing kpt #: 234 total cpu time spent up to now is 348.0 secs Computing kpt #: 235 total cpu time spent up to now is 349.6 secs Computing kpt #: 236 total cpu time spent up to now is 351.2 secs Computing kpt #: 237 total cpu time spent up to now is 352.5 secs Computing kpt #: 238 total cpu time spent up to now is 353.8 secs Computing kpt #: 239 total cpu time spent up to now is 355.1 secs Computing kpt #: 240 total cpu time spent up to now is 356.4 secs Computing kpt #: 241 total cpu time spent up to now is 357.7 secs Computing kpt #: 242 total cpu time spent up to now is 359.0 secs Computing kpt #: 243 total cpu time spent up to now is 360.3 secs Computing kpt #: 244 total cpu time spent up to now is 361.6 secs Computing kpt #: 245 total cpu time spent up to now is 362.9 secs Computing kpt #: 246 total cpu time spent up to now is 364.1 secs Computing kpt #: 247 total cpu time spent up to now is 365.4 secs Computing kpt #: 248 total cpu time spent up to now is 366.7 secs Computing kpt #: 249 total cpu time spent up to now is 368.0 secs Computing kpt #: 250 total cpu time spent up to now is 369.9 secs Computing kpt #: 251 total cpu time spent up to now is 371.2 secs Computing kpt #: 252 total cpu time spent up to now is 372.5 secs Computing kpt #: 253 total cpu time spent up to now is 373.8 secs Computing kpt #: 254 total cpu time spent up to now is 375.1 secs Computing kpt #: 255 total cpu time spent up to now is 376.4 secs Computing kpt #: 256 total cpu time spent up to now is 377.7 secs Computing kpt #: 257 total cpu time spent up to now is 379.0 secs Computing kpt #: 258 total cpu time spent up to now is 380.6 secs Computing kpt #: 259 total cpu time spent up to now is 382.1 secs Computing kpt #: 260 total cpu time spent up to now is 383.5 secs Computing kpt #: 261 total cpu time spent up to now is 384.8 secs Computing kpt #: 262 total cpu time spent up to now is 386.2 secs Computing kpt #: 263 total cpu time spent up to now is 387.7 secs Computing kpt #: 264 total cpu time spent up to now is 389.3 secs Computing kpt #: 265 total cpu time spent up to now is 390.9 secs Computing kpt #: 266 total cpu time spent up to now is 392.5 secs Computing kpt #: 267 total cpu time spent up to now is 393.8 secs Computing kpt #: 268 total cpu time spent up to now is 395.2 secs Computing kpt #: 269 total cpu time spent up to now is 396.5 secs Computing kpt #: 270 total cpu time spent up to now is 397.9 secs Computing kpt #: 271 total cpu time spent up to now is 399.2 secs Computing kpt #: 272 total cpu time spent up to now is 400.6 secs Computing kpt #: 273 total cpu time spent up to now is 401.9 secs Computing kpt #: 274 total cpu time spent up to now is 403.2 secs Computing kpt #: 275 total cpu time spent up to now is 404.6 secs Computing kpt #: 276 total cpu time spent up to now is 405.9 secs Computing kpt #: 277 total cpu time spent up to now is 407.3 secs Computing kpt #: 278 total cpu time spent up to now is 408.6 secs Computing kpt #: 279 total cpu time spent up to now is 410.0 secs Computing kpt #: 280 total cpu time spent up to now is 411.9 secs Computing kpt #: 281 total cpu time spent up to now is 413.7 secs Computing kpt #: 282 total cpu time spent up to now is 415.4 secs Computing kpt #: 283 total cpu time spent up to now is 417.0 secs Computing kpt #: 284 total cpu time spent up to now is 418.7 secs Computing kpt #: 285 total cpu time spent up to now is 420.3 secs Computing kpt #: 286 total cpu time spent up to now is 421.9 secs Computing kpt #: 287 total cpu time spent up to now is 423.6 secs Computing kpt #: 288 total cpu time spent up to now is 425.3 secs Computing kpt #: 289 total cpu time spent up to now is 426.9 secs Computing kpt #: 290 total cpu time spent up to now is 428.5 secs Computing kpt #: 291 total cpu time spent up to now is 430.0 secs Computing kpt #: 292 total cpu time spent up to now is 431.6 secs Computing kpt #: 293 total cpu time spent up to now is 433.2 secs Computing kpt #: 294 total cpu time spent up to now is 435.1 secs Computing kpt #: 295 total cpu time spent up to now is 436.7 secs Computing kpt #: 296 total cpu time spent up to now is 438.3 secs Computing kpt #: 297 total cpu time spent up to now is 439.9 secs Computing kpt #: 298 total cpu time spent up to now is 441.5 secs Computing kpt #: 299 total cpu time spent up to now is 443.2 secs Computing kpt #: 300 total cpu time spent up to now is 444.8 secs Computing kpt #: 301 total cpu time spent up to now is 446.4 secs Computing kpt #: 302 total cpu time spent up to now is 448.0 secs Computing kpt #: 303 total cpu time spent up to now is 449.6 secs Computing kpt #: 304 total cpu time spent up to now is 451.2 secs Computing kpt #: 305 total cpu time spent up to now is 452.8 secs Computing kpt #: 306 total cpu time spent up to now is 454.4 secs Computing kpt #: 307 total cpu time spent up to now is 456.0 secs Computing kpt #: 308 total cpu time spent up to now is 457.5 secs Computing kpt #: 309 total cpu time spent up to now is 459.1 secs Computing kpt #: 310 total cpu time spent up to now is 460.6 secs Computing kpt #: 311 total cpu time spent up to now is 462.2 secs Computing kpt #: 312 total cpu time spent up to now is 463.5 secs Computing kpt #: 313 total cpu time spent up to now is 464.8 secs Computing kpt #: 314 total cpu time spent up to now is 466.2 secs Computing kpt #: 315 total cpu time spent up to now is 467.5 secs Computing kpt #: 316 total cpu time spent up to now is 468.8 secs Computing kpt #: 317 total cpu time spent up to now is 470.1 secs Computing kpt #: 318 total cpu time spent up to now is 471.4 secs Computing kpt #: 319 total cpu time spent up to now is 472.7 secs Computing kpt #: 320 total cpu time spent up to now is 474.0 secs Computing kpt #: 321 total cpu time spent up to now is 475.3 secs Computing kpt #: 322 total cpu time spent up to now is 476.6 secs Computing kpt #: 323 total cpu time spent up to now is 477.9 secs Computing kpt #: 324 total cpu time spent up to now is 479.2 secs Computing kpt #: 325 total cpu time spent up to now is 480.5 secs ethr = 2.27E-08, avg # of iterations = 21.6 total cpu time spent up to now is 480.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5837 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4389 -7.4389 -7.2848 -7.2848 -6.8537 -6.8537 -5.5519 -5.5519 -5.3633 -5.3633 -5.3625 -5.3625 -5.1729 -5.1729 -4.8766 -4.8766 -4.7407 -4.7407 -1.3901 -1.3901 -0.8381 -0.8381 2.6080 2.6080 4.8394 4.8394 6.1257 6.1257 6.2695 6.2695 6.2723 6.2723 6.3391 6.3391 6.5226 6.5226 7.2137 7.2137 7.7926 7.7926 8.0286 8.0286 9.1216 9.1216 9.1391 9.1391 k =-0.0069 0.0204 0.0253 ( 5843 PWs) bands (ev): -20.7256 -20.7256 -20.6664 -20.6664 -20.1906 -20.1906 -7.4390 -7.4390 -7.2850 -7.2850 -6.8538 -6.8538 -5.5517 -5.5517 -5.3697 -5.3697 -5.3565 -5.3565 -5.1734 -5.1734 -4.8767 -4.8767 -4.7414 -4.7414 -1.3885 -1.3885 -0.8370 -0.8370 2.6090 2.6090 4.8380 4.8380 6.1261 6.1261 6.1948 6.1948 6.2973 6.2973 6.3784 6.3784 6.5065 6.5065 7.2268 7.2268 7.8023 7.8023 8.0314 8.0314 9.1147 9.1147 9.1496 9.1496 k =-0.0138 0.0409 0.0506 ( 5847 PWs) bands (ev): -20.7254 -20.7254 -20.6664 -20.6664 -20.1905 -20.1905 -7.4391 -7.4391 -7.2855 -7.2855 -6.8542 -6.8542 -5.5513 -5.5513 -5.3770 -5.3770 -5.3505 -5.3505 -5.1749 -5.1749 -4.8767 -4.8767 -4.7432 -4.7432 -1.3839 -1.3839 -0.8336 -0.8336 2.6121 2.6121 4.8338 4.8338 6.0996 6.0996 6.1286 6.1286 6.2984 6.2984 6.4396 6.4396 6.4634 6.4634 7.2627 7.2627 7.8298 7.8298 8.0402 8.0402 9.0961 9.0961 9.1786 9.1786 k =-0.0207 0.0613 0.0759 ( 5849 PWs) bands (ev): -20.7250 -20.7250 -20.6663 -20.6663 -20.1903 -20.1903 -7.4394 -7.4394 -7.2864 -7.2864 -6.8549 -6.8549 -5.5505 -5.5505 -5.3846 -5.3846 -5.3450 -5.3450 -5.1773 -5.1773 -4.8767 -4.8767 -4.7463 -4.7463 -1.3762 -1.3762 -0.8280 -0.8280 2.6172 2.6172 4.8264 4.8264 5.9963 5.9963 6.1304 6.1304 6.2948 6.2948 6.3991 6.3991 6.4989 6.4989 7.3137 7.3137 7.8713 7.8713 8.0568 8.0568 9.0666 9.0666 9.2230 9.2230 k =-0.0276 0.0817 0.1011 ( 5862 PWs) bands (ev): -20.7246 -20.7246 -20.6663 -20.6663 -20.1900 -20.1900 -7.4398 -7.4398 -7.2877 -7.2877 -6.8559 -6.8559 -5.5495 -5.5495 -5.3926 -5.3926 -5.3399 -5.3399 -5.1807 -5.1807 -4.8767 -4.8767 -4.7506 -4.7506 -1.3654 -1.3654 -0.8202 -0.8202 2.6242 2.6242 4.8152 4.8152 5.8857 5.8857 6.1321 6.1321 6.2824 6.2824 6.3338 6.3338 6.5496 6.5496 7.3731 7.3731 7.9194 7.9194 8.0856 8.0856 9.0271 9.0271 9.2398 9.2398 k =-0.0345 0.1021 0.1264 ( 5878 PWs) bands (ev): -20.7240 -20.7240 -20.6662 -20.6662 -20.1896 -20.1896 -7.4402 -7.4402 -7.2894 -7.2894 -6.8571 -6.8571 -5.5483 -5.5483 -5.4011 -5.4011 -5.3352 -5.3352 -5.1849 -5.1849 -4.8768 -4.8768 -4.7560 -4.7560 -1.3517 -1.3517 -0.8102 -0.8102 2.6329 2.6329 4.7992 4.7992 5.7702 5.7702 6.1289 6.1289 6.2356 6.2356 6.3028 6.3028 6.5947 6.5947 7.4366 7.4366 7.9645 7.9645 8.1326 8.1326 8.9791 8.9791 9.1379 9.1379 k =-0.0414 0.1226 0.1517 ( 5882 PWs) bands (ev): -20.7232 -20.7232 -20.6660 -20.6660 -20.1892 -20.1892 -7.4408 -7.4408 -7.2914 -7.2914 -6.8586 -6.8586 -5.5467 -5.5467 -5.4098 -5.4098 -5.3309 -5.3309 -5.1900 -5.1900 -4.8768 -4.8768 -4.7625 -4.7625 -1.3350 -1.3350 -0.7980 -0.7980 2.6430 2.6430 4.7774 4.7774 5.6515 5.6515 6.1014 6.1014 6.1912 6.1912 6.2937 6.2937 6.6353 6.6353 7.5015 7.5015 8.0008 8.0008 8.2003 8.2003 8.9239 8.9239 9.0208 9.0208 k =-0.0483 0.1430 0.1770 ( 5880 PWs) bands (ev): -20.7224 -20.7224 -20.6659 -20.6659 -20.1887 -20.1887 -7.4414 -7.4414 -7.2938 -7.2938 -6.8604 -6.8604 -5.5450 -5.5450 -5.4189 -5.4189 -5.3270 -5.3270 -5.1958 -5.1958 -4.8768 -4.8768 -4.7700 -4.7700 -1.3154 -1.3154 -0.7837 -0.7837 2.6543 2.6543 4.7484 4.7484 5.5313 5.5313 6.0398 6.0398 6.1825 6.1825 6.2870 6.2870 6.6723 6.6723 7.5664 7.5664 8.0300 8.0300 8.2841 8.2841 8.8628 8.8628 8.9029 8.9029 k =-0.0552 0.1634 0.2023 ( 5876 PWs) bands (ev): -20.7214 -20.7214 -20.6657 -20.6657 -20.1882 -20.1882 -7.4422 -7.4422 -7.2965 -7.2965 -6.8624 -6.8624 -5.5431 -5.5431 -5.4282 -5.4282 -5.3236 -5.3236 -5.2022 -5.2022 -4.8767 -4.8767 -4.7784 -4.7784 -1.2930 -1.2930 -0.7673 -0.7673 2.6664 2.6664 4.7109 4.7109 5.4110 5.4110 5.9715 5.9715 6.1875 6.1875 6.2805 6.2805 6.7064 6.7064 7.6305 7.6305 8.0556 8.0556 8.3776 8.3776 8.7816 8.7816 8.8024 8.8024 k =-0.0620 0.1839 0.2276 ( 5882 PWs) bands (ev): -20.7203 -20.7203 -20.6656 -20.6656 -20.1876 -20.1876 -7.4430 -7.4430 -7.2996 -7.2996 -6.8647 -6.8647 -5.5410 -5.5410 -5.4378 -5.4378 -5.3207 -5.3207 -5.2092 -5.2092 -4.8766 -4.8766 -4.7876 -4.7876 -1.2679 -1.2679 -0.7489 -0.7489 2.6788 2.6788 4.6638 4.6638 5.2920 5.2920 5.9090 5.9090 6.1967 6.1967 6.2738 6.2738 6.7379 6.7379 7.6932 7.6932 8.0797 8.0797 8.4751 8.4751 8.6691 8.6691 8.7336 8.7336 k =-0.0689 0.2043 0.2529 ( 5878 PWs) bands (ev): -20.7192 -20.7192 -20.6654 -20.6654 -20.1869 -20.1869 -7.4439 -7.4439 -7.3029 -7.3029 -6.8672 -6.8672 -5.5388 -5.5388 -5.4475 -5.4475 -5.3182 -5.3182 -5.2166 -5.2166 -4.8765 -4.8765 -4.7975 -4.7975 -1.2402 -1.2402 -0.7284 -0.7284 2.6910 2.6910 4.6064 4.6064 5.1754 5.1754 5.8561 5.8561 6.2080 6.2080 6.2668 6.2668 6.7668 6.7668 7.7535 7.7535 8.1030 8.1030 8.5332 8.5332 8.5989 8.5989 8.6656 8.6656 k =-0.0758 0.2247 0.2781 ( 5880 PWs) bands (ev): -20.7179 -20.7179 -20.6652 -20.6652 -20.1862 -20.1862 -7.4448 -7.4448 -7.3066 -7.3066 -6.8699 -6.8699 -5.5365 -5.5365 -5.4574 -5.4574 -5.3163 -5.3163 -5.2242 -5.2242 -4.8765 -4.8765 -4.8080 -4.8080 -1.2099 -1.2099 -0.7061 -0.7061 2.7023 2.7023 4.5385 4.5385 5.0627 5.0627 5.8145 5.8145 6.2205 6.2205 6.2596 6.2596 6.7928 6.7928 7.8104 7.8104 8.1250 8.1250 8.4350 8.4350 8.5953 8.5953 8.6901 8.6901 k =-0.0827 0.2451 0.3034 ( 5872 PWs) bands (ev): -20.7165 -20.7165 -20.6651 -20.6651 -20.1854 -20.1854 -7.4458 -7.4458 -7.3106 -7.3106 -6.8728 -6.8728 -5.5342 -5.5342 -5.4672 -5.4672 -5.3151 -5.3151 -5.2318 -5.2318 -4.8764 -4.8764 -4.8188 -4.8188 -1.1772 -1.1772 -0.6819 -0.6819 2.7120 2.7120 4.4609 4.4609 4.9550 4.9550 5.7845 5.7845 6.2338 6.2338 6.2522 6.2522 6.8154 6.8154 7.8624 7.8624 8.1447 8.1447 8.3271 8.3271 8.5278 8.5278 8.7878 8.7878 k =-0.0896 0.2656 0.3287 ( 5878 PWs) bands (ev): -20.7150 -20.7150 -20.6649 -20.6649 -20.1846 -20.1846 -7.4469 -7.4469 -7.3149 -7.3149 -6.8759 -6.8759 -5.5320 -5.5320 -5.4771 -5.4771 -5.3145 -5.3145 -5.2392 -5.2392 -4.8765 -4.8765 -4.8298 -4.8298 -1.1422 -1.1422 -0.6559 -0.6559 2.7192 2.7192 4.3748 4.3748 4.8535 4.8535 5.7654 5.7654 6.2441 6.2441 6.2482 6.2482 6.8336 6.8336 7.9077 7.9077 8.1603 8.1603 8.2211 8.2211 8.4616 8.4616 8.8687 8.8687 k =-0.0965 0.2860 0.3540 ( 5886 PWs) bands (ev): -20.7134 -20.7134 -20.6648 -20.6648 -20.1838 -20.1838 -7.4480 -7.4480 -7.3195 -7.3195 -6.8792 -6.8792 -5.5298 -5.5298 -5.4869 -5.4869 -5.3149 -5.3149 -5.2461 -5.2461 -4.8771 -4.8771 -4.8406 -4.8406 -1.1050 -1.1050 -0.6282 -0.6282 2.7229 2.7229 4.2816 4.2816 4.7597 4.7597 5.7564 5.7564 6.2371 6.2371 6.2619 6.2619 6.8467 6.8467 7.9439 7.9439 8.1180 8.1180 8.1697 8.1697 8.3977 8.3977 8.8922 8.8922 k =-0.1034 0.3064 0.3793 ( 5870 PWs) bands (ev): -20.7118 -20.7118 -20.6646 -20.6646 -20.1829 -20.1829 -7.4491 -7.4491 -7.3243 -7.3243 -6.8826 -6.8826 -5.5280 -5.5280 -5.4964 -5.4964 -5.3162 -5.3162 -5.2523 -5.2523 -4.8787 -4.8787 -4.8505 -4.8505 -1.0657 -1.0657 -0.5990 -0.5990 2.7221 2.7221 4.1830 4.1830 4.6747 4.6747 5.7563 5.7563 6.2300 6.2300 6.2758 6.2758 6.8533 6.8533 7.9685 7.9685 8.0184 8.0184 8.1702 8.1702 8.3371 8.3371 8.8727 8.8727 k =-0.1103 0.3269 0.4046 ( 5860 PWs) bands (ev): -20.7101 -20.7101 -20.6645 -20.6645 -20.1820 -20.1820 -7.4502 -7.4502 -7.3294 -7.3294 -6.8862 -6.8862 -5.5265 -5.5265 -5.5056 -5.5056 -5.3185 -5.3185 -5.2575 -5.2575 -4.8826 -4.8826 -4.8581 -4.8581 -1.0246 -1.0246 -0.5683 -0.5683 2.7157 2.7157 4.0806 4.0806 4.5999 4.5999 5.7637 5.7637 6.2231 6.2231 6.2893 6.2893 6.8525 6.8525 7.9194 7.9194 7.9828 7.9828 8.1606 8.1606 8.2802 8.2802 8.8565 8.8565 k =-0.1172 0.3473 0.4299 ( 5848 PWs) bands (ev): -20.7083 -20.7083 -20.6644 -20.6644 -20.1811 -20.1811 -7.4513 -7.4513 -7.3346 -7.3346 -6.8899 -6.8899 -5.5260 -5.5260 -5.5139 -5.5139 -5.3219 -5.3219 -5.2616 -5.2616 -4.8899 -4.8899 -4.8623 -4.8623 -0.9817 -0.9817 -0.5362 -0.5362 2.7029 2.7029 3.9757 3.9757 4.5365 4.5365 5.7777 5.7777 6.2168 6.2168 6.3020 6.3020 6.8430 6.8430 7.8261 7.8261 7.9812 7.9812 8.1413 8.1413 8.2278 8.2278 8.8566 8.8566 k =-0.1241 0.3677 0.4552 ( 5848 PWs) bands (ev): -20.7065 -20.7065 -20.6644 -20.6644 -20.1802 -20.1802 -7.4524 -7.4524 -7.3401 -7.3401 -6.8936 -6.8936 -5.5285 -5.5285 -5.5194 -5.5194 -5.3260 -5.3260 -5.2648 -5.2648 -4.8996 -4.8996 -4.8638 -4.8638 -0.9372 -0.9372 -0.5030 -0.5030 2.6828 2.6828 3.8696 3.8696 4.4855 4.4855 5.7972 5.7972 6.2111 6.2111 6.3135 6.3135 6.8238 6.8238 7.7357 7.7357 7.9666 7.9666 8.1152 8.1152 8.1802 8.1802 8.8742 8.8742 k =-0.1310 0.3881 0.4804 ( 5846 PWs) bands (ev): -20.7047 -20.7047 -20.6644 -20.6644 -20.1793 -20.1793 -7.4535 -7.4535 -7.3457 -7.3457 -6.8974 -6.8974 -5.5351 -5.5351 -5.5209 -5.5209 -5.3307 -5.3307 -5.2671 -5.2671 -4.9105 -4.9105 -4.8640 -4.8640 -0.8913 -0.8913 -0.4687 -0.4687 2.6550 2.6550 3.7633 3.7633 4.4474 4.4474 5.8216 5.8216 6.2062 6.2062 6.3236 6.3236 6.7943 6.7943 7.6486 7.6486 7.9403 7.9403 8.0859 8.0859 8.1379 8.1379 8.9072 8.9072 k =-0.1379 0.4086 0.5057 ( 5844 PWs) bands (ev): -20.7028 -20.7028 -20.6644 -20.6644 -20.1784 -20.1784 -7.4544 -7.4544 -7.3514 -7.3514 -6.9012 -6.9012 -5.5426 -5.5426 -5.5216 -5.5216 -5.3354 -5.3354 -5.2688 -5.2688 -4.9216 -4.9216 -4.8636 -4.8636 -0.8442 -0.8442 -0.4336 -0.4336 2.6196 2.6196 3.6578 3.6578 4.4224 4.4224 5.8500 5.8500 6.2024 6.2024 6.3320 6.3320 6.7542 6.7542 7.5649 7.5649 7.9041 7.9041 8.0568 8.0568 8.1016 8.1016 8.9525 8.9525 k =-0.1448 0.4290 0.5310 ( 5844 PWs) bands (ev): -20.7009 -20.7009 -20.6645 -20.6645 -20.1775 -20.1775 -7.4553 -7.4553 -7.3573 -7.3573 -6.9050 -6.9050 -5.5500 -5.5500 -5.5226 -5.5226 -5.3399 -5.3399 -5.2702 -5.2702 -4.9326 -4.9326 -4.8628 -4.8628 -0.7961 -0.7961 -0.3979 -0.3979 2.5769 2.5769 3.5538 3.5538 4.4104 4.4104 5.8818 5.8818 6.1997 6.1997 6.3382 6.3382 6.7040 6.7040 7.4847 7.4847 7.8597 7.8597 8.0305 8.0305 8.0717 8.0717 9.0074 9.0074 k =-0.1517 0.4494 0.5563 ( 5844 PWs) bands (ev): -20.6989 -20.6989 -20.6646 -20.6646 -20.1766 -20.1766 -7.4560 -7.4560 -7.3631 -7.3631 -6.9088 -6.9088 -5.5570 -5.5570 -5.5242 -5.5242 -5.3439 -5.3439 -5.2714 -5.2714 -4.9433 -4.9433 -4.8618 -4.8618 -0.7473 -0.7473 -0.3617 -0.3617 2.5279 2.5279 3.4521 3.4521 4.4107 4.4107 5.9166 5.9166 6.1984 6.1984 6.3420 6.3420 6.6443 6.6443 7.4080 7.4080 7.8089 7.8089 8.0084 8.0084 8.0488 8.0488 9.0697 9.0697 k =-0.1586 0.4699 0.5816 ( 5850 PWs) bands (ev): -20.6970 -20.6970 -20.6648 -20.6648 -20.1758 -20.1758 -7.4566 -7.4566 -7.3691 -7.3691 -6.9125 -6.9125 -5.5634 -5.5634 -5.5265 -5.5265 -5.3473 -5.3473 -5.2725 -5.2725 -4.9536 -4.9536 -4.8607 -4.8607 -0.6981 -0.6981 -0.3255 -0.3255 2.4735 2.4735 3.3533 3.3533 4.4225 4.4225 5.9538 5.9538 6.1986 6.1986 6.3433 6.3433 6.5764 6.5764 7.3348 7.3348 7.7533 7.7533 7.9911 7.9911 8.0332 8.0332 9.1372 9.1372 k =-0.1655 0.4903 0.6069 ( 5838 PWs) bands (ev): -20.6951 -20.6951 -20.6651 -20.6651 -20.1749 -20.1749 -7.4570 -7.4570 -7.3750 -7.3750 -6.9161 -6.9161 -5.5693 -5.5693 -5.5295 -5.5295 -5.3499 -5.3499 -5.2736 -5.2736 -4.9633 -4.9633 -4.8596 -4.8596 -0.6488 -0.6488 -0.2894 -0.2894 2.4151 2.4151 3.2580 3.2580 4.4447 4.4447 5.9928 5.9928 6.2008 6.2008 6.3418 6.3418 6.5019 6.5019 7.2650 7.2650 7.6943 7.6943 7.9784 7.9784 8.0250 8.0250 9.2085 9.2085 k =-0.1724 0.5107 0.6322 ( 5846 PWs) bands (ev): -20.6932 -20.6932 -20.6654 -20.6654 -20.1742 -20.1742 -7.4572 -7.4572 -7.3809 -7.3809 -6.9196 -6.9196 -5.5745 -5.5745 -5.5331 -5.5331 -5.3517 -5.3517 -5.2749 -5.2749 -4.9725 -4.9725 -4.8584 -4.8584 -0.5997 -0.5997 -0.2538 -0.2538 2.3542 2.3542 3.1668 3.1668 4.4762 4.4762 6.0328 6.0328 6.2050 6.2050 6.3371 6.3371 6.4228 6.4228 7.1988 7.1988 7.6331 7.6331 7.9699 7.9699 8.0243 8.0243 9.2790 9.2790 k =-0.1793 0.5311 0.6574 ( 5848 PWs) bands (ev): -20.6913 -20.6913 -20.6658 -20.6658 -20.1734 -20.1734 -7.4572 -7.4572 -7.3867 -7.3867 -6.9229 -6.9229 -5.5791 -5.5791 -5.5372 -5.5372 -5.3528 -5.3528 -5.2765 -5.2765 -4.9809 -4.9809 -4.8571 -4.8571 -0.5513 -0.5513 -0.2191 -0.2191 2.2921 2.2921 3.0804 3.0804 4.5159 4.5159 6.0724 6.0724 6.2114 6.2114 6.3223 6.3223 6.3484 6.3484 7.1361 7.1361 7.5708 7.5708 7.9650 7.9650 8.0309 8.0309 9.2515 9.2515 k =-0.1861 0.5516 0.6827 ( 5856 PWs) bands (ev): -20.6894 -20.6894 -20.6663 -20.6663 -20.1727 -20.1727 -7.4570 -7.4570 -7.3924 -7.3924 -6.9261 -6.9261 -5.5829 -5.5829 -5.5417 -5.5417 -5.3531 -5.3531 -5.2783 -5.2783 -4.9885 -4.9885 -4.8559 -4.8559 -0.5040 -0.5040 -0.1857 -0.1857 2.2302 2.2302 2.9993 2.9993 4.5629 4.5629 6.1082 6.1082 6.2163 6.2163 6.2577 6.2577 6.3268 6.3268 7.0769 7.0769 7.5083 7.5083 7.9632 7.9632 8.0444 8.0444 9.2195 9.2195 k =-0.1930 0.5720 0.7080 ( 5856 PWs) bands (ev): -20.6876 -20.6876 -20.6668 -20.6668 -20.1721 -20.1721 -7.4565 -7.4565 -7.3980 -7.3980 -6.9290 -6.9290 -5.5861 -5.5861 -5.5466 -5.5466 -5.3528 -5.3528 -5.2804 -5.2804 -4.9952 -4.9952 -4.8547 -4.8547 -0.4583 -0.4583 -0.1540 -0.1540 2.1698 2.1698 2.9242 2.9242 4.6162 4.6162 6.1162 6.1162 6.1842 6.1842 6.2464 6.2464 6.3153 6.3153 7.0211 7.0211 7.4465 7.4465 7.9641 7.9641 8.0645 8.0645 9.1907 9.1907 k =-0.1999 0.5924 0.7333 ( 5856 PWs) bands (ev): -20.6858 -20.6858 -20.6675 -20.6675 -20.1715 -20.1715 -7.4557 -7.4557 -7.4034 -7.4034 -6.9316 -6.9316 -5.5885 -5.5885 -5.5515 -5.5515 -5.3518 -5.3518 -5.2829 -5.2829 -5.0011 -5.0011 -4.8536 -4.8536 -0.4149 -0.4149 -0.1247 -0.1247 2.1121 2.1121 2.8556 2.8556 4.6751 4.6751 6.0475 6.0475 6.1948 6.1948 6.2691 6.2691 6.3028 6.3028 6.9688 6.9688 7.3865 7.3865 7.9672 7.9672 8.0908 8.0908 9.1653 9.1654 k =-0.2068 0.6129 0.7586 ( 5852 PWs) bands (ev): -20.6840 -20.6840 -20.6682 -20.6682 -20.1710 -20.1710 -7.4546 -7.4546 -7.4086 -7.4086 -6.9340 -6.9340 -5.5901 -5.5901 -5.5565 -5.5565 -5.3505 -5.3505 -5.2857 -5.2857 -5.0061 -5.0061 -4.8525 -4.8525 -0.3744 -0.3744 -0.0981 -0.0981 2.0584 2.0584 2.7942 2.7942 4.7389 4.7389 5.9591 5.9591 6.2170 6.2170 6.2891 6.2891 6.3006 6.3006 6.9198 6.9198 7.3291 7.3291 7.9722 7.9722 8.1228 8.1228 9.1437 9.1437 k =-0.2137 0.6333 0.7839 ( 5848 PWs) bands (ev): -20.6823 -20.6823 -20.6690 -20.6690 -20.1706 -20.1706 -7.4532 -7.4532 -7.4136 -7.4136 -6.9361 -6.9361 -5.5910 -5.5910 -5.5614 -5.5614 -5.3487 -5.3487 -5.2889 -5.2889 -5.0101 -5.0101 -4.8514 -4.8514 -0.3375 -0.3375 -0.0747 -0.0747 2.0097 2.0097 2.7405 2.7405 4.8070 4.8070 5.8680 5.8680 6.2381 6.2381 6.2747 6.2747 6.3360 6.3360 6.8742 6.8742 7.2758 7.2758 7.9789 7.9789 8.1600 8.1600 9.1257 9.1257 k =-0.2206 0.6537 0.8092 ( 5852 PWs) bands (ev): -20.6807 -20.6807 -20.6699 -20.6699 -20.1702 -20.1702 -7.4514 -7.4514 -7.4184 -7.4184 -6.9379 -6.9379 -5.5912 -5.5912 -5.5662 -5.5662 -5.3466 -5.3466 -5.2925 -5.2925 -5.0132 -5.0132 -4.8505 -4.8505 -0.3048 -0.3048 -0.0552 -0.0552 1.9672 1.9672 2.6953 2.6953 4.8787 4.8787 5.7767 5.7767 6.2581 6.2581 6.2608 6.2608 6.3712 6.3712 6.8320 6.8320 7.2282 7.2282 7.9870 7.9870 8.2017 8.2017 9.1117 9.1117 k =-0.2275 0.6741 0.8344 ( 5854 PWs) bands (ev): -20.6791 -20.6791 -20.6708 -20.6708 -20.1699 -20.1699 -7.4493 -7.4493 -7.4229 -7.4229 -6.9393 -6.9393 -5.5907 -5.5907 -5.5706 -5.5706 -5.3442 -5.3442 -5.2965 -5.2965 -5.0153 -5.0153 -4.8496 -4.8496 -0.2772 -0.2772 -0.0400 -0.0400 1.9318 1.9318 2.6590 2.6590 4.9536 4.9536 5.6863 5.6863 6.2441 6.2441 6.2815 6.2815 6.4026 6.4026 6.7930 6.7930 7.1882 7.1882 7.9965 7.9965 8.2473 8.2473 9.1015 9.1015 k =-0.2344 0.6946 0.8597 ( 5860 PWs) bands (ev): -20.6777 -20.6777 -20.6719 -20.6719 -20.1697 -20.1697 -7.4468 -7.4468 -7.4272 -7.4272 -6.9404 -6.9404 -5.5894 -5.5894 -5.5746 -5.5746 -5.3418 -5.3418 -5.3007 -5.3007 -5.0165 -5.0165 -4.8489 -4.8489 -0.2552 -0.2552 -0.0295 -0.0295 1.9042 1.9042 2.6322 2.6322 5.0312 5.0312 5.5975 5.5975 6.2288 6.2288 6.3050 6.3050 6.4275 6.4275 6.7573 6.7573 7.1585 7.1585 8.0073 8.0073 8.2963 8.2963 9.0953 9.0953 k =-0.2413 0.7150 0.8850 ( 5856 PWs) bands (ev): -20.6762 -20.6762 -20.6730 -20.6730 -20.1696 -20.1696 -7.4439 -7.4439 -7.4311 -7.4311 -6.9411 -6.9411 -5.5875 -5.5875 -5.5780 -5.5780 -5.3392 -5.3392 -5.3051 -5.3051 -5.0167 -5.0167 -4.8483 -4.8483 -0.2393 -0.2393 -0.0241 -0.0241 1.8853 1.8853 2.6152 2.6152 5.1106 5.1106 5.5112 5.5112 6.2136 6.2136 6.3296 6.3296 6.4434 6.4434 6.7248 6.7248 7.1416 7.1416 8.0192 8.0192 8.3480 8.3480 9.0930 9.0930 k =-0.2482 0.7354 0.9103 ( 5856 PWs) bands (ev): -20.6749 -20.6749 -20.6742 -20.6742 -20.1695 -20.1695 -7.4407 -7.4407 -7.4347 -7.4347 -6.9414 -6.9414 -5.5854 -5.5854 -5.5806 -5.5806 -5.3368 -5.3368 -5.3096 -5.3096 -5.0161 -5.0161 -4.8478 -4.8478 -0.2301 -0.2301 -0.0239 -0.0239 1.8755 1.8755 2.6082 2.6082 5.1898 5.1898 5.4293 5.4293 6.1990 6.1990 6.3538 6.3538 6.4497 6.4497 6.6956 6.6956 7.1395 7.1395 8.0320 8.0320 8.4016 8.4016 9.0938 9.0938 k =-0.2551 0.7559 0.9356 ( 5852 PWs) bands (ev): -20.6755 -20.6755 -20.6736 -20.6736 -20.1695 -20.1695 -7.4381 -7.4381 -7.4371 -7.4371 -6.9414 -6.9414 -5.5850 -5.5850 -5.5802 -5.5802 -5.3347 -5.3347 -5.3139 -5.3139 -5.0146 -5.0146 -4.8475 -4.8475 -0.2277 -0.2277 -0.0291 -0.0291 1.8749 1.8749 2.6115 2.6115 5.2567 5.2567 5.3642 5.3642 6.1849 6.1849 6.3728 6.3728 6.4504 6.4504 6.6700 6.6700 7.1526 7.1526 8.0457 8.0457 8.4564 8.4564 9.0905 9.0905 k =-0.2620 0.7763 0.9609 ( 5848 PWs) bands (ev): -20.6769 -20.6769 -20.6725 -20.6725 -20.1696 -20.1696 -7.4411 -7.4411 -7.4332 -7.4332 -6.9410 -6.9410 -5.5865 -5.5865 -5.5768 -5.5768 -5.3335 -5.3335 -5.3172 -5.3172 -5.0124 -5.0124 -4.8473 -4.8473 -0.2321 -0.2321 -0.0396 -0.0396 1.8835 1.8835 2.6250 2.6250 5.2388 5.2388 5.3882 5.3882 6.1716 6.1716 6.3741 6.3741 6.4585 6.4585 6.6486 6.6486 7.1800 7.1800 8.0600 8.0600 8.5115 8.5115 9.0405 9.0405 k =-0.2620 0.7763 0.9609 ( 5848 PWs) bands (ev): -20.6769 -20.6769 -20.6725 -20.6725 -20.1696 -20.1696 -7.4411 -7.4411 -7.4332 -7.4332 -6.9410 -6.9410 -5.5865 -5.5865 -5.5768 -5.5768 -5.3335 -5.3335 -5.3172 -5.3172 -5.0124 -5.0124 -4.8473 -4.8473 -0.2321 -0.2321 -0.0396 -0.0396 1.8835 1.8835 2.6250 2.6250 5.2388 5.2388 5.3882 5.3882 6.1716 6.1716 6.3741 6.3741 6.4585 6.4585 6.6486 6.6486 7.1800 7.1800 8.0600 8.0600 8.5115 8.5115 9.0405 9.0405 k =-0.2539 0.7524 0.9823 ( 5850 PWs) bands (ev): -20.6769 -20.6769 -20.6724 -20.6724 -20.1696 -20.1696 -7.4411 -7.4411 -7.4332 -7.4332 -6.9411 -6.9411 -5.5878 -5.5878 -5.5753 -5.5753 -5.3350 -5.3350 -5.3162 -5.3162 -5.0123 -5.0123 -4.8475 -4.8475 -0.2322 -0.2322 -0.0405 -0.0405 1.8830 1.8830 2.6260 2.6260 5.2393 5.2393 5.3871 5.3871 6.1726 6.1726 6.3738 6.3738 6.4595 6.4595 6.6508 6.6508 7.1813 7.1813 8.0612 8.0612 8.4949 8.4949 9.0379 9.0379 k =-0.2459 0.7286 1.0038 ( 5863 PWs) bands (ev): -20.6769 -20.6769 -20.6724 -20.6724 -20.1696 -20.1696 -7.4411 -7.4411 -7.4333 -7.4333 -6.9411 -6.9411 -5.5906 -5.5906 -5.5721 -5.5721 -5.3386 -5.3386 -5.3137 -5.3137 -5.0123 -5.0123 -4.8481 -4.8481 -0.2322 -0.2322 -0.0431 -0.0431 1.8815 1.8815 2.6290 2.6290 5.2408 5.2408 5.3837 5.3837 6.1753 6.1753 6.3728 6.3728 6.4627 6.4627 6.6571 6.6571 7.1855 7.1855 8.0645 8.0645 8.4500 8.4500 9.0304 9.0304 k =-0.2378 0.7047 1.0253 ( 5861 PWs) bands (ev): -20.6768 -20.6768 -20.6724 -20.6724 -20.1696 -20.1696 -7.4412 -7.4412 -7.4334 -7.4334 -6.9412 -6.9412 -5.5937 -5.5937 -5.5682 -5.5682 -5.3433 -5.3433 -5.3109 -5.3109 -5.0122 -5.0122 -4.8492 -4.8492 -0.2323 -0.2323 -0.0475 -0.0475 1.8790 1.8790 2.6341 2.6341 5.2433 5.2433 5.3784 5.3784 6.1794 6.1794 6.3711 6.3711 6.4682 6.4682 6.6673 6.6673 7.1924 7.1924 8.0699 8.0699 8.3870 8.3870 9.0193 9.0193 k =-0.2298 0.6808 1.0468 ( 5853 PWs) bands (ev): -20.6767 -20.6767 -20.6724 -20.6724 -20.1695 -20.1695 -7.4413 -7.4413 -7.4336 -7.4336 -6.9414 -6.9414 -5.5969 -5.5969 -5.5641 -5.5641 -5.3487 -5.3487 -5.3081 -5.3081 -5.0120 -5.0120 -4.8507 -4.8507 -0.2325 -0.2325 -0.0536 -0.0536 1.8755 1.8755 2.6411 2.6411 5.2468 5.2468 5.3716 5.3716 6.1844 6.1844 6.3689 6.3689 6.4762 6.4762 6.6810 6.6810 7.2020 7.2020 8.0768 8.0768 8.3142 8.3142 9.0068 9.0068 k =-0.2217 0.6570 1.0682 ( 5855 PWs) bands (ev): -20.6766 -20.6766 -20.6723 -20.6723 -20.1694 -20.1694 -7.4414 -7.4414 -7.4338 -7.4338 -6.9416 -6.9416 -5.5999 -5.5999 -5.5598 -5.5598 -5.3545 -5.3545 -5.3056 -5.3056 -5.0119 -5.0119 -4.8525 -4.8525 -0.2328 -0.2328 -0.0612 -0.0612 1.8710 1.8710 2.6499 2.6499 5.2514 5.2514 5.3638 5.3638 6.1893 6.1893 6.3669 6.3669 6.4863 6.4863 6.6978 6.6978 7.2145 7.2145 8.0848 8.0848 8.2370 8.2370 8.9949 8.9949 k =-0.2137 0.6331 1.0897 ( 5861 PWs) bands (ev): -20.6765 -20.6765 -20.6723 -20.6723 -20.1694 -20.1694 -7.4416 -7.4416 -7.4341 -7.4341 -6.9418 -6.9418 -5.6027 -5.6027 -5.5554 -5.5554 -5.3606 -5.3606 -5.3034 -5.3034 -5.0117 -5.0117 -4.8547 -4.8547 -0.2331 -0.2331 -0.0704 -0.0704 1.8656 1.8656 2.6605 2.6605 5.2568 5.2568 5.3557 5.3557 6.1927 6.1927 6.3661 6.3661 6.4983 6.4983 6.7170 6.7170 7.2297 7.2297 8.0929 8.0929 8.1591 8.1591 8.9857 8.9857 k =-0.2056 0.6093 1.1112 ( 5863 PWs) bands (ev): -20.6764 -20.6764 -20.6722 -20.6722 -20.1693 -20.1693 -7.4418 -7.4418 -7.4345 -7.4345 -6.9421 -6.9421 -5.6054 -5.6054 -5.5510 -5.5510 -5.3670 -5.3670 -5.3017 -5.3017 -5.0114 -5.0114 -4.8572 -4.8572 -0.2336 -0.2336 -0.0809 -0.0809 1.8593 1.8593 2.6728 2.6728 5.2629 5.2629 5.3481 5.3481 6.1931 6.1931 6.3681 6.3681 6.5116 6.5116 6.7381 6.7381 7.2475 7.2475 8.0764 8.0764 8.1066 8.1066 8.9811 8.9811 k =-0.1976 0.5854 1.1326 ( 5859 PWs) bands (ev): -20.6762 -20.6762 -20.6722 -20.6722 -20.1692 -20.1692 -7.4420 -7.4420 -7.4349 -7.4349 -6.9424 -6.9424 -5.6078 -5.6078 -5.5466 -5.5466 -5.3735 -5.3735 -5.3004 -5.3004 -5.0112 -5.0112 -4.8600 -4.8600 -0.2342 -0.2342 -0.0927 -0.0927 1.8522 1.8522 2.6867 2.6867 5.2694 5.2694 5.3420 5.3420 6.1891 6.1891 6.3742 6.3742 6.5253 6.5253 6.7606 6.7606 7.2678 7.2678 8.0028 8.0028 8.1129 8.1129 8.9825 8.9825 k =-0.1895 0.5615 1.1541 ( 5860 PWs) bands (ev): -20.6761 -20.6761 -20.6721 -20.6721 -20.1690 -20.1690 -7.4422 -7.4422 -7.4353 -7.4353 -6.9428 -6.9428 -5.6099 -5.6099 -5.5422 -5.5422 -5.3800 -5.3800 -5.2995 -5.2995 -5.0109 -5.0109 -4.8630 -4.8630 -0.2349 -0.2349 -0.1057 -0.1057 1.8443 1.8443 2.7019 2.7019 5.2754 5.2754 5.3387 5.3387 6.1802 6.1802 6.3852 6.3852 6.5387 6.5387 6.7840 6.7840 7.2900 7.2900 7.9303 7.9303 8.1206 8.1206 8.9909 8.9909 k =-0.1815 0.5377 1.1756 ( 5858 PWs) bands (ev): -20.6759 -20.6759 -20.6720 -20.6720 -20.1689 -20.1689 -7.4425 -7.4425 -7.4358 -7.4358 -6.9431 -6.9431 -5.6119 -5.6119 -5.5379 -5.5379 -5.3866 -5.3866 -5.2990 -5.2990 -5.0107 -5.0107 -4.8661 -4.8661 -0.2358 -0.2358 -0.1195 -0.1195 1.8356 1.8356 2.7184 2.7184 5.2801 5.2801 5.3394 5.3394 6.1665 6.1665 6.4006 6.4006 6.5509 6.5509 6.8081 6.8081 7.3136 7.3136 7.8620 7.8620 8.1277 8.1277 9.0068 9.0068 k =-0.1734 0.5138 1.1971 ( 5856 PWs) bands (ev): -20.6757 -20.6757 -20.6719 -20.6719 -20.1688 -20.1688 -7.4428 -7.4428 -7.4363 -7.4363 -6.9436 -6.9436 -5.6135 -5.6135 -5.5338 -5.5338 -5.3930 -5.3930 -5.2990 -5.2990 -5.0105 -5.0105 -4.8695 -4.8695 -0.2369 -0.2369 -0.1342 -0.1342 1.8263 1.8263 2.7359 2.7359 5.2833 5.2833 5.3447 5.3447 6.1490 6.1490 6.4198 6.4198 6.5610 6.5610 6.8326 6.8326 7.3372 7.3372 7.7994 7.7994 8.1341 8.1341 9.0303 9.0303 k =-0.1654 0.4900 1.2185 ( 5852 PWs) bands (ev): -20.6755 -20.6755 -20.6718 -20.6718 -20.1686 -20.1686 -7.4431 -7.4431 -7.4369 -7.4369 -6.9440 -6.9440 -5.6148 -5.6148 -5.5299 -5.5299 -5.3992 -5.3992 -5.2995 -5.2995 -5.0103 -5.0103 -4.8729 -4.8729 -0.2382 -0.2382 -0.1495 -0.1495 1.8165 1.8165 2.7544 2.7544 5.2856 5.2856 5.3543 5.3543 6.1285 6.1285 6.4417 6.4417 6.5684 6.5684 6.8573 6.8573 7.3588 7.3588 7.7448 7.7448 8.1400 8.1400 9.0609 9.0609 k =-0.1573 0.4661 1.2400 ( 5851 PWs) bands (ev): -20.6752 -20.6752 -20.6717 -20.6717 -20.1685 -20.1685 -7.4434 -7.4434 -7.4375 -7.4375 -6.9444 -6.9444 -5.6159 -5.6159 -5.5263 -5.5263 -5.4051 -5.4051 -5.3003 -5.3003 -5.0101 -5.0101 -4.8763 -4.8763 -0.2397 -0.2397 -0.1652 -0.1652 1.8061 1.8061 2.7735 2.7735 5.2882 5.2882 5.3670 5.3670 6.1058 6.1058 6.4655 6.4655 6.5724 6.5724 6.8820 6.8820 7.3748 7.3748 7.7019 7.7019 8.1457 8.1457 9.0980 9.0980 k =-0.1493 0.4423 1.2615 ( 5855 PWs) bands (ev): -20.6750 -20.6750 -20.6717 -20.6717 -20.1683 -20.1683 -7.4437 -7.4437 -7.4381 -7.4381 -6.9449 -6.9449 -5.6166 -5.6166 -5.5233 -5.5233 -5.4105 -5.4105 -5.3016 -5.3016 -5.0100 -5.0100 -4.8798 -4.8798 -0.2414 -0.2414 -0.1811 -0.1811 1.7954 1.7954 2.7931 2.7931 5.2921 5.2921 5.3820 5.3820 6.0817 6.0817 6.4905 6.4905 6.5725 6.5725 6.9067 6.9067 7.3803 7.3803 7.6755 7.6755 8.1514 8.1514 9.1407 9.1407 k =-0.1412 0.4184 1.2829 ( 5857 PWs) bands (ev): -20.6748 -20.6748 -20.6716 -20.6716 -20.1682 -20.1682 -7.4440 -7.4440 -7.4388 -7.4388 -6.9454 -6.9454 -5.6170 -5.6170 -5.5208 -5.5208 -5.4152 -5.4152 -5.3033 -5.3033 -5.0099 -5.0099 -4.8831 -4.8831 -0.2435 -0.2435 -0.1970 -0.1970 1.7845 1.7845 2.8130 2.8130 5.2980 5.2980 5.3985 5.3985 6.0568 6.0568 6.5156 6.5156 6.5687 6.5687 6.9312 6.9312 7.3711 7.3711 7.6694 7.6694 8.1576 8.1576 9.1881 9.1881 k =-0.1332 0.3945 1.3044 ( 5849 PWs) bands (ev): -20.6745 -20.6745 -20.6715 -20.6715 -20.1680 -20.1680 -7.4443 -7.4443 -7.4395 -7.4395 -6.9459 -6.9459 -5.6171 -5.6171 -5.5192 -5.5192 -5.4190 -5.4190 -5.3054 -5.3054 -5.0100 -5.0100 -4.8864 -4.8864 -0.2460 -0.2460 -0.2126 -0.2126 1.7734 1.7734 2.8330 2.8330 5.3063 5.3063 5.4159 5.4159 6.0315 6.0315 6.5379 6.5379 6.5633 6.5633 6.9554 6.9554 7.3485 7.3485 7.6823 7.6823 8.1643 8.1643 9.2392 9.2392 k =-0.1251 0.3707 1.3259 ( 5854 PWs) bands (ev): -20.6743 -20.6743 -20.6714 -20.6714 -20.1679 -20.1679 -7.4446 -7.4446 -7.4402 -7.4402 -6.9464 -6.9464 -5.6169 -5.6169 -5.5185 -5.5185 -5.4218 -5.4218 -5.3079 -5.3079 -5.0101 -5.0101 -4.8895 -4.8895 -0.2496 -0.2496 -0.2270 -0.2270 1.7624 1.7624 2.8528 2.8528 5.3171 5.3171 5.4340 5.4340 6.0063 6.0063 6.5397 6.5397 6.5737 6.5737 6.9792 6.9792 7.3173 7.3173 7.7088 7.7088 8.1717 8.1717 9.2933 9.2933 k =-0.1170 0.3468 1.3473 ( 5854 PWs) bands (ev): -20.6741 -20.6741 -20.6714 -20.6714 -20.1677 -20.1677 -7.4449 -7.4449 -7.4409 -7.4409 -6.9469 -6.9469 -5.6163 -5.6163 -5.5188 -5.5188 -5.4234 -5.4234 -5.3107 -5.3107 -5.0103 -5.0103 -4.8924 -4.8924 -0.2557 -0.2557 -0.2386 -0.2386 1.7514 1.7514 2.8723 2.8723 5.3305 5.3305 5.4524 5.4524 5.9816 5.9816 6.5239 6.5239 6.5966 6.5966 7.0023 7.0023 7.2825 7.2825 7.7437 7.7437 8.1798 8.1798 9.3499 9.3499 k =-0.1090 0.3230 1.3688 ( 5848 PWs) bands (ev): -20.6738 -20.6738 -20.6713 -20.6713 -20.1676 -20.1676 -7.4452 -7.4452 -7.4416 -7.4416 -6.9474 -6.9474 -5.6154 -5.6154 -5.5202 -5.5202 -5.4237 -5.4237 -5.3139 -5.3139 -5.0106 -5.0106 -4.8951 -4.8951 -0.2662 -0.2662 -0.2455 -0.2455 1.7407 1.7407 2.8912 2.8912 5.3464 5.3464 5.4708 5.4708 5.9577 5.9577 6.5024 6.5024 6.6201 6.6201 7.0245 7.0245 7.2472 7.2472 7.7833 7.7833 8.1884 8.1884 9.4085 9.4085 k =-0.1009 0.2991 1.3903 ( 5856 PWs) bands (ev): -20.6736 -20.6736 -20.6712 -20.6712 -20.1674 -20.1674 -7.4455 -7.4455 -7.4423 -7.4423 -6.9479 -6.9479 -5.6142 -5.6142 -5.5226 -5.5226 -5.4229 -5.4229 -5.3174 -5.3174 -5.0109 -5.0109 -4.8976 -4.8976 -0.2789 -0.2789 -0.2495 -0.2495 1.7303 1.7303 2.9093 2.9093 5.3647 5.3647 5.4889 5.4889 5.9349 5.9349 6.4769 6.4769 6.6426 6.6426 7.0457 7.0457 7.2130 7.2130 7.8255 7.8255 8.1973 8.1973 9.4690 9.4690 k =-0.0929 0.2752 1.4118 ( 5858 PWs) bands (ev): -20.6733 -20.6733 -20.6712 -20.6712 -20.1673 -20.1673 -7.4458 -7.4458 -7.4430 -7.4430 -6.9484 -6.9484 -5.6126 -5.6126 -5.5259 -5.5259 -5.4211 -5.4211 -5.3212 -5.3212 -5.0114 -5.0114 -4.8998 -4.8998 -0.2918 -0.2918 -0.2526 -0.2526 1.7204 1.7204 2.9264 2.9264 5.3851 5.3851 5.5067 5.5067 5.9135 5.9135 6.4480 6.4480 6.6636 6.6636 7.0656 7.0656 7.1810 7.1810 7.8687 7.8687 8.2062 8.2062 9.5312 9.5312 k =-0.0848 0.2514 1.4332 ( 5859 PWs) bands (ev): -20.6731 -20.6731 -20.6712 -20.6712 -20.1672 -20.1672 -7.4460 -7.4460 -7.4437 -7.4437 -6.9488 -6.9488 -5.6107 -5.6107 -5.5300 -5.5300 -5.4183 -5.4183 -5.3253 -5.3253 -5.0119 -5.0119 -4.9018 -4.9018 -0.3040 -0.3040 -0.2553 -0.2553 1.7111 1.7111 2.9424 2.9424 5.4072 5.4072 5.5241 5.5241 5.8936 5.8936 6.4165 6.4165 6.6829 6.6829 7.0835 7.0835 7.1523 7.1523 7.9115 7.9115 8.2150 8.2150 9.5949 9.5949 k =-0.0768 0.2275 1.4547 ( 5855 PWs) bands (ev): -20.6729 -20.6729 -20.6711 -20.6711 -20.1670 -20.1670 -7.4462 -7.4462 -7.4443 -7.4443 -6.9492 -6.9492 -5.6084 -5.6084 -5.5345 -5.5345 -5.4148 -5.4148 -5.3296 -5.3296 -5.0125 -5.0125 -4.9035 -4.9035 -0.3154 -0.3154 -0.2578 -0.2578 1.7026 1.7026 2.9571 2.9571 5.4303 5.4303 5.5412 5.5412 5.8756 5.8756 6.3830 6.3830 6.7002 6.7002 7.0969 7.0969 7.1296 7.1296 7.9530 7.9530 8.2233 8.2233 9.6600 9.6600 k =-0.0687 0.2037 1.4762 ( 5847 PWs) bands (ev): -20.6727 -20.6727 -20.6711 -20.6711 -20.1669 -20.1669 -7.4463 -7.4463 -7.4449 -7.4449 -6.9496 -6.9496 -5.6059 -5.6059 -5.5394 -5.5394 -5.4107 -5.4107 -5.3342 -5.3342 -5.0130 -5.0130 -4.9050 -4.9050 -0.3256 -0.3256 -0.2602 -0.2602 1.6948 1.6948 2.9703 2.9703 5.4536 5.4536 5.5583 5.5583 5.8595 5.8595 6.3481 6.3481 6.7155 6.7155 7.0923 7.0923 7.1262 7.1262 7.9924 7.9924 8.2308 8.2308 9.7257 9.7257 k =-0.0607 0.1798 1.4976 ( 5851 PWs) bands (ev): -20.6725 -20.6725 -20.6711 -20.6711 -20.1668 -20.1668 -7.4465 -7.4465 -7.4454 -7.4454 -6.9499 -6.9499 -5.6030 -5.6030 -5.5445 -5.5445 -5.4063 -5.4063 -5.3388 -5.3388 -5.0136 -5.0136 -4.9063 -4.9063 -0.3347 -0.3347 -0.2624 -0.2624 1.6880 1.6880 2.9818 2.9818 5.4758 5.4758 5.5759 5.5759 5.8456 5.8456 6.3127 6.3127 6.7286 6.7286 7.0752 7.0752 7.1366 7.1366 8.0287 8.0287 8.2374 8.2374 9.7912 9.7912 k =-0.0526 0.1559 1.5191 ( 5847 PWs) bands (ev): -20.6723 -20.6723 -20.6712 -20.6712 -20.1667 -20.1667 -7.4468 -7.4468 -7.4458 -7.4458 -6.9502 -6.9502 -5.5999 -5.5999 -5.5497 -5.5497 -5.4015 -5.4015 -5.3436 -5.3436 -5.0142 -5.0142 -4.9073 -4.9073 -0.3424 -0.3424 -0.2644 -0.2644 1.6821 1.6821 2.9916 2.9916 5.4954 5.4954 5.5949 5.5949 5.8339 5.8339 6.2777 6.2777 6.7396 6.7396 7.0588 7.0588 7.1474 7.1474 8.0613 8.0613 8.2429 8.2429 9.8551 9.8551 k =-0.0446 0.1321 1.5406 ( 5840 PWs) bands (ev): -20.6721 -20.6721 -20.6712 -20.6712 -20.1667 -20.1667 -7.4471 -7.4471 -7.4459 -7.4459 -6.9505 -6.9505 -5.5966 -5.5966 -5.5547 -5.5547 -5.3967 -5.3967 -5.3484 -5.3484 -5.0147 -5.0147 -4.9081 -4.9081 -0.3487 -0.3487 -0.2663 -0.2663 1.6774 1.6774 2.9995 2.9995 5.5110 5.5110 5.6155 5.6155 5.8245 5.8245 6.2443 6.2443 6.7483 6.7483 7.0451 7.0451 7.1563 7.1563 8.0897 8.0897 8.2470 8.2470 9.9156 9.9156 k =-0.0365 0.1082 1.5621 ( 5838 PWs) bands (ev): -20.6719 -20.6719 -20.6713 -20.6713 -20.1666 -20.1666 -7.4475 -7.4475 -7.4460 -7.4460 -6.9507 -6.9507 -5.5933 -5.5933 -5.5596 -5.5596 -5.3920 -5.3920 -5.3531 -5.3531 -5.0151 -5.0151 -4.9087 -4.9087 -0.3536 -0.3536 -0.2679 -0.2679 1.6738 1.6738 3.0055 3.0055 5.5218 5.5218 5.6373 5.6373 5.8175 5.8175 6.2137 6.2137 6.7549 6.7549 7.0343 7.0343 7.1630 7.1630 8.1132 8.1132 8.2497 8.2497 9.9701 9.9701 k =-0.0285 0.0844 1.5835 ( 5844 PWs) bands (ev): -20.6718 -20.6718 -20.6713 -20.6713 -20.1666 -20.1666 -7.4479 -7.4479 -7.4459 -7.4459 -6.9508 -6.9508 -5.5900 -5.5900 -5.5638 -5.5638 -5.3877 -5.3877 -5.3572 -5.3572 -5.0154 -5.0154 -4.9092 -4.9092 -0.3569 -0.3569 -0.2694 -0.2694 1.6713 1.6713 3.0094 3.0094 5.5278 5.5278 5.6590 5.6590 5.8130 5.8130 6.1875 6.1875 6.7594 6.7594 7.0265 7.0265 7.1670 7.1670 8.1315 8.1315 8.2510 8.2510 10.0151 10.0151 k =-0.0285 0.0844 1.5835 ( 5844 PWs) bands (ev): -20.6718 -20.6718 -20.6713 -20.6713 -20.1666 -20.1666 -7.4479 -7.4479 -7.4459 -7.4459 -6.9508 -6.9508 -5.5900 -5.5900 -5.5638 -5.5638 -5.3877 -5.3877 -5.3572 -5.3572 -5.0154 -5.0154 -4.9092 -4.9092 -0.3569 -0.3569 -0.2694 -0.2694 1.6713 1.6713 3.0094 3.0094 5.5278 5.5278 5.6590 5.6590 5.8130 5.8130 6.1875 6.1875 6.7594 6.7594 7.0265 7.0265 7.1670 7.1670 8.1315 8.1315 8.2510 8.2510 10.0151 10.0151 k =-0.0190 0.0562 1.5835 ( 5849 PWs) bands (ev): -20.6716 -20.6716 -20.6714 -20.6714 -20.1665 -20.1665 -7.4485 -7.4485 -7.4458 -7.4458 -6.9511 -6.9511 -5.5866 -5.5866 -5.5685 -5.5685 -5.3844 -5.3844 -5.3604 -5.3604 -5.0162 -5.0162 -4.9093 -4.9093 -0.3563 -0.3563 -0.2680 -0.2680 1.6648 1.6648 3.0049 3.0049 5.5311 5.5311 5.6729 5.6729 5.8118 5.8118 6.1748 6.1748 6.7724 6.7724 7.0103 7.0103 7.1634 7.1634 8.1420 8.1420 8.2513 8.2513 10.0413 10.0413 k =-0.0095 0.0281 1.5835 ( 5849 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4489 -7.4489 -7.4457 -7.4457 -6.9513 -6.9513 -5.5831 -5.5831 -5.5726 -5.5726 -5.3819 -5.3819 -5.3629 -5.3629 -5.0167 -5.0167 -4.9093 -4.9093 -0.3560 -0.3560 -0.2672 -0.2672 1.6609 1.6609 3.0022 3.0022 5.5330 5.5330 5.6818 5.6818 5.8110 5.8110 6.1667 6.1667 6.7810 6.7810 6.9999 6.9999 7.1611 7.1611 8.1486 8.1486 8.2515 8.2515 10.0566 10.0566 k = 0.0000 0.0000 1.5835 ( 5846 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5811 -5.5811 -5.5749 -5.5749 -5.3809 -5.3809 -5.3639 -5.3639 -5.0169 -5.0169 -4.9093 -4.9093 -0.3559 -0.3559 -0.2669 -0.2669 1.6596 1.6596 3.0013 3.0013 5.5336 5.5336 5.6849 5.6849 5.8107 5.8107 6.1639 6.1639 6.7840 6.7840 6.9962 6.9962 7.1604 7.1604 8.1508 8.1508 8.2516 8.2516 10.0615 10.0615 k = 0.0000 0.0000 1.5835 ( 5846 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5811 -5.5811 -5.5749 -5.5749 -5.3809 -5.3809 -5.3639 -5.3639 -5.0169 -5.0169 -4.9093 -4.9093 -0.3559 -0.3559 -0.2669 -0.2669 1.6596 1.6596 3.0013 3.0013 5.5336 5.5336 5.6849 5.6849 5.8107 5.8107 6.1639 6.1639 6.7840 6.7840 6.9962 6.9962 7.1604 7.1604 8.1508 8.1508 8.2516 8.2516 10.0615 10.0615 k = 0.0312 0.0105 1.5835 ( 5846 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5811 -5.5811 -5.5749 -5.5749 -5.3807 -5.3807 -5.3640 -5.3640 -5.0169 -5.0169 -4.9093 -4.9093 -0.3559 -0.3559 -0.2669 -0.2669 1.6596 1.6596 3.0013 3.0013 5.5338 5.5338 5.6839 5.6839 5.8120 5.8120 6.1635 6.1635 6.7844 6.7844 6.9942 6.9942 7.1619 7.1619 8.1507 8.1507 8.2519 8.2519 10.0623 10.0623 k = 0.0625 0.0211 1.5835 ( 5842 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5810 -5.5810 -5.5750 -5.5750 -5.3804 -5.3804 -5.3644 -5.3644 -5.0168 -5.0168 -4.9094 -4.9094 -0.3558 -0.3558 -0.2670 -0.2670 1.6596 1.6596 3.0013 3.0013 5.5341 5.5341 5.6812 5.6812 5.8156 5.8156 6.1624 6.1624 6.7855 6.7855 6.9885 6.9885 7.1662 7.1662 8.1502 8.1502 8.2528 8.2528 10.0634 10.0634 k = 0.0938 0.0316 1.5835 ( 5834 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5810 -5.5810 -5.5750 -5.5750 -5.3798 -5.3798 -5.3650 -5.3650 -5.0168 -5.0168 -4.9094 -4.9094 -0.3558 -0.3558 -0.2670 -0.2670 1.6596 1.6596 3.0013 3.0013 5.5347 5.5347 5.6774 5.6774 5.8208 5.8208 6.1607 6.1607 6.7872 6.7872 6.9805 6.9805 7.1721 7.1721 8.1494 8.1494 8.2541 8.2541 10.0617 10.0617 k = 0.1250 0.0422 1.5835 ( 5828 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5809 -5.5809 -5.5751 -5.5751 -5.3790 -5.3790 -5.3657 -5.3657 -5.0167 -5.0167 -4.9094 -4.9094 -0.3558 -0.3558 -0.2670 -0.2670 1.6596 1.6596 3.0013 3.0013 5.5353 5.5353 5.6733 5.6733 5.8266 5.8266 6.1587 6.1587 6.7891 6.7891 6.9717 6.9717 7.1785 7.1785 8.1486 8.1486 8.2557 8.2557 10.0567 10.0567 k = 0.1562 0.0527 1.5835 ( 5828 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5808 -5.5808 -5.5753 -5.5753 -5.3781 -5.3781 -5.3666 -5.3666 -5.0167 -5.0167 -4.9094 -4.9094 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5360 5.5360 5.6694 5.6694 5.8321 5.8321 6.1568 6.1568 6.7911 6.7911 6.9633 6.9633 7.1844 7.1844 8.1478 8.1478 8.2572 8.2572 10.0502 10.0502 k = 0.1875 0.0633 1.5835 ( 5830 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5807 -5.5807 -5.5753 -5.5753 -5.3773 -5.3773 -5.3674 -5.3674 -5.0166 -5.0166 -4.9095 -4.9095 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5366 5.5366 5.6663 5.6663 5.8366 5.8366 6.1551 6.1551 6.7927 6.7927 6.9565 6.9565 7.1890 7.1890 8.1471 8.1471 8.2585 8.2585 10.0443 10.0443 k = 0.2188 0.0738 1.5835 ( 5834 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5807 -5.5807 -5.5754 -5.5754 -5.3766 -5.3766 -5.3681 -5.3681 -5.0166 -5.0166 -4.9095 -4.9095 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5369 5.5369 5.6643 5.6643 5.8395 5.8395 6.1540 6.1540 6.7939 6.7939 6.9520 6.9520 7.1920 7.1920 8.1466 8.1466 8.2593 8.2593 10.0402 10.0402 k = 0.2500 0.0844 1.5835 ( 5840 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5807 -5.5807 -5.5754 -5.5754 -5.3764 -5.3764 -5.3684 -5.3684 -5.0166 -5.0166 -4.9095 -4.9095 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5371 5.5371 5.6636 5.6636 5.8406 5.8406 6.1537 6.1537 6.7942 6.7942 6.9505 6.9505 7.1931 7.1931 8.1465 8.1465 8.2597 8.2597 10.0388 10.0388 k = 0.2500 0.0844 1.5835 ( 5840 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5807 -5.5807 -5.5754 -5.5754 -5.3764 -5.3764 -5.3684 -5.3684 -5.0166 -5.0166 -4.9095 -4.9095 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5371 5.5371 5.6636 5.6636 5.8406 5.8406 6.1537 6.1537 6.7942 6.7942 6.9505 6.9505 7.1931 7.1931 8.1465 8.1465 8.2597 8.2597 10.0388 10.0388 k = 0.2419 0.1083 1.5620 ( 5842 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5835 -5.5835 -5.5724 -5.5724 -5.3794 -5.3794 -5.3654 -5.3654 -5.0165 -5.0165 -4.9094 -4.9094 -0.3549 -0.3549 -0.2670 -0.2670 1.6603 1.6603 3.0002 3.0002 5.5355 5.5355 5.6598 5.6598 5.8421 5.8421 6.1584 6.1584 6.7933 6.7933 6.9518 6.9518 7.1919 7.1919 8.1433 8.1433 8.2590 8.2590 10.0209 10.0209 k = 0.2339 0.1322 1.5405 ( 5840 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1665 -20.1665 -7.4489 -7.4489 -7.4456 -7.4456 -6.9512 -6.9512 -5.5878 -5.5878 -5.5674 -5.5674 -5.3846 -5.3846 -5.3602 -5.3602 -5.0164 -5.0164 -4.9092 -4.9092 -0.3525 -0.3525 -0.2665 -0.2665 1.6621 1.6621 2.9971 2.9971 5.5308 5.5308 5.6490 5.6490 5.8468 5.8468 6.1720 6.1720 6.7905 6.7905 6.9559 6.9559 7.1884 7.1884 8.1339 8.1339 8.2570 8.2570 9.9775 9.9775 k = 0.2258 0.1561 1.5190 ( 5834 PWs) bands (ev): -20.6715 -20.6715 -20.6715 -20.6715 -20.1665 -20.1665 -7.4488 -7.4488 -7.4454 -7.4454 -6.9511 -6.9511 -5.5920 -5.5920 -5.5622 -5.5622 -5.3900 -5.3900 -5.3548 -5.3548 -5.0161 -5.0161 -4.9088 -4.9088 -0.3486 -0.3486 -0.2658 -0.2658 1.6651 1.6651 2.9920 2.9920 5.5231 5.5231 5.6324 5.6324 5.8543 5.8543 6.1932 6.1932 6.7857 6.7857 6.9626 6.9626 7.1827 7.1827 8.1183 8.1183 8.2538 8.2538 9.9223 9.9223 k = 0.2177 0.1800 1.4975 ( 5840 PWs) bands (ev): -20.6715 -20.6715 -20.6715 -20.6715 -20.1666 -20.1666 -7.4486 -7.4486 -7.4452 -7.4452 -6.9509 -6.9509 -5.5959 -5.5959 -5.5568 -5.5568 -5.3954 -5.3954 -5.3494 -5.3494 -5.0158 -5.0158 -4.9082 -4.9082 -0.3431 -0.3431 -0.2647 -0.2647 1.6693 1.6693 2.9849 2.9849 5.5129 5.5129 5.6116 5.6116 5.8644 5.8644 6.2200 6.2200 6.7791 6.7791 6.9721 6.9721 7.1749 7.1749 8.0968 8.0968 8.2496 8.2496 9.8627 9.8627 k = 0.2097 0.2039 1.4760 ( 5844 PWs) bands (ev): -20.6716 -20.6716 -20.6716 -20.6716 -20.1666 -20.1666 -7.4484 -7.4484 -7.4449 -7.4449 -6.9507 -6.9507 -5.5996 -5.5996 -5.5513 -5.5513 -5.4007 -5.4007 -5.3441 -5.3441 -5.0153 -5.0153 -4.9074 -4.9074 -0.3362 -0.3362 -0.2634 -0.2634 1.6746 1.6746 2.9759 2.9759 5.5004 5.5004 5.5883 5.5883 5.8769 5.8769 6.2508 6.2508 6.7705 6.7705 6.9842 6.9842 7.1653 7.1653 8.0697 8.0697 8.2445 8.2445 9.8032 9.8032 k = 0.2016 0.2277 1.4545 ( 5852 PWs) bands (ev): -20.6717 -20.6717 -20.6717 -20.6717 -20.1667 -20.1667 -7.4481 -7.4481 -7.4446 -7.4446 -6.9504 -6.9504 -5.6030 -5.6030 -5.5459 -5.5459 -5.4057 -5.4057 -5.3389 -5.3389 -5.0149 -5.0149 -4.9064 -4.9064 -0.3279 -0.3279 -0.2619 -0.2619 1.6810 1.6810 2.9650 2.9650 5.4860 5.4860 5.5636 5.5636 5.8915 5.8915 6.2840 6.2840 6.7600 6.7600 6.9991 6.9991 7.1540 7.1540 8.0374 8.0374 8.2388 8.2388 9.7462 9.7462 k = 0.1935 0.2516 1.4330 ( 5854 PWs) bands (ev): -20.6718 -20.6718 -20.6718 -20.6718 -20.1668 -20.1668 -7.4478 -7.4478 -7.4442 -7.4442 -6.9500 -6.9500 -5.6061 -5.6061 -5.5406 -5.5406 -5.4104 -5.4104 -5.3339 -5.3339 -5.0144 -5.0144 -4.9052 -4.9052 -0.3183 -0.3183 -0.2600 -0.2600 1.6883 1.6883 2.9526 2.9526 5.4700 5.4700 5.5386 5.5386 5.9078 5.9078 6.3182 6.3182 6.7474 6.7474 7.0166 7.0166 7.1414 7.1414 8.0003 8.0003 8.2329 8.2329 9.6932 9.6932 k = 0.1855 0.2755 1.4115 ( 5862 PWs) bands (ev): -20.6719 -20.6719 -20.6719 -20.6719 -20.1669 -20.1669 -7.4475 -7.4475 -7.4438 -7.4438 -6.9497 -6.9497 -5.6088 -5.6088 -5.5355 -5.5355 -5.4147 -5.4147 -5.3291 -5.3291 -5.0139 -5.0139 -4.9037 -4.9037 -0.3075 -0.3075 -0.2580 -0.2580 1.6965 1.6965 2.9385 2.9385 5.4529 5.4529 5.5140 5.5140 5.9257 5.9257 6.3522 6.3522 6.7328 6.7328 7.0365 7.0365 7.1282 7.1282 7.9591 7.9591 8.2272 8.2272 9.6452 9.6452 k = 0.1774 0.2994 1.3900 ( 5858 PWs) bands (ev): -20.6720 -20.6720 -20.6720 -20.6720 -20.1670 -20.1670 -7.4471 -7.4471 -7.4434 -7.4434 -6.9492 -6.9492 -5.6112 -5.6112 -5.5308 -5.5308 -5.4183 -5.4183 -5.3245 -5.3245 -5.0135 -5.0135 -4.9020 -4.9020 -0.2957 -0.2957 -0.2556 -0.2556 1.7055 1.7055 2.9231 2.9231 5.4350 5.4350 5.4904 5.4904 5.9450 5.9450 6.3853 6.3853 6.7160 6.7160 7.0574 7.0574 7.1158 7.1158 7.9145 7.9145 8.2221 8.2221 9.6024 9.6024 k = 0.1694 0.3233 1.3685 ( 5862 PWs) bands (ev): -20.6722 -20.6722 -20.6721 -20.6721 -20.1672 -20.1672 -7.4467 -7.4467 -7.4429 -7.4429 -6.9488 -6.9488 -5.6132 -5.6132 -5.5267 -5.5267 -5.4212 -5.4212 -5.3203 -5.3203 -5.0131 -5.0131 -4.9000 -4.9000 -0.2831 -0.2831 -0.2529 -0.2529 1.7151 1.7151 2.9064 2.9064 5.4165 5.4165 5.4680 5.4680 5.9654 5.9654 6.4164 6.4164 6.6971 6.6971 7.0727 7.0727 7.1111 7.1111 7.8673 7.8673 8.2180 8.2180 9.5640 9.5640 k = 0.1613 0.3472 1.3470 ( 5862 PWs) bands (ev): -20.6723 -20.6723 -20.6723 -20.6723 -20.1673 -20.1673 -7.4463 -7.4463 -7.4424 -7.4424 -6.9483 -6.9483 -5.6149 -5.6149 -5.5233 -5.5233 -5.4231 -5.4231 -5.3162 -5.3162 -5.0128 -5.0128 -4.8978 -4.8978 -0.2704 -0.2704 -0.2492 -0.2492 1.7253 1.7253 2.8887 2.8887 5.3980 5.3980 5.4471 5.4471 5.9867 5.9867 6.4449 6.4449 6.6761 6.6761 7.0683 7.0683 7.1282 7.1282 7.8181 7.8181 8.2154 8.2154 9.5268 9.5268 k = 0.1532 0.3711 1.3255 ( 5862 PWs) bands (ev): -20.6724 -20.6724 -20.6724 -20.6724 -20.1674 -20.1674 -7.4458 -7.4458 -7.4419 -7.4419 -6.9479 -6.9479 -5.6163 -5.6163 -5.5208 -5.5208 -5.4240 -5.4240 -5.3125 -5.3125 -5.0125 -5.0125 -4.8953 -4.8953 -0.2595 -0.2595 -0.2429 -0.2429 1.7359 1.7359 2.8702 2.8702 5.3798 5.3798 5.4279 5.4279 6.0089 6.0089 6.4701 6.4701 6.6532 6.6532 7.0540 7.0540 7.1574 7.1574 7.7678 7.7678 8.2149 8.2149 9.4828 9.4828 k = 0.1452 0.3950 1.3040 ( 5864 PWs) bands (ev): -20.6726 -20.6726 -20.6726 -20.6726 -20.1676 -20.1676 -7.4454 -7.4454 -7.4414 -7.4414 -6.9474 -6.9474 -5.6172 -5.6172 -5.5194 -5.5194 -5.4236 -5.4236 -5.3092 -5.3092 -5.0123 -5.0123 -4.8926 -4.8926 -0.2529 -0.2529 -0.2318 -0.2318 1.7468 1.7468 2.8510 2.8510 5.3621 5.3621 5.4105 5.4105 6.0316 6.0316 6.4917 6.4917 6.6285 6.6285 7.0370 7.0370 7.1913 7.1913 7.7174 7.7174 8.2168 8.2168 9.4268 9.4268 k = 0.1371 0.4189 1.2825 ( 5866 PWs) bands (ev): -20.6727 -20.6727 -20.6727 -20.6727 -20.1677 -20.1677 -7.4449 -7.4449 -7.4409 -7.4409 -6.9469 -6.9469 -5.6179 -5.6179 -5.5191 -5.5191 -5.4220 -5.4220 -5.3061 -5.3061 -5.0123 -5.0123 -4.8897 -4.8897 -0.2490 -0.2490 -0.2173 -0.2173 1.7579 1.7579 2.8313 2.8313 5.3453 5.3453 5.3951 5.3951 6.0546 6.0546 6.5091 6.5091 6.6026 6.6026 7.0185 7.0185 7.2280 7.2280 7.6677 7.6677 8.2218 8.2218 9.3631 9.3631 k = 0.1290 0.4428 1.2610 ( 5868 PWs) bands (ev): -20.6729 -20.6729 -20.6729 -20.6729 -20.1679 -20.1679 -7.4444 -7.4444 -7.4403 -7.4403 -6.9464 -6.9464 -5.6182 -5.6182 -5.5198 -5.5198 -5.4192 -5.4192 -5.3035 -5.3035 -5.0123 -5.0123 -4.8866 -4.8866 -0.2461 -0.2461 -0.2016 -0.2016 1.7690 1.7690 2.8114 2.8114 5.3295 5.3295 5.3817 5.3817 6.0778 6.0778 6.5217 6.5217 6.5762 6.5762 6.9988 6.9988 7.2664 7.2664 7.6200 7.6200 8.2303 8.2303 9.2966 9.2966 k = 0.1210 0.4667 1.2395 ( 5870 PWs) bands (ev): -20.6731 -20.6731 -20.6731 -20.6731 -20.1681 -20.1681 -7.4440 -7.4440 -7.4398 -7.4398 -6.9459 -6.9459 -5.6181 -5.6181 -5.5216 -5.5216 -5.4154 -5.4154 -5.3012 -5.3012 -5.0124 -5.0124 -4.8834 -4.8834 -0.2437 -0.2437 -0.1853 -0.1853 1.7800 1.7800 2.7914 2.7914 5.3150 5.3150 5.3704 5.3704 6.1008 6.1008 6.5268 6.5268 6.5523 6.5523 6.9778 6.9778 7.3049 7.3049 7.5763 7.5763 8.2427 8.2427 9.2293 9.2293 k = 0.1129 0.4906 1.2180 ( 5870 PWs) bands (ev): -20.6732 -20.6732 -20.6732 -20.6732 -20.1682 -20.1682 -7.4435 -7.4435 -7.4393 -7.4393 -6.9454 -6.9454 -5.6177 -5.6177 -5.5241 -5.5241 -5.4106 -5.4106 -5.2993 -5.2993 -5.0125 -5.0125 -4.8800 -4.8800 -0.2416 -0.2416 -0.1689 -0.1689 1.7909 1.7909 2.7716 2.7716 5.3019 5.3019 5.3611 5.3611 6.1233 6.1233 6.5126 6.5126 6.5438 6.5438 6.9555 6.9555 7.3396 7.3396 7.5409 7.5409 8.2592 8.2592 9.1623 9.1623 k = 0.1048 0.5145 1.1965 ( 5882 PWs) bands (ev): -20.6734 -20.6734 -20.6734 -20.6734 -20.1684 -20.1684 -7.4431 -7.4431 -7.4388 -7.4388 -6.9449 -6.9449 -5.6170 -5.6170 -5.5272 -5.5272 -5.4052 -5.4052 -5.2979 -5.2979 -5.0128 -5.0128 -4.8766 -4.8766 -0.2396 -0.2396 -0.1525 -0.1525 1.8014 1.8014 2.7521 2.7521 5.2903 5.2903 5.3539 5.3539 6.1450 6.1450 6.4874 6.4874 6.5428 6.5428 6.9318 6.9318 7.3608 7.3608 7.5234 7.5234 8.2801 8.2801 9.0962 9.0962 k = 0.0968 0.5384 1.1750 ( 5872 PWs) bands (ev): -20.6735 -20.6735 -20.6735 -20.6735 -20.1685 -20.1685 -7.4426 -7.4426 -7.4384 -7.4384 -6.9444 -6.9444 -5.6160 -5.6160 -5.5308 -5.5308 -5.3993 -5.3993 -5.2968 -5.2968 -5.0131 -5.0131 -4.8732 -4.8732 -0.2379 -0.2379 -0.1364 -0.1364 1.8115 1.8115 2.7332 2.7332 5.2802 5.2802 5.3486 5.3486 6.1651 6.1651 6.4619 6.4619 6.5401 6.5401 6.9069 6.9069 7.3573 7.3573 7.5355 7.5355 8.3055 8.3055 9.0313 9.0313 k = 0.0887 0.5623 1.1535 ( 5864 PWs) bands (ev): -20.6737 -20.6737 -20.6737 -20.6737 -20.1687 -20.1687 -7.4422 -7.4422 -7.4379 -7.4379 -6.9440 -6.9440 -5.6147 -5.6147 -5.5348 -5.5348 -5.3931 -5.3931 -5.2962 -5.2962 -5.0134 -5.0134 -4.8698 -4.8698 -0.2363 -0.2363 -0.1208 -0.1208 1.8210 1.8210 2.7151 2.7151 5.2719 5.2719 5.3451 5.3451 6.1832 6.1832 6.4382 6.4382 6.5348 6.5348 6.8808 6.8808 7.3346 7.3346 7.5716 7.5716 8.3353 8.3353 8.9681 8.9681 k = 0.0806 0.5862 1.1320 ( 5862 PWs) bands (ev): -20.6738 -20.6738 -20.6738 -20.6738 -20.1688 -20.1688 -7.4418 -7.4418 -7.4375 -7.4375 -6.9436 -6.9436 -5.6130 -5.6130 -5.5390 -5.5390 -5.3867 -5.3867 -5.2960 -5.2960 -5.0137 -5.0137 -4.8665 -4.8665 -0.2349 -0.2349 -0.1058 -0.1058 1.8300 1.8300 2.6978 2.6978 5.2651 5.2651 5.3434 5.3434 6.1982 6.1982 6.4177 6.4177 6.5272 6.5272 6.8538 6.8538 7.3046 7.3046 7.6196 7.6196 8.3692 8.3692 8.9067 8.9067 k = 0.0726 0.6101 1.1104 ( 5858 PWs) bands (ev): -20.6739 -20.6739 -20.6739 -20.6739 -20.1689 -20.1689 -7.4415 -7.4415 -7.4372 -7.4372 -6.9432 -6.9432 -5.6111 -5.6111 -5.5434 -5.5434 -5.3802 -5.3802 -5.2962 -5.2962 -5.0141 -5.0141 -4.8633 -4.8633 -0.2337 -0.2337 -0.0917 -0.0917 1.8382 1.8382 2.6817 2.6817 5.2599 5.2599 5.3430 5.3430 6.2090 6.2090 6.4018 6.4018 6.5180 6.5180 6.8263 6.8263 7.2737 7.2737 7.6732 7.6732 8.4070 8.4070 8.8474 8.8474 k = 0.0645 0.6340 1.0889 ( 5854 PWs) bands (ev): -20.6741 -20.6741 -20.6741 -20.6741 -20.1690 -20.1690 -7.4412 -7.4412 -7.4368 -7.4368 -6.9429 -6.9429 -5.6089 -5.6089 -5.5479 -5.5479 -5.3737 -5.3737 -5.2969 -5.2969 -5.0144 -5.0144 -4.8603 -4.8603 -0.2326 -0.2326 -0.0786 -0.0786 1.8458 1.8458 2.6668 2.6668 5.2561 5.2561 5.3439 5.3439 6.2147 6.2147 6.3915 6.3915 6.5078 6.5078 6.7986 6.7986 7.2441 7.2441 7.7297 7.7297 8.4478 8.4478 8.7903 8.7903 k = 0.0565 0.6579 1.0674 ( 5850 PWs) bands (ev): -20.6742 -20.6742 -20.6742 -20.6742 -20.1691 -20.1691 -7.4409 -7.4409 -7.4365 -7.4365 -6.9425 -6.9425 -5.6064 -5.6064 -5.5524 -5.5524 -5.3673 -5.3673 -5.2979 -5.2979 -5.0148 -5.0148 -4.8575 -4.8575 -0.2317 -0.2317 -0.0666 -0.0666 1.8525 1.8525 2.6533 2.6533 5.2536 5.2536 5.3457 5.3457 6.2150 6.2150 6.3870 6.3870 6.4977 6.4977 6.7713 6.7713 7.2170 7.2170 7.7876 7.7876 8.4907 8.4907 8.7359 8.7359 k = 0.0484 0.6818 1.0459 ( 5854 PWs) bands (ev): -20.6743 -20.6743 -20.6743 -20.6743 -20.1692 -20.1692 -7.4406 -7.4406 -7.4363 -7.4363 -6.9423 -6.9423 -5.6037 -5.6037 -5.5569 -5.5569 -5.3612 -5.3612 -5.2993 -5.2993 -5.0151 -5.0151 -4.8550 -4.8550 -0.2309 -0.2309 -0.0559 -0.0559 1.8584 1.8584 2.6413 2.6413 5.2522 5.2522 5.3481 5.3481 6.2109 6.2109 6.3872 6.3872 6.4884 6.4884 6.7450 6.7450 7.1929 7.1929 7.8457 7.8457 8.5336 8.5336 8.6851 8.6851 k = 0.0403 0.7057 1.0244 ( 5856 PWs) bands (ev): -20.6744 -20.6744 -20.6744 -20.6744 -20.1693 -20.1693 -7.4404 -7.4404 -7.4360 -7.4360 -6.9420 -6.9420 -5.6008 -5.6008 -5.5615 -5.5615 -5.3553 -5.3553 -5.3011 -5.3011 -5.0154 -5.0154 -4.8528 -4.8528 -0.2303 -0.2303 -0.0466 -0.0466 1.8635 1.8635 2.6310 2.6310 5.2515 5.2515 5.3509 5.3509 6.2042 6.2042 6.3899 6.3899 6.4811 6.4811 6.7201 6.7201 7.1722 7.1722 7.9027 7.9027 8.5699 8.5699 8.6437 8.6437 k = 0.0323 0.7296 1.0029 ( 5854 PWs) bands (ev): -20.6744 -20.6744 -20.6744 -20.6744 -20.1694 -20.1694 -7.4402 -7.4402 -7.4359 -7.4359 -6.9418 -6.9418 -5.5976 -5.5976 -5.5659 -5.5659 -5.3499 -5.3499 -5.3031 -5.3031 -5.0156 -5.0156 -4.8510 -4.8510 -0.2298 -0.2298 -0.0388 -0.0388 1.8676 1.8676 2.6224 2.6224 5.2515 5.2515 5.3536 5.3536 6.1966 6.1966 6.3929 6.3929 6.4767 6.4767 6.6976 6.6976 7.1551 7.1551 7.9571 7.9571 8.5664 8.5664 8.6432 8.6432 k = 0.0242 0.7534 0.9814 ( 5850 PWs) bands (ev): -20.6745 -20.6745 -20.6745 -20.6745 -20.1694 -20.1694 -7.4401 -7.4401 -7.4357 -7.4357 -6.9417 -6.9417 -5.5942 -5.5942 -5.5703 -5.5703 -5.3451 -5.3451 -5.3052 -5.3052 -5.0158 -5.0158 -4.8496 -4.8496 -0.2294 -0.2294 -0.0327 -0.0327 1.8708 1.8708 2.6156 2.6156 5.2517 5.2517 5.3562 5.3562 6.1896 6.1896 6.3948 6.3948 6.4755 6.4755 6.6782 6.6782 7.1416 7.1416 8.0066 8.0066 8.5312 8.5312 8.6744 8.6744 k = 0.0161 0.7773 0.9599 ( 5848 PWs) bands (ev): -20.6745 -20.6745 -20.6745 -20.6745 -20.1695 -20.1695 -7.4400 -7.4400 -7.4356 -7.4356 -6.9416 -6.9416 -5.5907 -5.5907 -5.5746 -5.5746 -5.3412 -5.3412 -5.3072 -5.3072 -5.0159 -5.0159 -4.8485 -4.8485 -0.2291 -0.2291 -0.0282 -0.0282 1.8732 1.8732 2.6107 2.6107 5.2521 5.2521 5.3582 5.3582 6.1840 6.1840 6.3954 6.3954 6.4766 6.4766 6.6629 6.6629 7.1320 7.1320 8.0481 8.0481 8.4971 8.4971 8.7039 8.7039 k = 0.0081 0.8012 0.9384 ( 5840 PWs) bands (ev): -20.6745 -20.6745 -20.6745 -20.6745 -20.1695 -20.1695 -7.4399 -7.4399 -7.4356 -7.4356 -6.9415 -6.9415 -5.5870 -5.5870 -5.5787 -5.5787 -5.3385 -5.3385 -5.3087 -5.3087 -5.0160 -5.0160 -4.8479 -4.8479 -0.2290 -0.2290 -0.0256 -0.0256 1.8746 1.8746 2.6078 2.6078 5.2523 5.2523 5.3594 5.3594 6.1804 6.1804 6.3953 6.3953 6.4783 6.4783 6.6531 6.6531 7.1262 7.1262 8.0767 8.0767 8.4727 8.4727 8.7238 8.7238 k = 0.0000 0.8251 0.9169 ( 5846 PWs) bands (ev): -20.6746 -20.6746 -20.6745 -20.6745 -20.1695 -20.1695 -7.4399 -7.4399 -7.4355 -7.4355 -6.9415 -6.9415 -5.5841 -5.5841 -5.5818 -5.5818 -5.3376 -5.3376 -5.3092 -5.3092 -5.0160 -5.0160 -4.8476 -4.8476 -0.2289 -0.2289 -0.0247 -0.0247 1.8750 1.8750 2.6068 2.6068 5.2524 5.2524 5.3599 5.3599 6.1792 6.1792 6.3952 6.3952 6.4792 6.4792 6.6496 6.6496 7.1242 7.1242 8.0872 8.0872 8.4637 8.4637 8.7309 8.7309 k = 0.0000 0.8251 0.9169 ( 5846 PWs) bands (ev): -20.6746 -20.6746 -20.6745 -20.6745 -20.1695 -20.1695 -7.4399 -7.4399 -7.4355 -7.4355 -6.9415 -6.9415 -5.5841 -5.5841 -5.5818 -5.5818 -5.3376 -5.3376 -5.3092 -5.3092 -5.0160 -5.0160 -4.8476 -4.8476 -0.2289 -0.2289 -0.0247 -0.0247 1.8750 1.8750 2.6068 2.6068 5.2524 5.2524 5.3599 5.3599 6.1792 6.1792 6.3952 6.3952 6.4792 6.4792 6.6496 6.6496 7.1242 7.1242 8.0872 8.0872 8.4637 8.4637 8.7309 8.7309 k = 0.0291 0.8306 0.9120 ( 5845 PWs) bands (ev): -20.6748 -20.6748 -20.6743 -20.6743 -20.1695 -20.1695 -7.4399 -7.4399 -7.4355 -7.4355 -6.9415 -6.9415 -5.5842 -5.5842 -5.5817 -5.5817 -5.3375 -5.3375 -5.3094 -5.3094 -5.0160 -5.0160 -4.8476 -4.8476 -0.2289 -0.2289 -0.0249 -0.0249 1.8751 1.8751 2.6071 2.6071 5.2528 5.2528 5.3599 5.3599 6.1792 6.1792 6.3946 6.3946 6.4783 6.4783 6.6500 6.6500 7.1253 7.1253 8.0861 8.0861 8.4642 8.4642 8.7356 8.7356 k = 0.0582 0.8360 0.9071 ( 5851 PWs) bands (ev): -20.6750 -20.6750 -20.6741 -20.6741 -20.1695 -20.1695 -7.4398 -7.4398 -7.4355 -7.4355 -6.9415 -6.9415 -5.5844 -5.5844 -5.5814 -5.5814 -5.3373 -5.3373 -5.3099 -5.3099 -5.0158 -5.0158 -4.8476 -4.8476 -0.2289 -0.2289 -0.0256 -0.0256 1.8753 1.8753 2.6078 2.6078 5.2537 5.2537 5.3598 5.3598 6.1792 6.1792 6.3931 6.3931 6.4757 6.4757 6.6511 6.6511 7.1286 7.1286 8.0831 8.0831 8.4655 8.4655 8.7496 8.7496 k = 0.0873 0.8414 0.9023 ( 5848 PWs) bands (ev): -20.6753 -20.6753 -20.6738 -20.6738 -20.1695 -20.1695 -7.4398 -7.4398 -7.4355 -7.4355 -6.9414 -6.9414 -5.5847 -5.5847 -5.5809 -5.5809 -5.3369 -5.3369 -5.3106 -5.3106 -5.0155 -5.0155 -4.8476 -4.8476 -0.2289 -0.2289 -0.0267 -0.0267 1.8756 1.8756 2.6091 2.6091 5.2551 5.2551 5.3598 5.3598 6.1792 6.1792 6.3907 6.3907 6.4718 6.4718 6.6525 6.6525 7.1339 7.1339 8.0785 8.0785 8.4678 8.4678 8.7728 8.7728 k = 0.1164 0.8468 0.8974 ( 5843 PWs) bands (ev): -20.6756 -20.6756 -20.6736 -20.6736 -20.1695 -20.1695 -7.4397 -7.4397 -7.4355 -7.4355 -6.9414 -6.9414 -5.5850 -5.5850 -5.5803 -5.5803 -5.3363 -5.3363 -5.3116 -5.3116 -5.0151 -5.0151 -4.8475 -4.8475 -0.2290 -0.2290 -0.0282 -0.0282 1.8762 1.8762 2.6108 2.6108 5.2566 5.2566 5.3601 5.3601 6.1790 6.1790 6.3879 6.3879 6.4672 6.4672 6.6539 6.6539 7.1406 7.1406 8.0731 8.0731 8.4714 8.4714 8.8047 8.8047 k = 0.1455 0.8523 0.8925 ( 5846 PWs) bands (ev): -20.6758 -20.6758 -20.6734 -20.6734 -20.1696 -20.1696 -7.4398 -7.4398 -7.4353 -7.4353 -6.9414 -6.9414 -5.5853 -5.5853 -5.5797 -5.5797 -5.3357 -5.3357 -5.3128 -5.3128 -5.0146 -5.0146 -4.8475 -4.8475 -0.2291 -0.2291 -0.0301 -0.0301 1.8770 1.8770 2.6129 2.6129 5.2576 5.2576 5.3612 5.3612 6.1784 6.1784 6.3848 6.3848 6.4627 6.4627 6.6548 6.6548 7.1484 7.1484 8.0676 8.0676 8.4765 8.4765 8.8449 8.8449 k = 0.1747 0.8577 0.8876 ( 5850 PWs) bands (ev): -20.6761 -20.6761 -20.6731 -20.6731 -20.1696 -20.1696 -7.4399 -7.4399 -7.4350 -7.4350 -6.9413 -6.9413 -5.5856 -5.5856 -5.5790 -5.5790 -5.3350 -5.3350 -5.3141 -5.3141 -5.0140 -5.0140 -4.8474 -4.8474 -0.2294 -0.2294 -0.0322 -0.0322 1.8780 1.8780 2.6155 2.6155 5.2572 5.2572 5.3638 5.3638 6.1774 6.1774 6.3818 6.3818 6.4590 6.4590 6.6549 6.6549 7.1568 7.1568 8.0628 8.0628 8.4831 8.4831 8.8926 8.8926 k = 0.2038 0.8631 0.8827 ( 5849 PWs) bands (ev): -20.6764 -20.6764 -20.6729 -20.6729 -20.1696 -20.1696 -7.4402 -7.4402 -7.4345 -7.4345 -6.9412 -6.9412 -5.5859 -5.5859 -5.5783 -5.5783 -5.3343 -5.3343 -5.3154 -5.3154 -5.0135 -5.0135 -4.8474 -4.8474 -0.2300 -0.2300 -0.0346 -0.0346 1.8794 1.8794 2.6183 2.6183 5.2545 5.2545 5.3687 5.3687 6.1759 6.1759 6.3790 6.3790 6.4568 6.4568 6.6540 6.6540 7.1651 7.1651 8.0596 8.0596 8.4914 8.4914 8.9468 8.9468 k = 0.2329 0.8686 0.8778 ( 5848 PWs) bands (ev): -20.6766 -20.6766 -20.6727 -20.6727 -20.1696 -20.1696 -7.4406 -7.4406 -7.4339 -7.4339 -6.9411 -6.9411 -5.5862 -5.5862 -5.5775 -5.5775 -5.3338 -5.3338 -5.3165 -5.3165 -5.0129 -5.0129 -4.8473 -4.8473 -0.2309 -0.2309 -0.0370 -0.0370 1.8813 1.8813 2.6215 2.6215 5.2485 5.2485 5.3767 5.3767 6.1740 6.1740 6.3764 6.3764 6.4565 6.4565 6.6519 6.6519 7.1729 7.1729 8.0586 8.0586 8.5010 8.5010 9.0046 9.0046 k = 0.2620 0.8740 0.8730 ( 5848 PWs) bands (ev): -20.6769 -20.6769 -20.6725 -20.6725 -20.1696 -20.1696 -7.4411 -7.4411 -7.4332 -7.4332 -6.9410 -6.9410 -5.5865 -5.5865 -5.5768 -5.5768 -5.3335 -5.3335 -5.3172 -5.3172 -5.0124 -5.0124 -4.8473 -4.8473 -0.2321 -0.2321 -0.0396 -0.0396 1.8835 1.8835 2.6250 2.6250 5.2388 5.2388 5.3882 5.3882 6.1716 6.1716 6.3741 6.3741 6.4585 6.4585 6.6486 6.6486 7.1800 7.1800 8.0600 8.0600 8.5115 8.5115 9.0405 9.0405 k = 0.2620 0.8740 0.8730 ( 5848 PWs) bands (ev): -20.6769 -20.6769 -20.6725 -20.6725 -20.1696 -20.1696 -7.4411 -7.4411 -7.4332 -7.4332 -6.9410 -6.9410 -5.5865 -5.5865 -5.5768 -5.5768 -5.3335 -5.3335 -5.3172 -5.3172 -5.0124 -5.0124 -4.8473 -4.8473 -0.2321 -0.2321 -0.0396 -0.0396 1.8835 1.8835 2.6250 2.6250 5.2388 5.2388 5.3882 5.3882 6.1716 6.1716 6.3741 6.3741 6.4585 6.4585 6.6486 6.6486 7.1800 7.1800 8.0600 8.0600 8.5115 8.5115 9.0405 9.0405 k = 0.2688 0.8538 0.8480 ( 5842 PWs) bands (ev): -20.6783 -20.6783 -20.6714 -20.6714 -20.1698 -20.1698 -7.4437 -7.4437 -7.4289 -7.4289 -6.9403 -6.9403 -5.5876 -5.5876 -5.5724 -5.5724 -5.3343 -5.3343 -5.3186 -5.3186 -5.0094 -5.0094 -4.8472 -4.8472 -0.2429 -0.2429 -0.0549 -0.0549 1.9008 1.9008 2.6481 2.6481 5.1714 5.1714 5.4660 5.4660 6.1594 6.1594 6.3528 6.3528 6.4792 6.4792 6.6333 6.6333 7.2187 7.2187 8.0745 8.0745 8.5652 8.5652 8.9789 8.9789 k = 0.2756 0.8337 0.8231 ( 5834 PWs) bands (ev): -20.6798 -20.6798 -20.6704 -20.6704 -20.1701 -20.1701 -7.4461 -7.4461 -7.4244 -7.4244 -6.9392 -6.9392 -5.5883 -5.5883 -5.5676 -5.5676 -5.3372 -5.3372 -5.3179 -5.3179 -5.0056 -5.0056 -4.8474 -4.8474 -0.2596 -0.2596 -0.0750 -0.0750 1.9260 1.9260 2.6807 2.6807 5.1011 5.1011 5.5508 5.5508 6.1480 6.1480 6.3178 6.3178 6.5024 6.5024 6.6273 6.6273 7.2669 7.2669 8.0888 8.0888 8.6171 8.6171 8.9198 8.9198 k = 0.2824 0.8135 0.7981 ( 5844 PWs) bands (ev): -20.6814 -20.6814 -20.6695 -20.6695 -20.1704 -20.1704 -7.4481 -7.4481 -7.4195 -7.4195 -6.9378 -6.9378 -5.5883 -5.5883 -5.5623 -5.5623 -5.3413 -5.3413 -5.3159 -5.3159 -5.0012 -5.0012 -4.8476 -4.8476 -0.2818 -0.2818 -0.0993 -0.0993 1.9586 1.9586 2.7224 2.7224 5.0333 5.0333 5.6376 5.6376 6.1377 6.1377 6.2752 6.2752 6.5177 6.5177 6.6370 6.6370 7.3225 7.3225 8.1025 8.1025 8.6658 8.6658 8.8657 8.8657 k = 0.2892 0.7934 0.7732 ( 5844 PWs) bands (ev): -20.6830 -20.6830 -20.6687 -20.6687 -20.1708 -20.1708 -7.4499 -7.4499 -7.4143 -7.4143 -6.9361 -6.9361 -5.5876 -5.5876 -5.5566 -5.5566 -5.3456 -5.3456 -5.3134 -5.3134 -4.9962 -4.9962 -4.8480 -4.8480 -0.3087 -0.3087 -0.1276 -0.1276 1.9976 1.9976 2.7727 2.7727 4.9690 4.9690 5.7250 5.7250 6.1283 6.1283 6.2279 6.2279 6.5209 6.5209 6.6651 6.6651 7.3837 7.3837 8.1149 8.1149 8.7075 8.7075 8.8205 8.8205 k = 0.2960 0.7732 0.7482 ( 5846 PWs) bands (ev): -20.6847 -20.6847 -20.6679 -20.6679 -20.1712 -20.1712 -7.4514 -7.4514 -7.4089 -7.4089 -6.9340 -6.9340 -5.5862 -5.5862 -5.5508 -5.5508 -5.3498 -5.3498 -5.3107 -5.3107 -4.9906 -4.9906 -4.8486 -4.8486 -0.3396 -0.3396 -0.1592 -0.1592 2.0420 2.0420 2.8312 2.8312 4.9092 4.9092 5.8123 5.8123 6.1200 6.1200 6.1778 6.1778 6.5167 6.5167 6.7063 6.7063 7.4494 7.4494 8.1249 8.1249 8.7269 8.7269 8.8003 8.8003 k = 0.3028 0.7531 0.7233 ( 5854 PWs) bands (ev): -20.6864 -20.6864 -20.6673 -20.6673 -20.1718 -20.1718 -7.4526 -7.4526 -7.4032 -7.4032 -6.9317 -6.9317 -5.5842 -5.5842 -5.5448 -5.5448 -5.3537 -5.3537 -5.3079 -5.3079 -4.9844 -4.9844 -4.8493 -4.8493 -0.3740 -0.3740 -0.1937 -0.1937 2.0907 2.0907 2.8974 2.8974 4.8544 4.8544 5.8985 5.8985 6.1126 6.1126 6.1262 6.1262 6.5098 6.5098 6.7556 6.7556 7.5186 7.5186 8.1316 8.1316 8.7090 8.7090 8.8205 8.8205 k = 0.3096 0.7329 0.6984 ( 5854 PWs) bands (ev): -20.6882 -20.6882 -20.6667 -20.6667 -20.1723 -20.1723 -7.4536 -7.4536 -7.3973 -7.3973 -6.9291 -6.9291 -5.5815 -5.5815 -5.5390 -5.5390 -5.3569 -5.3569 -5.3052 -5.3052 -4.9776 -4.9776 -4.8502 -4.8502 -0.4110 -0.4110 -0.2306 -0.2306 2.1426 2.1426 2.9707 2.9707 4.8053 4.8053 5.9821 5.9821 6.0730 6.0730 6.1082 6.1082 6.5025 6.5025 6.8105 6.8105 7.5906 7.5906 8.1337 8.1337 8.6839 8.6839 8.8521 8.8521 k = 0.3164 0.7128 0.6734 ( 5860 PWs) bands (ev): -20.6900 -20.6900 -20.6662 -20.6662 -20.1730 -20.1730 -7.4544 -7.4544 -7.3912 -7.3912 -6.9263 -6.9263 -5.5781 -5.5781 -5.5334 -5.5334 -5.3592 -5.3592 -5.3025 -5.3025 -4.9703 -4.9703 -4.8512 -4.8512 -0.4502 -0.4502 -0.2694 -0.2694 2.1964 2.1964 3.0507 3.0507 4.7624 4.7624 6.0170 6.0170 6.0596 6.0596 6.1113 6.1113 6.4956 6.4956 6.8699 6.8699 7.6648 7.6648 8.1303 8.1303 8.6644 8.6644 8.8833 8.8833 k = 0.3232 0.6926 0.6485 ( 5860 PWs) bands (ev): -20.6918 -20.6918 -20.6658 -20.6658 -20.1737 -20.1737 -7.4549 -7.4549 -7.3849 -7.3849 -6.9233 -6.9233 -5.5741 -5.5741 -5.5282 -5.5282 -5.3606 -5.3606 -5.2999 -5.2999 -4.9626 -4.9626 -4.8523 -4.8523 -0.4908 -0.4908 -0.3097 -0.3097 2.2511 2.2511 3.1368 3.1368 4.7264 4.7264 5.9648 5.9648 6.0841 6.0841 6.1619 6.1619 6.4897 6.4897 6.9332 6.9332 7.7406 7.7406 8.1209 8.1209 8.6527 8.6527 8.9126 8.9126 k = 0.3300 0.6725 0.6235 ( 5850 PWs) bands (ev): -20.6937 -20.6937 -20.6655 -20.6655 -20.1744 -20.1744 -7.4553 -7.4553 -7.3786 -7.3786 -6.9201 -6.9201 -5.5695 -5.5695 -5.5237 -5.5237 -5.3607 -5.3607 -5.2974 -5.2974 -4.9544 -4.9544 -4.8535 -4.8535 -0.5325 -0.5325 -0.3511 -0.3511 2.3055 2.3055 3.2286 3.2286 4.6982 4.6982 5.9118 5.9118 6.0832 6.0832 6.2362 6.2362 6.4852 6.4852 7.0002 7.0002 7.8177 7.8177 8.1058 8.1058 8.6485 8.6485 8.9400 8.9400 k = 0.3368 0.6523 0.5986 ( 5842 PWs) bands (ev): -20.6955 -20.6955 -20.6652 -20.6652 -20.1752 -20.1752 -7.4555 -7.4555 -7.3721 -7.3721 -6.9168 -6.9168 -5.5643 -5.5643 -5.5200 -5.5200 -5.3593 -5.3593 -5.2951 -5.2951 -4.9459 -4.9459 -4.8549 -4.8549 -0.5747 -0.5747 -0.3930 -0.3930 2.3583 2.3583 3.3257 3.3257 4.6783 4.6783 5.8595 5.8595 6.0801 6.0801 6.3087 6.3087 6.4828 6.4828 7.0706 7.0706 7.8956 7.8956 8.0857 8.0857 8.6504 8.6504 8.9663 8.9663 k = 0.3436 0.6322 0.5737 ( 5842 PWs) bands (ev): -20.6974 -20.6974 -20.6650 -20.6650 -20.1760 -20.1760 -7.4555 -7.4555 -7.3656 -7.3656 -6.9134 -6.9134 -5.5586 -5.5586 -5.5171 -5.5171 -5.3564 -5.3564 -5.2929 -5.2929 -4.9370 -4.9370 -4.8563 -4.8563 -0.6171 -0.6171 -0.4353 -0.4353 2.4086 2.4086 3.4277 3.4277 4.6677 4.6677 5.8080 5.8080 6.0767 6.0767 6.3738 6.3738 6.4852 6.4852 7.1444 7.1444 7.9738 7.9738 8.0616 8.0616 8.6560 8.6560 8.9924 8.9924 k = 0.3504 0.6120 0.5487 ( 5838 PWs) bands (ev): -20.6993 -20.6993 -20.6648 -20.6648 -20.1769 -20.1769 -7.4554 -7.4554 -7.3591 -7.3591 -6.9098 -6.9098 -5.5526 -5.5526 -5.5151 -5.5151 -5.3520 -5.3520 -5.2910 -5.2910 -4.9279 -4.9279 -4.8577 -4.8577 -0.6594 -0.6594 -0.4776 -0.4776 2.4552 2.4552 3.5340 3.5340 4.6669 4.6669 5.7578 5.7578 6.0735 6.0735 6.4214 6.4214 6.5013 6.5013 7.2215 7.2215 8.0344 8.0344 8.0517 8.0517 8.6623 8.6623 9.0192 9.0192 k = 0.3572 0.5919 0.5238 ( 5844 PWs) bands (ev): -20.7012 -20.7012 -20.6647 -20.6647 -20.1777 -20.1777 -7.4552 -7.4552 -7.3526 -7.3526 -6.9062 -6.9062 -5.5464 -5.5464 -5.5138 -5.5138 -5.3461 -5.3461 -5.2891 -5.2891 -4.9187 -4.9187 -4.8590 -4.8590 -0.7012 -0.7012 -0.5196 -0.5196 2.4973 2.4973 3.6444 3.6444 4.6765 4.6765 5.7091 5.7091 6.0704 6.0704 6.4406 6.4406 6.5412 6.5412 7.3016 7.3016 8.0049 8.0049 8.1288 8.1288 8.6659 8.6659 9.0473 9.0473 k = 0.3640 0.5717 0.4988 ( 5850 PWs) bands (ev): -20.7030 -20.7030 -20.6647 -20.6647 -20.1786 -20.1786 -7.4549 -7.4549 -7.3461 -7.3461 -6.9026 -6.9026 -5.5405 -5.5405 -5.5126 -5.5126 -5.3389 -5.3389 -5.2875 -5.2875 -4.9095 -4.9095 -4.8601 -4.8601 -0.7422 -0.7422 -0.5611 -0.5611 2.5342 2.5342 3.7584 3.7584 4.6971 4.6971 5.6622 5.6622 6.0675 6.0675 6.4450 6.4450 6.5906 6.5906 7.3847 7.3847 7.9736 7.9736 8.2043 8.2043 8.6626 8.6626 9.0774 9.0774 k = 0.3708 0.5516 0.4739 ( 5858 PWs) bands (ev): -20.7048 -20.7048 -20.6647 -20.6647 -20.1795 -20.1795 -7.4545 -7.4545 -7.3397 -7.3397 -6.8990 -6.8990 -5.5356 -5.5356 -5.5108 -5.5108 -5.3306 -5.3306 -5.2859 -5.2859 -4.9007 -4.9007 -4.8607 -4.8607 -0.7823 -0.7823 -0.6017 -0.6017 2.5655 2.5655 3.8756 3.8756 4.7287 4.7287 5.6174 5.6174 6.0647 6.0647 6.4452 6.4452 6.6384 6.6384 7.4707 7.4707 7.9405 7.9405 8.2773 8.2773 8.6485 8.6485 9.1101 9.1101 k = 0.3776 0.5314 0.4489 ( 5864 PWs) bands (ev): -20.7066 -20.7066 -20.6648 -20.6648 -20.1804 -20.1804 -7.4541 -7.4541 -7.3335 -7.3335 -6.8955 -6.8955 -5.5327 -5.5327 -5.5072 -5.5072 -5.3215 -5.3215 -5.2843 -5.2843 -4.8930 -4.8930 -4.8602 -4.8602 -0.8213 -0.8213 -0.6414 -0.6414 2.5909 2.5909 3.9954 3.9954 4.7714 4.7714 5.5752 5.5752 6.0620 6.0620 6.4442 6.4442 6.6813 6.6813 7.5594 7.5594 7.9058 7.9058 8.3467 8.3467 8.6202 8.6202 9.1457 9.1457 k = 0.3844 0.5113 0.4240 ( 5870 PWs) bands (ev): -20.7084 -20.7084 -20.6648 -20.6648 -20.1813 -20.1813 -7.4536 -7.4536 -7.3274 -7.3274 -6.8920 -6.8920 -5.5321 -5.5321 -5.5014 -5.5014 -5.3122 -5.3122 -5.2824 -5.2824 -4.8873 -4.8873 -4.8577 -4.8577 -0.8590 -0.8590 -0.6799 -0.6799 2.6105 2.6105 4.1173 4.1173 4.8248 4.8248 5.5360 5.5360 6.0594 6.0594 6.4426 6.4426 6.7185 6.7185 7.6506 7.6506 7.8692 7.8692 8.4111 8.4111 8.5768 8.5768 9.1846 9.1846 k = 0.3912 0.4911 0.3991 ( 5870 PWs) bands (ev): -20.7101 -20.7101 -20.6650 -20.6650 -20.1822 -20.1822 -7.4531 -7.4531 -7.3215 -7.3215 -6.8885 -6.8885 -5.5333 -5.5333 -5.4940 -5.4940 -5.3037 -5.3037 -5.2794 -5.2794 -4.8844 -4.8844 -4.8524 -4.8524 -0.8952 -0.8952 -0.7170 -0.7170 2.6246 2.6246 4.2402 4.2402 4.8885 4.8885 5.5007 5.5007 6.0568 6.0568 6.4408 6.4408 6.7497 6.7497 7.7440 7.7440 7.8308 7.8308 8.4676 8.4676 8.5210 8.5210 9.2267 9.2267 k = 0.3980 0.4710 0.3741 ( 5868 PWs) bands (ev): -20.7117 -20.7117 -20.6651 -20.6651 -20.1830 -20.1830 -7.4526 -7.4526 -7.3158 -7.3158 -6.8852 -6.8852 -5.5355 -5.5355 -5.4856 -5.4856 -5.2974 -5.2974 -5.2741 -5.2741 -4.8839 -4.8839 -4.8448 -4.8448 -0.9297 -0.9297 -0.7527 -0.7527 2.6337 2.6337 4.3633 4.3633 4.9617 4.9617 5.4703 5.4703 6.0543 6.0543 6.4389 6.4389 6.7751 6.7751 7.7891 7.7891 7.8406 7.8406 8.4483 8.4483 8.5224 8.5224 9.2720 9.2720 k = 0.4048 0.4508 0.3492 ( 5850 PWs) bands (ev): -20.7133 -20.7133 -20.6653 -20.6653 -20.1839 -20.1839 -7.4521 -7.4521 -7.3104 -7.3104 -6.8820 -6.8820 -5.5382 -5.5382 -5.4767 -5.4767 -5.2940 -5.2940 -5.2659 -5.2659 -4.8848 -4.8848 -4.8361 -4.8361 -0.9626 -0.9626 -0.7867 -0.7867 2.6384 2.6384 4.4846 4.4846 5.0435 5.0435 5.4463 5.4463 6.0518 6.0518 6.4369 6.4369 6.7951 6.7951 7.7469 7.7469 7.9375 7.9375 8.3737 8.3737 8.5620 8.5620 9.3189 9.3189 k = 0.4116 0.4307 0.3242 ( 5842 PWs) bands (ev): -20.7148 -20.7148 -20.6654 -20.6654 -20.1847 -20.1847 -7.4516 -7.4516 -7.3052 -7.3052 -6.8790 -6.8790 -5.5411 -5.5411 -5.4674 -5.4674 -5.2928 -5.2928 -5.2558 -5.2558 -4.8863 -4.8863 -4.8269 -4.8269 -0.9936 -0.9936 -0.8189 -0.8189 2.6394 2.6394 4.6015 4.6015 5.1330 5.1330 5.4314 5.4314 6.0494 6.0494 6.4350 6.4350 6.8101 6.8101 7.7026 7.7026 8.0356 8.0356 8.2943 8.2943 8.5917 8.5917 9.3495 9.3495 k = 0.4184 0.4105 0.2993 ( 5842 PWs) bands (ev): -20.7162 -20.7162 -20.6656 -20.6656 -20.1855 -20.1855 -7.4512 -7.4512 -7.3003 -7.3003 -6.8761 -6.8761 -5.5442 -5.5442 -5.4580 -5.4580 -5.2928 -5.2928 -5.2449 -5.2449 -4.8883 -4.8883 -4.8177 -4.8177 -1.0227 -1.0227 -0.8492 -0.8492 2.6373 2.6373 4.7101 4.7101 5.2290 5.2290 5.4295 5.4295 6.0470 6.0470 6.4330 6.4330 6.8208 6.8208 7.6567 7.6567 8.1305 8.1305 8.2167 8.2167 8.6097 8.6097 9.2575 9.2575 k = 0.4252 0.3904 0.2744 ( 5842 PWs) bands (ev): -20.7176 -20.7176 -20.6658 -20.6658 -20.1862 -20.1862 -7.4507 -7.4507 -7.2958 -7.2958 -6.8734 -6.8734 -5.5472 -5.5472 -5.4486 -5.4486 -5.2935 -5.2935 -5.2338 -5.2338 -4.8905 -4.8905 -4.8086 -4.8086 -1.0497 -1.0497 -0.8775 -0.8775 2.6330 2.6330 4.8045 4.8045 5.3300 5.3300 5.4464 5.4464 6.0448 6.0448 6.4311 6.4311 6.8277 6.8277 7.6094 7.6094 8.1202 8.1202 8.2440 8.2440 8.6153 8.6153 9.1212 9.1212 k = 0.4320 0.3702 0.2494 ( 5830 PWs) bands (ev): -20.7188 -20.7188 -20.6660 -20.6660 -20.1869 -20.1869 -7.4503 -7.4503 -7.2915 -7.2915 -6.8709 -6.8709 -5.5501 -5.5501 -5.4393 -5.4393 -5.2948 -5.2948 -5.2228 -5.2228 -4.8928 -4.8928 -4.7998 -4.7998 -1.0747 -1.0747 -0.9037 -0.9037 2.6270 2.6270 4.8783 4.8783 5.4335 5.4335 5.4899 5.4899 6.0428 6.0428 6.4292 6.4292 6.8314 6.8314 7.5608 7.5608 8.0403 8.0403 8.3415 8.3415 8.6070 8.6070 8.9798 8.9798 k = 0.4388 0.3501 0.2245 ( 5834 PWs) bands (ev): -20.7200 -20.7200 -20.6662 -20.6662 -20.1876 -20.1876 -7.4499 -7.4499 -7.2877 -7.2877 -6.8687 -6.8687 -5.5529 -5.5529 -5.4301 -5.4301 -5.2964 -5.2964 -5.2122 -5.2122 -4.8951 -4.8951 -4.7915 -4.7915 -1.0975 -1.0975 -0.9277 -0.9277 2.6199 2.6199 4.9284 4.9284 5.5326 5.5326 5.5684 5.5684 6.0412 6.0412 6.4275 6.4275 6.8324 6.8324 7.5110 7.5110 7.9602 7.9602 8.4402 8.4402 8.5791 8.5791 8.8462 8.8462 k = 0.4456 0.3299 0.1995 ( 5826 PWs) bands (ev): -20.7210 -20.7210 -20.6664 -20.6664 -20.1882 -20.1882 -7.4495 -7.4495 -7.2841 -7.2841 -6.8666 -6.8666 -5.5555 -5.5555 -5.4213 -5.4213 -5.2984 -5.2984 -5.2022 -5.2022 -4.8974 -4.8974 -4.7838 -4.7838 -1.1180 -1.1180 -0.9494 -0.9494 2.6122 2.6122 4.9571 4.9571 5.6309 5.6309 5.6739 5.6739 6.0401 6.0401 6.4258 6.4258 6.8310 6.8310 7.4595 7.4595 7.8833 7.8833 8.5149 8.5149 8.5371 8.5371 8.7417 8.7417 k = 0.4524 0.3098 0.1746 ( 5822 PWs) bands (ev): -20.7219 -20.7219 -20.6665 -20.6665 -20.1887 -20.1887 -7.4492 -7.4492 -7.2810 -7.2810 -6.8647 -6.8647 -5.5579 -5.5579 -5.4128 -5.4128 -5.3007 -5.3007 -5.1930 -5.1930 -4.8997 -4.8997 -4.7768 -4.7768 -1.1363 -1.1363 -0.9687 -0.9687 2.6044 2.6044 4.9705 4.9705 5.7385 5.7385 5.7875 5.7875 6.0401 6.0401 6.4244 6.4244 6.8273 6.8273 7.4059 7.4059 7.8115 7.8115 8.4041 8.4041 8.6306 8.6306 8.6811 8.6811 k = 0.4592 0.2896 0.1496 ( 5826 PWs) bands (ev): -20.7227 -20.7227 -20.6667 -20.6667 -20.1892 -20.1892 -7.4489 -7.4489 -7.2783 -7.2783 -6.8631 -6.8631 -5.5600 -5.5600 -5.4048 -5.4048 -5.3032 -5.3032 -5.1846 -5.1846 -4.9018 -4.9018 -4.7705 -4.7705 -1.1522 -1.1522 -0.9857 -0.9857 2.5970 2.5970 4.9748 4.9748 5.8508 5.8508 5.9031 5.9031 6.0432 6.0432 6.4232 6.4232 6.8214 6.8214 7.3496 7.3496 7.7469 7.7469 8.2681 8.2681 8.6473 8.6473 8.7190 8.7190 k = 0.4660 0.2695 0.1247 ( 5830 PWs) bands (ev): -20.7234 -20.7234 -20.6668 -20.6668 -20.1896 -20.1896 -7.4487 -7.4487 -7.2760 -7.2760 -6.8618 -6.8618 -5.5618 -5.5618 -5.3975 -5.3975 -5.3058 -5.3058 -5.1773 -5.1773 -4.9036 -4.9036 -4.7651 -4.7651 -1.1658 -1.1658 -1.0001 -1.0001 2.5901 2.5901 4.9742 4.9742 5.9536 5.9536 6.0158 6.0158 6.0605 6.0605 6.4223 6.4223 6.8127 6.8127 7.2911 7.2911 7.6912 7.6912 8.1269 8.1269 8.6245 8.6245 8.8000 8.8000 k = 0.4728 0.2493 0.0998 ( 5830 PWs) bands (ev): -20.7240 -20.7240 -20.6669 -20.6669 -20.1899 -20.1899 -7.4485 -7.4485 -7.2740 -7.2740 -6.8606 -6.8606 -5.5633 -5.5633 -5.3910 -5.3910 -5.3084 -5.3084 -5.1711 -5.1711 -4.9053 -4.9053 -4.7605 -4.7605 -1.1769 -1.1769 -1.0119 -1.0119 2.5842 2.5842 4.9713 4.9713 6.0047 6.0047 6.1106 6.1106 6.1409 6.1409 6.4219 6.4219 6.8005 6.8005 7.2318 7.2318 7.6455 7.6455 7.9908 7.9908 8.6073 8.6073 8.8713 8.8713 k = 0.4796 0.2292 0.0748 ( 5834 PWs) bands (ev): -20.7245 -20.7245 -20.6670 -20.6670 -20.1902 -20.1902 -7.4483 -7.4483 -7.2725 -7.2725 -6.8598 -6.8598 -5.5645 -5.5645 -5.3855 -5.3855 -5.3109 -5.3109 -5.1661 -5.1661 -4.9066 -4.9066 -4.7570 -4.7570 -1.1856 -1.1856 -1.0212 -1.0212 2.5793 2.5793 4.9679 4.9679 6.0151 6.0151 6.2075 6.2075 6.2432 6.2432 6.4224 6.4224 6.7834 6.7834 7.1757 7.1757 7.6105 7.6105 7.8676 7.8676 8.5943 8.5943 8.9304 8.9304 k = 0.4864 0.2090 0.0499 ( 5840 PWs) bands (ev): -20.7248 -20.7248 -20.6671 -20.6671 -20.1904 -20.1904 -7.4482 -7.4482 -7.2715 -7.2715 -6.8591 -6.8591 -5.5653 -5.5653 -5.3812 -5.3812 -5.3129 -5.3129 -5.1625 -5.1625 -4.9076 -4.9076 -4.7544 -4.7544 -1.1918 -1.1918 -1.0278 -1.0278 2.5757 2.5757 4.9649 4.9649 6.0178 6.0178 6.2955 6.2955 6.3297 6.3297 6.4254 6.4254 6.7610 6.7610 7.1287 7.1287 7.5860 7.5860 7.7663 7.7663 8.5850 8.5850 8.9748 8.9748 k = 0.4932 0.1889 0.0249 ( 5844 PWs) bands (ev): -20.7250 -20.7250 -20.6671 -20.6671 -20.1905 -20.1905 -7.4481 -7.4481 -7.2708 -7.2708 -6.8587 -6.8587 -5.5658 -5.5658 -5.3785 -5.3785 -5.3143 -5.3143 -5.1604 -5.1604 -4.9082 -4.9082 -4.7528 -4.7528 -1.1955 -1.1955 -1.0318 -1.0318 2.5735 2.5735 4.9629 4.9629 6.0186 6.0186 6.3577 6.3577 6.3862 6.3862 6.4342 6.4342 6.7376 6.7376 7.0974 7.0974 7.5716 7.5716 7.6979 7.6979 8.5794 8.5794 9.0024 9.0024 k = 0.5000 0.1687-0.0000 ( 5838 PWs) bands (ev): -20.7250 -20.7250 -20.6671 -20.6671 -20.1905 -20.1905 -7.4481 -7.4481 -7.2706 -7.2706 -6.8586 -6.8586 -5.5660 -5.5660 -5.3776 -5.3776 -5.3148 -5.3148 -5.1596 -5.1596 -4.9085 -4.9085 -4.7523 -4.7523 -1.1968 -1.1968 -1.0332 -1.0332 2.5728 2.5728 4.9622 4.9622 6.0189 6.0189 6.3778 6.3778 6.4057 6.4057 6.4425 6.4425 6.7265 6.7265 7.0865 7.0865 7.5669 7.5669 7.6735 7.6735 8.5776 8.5776 9.0118 9.0118 k = 0.5000 0.1687-0.0000 ( 5838 PWs) bands (ev): -20.7250 -20.7250 -20.6671 -20.6671 -20.1905 -20.1905 -7.4481 -7.4481 -7.2706 -7.2706 -6.8586 -6.8586 -5.5660 -5.5660 -5.3776 -5.3776 -5.3148 -5.3148 -5.1596 -5.1596 -4.9085 -4.9085 -4.7523 -4.7523 -1.1968 -1.1968 -1.0332 -1.0332 2.5728 2.5728 4.9622 4.9622 6.0189 6.0189 6.3778 6.3778 6.4057 6.4057 6.4425 6.4425 6.7265 6.7265 7.0865 7.0865 7.5669 7.5669 7.6735 7.6735 8.5776 8.5776 9.0118 9.0118 k = 0.4688 0.1582-0.0000 ( 5842 PWs) bands (ev): -20.7250 -20.7250 -20.6671 -20.6671 -20.1905 -20.1905 -7.4480 -7.4480 -7.2707 -7.2707 -6.8586 -6.8586 -5.5659 -5.5659 -5.3776 -5.3776 -5.3151 -5.3151 -5.1598 -5.1598 -4.9081 -4.9081 -4.7522 -4.7522 -1.2007 -1.2007 -1.0292 -1.0292 2.5731 2.5731 4.9608 4.9608 6.0196 6.0196 6.3753 6.3753 6.4071 6.4071 6.4430 6.4430 6.7220 6.7220 7.0852 7.0852 7.5536 7.5536 7.7000 7.7000 8.5741 8.5741 9.0124 9.0124 k = 0.4375 0.1477-0.0000 ( 5846 PWs) bands (ev): -20.7251 -20.7251 -20.6671 -20.6671 -20.1905 -20.1905 -7.4478 -7.4478 -7.2711 -7.2711 -6.8584 -6.8584 -5.5655 -5.5655 -5.3775 -5.3775 -5.3159 -5.3159 -5.1603 -5.1603 -4.9070 -4.9070 -4.7519 -4.7519 -1.2115 -1.2115 -1.0184 -1.0184 2.5741 2.5741 4.9567 4.9567 6.0217 6.0217 6.3691 6.3691 6.4095 6.4095 6.4448 6.4448 6.7087 6.7087 7.0820 7.0820 7.5348 7.5348 7.7573 7.7573 8.5642 8.5642 9.0142 9.0142 k = 0.4062 0.1371-0.0000 ( 5854 PWs) bands (ev): -20.7251 -20.7251 -20.6671 -20.6671 -20.1905 -20.1905 -7.4474 -7.4474 -7.2718 -7.2718 -6.8582 -6.8582 -5.5649 -5.5649 -5.3775 -5.3775 -5.3174 -5.3174 -5.1612 -5.1612 -4.9053 -4.9053 -4.7514 -4.7514 -1.2267 -1.2267 -1.0031 -1.0031 2.5757 2.5757 4.9502 4.9502 6.0253 6.0253 6.3613 6.3613 6.4101 6.4101 6.4485 6.4485 6.6864 6.6864 7.0786 7.0786 7.5263 7.5263 7.8264 7.8264 8.5499 8.5499 9.0173 9.0173 k = 0.3750 0.1266-0.0000 ( 5842 PWs) bands (ev): -20.7251 -20.7251 -20.6670 -20.6670 -20.1905 -20.1905 -7.4469 -7.4469 -7.2726 -7.2726 -6.8579 -6.8579 -5.5641 -5.5641 -5.3775 -5.3775 -5.3194 -5.3194 -5.1623 -5.1623 -4.9030 -4.9030 -4.7508 -4.7508 -1.2445 -1.2445 -0.9852 -0.9852 2.5779 2.5779 4.9416 4.9416 6.0302 6.0302 6.3530 6.3530 6.4081 6.4081 6.4541 6.4541 6.6558 6.6558 7.0771 7.0771 7.5308 7.5308 7.8991 7.8991 8.5344 8.5344 9.0216 9.0216 k = 0.3438 0.1160-0.0000 ( 5845 PWs) bands (ev): -20.7252 -20.7252 -20.6670 -20.6670 -20.1905 -20.1905 -7.4462 -7.4462 -7.2737 -7.2737 -6.8575 -6.8575 -5.5631 -5.5631 -5.3773 -5.3773 -5.3220 -5.3220 -5.1636 -5.1636 -4.9004 -4.9004 -4.7500 -4.7500 -1.2632 -1.2632 -0.9663 -0.9663 2.5806 2.5806 4.9313 4.9313 6.0365 6.0365 6.3445 6.3445 6.4037 6.4037 6.4607 6.4607 6.6186 6.6186 7.0789 7.0789 7.5470 7.5470 7.9687 7.9687 8.5230 8.5230 9.0271 9.0271 k = 0.3125 0.1055-0.0000 ( 5841 PWs) bands (ev): -20.7252 -20.7252 -20.6669 -20.6669 -20.1905 -20.1905 -7.4454 -7.4454 -7.2749 -7.2749 -6.8571 -6.8571 -5.5619 -5.5619 -5.3771 -5.3771 -5.3250 -5.3250 -5.1649 -5.1649 -4.8974 -4.8974 -4.7491 -4.7491 -1.2821 -1.2821 -0.9473 -0.9473 2.5836 2.5836 4.9199 4.9199 6.0438 6.0438 6.3360 6.3360 6.3976 6.3976 6.4672 6.4672 6.5772 6.5772 7.0848 7.0848 7.5726 7.5726 8.0273 8.0273 8.5234 8.5234 9.0340 9.0340 k = 0.2812 0.0949-0.0000 ( 5849 PWs) bands (ev): -20.7253 -20.7253 -20.6669 -20.6669 -20.1906 -20.1906 -7.4446 -7.4446 -7.2762 -7.2762 -6.8566 -6.8566 -5.5607 -5.5607 -5.3768 -5.3768 -5.3284 -5.3284 -5.1663 -5.1663 -4.8943 -4.8943 -4.7480 -4.7480 -1.3004 -1.3004 -0.9288 -0.9288 2.5869 2.5869 4.9079 4.9079 6.0523 6.0523 6.3275 6.3275 6.3902 6.3902 6.4716 6.4716 6.5359 6.5359 7.0945 7.0945 7.6050 7.6050 8.0668 8.0668 8.5440 8.5440 9.0421 9.0421 k = 0.2500 0.0844-0.0000 ( 5857 PWs) bands (ev): -20.7253 -20.7253 -20.6668 -20.6668 -20.1906 -20.1906 -7.4437 -7.4437 -7.2775 -7.2775 -6.8561 -6.8561 -5.5593 -5.5593 -5.3763 -5.3763 -5.3321 -5.3321 -5.1676 -5.1676 -4.8911 -4.8911 -4.7469 -4.7469 -1.3178 -1.3178 -0.9113 -0.9113 2.5904 2.5904 4.8958 4.8958 6.0616 6.0616 6.3192 6.3192 6.3821 6.3821 6.4640 6.4640 6.5061 6.5061 7.1076 7.1076 7.6415 7.6415 8.0832 8.0832 8.5891 8.5891 9.0514 9.0514 k = 0.2188 0.0738-0.0000 ( 5857 PWs) bands (ev): -20.7254 -20.7254 -20.6667 -20.6667 -20.1906 -20.1906 -7.4428 -7.4428 -7.2789 -7.2789 -6.8556 -6.8556 -5.5579 -5.5579 -5.3757 -5.3757 -5.3360 -5.3360 -5.1688 -5.1688 -4.8881 -4.8881 -4.7458 -4.7458 -1.3337 -1.3337 -0.8952 -0.8952 2.5938 2.5938 4.8840 4.8840 6.0716 6.0716 6.3110 6.3110 6.3736 6.3736 6.4325 6.4325 6.5014 6.5014 7.1231 7.1231 7.6792 7.6792 8.0805 8.0805 8.6556 8.6556 9.0617 9.0617 k = 0.1875 0.0633-0.0000 ( 5855 PWs) bands (ev): -20.7255 -20.7255 -20.6667 -20.6667 -20.1906 -20.1906 -7.4419 -7.4419 -7.2803 -7.2803 -6.8552 -6.8552 -5.5565 -5.5565 -5.3748 -5.3748 -5.3401 -5.3401 -5.1699 -5.1699 -4.8853 -4.8853 -4.7447 -4.7447 -1.3481 -1.3481 -0.8807 -0.8807 2.5971 2.5971 4.8731 4.8731 6.0820 6.0820 6.3028 6.3028 6.3651 6.3651 6.3955 6.3955 6.5051 6.5051 7.1403 7.1403 7.7152 7.7152 8.0671 8.0671 8.7357 8.7357 9.0728 9.0728 k = 0.1562 0.0527-0.0000 ( 5859 PWs) bands (ev): -20.7255 -20.7255 -20.6666 -20.6666 -20.1906 -20.1906 -7.4411 -7.4411 -7.2815 -7.2815 -6.8547 -6.8547 -5.5553 -5.5553 -5.3736 -5.3736 -5.3443 -5.3443 -5.1708 -5.1708 -4.8828 -4.8828 -4.7436 -4.7436 -1.3605 -1.3605 -0.8680 -0.8680 2.6001 2.6001 4.8633 4.8633 6.0925 6.0925 6.2946 6.2946 6.3545 6.3545 6.3638 6.3638 6.5098 6.5098 7.1580 7.1580 7.7464 7.7464 8.0508 8.0508 8.8224 8.8224 9.0842 9.0842 k = 0.1250 0.0422-0.0000 ( 5859 PWs) bands (ev): -20.7255 -20.7255 -20.6666 -20.6666 -20.1906 -20.1906 -7.4404 -7.4404 -7.2826 -7.2826 -6.8544 -6.8544 -5.5541 -5.5541 -5.3722 -5.3722 -5.3484 -5.3484 -5.1716 -5.1716 -4.8806 -4.8806 -4.7426 -4.7426 -1.3710 -1.3710 -0.8574 -0.8574 2.6028 2.6028 4.8549 4.8549 6.1026 6.1026 6.2867 6.2867 6.3294 6.3294 6.3523 6.3523 6.5141 6.5141 7.1752 7.1752 7.7700 7.7700 8.0373 8.0373 8.9101 8.9101 9.0955 9.0955 k = 0.0938 0.0316-0.0000 ( 5869 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4398 -7.4398 -7.2835 -7.2835 -6.8541 -6.8541 -5.5532 -5.5532 -5.3704 -5.3704 -5.3524 -5.3524 -5.1722 -5.1722 -4.8789 -4.8789 -4.7418 -4.7418 -1.3793 -1.3793 -0.8491 -0.8491 2.6050 2.6050 4.8482 4.8482 6.1117 6.1117 6.2794 6.2794 6.3057 6.3057 6.3465 6.3465 6.5177 6.5177 7.1906 7.1906 7.7844 7.7844 8.0296 8.0296 8.9935 8.9935 9.1058 9.1058 k = 0.0625 0.0211-0.0000 ( 5845 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4393 -7.4393 -7.2842 -7.2842 -6.8538 -6.8538 -5.5525 -5.5525 -5.3683 -5.3683 -5.3562 -5.3562 -5.1726 -5.1726 -4.8777 -4.8777 -4.7412 -4.7412 -1.3852 -1.3852 -0.8430 -0.8430 2.6066 2.6066 4.8433 4.8433 6.1191 6.1191 6.2735 6.2735 6.2881 6.2881 6.3424 6.3424 6.5204 6.5204 7.2030 7.2030 7.7908 7.7908 8.0274 8.0274 9.0662 9.0662 9.1141 9.1141 k = 0.0312 0.0105-0.0000 ( 5841 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4390 -7.4390 -7.2846 -7.2846 -6.8537 -6.8537 -5.5520 -5.5520 -5.3658 -5.3658 -5.3597 -5.3597 -5.1728 -5.1728 -4.8769 -4.8769 -4.7409 -4.7409 -1.3889 -1.3889 -0.8393 -0.8393 2.6076 2.6076 4.8403 4.8403 6.1240 6.1240 6.2700 6.2700 6.2768 6.2768 6.3399 6.3399 6.5220 6.5220 7.2109 7.2109 7.7925 7.7925 8.0280 8.0280 9.1185 9.1185 9.1202 9.1202 k = 0.0000 0.0000 0.0000 ( 5837 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4389 -7.4389 -7.2848 -7.2848 -6.8537 -6.8537 -5.5519 -5.5519 -5.3633 -5.3633 -5.3625 -5.3625 -5.1729 -5.1729 -4.8766 -4.8766 -4.7407 -4.7407 -1.3901 -1.3901 -0.8381 -0.8381 2.6080 2.6080 4.8394 4.8394 6.1257 6.1257 6.2695 6.2695 6.2723 6.2723 6.3391 6.3391 6.5226 6.5226 7.2137 7.2137 7.7926 7.7926 8.0286 8.0286 9.1216 9.1216 9.1391 9.1391 k = 0.0000 0.0000 0.0000 ( 5837 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4389 -7.4389 -7.2848 -7.2848 -6.8537 -6.8537 -5.5519 -5.5519 -5.3633 -5.3633 -5.3625 -5.3625 -5.1729 -5.1729 -4.8766 -4.8766 -4.7407 -4.7407 -1.3901 -1.3901 -0.8381 -0.8381 2.6080 2.6080 4.8394 4.8394 6.1257 6.1257 6.2695 6.2695 6.2723 6.2723 6.3391 6.3391 6.5226 6.5226 7.2137 7.2137 7.7926 7.7926 8.0286 8.0286 9.1216 9.1216 9.1391 9.1391 k = 0.0081-0.0239 0.0215 ( 5835 PWs) bands (ev): -20.7256 -20.7256 -20.6665 -20.6665 -20.1906 -20.1906 -7.4389 -7.4389 -7.2850 -7.2850 -6.8537 -6.8537 -5.5520 -5.5520 -5.3694 -5.3694 -5.3563 -5.3563 -5.1733 -5.1733 -4.8769 -4.8769 -4.7408 -4.7408 -1.3885 -1.3885 -0.8379 -0.8379 2.6096 2.6096 4.8392 4.8392 6.1259 6.1259 6.2088 6.2088 6.2989 6.2989 6.3681 6.3681 6.5223 6.5223 7.2148 7.2148 7.7931 7.7931 8.0334 8.0334 9.0515 9.0515 9.2100 9.2100 k = 0.0162-0.0479 0.0431 ( 5847 PWs) bands (ev): -20.7254 -20.7254 -20.6666 -20.6666 -20.1906 -20.1906 -7.4389 -7.4389 -7.2855 -7.2855 -6.8540 -6.8540 -5.5524 -5.5524 -5.3759 -5.3759 -5.3498 -5.3498 -5.1743 -5.1743 -4.8778 -4.8778 -4.7409 -4.7409 -1.3837 -1.3837 -0.8372 -0.8372 2.6144 2.6144 4.8387 4.8387 6.1263 6.1263 6.1369 6.1369 6.2997 6.2997 6.4239 6.4239 6.5216 6.5216 7.2180 7.2180 7.7938 7.7938 8.0479 8.0479 8.9752 8.9752 9.2853 9.2853 k = 0.0242-0.0718 0.0646 ( 5855 PWs) bands (ev): -20.7252 -20.7252 -20.6667 -20.6667 -20.1905 -20.1905 -7.4389 -7.4389 -7.2865 -7.2865 -6.8545 -6.8545 -5.5532 -5.5532 -5.3822 -5.3822 -5.3433 -5.3433 -5.1760 -5.1760 -4.8793 -4.8793 -4.7412 -4.7412 -1.3758 -1.3758 -0.8362 -0.8362 2.6224 2.6224 4.8380 4.8380 6.0600 6.0600 6.1275 6.1275 6.2940 6.2940 6.4799 6.4799 6.5214 6.5214 7.2234 7.2234 7.7936 7.7936 8.0728 8.0728 8.9013 8.9013 9.2434 9.2434 k = 0.0323-0.0957 0.0861 ( 5851 PWs) bands (ev): -20.7249 -20.7249 -20.6669 -20.6669 -20.1905 -20.1905 -7.4389 -7.4389 -7.2878 -7.2878 -6.8552 -6.8552 -5.5542 -5.5542 -5.3884 -5.3884 -5.3369 -5.3369 -5.1783 -5.1783 -4.8813 -4.8813 -4.7416 -4.7416 -1.3648 -1.3648 -0.8348 -0.8348 2.6336 2.6336 4.8371 4.8371 5.9807 5.9807 6.1283 6.1283 6.2851 6.2851 6.5122 6.5122 6.5417 6.5417 7.2308 7.2308 7.7907 7.7907 8.1084 8.1084 8.8308 8.8308 9.1425 9.1425 k = 0.0404-0.1196 0.1077 ( 5865 PWs) bands (ev): -20.7245 -20.7245 -20.6672 -20.6672 -20.1904 -20.1904 -7.4389 -7.4389 -7.2895 -7.2895 -6.8561 -6.8561 -5.5555 -5.5555 -5.3945 -5.3945 -5.3307 -5.3307 -5.1811 -5.1811 -4.8838 -4.8838 -4.7420 -4.7420 -1.3509 -1.3509 -0.8330 -0.8330 2.6478 2.6478 4.8363 4.8363 5.8993 5.8993 6.1285 6.1285 6.2737 6.2737 6.5117 6.5117 6.5910 6.5910 7.2403 7.2403 7.7836 7.7836 8.1545 8.1545 8.7645 8.7645 9.0437 9.0437 k = 0.0485-0.1436 0.1292 ( 5857 PWs) bands (ev): -20.7240 -20.7240 -20.6675 -20.6675 -20.1903 -20.1903 -7.4388 -7.4388 -7.2916 -7.2916 -6.8571 -6.8571 -5.5570 -5.5570 -5.4003 -5.4003 -5.3246 -5.3246 -5.1845 -5.1845 -4.8869 -4.8869 -4.7424 -4.7424 -1.3343 -1.3343 -0.8308 -0.8308 2.6649 2.6649 4.8356 4.8356 5.8167 5.8167 6.1276 6.1276 6.2600 6.2600 6.5082 6.5082 6.6397 6.6397 7.2518 7.2518 7.7710 7.7710 8.2102 8.2102 8.7030 8.7030 8.9499 8.9499 k = 0.0565-0.1675 0.1507 ( 5849 PWs) bands (ev): -20.7234 -20.7234 -20.6679 -20.6679 -20.1902 -20.1902 -7.4388 -7.4388 -7.2940 -7.2940 -6.8583 -6.8583 -5.5588 -5.5588 -5.4060 -5.4060 -5.3188 -5.3188 -5.1883 -5.1883 -4.8904 -4.8904 -4.7429 -4.7429 -1.3150 -1.3150 -0.8283 -0.8283 2.6850 2.6850 4.8353 4.8353 5.7335 5.7335 6.1250 6.1250 6.2443 6.2443 6.5036 6.5036 6.6861 6.6861 7.2654 7.2654 7.7519 7.7519 8.2742 8.2742 8.6473 8.6473 8.8634 8.8634 k = 0.0646-0.1914 0.1723 ( 5851 PWs) bands (ev): -20.7227 -20.7227 -20.6683 -20.6683 -20.1901 -20.1901 -7.4387 -7.4387 -7.2967 -7.2967 -6.8597 -6.8597 -5.5608 -5.5608 -5.4115 -5.4115 -5.3133 -5.3133 -5.1924 -5.1924 -4.8943 -4.8943 -4.7434 -4.7434 -1.2933 -1.2933 -0.8255 -0.8255 2.7078 2.7078 4.8356 4.8356 5.6502 5.6502 6.1201 6.1201 6.2270 6.2270 6.4981 6.4981 6.7306 6.7306 7.2810 7.2810 7.7253 7.7253 8.3449 8.3449 8.5979 8.5979 8.7862 8.7862 k = 0.0727-0.2153 0.1938 ( 5847 PWs) bands (ev): -20.7220 -20.7220 -20.6688 -20.6688 -20.1899 -20.1899 -7.4385 -7.4385 -7.2998 -7.2998 -6.8612 -6.8612 -5.5630 -5.5630 -5.4170 -5.4170 -5.3080 -5.3080 -5.1967 -5.1967 -4.8987 -4.8987 -4.7439 -4.7439 -1.2694 -1.2694 -0.8224 -0.8224 2.7331 2.7331 4.8367 4.8367 5.5676 5.5676 6.1122 6.1122 6.2082 6.2082 6.4917 6.4917 6.7733 6.7733 7.2988 7.2988 7.6901 7.6901 8.4196 8.4196 8.5559 8.5559 8.7209 8.7209 k = 0.0808-0.2393 0.2153 ( 5853 PWs) bands (ev): -20.7212 -20.7212 -20.6694 -20.6694 -20.1898 -20.1898 -7.4383 -7.4383 -7.3032 -7.3032 -6.8628 -6.8628 -5.5654 -5.5654 -5.4223 -5.4223 -5.3030 -5.3030 -5.2012 -5.2012 -4.9034 -4.9034 -4.7443 -4.7443 -1.2435 -1.2435 -0.8191 -0.8191 2.7609 2.7609 4.8387 4.8387 5.4860 5.4860 6.1008 6.1008 6.1883 6.1883 6.4844 6.4844 6.8145 6.8145 7.3188 7.3188 7.6460 7.6460 8.4887 8.4887 8.5269 8.5269 8.6722 8.6722 k = 0.0888-0.2632 0.2369 ( 5843 PWs) bands (ev): -20.7203 -20.7203 -20.6700 -20.6700 -20.1896 -20.1896 -7.4380 -7.4380 -7.3068 -7.3068 -6.8645 -6.8645 -5.5678 -5.5678 -5.4276 -5.4276 -5.2983 -5.2983 -5.2057 -5.2057 -4.9083 -4.9083 -4.7447 -4.7447 -1.2160 -1.2160 -0.8156 -0.8156 2.7909 2.7909 4.8419 4.8419 5.4060 5.4060 6.0854 6.0854 6.1674 6.1674 6.4763 6.4763 6.8545 6.8545 7.3411 7.3411 7.5930 7.5930 8.4869 8.4869 8.5558 8.5558 8.6600 8.6600 k = 0.0969-0.2871 0.2584 ( 5841 PWs) bands (ev): -20.7193 -20.7193 -20.6706 -20.6706 -20.1895 -20.1895 -7.4376 -7.4376 -7.3108 -7.3108 -6.8663 -6.8663 -5.5703 -5.5703 -5.4329 -5.4329 -5.2939 -5.2939 -5.2101 -5.2101 -4.9135 -4.9135 -4.7451 -4.7451 -1.1871 -1.1871 -0.8119 -0.8119 2.8228 2.8228 4.8463 4.8463 5.3280 5.3280 6.0655 6.0655 6.1459 6.1459 6.4672 6.4672 6.8931 6.8931 7.3658 7.3658 7.5318 7.5318 8.4679 8.4679 8.5564 8.5564 8.7161 8.7161 k = 0.1050-0.3111 0.2799 ( 5833 PWs) bands (ev): -20.7182 -20.7182 -20.6713 -20.6713 -20.1893 -20.1893 -7.4372 -7.4372 -7.3150 -7.3150 -6.8682 -6.8682 -5.5728 -5.5728 -5.4383 -5.4383 -5.2899 -5.2899 -5.2144 -5.2144 -4.9189 -4.9189 -4.7454 -4.7454 -1.1571 -1.1571 -0.8082 -0.8082 2.8566 2.8566 4.8521 4.8521 5.2525 5.2525 6.0412 6.0412 6.1239 6.1239 6.4574 6.4574 6.9305 6.9305 7.3925 7.3925 7.4643 7.4643 8.4552 8.4552 8.5429 8.5429 8.8012 8.8012 k = 0.1131-0.3350 0.3015 ( 5833 PWs) bands (ev): -20.7171 -20.7171 -20.6721 -20.6721 -20.1891 -20.1891 -7.4366 -7.4366 -7.3194 -7.3194 -6.8701 -6.8701 -5.5752 -5.5752 -5.4439 -5.4439 -5.2860 -5.2860 -5.2184 -5.2184 -4.9244 -4.9244 -4.7456 -4.7456 -1.1262 -1.1262 -0.8043 -0.8043 2.8918 2.8918 4.8593 4.8593 5.1798 5.1798 6.0122 6.0122 6.1018 6.1018 6.4467 6.4467 6.9664 6.9664 7.3867 7.3867 7.4264 7.4264 8.4492 8.4492 8.5342 8.5342 8.8935 8.8935 k = 0.1211-0.3589 0.3230 ( 5823 PWs) bands (ev): -20.7160 -20.7160 -20.6729 -20.6729 -20.1890 -20.1890 -7.4359 -7.4359 -7.3241 -7.3241 -6.8721 -6.8721 -5.5775 -5.5775 -5.4497 -5.4497 -5.2824 -5.2824 -5.2222 -5.2222 -4.9299 -4.9299 -4.7458 -4.7458 -1.0948 -1.0948 -0.8004 -0.8004 2.9282 2.9282 4.8678 4.8678 5.1105 5.1105 5.9788 5.9788 6.0800 6.0800 6.4354 6.4354 7.0007 7.0007 7.3113 7.3113 7.4572 7.4572 8.4498 8.4498 8.5328 8.5328 8.9888 8.9888 k = 0.1292-0.3828 0.3445 ( 5821 PWs) bands (ev): -20.7148 -20.7148 -20.6738 -20.6738 -20.1888 -20.1888 -7.4351 -7.4351 -7.3289 -7.3289 -6.8740 -6.8740 -5.5796 -5.5796 -5.4557 -5.4557 -5.2790 -5.2790 -5.2256 -5.2256 -4.9354 -4.9354 -4.7459 -4.7459 -1.0633 -1.0633 -0.7965 -0.7965 2.9656 2.9656 4.8775 4.8775 5.0451 5.0451 5.9413 5.9413 6.0586 6.0586 6.4236 6.4236 7.0327 7.0327 7.2326 7.2326 7.4921 7.4921 8.4564 8.4564 8.5384 8.5384 9.0854 9.0854 k = 0.1373-0.4068 0.3661 ( 5819 PWs) bands (ev): -20.7135 -20.7135 -20.6748 -20.6748 -20.1886 -20.1886 -7.4341 -7.4341 -7.3339 -7.3339 -6.8760 -6.8760 -5.5814 -5.5814 -5.4620 -5.4620 -5.2757 -5.2757 -5.2288 -5.2288 -4.9409 -4.9409 -4.7461 -4.7461 -1.0318 -1.0318 -0.7926 -0.7926 3.0034 3.0034 4.8871 4.8871 4.9849 4.9849 5.9002 5.9002 6.0379 6.0379 6.4112 6.4112 7.0607 7.0607 7.1552 7.1552 7.5294 7.5294 8.4683 8.4683 8.5501 8.5501 9.1819 9.1819 k = 0.1454-0.4307 0.3876 ( 5813 PWs) bands (ev): -20.7122 -20.7122 -20.6757 -20.6757 -20.1884 -20.1884 -7.4329 -7.4329 -7.3390 -7.3390 -6.8779 -6.8779 -5.5829 -5.5829 -5.4685 -5.4685 -5.2725 -5.2725 -5.2318 -5.2318 -4.9463 -4.9463 -4.7461 -4.7461 -1.0008 -1.0008 -0.7888 -0.7888 3.0415 3.0415 4.8898 4.8898 4.9371 4.9371 5.8564 5.8564 6.0181 6.0181 6.3985 6.3985 7.0573 7.0573 7.1073 7.1073 7.5686 7.5686 8.4850 8.4850 8.5671 8.5671 9.2762 9.2762 k = 0.1534-0.4546 0.4091 ( 5813 PWs) bands (ev): -20.7108 -20.7108 -20.6768 -20.6768 -20.1883 -20.1883 -7.4316 -7.4316 -7.3442 -7.3442 -6.8798 -6.8798 -5.5841 -5.5841 -5.4752 -5.4752 -5.2692 -5.2692 -5.2345 -5.2345 -4.9515 -4.9515 -4.7462 -4.7462 -0.9705 -0.9705 -0.7852 -0.7852 3.0792 3.0792 4.8588 4.8588 4.9283 4.9283 5.8108 5.8108 5.9995 5.9995 6.3855 6.3855 6.9882 6.9882 7.1243 7.1243 7.6094 7.6094 8.5058 8.5058 8.5886 8.5886 9.3569 9.3569 k = 0.1615-0.4786 0.4307 ( 5797 PWs) bands (ev): -20.7094 -20.7094 -20.6779 -20.6779 -20.1881 -20.1881 -7.4300 -7.4300 -7.3495 -7.3495 -6.8817 -6.8817 -5.5848 -5.5848 -5.4821 -5.4821 -5.2659 -5.2659 -5.2371 -5.2371 -4.9566 -4.9566 -4.7462 -4.7462 -0.9412 -0.9412 -0.7817 -0.7817 3.1164 3.1164 4.8136 4.8136 4.9391 4.9391 5.7643 5.7643 5.9821 5.9821 6.3724 6.3724 6.9141 6.9141 7.1461 7.1461 7.6512 7.6512 8.5301 8.5301 8.6136 8.6136 9.3627 9.3627 k = 0.1696-0.5025 0.4522 ( 5801 PWs) bands (ev): -20.7080 -20.7080 -20.6790 -20.6790 -20.1880 -20.1880 -7.4283 -7.4283 -7.3548 -7.3548 -6.8834 -6.8834 -5.5852 -5.5852 -5.4892 -5.4892 -5.2626 -5.2626 -5.2396 -5.2396 -4.9614 -4.9614 -4.7462 -4.7462 -0.9133 -0.9133 -0.7785 -0.7785 3.1523 3.1523 4.7705 4.7705 4.9528 4.9528 5.7181 5.7181 5.9662 5.9662 6.3593 6.3593 6.8425 6.8425 7.1659 7.1659 7.6936 7.6936 8.5572 8.5572 8.6411 8.6411 9.3286 9.3286 k = 0.1777-0.5264 0.4737 ( 5817 PWs) bands (ev): -20.7065 -20.7065 -20.6802 -20.6802 -20.1878 -20.1878 -7.4263 -7.4263 -7.3602 -7.3602 -6.8850 -6.8850 -5.5851 -5.5851 -5.4963 -5.4963 -5.2592 -5.2592 -5.2420 -5.2420 -4.9659 -4.9659 -4.7462 -4.7462 -0.8869 -0.8869 -0.7755 -0.7755 3.1867 3.1867 4.7320 4.7320 4.9663 4.9663 5.6737 5.6737 5.9518 5.9518 6.3464 6.3464 6.7749 6.7749 7.1829 7.1829 7.7360 7.7360 8.5867 8.5867 8.6701 8.6701 9.2936 9.2936 k = 0.1857-0.5503 0.4952 ( 5817 PWs) bands (ev): -20.7050 -20.7050 -20.6814 -20.6814 -20.1877 -20.1877 -7.4241 -7.4241 -7.3655 -7.3655 -6.8865 -6.8865 -5.5845 -5.5845 -5.5034 -5.5034 -5.2557 -5.2557 -5.2444 -5.2444 -4.9701 -4.9701 -4.7462 -4.7462 -0.8624 -0.8624 -0.7728 -0.7728 3.2188 3.2188 4.6987 4.6987 4.9783 4.9783 5.6327 5.6327 5.9391 5.9391 6.3337 6.3337 6.7121 6.7121 7.1968 7.1968 7.7779 7.7779 8.6178 8.6178 8.6993 8.6993 9.2615 9.2615 k = 0.1938-0.5743 0.5168 ( 5815 PWs) bands (ev): -20.7036 -20.7036 -20.6827 -20.6827 -20.1876 -20.1876 -7.4216 -7.4216 -7.3708 -7.3708 -6.8879 -6.8879 -5.5833 -5.5833 -5.5105 -5.5105 -5.2524 -5.2524 -5.2464 -5.2464 -4.9740 -4.9740 -4.7463 -4.7463 -0.8400 -0.8400 -0.7704 -0.7704 3.2483 3.2483 4.6710 4.6710 4.9873 4.9873 5.5968 5.5968 5.9281 5.9281 6.3214 6.3214 6.6549 6.6549 7.2076 7.2076 7.8188 7.8188 8.6501 8.6501 8.7272 8.7272 9.2330 9.2330 k = 0.2019-0.5982 0.5383 ( 5813 PWs) bands (ev): -20.7020 -20.7020 -20.6840 -20.6840 -20.1875 -20.1875 -7.4189 -7.4189 -7.3760 -7.3760 -6.8892 -6.8892 -5.5817 -5.5817 -5.5175 -5.5175 -5.2513 -5.2513 -5.2462 -5.2462 -4.9775 -4.9775 -4.7463 -4.7463 -0.8199 -0.8199 -0.7685 -0.7685 3.2746 3.2746 4.6491 4.6491 4.9918 4.9918 5.5679 5.5679 5.9190 5.9190 6.3096 6.3096 6.6037 6.6037 7.2154 7.2154 7.8583 7.8583 8.6829 8.6829 8.7521 8.7521 9.2085 9.2085 k = 0.2100-0.6221 0.5598 ( 5815 PWs) bands (ev): -20.7005 -20.7005 -20.6853 -20.6853 -20.1874 -20.1874 -7.4160 -7.4160 -7.3811 -7.3811 -6.8902 -6.8902 -5.5795 -5.5795 -5.5242 -5.5242 -5.2533 -5.2533 -5.2430 -5.2430 -4.9807 -4.9807 -4.7464 -4.7464 -0.8024 -0.8024 -0.7669 -0.7669 3.2972 3.2972 4.6333 4.6333 4.9901 4.9901 5.5480 5.5480 5.9117 5.9117 6.2984 6.2984 6.5593 6.5593 7.2201 7.2201 7.8959 7.8959 8.7157 8.7157 8.7719 8.7719 9.1879 9.1879 k = 0.2180-0.6460 0.5814 ( 5819 PWs) bands (ev): -20.6990 -20.6990 -20.6867 -20.6867 -20.1873 -20.1873 -7.4128 -7.4128 -7.3861 -7.3861 -6.8912 -6.8912 -5.5768 -5.5768 -5.5308 -5.5308 -5.2559 -5.2559 -5.2392 -5.2392 -4.9834 -4.9834 -4.7465 -4.7465 -0.7875 -0.7875 -0.7657 -0.7657 3.3156 3.3156 4.6236 4.6236 4.9814 4.9814 5.5382 5.5382 5.9065 5.9065 6.2880 6.2880 6.5220 6.5220 7.2221 7.2221 7.9314 7.9314 8.7479 8.7479 8.7848 8.7848 9.1712 9.1712 k = 0.2261-0.6700 0.6029 ( 5817 PWs) bands (ev): -20.6975 -20.6975 -20.6881 -20.6881 -20.1872 -20.1872 -7.4094 -7.4094 -7.3909 -7.3909 -6.8919 -6.8919 -5.5736 -5.5736 -5.5370 -5.5370 -5.2587 -5.2587 -5.2351 -5.2351 -4.9857 -4.9857 -4.7467 -4.7467 -0.7758 -0.7758 -0.7648 -0.7648 3.3295 3.3295 4.6202 4.6202 4.9655 4.9655 5.5389 5.5389 5.9032 5.9032 6.2784 6.2784 6.4924 6.4924 7.2213 7.2213 7.9644 7.9644 8.7789 8.7789 8.7886 8.7886 9.1584 9.1584 k = 0.2342-0.6939 0.6244 ( 5817 PWs) bands (ev): -20.6960 -20.6960 -20.6895 -20.6895 -20.1872 -20.1872 -7.4058 -7.4058 -7.3955 -7.3955 -6.8924 -6.8924 -5.5699 -5.5699 -5.5429 -5.5429 -5.2616 -5.2616 -5.2311 -5.2311 -4.9875 -4.9875 -4.7469 -4.7469 -0.7689 -0.7689 -0.7623 -0.7623 3.3384 3.3384 4.6231 4.6231 4.9433 4.9433 5.5494 5.5494 5.9020 5.9020 6.2698 6.2698 6.4705 6.4705 7.2181 7.2181 7.9949 7.9949 8.7820 8.7820 8.8079 8.8079 9.1491 9.1491 k = 0.2423-0.7178 0.6460 ( 5813 PWs) bands (ev): -20.6945 -20.6945 -20.6910 -20.6910 -20.1871 -20.1871 -7.4025 -7.4025 -7.3993 -7.3993 -6.8928 -6.8928 -5.5658 -5.5658 -5.5483 -5.5483 -5.2647 -5.2647 -5.2270 -5.2270 -4.9888 -4.9888 -4.7472 -4.7472 -0.7680 -0.7680 -0.7575 -0.7575 3.3424 3.3424 4.6322 4.6322 4.9163 4.9163 5.5684 5.5684 5.9028 5.9028 6.2621 6.2621 6.4568 6.4568 7.2127 7.2127 8.0227 8.0227 8.7645 8.7645 8.8342 8.8342 9.1420 9.1420 k = 0.2503-0.7418 0.6675 ( 5815 PWs) bands (ev): -20.6930 -20.6930 -20.6925 -20.6925 -20.1871 -20.1871 -7.4048 -7.4048 -7.3971 -7.3971 -6.8930 -6.8930 -5.5615 -5.5615 -5.5530 -5.5530 -5.2678 -5.2678 -5.2230 -5.2230 -4.9897 -4.9897 -4.7475 -4.7475 -0.7692 -0.7692 -0.7541 -0.7541 3.3412 3.3412 4.6475 4.6475 4.8862 4.8862 5.5942 5.5942 5.9056 5.9056 6.2556 6.2556 6.4513 6.4513 7.2053 7.2053 8.0479 8.0479 8.7367 8.7367 8.8571 8.8571 9.1311 9.1311 k = 0.2584-0.7657 0.6890 ( 5823 PWs) bands (ev): -20.6940 -20.6940 -20.6915 -20.6915 -20.1871 -20.1871 -7.4088 -7.4088 -7.3928 -7.3928 -6.8930 -6.8930 -5.5601 -5.5601 -5.5539 -5.5539 -5.2709 -5.2709 -5.2191 -5.2191 -4.9900 -4.9900 -4.7479 -4.7479 -0.7714 -0.7714 -0.7534 -0.7534 3.3349 3.3349 4.6686 4.6686 4.8544 4.8544 5.6253 5.6253 5.9105 5.9105 6.2503 6.2503 6.4539 6.4539 7.1961 7.1961 8.0705 8.0705 8.7003 8.7003 8.8754 8.8754 9.1009 9.1009 k = 0.2665-0.7896 0.7106 ( 5827 PWs) bands (ev): -20.6955 -20.6955 -20.6900 -20.6900 -20.1872 -20.1872 -7.4126 -7.4126 -7.3882 -7.3882 -6.8928 -6.8928 -5.5634 -5.5634 -5.5492 -5.5492 -5.2741 -5.2741 -5.2153 -5.2153 -4.9899 -4.9899 -4.7484 -4.7484 -0.7745 -0.7745 -0.7553 -0.7553 3.3237 3.3237 4.6956 4.6956 4.8224 4.8224 5.6604 5.6604 5.9173 5.9173 6.2461 6.2461 6.4645 6.4645 7.1853 7.1853 8.0907 8.0907 8.6574 8.6574 8.8884 8.8884 9.0574 9.0574 k = 0.2665-0.7896 0.7106 ( 5827 PWs) bands (ev): -20.6955 -20.6955 -20.6900 -20.6900 -20.1872 -20.1872 -7.4126 -7.4126 -7.3882 -7.3882 -6.8928 -6.8928 -5.5634 -5.5634 -5.5492 -5.5492 -5.2741 -5.2741 -5.2153 -5.2153 -4.9899 -4.9899 -4.7484 -4.7484 -0.7745 -0.7745 -0.7553 -0.7553 3.3237 3.3237 4.6956 4.6956 4.8224 4.8224 5.6604 5.6604 5.9173 5.9173 6.2461 6.2461 6.4645 6.4645 7.1853 7.1853 8.0907 8.0907 8.6574 8.6574 8.8884 8.8884 9.0574 9.0574 k = 0.2924-0.7748 0.7057 ( 5817 PWs) bands (ev): -20.6951 -20.6951 -20.6904 -20.6904 -20.1872 -20.1872 -7.4117 -7.4117 -7.3893 -7.3893 -6.8928 -6.8928 -5.5626 -5.5626 -5.5504 -5.5504 -5.2733 -5.2733 -5.2162 -5.2162 -4.9900 -4.9900 -4.7483 -4.7483 -0.7737 -0.7737 -0.7546 -0.7546 3.3269 3.3269 4.6776 4.6776 4.8440 4.8440 5.6473 5.6473 5.9155 5.9155 6.2471 6.2471 6.4622 6.4622 7.1890 7.1890 8.0854 8.0854 8.6689 8.6689 8.8856 8.8856 9.0645 9.0645 k = 0.3184-0.7600 0.7008 ( 5814 PWs) bands (ev): -20.6948 -20.6948 -20.6907 -20.6907 -20.1872 -20.1872 -7.4108 -7.4108 -7.3905 -7.3905 -6.8929 -6.8929 -5.5619 -5.5619 -5.5515 -5.5515 -5.2724 -5.2724 -5.2173 -5.2173 -4.9900 -4.9900 -4.7481 -4.7481 -0.7729 -0.7729 -0.7542 -0.7542 3.3303 3.3303 4.6483 4.6483 4.8835 4.8835 5.6253 5.6253 5.9135 5.9135 6.2484 6.2484 6.4615 6.4615 7.1945 7.1945 8.0786 8.0786 8.6826 8.6826 8.8817 8.8817 9.0638 9.0638 k = 0.3443-0.7452 0.6959 ( 5815 PWs) bands (ev): -20.6945 -20.6945 -20.6910 -20.6910 -20.1872 -20.1872 -7.4098 -7.4098 -7.3917 -7.3917 -6.8929 -6.8929 -5.5612 -5.5612 -5.5525 -5.5525 -5.2714 -5.2714 -5.2185 -5.2185 -4.9900 -4.9900 -4.7480 -4.7480 -0.7721 -0.7721 -0.7540 -0.7540 3.3337 3.3337 4.6175 4.6175 4.9309 4.9309 5.5952 5.5952 5.9116 5.9116 6.2499 6.2499 6.4622 6.4622 7.2013 7.2013 8.0710 8.0710 8.6982 8.6982 8.8769 8.8769 9.0558 9.0558 k = 0.3703-0.7304 0.6910 ( 5816 PWs) bands (ev): -20.6942 -20.6942 -20.6913 -20.6913 -20.1871 -20.1871 -7.4087 -7.4087 -7.3929 -7.3929 -6.8929 -6.8929 -5.5605 -5.5605 -5.5534 -5.5534 -5.2703 -5.2703 -5.2197 -5.2197 -4.9899 -4.9899 -4.7479 -4.7479 -0.7713 -0.7713 -0.7539 -0.7539 3.3371 3.3371 4.5890 4.5890 4.9824 4.9824 5.5582 5.5582 5.9098 5.9098 6.2514 6.2514 6.4638 6.4638 7.2088 7.2088 8.0634 8.0634 8.7154 8.7154 8.8711 8.8711 9.0424 9.0424 k = 0.3962-0.7156 0.6862 ( 5815 PWs) bands (ev): -20.6939 -20.6939 -20.6915 -20.6915 -20.1871 -20.1871 -7.4076 -7.4076 -7.3941 -7.3941 -6.8929 -6.8929 -5.5599 -5.5599 -5.5543 -5.5543 -5.2693 -5.2693 -5.2209 -5.2209 -4.9899 -4.9899 -4.7478 -4.7478 -0.7707 -0.7707 -0.7539 -0.7539 3.3402 3.3402 4.5644 4.5644 5.0360 5.0360 5.5158 5.5158 5.9083 5.9083 6.2528 6.2528 6.4658 6.4658 7.2162 7.2162 8.0564 8.0564 8.7338 8.7338 8.8642 8.8642 9.0261 9.0261 k = 0.4222-0.7008 0.6813 ( 5814 PWs) bands (ev): -20.6936 -20.6936 -20.6918 -20.6918 -20.1871 -20.1871 -7.4066 -7.4066 -7.3952 -7.3952 -6.8930 -6.8930 -5.5593 -5.5593 -5.5551 -5.5551 -5.2685 -5.2685 -5.2219 -5.2219 -4.9898 -4.9898 -4.7477 -4.7477 -0.7701 -0.7701 -0.7539 -0.7539 3.3428 3.3428 4.5446 4.5446 5.0900 5.0900 5.4700 5.4700 5.9069 5.9069 6.2541 6.2541 6.4677 6.4677 7.2229 7.2229 8.0504 8.0504 8.7531 8.7531 8.8559 8.8559 9.0094 9.0094 k = 0.4481-0.6860 0.6764 ( 5807 PWs) bands (ev): -20.6934 -20.6934 -20.6921 -20.6921 -20.1871 -20.1871 -7.4057 -7.4057 -7.3962 -7.3962 -6.8930 -6.8930 -5.5586 -5.5586 -5.5559 -5.5559 -5.2677 -5.2677 -5.2228 -5.2228 -4.9898 -4.9898 -4.7476 -4.7476 -0.7696 -0.7696 -0.7540 -0.7540 3.3448 3.3448 4.5301 4.5301 5.1421 5.1421 5.4235 5.4235 5.9060 5.9060 6.2550 6.2550 6.4693 6.4693 7.2281 7.2281 8.0459 8.0459 8.7722 8.7722 8.8460 8.8460 8.9951 8.9951 k = 0.4741-0.6712 0.6715 ( 5802 PWs) bands (ev): -20.6931 -20.6931 -20.6923 -20.6923 -20.1871 -20.1871 -7.4050 -7.4050 -7.3969 -7.3969 -6.8930 -6.8930 -5.5580 -5.5580 -5.5566 -5.5566 -5.2673 -5.2673 -5.2233 -5.2233 -4.9897 -4.9897 -4.7475 -4.7475 -0.7693 -0.7693 -0.7541 -0.7541 3.3461 3.3461 4.5212 4.5212 5.1862 5.1862 5.3826 5.3826 5.9054 5.9054 6.2556 6.2556 6.4703 6.4703 7.2315 7.2315 8.0431 8.0431 8.7896 8.7896 8.8348 8.8348 8.9855 8.9855 k = 0.5000-0.6564 0.6666 ( 5806 PWs) bands (ev): -20.6930 -20.6930 -20.6924 -20.6924 -20.1871 -20.1871 -7.4047 -7.4047 -7.3972 -7.3972 -6.8930 -6.8930 -5.5574 -5.5574 -5.5572 -5.5572 -5.2671 -5.2671 -5.2235 -5.2235 -4.9897 -4.9897 -4.7475 -4.7475 -0.7692 -0.7692 -0.7541 -0.7541 3.3465 3.3465 4.5182 4.5182 5.2062 5.2062 5.3637 5.3637 5.9052 5.9052 6.2558 6.2558 6.4707 6.4707 7.2326 7.2326 8.0421 8.0421 8.7987 8.7987 8.8279 8.8279 8.9821 8.9821 k = 0.5000-0.6564 0.6666 ( 5806 PWs) bands (ev): -20.6930 -20.6930 -20.6924 -20.6924 -20.1871 -20.1871 -7.4047 -7.4047 -7.3972 -7.3972 -6.8930 -6.8930 -5.5574 -5.5574 -5.5572 -5.5572 -5.2671 -5.2671 -5.2235 -5.2235 -4.9897 -4.9897 -4.7475 -4.7475 -0.7692 -0.7692 -0.7541 -0.7541 3.3465 3.3465 4.5182 4.5182 5.2062 5.2062 5.3637 5.3637 5.9052 5.9052 6.2558 6.2558 6.4707 6.4707 7.2326 7.2326 8.0421 8.0421 8.7987 8.7987 8.8279 8.8279 8.9821 8.9821 k = 0.4932-0.6364 0.6914 ( 5804 PWs) bands (ev): -20.6930 -20.6930 -20.6924 -20.6924 -20.1871 -20.1871 -7.4048 -7.4048 -7.3973 -7.3973 -6.8931 -6.8931 -5.5611 -5.5611 -5.5534 -5.5534 -5.2679 -5.2679 -5.2235 -5.2235 -4.9897 -4.9897 -4.7480 -4.7480 -0.7686 -0.7686 -0.7535 -0.7535 3.3436 3.3436 4.5193 4.5193 5.2027 5.2027 5.3656 5.3656 5.9016 5.9016 6.2523 6.2523 6.4733 6.4733 7.2299 7.2299 8.0419 8.0419 8.8046 8.8046 8.8330 8.8330 8.9834 8.9834 k = 0.4865-0.6163 0.7162 ( 5812 PWs) bands (ev): -20.6929 -20.6929 -20.6923 -20.6923 -20.1870 -20.1870 -7.4049 -7.4049 -7.3975 -7.3975 -6.8933 -6.8933 -5.5647 -5.5647 -5.5494 -5.5494 -5.2700 -5.2700 -5.2236 -5.2236 -4.9895 -4.9895 -4.7495 -4.7495 -0.7668 -0.7668 -0.7518 -0.7518 3.3349 3.3349 4.5227 4.5227 5.1925 5.1925 5.3714 5.3714 5.8912 5.8912 6.2422 6.2422 6.4811 6.4811 7.2217 7.2217 8.0413 8.0413 8.8209 8.8209 8.8459 8.8459 8.9900 8.9900 k = 0.4797-0.5963 0.7410 ( 5798 PWs) bands (ev): -20.6927 -20.6927 -20.6921 -20.6921 -20.1868 -20.1868 -7.4052 -7.4052 -7.3978 -7.3978 -6.8937 -6.8937 -5.5683 -5.5683 -5.5453 -5.5453 -5.2735 -5.2735 -5.2239 -5.2239 -4.9893 -4.9893 -4.7519 -4.7519 -0.7639 -0.7639 -0.7488 -0.7488 3.3205 3.3205 4.5279 4.5279 5.1758 5.1758 5.3809 5.3809 5.8745 5.8745 6.2265 6.2265 6.4940 6.4940 7.2081 7.2081 8.0401 8.0401 8.8403 8.8403 8.8606 8.8606 9.0091 9.0091 k = 0.4730-0.5763 0.7657 ( 5800 PWs) bands (ev): -20.6924 -20.6924 -20.6918 -20.6918 -20.1865 -20.1865 -7.4055 -7.4055 -7.3983 -7.3983 -6.8942 -6.8942 -5.5717 -5.5717 -5.5411 -5.5411 -5.2782 -5.2782 -5.2245 -5.2245 -4.9889 -4.9889 -4.7553 -4.7553 -0.7598 -0.7598 -0.7447 -0.7447 3.3004 3.3004 4.5344 4.5344 5.1532 5.1532 5.3940 5.3940 5.8525 5.8525 6.2066 6.2066 6.5119 6.5119 7.1893 7.1893 8.0384 8.0384 8.8455 8.8455 8.8751 8.8751 9.0476 9.0476 k = 0.4662-0.5563 0.7905 ( 5808 PWs) bands (ev): -20.6921 -20.6921 -20.6915 -20.6915 -20.1862 -20.1862 -7.4060 -7.4060 -7.3989 -7.3989 -6.8949 -6.8949 -5.5750 -5.5750 -5.5368 -5.5368 -5.2839 -5.2839 -5.2254 -5.2254 -4.9885 -4.9885 -4.7596 -4.7596 -0.7545 -0.7545 -0.7395 -0.7395 3.2747 3.2747 4.5413 4.5413 5.1255 5.1255 5.4104 5.4104 5.8262 5.8262 6.1840 6.1840 6.5347 6.5347 7.1656 7.1656 8.0361 8.0361 8.8330 8.8330 8.8755 8.8755 9.1041 9.1041 k = 0.4595-0.5363 0.8153 ( 5804 PWs) bands (ev): -20.6917 -20.6917 -20.6911 -20.6911 -20.1858 -20.1858 -7.4065 -7.4065 -7.3996 -7.3996 -6.8958 -6.8958 -5.5781 -5.5781 -5.5323 -5.5323 -5.2905 -5.2905 -5.2268 -5.2268 -4.9879 -4.9879 -4.7647 -4.7647 -0.7481 -0.7481 -0.7330 -0.7330 3.2436 3.2436 4.5472 4.5472 5.0943 5.0943 5.4300 5.4300 5.7970 5.7970 6.1604 6.1604 6.5622 6.5622 7.1372 7.1372 8.0332 8.0332 8.8092 8.8092 8.8521 8.8521 9.1706 9.1706 k = 0.4527-0.5162 0.8401 ( 5806 PWs) bands (ev): -20.6912 -20.6912 -20.6906 -20.6906 -20.1854 -20.1854 -7.4072 -7.4072 -7.4005 -7.4005 -6.8968 -6.8968 -5.5812 -5.5812 -5.5278 -5.5278 -5.2979 -5.2979 -5.2286 -5.2286 -4.9871 -4.9871 -4.7707 -4.7707 -0.7406 -0.7406 -0.7255 -0.7255 3.2072 3.2072 4.5498 4.5498 5.0621 5.0621 5.4524 5.4524 5.7659 5.7659 6.1371 6.1371 6.5942 6.5942 7.1045 7.1045 8.0295 8.0295 8.7771 8.7771 8.8113 8.8113 9.2465 9.2465 k = 0.4459-0.4962 0.8649 ( 5810 PWs) bands (ev): -20.6906 -20.6906 -20.6901 -20.6901 -20.1848 -20.1848 -7.4079 -7.4079 -7.4015 -7.4015 -6.8979 -6.8979 -5.5841 -5.5841 -5.5231 -5.5231 -5.3060 -5.3060 -5.2310 -5.2310 -4.9863 -4.9863 -4.7774 -4.7774 -0.7320 -0.7320 -0.7168 -0.7168 3.1658 3.1658 4.5462 4.5462 5.0322 5.0322 5.4774 5.4774 5.7344 5.7344 6.1149 6.1149 6.6303 6.6303 7.0680 7.0680 8.0249 8.0249 8.7371 8.7371 8.7624 8.7624 9.3275 9.3275 k = 0.4392-0.4762 0.8896 ( 5812 PWs) bands (ev): -20.6900 -20.6900 -20.6895 -20.6895 -20.1843 -20.1843 -7.4088 -7.4088 -7.4026 -7.4026 -6.8992 -6.8992 -5.5869 -5.5869 -5.5184 -5.5184 -5.3148 -5.3148 -5.2339 -5.2339 -4.9852 -4.9852 -4.7847 -4.7847 -0.7223 -0.7223 -0.7069 -0.7069 3.1196 3.1196 4.5328 4.5328 5.0088 5.0088 5.5041 5.5041 5.7038 5.7038 6.0947 6.0947 6.6703 6.6703 7.0280 7.0280 8.0191 8.0191 8.6871 8.6871 8.7132 8.7132 9.4046 9.4046 k = 0.4324-0.4562 0.9144 ( 5816 PWs) bands (ev): -20.6894 -20.6894 -20.6889 -20.6889 -20.1836 -20.1836 -7.4098 -7.4098 -7.4039 -7.4039 -6.9007 -6.9007 -5.5896 -5.5896 -5.5136 -5.5136 -5.3240 -5.3240 -5.2373 -5.2373 -4.9841 -4.9841 -4.7927 -4.7927 -0.7117 -0.7117 -0.6960 -0.6960 3.0690 3.0690 4.5064 4.5064 4.9960 4.9960 5.5311 5.5311 5.6761 5.6761 6.0767 6.0767 6.7136 6.7136 6.9853 6.9853 8.0119 8.0119 8.6290 8.6290 8.6660 8.6660 9.4724 9.4724 k = 0.4257-0.4362 0.9392 ( 5826 PWs) bands (ev): -20.6887 -20.6887 -20.6882 -20.6882 -20.1830 -20.1830 -7.4108 -7.4108 -7.4053 -7.4053 -6.9023 -6.9023 -5.5921 -5.5921 -5.5088 -5.5088 -5.3337 -5.3337 -5.2411 -5.2411 -4.9828 -4.9828 -4.8012 -4.8012 -0.7000 -0.7000 -0.6840 -0.6840 3.0143 3.0143 4.4656 4.4656 4.9958 4.9958 5.5545 5.5545 5.6556 5.6556 6.0611 6.0611 6.7595 6.7595 6.9406 6.9406 8.0027 8.0027 8.5680 8.5680 8.6186 8.6186 9.5271 9.5271 k = 0.4189-0.4161 0.9640 ( 5822 PWs) bands (ev): -20.6879 -20.6879 -20.6874 -20.6874 -20.1822 -20.1822 -7.4120 -7.4120 -7.4068 -7.4068 -6.9040 -6.9040 -5.5945 -5.5945 -5.5039 -5.5039 -5.3438 -5.3438 -5.2454 -5.2454 -4.9814 -4.9814 -4.8101 -4.8101 -0.6875 -0.6875 -0.6709 -0.6709 2.9560 2.9560 4.4118 4.4118 5.0078 5.0078 5.5643 5.5643 5.6523 5.6523 6.0478 6.0478 6.8063 6.8063 6.8958 6.8958 7.9909 7.9909 8.5074 8.5074 8.5705 8.5705 9.5670 9.5670 k = 0.4122-0.3961 0.9888 ( 5824 PWs) bands (ev): -20.6871 -20.6871 -20.6867 -20.6867 -20.1815 -20.1815 -7.4133 -7.4133 -7.4085 -7.4085 -6.9059 -6.9059 -5.5968 -5.5968 -5.4990 -5.4990 -5.3541 -5.3541 -5.2500 -5.2500 -4.9799 -4.9799 -4.8193 -4.8193 -0.6740 -0.6740 -0.6568 -0.6568 2.8944 2.8944 4.3474 4.3474 5.0301 5.0301 5.5551 5.5551 5.6714 5.6714 6.0366 6.0366 6.8302 6.8302 6.8745 6.8745 7.9757 7.9757 8.4494 8.4494 8.5219 8.5219 9.5930 9.5930 k = 0.4054-0.3761 1.0136 ( 5824 PWs) bands (ev): -20.6863 -20.6863 -20.6858 -20.6858 -20.1807 -20.1807 -7.4147 -7.4147 -7.4102 -7.4102 -6.9079 -6.9079 -5.5989 -5.5989 -5.4941 -5.4941 -5.3645 -5.3645 -5.2550 -5.2550 -4.9784 -4.9784 -4.8287 -4.8287 -0.6598 -0.6598 -0.6417 -0.6417 2.8301 2.8301 4.2754 4.2754 5.0605 5.0605 5.5376 5.5376 5.7021 5.7021 6.0275 6.0275 6.7903 6.7903 6.9177 6.9177 7.9559 7.9559 8.3959 8.3959 8.4736 8.4736 9.6079 9.6079 k = 0.3986-0.3561 1.0383 ( 5828 PWs) bands (ev): -20.6854 -20.6854 -20.6850 -20.6850 -20.1798 -20.1798 -7.4161 -7.4161 -7.4121 -7.4121 -6.9101 -6.9101 -5.6009 -5.6009 -5.4893 -5.4893 -5.3751 -5.3751 -5.2602 -5.2602 -4.9769 -4.9769 -4.8383 -4.8383 -0.6448 -0.6448 -0.6257 -0.6257 2.7636 2.7636 4.1982 4.1982 5.0971 5.0971 5.5189 5.5189 5.7370 5.7370 6.0201 6.0201 6.7427 6.7427 6.9691 6.9691 7.9304 7.9304 8.3485 8.3485 8.4263 8.4263 9.6149 9.6149 k = 0.3919-0.3361 1.0631 ( 5826 PWs) bands (ev): -20.6845 -20.6845 -20.6841 -20.6841 -20.1790 -20.1790 -7.4177 -7.4177 -7.4140 -7.4140 -6.9123 -6.9123 -5.6027 -5.6027 -5.4846 -5.4846 -5.3856 -5.3856 -5.2657 -5.2657 -4.9754 -4.9754 -4.8478 -4.8478 -0.6291 -0.6291 -0.6087 -0.6087 2.6953 2.6953 4.1178 4.1178 5.1385 5.1385 5.5012 5.5012 5.7730 5.7730 6.0142 6.0142 6.6949 6.6949 7.0210 7.0210 7.8986 7.8986 8.3085 8.3085 8.3805 8.3805 9.6169 9.6169 k = 0.3851-0.3160 1.0879 ( 5836 PWs) bands (ev): -20.6836 -20.6836 -20.6833 -20.6833 -20.1781 -20.1781 -7.4193 -7.4193 -7.4160 -7.4160 -6.9146 -6.9146 -5.6043 -5.6043 -5.4801 -5.4801 -5.3959 -5.3959 -5.2713 -5.2713 -4.9740 -4.9740 -4.8572 -4.8572 -0.6129 -0.6129 -0.5909 -0.5909 2.6256 2.6256 4.0357 4.0357 5.1834 5.1834 5.4854 5.4854 5.8088 5.8088 6.0098 6.0098 6.6486 6.6486 7.0717 7.0717 7.8602 7.8602 8.2764 8.2764 8.3372 8.3372 9.6163 9.6163 k = 0.3784-0.2960 1.1127 ( 5842 PWs) bands (ev): -20.6827 -20.6827 -20.6824 -20.6824 -20.1773 -20.1773 -7.4210 -7.4210 -7.4181 -7.4181 -6.9170 -6.9170 -5.6057 -5.6057 -5.4760 -5.4760 -5.4058 -5.4058 -5.2770 -5.2770 -4.9727 -4.9727 -4.8664 -4.8664 -0.5961 -0.5961 -0.5724 -0.5724 2.5552 2.5552 3.9530 3.9530 5.2310 5.2310 5.4718 5.4718 5.8431 5.8431 6.0066 6.0066 6.6047 6.6047 7.1201 7.1201 7.8159 7.8159 8.2517 8.2517 8.2971 8.2971 9.6148 9.6148 k = 0.3716-0.2760 1.1375 ( 5856 PWs) bands (ev): -20.6818 -20.6818 -20.6815 -20.6815 -20.1764 -20.1764 -7.4228 -7.4228 -7.4203 -7.4203 -6.9195 -6.9195 -5.6069 -5.6069 -5.4726 -5.4726 -5.4150 -5.4150 -5.2828 -5.2828 -4.9718 -4.9718 -4.8751 -4.8751 -0.5790 -0.5790 -0.5531 -0.5531 2.4845 2.4845 3.8708 3.8708 5.2806 5.2806 5.4604 5.4604 5.8744 5.8744 6.0047 6.0047 6.5645 6.5645 7.1650 7.1650 7.7669 7.7669 8.2328 8.2328 8.2615 8.2615 9.6139 9.6139 k = 0.3649-0.2560 1.1622 ( 5860 PWs) bands (ev): -20.6809 -20.6809 -20.6806 -20.6806 -20.1755 -20.1755 -7.4247 -7.4247 -7.4224 -7.4224 -6.9220 -6.9220 -5.6079 -5.6079 -5.4704 -5.4704 -5.4227 -5.4227 -5.2885 -5.2885 -4.9713 -4.9713 -4.8832 -4.8832 -0.5615 -0.5615 -0.5332 -0.5332 2.4139 2.4139 3.7897 3.7897 5.3312 5.3312 5.4515 5.4515 5.9015 5.9015 6.0038 6.0038 6.5294 6.5294 7.2051 7.2051 7.7146 7.7146 8.2158 8.2158 8.2339 8.2339 9.6148 9.6148 k = 0.3581-0.2360 1.1870 ( 5854 PWs) bands (ev): -20.6800 -20.6800 -20.6797 -20.6797 -20.1746 -20.1746 -7.4266 -7.4266 -7.4246 -7.4246 -6.9246 -6.9246 -5.6086 -5.6086 -5.4703 -5.4703 -5.4283 -5.4283 -5.2943 -5.2943 -4.9714 -4.9714 -4.8905 -4.8905 -0.5439 -0.5439 -0.5127 -0.5127 2.3440 2.3440 3.7104 3.7104 5.3818 5.3818 5.4456 5.4456 5.9227 5.9227 6.0039 6.0039 6.5010 6.5010 7.2395 7.2395 7.6604 7.6604 8.1944 8.1944 8.2199 8.2199 9.6184 9.6184 k = 0.3514-0.2159 1.2118 ( 5858 PWs) bands (ev): -20.6791 -20.6791 -20.6789 -20.6789 -20.1738 -20.1738 -7.4285 -7.4285 -7.4268 -7.4268 -6.9271 -6.9271 -5.6091 -5.6091 -5.4732 -5.4732 -5.4307 -5.4307 -5.3000 -5.3000 -4.9722 -4.9722 -4.8969 -4.8969 -0.5263 -0.5263 -0.4919 -0.4919 2.2751 2.2751 3.6334 3.6334 5.4245 5.4245 5.4499 5.4499 5.9370 5.9370 6.0046 6.0046 6.4809 6.4809 7.2672 7.2672 7.6052 7.6052 8.1736 8.1736 8.2139 8.2139 9.6255 9.6255 k = 0.3446-0.1959 1.2366 ( 5852 PWs) bands (ev): -20.6782 -20.6782 -20.6780 -20.6780 -20.1729 -20.1729 -7.4305 -7.4305 -7.4289 -7.4289 -6.9297 -6.9297 -5.6094 -5.6094 -5.4786 -5.4786 -5.4304 -5.4304 -5.3056 -5.3056 -4.9738 -4.9738 -4.9021 -4.9021 -0.5087 -0.5087 -0.4708 -0.4708 2.2078 2.2078 3.5592 3.5592 5.4321 5.4321 5.4908 5.4908 5.9436 5.9436 6.0054 6.0054 6.4703 6.4703 7.2876 7.2876 7.5498 7.5498 8.1572 8.1572 8.2117 8.2117 9.6365 9.6365 k = 0.3378-0.1759 1.2614 ( 5852 PWs) bands (ev): -20.6774 -20.6774 -20.6772 -20.6772 -20.1721 -20.1721 -7.4325 -7.4325 -7.4309 -7.4309 -6.9322 -6.9322 -5.6093 -5.6093 -5.4858 -5.4858 -5.4280 -5.4280 -5.3112 -5.3112 -4.9763 -4.9763 -4.9061 -4.9061 -0.4913 -0.4913 -0.4496 -0.4496 2.1424 2.1424 3.4883 3.4883 5.4324 5.4324 5.5398 5.5398 5.9421 5.9421 6.0065 6.0065 6.4697 6.4697 7.3005 7.3005 7.4950 7.4950 8.1456 8.1456 8.2118 8.2118 9.6519 9.6519 k = 0.3311-0.1559 1.2861 ( 5850 PWs) bands (ev): -20.6766 -20.6766 -20.6764 -20.6764 -20.1714 -20.1714 -7.4345 -7.4345 -7.4329 -7.4329 -6.9346 -6.9346 -5.6090 -5.6090 -5.4938 -5.4938 -5.4247 -5.4247 -5.3166 -5.3166 -4.9795 -4.9795 -4.9090 -4.9090 -0.4743 -0.4743 -0.4285 -0.4285 2.0793 2.0793 3.4211 3.4211 5.4338 5.4338 5.5876 5.5876 5.9325 5.9325 6.0089 6.0089 6.4783 6.4783 7.3059 7.3059 7.4413 7.4413 8.1385 8.1385 8.2138 8.2138 9.6719 9.6719 k = 0.3243-0.1359 1.3109 ( 5850 PWs) bands (ev): -20.6758 -20.6758 -20.6757 -20.6757 -20.1706 -20.1706 -7.4365 -7.4365 -7.4347 -7.4347 -6.9370 -6.9370 -5.6084 -5.6084 -5.5022 -5.5022 -5.4207 -5.4207 -5.3218 -5.3218 -4.9834 -4.9834 -4.9109 -4.9109 -0.4579 -0.4579 -0.4076 -0.4076 2.0191 2.0191 3.3578 3.3578 5.4368 5.4368 5.6329 5.6329 5.9157 5.9157 6.0135 6.0135 6.4947 6.4947 7.3044 7.3044 7.3892 7.3892 8.1350 8.1350 8.2170 8.2170 9.6965 9.6965 k = 0.3176-0.1158 1.3357 ( 5848 PWs) bands (ev): -20.6751 -20.6751 -20.6750 -20.6750 -20.1700 -20.1700 -7.4384 -7.4384 -7.4365 -7.4365 -6.9392 -6.9392 -5.6074 -5.6074 -5.5105 -5.5105 -5.4165 -5.4165 -5.3269 -5.3269 -4.9877 -4.9877 -4.9119 -4.9119 -0.4421 -0.4421 -0.3872 -0.3872 1.9622 1.9622 3.2988 3.2988 5.4414 5.4414 5.6745 5.6745 5.8936 5.8936 6.0210 6.0210 6.5169 6.5169 7.2952 7.2952 7.3408 7.3408 8.1343 8.1343 8.2211 8.2211 9.7255 9.7255 k = 0.3108-0.0958 1.3605 ( 5850 PWs) bands (ev): -20.6744 -20.6744 -20.6743 -20.6743 -20.1693 -20.1693 -7.4402 -7.4402 -7.4381 -7.4381 -6.9413 -6.9413 -5.6062 -5.6062 -5.5187 -5.5187 -5.4121 -5.4121 -5.3319 -5.3319 -4.9922 -4.9922 -4.9123 -4.9123 -0.4272 -0.4272 -0.3676 -0.3676 1.9089 1.9089 3.2444 3.2444 5.4478 5.4478 5.7115 5.7115 5.8681 5.8681 6.0313 6.0313 6.5434 6.5434 7.2711 7.2711 7.3045 7.3045 8.1353 8.1353 8.2260 8.2260 9.7583 9.7583 k = 0.3041-0.0758 1.3853 ( 5854 PWs) bands (ev): -20.6738 -20.6738 -20.6737 -20.6737 -20.1687 -20.1687 -7.4419 -7.4419 -7.4396 -7.4396 -6.9433 -6.9433 -5.6045 -5.6045 -5.5267 -5.5267 -5.4076 -5.4076 -5.3367 -5.3367 -4.9967 -4.9967 -4.9123 -4.9123 -0.4133 -0.4133 -0.3489 -0.3489 1.8597 1.8597 3.1950 3.1950 5.4556 5.4556 5.7425 5.7425 5.8414 5.8414 6.0446 6.0446 6.5728 6.5728 7.2295 7.2295 7.2844 7.2844 8.1372 8.1372 8.2312 8.2312 9.7945 9.7945 k = 0.2973-0.0558 1.4101 ( 5858 PWs) bands (ev): -20.6733 -20.6733 -20.6732 -20.6732 -20.1682 -20.1682 -7.4435 -7.4435 -7.4410 -7.4410 -6.9451 -6.9451 -5.6026 -5.6026 -5.5344 -5.5344 -5.4031 -5.4031 -5.3414 -5.3414 -5.0009 -5.0009 -4.9120 -4.9120 -0.4006 -0.4006 -0.3314 -0.3314 1.8150 1.8150 3.1506 3.1506 5.4650 5.4650 5.7653 5.7653 5.8163 5.8163 6.0607 6.0607 6.6041 6.6041 7.1843 7.1843 7.2677 7.2677 8.1394 8.1394 8.2365 8.2365 9.8331 9.8331 k = 0.2905-0.0358 1.4348 ( 5850 PWs) bands (ev): -20.6728 -20.6728 -20.6727 -20.6727 -20.1678 -20.1678 -7.4449 -7.4449 -7.4422 -7.4422 -6.9467 -6.9467 -5.6002 -5.6002 -5.5417 -5.5417 -5.3987 -5.3987 -5.3460 -5.3460 -5.0048 -5.0048 -4.9115 -4.9115 -0.3892 -0.3892 -0.3156 -0.3156 1.7753 1.7753 3.1117 3.1117 5.4757 5.4757 5.7684 5.7684 5.8057 5.8057 6.0786 6.0786 6.6366 6.6366 7.1398 7.1398 7.2514 7.2514 8.1415 8.1415 8.2417 8.2417 9.8732 9.8732 k = 0.2838-0.0157 1.4596 ( 5840 PWs) bands (ev): -20.6724 -20.6724 -20.6723 -20.6723 -20.1674 -20.1674 -7.4461 -7.4461 -7.4432 -7.4432 -6.9481 -6.9481 -5.5975 -5.5975 -5.5487 -5.5487 -5.3943 -5.3943 -5.3504 -5.3504 -5.0083 -5.0083 -4.9110 -4.9110 -0.3792 -0.3792 -0.3015 -0.3015 1.7409 1.7409 3.0784 3.0784 5.4876 5.4876 5.7480 5.7480 5.8144 5.8144 6.0973 6.0973 6.6695 6.6695 7.0969 7.0969 7.2359 7.2359 8.1433 8.1433 8.2467 8.2467 9.9132 9.9132 k = 0.2770 0.0043 1.4844 ( 5844 PWs) bands (ev): -20.6720 -20.6720 -20.6720 -20.6720 -20.1670 -20.1670 -7.4471 -7.4471 -7.4441 -7.4441 -6.9492 -6.9492 -5.5945 -5.5945 -5.5553 -5.5553 -5.3900 -5.3900 -5.3548 -5.3548 -5.0112 -5.0112 -4.9105 -4.9105 -0.3709 -0.3709 -0.2895 -0.2895 1.7121 1.7121 3.0508 3.0508 5.5002 5.5002 5.7238 5.7238 5.8243 5.8243 6.1152 6.1152 6.7023 6.7023 7.0561 7.0561 7.2217 7.2217 8.1446 8.1446 8.2510 8.2510 9.9516 9.9516 k = 0.2703 0.0243 1.5092 ( 5838 PWs) bands (ev): -20.6718 -20.6718 -20.6717 -20.6717 -20.1668 -20.1668 -7.4479 -7.4479 -7.4448 -7.4448 -6.9502 -6.9502 -5.5911 -5.5911 -5.5615 -5.5615 -5.3858 -5.3858 -5.3590 -5.3590 -5.0135 -5.0135 -4.9101 -4.9101 -0.3643 -0.3643 -0.2799 -0.2799 1.6894 1.6894 3.0292 3.0292 5.5130 5.5130 5.7011 5.7011 5.8318 5.8318 6.1310 6.1310 6.7340 6.7340 7.0184 7.0184 7.2098 7.2098 8.1455 8.1455 8.2547 8.2547 9.9861 9.9861 k = 0.2635 0.0443 1.5340 ( 5840 PWs) bands (ev): -20.6716 -20.6716 -20.6715 -20.6715 -20.1666 -20.1666 -7.4485 -7.4485 -7.4453 -7.4453 -6.9508 -6.9508 -5.5873 -5.5873 -5.5672 -5.5672 -5.3818 -5.3818 -5.3630 -5.3630 -5.0152 -5.0152 -4.9098 -4.9098 -0.3595 -0.3595 -0.2729 -0.2729 1.6729 1.6729 3.0137 3.0137 5.5248 5.5248 5.6819 5.6819 5.8368 5.8368 6.1432 6.1432 6.7629 6.7629 6.9852 6.9852 7.2007 7.2007 8.1461 8.1461 8.2574 8.2574 10.0140 10.0140 k = 0.2568 0.0644 1.5587 ( 5840 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1665 -20.1665 -7.4489 -7.4489 -7.4456 -7.4456 -6.9512 -6.9512 -5.5834 -5.5834 -5.5723 -5.5723 -5.3782 -5.3782 -5.3665 -5.3665 -5.0162 -5.0162 -4.9096 -4.9096 -0.3566 -0.3566 -0.2686 -0.2686 1.6630 1.6630 3.0044 3.0044 5.5337 5.5337 5.6685 5.6685 5.8397 5.8397 6.1510 6.1510 6.7853 6.7853 6.9603 6.9603 7.1950 7.1950 8.1464 8.1464 8.2591 8.2591 10.0324 10.0324 k = 0.2500 0.0844 1.5835 ( 5840 PWs) bands (ev): -20.6714 -20.6714 -20.6714 -20.6714 -20.1664 -20.1664 -7.4490 -7.4490 -7.4457 -7.4457 -6.9513 -6.9513 -5.5807 -5.5807 -5.5754 -5.5754 -5.3764 -5.3764 -5.3684 -5.3684 -5.0166 -5.0166 -4.9095 -4.9095 -0.3557 -0.3557 -0.2671 -0.2671 1.6596 1.6596 3.0013 3.0013 5.5371 5.5371 5.6636 5.6636 5.8406 5.8406 6.1537 6.1537 6.7942 6.7942 6.9505 6.9505 7.1931 7.1931 8.1465 8.1465 8.2597 8.2597 10.0388 10.0388 k = 0.0285-0.0844 1.5835 ( 5844 PWs) bands (ev): -20.6718 -20.6718 -20.6713 -20.6713 -20.1666 -20.1666 -7.4479 -7.4479 -7.4459 -7.4459 -6.9508 -6.9508 -5.5900 -5.5900 -5.5638 -5.5638 -5.3877 -5.3877 -5.3572 -5.3572 -5.0154 -5.0154 -4.9092 -4.9092 -0.3569 -0.3569 -0.2694 -0.2694 1.6713 1.6713 3.0094 3.0094 5.5278 5.5278 5.6590 5.6590 5.8130 5.8130 6.1875 6.1875 6.7594 6.7594 7.0265 7.0265 7.1670 7.1670 8.1315 8.1315 8.2510 8.2510 10.0151 10.0151 k = 0.0353-0.1045 1.5586 ( 5844 PWs) bands (ev): -20.6721 -20.6721 -20.6714 -20.6714 -20.1668 -20.1668 -7.4471 -7.4471 -7.4457 -7.4457 -6.9502 -6.9502 -5.5925 -5.5925 -5.5596 -5.5596 -5.3897 -5.3897 -5.3553 -5.3553 -5.0138 -5.0138 -4.9094 -4.9094 -0.3620 -0.3620 -0.2751 -0.2751 1.6857 1.6857 3.0251 3.0251 5.5225 5.5225 5.6593 5.6593 5.8114 5.8114 6.1832 6.1832 6.7348 6.7348 7.0548 7.0548 7.1790 7.1790 8.1288 8.1288 8.2498 8.2498 10.0067 10.0067 k = 0.0421-0.1247 1.5336 ( 5839 PWs) bands (ev): -20.6725 -20.6725 -20.6715 -20.6715 -20.1670 -20.1670 -7.4461 -7.4461 -7.4452 -7.4452 -6.9493 -6.9493 -5.5951 -5.5951 -5.5543 -5.5543 -5.3925 -5.3925 -5.3526 -5.3526 -5.0115 -5.0115 -4.9098 -4.9098 -0.3690 -0.3690 -0.2836 -0.2836 1.7066 1.7066 3.0471 3.0471 5.5129 5.5129 5.6641 5.6641 5.8098 5.8098 6.1756 6.1756 6.7053 6.7053 7.0892 7.0892 7.1939 7.1939 8.1271 8.1271 8.2467 8.2467 9.9981 9.9981 k = 0.0489-0.1448 1.5087 ( 5839 PWs) bands (ev): -20.6729 -20.6729 -20.6717 -20.6717 -20.1673 -20.1673 -7.4452 -7.4452 -7.4443 -7.4443 -6.9482 -6.9482 -5.5977 -5.5977 -5.5484 -5.5484 -5.3959 -5.3959 -5.3493 -5.3493 -5.0085 -5.0085 -4.9103 -4.9103 -0.3778 -0.3778 -0.2946 -0.2946 1.7337 1.7337 3.0751 3.0751 5.5009 5.5009 5.6703 5.6703 5.8080 5.8080 6.1667 6.1667 6.6731 6.6731 7.1275 7.1275 7.2109 7.2109 8.1266 8.1266 8.2415 8.2415 9.9895 9.9895 k = 0.0557-0.1650 1.4838 ( 5849 PWs) bands (ev): -20.6734 -20.6734 -20.6720 -20.6720 -20.1677 -20.1677 -7.4445 -7.4445 -7.4428 -7.4428 -6.9469 -6.9469 -5.6001 -5.6001 -5.5418 -5.5418 -5.3996 -5.3996 -5.3456 -5.3456 -5.0051 -5.0051 -4.9108 -4.9108 -0.3881 -0.3881 -0.3079 -0.3079 1.7667 1.7667 3.1089 3.1089 5.4882 5.4882 5.6751 5.6751 5.8058 5.8058 6.1585 6.1585 6.6394 6.6394 7.1683 7.1683 7.2293 7.2293 8.1275 8.1275 8.2342 8.2342 9.9807 9.9807 k = 0.0625-0.1851 1.4588 ( 5841 PWs) bands (ev): -20.6740 -20.6740 -20.6723 -20.6723 -20.1682 -20.1682 -7.4436 -7.4436 -7.4411 -7.4411 -6.9453 -6.9453 -5.6023 -5.6023 -5.5348 -5.5348 -5.4036 -5.4036 -5.3415 -5.3415 -5.0011 -5.0011 -4.9113 -4.9113 -0.4000 -0.4000 -0.3232 -0.3232 1.8052 1.8052 3.1485 3.1485 5.4756 5.4756 5.6760 5.6760 5.8029 5.8029 6.1534 6.1534 6.6049 6.6049 7.2102 7.2102 7.2489 7.2489 8.1302 8.1302 8.2249 8.2249 9.9702 9.9702 k = 0.0693-0.2053 1.4339 ( 5847 PWs) bands (ev): -20.6747 -20.6747 -20.6727 -20.6727 -20.1687 -20.1687 -7.4426 -7.4426 -7.4392 -7.4392 -6.9435 -6.9435 -5.6041 -5.6041 -5.5274 -5.5274 -5.4078 -5.4078 -5.3371 -5.3371 -4.9968 -4.9968 -4.9117 -4.9117 -0.4131 -0.4131 -0.3402 -0.3402 1.8488 1.8488 3.1935 3.1935 5.4636 5.4636 5.6713 5.6713 5.7988 5.7988 6.1537 6.1537 6.5699 6.5699 7.2481 7.2481 7.2736 7.2736 8.1347 8.1347 8.2139 8.2139 9.9526 9.9526 k = 0.0761-0.2254 1.4089 ( 5847 PWs) bands (ev): -20.6754 -20.6754 -20.6732 -20.6732 -20.1692 -20.1692 -7.4414 -7.4414 -7.4371 -7.4371 -6.9416 -6.9416 -5.6056 -5.6056 -5.5196 -5.5196 -5.4121 -5.4121 -5.3325 -5.3325 -4.9922 -4.9922 -4.9118 -4.9118 -0.4275 -0.4275 -0.3586 -0.3586 1.8971 1.8971 3.2438 3.2438 5.4526 5.4526 5.6598 5.6598 5.7935 5.7935 6.1607 6.1607 6.5349 6.5349 7.2714 7.2714 7.3126 7.3126 8.1411 8.1411 8.2019 8.2019 9.9246 9.9246 k = 0.0829-0.2456 1.3840 ( 5841 PWs) bands (ev): -20.6761 -20.6761 -20.6738 -20.6738 -20.1699 -20.1699 -7.4402 -7.4402 -7.4349 -7.4349 -6.9395 -6.9395 -5.6068 -5.6068 -5.5115 -5.5115 -5.4164 -5.4164 -5.3277 -5.3277 -4.9876 -4.9876 -4.9116 -4.9116 -0.4429 -0.4429 -0.3781 -0.3781 1.9498 1.9498 3.2990 3.2990 5.4425 5.4425 5.6412 5.6412 5.7869 5.7869 6.1752 6.1752 6.5002 6.5002 7.2855 7.2855 7.3592 7.3592 8.1490 8.1490 8.1900 8.1900 9.8934 9.8934 k = 0.0897-0.2657 1.3591 ( 5839 PWs) bands (ev): -20.6769 -20.6769 -20.6744 -20.6744 -20.1706 -20.1706 -7.4389 -7.4389 -7.4326 -7.4326 -6.9372 -6.9372 -5.6077 -5.6077 -5.5032 -5.5032 -5.4207 -5.4207 -5.3226 -5.3226 -4.9831 -4.9831 -4.9107 -4.9107 -0.4590 -0.4590 -0.3985 -0.3985 2.0062 2.0062 3.3589 3.3589 5.4332 5.4332 5.6162 5.6162 5.7789 5.7789 6.1969 6.1969 6.4660 6.4660 7.2943 7.2943 7.4084 7.4084 8.1560 8.1560 8.1819 8.1819 9.8624 9.8624 k = 0.0965-0.2859 1.3341 ( 5843 PWs) bands (ev): -20.6778 -20.6778 -20.6750 -20.6750 -20.1713 -20.1713 -7.4374 -7.4374 -7.4301 -7.4301 -6.9349 -6.9349 -5.6083 -5.6083 -5.4949 -5.4949 -5.4248 -5.4248 -5.3174 -5.3174 -4.9790 -4.9790 -4.9091 -4.9091 -0.4759 -0.4759 -0.4195 -0.4195 2.0660 2.0660 3.4232 3.4232 5.4242 5.4242 5.5863 5.5863 5.7698 5.7698 6.2249 6.2249 6.4327 6.4327 7.2976 7.2976 7.4588 7.4588 8.1549 8.1549 8.1863 8.1863 9.8326 9.8326 k = 0.1033-0.3060 1.3092 ( 5843 PWs) bands (ev): -20.6787 -20.6787 -20.6757 -20.6757 -20.1721 -20.1721 -7.4359 -7.4359 -7.4276 -7.4276 -6.9324 -6.9324 -5.6085 -5.6085 -5.4868 -5.4868 -5.4283 -5.4283 -5.3119 -5.3119 -4.9755 -4.9755 -4.9065 -4.9065 -0.4933 -0.4933 -0.4409 -0.4409 2.1288 2.1288 3.4916 3.4916 5.4144 5.4144 5.5538 5.5538 5.7593 5.7593 6.2578 6.2578 6.4012 6.4012 7.2946 7.2946 7.5100 7.5100 8.1489 8.1489 8.2013 8.2013 9.8045 9.8045 k = 0.1101-0.3262 1.2842 ( 5847 PWs) bands (ev): -20.6796 -20.6796 -20.6764 -20.6764 -20.1729 -20.1729 -7.4344 -7.4344 -7.4251 -7.4251 -6.9299 -6.9299 -5.6085 -5.6085 -5.4793 -5.4793 -5.4310 -5.4310 -5.3063 -5.3063 -4.9729 -4.9729 -4.9027 -4.9027 -0.5110 -0.5110 -0.4624 -0.4624 2.1940 2.1940 3.5636 3.5636 5.4015 5.4015 5.5226 5.5226 5.7474 5.7474 6.2929 6.2929 6.3732 6.3732 7.2845 7.2845 7.5616 7.5616 8.1448 8.1448 8.2215 8.2215 9.7784 9.7784 k = 0.1169-0.3463 1.2593 ( 5847 PWs) bands (ev): -20.6806 -20.6806 -20.6772 -20.6772 -20.1737 -20.1737 -7.4329 -7.4329 -7.4225 -7.4225 -6.9273 -6.9273 -5.6083 -5.6083 -5.4734 -5.4734 -5.4319 -5.4319 -5.3006 -5.3006 -4.9711 -4.9711 -4.8977 -4.8977 -0.5289 -0.5289 -0.4839 -0.4839 2.2613 2.2613 3.6391 3.6391 5.3815 5.3815 5.4975 5.4975 5.7340 5.7340 6.3160 6.3160 6.3626 6.3626 7.2670 7.2670 7.6131 7.6131 8.1450 8.1450 8.2457 8.2457 9.7543 9.7543 k = 0.1237-0.3665 1.2343 ( 5849 PWs) bands (ev): -20.6815 -20.6815 -20.6780 -20.6780 -20.1745 -20.1745 -7.4313 -7.4313 -7.4199 -7.4199 -6.9248 -6.9248 -5.6077 -5.6077 -5.4701 -5.4701 -5.4301 -5.4301 -5.2947 -5.2947 -4.9702 -4.9702 -4.8916 -4.8916 -0.5469 -0.5469 -0.5052 -0.5052 2.3301 2.3301 3.7174 3.7174 5.3516 5.3516 5.4826 5.4826 5.7191 5.7191 6.3020 6.3020 6.3941 6.3941 7.2421 7.2421 7.6639 7.6639 8.1503 8.1503 8.2739 8.2739 9.7322 9.7322 k = 0.1305-0.3866 1.2094 ( 5851 PWs) bands (ev): -20.6825 -20.6825 -20.6788 -20.6788 -20.1754 -20.1754 -7.4297 -7.4297 -7.4173 -7.4173 -6.9222 -6.9222 -5.6070 -5.6070 -5.4697 -5.4697 -5.4250 -5.4250 -5.2888 -5.2888 -4.9700 -4.9700 -4.8844 -4.8844 -0.5648 -0.5648 -0.5261 -0.5261 2.4001 2.4001 3.7983 3.7983 5.3132 5.3132 5.4772 5.4772 5.7027 5.7027 6.2791 6.2791 6.4389 6.4389 7.2101 7.2101 7.7134 7.7134 8.1612 8.1612 8.3063 8.3063 9.7121 9.7121 k = 0.1373-0.4068 1.1845 ( 5843 PWs) bands (ev): -20.6835 -20.6835 -20.6796 -20.6796 -20.1763 -20.1763 -7.4282 -7.4282 -7.4148 -7.4148 -6.9196 -6.9196 -5.6059 -5.6059 -5.4717 -5.4717 -5.4174 -5.4174 -5.2828 -5.2828 -4.9705 -4.9705 -4.8764 -4.8764 -0.5825 -0.5825 -0.5466 -0.5466 2.4706 2.4706 3.8811 3.8811 5.2696 5.2696 5.4787 5.4787 5.6851 5.6851 6.2568 6.2568 6.4872 6.4872 7.1720 7.1720 7.7611 7.7611 8.1773 8.1773 8.3431 8.3431 9.6937 9.6937 k = 0.1441-0.4269 1.1595 ( 5840 PWs) bands (ev): -20.6845 -20.6845 -20.6804 -20.6804 -20.1772 -20.1772 -7.4267 -7.4267 -7.4123 -7.4123 -6.9171 -6.9171 -5.6047 -5.6047 -5.4751 -5.4751 -5.4084 -5.4084 -5.2768 -5.2768 -4.9714 -4.9714 -4.8677 -4.8677 -0.5999 -0.5999 -0.5665 -0.5665 2.5414 2.5414 3.9654 3.9654 5.2236 5.2236 5.4850 5.4850 5.6667 5.6667 6.2364 6.2364 6.5373 6.5373 7.1289 7.1289 7.8063 7.8063 8.1984 8.1984 8.3845 8.3845 9.6767 9.6767 k = 0.1509-0.4471 1.1346 ( 5836 PWs) bands (ev): -20.6855 -20.6855 -20.6813 -20.6813 -20.1781 -20.1781 -7.4252 -7.4252 -7.4098 -7.4098 -6.9147 -6.9147 -5.6033 -5.6033 -5.4791 -5.4791 -5.3986 -5.3986 -5.2708 -5.2708 -4.9726 -4.9726 -4.8586 -4.8586 -0.6169 -0.6169 -0.5856 -0.5856 2.6117 2.6117 4.0504 4.0504 5.1766 5.1766 5.4951 5.4951 5.6481 5.6481 6.2184 6.2184 6.5882 6.5882 7.0820 7.0820 7.8483 7.8483 8.2238 8.2238 8.4308 8.4308 9.6604 9.6604 k = 0.1577-0.4672 1.1096 ( 5830 PWs) bands (ev): -20.6864 -20.6864 -20.6821 -20.6821 -20.1789 -20.1789 -7.4238 -7.4238 -7.4075 -7.4075 -6.9123 -6.9123 -5.6017 -5.6017 -5.4836 -5.4836 -5.3884 -5.3884 -5.2649 -5.2649 -4.9741 -4.9741 -4.8492 -4.8492 -0.6333 -0.6333 -0.6040 -0.6040 2.6813 2.6813 4.1355 4.1355 5.1297 5.1297 5.5083 5.5083 5.6300 5.6300 6.2029 6.2029 6.6392 6.6392 7.0327 7.0327 7.8869 7.8869 8.2529 8.2529 8.4818 8.4818 9.6441 9.6441 k = 0.1645-0.4874 1.0847 ( 5832 PWs) bands (ev): -20.6874 -20.6874 -20.6829 -20.6829 -20.1798 -20.1798 -7.4225 -7.4225 -7.4053 -7.4053 -6.9101 -6.9101 -5.5999 -5.5999 -5.4883 -5.4883 -5.3779 -5.3779 -5.2592 -5.2592 -4.9757 -4.9757 -4.8396 -4.8396 -0.6491 -0.6491 -0.6216 -0.6216 2.7495 2.7495 4.2198 4.2198 5.0835 5.0835 5.5237 5.5237 5.6136 5.6136 6.1900 6.1900 6.6893 6.6893 6.9827 6.9827 7.9216 7.9216 8.2853 8.2853 8.5375 8.5375 9.6266 9.6266 k = 0.1713-0.5075 1.0598 ( 5827 PWs) bands (ev): -20.6883 -20.6883 -20.6837 -20.6837 -20.1806 -20.1806 -7.4212 -7.4212 -7.4031 -7.4031 -6.9079 -6.9079 -5.5980 -5.5980 -5.4931 -5.4931 -5.3675 -5.3675 -5.2536 -5.2536 -4.9773 -4.9773 -4.8301 -4.8301 -0.6643 -0.6643 -0.6382 -0.6382 2.8158 2.8158 4.3022 4.3022 5.0385 5.0385 5.5398 5.5398 5.6014 5.6014 6.1796 6.1796 6.7368 6.7368 6.9342 6.9342 7.9523 7.9523 8.3202 8.3202 8.5976 8.5976 9.6066 9.6066 k = 0.1781-0.5277 1.0348 ( 5819 PWs) bands (ev): -20.6892 -20.6892 -20.6845 -20.6845 -20.1814 -20.1814 -7.4200 -7.4200 -7.4011 -7.4011 -6.9059 -6.9059 -5.5959 -5.5959 -5.4979 -5.4979 -5.3571 -5.3571 -5.2483 -5.2483 -4.9790 -4.9790 -4.8206 -4.8206 -0.6787 -0.6787 -0.6539 -0.6539 2.8797 2.8797 4.3818 4.3818 4.9952 4.9952 5.5511 5.5511 5.5995 5.5995 6.1717 6.1717 6.7755 6.7755 6.8938 6.8938 7.9791 7.9791 8.3573 8.3573 8.6616 8.6616 9.5822 9.5822 k = 0.1849-0.5478 1.0099 ( 5819 PWs) bands (ev): -20.6901 -20.6901 -20.6852 -20.6852 -20.1822 -20.1822 -7.4189 -7.4189 -7.3993 -7.3993 -6.9040 -6.9040 -5.5937 -5.5937 -5.5028 -5.5028 -5.3469 -5.3469 -5.2432 -5.2432 -4.9805 -4.9805 -4.8113 -4.8113 -0.6922 -0.6922 -0.6685 -0.6685 2.9408 2.9408 4.4572 4.4572 4.9539 4.9539 5.5525 5.5525 5.6135 5.6135 6.1664 6.1664 6.7828 6.7828 6.8844 6.8844 8.0021 8.0021 8.3961 8.3961 8.7287 8.7287 9.5512 9.5512 k = 0.1917-0.5680 0.9849 ( 5818 PWs) bands (ev): -20.6909 -20.6909 -20.6859 -20.6859 -20.1829 -20.1829 -7.4179 -7.4179 -7.3975 -7.3975 -6.9022 -6.9022 -5.5914 -5.5914 -5.5076 -5.5076 -5.3371 -5.3371 -5.2385 -5.2385 -4.9820 -4.9820 -4.8024 -4.8024 -0.7049 -0.7049 -0.6821 -0.6821 2.9986 2.9986 4.5272 4.5272 4.9150 4.9150 5.5505 5.5505 5.6379 5.6379 6.1637 6.1637 6.7517 6.7517 6.9134 6.9134 8.0216 8.0216 8.4361 8.4361 8.7980 8.7980 9.5116 9.5116 k = 0.1985-0.5881 0.9600 ( 5812 PWs) bands (ev): -20.6916 -20.6916 -20.6866 -20.6866 -20.1836 -20.1836 -7.4170 -7.4170 -7.3959 -7.3959 -6.9006 -6.9006 -5.5889 -5.5889 -5.5124 -5.5124 -5.3276 -5.3276 -5.2342 -5.2342 -4.9834 -4.9834 -4.7939 -4.7939 -0.7166 -0.7166 -0.6946 -0.6946 3.0526 3.0526 4.5903 4.5903 4.8786 4.8786 5.5508 5.5508 5.6670 5.6670 6.1637 6.1637 6.7102 6.7102 6.9528 6.9528 8.0379 8.0379 8.4770 8.4770 8.8684 8.8684 9.4607 9.4607 k = 0.2053-0.6083 0.9350 ( 5816 PWs) bands (ev): -20.6923 -20.6923 -20.6872 -20.6872 -20.1843 -20.1843 -7.4161 -7.4161 -7.3945 -7.3945 -6.8991 -6.8991 -5.5863 -5.5863 -5.5170 -5.5170 -5.3186 -5.3186 -5.2303 -5.2303 -4.9847 -4.9847 -4.7859 -4.7859 -0.7274 -0.7274 -0.7060 -0.7060 3.1025 3.1025 4.6457 4.6457 4.8450 4.8450 5.5554 5.5554 5.6989 5.6989 6.1664 6.1664 6.6683 6.6683 6.9926 6.9926 8.0512 8.0512 8.5180 8.5180 8.9379 8.9379 9.3915 9.3915 k = 0.2121-0.6284 0.9101 ( 5814 PWs) bands (ev): -20.6930 -20.6930 -20.6878 -20.6878 -20.1849 -20.1849 -7.4154 -7.4154 -7.3932 -7.3932 -6.8978 -6.8978 -5.5836 -5.5836 -5.5216 -5.5216 -5.3101 -5.3101 -5.2268 -5.2268 -4.9859 -4.9859 -4.7785 -4.7785 -0.7371 -0.7371 -0.7162 -0.7162 3.1479 3.1479 4.6924 4.6924 4.8145 4.8145 5.5646 5.5646 5.7322 5.7322 6.1718 6.1718 6.6287 6.6287 7.0303 7.0303 8.0620 8.0620 8.5584 8.5584 9.0028 9.0028 9.3048 9.3048 k = 0.2189-0.6486 0.8852 ( 5812 PWs) bands (ev): -20.6935 -20.6935 -20.6883 -20.6883 -20.1854 -20.1854 -7.4147 -7.4147 -7.3920 -7.3920 -6.8966 -6.8966 -5.5808 -5.5808 -5.5261 -5.5261 -5.3024 -5.3024 -5.2239 -5.2239 -4.9868 -4.9868 -4.7717 -4.7717 -0.7457 -0.7457 -0.7253 -0.7253 3.1884 3.1884 4.7305 4.7305 4.7873 4.7873 5.5777 5.5777 5.7661 5.7661 6.1798 6.1798 6.5923 6.5923 7.0650 7.0650 8.0706 8.0706 8.5967 8.5967 9.0538 9.0538 9.2168 9.2168 k = 0.2257-0.6687 0.8602 ( 5809 PWs) bands (ev): -20.6940 -20.6940 -20.6887 -20.6887 -20.1858 -20.1858 -7.4142 -7.4142 -7.3910 -7.3910 -6.8956 -6.8956 -5.5779 -5.5779 -5.5305 -5.5305 -5.2953 -5.2953 -5.2214 -5.2214 -4.9877 -4.9877 -4.7658 -4.7658 -0.7533 -0.7533 -0.7332 -0.7332 3.2239 3.2239 4.7593 4.7593 4.7642 4.7642 5.5936 5.5936 5.7994 5.7994 6.1902 6.1902 6.5598 6.5598 7.0959 7.0959 8.0772 8.0772 8.6308 8.6308 9.0705 9.0705 9.1387 9.1387 k = 0.2325-0.6889 0.8353 ( 5811 PWs) bands (ev): -20.6945 -20.6945 -20.6891 -20.6891 -20.1862 -20.1862 -7.4137 -7.4137 -7.3902 -7.3902 -6.8947 -6.8947 -5.5750 -5.5750 -5.5347 -5.5347 -5.2891 -5.2891 -5.2194 -5.2194 -4.9884 -4.9884 -4.7606 -4.7606 -0.7597 -0.7597 -0.7399 -0.7399 3.2542 3.2542 4.7427 4.7427 4.7828 4.7828 5.6105 5.6105 5.8310 5.8310 6.2022 6.2022 6.5315 6.5315 7.1226 7.1226 8.0822 8.0822 8.6573 8.6573 9.0444 9.0444 9.0768 9.0768 k = 0.2393-0.7090 0.8103 ( 5811 PWs) bands (ev): -20.6948 -20.6948 -20.6895 -20.6895 -20.1866 -20.1866 -7.4133 -7.4133 -7.3895 -7.3895 -6.8940 -6.8940 -5.5721 -5.5721 -5.5387 -5.5387 -5.2839 -5.2839 -5.2178 -5.2178 -4.9889 -4.9889 -4.7562 -4.7562 -0.7650 -0.7650 -0.7454 -0.7454 3.2792 3.2792 4.7258 4.7258 4.7989 4.7989 5.6267 5.6267 5.8595 5.8595 6.2149 6.2149 6.5079 6.5079 7.1449 7.1449 8.0857 8.0857 8.6724 8.6724 9.0006 9.0006 9.0361 9.0361 k = 0.2461-0.7292 0.7854 ( 5812 PWs) bands (ev): -20.6951 -20.6951 -20.6897 -20.6897 -20.1868 -20.1868 -7.4130 -7.4130 -7.3889 -7.3889 -6.8935 -6.8935 -5.5691 -5.5691 -5.5424 -5.5424 -5.2797 -5.2797 -5.2166 -5.2166 -4.9894 -4.9894 -4.7528 -4.7528 -0.7692 -0.7692 -0.7497 -0.7497 3.2986 3.2986 4.7126 4.7126 4.8100 4.8100 5.6407 5.6407 5.8836 5.8836 6.2270 6.2270 6.4891 6.4891 7.1625 7.1625 8.0881 8.0881 8.6746 8.6746 8.9560 8.9560 9.0219 9.0219 k = 0.2529-0.7493 0.7605 ( 5813 PWs) bands (ev): -20.6953 -20.6953 -20.6899 -20.6899 -20.1870 -20.1870 -7.4128 -7.4128 -7.3886 -7.3886 -6.8931 -6.8931 -5.5664 -5.5664 -5.5457 -5.5457 -5.2766 -5.2766 -5.2159 -5.2159 -4.9897 -4.9897 -4.7504 -4.7504 -0.7721 -0.7721 -0.7528 -0.7528 3.3126 3.3126 4.7032 4.7032 4.8172 4.8172 5.6514 5.6514 5.9019 5.9019 6.2371 6.2371 6.4755 6.4755 7.1751 7.1751 8.0897 8.0897 8.6682 8.6682 8.9197 8.9197 9.0293 9.0293 k = 0.2597-0.7695 0.7355 ( 5819 PWs) bands (ev): -20.6954 -20.6954 -20.6900 -20.6900 -20.1871 -20.1871 -7.4127 -7.4127 -7.3883 -7.3883 -6.8928 -6.8928 -5.5643 -5.5643 -5.5482 -5.5482 -5.2747 -5.2747 -5.2154 -5.2154 -4.9898 -4.9898 -4.7489 -4.7489 -0.7739 -0.7739 -0.7547 -0.7547 3.3209 3.3209 4.6975 4.6975 4.8211 4.8211 5.6581 5.6581 5.9134 5.9134 6.2438 6.2438 6.4673 6.4673 7.1828 7.1828 8.0905 8.0905 8.6605 8.6605 8.8964 8.8964 9.0469 9.0469 k = 0.2665-0.7896 0.7106 ( 5827 PWs) bands (ev): -20.6955 -20.6955 -20.6900 -20.6900 -20.1872 -20.1872 -7.4126 -7.4126 -7.3882 -7.3882 -6.8928 -6.8928 -5.5634 -5.5634 -5.5492 -5.5492 -5.2741 -5.2741 -5.2153 -5.2153 -4.9899 -4.9899 -4.7484 -4.7484 -0.7745 -0.7745 -0.7553 -0.7553 3.3237 3.3237 4.6956 4.6956 4.8224 4.8224 5.6604 5.6604 5.9173 5.9173 6.2461 6.2461 6.4645 6.4645 7.1853 7.1853 8.0907 8.0907 8.6574 8.6574 8.8884 8.8884 9.0574 9.0574 k = 0.7335-0.5232 0.6226 ( 5827 PWs) bands (ev): -20.6955 -20.6955 -20.6900 -20.6900 -20.1872 -20.1872 -7.4126 -7.4126 -7.3882 -7.3882 -6.8928 -6.8928 -5.5634 -5.5634 -5.5492 -5.5492 -5.2741 -5.2741 -5.2153 -5.2153 -4.9899 -4.9899 -4.7484 -4.7484 -0.7745 -0.7745 -0.7553 -0.7553 3.3237 3.3237 4.6956 4.6956 4.8224 4.8224 5.6604 5.6604 5.9173 5.9173 6.2461 6.2461 6.4645 6.4645 7.1853 7.1853 8.0907 8.0907 8.6574 8.6574 8.8884 8.8884 9.0574 9.0574 k = 0.7255-0.4993 0.6012 ( 5827 PWs) bands (ev): -20.6970 -20.6970 -20.6886 -20.6886 -20.1872 -20.1872 -7.4163 -7.4163 -7.3835 -7.3835 -6.8924 -6.8924 -5.5670 -5.5670 -5.5434 -5.5434 -5.2771 -5.2771 -5.2117 -5.2117 -4.9893 -4.9893 -4.7489 -4.7489 -0.7786 -0.7786 -0.7598 -0.7598 3.3080 3.3080 4.7277 4.7277 4.7914 4.7914 5.6982 5.6982 5.9261 5.9261 6.2432 6.2432 6.4828 6.4828 7.1734 7.1734 8.1087 8.1087 8.6099 8.6099 8.8950 8.8950 9.0083 9.0083 k = 0.7174-0.4754 0.5797 ( 5830 PWs) bands (ev): -20.6985 -20.6985 -20.6872 -20.6872 -20.1873 -20.1873 -7.4197 -7.4197 -7.3785 -7.3785 -6.8918 -6.8918 -5.5702 -5.5702 -5.5370 -5.5370 -5.2801 -5.2801 -5.2083 -5.2083 -4.9881 -4.9881 -4.7494 -4.7494 -0.7837 -0.7837 -0.7666 -0.7666 3.2880 3.2880 4.7580 4.7580 4.7691 4.7691 5.7379 5.7379 5.9367 5.9367 6.2415 6.2415 6.5082 6.5082 7.1603 7.1603 8.1246 8.1246 8.5595 8.5595 8.8943 8.8943 8.9549 8.9549 k = 0.7094-0.4516 0.5582 ( 5824 PWs) bands (ev): -20.7000 -20.7000 -20.6858 -20.6858 -20.1873 -20.1873 -7.4228 -7.4228 -7.3733 -7.3733 -6.8910 -6.8910 -5.5729 -5.5729 -5.5304 -5.5304 -5.2829 -5.2829 -5.2051 -5.2051 -4.9865 -4.9865 -4.7500 -4.7500 -0.7900 -0.7900 -0.7755 -0.7755 3.2642 3.2642 4.7335 4.7335 4.8086 4.8086 5.7786 5.7786 5.9492 5.9492 6.2411 6.2411 6.5404 6.5404 7.1465 7.1465 8.1387 8.1387 8.5074 8.5074 8.8850 8.8850 8.8988 8.8988 k = 0.7013-0.4277 0.5368 ( 5820 PWs) bands (ev): -20.7016 -20.7016 -20.6845 -20.6845 -20.1874 -20.1874 -7.4258 -7.4258 -7.3680 -7.3680 -6.8901 -6.8901 -5.5753 -5.5753 -5.5234 -5.5234 -5.2856 -5.2856 -5.2022 -5.2022 -4.9844 -4.9844 -4.7507 -4.7507 -0.7982 -0.7982 -0.7858 -0.7858 3.2370 3.2370 4.7090 4.7090 4.8555 4.8555 5.8196 5.8196 5.9633 5.9633 6.2419 6.2419 6.5785 6.5785 7.1321 7.1321 8.1512 8.1512 8.4544 8.4544 8.8367 8.8367 8.8714 8.8714 k = 0.6933-0.4039 0.5153 ( 5822 PWs) bands (ev): -20.7031 -20.7031 -20.6832 -20.6832 -20.1875 -20.1875 -7.4285 -7.4285 -7.3626 -7.3626 -6.8891 -6.8891 -5.5771 -5.5771 -5.5163 -5.5163 -5.2880 -5.2880 -5.1996 -5.1996 -4.9818 -4.9818 -4.7513 -4.7513 -0.8092 -0.8092 -0.7962 -0.7962 3.2068 3.2068 4.6873 4.6873 4.9069 4.9069 5.8603 5.8603 5.9791 5.9791 6.2440 6.2440 6.6218 6.6218 7.1174 7.1174 8.1623 8.1623 8.4014 8.4014 8.7749 8.7749 8.8486 8.8486 k = 0.6852-0.3800 0.4938 ( 5820 PWs) bands (ev): -20.7046 -20.7046 -20.6820 -20.6820 -20.1877 -20.1877 -7.4309 -7.4309 -7.3571 -7.3571 -6.8879 -6.8879 -5.5785 -5.5785 -5.5090 -5.5090 -5.2902 -5.2902 -5.1972 -5.1972 -4.9789 -4.9789 -4.7520 -4.7520 -0.8235 -0.8235 -0.8061 -0.8061 3.1743 3.1743 4.6691 4.6691 4.9623 4.9623 5.9000 5.9000 5.9965 5.9965 6.2473 6.2473 6.6691 6.6691 7.1031 7.1031 8.1719 8.1719 8.3490 8.3490 8.7119 8.7119 8.8202 8.8202 k = 0.6771-0.3561 0.4724 ( 5832 PWs) bands (ev): -20.7060 -20.7060 -20.6807 -20.6807 -20.1878 -20.1878 -7.4332 -7.4332 -7.3516 -7.3516 -6.8865 -6.8865 -5.5795 -5.5795 -5.5016 -5.5016 -5.2920 -5.2920 -5.1950 -5.1950 -4.9755 -4.9755 -4.7527 -4.7527 -0.8402 -0.8402 -0.8161 -0.8161 3.1397 3.1397 4.6544 4.6544 5.0215 5.0215 5.9381 5.9381 6.0152 6.0152 6.2517 6.2517 6.7191 6.7191 7.0896 7.0896 8.1799 8.1799 8.2979 8.2979 8.6489 8.6489 8.7873 8.7873 k = 0.6691-0.3323 0.4509 ( 5828 PWs) bands (ev): -20.7075 -20.7075 -20.6796 -20.6796 -20.1879 -20.1879 -7.4352 -7.4352 -7.3460 -7.3460 -6.8851 -6.8851 -5.5800 -5.5800 -5.4942 -5.4942 -5.2935 -5.2935 -5.1932 -5.1932 -4.9718 -4.9718 -4.7534 -4.7534 -0.8588 -0.8588 -0.8264 -0.8264 3.1037 3.1037 4.6434 4.6434 5.0841 5.0841 5.9740 5.9740 6.0352 6.0352 6.2573 6.2573 6.7696 6.7696 7.0781 7.0781 8.1854 8.1854 8.2492 8.2492 8.5869 8.5869 8.7516 8.7516 k = 0.6610-0.3084 0.4294 ( 5822 PWs) bands (ev): -20.7089 -20.7089 -20.6784 -20.6784 -20.1881 -20.1881 -7.4371 -7.4371 -7.3404 -7.3404 -6.8835 -6.8835 -5.5802 -5.5802 -5.4868 -5.4868 -5.2947 -5.2947 -5.1915 -5.1915 -4.9678 -4.9678 -4.7540 -4.7540 -0.8788 -0.8788 -0.8373 -0.8373 3.0667 3.0667 4.6363 4.6363 5.1499 5.1499 6.0072 6.0072 6.0563 6.0563 6.2639 6.2639 6.8176 6.8176 7.0708 7.0708 8.1831 8.1831 8.2083 8.2083 8.5267 8.5267 8.7148 8.7148 k = 0.6530-0.2846 0.4079 ( 5820 PWs) bands (ev): -20.7103 -20.7103 -20.6774 -20.6774 -20.1882 -20.1882 -7.4387 -7.4387 -7.3348 -7.3348 -6.8819 -6.8819 -5.5801 -5.5801 -5.4796 -5.4796 -5.2954 -5.2954 -5.1901 -5.1901 -4.9636 -4.9636 -4.7547 -4.7547 -0.8999 -0.8999 -0.8488 -0.8488 3.0290 3.0290 4.6331 4.6331 5.2184 5.2184 6.0372 6.0372 6.0784 6.0784 6.2715 6.2715 6.8582 6.8582 7.0711 7.0711 8.1516 8.1516 8.1964 8.1964 8.4691 8.4691 8.6787 8.6787 k = 0.6449-0.2607 0.3865 ( 5816 PWs) bands (ev): -20.7116 -20.7116 -20.6763 -20.6763 -20.1884 -20.1884 -7.4401 -7.4401 -7.3293 -7.3293 -6.8802 -6.8802 -5.5796 -5.5796 -5.4724 -5.4724 -5.2958 -5.2958 -5.1888 -5.1888 -4.9592 -4.9592 -4.7552 -4.7552 -0.9217 -0.9217 -0.8608 -0.8608 2.9910 2.9910 4.6337 4.6337 5.2894 5.2894 6.0636 6.0636 6.1015 6.1015 6.2799 6.2799 6.8855 6.8855 7.0835 7.0835 8.1130 8.1130 8.1909 8.1909 8.4151 8.4151 8.6454 8.6454 k = 0.6369-0.2369 0.3650 ( 5822 PWs) bands (ev): -20.7130 -20.7130 -20.6754 -20.6754 -20.1886 -20.1886 -7.4414 -7.4414 -7.3239 -7.3239 -6.8785 -6.8785 -5.5789 -5.5789 -5.4655 -5.4655 -5.2959 -5.2959 -5.1877 -5.1877 -4.9547 -4.9547 -4.7557 -4.7557 -0.9441 -0.9441 -0.8734 -0.8734 2.9532 2.9532 4.6382 4.6382 5.3625 5.3625 6.0861 6.0861 6.1252 6.1252 6.2889 6.2889 6.8968 6.8968 7.1087 7.1087 8.0778 8.0778 8.1803 8.1803 8.3661 8.3661 8.6171 8.6171 k = 0.6288-0.2130 0.3435 ( 5818 PWs) bands (ev): -20.7142 -20.7142 -20.6744 -20.6744 -20.1887 -20.1887 -7.4425 -7.4425 -7.3186 -7.3186 -6.8768 -6.8768 -5.5780 -5.5780 -5.4587 -5.4587 -5.2957 -5.2957 -5.1866 -5.1866 -4.9501 -4.9501 -4.7561 -4.7561 -0.9667 -0.9667 -0.8863 -0.8863 2.9159 2.9159 4.6465 4.6465 5.4373 5.4373 6.1044 6.1044 6.1493 6.1493 6.2985 6.2985 6.8955 6.8955 7.1413 7.1413 8.0469 8.0469 8.1624 8.1624 8.3238 8.3238 8.5954 8.5954 k = 0.6208-0.1891 0.3221 ( 5812 PWs) bands (ev): -20.7154 -20.7154 -20.6736 -20.6736 -20.1889 -20.1889 -7.4435 -7.4435 -7.3134 -7.3134 -6.8750 -6.8750 -5.5770 -5.5770 -5.4521 -5.4521 -5.2953 -5.2953 -5.1855 -5.1855 -4.9455 -4.9455 -4.7565 -4.7565 -0.9893 -0.9893 -0.8995 -0.8995 2.8794 2.8794 4.6583 4.6583 5.5136 5.5136 6.1185 6.1185 6.1735 6.1735 6.3084 6.3084 6.8869 6.8869 7.1740 7.1740 8.0195 8.0195 8.1370 8.1370 8.2914 8.2914 8.5810 8.5810 k = 0.6127-0.1653 0.3006 ( 5792 PWs) bands (ev): -20.7166 -20.7166 -20.6727 -20.6727 -20.1891 -20.1891 -7.4443 -7.4443 -7.3085 -7.3085 -6.8732 -6.8732 -5.5759 -5.5759 -5.4457 -5.4457 -5.2949 -5.2949 -5.1843 -5.1843 -4.9410 -4.9410 -4.7567 -4.7567 -1.0117 -1.0117 -0.9128 -0.9128 2.8439 2.8439 4.6735 4.6735 5.5909 5.5909 6.1285 6.1285 6.1976 6.1976 6.3184 6.3184 6.8744 6.8744 7.2015 7.2015 7.9929 7.9929 8.1045 8.1045 8.2732 8.2732 8.5732 8.5732 k = 0.6047-0.1414 0.2791 ( 5798 PWs) bands (ev): -20.7177 -20.7177 -20.6720 -20.6720 -20.1892 -20.1892 -7.4451 -7.4451 -7.3037 -7.3037 -6.8715 -6.8715 -5.5747 -5.5747 -5.4394 -5.4394 -5.2946 -5.2946 -5.1829 -5.1829 -4.9367 -4.9367 -4.7568 -4.7568 -1.0337 -1.0337 -0.9261 -0.9261 2.8098 2.8098 4.6918 4.6918 5.6688 5.6688 6.1343 6.1343 6.2214 6.2214 6.3284 6.3284 6.8599 6.8599 7.2209 7.2209 7.9639 7.9639 8.0665 8.0665 8.2736 8.2736 8.5706 8.5706 k = 0.5966-0.1176 0.2576 ( 5800 PWs) bands (ev): -20.7187 -20.7187 -20.6713 -20.6713 -20.1894 -20.1894 -7.4457 -7.4457 -7.2991 -7.2991 -6.8698 -6.8698 -5.5735 -5.5735 -5.4333 -5.4333 -5.2944 -5.2944 -5.1814 -5.1814 -4.9326 -4.9326 -4.7567 -4.7567 -1.0550 -1.0550 -0.9393 -0.9393 2.7773 2.7773 4.7129 4.7129 5.7469 5.7469 6.1361 6.1361 6.2447 6.2447 6.3382 6.3382 6.8446 6.8446 7.2312 7.2312 7.9305 7.9305 8.0246 8.0246 8.2944 8.2944 8.5714 8.5714 k = 0.5886-0.0937 0.2362 ( 5812 PWs) bands (ev): -20.7197 -20.7197 -20.6706 -20.6706 -20.1896 -20.1896 -7.4462 -7.4462 -7.2949 -7.2949 -6.8682 -6.8682 -5.5723 -5.5723 -5.4272 -5.4272 -5.2946 -5.2946 -5.1796 -5.1796 -4.9287 -4.9287 -4.7566 -4.7566 -1.0755 -1.0755 -0.9521 -0.9521 2.7466 2.7466 4.7363 4.7363 5.8246 5.8246 6.1339 6.1339 6.2673 6.2673 6.3477 6.3477 6.8290 6.8290 7.2329 7.2329 7.8928 7.8928 7.9804 7.9804 8.3343 8.3343 8.5740 8.5740 k = 0.5805-0.0698 0.2147 ( 5820 PWs) bands (ev): -20.7206 -20.7206 -20.6700 -20.6700 -20.1897 -20.1897 -7.4466 -7.4466 -7.2909 -7.2909 -6.8667 -6.8667 -5.5712 -5.5712 -5.4213 -5.4213 -5.2952 -5.2952 -5.1776 -5.1776 -4.9251 -4.9251 -4.7563 -4.7563 -1.0948 -1.0948 -0.9645 -0.9645 2.7179 2.7179 4.7617 4.7617 5.9014 5.9014 6.1282 6.1282 6.2889 6.2889 6.3567 6.3567 6.8137 6.8137 7.2275 7.2275 7.8523 7.8523 7.9357 7.9357 8.3898 8.3898 8.5769 8.5769 k = 0.5725-0.0460 0.1932 ( 5840 PWs) bands (ev): -20.7214 -20.7214 -20.6695 -20.6695 -20.1899 -20.1899 -7.4470 -7.4470 -7.2872 -7.2872 -6.8653 -6.8653 -5.5702 -5.5702 -5.4154 -5.4154 -5.2963 -5.2963 -5.1754 -5.1754 -4.9218 -4.9218 -4.7559 -4.7559 -1.1130 -1.1130 -0.9763 -0.9763 2.6914 2.6914 4.7884 4.7884 5.9767 5.9767 6.1194 6.1194 6.3094 6.3094 6.3653 6.3653 6.7990 6.7990 7.2167 7.2167 7.8106 7.8106 7.8919 7.8919 8.4569 8.4569 8.5796 8.5796 k = 0.5644-0.0221 0.1718 ( 5842 PWs) bands (ev): -20.7222 -20.7222 -20.6690 -20.6690 -20.1900 -20.1900 -7.4473 -7.4473 -7.2838 -7.2838 -6.8639 -6.8639 -5.5693 -5.5693 -5.4095 -5.4095 -5.2979 -5.2979 -5.1730 -5.1730 -4.9189 -4.9189 -4.7554 -4.7554 -1.1297 -1.1297 -0.9874 -0.9874 2.6672 2.6672 4.8159 4.8159 6.0493 6.0493 6.1081 6.1081 6.3286 6.3286 6.3734 6.3734 6.7850 6.7850 7.2021 7.2021 7.7690 7.7690 7.8501 7.8501 8.5315 8.5315 8.5820 8.5820 k = 0.5564 0.0017 0.1503 ( 5838 PWs) bands (ev): -20.7228 -20.7228 -20.6686 -20.6686 -20.1901 -20.1901 -7.4475 -7.4475 -7.2808 -7.2808 -6.8627 -6.8627 -5.5685 -5.5685 -5.4038 -5.4038 -5.2999 -5.2999 -5.1705 -5.1705 -4.9164 -4.9164 -4.7549 -4.7549 -1.1448 -1.1448 -0.9975 -0.9975 2.6456 2.6456 4.8435 4.8435 6.0925 6.0925 6.1212 6.1212 6.3465 6.3465 6.3807 6.3807 6.7722 6.7722 7.1849 7.1849 7.7286 7.7286 7.8112 7.8112 8.5802 8.5802 8.6141 8.6141 k = 0.5483 0.0256 0.1288 ( 5834 PWs) bands (ev): -20.7234 -20.7234 -20.6682 -20.6682 -20.1902 -20.1902 -7.4477 -7.4477 -7.2781 -7.2781 -6.8617 -6.8617 -5.5678 -5.5678 -5.3982 -5.3982 -5.3023 -5.3023 -5.1681 -5.1681 -4.9142 -4.9142 -4.7544 -4.7544 -1.1582 -1.1582 -1.0065 -1.0065 2.6266 2.6266 4.8702 4.8702 6.0787 6.0787 6.1856 6.1856 6.3628 6.3628 6.3874 6.3874 6.7606 6.7606 7.1664 7.1664 7.6906 7.6906 7.7763 7.7763 8.5813 8.5813 8.6946 8.6946 k = 0.5403 0.0495 0.1074 ( 5840 PWs) bands (ev): -20.7239 -20.7239 -20.6679 -20.6679 -20.1903 -20.1903 -7.4478 -7.4478 -7.2759 -7.2759 -6.8608 -6.8608 -5.5672 -5.5672 -5.3930 -5.3930 -5.3050 -5.3050 -5.1657 -5.1657 -4.9124 -4.9124 -4.7538 -4.7538 -1.1698 -1.1698 -1.0144 -1.0144 2.6104 2.6104 4.8952 4.8952 6.0638 6.0638 6.2448 6.2448 6.3778 6.3778 6.3933 6.3933 6.7505 6.7505 7.1474 7.1474 7.6558 7.6558 7.7457 7.7457 8.5810 8.5810 8.7743 8.7743 k = 0.5322 0.0733 0.0859 ( 5836 PWs) bands (ev): -20.7243 -20.7243 -20.6676 -20.6676 -20.1904 -20.1904 -7.4479 -7.4479 -7.2740 -7.2740 -6.8600 -6.8600 -5.5668 -5.5668 -5.3881 -5.3881 -5.3078 -5.3078 -5.1637 -5.1637 -4.9110 -4.9110 -4.7533 -4.7533 -1.1794 -1.1794 -1.0211 -1.0211 2.5969 2.5969 4.9175 4.9175 6.0495 6.0495 6.2958 6.2958 6.3914 6.3914 6.3990 6.3990 6.7421 6.7421 7.1290 7.1290 7.6255 7.6255 7.7201 7.7201 8.5801 8.5801 8.8491 8.8491 k = 0.5242 0.0972 0.0644 ( 5840 PWs) bands (ev): -20.7246 -20.7246 -20.6674 -20.6674 -20.1904 -20.1904 -7.4480 -7.4480 -7.2725 -7.2725 -6.8594 -6.8594 -5.5664 -5.5664 -5.3838 -5.3838 -5.3105 -5.3105 -5.1620 -5.1620 -4.9098 -4.9098 -4.7529 -4.7529 -1.1869 -1.1869 -1.0263 -1.0263 2.5864 2.5864 4.9362 4.9362 6.0370 6.0370 6.3355 6.3355 6.3999 6.3999 6.4094 6.4094 6.7353 6.7353 7.1123 7.1123 7.6007 7.6007 7.6999 7.6999 8.5792 8.5792 8.9147 8.9147 k = 0.5161 0.1210 0.0429 ( 5832 PWs) bands (ev): -20.7248 -20.7248 -20.6673 -20.6673 -20.1905 -20.1905 -7.4481 -7.4481 -7.2715 -7.2715 -6.8590 -6.8590 -5.5662 -5.5662 -5.3805 -5.3805 -5.3127 -5.3127 -5.1607 -5.1607 -4.9091 -4.9091 -4.7525 -4.7525 -1.1924 -1.1924 -1.0301 -1.0301 2.5788 2.5788 4.9503 4.9503 6.0272 6.0272 6.3611 6.3611 6.4033 6.4033 6.4245 6.4245 6.7304 6.7304 7.0987 7.0987 7.5822 7.5822 7.6853 7.6853 8.5784 8.5784 8.9666 8.9666 k = 0.5081 0.1449 0.0215 ( 5844 PWs) bands (ev): -20.7250 -20.7250 -20.6672 -20.6672 -20.1905 -20.1905 -7.4481 -7.4481 -7.2708 -7.2708 -6.8587 -6.8587 -5.5661 -5.5661 -5.3783 -5.3783 -5.3142 -5.3142 -5.1599 -5.1599 -4.9086 -4.9086 -4.7523 -4.7523 -1.1957 -1.1957 -1.0324 -1.0324 2.5743 2.5743 4.9592 4.9592 6.0210 6.0210 6.3740 6.3740 6.4051 6.4051 6.4375 6.4375 6.7275 6.7275 7.0897 7.0897 7.5708 7.5708 7.6764 7.6764 8.5778 8.5778 9.0001 9.0001 k = 0.5000 0.1687-0.0000 ( 5838 PWs) bands (ev): -20.7250 -20.7250 -20.6671 -20.6671 -20.1905 -20.1905 -7.4481 -7.4481 -7.2706 -7.2706 -6.8586 -6.8586 -5.5660 -5.5660 -5.3776 -5.3776 -5.3148 -5.3148 -5.1596 -5.1596 -4.9085 -4.9085 -4.7523 -4.7523 -1.1968 -1.1968 -1.0332 -1.0332 2.5728 2.5728 4.9622 4.9622 6.0189 6.0189 6.3778 6.3778 6.4057 6.4057 6.4425 6.4425 6.7265 6.7265 7.0865 7.0865 7.5669 7.5669 7.6735 7.6735 8.5776 8.5776 9.0118 9.0118 Writing output data file Ba3xAlGex2.save init_run : 0.51s CPU 0.73s WALL ( 1 calls) electrons : 473.71s CPU 477.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 473.70s CPU 477.66s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.11s WALL ( 325 calls) cegterg : 430.87s CPU 433.40s WALL ( 485 calls) Called by sum_band: Called by *egterg: h_psi : 378.28s CPU 380.17s WALL ( 7817 calls) s_psi : 9.60s CPU 9.63s WALL ( 7817 calls) g_psi : 0.30s CPU 0.35s WALL ( 7007 calls) cdiaghg : 56.66s CPU 57.28s WALL ( 7332 calls) cegterg:over : 8.78s CPU 8.80s WALL ( 7007 calls) cegterg:upda : 7.90s CPU 8.09s WALL ( 7007 calls) cegterg:last : 4.10s CPU 4.09s WALL ( 1341 calls) cdiaghg:chol : 3.31s CPU 3.32s WALL ( 7332 calls) cdiaghg:inve : 2.28s CPU 2.18s WALL ( 7332 calls) cdiaghg:para : 3.93s CPU 3.70s WALL ( 14664 calls) Called by h_psi: h_psi:vloc : 357.85s CPU 359.74s WALL ( 7817 calls) h_psi:vnl : 20.02s CPU 20.07s WALL ( 7817 calls) add_vuspsi : 10.50s CPU 10.51s WALL ( 7817 calls) General routines calbec : 9.49s CPU 9.54s WALL ( 7817 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 335.97s CPU 337.77s WALL ( 840632 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 1.05s WALL ( 650 calls) Parallel routines fft_scatter : 72.28s CPU 72.95s WALL ( 840655 calls) PWSCF : 8m13.73s CPU 8m40.14s WALL This run was terminated on: 19:31:57 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=