Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 3:40 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Li2GePbS4.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 116 116 31 4367 4367 619 Max 117 117 32 4370 4370 623 Sum 4191 4191 1141 157251 157251 22385 bravais-lattice index = 14 lattice parameter (alat) = 11.3896 a.u. unit-cell volume = 1113.9351 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.389643 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.414452 celldm(5)= -0.414452 celldm(6)= -0.171096 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.171096 0.985254 0.000000 ) a(3) = ( -0.414452 -0.492627 0.765211 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.173656 0.653415 ) b(2) = ( 0.000000 1.014966 0.653415 ) b(3) = ( 0.000000 0.000000 1.306829 ) 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) S 6.00 32.06500 S( 1.00) Pb 14.00 207.20000 Pb( 1.00) Li 3.00 6.94100 Li( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0186690), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0373380), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0560070), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0746760), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0933449), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.1120139), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1306829), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1493519), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1680209), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1866899), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.2053589), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.2240279), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.2426969), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.2613658), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.2800348), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.2987038), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.3173728), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.3360418), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.3547108), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.3733798), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.3920488), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.4107178), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.4293867), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.4480557), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.4667247), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.4853937), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.5040627), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.5227317), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.5414007), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.5600697), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.5787387), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.5974076), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.6160766), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.6347456), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.6534146), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.6534146), wk = 0.0035088 k( 38) = ( -0.0141282 0.0118862 0.6534146), wk = 0.0035088 k( 39) = ( -0.0282565 0.0237724 0.6534146), wk = 0.0035088 k( 40) = ( -0.0423847 0.0356587 0.6534146), wk = 0.0035088 k( 41) = ( -0.0565129 0.0475449 0.6534146), wk = 0.0035088 k( 42) = ( -0.0706412 0.0594311 0.6534146), wk = 0.0035088 k( 43) = ( -0.0847694 0.0713173 0.6534146), wk = 0.0035088 k( 44) = ( -0.0988976 0.0832036 0.6534146), wk = 0.0035088 k( 45) = ( -0.1130259 0.0950898 0.6534146), wk = 0.0035088 k( 46) = ( -0.1271541 0.1069760 0.6534146), wk = 0.0035088 k( 47) = ( -0.1412823 0.1188622 0.6534146), wk = 0.0035088 k( 48) = ( -0.1554106 0.1307485 0.6534146), wk = 0.0035088 k( 49) = ( -0.1695388 0.1426347 0.6534146), wk = 0.0035088 k( 50) = ( -0.1836670 0.1545209 0.6534146), wk = 0.0035088 k( 51) = ( -0.1977953 0.1664071 0.6534146), wk = 0.0035088 k( 52) = ( -0.2119235 0.1782934 0.6534146), wk = 0.0035088 k( 53) = ( -0.2260517 0.1901796 0.6534146), wk = 0.0035088 k( 54) = ( -0.2401800 0.2020658 0.6534146), wk = 0.0035088 k( 55) = ( -0.2543082 0.2139520 0.6534146), wk = 0.0035088 k( 56) = ( -0.2684364 0.2258383 0.6534146), wk = 0.0035088 k( 57) = ( -0.2825646 0.2377245 0.6534146), wk = 0.0035088 k( 58) = ( -0.2966929 0.2496107 0.6534146), wk = 0.0035088 k( 59) = ( -0.3108211 0.2614969 0.6534146), wk = 0.0035088 k( 60) = ( -0.3249494 0.2733832 0.6534146), wk = 0.0035088 k( 61) = ( -0.3390776 0.2852694 0.6534146), wk = 0.0035088 k( 62) = ( -0.3532058 0.2971556 0.6534146), wk = 0.0035088 k( 63) = ( -0.3532058 0.2971556 0.6534146), wk = 0.0035088 k( 64) = ( -0.3623805 0.3048743 0.6414249), wk = 0.0035088 k( 65) = ( -0.3715551 0.3125930 0.6294352), wk = 0.0035088 k( 66) = ( -0.3807297 0.3203117 0.6174456), wk = 0.0035088 k( 67) = ( -0.3899044 0.3280305 0.6054559), wk = 0.0035088 k( 68) = ( -0.3990790 0.3357492 0.5934662), wk = 0.0035088 k( 69) = ( -0.4082536 0.3434679 0.5814765), wk = 0.0035088 k( 70) = ( -0.4174283 0.3511866 0.5694868), wk = 0.0035088 k( 71) = ( -0.4266029 0.3589053 0.5574972), wk = 0.0035088 k( 72) = ( -0.4266029 0.3589053 0.5574972), wk = 0.0035088 k( 73) = ( -0.4164457 0.3503599 0.5442234), wk = 0.0035088 k( 74) = ( -0.4062885 0.3418146 0.5309497), wk = 0.0035088 k( 75) = ( -0.3961313 0.3332692 0.5176759), wk = 0.0035088 k( 76) = ( -0.3859741 0.3247239 0.5044022), wk = 0.0035088 k( 77) = ( -0.3758168 0.3161785 0.4911284), wk = 0.0035088 k( 78) = ( -0.3656596 0.3076331 0.4778547), wk = 0.0035088 k( 79) = ( -0.3555024 0.2990878 0.4645810), wk = 0.0035088 k( 80) = ( -0.3453452 0.2905424 0.4513072), wk = 0.0035088 k( 81) = ( -0.3351880 0.2819970 0.4380335), wk = 0.0035088 k( 82) = ( -0.3250308 0.2734517 0.4247597), wk = 0.0035088 k( 83) = ( -0.3148736 0.2649063 0.4114860), wk = 0.0035088 k( 84) = ( -0.3047164 0.2563609 0.3982122), wk = 0.0035088 k( 85) = ( -0.2945591 0.2478156 0.3849385), wk = 0.0035088 k( 86) = ( -0.2844019 0.2392702 0.3716648), wk = 0.0035088 k( 87) = ( -0.2742447 0.2307249 0.3583910), wk = 0.0035088 k( 88) = ( -0.2640875 0.2221795 0.3451173), wk = 0.0035088 k( 89) = ( -0.2539303 0.2136341 0.3318435), wk = 0.0035088 k( 90) = ( -0.2437731 0.2050888 0.3185698), wk = 0.0035088 k( 91) = ( -0.2336159 0.1965434 0.3052961), wk = 0.0035088 k( 92) = ( -0.2234587 0.1879980 0.2920223), wk = 0.0035088 k( 93) = ( -0.2133015 0.1794527 0.2787486), wk = 0.0035088 k( 94) = ( -0.2031442 0.1709073 0.2654748), wk = 0.0035088 k( 95) = ( -0.1929870 0.1623619 0.2522011), wk = 0.0035088 k( 96) = ( -0.1828298 0.1538166 0.2389274), wk = 0.0035088 k( 97) = ( -0.1726726 0.1452712 0.2256536), wk = 0.0035088 k( 98) = ( -0.1625154 0.1367258 0.2123799), wk = 0.0035088 k( 99) = ( -0.1523582 0.1281805 0.1991061), wk = 0.0035088 k( 100) = ( -0.1422010 0.1196351 0.1858324), wk = 0.0035088 k( 101) = ( -0.1320438 0.1110897 0.1725586), wk = 0.0035088 k( 102) = ( -0.1218865 0.1025444 0.1592849), wk = 0.0035088 k( 103) = ( -0.1117293 0.0939990 0.1460112), wk = 0.0035088 k( 104) = ( -0.1015721 0.0854536 0.1327374), wk = 0.0035088 k( 105) = ( -0.0914149 0.0769083 0.1194637), wk = 0.0035088 k( 106) = ( -0.0812577 0.0683629 0.1061899), wk = 0.0035088 k( 107) = ( -0.0711005 0.0598175 0.0929162), wk = 0.0035088 k( 108) = ( -0.0609433 0.0512722 0.0796424), wk = 0.0035088 k( 109) = ( -0.0507861 0.0427268 0.0663687), wk = 0.0035088 k( 110) = ( -0.0406289 0.0341815 0.0530950), wk = 0.0035088 k( 111) = ( -0.0304716 0.0256361 0.0398212), wk = 0.0035088 k( 112) = ( -0.0203144 0.0170907 0.0265475), wk = 0.0035088 k( 113) = ( -0.0101572 0.0085454 0.0132737), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0121951 0.0144954 0.0000000), wk = 0.0035088 k( 117) = ( 0.0243902 0.0289908 0.0000000), wk = 0.0035088 k( 118) = ( 0.0365854 0.0434862 0.0000000), wk = 0.0035088 k( 119) = ( 0.0487805 0.0579816 0.0000000), wk = 0.0035088 k( 120) = ( 0.0609756 0.0724770 0.0000000), wk = 0.0035088 k( 121) = ( 0.0731707 0.0869724 0.0000000), wk = 0.0035088 k( 122) = ( 0.0853658 0.1014678 0.0000000), wk = 0.0035088 k( 123) = ( 0.0975610 0.1159632 0.0000000), wk = 0.0035088 k( 124) = ( 0.1097561 0.1304586 0.0000000), wk = 0.0035088 k( 125) = ( 0.1219512 0.1449540 0.0000000), wk = 0.0035088 k( 126) = ( 0.1341463 0.1594493 0.0000000), wk = 0.0035088 k( 127) = ( 0.1463415 0.1739447 0.0000000), wk = 0.0035088 k( 128) = ( 0.1585366 0.1884401 0.0000000), wk = 0.0035088 k( 129) = ( 0.1707317 0.2029355 0.0000000), wk = 0.0035088 k( 130) = ( 0.1829268 0.2174309 0.0000000), wk = 0.0035088 k( 131) = ( 0.1951219 0.2319263 0.0000000), wk = 0.0035088 k( 132) = ( 0.2073171 0.2464217 0.0000000), wk = 0.0035088 k( 133) = ( 0.2195122 0.2609171 0.0000000), wk = 0.0035088 k( 134) = ( 0.2317073 0.2754125 0.0000000), wk = 0.0035088 k( 135) = ( 0.2439024 0.2899079 0.0000000), wk = 0.0035088 k( 136) = ( 0.2560976 0.3044033 0.0000000), wk = 0.0035088 k( 137) = ( 0.2682927 0.3188987 0.0000000), wk = 0.0035088 k( 138) = ( 0.2804878 0.3333941 0.0000000), wk = 0.0035088 k( 139) = ( 0.2926829 0.3478895 0.0000000), wk = 0.0035088 k( 140) = ( 0.3048781 0.3623849 0.0000000), wk = 0.0035088 k( 141) = ( 0.3170732 0.3768803 0.0000000), wk = 0.0035088 k( 142) = ( 0.3292683 0.3913757 0.0000000), wk = 0.0035088 k( 143) = ( 0.3414634 0.4058711 0.0000000), wk = 0.0035088 k( 144) = ( 0.3536585 0.4203665 0.0000000), wk = 0.0035088 k( 145) = ( 0.3658537 0.4348619 0.0000000), wk = 0.0035088 k( 146) = ( 0.3780488 0.4493573 0.0000000), wk = 0.0035088 k( 147) = ( 0.3902439 0.4638526 0.0000000), wk = 0.0035088 k( 148) = ( 0.4024390 0.4783480 0.0000000), wk = 0.0035088 k( 149) = ( 0.4146341 0.4928434 0.0000000), wk = 0.0035088 k( 150) = ( 0.4268293 0.5073388 0.0000000), wk = 0.0035088 k( 151) = ( 0.4390244 0.5218342 0.0000000), wk = 0.0035088 k( 152) = ( 0.4512195 0.5363296 0.0000000), wk = 0.0035088 k( 153) = ( 0.4634146 0.5508250 0.0000000), wk = 0.0035088 k( 154) = ( 0.4756098 0.5653204 0.0000000), wk = 0.0035088 k( 155) = ( 0.4878049 0.5798158 0.0000000), wk = 0.0035088 k( 156) = ( 0.5000000 0.5943112 0.0000000), wk = 0.0035088 k( 157) = ( 0.5000000 0.5943112 0.0000000), wk = 0.0035088 k( 158) = ( 0.4908254 0.6020299 0.0119897), wk = 0.0035088 k( 159) = ( 0.4816507 0.6097486 0.0239794), wk = 0.0035088 k( 160) = ( 0.4724761 0.6174674 0.0359690), wk = 0.0035088 k( 161) = ( 0.4633015 0.6251861 0.0479587), wk = 0.0035088 k( 162) = ( 0.4541268 0.6329048 0.0599484), wk = 0.0035088 k( 163) = ( 0.4449522 0.6406235 0.0719381), wk = 0.0035088 k( 164) = ( 0.4357775 0.6483422 0.0839278), wk = 0.0035088 k( 165) = ( 0.4266029 0.6560609 0.0959175), wk = 0.0035088 k( 166) = ( 0.4266029 0.6560609 0.0959175), wk = 0.0035088 k( 167) = ( 0.4108028 0.6505580 0.1044652), wk = 0.0035088 k( 168) = ( 0.3950027 0.6450552 0.1130130), wk = 0.0035088 k( 169) = ( 0.3792026 0.6395523 0.1215608), wk = 0.0035088 k( 170) = ( 0.3634025 0.6340494 0.1301086), wk = 0.0035088 k( 171) = ( 0.3476024 0.6285465 0.1386563), wk = 0.0035088 k( 172) = ( 0.3318023 0.6230436 0.1472041), wk = 0.0035088 k( 173) = ( 0.3160021 0.6175408 0.1557519), wk = 0.0035088 k( 174) = ( 0.3002020 0.6120379 0.1642996), wk = 0.0035088 k( 175) = ( 0.2844019 0.6065350 0.1728474), wk = 0.0035088 k( 176) = ( 0.2686018 0.6010321 0.1813952), wk = 0.0035088 k( 177) = ( 0.2528017 0.5955292 0.1899430), wk = 0.0035088 k( 178) = ( 0.2370016 0.5900263 0.1984907), wk = 0.0035088 k( 179) = ( 0.2212015 0.5845235 0.2070385), wk = 0.0035088 k( 180) = ( 0.2054014 0.5790206 0.2155863), wk = 0.0035088 k( 181) = ( 0.1896013 0.5735177 0.2241340), wk = 0.0035088 k( 182) = ( 0.1738012 0.5680148 0.2326818), wk = 0.0035088 k( 183) = ( 0.1580011 0.5625119 0.2412296), wk = 0.0035088 k( 184) = ( 0.1422010 0.5570091 0.2497774), wk = 0.0035088 k( 185) = ( 0.1264009 0.5515062 0.2583251), wk = 0.0035088 k( 186) = ( 0.1106007 0.5460033 0.2668729), wk = 0.0035088 k( 187) = ( 0.0948007 0.5405004 0.2754207), wk = 0.0035088 k( 188) = ( 0.0790005 0.5349975 0.2839684), wk = 0.0035088 k( 189) = ( 0.0632004 0.5294946 0.2925162), wk = 0.0035088 k( 190) = ( 0.0474003 0.5239918 0.3010640), wk = 0.0035088 k( 191) = ( 0.0316002 0.5184889 0.3096118), wk = 0.0035088 k( 192) = ( 0.0158001 0.5129860 0.3181595), wk = 0.0035088 k( 193) = ( 0.0000000 0.5074831 0.3267073), wk = 0.0035088 k( 194) = ( 0.0000000 0.5074831 0.3267073), wk = 0.0035088 k( 195) = ( 0.0100000 0.4990700 0.3397756), wk = 0.0035088 k( 196) = ( 0.0200000 0.4906569 0.3528439), wk = 0.0035088 k( 197) = ( 0.0300000 0.4822438 0.3659122), wk = 0.0035088 k( 198) = ( 0.0400000 0.4738307 0.3789805), wk = 0.0035088 k( 199) = ( 0.0500000 0.4654176 0.3920488), wk = 0.0035088 k( 200) = ( 0.0600000 0.4570045 0.4051171), wk = 0.0035088 k( 201) = ( 0.0700000 0.4485914 0.4181854), wk = 0.0035088 k( 202) = ( 0.0800000 0.4401783 0.4312536), wk = 0.0035088 k( 203) = ( 0.0900000 0.4317652 0.4443219), wk = 0.0035088 k( 204) = ( 0.1000000 0.4233521 0.4573902), wk = 0.0035088 k( 205) = ( 0.1100000 0.4149390 0.4704585), wk = 0.0035088 k( 206) = ( 0.1200000 0.4065259 0.4835268), wk = 0.0035088 k( 207) = ( 0.1300000 0.3981128 0.4965951), wk = 0.0035088 k( 208) = ( 0.1400000 0.3896997 0.5096634), wk = 0.0035088 k( 209) = ( 0.1500000 0.3812866 0.5227317), wk = 0.0035088 k( 210) = ( 0.1600000 0.3728735 0.5358000), wk = 0.0035088 k( 211) = ( 0.1700000 0.3644604 0.5488683), wk = 0.0035088 k( 212) = ( 0.1800000 0.3560473 0.5619366), wk = 0.0035088 k( 213) = ( 0.1900000 0.3476342 0.5750049), wk = 0.0035088 k( 214) = ( 0.2000000 0.3392211 0.5880732), wk = 0.0035088 k( 215) = ( 0.2100000 0.3308080 0.6011414), wk = 0.0035088 k( 216) = ( 0.2200000 0.3223949 0.6142097), wk = 0.0035088 k( 217) = ( 0.2300000 0.3139818 0.6272780), wk = 0.0035088 k( 218) = ( 0.2400000 0.3055687 0.6403463), wk = 0.0035088 k( 219) = ( 0.2500000 0.2971556 0.6534146), wk = 0.0035088 k( 220) = ( 0.2500000 0.2971556 0.6534146), wk = 0.0035088 k( 221) = ( 0.2578125 0.3064417 0.6389902), wk = 0.0035088 k( 222) = ( 0.2656250 0.3157278 0.6245659), wk = 0.0035088 k( 223) = ( 0.2734375 0.3250139 0.6101415), wk = 0.0035088 k( 224) = ( 0.2812500 0.3343001 0.5957171), wk = 0.0035088 k( 225) = ( 0.2890625 0.3435862 0.5812928), wk = 0.0035088 k( 226) = ( 0.2968750 0.3528723 0.5668684), wk = 0.0035088 k( 227) = ( 0.3046875 0.3621584 0.5524441), wk = 0.0035088 k( 228) = ( 0.3125000 0.3714445 0.5380197), wk = 0.0035088 k( 229) = ( 0.3203125 0.3807306 0.5235953), wk = 0.0035088 k( 230) = ( 0.3281250 0.3900167 0.5091710), wk = 0.0035088 k( 231) = ( 0.3359375 0.3993028 0.4947466), wk = 0.0035088 k( 232) = ( 0.3437500 0.4085890 0.4803222), wk = 0.0035088 k( 233) = ( 0.3515625 0.4178751 0.4658979), wk = 0.0035088 k( 234) = ( 0.3593750 0.4271612 0.4514735), wk = 0.0035088 k( 235) = ( 0.3671875 0.4364473 0.4370491), wk = 0.0035088 k( 236) = ( 0.3750000 0.4457334 0.4226248), wk = 0.0035088 k( 237) = ( 0.3828125 0.4550195 0.4082004), wk = 0.0035088 k( 238) = ( 0.3906250 0.4643056 0.3937760), wk = 0.0035088 k( 239) = ( 0.3984375 0.4735917 0.3793517), wk = 0.0035088 k( 240) = ( 0.4062500 0.4828779 0.3649273), wk = 0.0035088 k( 241) = ( 0.4140625 0.4921640 0.3505030), wk = 0.0035088 k( 242) = ( 0.4218750 0.5014501 0.3360786), wk = 0.0035088 k( 243) = ( 0.4296875 0.5107362 0.3216542), wk = 0.0035088 k( 244) = ( 0.4375000 0.5200223 0.3072299), wk = 0.0035088 k( 245) = ( 0.4453125 0.5293084 0.2928055), wk = 0.0035088 k( 246) = ( 0.4531250 0.5385945 0.2783811), wk = 0.0035088 k( 247) = ( 0.4609375 0.5478806 0.2639568), wk = 0.0035088 k( 248) = ( 0.4687500 0.5571668 0.2495324), wk = 0.0035088 k( 249) = ( 0.4765625 0.5664529 0.2351080), wk = 0.0035088 k( 250) = ( 0.4843750 0.5757390 0.2206837), wk = 0.0035088 k( 251) = ( 0.4921875 0.5850251 0.2062593), wk = 0.0035088 k( 252) = ( 0.5000000 0.5943112 0.1918349), wk = 0.0035088 k( 253) = ( 0.5000000 0.5943112 0.1918349), wk = 0.0035088 k( 254) = ( 0.5000000 0.5943112 0.1726514), wk = 0.0035088 k( 255) = ( 0.5000000 0.5943112 0.1534679), wk = 0.0035088 k( 256) = ( 0.5000000 0.5943112 0.1342845), wk = 0.0035088 k( 257) = ( 0.5000000 0.5943112 0.1151010), wk = 0.0035088 k( 258) = ( 0.5000000 0.5943112 0.0959175), wk = 0.0035088 k( 259) = ( 0.5000000 0.5943112 0.0767340), wk = 0.0035088 k( 260) = ( 0.5000000 0.5943112 0.0575505), wk = 0.0035088 k( 261) = ( 0.5000000 0.5943112 0.0383670), wk = 0.0035088 k( 262) = ( 0.5000000 0.5943112 0.0191835), wk = 0.0035088 k( 263) = ( 0.5000000 0.5943112 0.0000000), wk = 0.0035088 k( 264) = ( 0.0000000 0.0000000 0.6534146), wk = 0.0035088 k( 265) = ( 0.0119048 0.0141503 0.6534146), wk = 0.0035088 k( 266) = ( 0.0238095 0.0283005 0.6534146), wk = 0.0035088 k( 267) = ( 0.0357143 0.0424508 0.6534146), wk = 0.0035088 k( 268) = ( 0.0476191 0.0566011 0.6534146), wk = 0.0035088 k( 269) = ( 0.0595238 0.0707513 0.6534146), wk = 0.0035088 k( 270) = ( 0.0714286 0.0849016 0.6534146), wk = 0.0035088 k( 271) = ( 0.0833333 0.0990519 0.6534146), wk = 0.0035088 k( 272) = ( 0.0952381 0.1132021 0.6534146), wk = 0.0035088 k( 273) = ( 0.1071429 0.1273524 0.6534146), wk = 0.0035088 k( 274) = ( 0.1190476 0.1415027 0.6534146), wk = 0.0035088 k( 275) = ( 0.1309524 0.1556529 0.6534146), wk = 0.0035088 k( 276) = ( 0.1428571 0.1698032 0.6534146), wk = 0.0035088 k( 277) = ( 0.1547619 0.1839535 0.6534146), wk = 0.0035088 k( 278) = ( 0.1666667 0.1981037 0.6534146), wk = 0.0035088 k( 279) = ( 0.1785714 0.2122540 0.6534146), wk = 0.0035088 k( 280) = ( 0.1904762 0.2264043 0.6534146), wk = 0.0035088 k( 281) = ( 0.2023810 0.2405545 0.6534146), wk = 0.0035088 k( 282) = ( 0.2142857 0.2547048 0.6534146), wk = 0.0035088 k( 283) = ( 0.2261905 0.2688551 0.6534146), wk = 0.0035088 k( 284) = ( 0.2380952 0.2830053 0.6534146), wk = 0.0035088 k( 285) = ( 0.2500000 0.2971556 0.6534146), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 38) = ( -0.0141282 0.0141282 0.5000000), wk = 0.0035088 k( 39) = ( -0.0282565 0.0282565 0.5000000), wk = 0.0035088 k( 40) = ( -0.0423847 0.0423847 0.5000000), wk = 0.0035088 k( 41) = ( -0.0565129 0.0565129 0.5000000), wk = 0.0035088 k( 42) = ( -0.0706412 0.0706412 0.5000000), wk = 0.0035088 k( 43) = ( -0.0847694 0.0847694 0.5000000), wk = 0.0035088 k( 44) = ( -0.0988976 0.0988976 0.5000000), wk = 0.0035088 k( 45) = ( -0.1130259 0.1130259 0.5000000), wk = 0.0035088 k( 46) = ( -0.1271541 0.1271541 0.5000000), wk = 0.0035088 k( 47) = ( -0.1412823 0.1412823 0.5000000), wk = 0.0035088 k( 48) = ( -0.1554106 0.1554106 0.5000000), wk = 0.0035088 k( 49) = ( -0.1695388 0.1695388 0.5000000), wk = 0.0035088 k( 50) = ( -0.1836670 0.1836670 0.5000000), wk = 0.0035088 k( 51) = ( -0.1977953 0.1977953 0.5000000), wk = 0.0035088 k( 52) = ( -0.2119235 0.2119235 0.5000000), wk = 0.0035088 k( 53) = ( -0.2260517 0.2260517 0.5000000), wk = 0.0035088 k( 54) = ( -0.2401800 0.2401800 0.5000000), wk = 0.0035088 k( 55) = ( -0.2543082 0.2543082 0.5000000), wk = 0.0035088 k( 56) = ( -0.2684364 0.2684364 0.5000000), wk = 0.0035088 k( 57) = ( -0.2825646 0.2825646 0.5000000), wk = 0.0035088 k( 58) = ( -0.2966929 0.2966929 0.5000000), wk = 0.0035088 k( 59) = ( -0.3108211 0.3108211 0.5000000), wk = 0.0035088 k( 60) = ( -0.3249494 0.3249494 0.5000000), wk = 0.0035088 k( 61) = ( -0.3390776 0.3390776 0.5000000), wk = 0.0035088 k( 62) = ( -0.3532058 0.3532058 0.5000000), wk = 0.0035088 k( 63) = ( -0.3532058 0.3532058 0.5000000), wk = 0.0035088 k( 64) = ( -0.3623805 0.3623805 0.4908254), wk = 0.0035088 k( 65) = ( -0.3715551 0.3715551 0.4816507), wk = 0.0035088 k( 66) = ( -0.3807297 0.3807297 0.4724761), wk = 0.0035088 k( 67) = ( -0.3899044 0.3899044 0.4633014), wk = 0.0035088 k( 68) = ( -0.3990790 0.3990790 0.4541268), wk = 0.0035088 k( 69) = ( -0.4082536 0.4082536 0.4449522), wk = 0.0035088 k( 70) = ( -0.4174283 0.4174283 0.4357775), wk = 0.0035088 k( 71) = ( -0.4266029 0.4266029 0.4266029), wk = 0.0035088 k( 72) = ( -0.4266029 0.4266029 0.4266029), wk = 0.0035088 k( 73) = ( -0.4164457 0.4164457 0.4164457), wk = 0.0035088 k( 74) = ( -0.4062885 0.4062885 0.4062885), wk = 0.0035088 k( 75) = ( -0.3961313 0.3961313 0.3961313), wk = 0.0035088 k( 76) = ( -0.3859741 0.3859741 0.3859741), wk = 0.0035088 k( 77) = ( -0.3758168 0.3758169 0.3758168), wk = 0.0035088 k( 78) = ( -0.3656596 0.3656596 0.3656596), wk = 0.0035088 k( 79) = ( -0.3555024 0.3555024 0.3555024), wk = 0.0035088 k( 80) = ( -0.3453452 0.3453452 0.3453452), wk = 0.0035088 k( 81) = ( -0.3351880 0.3351880 0.3351880), wk = 0.0035088 k( 82) = ( -0.3250308 0.3250308 0.3250308), wk = 0.0035088 k( 83) = ( -0.3148736 0.3148736 0.3148736), wk = 0.0035088 k( 84) = ( -0.3047164 0.3047164 0.3047164), wk = 0.0035088 k( 85) = ( -0.2945591 0.2945592 0.2945591), wk = 0.0035088 k( 86) = ( -0.2844019 0.2844019 0.2844019), wk = 0.0035088 k( 87) = ( -0.2742447 0.2742447 0.2742447), wk = 0.0035088 k( 88) = ( -0.2640875 0.2640875 0.2640875), wk = 0.0035088 k( 89) = ( -0.2539303 0.2539303 0.2539303), wk = 0.0035088 k( 90) = ( -0.2437731 0.2437731 0.2437731), wk = 0.0035088 k( 91) = ( -0.2336159 0.2336159 0.2336159), wk = 0.0035088 k( 92) = ( -0.2234587 0.2234587 0.2234587), wk = 0.0035088 k( 93) = ( -0.2133015 0.2133015 0.2133014), wk = 0.0035088 k( 94) = ( -0.2031442 0.2031442 0.2031442), wk = 0.0035088 k( 95) = ( -0.1929870 0.1929870 0.1929870), wk = 0.0035088 k( 96) = ( -0.1828298 0.1828298 0.1828298), wk = 0.0035088 k( 97) = ( -0.1726726 0.1726726 0.1726726), wk = 0.0035088 k( 98) = ( -0.1625154 0.1625154 0.1625154), wk = 0.0035088 k( 99) = ( -0.1523582 0.1523582 0.1523582), wk = 0.0035088 k( 100) = ( -0.1422010 0.1422010 0.1422010), wk = 0.0035088 k( 101) = ( -0.1320438 0.1320438 0.1320438), wk = 0.0035088 k( 102) = ( -0.1218865 0.1218865 0.1218865), wk = 0.0035088 k( 103) = ( -0.1117293 0.1117293 0.1117293), wk = 0.0035088 k( 104) = ( -0.1015721 0.1015721 0.1015721), wk = 0.0035088 k( 105) = ( -0.0914149 0.0914149 0.0914149), wk = 0.0035088 k( 106) = ( -0.0812577 0.0812577 0.0812577), wk = 0.0035088 k( 107) = ( -0.0711005 0.0711005 0.0711005), wk = 0.0035088 k( 108) = ( -0.0609433 0.0609433 0.0609433), wk = 0.0035088 k( 109) = ( -0.0507861 0.0507861 0.0507861), wk = 0.0035088 k( 110) = ( -0.0406289 0.0406289 0.0406289), wk = 0.0035088 k( 111) = ( -0.0304716 0.0304716 0.0304716), wk = 0.0035088 k( 112) = ( -0.0203144 0.0203144 0.0203144), wk = 0.0035088 k( 113) = ( -0.0101572 0.0101572 0.0101572), wk = 0.0035088 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0121951 0.0121951 -0.0121951), wk = 0.0035088 k( 117) = ( 0.0243902 0.0243902 -0.0243902), wk = 0.0035088 k( 118) = ( 0.0365854 0.0365854 -0.0365854), wk = 0.0035088 k( 119) = ( 0.0487805 0.0487805 -0.0487805), wk = 0.0035088 k( 120) = ( 0.0609756 0.0609756 -0.0609756), wk = 0.0035088 k( 121) = ( 0.0731707 0.0731707 -0.0731707), wk = 0.0035088 k( 122) = ( 0.0853658 0.0853659 -0.0853658), wk = 0.0035088 k( 123) = ( 0.0975610 0.0975610 -0.0975610), wk = 0.0035088 k( 124) = ( 0.1097561 0.1097561 -0.1097561), wk = 0.0035088 k( 125) = ( 0.1219512 0.1219512 -0.1219512), wk = 0.0035088 k( 126) = ( 0.1341463 0.1341463 -0.1341463), wk = 0.0035088 k( 127) = ( 0.1463415 0.1463415 -0.1463415), wk = 0.0035088 k( 128) = ( 0.1585366 0.1585366 -0.1585366), wk = 0.0035088 k( 129) = ( 0.1707317 0.1707317 -0.1707317), wk = 0.0035088 k( 130) = ( 0.1829268 0.1829268 -0.1829268), wk = 0.0035088 k( 131) = ( 0.1951219 0.1951220 -0.1951219), wk = 0.0035088 k( 132) = ( 0.2073171 0.2073171 -0.2073171), wk = 0.0035088 k( 133) = ( 0.2195122 0.2195122 -0.2195122), wk = 0.0035088 k( 134) = ( 0.2317073 0.2317073 -0.2317073), wk = 0.0035088 k( 135) = ( 0.2439024 0.2439024 -0.2439024), wk = 0.0035088 k( 136) = ( 0.2560976 0.2560976 -0.2560976), wk = 0.0035088 k( 137) = ( 0.2682927 0.2682927 -0.2682927), wk = 0.0035088 k( 138) = ( 0.2804878 0.2804878 -0.2804878), wk = 0.0035088 k( 139) = ( 0.2926829 0.2926829 -0.2926829), wk = 0.0035088 k( 140) = ( 0.3048781 0.3048781 -0.3048781), wk = 0.0035088 k( 141) = ( 0.3170732 0.3170732 -0.3170732), wk = 0.0035088 k( 142) = ( 0.3292683 0.3292683 -0.3292683), wk = 0.0035088 k( 143) = ( 0.3414634 0.3414634 -0.3414634), wk = 0.0035088 k( 144) = ( 0.3536585 0.3536585 -0.3536585), wk = 0.0035088 k( 145) = ( 0.3658537 0.3658537 -0.3658537), wk = 0.0035088 k( 146) = ( 0.3780488 0.3780488 -0.3780488), wk = 0.0035088 k( 147) = ( 0.3902439 0.3902439 -0.3902439), wk = 0.0035088 k( 148) = ( 0.4024390 0.4024390 -0.4024390), wk = 0.0035088 k( 149) = ( 0.4146341 0.4146342 -0.4146342), wk = 0.0035088 k( 150) = ( 0.4268293 0.4268293 -0.4268293), wk = 0.0035088 k( 151) = ( 0.4390244 0.4390244 -0.4390244), wk = 0.0035088 k( 152) = ( 0.4512195 0.4512195 -0.4512195), wk = 0.0035088 k( 153) = ( 0.4634146 0.4634146 -0.4634146), wk = 0.0035088 k( 154) = ( 0.4756098 0.4756098 -0.4756098), wk = 0.0035088 k( 155) = ( 0.4878049 0.4878049 -0.4878049), wk = 0.0035088 k( 156) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 157) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 158) = ( 0.4908254 0.5091746 -0.4908254), wk = 0.0035088 k( 159) = ( 0.4816507 0.5183493 -0.4816507), wk = 0.0035088 k( 160) = ( 0.4724761 0.5275239 -0.4724761), wk = 0.0035088 k( 161) = ( 0.4633015 0.5366986 -0.4633015), wk = 0.0035088 k( 162) = ( 0.4541268 0.5458732 -0.4541268), wk = 0.0035088 k( 163) = ( 0.4449522 0.5550478 -0.4449522), wk = 0.0035088 k( 164) = ( 0.4357775 0.5642225 -0.4357775), wk = 0.0035088 k( 165) = ( 0.4266029 0.5733971 -0.4266029), wk = 0.0035088 k( 166) = ( 0.4266029 0.5733971 -0.4266029), wk = 0.0035088 k( 167) = ( 0.4108028 0.5706787 -0.4108028), wk = 0.0035088 k( 168) = ( 0.3950027 0.5679603 -0.3950027), wk = 0.0035088 k( 169) = ( 0.3792026 0.5652419 -0.3792026), wk = 0.0035088 k( 170) = ( 0.3634025 0.5625235 -0.3634025), wk = 0.0035088 k( 171) = ( 0.3476024 0.5598050 -0.3476024), wk = 0.0035088 k( 172) = ( 0.3318023 0.5570866 -0.3318023), wk = 0.0035088 k( 173) = ( 0.3160021 0.5543682 -0.3160022), wk = 0.0035088 k( 174) = ( 0.3002020 0.5516498 -0.3002021), wk = 0.0035088 k( 175) = ( 0.2844019 0.5489314 -0.2844019), wk = 0.0035088 k( 176) = ( 0.2686018 0.5462130 -0.2686018), wk = 0.0035088 k( 177) = ( 0.2528017 0.5434946 -0.2528017), wk = 0.0035088 k( 178) = ( 0.2370016 0.5407762 -0.2370016), wk = 0.0035088 k( 179) = ( 0.2212015 0.5380578 -0.2212015), wk = 0.0035088 k( 180) = ( 0.2054014 0.5353393 -0.2054014), wk = 0.0035088 k( 181) = ( 0.1896013 0.5326209 -0.1896013), wk = 0.0035088 k( 182) = ( 0.1738012 0.5299025 -0.1738012), wk = 0.0035088 k( 183) = ( 0.1580011 0.5271841 -0.1580011), wk = 0.0035088 k( 184) = ( 0.1422010 0.5244657 -0.1422010), wk = 0.0035088 k( 185) = ( 0.1264009 0.5217473 -0.1264009), wk = 0.0035088 k( 186) = ( 0.1106007 0.5190289 -0.1106008), wk = 0.0035088 k( 187) = ( 0.0948007 0.5163105 -0.0948007), wk = 0.0035088 k( 188) = ( 0.0790005 0.5135920 -0.0790005), wk = 0.0035088 k( 189) = ( 0.0632004 0.5108736 -0.0632004), wk = 0.0035088 k( 190) = ( 0.0474003 0.5081552 -0.0474003), wk = 0.0035088 k( 191) = ( 0.0316002 0.5054368 -0.0316002), wk = 0.0035088 k( 192) = ( 0.0158001 0.5027184 -0.0158001), wk = 0.0035088 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035088 k( 195) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0035088 k( 196) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0035088 k( 197) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0035088 k( 198) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0035088 k( 199) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0035088 k( 200) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0035088 k( 201) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0035088 k( 202) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0035088 k( 203) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0035088 k( 204) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0035088 k( 205) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0035088 k( 206) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0035088 k( 207) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0035088 k( 208) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0035088 k( 209) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0035088 k( 210) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0035088 k( 211) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0035088 k( 212) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0035088 k( 213) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0035088 k( 214) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0035088 k( 215) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0035088 k( 216) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0035088 k( 217) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0035088 k( 218) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0035088 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 221) = ( 0.2578125 0.2578125 0.2311498), wk = 0.0035088 k( 222) = ( 0.2656250 0.2656250 0.2122996), wk = 0.0035088 k( 223) = ( 0.2734375 0.2734375 0.1934495), wk = 0.0035088 k( 224) = ( 0.2812500 0.2812500 0.1745993), wk = 0.0035088 k( 225) = ( 0.2890625 0.2890625 0.1557491), wk = 0.0035088 k( 226) = ( 0.2968750 0.2968750 0.1368989), wk = 0.0035088 k( 227) = ( 0.3046875 0.3046875 0.1180487), wk = 0.0035088 k( 228) = ( 0.3125000 0.3125000 0.0991985), wk = 0.0035088 k( 229) = ( 0.3203125 0.3203125 0.0803484), wk = 0.0035088 k( 230) = ( 0.3281250 0.3281250 0.0614982), wk = 0.0035088 k( 231) = ( 0.3359375 0.3359375 0.0426480), wk = 0.0035088 k( 232) = ( 0.3437500 0.3437500 0.0237978), wk = 0.0035088 k( 233) = ( 0.3515625 0.3515625 0.0049476), wk = 0.0035088 k( 234) = ( 0.3593750 0.3593750 -0.0139025), wk = 0.0035088 k( 235) = ( 0.3671875 0.3671875 -0.0327527), wk = 0.0035088 k( 236) = ( 0.3750000 0.3750000 -0.0516029), wk = 0.0035088 k( 237) = ( 0.3828125 0.3828125 -0.0704531), wk = 0.0035088 k( 238) = ( 0.3906250 0.3906250 -0.0893033), wk = 0.0035088 k( 239) = ( 0.3984375 0.3984375 -0.1081534), wk = 0.0035088 k( 240) = ( 0.4062500 0.4062500 -0.1270036), wk = 0.0035088 k( 241) = ( 0.4140625 0.4140625 -0.1458538), wk = 0.0035088 k( 242) = ( 0.4218750 0.4218750 -0.1647040), wk = 0.0035088 k( 243) = ( 0.4296875 0.4296875 -0.1835542), wk = 0.0035088 k( 244) = ( 0.4375000 0.4375000 -0.2024044), wk = 0.0035088 k( 245) = ( 0.4453125 0.4453125 -0.2212545), wk = 0.0035088 k( 246) = ( 0.4531250 0.4531250 -0.2401047), wk = 0.0035088 k( 247) = ( 0.4609375 0.4609375 -0.2589549), wk = 0.0035088 k( 248) = ( 0.4687500 0.4687500 -0.2778051), wk = 0.0035088 k( 249) = ( 0.4765625 0.4765625 -0.2966553), wk = 0.0035088 k( 250) = ( 0.4843750 0.4843750 -0.3155055), wk = 0.0035088 k( 251) = ( 0.4921875 0.4921875 -0.3343556), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 -0.3532058), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 -0.3532058), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 -0.3678852), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 -0.3825647), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 -0.3972441), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 -0.4119235), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 -0.4266029), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.4412823), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 -0.4559617), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 -0.4706412), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 -0.4853206), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 265) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0035088 k( 266) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0035088 k( 267) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0035088 k( 268) = ( 0.0476191 0.0476191 0.4523810), wk = 0.0035088 k( 269) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0035088 k( 270) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0035088 k( 271) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035088 k( 272) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0035088 k( 273) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0035088 k( 274) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0035088 k( 275) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0035088 k( 276) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0035088 k( 277) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0035088 k( 278) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035088 k( 279) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0035088 k( 280) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0035088 k( 281) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0035088 k( 282) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0035088 k( 283) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0035088 k( 284) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0035088 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 Dense grid: 157251 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.97 Mb ( 1098, 58) NL pseudopotentials 1.78 Mb ( 549, 212) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 4370) G-vector shells 0.01 Mb ( 1961) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.89 Mb ( 1098, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.38 Mb ( 212, 2, 58) The potential is recalculated from file : ./Li2GePbS4.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 11.6 secs Computing kpt #: 5 total cpu time spent up to now is 13.3 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 16.9 secs Computing kpt #: 8 total cpu time spent up to now is 18.6 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.1 secs Computing kpt #: 11 total cpu time spent up to now is 23.9 secs Computing kpt #: 12 total cpu time spent up to now is 25.6 secs Computing kpt #: 13 total cpu time spent up to now is 27.3 secs Computing kpt #: 14 total cpu time spent up to now is 29.0 secs Computing kpt #: 15 total cpu time spent up to now is 30.8 secs Computing kpt #: 16 total cpu time spent up to now is 32.6 secs Computing kpt #: 17 total cpu time spent up to now is 34.3 secs Computing kpt #: 18 total cpu time spent up to now is 36.1 secs Computing kpt #: 19 total cpu time spent up to now is 37.9 secs Computing kpt #: 20 total cpu time spent up to now is 39.6 secs Computing kpt #: 21 total cpu time spent up to now is 41.4 secs Computing kpt #: 22 total cpu time spent up to now is 43.2 secs Computing kpt #: 23 total cpu time spent up to now is 45.0 secs Computing kpt #: 24 total cpu time spent up to now is 46.7 secs Computing kpt #: 25 total cpu time spent up to now is 48.4 secs Computing kpt #: 26 total cpu time spent up to now is 50.1 secs Computing kpt #: 27 total cpu time spent up to now is 51.9 secs Computing kpt #: 28 total cpu time spent up to now is 53.6 secs Computing kpt #: 29 total cpu time spent up to now is 55.3 secs Computing kpt #: 30 total cpu time spent up to now is 57.0 secs Computing kpt #: 31 total cpu time spent up to now is 58.7 secs Computing kpt #: 32 total cpu time spent up to now is 60.3 secs Computing kpt #: 33 total cpu time spent up to now is 62.0 secs Computing kpt #: 34 total cpu time spent up to now is 63.7 secs Computing kpt #: 35 total cpu time spent up to now is 65.4 secs Computing kpt #: 36 total cpu time spent up to now is 67.0 secs Computing kpt #: 37 total cpu time spent up to now is 68.7 secs Computing kpt #: 38 total cpu time spent up to now is 70.4 secs Computing kpt #: 39 total cpu time spent up to now is 72.0 secs Computing kpt #: 40 total cpu time spent up to now is 73.7 secs Computing kpt #: 41 total cpu time spent up to now is 75.5 secs Computing kpt #: 42 total cpu time spent up to now is 77.1 secs Computing kpt #: 43 total cpu time spent up to now is 78.8 secs Computing kpt #: 44 total cpu time spent up to now is 80.5 secs Computing kpt #: 45 total cpu time spent up to now is 82.1 secs Computing kpt #: 46 total cpu time spent up to now is 83.8 secs Computing kpt #: 47 total cpu time spent up to now is 85.5 secs Computing kpt #: 48 total cpu time spent up to now is 87.2 secs Computing kpt #: 49 total cpu time spent up to now is 88.9 secs Computing kpt #: 50 total cpu time spent up to now is 90.6 secs Computing kpt #: 51 total cpu time spent up to now is 92.3 secs Computing kpt #: 52 total cpu time spent up to now is 94.0 secs Computing kpt #: 53 total cpu time spent up to now is 95.8 secs Computing kpt #: 54 total cpu time spent up to now is 97.5 secs Computing kpt #: 55 total cpu time spent up to now is 99.3 secs Computing kpt #: 56 total cpu time spent up to now is 101.0 secs Computing kpt #: 57 total cpu time spent up to now is 102.8 secs Computing kpt #: 58 total cpu time spent up to now is 104.6 secs Computing kpt #: 59 total cpu time spent up to now is 106.4 secs Computing kpt #: 60 total cpu time spent up to now is 108.2 secs Computing kpt #: 61 total cpu time spent up to now is 110.0 secs Computing kpt #: 62 total cpu time spent up to now is 111.7 secs Computing kpt #: 63 total cpu time spent up to now is 113.4 secs Computing kpt #: 64 total cpu time spent up to now is 115.2 secs Computing kpt #: 65 total cpu time spent up to now is 117.0 secs Computing kpt #: 66 total cpu time spent up to now is 118.8 secs Computing kpt #: 67 total cpu time spent up to now is 120.5 secs Computing kpt #: 68 total cpu time spent up to now is 122.3 secs Computing kpt #: 69 total cpu time spent up to now is 124.0 secs Computing kpt #: 70 total cpu time spent up to now is 125.8 secs Computing kpt #: 71 total cpu time spent up to now is 127.6 secs Computing kpt #: 72 total cpu time spent up to now is 129.3 secs Computing kpt #: 73 total cpu time spent up to now is 131.3 secs Computing kpt #: 74 total cpu time spent up to now is 133.3 secs Computing kpt #: 75 total cpu time spent up to now is 135.3 secs Computing kpt #: 76 total cpu time spent up to now is 137.1 secs Computing kpt #: 77 total cpu time spent up to now is 138.8 secs Computing kpt #: 78 total cpu time spent up to now is 140.6 secs Computing kpt #: 79 total cpu time spent up to now is 142.4 secs Computing kpt #: 80 total cpu time spent up to now is 144.2 secs Computing kpt #: 81 total cpu time spent up to now is 146.0 secs Computing kpt #: 82 total cpu time spent up to now is 147.8 secs Computing kpt #: 83 total cpu time spent up to now is 149.6 secs Computing kpt #: 84 total cpu time spent up to now is 151.4 secs Computing kpt #: 85 total cpu time spent up to now is 153.4 secs Computing kpt #: 86 total cpu time spent up to now is 155.5 secs Computing kpt #: 87 total cpu time spent up to now is 157.5 secs Computing kpt #: 88 total cpu time spent up to now is 159.5 secs Computing kpt #: 89 total cpu time spent up to now is 161.3 secs Computing kpt #: 90 total cpu time spent up to now is 163.1 secs Computing kpt #: 91 total cpu time spent up to now is 164.8 secs Computing kpt #: 92 total cpu time spent up to now is 166.6 secs Computing kpt #: 93 total cpu time spent up to now is 168.4 secs Computing kpt #: 94 total cpu time spent up to now is 170.2 secs Computing kpt #: 95 total cpu time spent up to now is 172.0 secs Computing kpt #: 96 total cpu time spent up to now is 173.8 secs Computing kpt #: 97 total cpu time spent up to now is 175.6 secs Computing kpt #: 98 total cpu time spent up to now is 177.4 secs Computing kpt #: 99 total cpu time spent up to now is 179.2 secs Computing kpt #: 100 total cpu time spent up to now is 180.9 secs Computing kpt #: 101 total cpu time spent up to now is 182.7 secs Computing kpt #: 102 total cpu time spent up to now is 184.4 secs Computing kpt #: 103 total cpu time spent up to now is 186.2 secs Computing kpt #: 104 total cpu time spent up to now is 187.9 secs Computing kpt #: 105 total cpu time spent up to now is 189.7 secs Computing kpt #: 106 total cpu time spent up to now is 191.4 secs Computing kpt #: 107 total cpu time spent up to now is 193.2 secs Computing kpt #: 108 total cpu time spent up to now is 194.9 secs Computing kpt #: 109 total cpu time spent up to now is 196.7 secs Computing kpt #: 110 total cpu time spent up to now is 198.4 secs Computing kpt #: 111 total cpu time spent up to now is 200.2 secs Computing kpt #: 112 total cpu time spent up to now is 202.2 secs Computing kpt #: 113 total cpu time spent up to now is 204.2 secs Computing kpt #: 114 total cpu time spent up to now is 206.2 secs Computing kpt #: 115 total cpu time spent up to now is 208.1 secs Computing kpt #: 116 total cpu time spent up to now is 210.1 secs Computing kpt #: 117 total cpu time spent up to now is 212.1 secs Computing kpt #: 118 total cpu time spent up to now is 214.1 secs Computing kpt #: 119 total cpu time spent up to now is 216.1 secs Computing kpt #: 120 total cpu time spent up to now is 218.1 secs Computing kpt #: 121 total cpu time spent up to now is 220.1 secs Computing kpt #: 122 total cpu time spent up to now is 222.1 secs Computing kpt #: 123 total cpu time spent up to now is 224.1 secs Computing kpt #: 124 total cpu time spent up to now is 225.7 secs Computing kpt #: 125 total cpu time spent up to now is 227.4 secs Computing kpt #: 126 total cpu time spent up to now is 229.1 secs Computing kpt #: 127 total cpu time spent up to now is 230.8 secs Computing kpt #: 128 total cpu time spent up to now is 232.4 secs Computing kpt #: 129 total cpu time spent up to now is 234.1 secs Computing kpt #: 130 total cpu time spent up to now is 235.8 secs Computing kpt #: 131 total cpu time spent up to now is 237.4 secs Computing kpt #: 132 total cpu time spent up to now is 239.2 secs Computing kpt #: 133 total cpu time spent up to now is 241.1 secs Computing kpt #: 134 total cpu time spent up to now is 243.1 secs Computing kpt #: 135 total cpu time spent up to now is 245.1 secs Computing kpt #: 136 total cpu time spent up to now is 247.1 secs Computing kpt #: 137 total cpu time spent up to now is 249.2 secs Computing kpt #: 138 total cpu time spent up to now is 251.2 secs Computing kpt #: 139 total cpu time spent up to now is 253.1 secs Computing kpt #: 140 total cpu time spent up to now is 255.1 secs Computing kpt #: 141 total cpu time spent up to now is 257.1 secs Computing kpt #: 142 total cpu time spent up to now is 259.1 secs Computing kpt #: 143 total cpu time spent up to now is 261.1 secs Computing kpt #: 144 total cpu time spent up to now is 263.1 secs Computing kpt #: 145 total cpu time spent up to now is 264.8 secs Computing kpt #: 146 total cpu time spent up to now is 266.6 secs Computing kpt #: 147 total cpu time spent up to now is 268.4 secs Computing kpt #: 148 total cpu time spent up to now is 270.5 secs Computing kpt #: 149 total cpu time spent up to now is 272.3 secs Computing kpt #: 150 total cpu time spent up to now is 274.0 secs Computing kpt #: 151 total cpu time spent up to now is 275.8 secs Computing kpt #: 152 total cpu time spent up to now is 277.6 secs Computing kpt #: 153 total cpu time spent up to now is 279.3 secs Computing kpt #: 154 total cpu time spent up to now is 281.0 secs Computing kpt #: 155 total cpu time spent up to now is 282.7 secs Computing kpt #: 156 total cpu time spent up to now is 284.4 secs Computing kpt #: 157 total cpu time spent up to now is 286.1 secs Computing kpt #: 158 total cpu time spent up to now is 287.8 secs Computing kpt #: 159 total cpu time spent up to now is 289.5 secs Computing kpt #: 160 total cpu time spent up to now is 291.2 secs Computing kpt #: 161 total cpu time spent up to now is 292.9 secs Computing kpt #: 162 total cpu time spent up to now is 294.6 secs Computing kpt #: 163 total cpu time spent up to now is 296.3 secs Computing kpt #: 164 total cpu time spent up to now is 298.1 secs Computing kpt #: 165 total cpu time spent up to now is 299.8 secs Computing kpt #: 166 total cpu time spent up to now is 301.6 secs Computing kpt #: 167 total cpu time spent up to now is 303.4 secs Computing kpt #: 168 total cpu time spent up to now is 305.4 secs Computing kpt #: 169 total cpu time spent up to now is 307.4 secs Computing kpt #: 170 total cpu time spent up to now is 309.1 secs Computing kpt #: 171 total cpu time spent up to now is 311.2 secs Computing kpt #: 172 total cpu time spent up to now is 313.0 secs Computing kpt #: 173 total cpu time spent up to now is 314.7 secs Computing kpt #: 174 total cpu time spent up to now is 316.8 secs Computing kpt #: 175 total cpu time spent up to now is 318.6 secs Computing kpt #: 176 total cpu time spent up to now is 320.4 secs Computing kpt #: 177 total cpu time spent up to now is 322.1 secs Computing kpt #: 178 total cpu time spent up to now is 323.9 secs Computing kpt #: 179 total cpu time spent up to now is 325.7 secs Computing kpt #: 180 total cpu time spent up to now is 327.5 secs Computing kpt #: 181 total cpu time spent up to now is 329.3 secs Computing kpt #: 182 total cpu time spent up to now is 331.1 secs Computing kpt #: 183 total cpu time spent up to now is 332.9 secs Computing kpt #: 184 total cpu time spent up to now is 334.7 secs Computing kpt #: 185 total cpu time spent up to now is 336.5 secs Computing kpt #: 186 total cpu time spent up to now is 338.3 secs Computing kpt #: 187 total cpu time spent up to now is 340.1 secs Computing kpt #: 188 total cpu time spent up to now is 341.9 secs Computing kpt #: 189 total cpu time spent up to now is 343.7 secs Computing kpt #: 190 total cpu time spent up to now is 345.4 secs Computing kpt #: 191 total cpu time spent up to now is 347.1 secs Computing kpt #: 192 total cpu time spent up to now is 348.8 secs Computing kpt #: 193 total cpu time spent up to now is 350.6 secs Computing kpt #: 194 total cpu time spent up to now is 352.3 secs Computing kpt #: 195 total cpu time spent up to now is 354.0 secs Computing kpt #: 196 total cpu time spent up to now is 355.8 secs Computing kpt #: 197 total cpu time spent up to now is 357.5 secs Computing kpt #: 198 total cpu time spent up to now is 359.2 secs Computing kpt #: 199 total cpu time spent up to now is 360.9 secs Computing kpt #: 200 total cpu time spent up to now is 362.7 secs Computing kpt #: 201 total cpu time spent up to now is 364.4 secs Computing kpt #: 202 total cpu time spent up to now is 366.1 secs Computing kpt #: 203 total cpu time spent up to now is 367.8 secs Computing kpt #: 204 total cpu time spent up to now is 369.5 secs Computing kpt #: 205 total cpu time spent up to now is 371.3 secs Computing kpt #: 206 total cpu time spent up to now is 373.0 secs Computing kpt #: 207 total cpu time spent up to now is 374.8 secs Computing kpt #: 208 total cpu time spent up to now is 376.5 secs Computing kpt #: 209 total cpu time spent up to now is 378.3 secs Computing kpt #: 210 total cpu time spent up to now is 380.0 secs Computing kpt #: 211 total cpu time spent up to now is 381.8 secs Computing kpt #: 212 total cpu time spent up to now is 383.5 secs Computing kpt #: 213 total cpu time spent up to now is 385.3 secs Computing kpt #: 214 total cpu time spent up to now is 387.1 secs Computing kpt #: 215 total cpu time spent up to now is 388.9 secs Computing kpt #: 216 total cpu time spent up to now is 390.9 secs Computing kpt #: 217 total cpu time spent up to now is 392.7 secs Computing kpt #: 218 total cpu time spent up to now is 394.8 secs Computing kpt #: 219 total cpu time spent up to now is 396.8 secs Computing kpt #: 220 total cpu time spent up to now is 398.9 secs Computing kpt #: 221 total cpu time spent up to now is 400.9 secs Computing kpt #: 222 total cpu time spent up to now is 403.0 secs Computing kpt #: 223 total cpu time spent up to now is 405.1 secs Computing kpt #: 224 total cpu time spent up to now is 407.2 secs Computing kpt #: 225 total cpu time spent up to now is 409.3 secs Computing kpt #: 226 total cpu time spent up to now is 411.3 secs Computing kpt #: 227 total cpu time spent up to now is 413.4 secs Computing kpt #: 228 total cpu time spent up to now is 415.3 secs Computing kpt #: 229 total cpu time spent up to now is 417.4 secs Computing kpt #: 230 total cpu time spent up to now is 419.5 secs Computing kpt #: 231 total cpu time spent up to now is 421.4 secs Computing kpt #: 232 total cpu time spent up to now is 423.2 secs Computing kpt #: 233 total cpu time spent up to now is 425.0 secs Computing kpt #: 234 total cpu time spent up to now is 426.9 secs Computing kpt #: 235 total cpu time spent up to now is 428.7 secs Computing kpt #: 236 total cpu time spent up to now is 430.6 secs Computing kpt #: 237 total cpu time spent up to now is 432.4 secs Computing kpt #: 238 total cpu time spent up to now is 434.2 secs Computing kpt #: 239 total cpu time spent up to now is 436.0 secs Computing kpt #: 240 total cpu time spent up to now is 437.8 secs Computing kpt #: 241 total cpu time spent up to now is 439.6 secs Computing kpt #: 242 total cpu time spent up to now is 441.4 secs Computing kpt #: 243 total cpu time spent up to now is 443.2 secs Computing kpt #: 244 total cpu time spent up to now is 445.1 secs Computing kpt #: 245 total cpu time spent up to now is 446.9 secs Computing kpt #: 246 total cpu time spent up to now is 448.7 secs Computing kpt #: 247 total cpu time spent up to now is 450.5 secs Computing kpt #: 248 total cpu time spent up to now is 452.3 secs Computing kpt #: 249 total cpu time spent up to now is 454.2 secs Computing kpt #: 250 total cpu time spent up to now is 456.0 secs Computing kpt #: 251 total cpu time spent up to now is 457.8 secs Computing kpt #: 252 total cpu time spent up to now is 459.6 secs Computing kpt #: 253 total cpu time spent up to now is 461.4 secs Computing kpt #: 254 total cpu time spent up to now is 463.2 secs Computing kpt #: 255 total cpu time spent up to now is 465.0 secs Computing kpt #: 256 total cpu time spent up to now is 466.7 secs Computing kpt #: 257 total cpu time spent up to now is 468.5 secs Computing kpt #: 258 total cpu time spent up to now is 470.3 secs Computing kpt #: 259 total cpu time spent up to now is 472.1 secs Computing kpt #: 260 total cpu time spent up to now is 473.8 secs Computing kpt #: 261 total cpu time spent up to now is 475.5 secs Computing kpt #: 262 total cpu time spent up to now is 477.2 secs Computing kpt #: 263 total cpu time spent up to now is 478.9 secs Computing kpt #: 264 total cpu time spent up to now is 480.7 secs Computing kpt #: 265 total cpu time spent up to now is 482.4 secs Computing kpt #: 266 total cpu time spent up to now is 484.1 secs Computing kpt #: 267 total cpu time spent up to now is 485.8 secs Computing kpt #: 268 total cpu time spent up to now is 487.5 secs Computing kpt #: 269 total cpu time spent up to now is 489.2 secs Computing kpt #: 270 total cpu time spent up to now is 490.9 secs Computing kpt #: 271 total cpu time spent up to now is 492.6 secs Computing kpt #: 272 total cpu time spent up to now is 494.3 secs Computing kpt #: 273 total cpu time spent up to now is 496.1 secs Computing kpt #: 274 total cpu time spent up to now is 497.8 secs Computing kpt #: 275 total cpu time spent up to now is 499.6 secs Computing kpt #: 276 total cpu time spent up to now is 501.3 secs Computing kpt #: 277 total cpu time spent up to now is 503.1 secs Computing kpt #: 278 total cpu time spent up to now is 504.8 secs Computing kpt #: 279 total cpu time spent up to now is 506.6 secs Computing kpt #: 280 total cpu time spent up to now is 508.5 secs Computing kpt #: 281 total cpu time spent up to now is 510.5 secs Computing kpt #: 282 total cpu time spent up to now is 512.6 secs Computing kpt #: 283 total cpu time spent up to now is 514.7 secs Computing kpt #: 284 total cpu time spent up to now is 516.8 secs Computing kpt #: 285 total cpu time spent up to now is 518.9 secs ethr = 2.08E-08, avg # of iterations = 19.4 total cpu time spent up to now is 518.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19627 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5830 -12.5830 -10.0342 -10.0342 -10.0225 -10.0225 -10.0192 -10.0192 -8.5524 -8.5524 -6.4617 -6.4617 -6.4611 -6.4611 -6.2304 -6.2304 -2.8860 -2.8860 -0.3526 -0.3526 0.4957 0.4957 0.8382 0.8382 0.8592 0.8592 2.1192 2.1192 2.3676 2.3676 2.9333 2.9333 3.6077 3.6077 3.8486 3.8486 3.8712 3.8712 4.2450 4.2450 4.3080 4.3080 8.2043 8.2043 8.7716 8.7716 9.6620 9.6620 10.0733 10.0733 10.1132 10.1132 k = 0.0000 0.0000 0.0187 ( 19651 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5838 -12.5837 -12.5831 -12.5829 -10.0344 -10.0340 -10.0228 -10.0221 -10.0193 -10.0192 -8.5519 -8.5516 -6.4627 -6.4623 -6.4614 -6.4611 -6.2312 -6.2305 -2.8851 -2.8850 -0.3578 -0.3571 0.4900 0.5018 0.8391 0.8406 0.8612 0.8612 2.1149 2.1277 2.3693 2.3697 2.9340 2.9356 3.6079 3.6095 3.8455 3.8514 3.8703 3.8731 4.2434 4.2452 4.3070 4.3073 8.1937 8.2132 8.7697 8.7708 9.6579 9.6594 10.0726 10.0727 10.1090 10.1108 k = 0.0000 0.0000 0.0373 ( 19649 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5838 -12.5837 -12.5831 -12.5828 -10.0346 -10.0338 -10.0231 -10.0217 -10.0194 -10.0191 -8.5502 -8.5497 -6.4654 -6.4651 -6.4613 -6.4612 -6.2332 -6.2318 -2.8823 -2.8821 -0.3723 -0.3710 0.4846 0.5079 0.8419 0.8440 0.8684 0.8693 2.1152 2.1396 2.3748 2.3763 2.9375 2.9407 3.6100 3.6131 3.8421 3.8539 3.8702 3.8760 4.2403 4.2438 4.3042 4.3050 8.1809 8.2206 8.7652 8.7675 9.6469 9.6505 10.0704 10.0707 10.0981 10.1020 k = 0.0000 0.0000 0.0560 ( 19639 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5836 -12.5832 -12.5827 -10.0348 -10.0335 -10.0235 -10.0214 -10.0194 -10.0189 -8.5473 -8.5465 -6.4699 -6.4695 -6.4613 -6.4612 -6.2361 -6.2341 -2.8777 -2.8775 -0.3956 -0.3937 0.4801 0.5143 0.8439 0.8456 0.8830 0.8858 2.1192 2.1529 2.3845 2.3891 2.9439 2.9487 3.6139 3.6183 3.8385 3.8560 3.8709 3.8797 4.2360 4.2410 4.3000 4.3010 8.1654 8.2269 8.7575 8.7617 9.6290 9.6360 10.0661 10.0674 10.0815 10.0874 k = 0.0000 0.0000 0.0747 ( 19643 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5836 -12.5832 -12.5826 -10.0349 -10.0333 -10.0237 -10.0211 -10.0195 -10.0188 -8.5432 -8.5422 -6.4760 -6.4757 -6.4613 -6.4613 -6.2402 -6.2376 -2.8714 -2.8710 -0.4268 -0.4243 0.4768 0.5212 0.8444 0.8457 0.9051 0.9098 2.1255 2.1652 2.3995 2.4097 2.9530 2.9592 3.6193 3.6249 3.8347 3.8577 3.8721 3.8840 4.2307 4.2370 4.2945 4.2957 8.1466 8.2321 8.7464 8.7533 9.6046 9.6169 10.0511 10.0570 10.0680 10.0734 k = 0.0000 0.0000 0.0933 ( 19649 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5836 -12.5832 -12.5825 -10.0351 -10.0330 -10.0240 -10.0208 -10.0194 -10.0187 -8.5379 -8.5366 -6.4838 -6.4835 -6.4613 -6.4613 -6.2453 -6.2423 -2.8634 -2.8630 -0.4648 -0.4618 0.4751 0.5290 0.8441 0.8450 0.9334 0.9398 2.1327 2.1746 2.4209 2.4394 2.9646 2.9722 3.6258 3.6322 3.8308 3.8590 3.8735 3.8885 4.2248 4.2320 4.2881 4.2893 8.1238 8.2364 8.7312 8.7423 9.5744 9.5942 10.0210 10.0310 10.0634 10.0697 k = 0.0000 0.0000 0.1120 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5840 -12.5836 -12.5832 -12.5823 -10.0352 -10.0328 -10.0243 -10.0206 -10.0192 -10.0186 -8.5314 -8.5299 -6.4929 -6.4928 -6.4613 -6.4613 -6.2516 -6.2482 -2.8540 -2.8536 -0.5084 -0.5050 0.4755 0.5379 0.8431 0.8439 0.9668 0.9748 2.1391 2.1802 2.4496 2.4784 2.9786 2.9874 3.6330 3.6398 3.8269 3.8595 3.8747 3.8927 4.2188 4.2266 4.2812 4.2822 8.0962 8.2398 8.7116 8.7285 9.5389 9.5691 9.9837 9.9965 10.0611 10.0700 k = 0.0000 0.0000 0.1307 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5840 -12.5835 -12.5832 -12.5822 -10.0354 -10.0325 -10.0245 -10.0206 -10.0189 -10.0184 -8.5239 -8.5220 -6.5033 -6.5033 -6.4614 -6.4614 -6.2590 -6.2553 -2.8433 -2.8428 -0.5566 -0.5527 0.4784 0.5485 0.8417 0.8423 1.0046 1.0139 2.1440 2.1825 2.4856 2.5254 2.9947 3.0046 3.6403 3.6469 3.8231 3.8591 3.8754 3.8959 4.2132 4.2214 4.2743 4.2748 8.0630 8.2422 8.6870 8.7124 9.4989 9.5427 9.9414 9.9562 10.0612 10.0731 k = 0.0000 0.0000 0.1494 ( 19678 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5841 -12.5835 -12.5832 -12.5821 -10.0355 -10.0322 -10.0247 -10.0206 -10.0186 -10.0183 -8.5152 -8.5131 -6.5151 -6.5148 -6.4614 -6.4614 -6.2676 -6.2637 -2.8315 -2.8309 -0.6082 -0.6038 0.4841 0.5612 0.8398 0.8404 1.0460 1.0567 2.1471 2.1822 2.5283 2.5787 3.0128 3.0236 3.6470 3.6528 3.8194 3.8574 3.8752 3.8972 4.2087 4.2169 4.2678 4.2682 8.0235 8.2435 8.6573 8.6942 9.4553 9.5161 9.8954 9.9114 10.0643 10.0794 k = 0.0000 0.0000 0.1680 ( 19680 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5841 -12.5835 -12.5832 -12.5820 -10.0356 -10.0319 -10.0249 -10.0207 -10.0181 -10.0181 -8.5055 -8.5030 -6.5278 -6.5273 -6.4615 -6.4614 -6.2773 -6.2734 -2.8188 -2.8182 -0.6622 -0.6575 0.4930 0.5763 0.8376 0.8381 1.0905 1.1025 2.1488 2.1805 2.5766 2.6367 3.0326 3.0443 3.6524 3.6567 3.8160 3.8535 3.8742 3.8957 4.2060 4.2141 4.2618 4.2634 7.9773 8.2432 8.6226 8.6748 9.4088 9.4899 9.8471 9.8634 10.0711 10.0892 k = 0.0000 0.0000 0.1867 ( 19686 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5834 -12.5832 -12.5818 -10.0357 -10.0316 -10.0250 -10.0208 -10.0179 -10.0177 -8.4947 -8.4919 -6.5414 -6.5407 -6.4615 -6.4615 -6.2883 -6.2843 -2.8054 -2.8048 -0.7179 -0.7126 0.5053 0.5942 0.8350 0.8354 1.1378 1.1510 2.1494 2.1780 2.6291 2.6974 3.0541 3.0664 3.6556 3.6581 3.8126 3.8468 3.8725 3.8905 4.2054 4.2135 4.2573 4.2608 7.9242 8.2410 8.5835 8.6548 9.3601 9.4648 9.7978 9.8138 10.0819 10.1028 k = 0.0000 0.0000 0.2054 ( 19668 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5834 -12.5832 -12.5817 -10.0358 -10.0313 -10.0251 -10.0210 -10.0177 -10.0173 -8.4830 -8.4798 -6.5556 -6.5546 -6.4616 -6.4616 -6.3005 -6.2966 -2.7916 -2.7910 -0.7743 -0.7686 0.5214 0.6153 0.8319 0.8324 1.1874 1.2017 2.1497 2.1756 2.6843 2.7594 3.0769 3.0897 3.6562 3.6563 3.8090 3.8364 3.8705 3.8811 4.2073 4.2155 4.2552 4.2610 7.8643 8.2360 8.5411 8.6352 9.3098 9.4408 9.7484 9.7639 10.0970 10.1200 k = 0.0000 0.0000 0.2240 ( 19690 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5833 -12.5831 -12.5816 -10.0359 -10.0310 -10.0253 -10.0211 -10.0175 -10.0168 -8.4703 -8.4668 -6.5704 -6.5691 -6.4617 -6.4616 -6.3138 -6.3100 -2.7777 -2.7771 -0.8309 -0.8247 0.5414 0.6398 0.8285 0.8290 1.2391 1.2543 2.1501 2.1737 2.7408 2.8213 3.1009 3.1141 3.6513 3.6534 3.8049 3.8223 3.8674 3.8680 4.2115 4.2200 4.2560 4.2646 7.7985 8.2270 8.4975 8.6166 9.2586 9.4183 9.7000 9.7149 10.1162 10.1399 k = 0.0000 0.0000 0.2427 ( 19692 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5833 -12.5831 -12.5815 -10.0359 -10.0307 -10.0254 -10.0213 -10.0173 -10.0164 -8.4567 -8.4529 -6.5854 -6.5839 -6.4617 -6.4617 -6.3282 -6.3247 -2.7638 -2.7631 -0.8869 -0.8803 0.5654 0.6679 0.8247 0.8254 1.2925 1.3086 2.1510 2.1727 2.7972 2.8817 3.1260 3.1394 3.6430 3.6468 3.7999 3.8047 3.8497 3.8650 4.2178 4.2267 4.2600 4.2718 7.7279 8.2123 8.4554 8.5995 9.2070 9.3969 9.6530 9.6679 10.1388 10.1592 k = 0.0000 0.0000 0.2614 ( 19700 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5832 -12.5831 -12.5814 -10.0360 -10.0304 -10.0255 -10.0215 -10.0171 -10.0160 -8.4424 -8.4382 -6.6006 -6.5988 -6.4619 -6.4618 -6.3437 -6.3405 -2.7501 -2.7495 -0.9420 -0.9349 0.5936 0.6999 0.8206 0.8214 1.3475 1.3644 2.1529 2.1730 2.8521 2.9392 3.1518 3.1652 3.6316 3.6363 3.7841 3.7934 3.8289 3.8615 4.2260 4.2353 4.2671 4.2822 7.6541 8.1900 8.4180 8.5842 9.1554 9.3767 9.6078 9.6235 10.1632 10.1674 k = 0.0000 0.0000 0.2800 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5832 -12.5830 -12.5813 -10.0360 -10.0301 -10.0255 -10.0217 -10.0169 -10.0155 -8.4273 -8.4228 -6.6159 -6.6138 -6.4620 -6.4619 -6.3603 -6.3574 -2.7370 -2.7363 -0.9956 -0.9880 0.6260 0.7357 0.8162 0.8172 1.4038 1.4213 2.1559 2.1747 2.9042 2.9925 3.1781 3.1913 3.6174 3.6219 3.7611 3.7845 3.8070 3.8577 4.2357 4.2456 4.2765 4.2949 7.5787 8.1593 8.3874 8.5708 9.1043 9.3575 9.5648 9.5822 10.1455 10.1852 k = 0.0000 0.0000 0.2987 ( 19686 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5841 -12.5832 -12.5830 -12.5812 -10.0360 -10.0298 -10.0256 -10.0220 -10.0166 -10.0151 -8.4116 -8.4068 -6.6309 -6.6287 -6.4622 -6.4620 -6.3777 -6.3752 -2.7245 -2.7238 -1.0474 -1.0393 0.6626 0.7752 0.8118 0.8130 1.4613 1.4793 2.1604 2.1781 2.9521 3.0402 3.2045 3.2173 3.6009 3.6041 3.7366 3.7688 3.7895 3.8536 4.2468 4.2572 4.2875 4.3089 7.5037 8.1216 8.3637 8.5593 9.0540 9.3389 9.5243 9.5444 10.0995 10.1936 k = 0.0000 0.0000 0.3174 ( 19688 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5831 -12.5829 -12.5812 -10.0359 -10.0295 -10.0257 -10.0223 -10.0164 -10.0147 -8.3953 -8.3902 -6.6457 -6.6434 -6.4626 -6.4621 -6.3959 -6.3940 -2.7130 -2.7122 -1.0969 -1.0885 0.7029 0.8036 0.8093 0.8224 1.5196 1.5380 2.1663 2.1833 2.9943 3.0806 3.2306 3.2426 3.5824 3.5835 3.7111 3.7448 3.7797 3.8499 4.2590 4.2698 4.2990 4.3229 7.4309 8.0801 8.3451 8.5495 9.0051 9.3208 9.4862 9.5100 10.0452 10.1721 k = 0.0000 0.0000 0.3360 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5831 -12.5829 -12.5811 -10.0359 -10.0292 -10.0257 -10.0225 -10.0161 -10.0144 -8.3786 -8.3732 -6.6601 -6.6576 -6.4631 -6.4624 -6.4147 -6.4134 -2.7024 -2.7015 -1.1441 -1.1353 0.7450 0.7998 0.8080 0.8691 1.5785 1.5973 2.1739 2.1904 3.0293 3.1122 3.2555 3.2664 3.5613 3.5630 3.6855 3.7179 3.7740 3.8469 4.2720 4.2829 4.3098 4.3360 7.3620 8.0382 8.3291 8.5413 8.9580 9.3025 9.4511 9.4791 9.9887 10.1276 k = 0.0000 0.0000 0.3547 ( 19666 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5839 -12.5830 -12.5828 -12.5811 -10.0358 -10.0290 -10.0258 -10.0229 -10.0159 -10.0140 -8.3615 -8.3559 -6.6739 -6.6714 -6.4643 -6.4629 -6.4335 -6.4332 -2.6929 -2.6920 -1.1886 -1.1796 0.7764 0.7944 0.8215 0.9211 1.6379 1.6569 2.1832 2.1993 3.0557 3.1334 3.2780 3.2873 3.5392 3.5437 3.6602 3.6903 3.7721 3.8453 4.2852 4.2960 4.3193 4.3471 7.2988 7.9990 8.3135 8.5346 8.9132 9.2835 9.4190 9.4517 9.9324 10.0755 k = 0.0000 0.0000 0.3734 ( 19674 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5838 -12.5830 -12.5828 -12.5810 -10.0357 -10.0287 -10.0258 -10.0232 -10.0156 -10.0137 -8.3442 -8.3384 -6.6871 -6.6845 -6.4684 -6.4649 -6.4520 -6.4499 -2.6845 -2.6836 -1.2302 -1.2210 0.7817 0.7887 0.8654 0.9773 1.6975 1.7166 2.1941 2.2102 3.0720 3.1431 3.2961 3.3032 3.5195 3.5266 3.6360 3.6626 3.7748 3.8460 4.2983 4.3083 4.3266 4.3558 7.2426 7.9646 8.2966 8.5290 8.8715 9.2629 9.3908 9.4275 9.8775 10.0217 k = 0.0000 0.0000 0.3920 ( 19674 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5829 -12.5827 -12.5810 -10.0356 -10.0285 -10.0258 -10.0236 -10.0153 -10.0134 -8.3268 -8.3209 -6.6994 -6.6969 -6.4817 -6.4781 -6.4600 -6.4576 -2.6774 -2.6764 -1.2689 -1.2596 0.7786 0.7829 0.9217 1.0373 1.7570 1.7761 2.2066 2.2228 3.0772 3.1410 3.3072 3.3111 3.5051 3.5146 3.6133 3.6347 3.7828 3.8494 4.3105 4.3191 4.3315 4.3620 7.1948 7.9364 8.2773 8.5244 8.8335 9.2398 9.3668 9.4065 9.8246 9.9682 k = 0.0000 0.0000 0.4107 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5829 -12.5827 -12.5810 -10.0354 -10.0283 -10.0259 -10.0240 -10.0151 -10.0131 -8.3095 -8.3035 -6.7109 -6.7085 -6.5009 -6.4985 -6.4611 -6.4596 -2.6715 -2.6704 -1.3046 -1.2953 0.7740 0.7771 0.9836 1.1009 1.8161 1.8351 2.2206 2.2372 3.0711 3.1276 3.3080 3.3084 3.4977 3.5102 3.5932 3.6067 3.7963 3.8563 4.3205 4.3269 4.3345 4.3661 7.1563 7.9152 8.2547 8.5205 8.8000 9.2134 9.3475 9.3883 9.7742 9.9158 k = 0.0000 0.0000 0.4294 ( 19666 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5836 -12.5829 -12.5827 -12.5810 -10.0352 -10.0281 -10.0259 -10.0244 -10.0148 -10.0129 -8.2924 -8.2864 -6.7213 -6.7190 -6.5214 -6.5197 -6.4614 -6.4603 -2.6667 -2.6655 -1.3371 -1.3280 0.7689 0.7714 1.0497 1.1680 1.8743 1.8931 2.2359 2.2533 3.0544 3.1041 3.2951 3.2979 3.4938 3.5132 3.5787 3.5796 3.8146 3.8667 4.3238 4.3302 4.3396 4.3696 7.1277 7.9009 8.2284 8.5171 8.7715 9.1836 9.3327 9.3727 9.7266 9.8647 k = 0.0000 0.0000 0.4481 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5835 -12.5828 -12.5826 -12.5810 -10.0350 -10.0279 -10.0259 -10.0248 -10.0145 -10.0127 -8.2756 -8.2697 -6.7306 -6.7285 -6.5423 -6.5409 -6.4616 -6.4607 -2.6630 -2.6618 -1.3666 -1.3577 0.7637 0.7658 1.1196 1.2381 1.9310 1.9497 2.2524 2.2708 3.0282 3.0724 3.2739 3.2787 3.4849 3.5143 3.5606 3.5750 3.8366 3.8806 4.3196 4.3275 4.3477 4.3737 7.1094 7.8927 8.1989 8.5139 8.7484 9.1508 9.3219 9.3593 9.6822 9.8148 k = 0.0000 0.0000 0.4667 ( 19676 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5834 -12.5828 -12.5826 -12.5810 -10.0347 -10.0277 -10.0259 -10.0252 -10.0143 -10.0125 -8.2594 -8.2536 -6.7387 -6.7368 -6.5630 -6.5620 -6.4617 -6.4610 -2.6603 -2.6591 -1.3931 -1.3845 0.7586 0.7604 1.1927 1.3110 1.9857 2.0043 2.2696 2.2896 2.9947 3.0342 3.2477 3.2537 3.4661 3.4951 3.5650 3.5835 3.8612 3.8974 4.3109 4.3192 4.3555 4.3784 7.1016 7.8886 8.1681 8.5104 8.7307 9.1154 9.3144 9.3480 9.6413 9.7663 k = 0.0000 0.0000 0.4854 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5833 -12.5828 -12.5825 -12.5810 -10.0344 -10.0276 -10.0260 -10.0257 -10.0140 -10.0123 -8.2439 -8.2384 -6.7456 -6.7439 -6.5833 -6.5825 -6.4618 -6.4612 -2.6584 -2.6572 -1.4166 -1.4084 0.7537 0.7553 1.2687 1.3862 2.0372 2.0559 2.2874 2.3094 2.9559 2.9914 3.2191 3.2254 3.4395 3.4631 3.5827 3.5995 3.8874 3.9164 4.2990 4.3065 4.3624 4.3828 7.1039 7.8846 8.1396 8.5063 8.7181 9.0780 9.3095 9.3383 9.6040 9.7194 k = 0.0000 0.0000 0.5041 ( 19690 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5832 -12.5827 -12.5825 -12.5811 -10.0341 -10.0274 -10.0261 -10.0260 -10.0138 -10.0122 -8.2293 -8.2241 -6.7510 -6.7497 -6.6031 -6.6025 -6.4618 -6.4613 -2.6573 -2.6561 -1.4371 -1.4296 0.7492 0.7505 1.3471 1.4633 2.0841 2.1034 2.3054 2.3298 2.9141 2.9460 3.1895 3.1958 3.4080 3.4271 3.6036 3.6186 3.9142 3.9369 4.2846 4.2906 4.3680 4.3863 7.1160 7.8746 8.1197 8.5012 8.7103 9.0392 9.3067 9.3299 9.5706 9.6743 k = 0.0000 0.0000 0.5227 ( 19686 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5831 -12.5827 -12.5824 -12.5811 -10.0337 -10.0274 -10.0265 -10.0260 -10.0136 -10.0121 -8.2159 -8.2110 -6.7551 -6.7540 -6.6220 -6.6215 -6.4619 -6.4614 -2.6567 -2.6556 -1.4549 -1.4480 0.7450 0.7461 1.4273 1.5418 2.1242 2.1453 2.3234 2.3501 2.8721 2.9001 3.1602 3.1662 3.3735 3.3890 3.6250 3.6383 3.9412 3.9584 4.2684 4.2726 4.3724 4.3888 7.1370 7.8522 8.1144 8.4944 8.7066 8.9997 9.3055 9.3228 9.5413 9.6316 k = 0.0000 0.0000 0.5414 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5827 -12.5823 -12.5812 -10.0333 -10.0276 -10.0267 -10.0260 -10.0133 -10.0121 -8.2037 -8.1993 -6.7578 -6.7569 -6.6399 -6.6395 -6.4619 -6.4615 -2.6565 -2.6555 -1.4699 -1.4638 0.7412 0.7422 1.5087 1.6210 2.1546 2.1794 2.3414 2.3697 2.8328 2.8561 3.1323 3.1378 3.3375 3.3501 3.6455 3.6572 3.9677 3.9802 4.2508 4.2531 4.3758 4.3902 7.1664 7.8154 8.1257 8.4852 8.7065 8.9602 9.3054 9.3168 9.5162 9.5918 k = 0.0000 0.0000 0.5601 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5827 -12.5822 -12.5813 -10.0329 -10.0280 -10.0267 -10.0261 -10.0131 -10.0121 -8.1929 -8.1891 -6.7590 -6.7584 -6.6565 -6.6561 -6.4619 -6.4616 -2.6567 -2.6558 -1.4823 -1.4771 0.7380 0.7388 1.5907 1.6999 2.1716 2.2032 2.3594 2.3874 2.7993 2.8171 3.1067 3.1115 3.3012 3.3114 3.6643 3.6743 3.9934 4.0020 4.2323 4.2330 4.3783 4.3906 7.2032 7.7672 8.1502 8.4729 8.7096 8.9214 9.3059 9.3119 9.4953 9.5557 k = 0.0000 0.0000 0.5787 ( 19694 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5827 -12.5822 -12.5814 -10.0325 -10.0284 -10.0267 -10.0261 -10.0129 -10.0121 -8.1838 -8.1807 -6.7589 -6.7585 -6.6715 -6.6712 -6.4619 -6.4617 -2.6570 -2.6562 -1.4922 -1.4880 0.7353 0.7359 1.6723 1.7775 2.1721 2.2136 2.3772 2.4022 2.7741 2.7861 3.0844 3.0885 3.2665 3.2746 3.6808 3.6890 4.0180 4.0233 4.2127 4.2134 4.3801 4.3903 7.2464 7.7116 8.1835 8.4567 8.7157 8.8844 9.3067 9.3082 9.4787 9.5242 k = 0.0000 0.0000 0.5974 ( 19680 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5827 -12.5821 -12.5815 -10.0320 -10.0289 -10.0266 -10.0262 -10.0128 -10.0121 -8.1764 -8.1740 -6.7577 -6.7575 -6.6845 -6.6842 -6.4619 -6.4617 -2.6573 -2.6567 -1.4997 -1.4964 0.7332 0.7337 1.7523 1.8517 2.1557 2.2080 2.3940 2.4135 2.7582 2.7650 3.0663 3.0696 3.2353 3.2414 3.6945 3.7008 4.0410 4.0437 4.1929 4.1946 4.3816 4.3894 7.2952 7.6518 8.2220 8.4358 8.7246 8.8501 9.3058 9.3072 9.4663 9.4981 k = 0.0000 0.0000 0.6161 ( 19648 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5820 -12.5815 -10.0315 -10.0295 -10.0265 -10.0262 -10.0126 -10.0121 -8.1709 -8.1693 -6.7557 -6.7556 -6.6950 -6.6948 -6.4619 -6.4618 -2.6576 -2.6572 -1.5048 -1.5026 0.7317 0.7320 1.8289 1.9183 2.1268 2.1859 2.4082 2.4211 2.7503 2.7535 3.0532 3.0555 3.2102 3.2144 3.7049 3.7091 4.0616 4.0624 4.1747 4.1768 4.3828 4.3881 7.3487 7.5899 8.2627 8.4097 8.7365 8.8194 9.3047 9.3072 9.4583 9.4780 k = 0.0000 0.0000 0.6347 ( 19638 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5819 -12.5816 -10.0310 -10.0300 -10.0264 -10.0263 -10.0124 -10.0122 -8.1674 -8.1666 -6.7538 -6.7538 -6.7020 -6.7019 -6.4619 -6.4618 -2.6577 -2.6575 -1.5076 -1.5065 0.7308 0.7309 1.8988 1.9629 2.1011 2.1506 2.4183 2.4246 2.7476 2.7487 3.0456 3.0468 3.1940 3.1961 3.7117 3.7138 4.0775 4.0777 4.1603 4.1619 4.3841 4.3867 7.4059 7.5275 8.3036 8.3785 8.7515 8.7927 9.3048 9.3065 9.4549 9.4642 k = 0.0000 0.0000 0.6534 ( 19652 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5818 -12.5818 -10.0305 -10.0305 -10.0263 -10.0263 -10.0123 -10.0123 -8.1660 -8.1660 -6.7530 -6.7530 -6.7045 -6.7045 -6.4619 -6.4619 -2.6577 -2.6577 -1.5082 -1.5082 0.7305 0.7305 1.9528 1.9528 2.1126 2.1126 2.4239 2.4239 2.7473 2.7473 3.0435 3.0435 3.1890 3.1890 3.7147 3.7147 4.0841 4.0841 4.1549 4.1549 4.3854 4.3854 7.4658 7.4658 8.3428 8.3428 8.7701 8.7701 9.3056 9.3056 9.4567 9.4567 k = 0.0000 0.0000 0.6534 ( 19652 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5818 -12.5818 -10.0305 -10.0305 -10.0263 -10.0263 -10.0123 -10.0123 -8.1660 -8.1660 -6.7530 -6.7530 -6.7045 -6.7045 -6.4619 -6.4619 -2.6577 -2.6577 -1.5082 -1.5082 0.7305 0.7305 1.9528 1.9528 2.1126 2.1126 2.4239 2.4239 2.7473 2.7473 3.0435 3.0435 3.1890 3.1890 3.7147 3.7147 4.0841 4.0841 4.1549 4.1549 4.3854 4.3854 7.4658 7.4658 8.3428 8.3428 8.7701 8.7701 9.3056 9.3056 9.4567 9.4567 k =-0.0141 0.0119 0.6534 ( 19650 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5826 -12.5818 -12.5817 -10.0305 -10.0305 -10.0268 -10.0259 -10.0123 -10.0123 -8.1656 -8.1654 -6.7530 -6.7529 -6.7054 -6.7044 -6.4633 -6.4618 -2.6564 -2.6558 -1.5118 -1.5109 0.7323 0.7329 1.9336 1.9599 2.1059 2.1175 2.4261 2.4437 2.7406 2.7424 3.0457 3.0481 3.1882 3.1903 3.7161 3.7166 4.0830 4.0849 4.1561 4.1563 4.3843 4.3846 7.4644 7.4665 8.3405 8.3441 8.7703 8.7704 9.2923 9.3109 9.4553 9.4572 k =-0.0283 0.0238 0.6534 ( 19654 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5826 -12.5819 -12.5816 -10.0304 -10.0304 -10.0273 -10.0253 -10.0124 -10.0123 -8.1643 -8.1639 -6.7528 -6.7528 -6.7069 -6.7049 -6.4659 -6.4630 -2.6520 -2.6507 -1.5215 -1.5197 0.7379 0.7393 1.9065 1.9527 2.1003 2.1195 2.4498 2.4824 2.7236 2.7269 3.0539 3.0583 3.1880 3.1923 3.7210 3.7218 4.0818 4.0854 4.1599 4.1601 4.3814 4.3820 7.4627 7.4665 8.3373 8.3445 8.7708 8.7713 9.2712 9.3075 9.4534 9.4571 k =-0.0424 0.0357 0.6534 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5825 -12.5819 -12.5815 -10.0303 -10.0303 -10.0277 -10.0248 -10.0124 -10.0122 -8.1620 -8.1614 -6.7527 -6.7526 -6.7091 -6.7062 -6.4698 -6.4655 -2.6444 -2.6426 -1.5371 -1.5344 0.7475 0.7496 1.8754 1.9333 2.0971 2.1193 2.4912 2.5347 2.6990 2.7033 3.0654 3.0714 3.1881 3.1950 3.7295 3.7308 4.0803 4.0857 4.1661 4.1664 4.3768 4.3775 7.4606 7.4652 8.3329 8.3439 8.7715 8.7727 9.2425 9.2942 9.4517 9.4571 k =-0.0565 0.0475 0.6534 ( 19680 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5825 -12.5819 -12.5814 -10.0302 -10.0301 -10.0280 -10.0243 -10.0125 -10.0122 -8.1587 -8.1579 -6.7524 -6.7524 -6.7120 -6.7082 -6.4749 -6.4693 -2.6340 -2.6316 -1.5582 -1.5547 0.7607 0.7639 1.8434 1.9065 2.0957 2.1177 2.5446 2.5947 2.6702 2.6757 3.0776 3.0848 3.1887 3.1986 3.7422 3.7439 4.0788 4.0858 4.1744 4.1749 4.3705 4.3711 7.4582 7.4624 8.3269 8.3421 8.7724 8.7748 9.2067 9.2700 9.4512 9.4577 k =-0.0706 0.0594 0.6534 ( 19686 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5824 -12.5820 -12.5813 -10.0300 -10.0299 -10.0283 -10.0237 -10.0126 -10.0122 -8.1546 -8.1536 -6.7521 -6.7520 -6.7156 -6.7109 -6.4812 -6.4742 -2.6209 -2.6180 -1.5842 -1.5800 0.7774 0.7819 1.8124 1.8770 2.0948 2.1154 2.5963 2.6274 2.6493 2.6779 3.0883 3.0963 3.1895 3.2034 3.7595 3.7615 4.0773 4.0857 4.1846 4.1853 4.3628 4.3630 7.4555 7.4574 8.3193 8.3388 8.7729 8.7777 9.1650 9.2340 9.4525 9.4593 k =-0.0848 0.0713 0.6534 ( 19674 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5824 -12.5820 -12.5812 -10.0298 -10.0297 -10.0285 -10.0231 -10.0127 -10.0122 -8.1495 -8.1483 -6.7517 -6.7516 -6.7197 -6.7143 -6.4884 -6.4803 -2.6055 -2.6021 -1.6144 -1.6096 0.7973 0.8034 1.7837 1.8477 2.0938 2.1125 2.5867 2.5973 2.6943 2.7442 3.0960 3.1047 3.1907 3.2096 3.7818 3.7840 4.0760 4.0856 4.1964 4.1973 4.3532 4.3538 7.4497 7.4525 8.3094 8.3337 8.7723 8.7814 9.1194 9.1865 9.4560 9.4625 k =-0.0989 0.0832 0.6534 ( 19678 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5823 -12.5819 -12.5811 -10.0298 -10.0294 -10.0285 -10.0225 -10.0127 -10.0122 -8.1436 -8.1421 -6.7512 -6.7511 -6.7246 -6.7184 -6.4966 -6.4874 -2.5882 -2.5844 -1.6480 -1.6427 0.8202 0.8283 1.7581 1.8202 2.0925 2.1092 2.5517 2.5604 2.7680 2.8171 3.1000 3.1092 3.1922 3.2179 3.8089 3.8114 4.0750 4.0855 4.2092 4.2106 4.3422 4.3440 7.4385 7.4489 8.2971 8.3263 8.7691 8.7860 9.0730 9.1284 9.4615 9.4675 k =-0.1130 0.0951 0.6534 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5823 -12.5819 -12.5810 -10.0299 -10.0291 -10.0283 -10.0219 -10.0128 -10.0122 -8.1368 -8.1350 -6.7507 -6.7506 -6.7300 -6.7232 -6.5055 -6.4954 -2.5696 -2.5655 -1.6841 -1.6784 0.8459 0.8562 1.7361 1.7955 2.0907 2.1056 2.5138 2.5221 2.8468 2.8890 3.1000 3.1097 3.1943 3.2296 3.8409 3.8436 4.0743 4.0855 4.2226 4.2247 4.3305 4.3340 7.4229 7.4447 8.2821 8.3164 8.7608 8.7913 9.0301 9.0612 9.4692 9.4746 k =-0.1272 0.1070 0.6534 ( 19688 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5822 -12.5819 -12.5809 -10.0300 -10.0287 -10.0280 -10.0214 -10.0129 -10.0122 -8.1293 -8.1271 -6.7501 -6.7500 -6.7360 -6.7286 -6.5152 -6.5043 -2.5504 -2.5461 -1.7216 -1.7154 0.8741 0.8871 1.7181 1.7743 2.0885 2.1018 2.4752 2.4834 2.9263 2.9560 3.0963 3.1064 3.1976 3.2465 3.8773 3.8802 4.0739 4.0854 4.2355 4.2393 4.3194 4.3246 7.4021 7.4397 8.2642 8.3033 8.7439 8.7967 8.9870 8.9961 9.4790 9.4838 k =-0.1413 0.1189 0.6534 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5831 -12.5821 -12.5819 -12.5808 -10.0302 -10.0283 -10.0276 -10.0208 -10.0131 -10.0122 -8.1209 -8.1184 -6.7495 -6.7494 -6.7425 -6.7347 -6.5254 -6.5139 -2.5316 -2.5272 -1.7591 -1.7526 0.9045 0.9206 1.7043 1.7568 2.0859 2.0977 2.4365 2.4449 3.0024 3.0131 3.0893 3.1004 3.2041 3.2715 3.9176 3.9206 4.0736 4.0851 4.2461 4.2538 4.3114 4.3174 7.3753 7.4335 8.2434 8.2869 8.7160 8.7998 8.9099 8.9752 9.4908 9.4954 k =-0.1554 0.1307 0.6534 ( 19696 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5831 -12.5821 -12.5819 -12.5807 -10.0303 -10.0279 -10.0272 -10.0202 -10.0132 -10.0123 -8.1118 -8.1090 -6.7502 -6.7489 -6.7481 -6.7414 -6.5361 -6.5241 -2.5143 -2.5100 -1.7951 -1.7884 0.9370 0.9567 1.6947 1.7432 2.0829 2.0933 2.3982 2.4068 3.0550 3.0615 3.0809 3.0986 3.2189 3.3067 3.9610 3.9642 4.0732 4.0841 4.2512 4.2673 4.3106 4.3147 7.3417 7.4260 8.2197 8.2668 8.6782 8.7831 8.8491 8.9676 9.5046 9.5093 k =-0.1695 0.1426 0.6534 ( 19684 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5831 -12.5820 -12.5818 -12.5806 -10.0304 -10.0275 -10.0267 -10.0196 -10.0133 -10.0123 -8.1020 -8.0989 -6.7573 -6.7498 -6.7478 -6.7471 -6.5471 -6.5348 -2.5000 -2.4959 -1.8280 -1.8210 0.9714 0.9949 1.6895 1.7336 2.0795 2.0886 2.3606 2.3695 3.0621 3.0677 3.0903 3.1250 3.2529 3.3508 4.0071 4.0103 4.0718 4.0822 4.2508 4.2791 4.3186 4.3187 7.3009 7.4170 8.1933 8.2427 8.6341 8.7149 8.8378 8.9707 9.5204 9.5254 k =-0.1837 0.1545 0.6534 ( 19684 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5819 -12.5818 -12.5805 -10.0305 -10.0270 -10.0263 -10.0190 -10.0135 -10.0123 -8.0915 -8.0881 -6.7653 -6.7570 -6.7470 -6.7470 -6.5583 -6.5460 -2.4904 -2.4865 -1.8558 -1.8485 1.0074 1.0353 1.6885 1.7280 2.0759 2.0837 2.3238 2.3332 3.0485 3.0547 3.1067 3.1425 3.3076 3.3987 4.0551 4.0566 4.0685 4.0808 4.2502 4.2908 4.3295 4.3329 7.2527 7.4060 8.1646 8.2144 8.5876 8.6303 8.8424 8.9812 9.5380 9.5436 k =-0.1978 0.1664 0.6534 ( 19704 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5819 -12.5817 -12.5804 -10.0306 -10.0266 -10.0258 -10.0185 -10.0136 -10.0123 -8.0805 -8.0767 -6.7736 -6.7653 -6.7463 -6.7462 -6.5696 -6.5574 -2.4871 -2.4836 -1.8765 -1.8690 1.0451 1.0775 1.6918 1.7265 2.0719 2.0785 2.2881 2.2980 3.0323 3.0385 3.1162 3.1475 3.3688 3.4442 4.0628 4.0702 4.1045 4.1122 4.2544 4.3057 4.3456 4.3503 7.1976 7.3929 8.1339 8.1817 8.5411 8.5446 8.8489 8.9966 9.5571 9.5635 k =-0.2119 0.1783 0.6534 ( 19704 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5818 -12.5817 -12.5803 -10.0306 -10.0261 -10.0253 -10.0179 -10.0138 -10.0123 -8.0690 -8.0648 -6.7822 -6.7741 -6.7455 -6.7454 -6.5810 -6.5690 -2.4915 -2.4884 -1.8887 -1.8811 1.0841 1.1215 1.6993 1.7289 2.0677 2.0729 2.2535 2.2642 3.0147 3.0207 3.1204 3.1465 3.4259 3.4823 4.0550 4.0656 4.1545 4.1628 4.2663 4.3250 4.3662 4.3699 7.1363 7.3774 8.1014 8.1446 8.4611 8.4958 8.8548 9.0149 9.5776 9.5848 k =-0.2261 0.1902 0.6534 ( 19694 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5817 -12.5816 -12.5802 -10.0306 -10.0257 -10.0247 -10.0174 -10.0139 -10.0123 -8.0570 -8.0524 -6.7911 -6.7833 -6.7447 -6.7446 -6.5923 -6.5808 -2.5043 -2.5016 -1.8917 -1.8840 1.1245 1.1670 1.7109 1.7353 2.0633 2.0670 2.2203 2.2320 2.9963 3.0020 3.1207 3.1420 3.4728 3.5093 4.0471 4.0615 4.2042 4.2148 4.2868 4.3465 4.3918 4.3931 7.0699 7.3595 8.0672 8.1032 8.3819 8.4523 8.8589 9.0346 9.5991 9.6072 k =-0.2402 0.2021 0.6534 ( 19694 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5817 -12.5816 -12.5801 -10.0305 -10.0252 -10.0242 -10.0169 -10.0141 -10.0123 -8.0446 -8.0398 -6.8002 -6.7927 -6.7439 -6.7437 -6.6036 -6.5925 -2.5250 -2.5227 -1.8856 -1.8780 1.1662 1.2140 1.7264 1.7457 2.0586 2.0606 2.1886 2.2015 2.9774 2.9828 3.1179 3.1351 3.5057 3.5230 4.0418 4.0601 4.2523 4.2674 4.3156 4.3671 4.4167 4.4282 7.0001 7.3390 8.0316 8.0578 8.3084 8.4109 8.8602 9.0540 9.6211 9.6301 k =-0.2543 0.2140 0.6534 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5816 -12.5815 -12.5801 -10.0304 -10.0248 -10.0237 -10.0165 -10.0143 -10.0123 -8.0320 -8.0268 -6.8094 -6.8023 -6.7431 -6.7429 -6.6146 -6.6043 -2.5525 -2.5505 -1.8716 -1.8642 1.2091 1.2622 1.7457 1.7598 2.0535 2.0536 2.1586 2.1732 2.9583 2.9634 3.1124 3.1259 3.5221 3.5230 4.0414 4.0627 4.2964 4.3196 4.3522 4.3859 4.4458 4.4705 6.9285 7.3164 7.9947 8.0094 8.2410 8.3715 8.8577 9.0713 9.6432 9.6532 k =-0.2684 0.2258 0.6534 ( 19650 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5815 -12.5815 -12.5800 -10.0303 -10.0244 -10.0232 -10.0160 -10.0145 -10.0123 -8.0191 -8.0137 -6.8186 -6.8119 -6.7422 -6.7420 -6.6254 -6.6159 -2.5853 -2.5836 -1.8513 -1.8442 1.2532 1.3115 1.7686 1.7776 2.0456 2.0479 2.1305 2.1474 2.9394 2.9442 3.1044 3.1147 3.5101 3.5215 4.0473 4.0698 4.3341 4.3698 4.3953 4.4048 4.4806 4.5171 6.8570 7.2918 7.9565 7.9594 8.1799 8.3342 8.8507 9.0845 9.6647 9.6760 k =-0.2826 0.2377 0.6534 ( 19634 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5814 -12.5814 -12.5800 -10.0301 -10.0240 -10.0227 -10.0157 -10.0146 -10.0123 -8.0061 -8.0004 -6.8277 -6.8215 -6.7414 -6.7412 -6.6360 -6.6272 -2.6216 -2.6201 -1.8263 -1.8196 1.2985 1.3617 1.7949 1.7991 2.0362 2.0414 2.1049 2.1246 2.9207 2.9252 3.0941 3.1015 3.4859 3.5054 4.0593 4.0812 4.3650 4.4075 4.4343 4.4423 4.5213 4.5650 6.7876 7.2660 7.9095 7.9174 8.1246 8.2988 8.8384 9.0918 9.6845 9.6984 k =-0.2967 0.2496 0.6534 ( 19634 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5826 -12.5814 -12.5813 -12.5799 -10.0299 -10.0236 -10.0222 -10.0155 -10.0146 -10.0123 -7.9932 -7.9873 -6.8366 -6.8310 -6.7407 -6.7404 -6.6462 -6.6384 -2.6600 -2.6587 -1.7980 -1.7918 1.3450 1.4128 1.8238 1.8242 2.0249 2.0332 2.0827 2.1054 2.9025 2.9067 3.0815 3.0864 3.4524 3.4763 4.0765 4.0964 4.3901 4.4263 4.4807 4.4906 4.5665 4.6115 6.7224 7.2396 7.8611 7.8776 8.0748 8.2654 8.8205 9.0914 9.7015 9.7198 k =-0.3108 0.2615 0.6534 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5825 -12.5813 -12.5813 -12.5799 -10.0296 -10.0233 -10.0218 -10.0155 -10.0144 -10.0123 -7.9803 -7.9743 -6.8453 -6.8403 -6.7399 -6.7396 -6.6561 -6.6492 -2.6993 -2.6982 -1.7678 -1.7621 1.3927 1.4646 1.8518 1.8561 2.0118 2.0220 2.0652 2.0901 2.8849 2.8888 3.0666 3.0693 3.4117 3.4371 4.0976 4.1149 4.4109 4.4406 4.5293 4.5384 4.6130 4.6541 6.6633 7.2135 7.8154 7.8375 8.0301 8.2340 8.7967 9.0824 9.7140 9.7400 k =-0.3249 0.2734 0.6534 ( 19612 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5824 -12.5813 -12.5812 -12.5799 -10.0293 -10.0230 -10.0213 -10.0156 -10.0142 -10.0122 -7.9676 -7.9615 -6.8537 -6.8492 -6.7393 -6.7389 -6.6656 -6.6596 -2.7384 -2.7375 -1.7368 -1.7315 1.4415 1.5169 1.8825 1.8904 1.9970 2.0072 2.0532 2.0784 2.8681 2.8718 3.0495 3.0504 3.3652 3.3905 4.1216 4.1362 4.4286 4.4533 4.5770 4.5850 4.6576 4.6909 6.6123 7.1882 7.7731 7.7976 7.9911 8.2049 8.7672 9.0644 9.7211 9.7585 k =-0.3391 0.2853 0.6534 ( 19634 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5823 -12.5812 -12.5812 -12.5799 -10.0290 -10.0228 -10.0209 -10.0158 -10.0139 -10.0122 -7.9552 -7.9492 -6.8617 -6.8577 -6.7387 -6.7383 -6.6747 -6.6695 -2.7767 -2.7759 -1.7056 -1.7009 1.4915 1.5696 1.9155 1.9263 1.9814 1.9907 2.0452 2.0697 2.8522 2.8556 3.0296 3.0302 3.3147 3.3383 4.1480 4.1600 4.4441 4.4649 4.6229 4.6298 4.6972 4.7204 6.5711 7.1643 7.7344 7.7584 7.9585 8.1781 8.7324 9.0378 9.7235 9.7747 k =-0.3532 0.2972 0.6534 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5821 -12.5812 -12.5811 -12.5799 -10.0287 -10.0226 -10.0205 -10.0160 -10.0137 -10.0122 -7.9433 -7.9373 -6.8693 -6.8657 -6.7381 -6.7377 -6.6832 -6.6789 -2.8133 -2.8127 -1.6751 -1.6709 1.5425 1.6224 1.9483 1.9602 1.9687 1.9761 2.0396 2.0638 2.8373 2.8405 3.0070 3.0088 3.2612 3.2823 4.1762 4.1861 4.4577 4.4756 4.6666 4.6722 4.7295 4.7416 6.5414 7.1415 7.6992 7.7204 7.9334 8.1540 8.6930 9.0034 9.7231 9.7887 k =-0.3532 0.2972 0.6534 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5821 -12.5812 -12.5811 -12.5799 -10.0287 -10.0226 -10.0205 -10.0160 -10.0137 -10.0122 -7.9433 -7.9373 -6.8693 -6.8657 -6.7381 -6.7377 -6.6832 -6.6789 -2.8133 -2.8127 -1.6751 -1.6709 1.5425 1.6224 1.9483 1.9602 1.9687 1.9761 2.0396 2.0638 2.8373 2.8405 3.0070 3.0088 3.2612 3.2823 4.1762 4.1861 4.4577 4.4756 4.6666 4.6722 4.7295 4.7416 6.5414 7.1415 7.6992 7.7204 7.9334 8.1540 8.6930 9.0034 9.7231 9.7887 k =-0.3624 0.3049 0.6414 ( 19625 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5821 -12.5812 -12.5811 -12.5800 -10.0284 -10.0226 -10.0202 -10.0161 -10.0135 -10.0122 -7.9362 -7.9303 -6.8737 -6.8704 -6.7377 -6.7372 -6.6883 -6.6845 -2.8353 -2.8347 -1.6565 -1.6527 1.5745 1.6557 1.9537 1.9563 1.9771 1.9867 2.0381 2.0630 2.8297 2.8328 2.9926 2.9954 3.2259 3.2451 4.1934 4.2020 4.4657 4.4826 4.6927 4.6975 4.7470 4.7520 6.5270 7.1277 7.6755 7.7003 7.9202 8.1406 8.6660 8.9814 9.7218 9.7979 k =-0.3716 0.3126 0.6294 ( 19611 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5820 -12.5812 -12.5810 -12.5800 -10.0282 -10.0226 -10.0199 -10.0162 -10.0134 -10.0122 -7.9300 -7.9242 -6.8776 -6.8746 -6.7371 -6.7365 -6.6928 -6.6895 -2.8546 -2.8541 -1.6398 -1.6363 1.6037 1.6866 1.9465 1.9501 1.9818 2.0008 2.0416 2.0681 2.8258 2.8287 2.9799 2.9839 3.1912 3.2087 4.2072 4.2147 4.4736 4.4907 4.7155 4.7199 4.7600 4.7643 6.5148 7.1151 7.6519 7.6848 7.9080 8.1294 8.6392 8.9646 9.7195 9.8089 k =-0.3807 0.3203 0.6174 ( 19614 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5819 -12.5813 -12.5809 -12.5800 -10.0280 -10.0226 -10.0195 -10.0164 -10.0132 -10.0122 -7.9248 -7.9190 -6.8810 -6.8782 -6.7363 -6.7358 -6.6967 -6.6939 -2.8713 -2.8708 -1.6252 -1.6221 1.6292 1.7143 1.9402 1.9437 1.9828 2.0046 2.0509 2.0770 2.8258 2.8286 2.9685 2.9736 3.1582 3.1741 4.2179 4.2243 4.4814 4.4993 4.7347 4.7390 4.7676 4.7788 6.5049 7.1040 7.6316 7.6710 7.8973 8.1202 8.6139 8.9522 9.7169 9.8213 k =-0.3899 0.3280 0.6055 ( 19622 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5818 -12.5813 -12.5808 -12.5800 -10.0278 -10.0227 -10.0192 -10.0166 -10.0131 -10.0122 -7.9205 -7.9148 -6.8837 -6.8811 -6.7355 -6.7350 -6.7000 -6.6976 -2.8850 -2.8846 -1.6129 -1.6102 1.6506 1.7383 1.9352 1.9380 1.9831 2.0029 2.0614 2.0859 2.8297 2.8326 2.9577 2.9637 3.1281 3.1427 4.2258 4.2314 4.4889 4.5076 4.7498 4.7550 4.7734 4.7915 6.4971 7.0943 7.6158 7.6584 7.8885 8.1126 8.5914 8.9435 9.7143 9.8342 k =-0.3991 0.3357 0.5935 ( 19619 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5818 -12.5814 -12.5808 -12.5801 -10.0277 -10.0228 -10.0189 -10.0167 -10.0131 -10.0122 -7.9171 -7.9115 -6.8858 -6.8834 -6.7347 -6.7342 -6.7026 -6.7006 -2.8958 -2.8955 -1.6032 -1.6008 1.6675 1.7576 1.9311 1.9331 1.9845 2.0004 2.0696 2.0927 2.8371 2.8404 2.9468 2.9534 3.1024 3.1159 4.2314 4.2362 4.4957 4.5149 4.7610 4.7678 4.7778 4.8018 6.4914 7.0863 7.6044 7.6473 7.8817 8.1066 8.5727 8.9377 9.7121 9.8466 k =-0.4083 0.3435 0.5815 ( 19615 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5817 -12.5814 -12.5807 -12.5801 -10.0276 -10.0228 -10.0187 -10.0169 -10.0130 -10.0123 -7.9148 -7.9091 -6.8874 -6.8851 -6.7341 -6.7335 -6.7046 -6.7029 -2.9036 -2.9033 -1.5961 -1.5939 1.6796 1.7718 1.9279 1.9292 1.9870 1.9985 2.0748 2.0970 2.8470 2.8508 2.9357 2.9423 3.0828 3.0955 4.2350 4.2394 4.5013 4.5206 4.7687 4.7770 4.7808 4.8093 6.4876 7.0803 7.5972 7.6383 7.8769 8.1023 8.5587 8.9341 9.7104 9.8571 k =-0.4174 0.3512 0.5695 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5817 -12.5814 -12.5807 -12.5801 -10.0275 -10.0229 -10.0185 -10.0170 -10.0130 -10.0123 -7.9133 -7.9077 -6.8883 -6.8861 -6.7337 -6.7331 -6.7057 -6.7043 -2.9082 -2.9080 -1.5918 -1.5898 1.6868 1.7805 1.9259 1.9265 1.9896 1.9973 2.0775 2.0991 2.8567 2.8612 2.9257 2.9319 3.0707 3.0827 4.2370 4.2411 4.5049 4.5242 4.7732 4.7822 4.7829 4.8139 6.4854 7.0766 7.5933 7.6323 7.8740 8.0996 8.5500 8.9321 9.7093 9.8643 k =-0.4266 0.3589 0.5575 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5815 -12.5807 -12.5801 -10.0275 -10.0229 -10.0184 -10.0170 -10.0129 -10.0123 -7.9129 -7.9073 -6.8886 -6.8864 -6.7335 -6.7330 -6.7061 -6.7048 -2.9098 -2.9096 -1.5903 -1.5885 1.6892 1.7834 1.9254 1.9255 1.9909 1.9968 2.0783 2.0998 2.8611 2.8661 2.9212 2.9270 3.0666 3.0784 4.2377 4.2417 4.5061 4.5254 4.7747 4.7830 4.7846 4.8154 6.4847 7.0753 7.5922 7.6301 7.8731 8.0987 8.5471 8.9314 9.7090 9.8668 k =-0.4266 0.3589 0.5575 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5815 -12.5807 -12.5801 -10.0275 -10.0229 -10.0184 -10.0170 -10.0129 -10.0123 -7.9129 -7.9073 -6.8886 -6.8864 -6.7335 -6.7330 -6.7061 -6.7048 -2.9098 -2.9096 -1.5903 -1.5885 1.6892 1.7834 1.9254 1.9255 1.9909 1.9968 2.0783 2.0998 2.8611 2.8661 2.9212 2.9270 3.0666 3.0784 4.2377 4.2417 4.5061 4.5254 4.7747 4.7830 4.7846 4.8154 6.4847 7.0753 7.5922 7.6301 7.8731 8.0987 8.5471 8.9314 9.7090 9.8668 k =-0.4164 0.3504 0.5442 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5818 -12.5815 -12.5807 -12.5800 -10.0279 -10.0231 -10.0183 -10.0171 -10.0131 -10.0123 -7.9241 -7.9180 -6.8826 -6.8801 -6.7319 -6.7315 -6.6995 -6.6977 -2.8797 -2.8794 -1.6152 -1.6132 1.6298 1.7289 1.9371 1.9398 1.9798 1.9817 2.0404 2.0617 2.8948 2.9001 2.9518 2.9604 3.1125 3.1299 4.1937 4.1963 4.4981 4.5183 4.7514 4.7535 4.8051 4.8265 6.4530 7.0994 7.6126 7.6587 7.8520 8.1147 8.5982 9.0140 9.7064 9.8714 k =-0.4063 0.3418 0.5309 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5819 -12.5816 -12.5807 -12.5800 -10.0283 -10.0234 -10.0181 -10.0171 -10.0133 -10.0124 -7.9367 -7.9300 -6.8759 -6.8731 -6.7299 -6.7299 -6.6918 -6.6897 -2.8463 -2.8460 -1.6420 -1.6400 1.5690 1.6725 1.9412 1.9524 1.9675 1.9722 2.0050 2.0233 2.9327 2.9385 2.9824 2.9942 3.1583 3.1816 4.1495 4.1507 4.4868 4.5069 4.7167 4.7226 4.8236 4.8419 6.4273 7.1214 7.6336 7.6801 7.8486 8.1363 8.6500 9.0960 9.7060 9.8642 k =-0.3961 0.3333 0.5177 ( 19640 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5820 -12.5817 -12.5807 -12.5799 -10.0287 -10.0238 -10.0180 -10.0172 -10.0135 -10.0124 -7.9504 -7.9433 -6.8685 -6.8654 -6.7279 -6.7277 -6.6832 -6.6808 -2.8100 -2.8096 -1.6706 -1.6685 1.5077 1.6150 1.9285 1.9402 1.9532 1.9672 1.9943 1.9964 2.9745 2.9810 3.0127 3.0283 3.2031 3.2327 4.1050 4.1053 4.4713 4.4900 4.6814 4.6894 4.8385 4.8551 6.4085 7.1416 7.6551 7.6906 7.8664 8.1633 8.7013 9.1767 9.7080 9.8472 k =-0.3860 0.3247 0.5044 ( 19630 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5822 -12.5818 -12.5807 -12.5799 -10.0291 -10.0242 -10.0177 -10.0173 -10.0137 -10.0125 -7.9653 -7.9578 -6.8604 -6.8570 -6.7256 -6.7250 -6.6738 -6.6709 -2.7711 -2.7706 -1.7004 -1.6983 1.4463 1.5572 1.9021 1.9175 1.9214 1.9354 2.0062 2.0132 3.0192 3.0263 3.0430 3.0628 3.2465 3.2826 4.0593 4.0613 4.4507 4.4665 4.6466 4.6556 4.8495 4.8648 6.3975 7.1610 7.6767 7.6939 7.9017 8.1957 8.7508 9.2548 9.7126 9.8244 k =-0.3758 0.3162 0.4911 ( 19636 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5823 -12.5819 -12.5807 -12.5799 -10.0295 -10.0247 -10.0175 -10.0174 -10.0139 -10.0126 -7.9812 -7.9734 -6.8517 -6.8479 -6.7229 -6.7219 -6.6635 -6.6603 -2.7298 -2.7293 -1.7309 -1.7289 1.3854 1.4995 1.8647 1.8895 1.8943 1.8976 2.0289 2.0356 3.0645 3.0646 3.0823 3.0992 3.2880 3.3308 4.0139 4.0176 4.4245 4.4358 4.6127 4.6222 4.8564 4.8706 6.3950 7.1803 7.6966 7.6982 7.9475 8.2331 8.7973 9.3288 9.7202 9.7987 k =-0.3657 0.3076 0.4779 ( 19630 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5824 -12.5820 -12.5808 -12.5798 -10.0299 -10.0252 -10.0176 -10.0173 -10.0142 -10.0127 -7.9982 -7.9902 -6.8423 -6.8382 -6.7196 -6.7182 -6.6525 -6.6489 -2.6868 -2.6862 -1.7616 -1.7597 1.3252 1.4422 1.8235 1.8506 1.8674 1.8675 2.0545 2.0608 3.0917 3.1054 3.1340 3.1417 3.3272 3.3770 3.9689 3.9743 4.3924 4.3982 4.5797 4.5895 4.8591 4.8723 6.4013 7.2001 7.7026 7.7195 7.9990 8.2752 8.8394 9.3962 9.7309 9.7730 k =-0.3555 0.2991 0.4646 ( 19654 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5826 -12.5822 -12.5808 -12.5798 -10.0302 -10.0257 -10.0178 -10.0171 -10.0145 -10.0127 -8.0161 -8.0079 -6.8323 -6.8278 -6.7159 -6.7140 -6.6407 -6.6368 -2.6426 -2.6418 -1.7919 -1.7902 1.2661 1.3859 1.7814 1.8087 1.8379 1.8393 2.0822 2.0882 3.1152 3.1388 3.1893 3.1923 3.3639 3.4210 3.9245 3.9318 4.3547 4.3551 4.5470 4.5574 4.8576 4.8697 6.4167 7.2214 7.7137 7.7405 8.0538 8.3217 8.8764 9.4521 9.7451 9.7525 k =-0.3453 0.2905 0.4513 ( 19658 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5823 -12.5808 -12.5798 -10.0305 -10.0263 -10.0179 -10.0170 -10.0147 -10.0128 -8.0348 -8.0265 -6.8217 -6.8169 -6.7115 -6.7092 -6.6283 -6.6241 -2.5979 -2.5969 -1.8208 -1.8194 1.2083 1.3305 1.7390 1.7665 1.8072 1.8096 2.1116 2.1173 3.1358 3.1673 3.2466 3.2476 3.3977 3.4625 3.8809 3.8902 4.3065 4.3134 4.5138 4.5253 4.8520 4.8629 6.4412 7.2448 7.7305 7.7611 8.1103 8.3721 8.9076 9.4885 9.7455 9.7628 k =-0.3352 0.2820 0.4380 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5828 -12.5824 -12.5809 -12.5798 -10.0308 -10.0269 -10.0181 -10.0168 -10.0150 -10.0130 -8.0543 -8.0459 -6.8106 -6.8054 -6.7066 -6.7038 -6.6153 -6.6107 -2.5538 -2.5526 -1.8473 -1.8463 1.1520 1.2765 1.6966 1.7242 1.7754 1.7786 2.1425 2.1479 3.1530 3.1921 3.3052 3.3053 3.4284 3.5014 3.8384 3.8501 4.2547 4.2682 4.4797 4.4928 4.8423 4.8519 6.4744 7.2708 7.7530 7.7814 8.1673 8.4260 8.9329 9.4975 9.7603 9.7839 k =-0.3250 0.2735 0.4248 ( 19680 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5829 -12.5825 -12.5809 -12.5799 -10.0310 -10.0274 -10.0184 -10.0167 -10.0154 -10.0131 -8.0744 -8.0661 -6.7989 -6.7935 -6.7012 -6.6979 -6.6017 -6.5969 -2.5117 -2.5101 -1.8699 -1.8695 1.0974 1.2239 1.6544 1.6822 1.7426 1.7466 2.1745 2.1797 3.1665 3.2134 3.3639 3.3642 3.4557 3.5376 3.7975 3.8118 4.2004 4.2204 4.4450 4.4597 4.8285 4.8368 6.5160 7.2996 7.7811 7.8014 8.2237 8.4829 8.9528 9.4821 9.7942 9.8078 k =-0.3149 0.2649 0.4115 ( 19688 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5830 -12.5826 -12.5810 -12.5799 -10.0313 -10.0280 -10.0186 -10.0166 -10.0157 -10.0132 -8.0951 -8.0868 -6.7868 -6.7810 -6.6951 -6.6913 -6.5877 -6.5825 -2.4734 -2.4713 -1.8871 -1.8869 1.0446 1.1730 1.6126 1.6404 1.7091 1.7137 2.2075 2.2123 3.1759 3.2310 3.4223 3.4229 3.4792 3.5708 3.7587 3.7762 4.1443 4.1709 4.4099 4.4262 4.8110 4.8178 6.5652 7.3313 7.8148 7.8212 8.2787 8.5423 8.9683 9.4523 9.8331 9.8368 k =-0.3047 0.2564 0.3982 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5832 -12.5827 -12.5811 -12.5799 -10.0315 -10.0286 -10.0188 -10.0165 -10.0160 -10.0133 -8.1162 -8.1080 -6.7743 -6.7682 -6.6885 -6.6842 -6.5732 -6.5677 -2.4411 -2.4385 -1.8968 -1.8959 0.9937 1.1238 1.5712 1.5991 1.6752 1.6803 2.2409 2.2454 3.1805 3.2444 3.4781 3.4802 3.5002 3.6005 3.7233 3.7445 4.0867 4.1200 4.3753 4.3927 4.7899 4.7950 6.6212 7.3657 7.8411 7.8540 8.3310 8.6038 8.9810 9.4158 9.8574 9.8784 k =-0.2946 0.2478 0.3849 ( 19678 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5833 -12.5828 -12.5811 -12.5799 -10.0317 -10.0291 -10.0191 -10.0164 -10.0163 -10.0134 -8.1376 -8.1296 -6.7613 -6.7550 -6.6813 -6.6766 -6.5583 -6.5525 -2.4173 -2.4142 -1.8961 -1.8944 0.9450 1.0764 1.5303 1.5582 1.6409 1.6465 2.2745 2.2785 3.1801 3.2529 3.5070 3.5339 3.5404 3.6250 3.6949 3.7186 4.0283 4.0681 4.3421 4.3600 4.7653 4.7688 6.6831 7.4022 7.8614 7.8989 8.3796 8.6670 8.9929 9.3769 9.8756 9.9070 k =-0.2844 0.2393 0.3717 ( 19676 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5834 -12.5829 -12.5812 -12.5800 -10.0318 -10.0297 -10.0194 -10.0166 -10.0164 -10.0136 -8.1594 -8.1515 -6.7481 -6.7414 -6.6736 -6.6684 -6.5431 -6.5370 -2.4038 -2.4002 -1.8832 -1.8808 0.8983 1.0310 1.4899 1.5178 1.6065 1.6124 2.3078 2.3113 3.1742 3.2560 3.5140 3.5760 3.5920 3.6408 3.6849 3.7013 3.9693 4.0153 4.3112 4.3291 4.7375 4.7393 6.7502 7.4404 7.8825 7.9495 8.4233 8.7313 9.0062 9.3379 9.8823 9.9140 k =-0.2742 0.2307 0.3584 ( 19668 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5834 -12.5830 -12.5813 -12.5801 -10.0319 -10.0302 -10.0196 -10.0169 -10.0164 -10.0137 -8.1812 -8.1736 -6.7345 -6.7276 -6.6655 -6.6598 -6.5276 -6.5212 -2.4010 -2.3970 -1.8575 -1.8545 0.8540 0.9876 1.4503 1.4781 1.5721 1.5783 2.3402 2.3430 3.1625 3.2531 3.5126 3.5826 3.6354 3.6671 3.6974 3.6991 3.9102 3.9619 4.2833 4.3009 4.7068 4.7069 6.8215 7.4799 7.9049 8.0058 8.4609 8.7964 9.0227 9.3003 9.8797 9.9105 k =-0.2641 0.2222 0.3451 ( 19668 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5835 -12.5831 -12.5814 -12.5801 -10.0320 -10.0307 -10.0200 -10.0172 -10.0164 -10.0139 -8.2032 -8.1958 -6.7207 -6.7135 -6.6568 -6.6508 -6.5119 -6.5053 -2.4077 -2.4037 -1.8201 -1.8167 0.8119 0.9463 1.4113 1.4390 1.5378 1.5442 2.3711 2.3731 3.1452 3.2437 3.5044 3.5645 3.6574 3.7051 3.7198 3.7233 3.8521 3.9081 4.2592 4.2763 4.6718 4.6735 6.8960 7.5202 7.9291 8.0676 8.4921 8.8617 9.0441 9.2654 9.8749 9.9070 k =-0.2539 0.2136 0.3318 ( 19680 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5836 -12.5832 -12.5814 -12.5802 -10.0321 -10.0312 -10.0203 -10.0175 -10.0165 -10.0141 -8.2250 -8.2179 -6.7068 -6.6993 -6.6478 -6.6414 -6.4961 -6.4892 -2.4221 -2.4181 -1.7730 -1.7694 0.7722 0.9071 1.3732 1.4007 1.5039 1.5104 2.4000 2.4009 3.1223 3.2276 3.4926 3.5428 3.6650 3.7264 3.7540 3.7635 3.8007 3.8545 4.2392 4.2557 4.6345 4.6379 6.9730 7.5612 7.9556 8.1343 8.5169 8.9267 9.0713 9.2343 9.8722 9.9068 k =-0.2438 0.2051 0.3186 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5833 -12.5815 -12.5803 -10.0322 -10.0317 -10.0206 -10.0178 -10.0166 -10.0142 -8.2468 -8.2399 -6.6926 -6.6850 -6.6385 -6.6317 -6.4802 -6.4731 -2.4421 -2.4381 -1.7185 -1.7148 0.7350 0.8701 1.3359 1.3632 1.4702 1.4768 2.4256 2.4261 3.0943 3.2049 3.4800 3.5225 3.6687 3.7156 3.7596 3.7996 3.8070 3.8087 4.2234 4.2394 4.5953 4.6004 7.0515 7.6030 7.9849 8.2049 8.5367 8.9904 9.1044 9.2082 9.8733 9.9105 k =-0.2336 0.1965 0.3053 ( 19648 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5838 -12.5833 -12.5816 -12.5803 -10.0322 -10.0321 -10.0210 -10.0180 -10.0166 -10.0144 -8.2683 -8.2617 -6.6784 -6.6706 -6.6288 -6.6218 -6.4643 -6.4570 -2.4658 -2.4620 -1.6584 -1.6545 0.7002 0.8353 1.2995 1.3265 1.4369 1.4435 2.4465 2.4486 3.0617 3.1760 3.4688 3.5052 3.6651 3.6659 3.7586 3.7707 3.8432 3.8454 4.2116 4.2274 4.5546 4.5613 7.1309 7.6457 8.0173 8.2772 8.5540 9.0508 9.1427 9.1899 9.8785 9.9181 k =-0.2235 0.1880 0.2920 ( 19666 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5838 -12.5834 -12.5817 -12.5804 -10.0325 -10.0322 -10.0214 -10.0183 -10.0167 -10.0146 -8.2895 -8.2832 -6.6642 -6.6562 -6.6189 -6.6116 -6.4484 -6.4410 -2.4919 -2.4883 -1.5942 -1.5902 0.6679 0.8027 1.2641 1.2907 1.4041 1.4106 2.4626 2.4670 3.0251 3.1416 3.4604 3.4908 3.6126 3.6419 3.7353 3.7843 3.8773 3.8812 4.2036 4.2192 4.5128 4.5212 7.2104 7.6895 8.0530 8.3470 8.5737 9.0997 9.1855 9.1877 9.8879 9.9290 k =-0.2133 0.1795 0.2787 ( 19670 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5839 -12.5835 -12.5818 -12.5805 -10.0329 -10.0322 -10.0218 -10.0185 -10.0168 -10.0148 -8.3103 -8.3043 -6.6500 -6.6419 -6.6088 -6.6014 -6.4326 -6.4251 -2.5194 -2.5161 -1.5269 -1.5228 0.6381 0.7722 1.2298 1.2559 1.3717 1.3781 2.4735 2.4807 2.9854 3.1023 3.4550 3.4776 3.5632 3.6000 3.7325 3.7971 3.9074 3.9129 4.1988 4.2144 4.4705 4.4806 7.2894 7.7347 8.0919 8.4067 8.6040 9.1207 9.2184 9.2318 9.9007 9.9424 k =-0.2031 0.1709 0.2655 ( 19664 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5839 -12.5836 -12.5819 -12.5806 -10.0333 -10.0322 -10.0221 -10.0186 -10.0170 -10.0151 -8.3306 -8.3250 -6.6360 -6.6277 -6.5986 -6.5910 -6.4171 -6.4094 -2.5475 -2.5445 -1.4573 -1.4532 0.6108 0.7440 1.1965 1.2221 1.3398 1.3460 2.4785 2.4892 2.9432 3.0592 3.4511 3.4581 3.5267 3.5537 3.7379 3.8087 3.9330 3.9402 4.1968 4.2124 4.4283 4.4399 7.3673 7.7813 8.1336 8.4475 8.6540 9.1249 9.2716 9.2809 9.9165 9.9575 k =-0.1930 0.1624 0.2522 ( 19666 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5839 -12.5836 -12.5820 -12.5807 -10.0336 -10.0322 -10.0225 -10.0188 -10.0171 -10.0153 -8.3504 -8.3450 -6.6220 -6.6137 -6.5884 -6.5807 -6.4017 -6.3941 -2.5759 -2.5730 -1.3862 -1.3821 0.5860 0.7179 1.1644 1.1894 1.3083 1.3143 2.4774 2.4924 2.8994 3.0128 3.4229 3.4416 3.5128 3.5162 3.7459 3.8192 3.9540 3.9629 4.1969 4.2126 4.3867 4.4001 7.4436 7.8294 8.1778 8.4698 8.7233 9.1295 9.3303 9.3322 9.9343 9.9732 k =-0.1828 0.1538 0.2389 ( 19664 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5837 -12.5821 -12.5809 -10.0339 -10.0322 -10.0229 -10.0190 -10.0173 -10.0156 -8.3695 -8.3645 -6.6083 -6.6000 -6.5781 -6.5704 -6.3867 -6.3790 -2.6039 -2.6013 -1.3140 -1.3098 0.5638 0.6939 1.1335 1.1578 1.2772 1.2829 2.4702 2.4903 2.8547 2.9641 3.3787 3.4128 3.5029 3.5146 3.7547 3.8285 3.9703 3.9808 4.1986 4.2145 4.3468 4.3618 7.5179 7.8787 8.2236 8.4815 8.8040 9.1394 9.3852 9.3899 9.9534 9.9888 k =-0.1727 0.1453 0.2257 ( 19660 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5837 -12.5822 -12.5810 -10.0342 -10.0321 -10.0232 -10.0191 -10.0174 -10.0158 -8.3880 -8.3833 -6.5948 -6.5866 -6.5679 -6.5603 -6.3720 -6.3644 -2.6315 -2.6291 -1.2411 -1.2369 0.5440 0.6720 1.1038 1.1274 1.2465 1.2519 2.4572 2.4832 2.8098 2.9136 3.3332 3.3700 3.5088 3.5241 3.7637 3.8367 3.9817 3.9937 4.2011 4.2172 4.3098 4.3262 7.5897 7.9285 8.2704 8.4890 8.8894 9.1559 9.4398 9.4490 9.9728 10.0032 k =-0.1625 0.1367 0.2124 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5838 -12.5823 -12.5811 -10.0345 -10.0321 -10.0236 -10.0192 -10.0176 -10.0161 -8.4057 -8.4013 -6.5817 -6.5736 -6.5579 -6.5503 -6.3578 -6.3502 -2.6582 -2.6560 -1.1680 -1.1638 0.5266 0.6520 1.0755 1.0983 1.2162 1.2212 2.4390 2.4716 2.7655 2.8622 3.2887 3.3243 3.5227 3.5381 3.7725 3.8438 3.9882 4.0010 4.2038 4.2200 4.2775 4.2947 7.6586 7.9779 8.3174 8.4960 8.9752 9.1792 9.4958 9.5072 9.9914 10.0156 k =-0.1524 0.1282 0.1991 ( 19684 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5838 -12.5824 -12.5812 -10.0347 -10.0321 -10.0238 -10.0193 -10.0178 -10.0164 -8.4226 -8.4186 -6.5690 -6.5610 -6.5480 -6.5406 -6.3440 -6.3366 -2.6839 -2.6819 -1.0951 -1.0908 0.5117 0.6340 1.0486 1.0705 1.1862 1.1908 2.4162 2.4560 2.7224 2.8104 3.2462 3.2793 3.5403 3.5547 3.7809 3.8498 3.9896 4.0024 4.2053 4.2199 4.2539 4.2696 7.7241 8.0259 8.3642 8.5045 9.0590 9.2089 9.5531 9.5642 10.0081 10.0253 k =-0.1422 0.1196 0.1858 ( 19688 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5839 -12.5825 -12.5813 -10.0349 -10.0320 -10.0241 -10.0194 -10.0180 -10.0167 -8.4387 -8.4349 -6.5567 -6.5490 -6.5384 -6.5312 -6.3308 -6.3236 -2.7085 -2.7067 -1.0227 -1.0183 0.4990 0.6177 1.0231 1.0440 1.1564 1.1606 2.3898 2.4370 2.6808 2.7591 3.2061 3.2362 3.5594 3.5724 3.7887 3.8548 3.9862 3.9973 4.2034 4.2117 4.2454 4.2538 7.7856 8.0709 8.4105 8.5163 9.1385 9.2441 9.6115 9.6198 10.0218 10.0319 k =-0.1320 0.1111 0.1726 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5839 -12.5826 -12.5815 -10.0350 -10.0321 -10.0243 -10.0195 -10.0182 -10.0170 -8.4538 -8.4504 -6.5450 -6.5375 -6.5292 -6.5222 -6.3182 -6.3112 -2.7319 -2.7302 -0.9511 -0.9468 0.4886 0.6030 0.9991 1.0190 1.1268 1.1306 2.3606 2.4152 2.6412 2.7088 3.1684 3.1956 3.5786 3.5897 3.7959 3.8587 3.9782 3.9863 4.1977 4.2008 4.2470 4.2481 7.8427 8.1113 8.4558 8.5324 9.2124 9.2835 9.6703 9.6739 10.0319 10.0357 k =-0.1219 0.1025 0.1593 ( 19662 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5839 -12.5826 -12.5816 -10.0351 -10.0321 -10.0245 -10.0195 -10.0184 -10.0172 -8.4680 -8.4649 -6.5338 -6.5266 -6.5203 -6.5136 -6.3063 -6.2996 -2.7538 -2.7524 -0.8808 -0.8765 0.4803 0.5899 0.9767 0.9954 1.0975 1.1009 2.3298 2.3911 2.6038 2.6603 3.1333 3.1577 3.5966 3.6054 3.8025 3.8616 3.9668 3.9706 4.1918 4.1941 4.2491 4.2516 7.8951 8.1458 8.5001 8.5534 9.2796 9.3254 9.7262 9.7286 10.0374 10.0382 k =-0.1117 0.0940 0.1460 ( 19666 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5840 -12.5839 -12.5827 -12.5817 -10.0352 -10.0321 -10.0246 -10.0196 -10.0186 -10.0175 -8.4812 -8.4784 -6.5233 -6.5164 -6.5119 -6.5055 -6.2951 -6.2887 -2.7743 -2.7730 -0.8123 -0.8080 0.4740 0.5782 0.9558 0.9734 1.0684 1.0714 2.2983 2.3652 2.5687 2.6142 3.1010 3.1227 3.6123 3.6184 3.8082 3.8635 3.9525 3.9534 4.1886 4.1924 4.2531 4.2569 7.9424 8.1737 8.5428 8.5788 9.3397 9.3684 9.7766 9.7853 10.0381 10.0417 k =-0.1016 0.0855 0.1327 ( 19672 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5839 -12.5828 -12.5818 -10.0352 -10.0322 -10.0246 -10.0196 -10.0189 -10.0178 -8.4934 -8.4908 -6.5134 -6.5069 -6.5039 -6.4980 -6.2846 -6.2786 -2.7932 -2.7921 -0.7459 -0.7417 0.4697 0.5677 0.9366 0.9530 1.0398 1.0423 2.2671 2.3381 2.5360 2.5712 3.0714 3.0905 3.6247 3.6279 3.8132 3.8644 3.9342 3.9395 4.1890 4.1947 4.2583 4.2625 7.9846 8.1950 8.5835 8.6076 9.3930 9.4109 9.8248 9.8388 10.0392 10.0439 k =-0.0914 0.0769 0.1195 ( 19682 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6472 -12.5839 -12.5839 -12.5829 -12.5820 -10.0353 -10.0324 -10.0246 -10.0196 -10.0192 -10.0180 -8.5045 -8.5022 -6.5042 -6.4982 -6.4965 -6.4911 -6.2750 -6.2694 -2.8105 -2.8095 -0.6822 -0.6782 0.4671 0.5582 0.9191 0.9342 1.0116 1.0138 2.2371 2.3101 2.5059 2.5318 3.0446 3.0614 3.6332 3.6334 3.8175 3.8645 3.9173 3.9265 4.1926 4.1998 4.2642 4.2683 8.0220 8.2104 8.6214 8.6377 9.4401 9.4517 9.8706 9.8880 10.0416 10.0462 k =-0.0813 0.0684 0.1062 ( 19698 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5839 -12.5838 -12.5830 -12.5821 -10.0352 -10.0325 -10.0245 -10.0196 -10.0195 -10.0182 -8.5145 -8.5125 -6.4959 -6.4904 -6.4897 -6.4848 -6.2662 -6.2611 -2.8261 -2.8253 -0.6219 -0.6181 0.4661 0.5496 0.9033 0.9171 0.9842 0.9861 2.2092 2.2819 2.4783 2.4965 3.0207 3.0352 3.6351 3.6375 3.8213 3.8639 3.9031 3.9150 4.1985 4.2068 4.2704 4.2740 8.0549 8.2208 8.6556 8.6671 9.4818 9.4902 9.9137 9.9323 10.0455 10.0494 k =-0.0711 0.0598 0.0929 ( 19700 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5838 -12.5831 -12.5822 -10.0352 -10.0327 -10.0244 -10.0199 -10.0196 -10.0184 -8.5234 -8.5216 -6.4883 -6.4836 -6.4834 -6.4791 -6.2582 -6.2537 -2.8400 -2.8393 -0.5656 -0.5619 0.4665 0.5417 0.8892 0.9016 0.9580 0.9595 2.1839 2.2538 2.4535 2.4654 2.9996 3.0120 3.6335 3.6379 3.8248 3.8628 3.8920 3.9052 4.2060 4.2146 4.2767 4.2798 8.0837 8.2272 8.6855 8.6940 9.5191 9.5259 9.9536 9.9715 10.0509 10.0538 k =-0.0609 0.0513 0.0796 ( 19692 PWs) bands (ev): -39.6477 -39.6477 -39.6472 -39.6472 -12.5839 -12.5838 -12.5831 -12.5824 -10.0351 -10.0329 -10.0242 -10.0202 -10.0196 -10.0185 -8.5311 -8.5296 -6.4817 -6.4781 -6.4773 -6.4742 -6.2513 -6.2473 -2.8521 -2.8515 -0.5140 -0.5107 0.4682 0.5344 0.8769 0.8878 0.9334 0.9347 2.1620 2.2268 2.4316 2.4387 2.9814 2.9918 3.6295 3.6350 3.8282 3.8614 3.8837 3.8970 4.2142 4.2226 4.2830 4.2855 8.1088 8.2303 8.7106 8.7172 9.5526 9.5586 9.9899 10.0057 10.0573 10.0590 k =-0.0508 0.0427 0.0664 ( 19674 PWs) bands (ev): -39.6477 -39.6477 -39.6472 -39.6472 -12.5839 -12.5837 -12.5832 -12.5825 -10.0350 -10.0331 -10.0240 -10.0206 -10.0196 -10.0187 -8.5377 -8.5364 -6.4759 -6.4733 -6.4722 -6.4701 -6.2452 -6.2419 -2.8625 -2.8620 -0.4680 -0.4650 0.4711 0.5274 0.8662 0.8756 0.9111 0.9122 2.1438 2.2013 2.4127 2.4164 2.9660 2.9746 3.6243 3.6300 3.8316 3.8598 3.8779 3.8902 4.2222 4.2299 4.2892 4.2912 8.1308 8.2309 8.7308 8.7360 9.5826 9.5879 10.0219 10.0347 10.0641 10.0651 k =-0.0406 0.0342 0.0531 ( 19647 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5839 -12.5837 -12.5832 -12.5826 -10.0349 -10.0333 -10.0237 -10.0210 -10.0195 -10.0188 -8.5430 -8.5420 -6.4711 -6.4693 -6.4681 -6.4667 -6.2402 -6.2375 -2.8709 -2.8705 -0.4284 -0.4260 0.4748 0.5208 0.8571 0.8648 0.8920 0.8929 2.1298 2.1781 2.3969 2.3985 2.9536 2.9604 3.6187 3.6241 3.8351 3.8580 3.8740 3.8845 4.2295 4.2360 4.2950 4.2965 8.1500 8.2293 8.7463 8.7503 9.6088 9.6134 10.0478 10.0562 10.0721 10.0738 k =-0.0305 0.0256 0.0398 ( 19641 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5838 -12.5837 -12.5832 -12.5827 -10.0348 -10.0335 -10.0235 -10.0214 -10.0195 -10.0189 -8.5472 -8.5465 -6.4672 -6.4660 -6.4649 -6.4641 -6.2362 -6.2341 -2.8775 -2.8772 -0.3964 -0.3944 0.4793 0.5143 0.8494 0.8552 0.8770 0.8775 2.1202 2.1578 2.3843 2.3847 2.9441 2.9491 3.6138 3.6181 3.8386 3.8561 3.8715 3.8798 4.2355 4.2407 4.3001 4.3013 8.1667 8.2257 8.7576 8.7606 9.6307 9.6344 10.0634 10.0663 10.0842 10.0882 k =-0.0203 0.0171 0.0265 ( 19653 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5838 -12.5837 -12.5831 -12.5828 -10.0346 -10.0338 -10.0231 -10.0217 -10.0194 -10.0190 -8.5501 -8.5496 -6.4644 -6.4636 -6.4628 -6.4623 -6.2332 -6.2318 -2.8823 -2.8821 -0.3726 -0.3712 0.4844 0.5080 0.8432 0.8469 0.8668 0.8669 2.1152 2.1409 2.3751 2.3752 2.9376 2.9409 3.6100 3.6131 3.8421 3.8539 3.8704 3.8760 4.2402 4.2437 4.3042 4.3050 8.1812 8.2203 8.7652 8.7672 9.6473 9.6499 10.0698 10.0706 10.0986 10.1021 k =-0.0102 0.0085 0.0133 ( 19653 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5838 -12.5837 -12.5831 -12.5829 -10.0344 -10.0340 -10.0228 -10.0221 -10.0193 -10.0192 -8.5519 -8.5516 -6.4626 -6.4619 -6.4618 -6.4613 -6.2312 -6.2305 -2.8851 -2.8850 -0.3578 -0.3571 0.4899 0.5018 0.8392 0.8409 0.8610 0.8611 2.1149 2.1279 2.3694 2.3696 2.9340 2.9356 3.6079 3.6095 3.8454 3.8514 3.8703 3.8731 4.2434 4.2451 4.3070 4.3073 8.1937 8.2132 8.7697 8.7708 9.6579 9.6593 10.0725 10.0727 10.1090 10.1108 k = 0.0000 0.0000 0.0000 ( 19627 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5830 -12.5830 -10.0342 -10.0342 -10.0225 -10.0225 -10.0192 -10.0192 -8.5524 -8.5524 -6.4617 -6.4617 -6.4611 -6.4611 -6.2304 -6.2304 -2.8860 -2.8860 -0.3526 -0.3526 0.4957 0.4957 0.8382 0.8382 0.8592 0.8592 2.1192 2.1192 2.3676 2.3676 2.9333 2.9333 3.6077 3.6077 3.8486 3.8486 3.8712 3.8712 4.2450 4.2450 4.3080 4.3080 8.2043 8.2043 8.7716 8.7716 9.6620 9.6620 10.0733 10.0733 10.1132 10.1132 k = 0.0000 0.0000 0.0000 ( 19627 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5830 -12.5830 -10.0342 -10.0342 -10.0225 -10.0225 -10.0192 -10.0192 -8.5524 -8.5524 -6.4617 -6.4617 -6.4611 -6.4611 -6.2304 -6.2304 -2.8860 -2.8860 -0.3526 -0.3526 0.4957 0.4957 0.8382 0.8382 0.8592 0.8592 2.1192 2.1192 2.3676 2.3676 2.9333 2.9333 3.6077 3.6077 3.8486 3.8486 3.8712 3.8712 4.2450 4.2450 4.3080 4.3080 8.2043 8.2043 8.7716 8.7716 9.6620 9.6620 10.0733 10.0733 10.1132 10.1132 k = 0.0122 0.0145 0.0000 ( 19651 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5830 -12.5830 -10.0342 -10.0342 -10.0225 -10.0225 -10.0192 -10.0192 -8.5517 -8.5517 -6.4624 -6.4624 -6.4613 -6.4613 -6.2313 -6.2313 -2.8858 -2.8858 -0.3554 -0.3554 0.4992 0.4992 0.8390 0.8390 0.8599 0.8599 2.1217 2.1217 2.3699 2.3699 2.9287 2.9287 3.6128 3.6128 3.7988 3.7988 3.9192 3.9192 4.2445 4.2445 4.3070 4.3070 8.2021 8.2021 8.7732 8.7732 9.6603 9.6603 10.0724 10.0724 10.1150 10.1150 k = 0.0244 0.0290 0.0000 ( 19659 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5830 -12.5830 -10.0341 -10.0341 -10.0224 -10.0224 -10.0192 -10.0192 -8.5496 -8.5496 -6.4640 -6.4640 -6.4622 -6.4622 -6.2340 -6.2340 -2.8851 -2.8851 -0.3637 -0.3637 0.5095 0.5095 0.8412 0.8412 0.8621 0.8621 2.1293 2.1293 2.3768 2.3768 2.9153 2.9153 3.6274 3.6274 3.7386 3.7386 3.9743 3.9743 4.2431 4.2431 4.3041 4.3041 8.1957 8.1957 8.7775 8.7775 9.6551 9.6551 10.0699 10.0699 10.1205 10.1205 k = 0.0366 0.0435 0.0000 ( 19671 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5829 -12.5829 -10.0340 -10.0340 -10.0224 -10.0224 -10.0191 -10.0191 -8.5461 -8.5461 -6.4665 -6.4665 -6.4638 -6.4638 -6.2386 -6.2386 -2.8841 -2.8841 -0.3772 -0.3772 0.5264 0.5264 0.8450 0.8450 0.8657 0.8657 2.1419 2.1419 2.3883 2.3883 2.8941 2.8941 3.6505 3.6505 3.6782 3.6782 4.0258 4.0258 4.2411 4.2411 4.2993 4.2993 8.1861 8.1861 8.7831 8.7831 9.6462 9.6462 10.0667 10.0667 10.1295 10.1295 k = 0.0488 0.0580 0.0000 ( 19671 PWs) bands (ev): -39.6476 -39.6476 -39.6472 -39.6472 -12.5837 -12.5837 -12.5829 -12.5829 -10.0339 -10.0339 -10.0224 -10.0224 -10.0189 -10.0189 -8.5412 -8.5412 -6.4698 -6.4698 -6.4663 -6.4663 -6.2449 -6.2449 -2.8826 -2.8826 -0.3957 -0.3957 0.5496 0.5496 0.8503 0.8503 0.8709 0.8709 2.1594 2.1594 2.4042 2.4042 2.8667 2.8667 3.6180 3.6180 3.6811 3.6811 4.0717 4.0717 4.2394 4.2394 4.2926 4.2926 8.1749 8.1749 8.7880 8.7880 9.6335 9.6335 10.0639 10.0639 10.1422 10.1422 k = 0.0610 0.0725 0.0000 ( 19699 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5828 -12.5828 -10.0337 -10.0337 -10.0223 -10.0223 -10.0187 -10.0187 -8.5349 -8.5349 -6.4739 -6.4739 -6.4695 -6.4695 -6.2529 -6.2529 -2.8808 -2.8808 -0.4187 -0.4187 0.5786 0.5786 0.8571 0.8571 0.8776 0.8776 2.1817 2.1817 2.4246 2.4246 2.8345 2.8345 3.5596 3.5596 3.7170 3.7170 4.1094 4.1094 4.2398 4.2398 4.2839 4.2839 8.1633 8.1633 8.7900 8.7900 9.6165 9.6165 10.0631 10.0631 10.1585 10.1585 k = 0.0732 0.0870 0.0000 ( 19707 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5827 -12.5827 -10.0335 -10.0335 -10.0223 -10.0223 -10.0185 -10.0185 -8.5273 -8.5273 -6.4788 -6.4788 -6.4736 -6.4736 -6.2627 -6.2627 -2.8787 -2.8787 -0.4458 -0.4458 0.6130 0.6130 0.8654 0.8654 0.8861 0.8861 2.2087 2.2087 2.4492 2.4492 2.7987 2.7987 3.5031 3.5031 3.7572 3.7572 4.1351 4.1351 4.2456 4.2456 4.2734 4.2734 8.1527 8.1527 8.7873 8.7873 9.5946 9.5946 10.0662 10.0662 10.1784 10.1784 k = 0.0854 0.1015 0.0000 ( 19699 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5826 -12.5826 -10.0333 -10.0333 -10.0222 -10.0222 -10.0183 -10.0183 -8.5183 -8.5183 -6.4844 -6.4844 -6.4784 -6.4784 -6.2740 -6.2740 -2.8763 -2.8763 -0.4766 -0.4766 0.6522 0.6522 0.8752 0.8752 0.8964 0.8964 2.2401 2.2401 2.4779 2.4779 2.7605 2.7605 3.4492 3.4492 3.8006 3.8006 4.1462 4.1462 4.2583 4.2583 4.2613 4.2613 8.1437 8.1437 8.7785 8.7785 9.5674 9.5674 10.0746 10.0746 10.2020 10.2020 k = 0.0976 0.1160 0.0000 ( 19699 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5825 -12.5825 -10.0330 -10.0330 -10.0221 -10.0221 -10.0180 -10.0180 -8.5079 -8.5079 -6.4906 -6.4906 -6.4839 -6.4839 -6.2869 -6.2869 -2.8736 -2.8736 -0.5108 -0.5108 0.6959 0.6959 0.8867 0.8867 0.9086 0.9087 2.2757 2.2757 2.5105 2.5105 2.7207 2.7207 3.3983 3.3983 3.8464 3.8464 4.1451 4.1451 4.2466 4.2466 4.2764 4.2764 8.1369 8.1369 8.7629 8.7629 9.5345 9.5345 10.0894 10.0894 10.2290 10.2291 k = 0.1098 0.1305 0.0000 ( 19711 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5824 -12.5824 -10.0327 -10.0327 -10.0221 -10.0221 -10.0178 -10.0178 -8.4963 -8.4963 -6.4976 -6.4976 -6.4900 -6.4900 -6.3012 -6.3012 -2.8708 -2.8708 -0.5480 -0.5480 0.7436 0.7436 0.8997 0.8997 0.9229 0.9229 2.3154 2.3154 2.5467 2.5467 2.6800 2.6800 3.3508 3.3508 3.8938 3.8938 4.1365 4.1365 4.2304 4.2304 4.2937 4.2937 8.1321 8.1321 8.7407 8.7407 9.4963 9.4963 10.1109 10.1109 10.1739 10.1739 k = 0.1220 0.1450 0.0000 ( 19695 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5837 -12.5837 -12.5823 -12.5823 -10.0323 -10.0323 -10.0219 -10.0219 -10.0175 -10.0175 -8.4833 -8.4833 -6.5051 -6.5051 -6.4968 -6.4968 -6.3169 -6.3169 -2.8680 -2.8680 -0.5877 -0.5877 0.7948 0.7948 0.9146 0.9146 0.9392 0.9392 2.3588 2.3588 2.5855 2.5855 2.6398 2.6398 3.3070 3.3070 3.9424 3.9424 4.1231 4.1231 4.2125 4.2125 4.3078 4.3078 8.1285 8.1286 8.7125 8.7125 9.4533 9.4533 10.0960 10.0960 10.1389 10.1389 k = 0.1341 0.1594 0.0000 ( 19695 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5836 -12.5836 -12.5822 -12.5822 -10.0320 -10.0320 -10.0218 -10.0218 -10.0172 -10.0172 -8.4691 -8.4691 -6.5132 -6.5132 -6.5042 -6.5042 -6.3338 -6.3338 -2.8651 -2.8651 -0.6297 -0.6297 0.8487 0.8487 0.9314 0.9314 0.9578 0.9578 2.4055 2.4055 2.5934 2.5934 2.6338 2.6338 3.2672 3.2672 3.9917 3.9917 4.1066 4.1066 4.1929 4.1929 4.3172 4.3172 8.1250 8.1250 8.6797 8.6797 9.4067 9.4067 10.0147 10.0147 10.1723 10.1723 k = 0.1463 0.1739 0.0000 ( 19679 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5836 -12.5836 -12.5821 -12.5821 -10.0316 -10.0316 -10.0217 -10.0217 -10.0169 -10.0169 -8.4536 -8.4536 -6.5218 -6.5218 -6.5122 -6.5122 -6.3520 -6.3520 -2.8623 -2.8623 -0.6737 -0.6737 0.9040 0.9040 0.9509 0.9509 0.9793 0.9793 2.4549 2.4549 2.5544 2.5544 2.6781 2.6781 3.2315 3.2315 4.0413 4.0413 4.0877 4.0877 4.1717 4.1717 4.3217 4.3217 8.1197 8.1197 8.6438 8.6438 9.3580 9.3580 9.9309 9.9309 10.2101 10.2101 k = 0.1585 0.1884 0.0000 ( 19660 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5835 -12.5835 -12.5820 -12.5819 -10.0312 -10.0312 -10.0216 -10.0216 -10.0166 -10.0166 -8.4369 -8.4369 -6.5309 -6.5309 -6.5206 -6.5206 -6.3712 -6.3712 -2.8597 -2.8597 -0.7192 -0.7192 0.9538 0.9538 0.9772 0.9772 1.0058 1.0059 2.4988 2.4988 2.5227 2.5227 2.7267 2.7267 3.2000 3.2000 4.0667 4.0667 4.0909 4.0909 4.1491 4.1491 4.3214 4.3214 8.1101 8.1101 8.6067 8.6067 9.3086 9.3086 9.8453 9.8453 10.2512 10.2512 k = 0.1707 0.2029 0.0000 ( 19668 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5835 -12.5835 -12.5818 -12.5818 -10.0307 -10.0307 -10.0214 -10.0214 -10.0163 -10.0163 -8.4190 -8.4190 -6.5403 -6.5403 -6.5295 -6.5295 -6.3914 -6.3914 -2.8574 -2.8574 -0.7660 -0.7660 0.9850 0.9850 1.0129 1.0129 1.0478 1.0478 2.4702 2.4702 2.5660 2.5660 2.7778 2.7778 3.1729 3.1729 4.0440 4.0440 4.1246 4.1246 4.1409 4.1409 4.3167 4.3167 8.0940 8.0940 8.5699 8.5699 9.2606 9.2606 9.7584 9.7584 10.2945 10.2945 k = 0.1829 0.2174 0.0000 ( 19668 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5834 -12.5834 -12.5817 -12.5817 -10.0303 -10.0303 -10.0212 -10.0212 -10.0160 -10.0160 -8.4001 -8.4001 -6.5501 -6.5501 -6.5388 -6.5388 -6.4125 -6.4124 -2.8554 -2.8554 -0.8136 -0.8136 1.0105 1.0105 1.0434 1.0434 1.1064 1.1064 2.4312 2.4312 2.6222 2.6222 2.8306 2.8306 3.1502 3.1502 4.0200 4.0200 4.0999 4.0999 4.1895 4.1895 4.3082 4.3082 8.0691 8.0691 8.5342 8.5342 9.2157 9.2157 9.6709 9.6709 10.3391 10.3391 k = 0.1951 0.2319 0.0000 ( 19652 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5833 -12.5833 -12.5816 -12.5816 -10.0298 -10.0298 -10.0211 -10.0211 -10.0158 -10.0158 -8.3800 -8.3800 -6.5602 -6.5602 -6.5483 -6.5483 -6.4343 -6.4343 -2.8540 -2.8540 -0.8616 -0.8616 1.0368 1.0368 1.0729 1.0729 1.1707 1.1707 2.3924 2.3924 2.6800 2.6801 2.8847 2.8847 3.1320 3.1320 3.9949 3.9949 4.0742 4.0742 4.2378 4.2378 4.2967 4.2967 8.0345 8.0345 8.4992 8.4992 9.1759 9.1759 9.5832 9.5832 10.3838 10.3838 k = 0.2073 0.2464 0.0000 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5832 -12.5832 -12.5815 -12.5815 -10.0294 -10.0294 -10.0209 -10.0209 -10.0155 -10.0155 -8.3589 -8.3589 -6.5705 -6.5705 -6.5582 -6.5582 -6.4568 -6.4568 -2.8532 -2.8532 -0.9098 -0.9098 1.0646 1.0646 1.1037 1.1037 1.2371 1.2371 2.3546 2.3546 2.7382 2.7382 2.9394 2.9394 3.1183 3.1183 3.9690 3.9690 4.0483 4.0483 4.2832 4.2832 4.2853 4.2853 7.9904 7.9904 8.4632 8.4632 9.1426 9.1426 9.4958 9.4958 10.4272 10.4272 k = 0.2195 0.2609 0.0000 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5831 -12.5831 -12.5814 -12.5814 -10.0289 -10.0289 -10.0207 -10.0207 -10.0153 -10.0153 -8.3369 -8.3369 -6.5810 -6.5809 -6.5682 -6.5682 -6.4799 -6.4799 -2.8532 -2.8532 -0.9577 -0.9577 1.0943 1.0943 1.1361 1.1361 1.3046 1.3046 2.3178 2.3178 2.7953 2.7953 2.9936 2.9936 3.1096 3.1096 3.9430 3.9430 4.0227 4.0227 4.2686 4.2686 4.3318 4.3318 7.9381 7.9381 8.4244 8.4244 9.1164 9.1164 9.4090 9.4090 10.4637 10.4637 k = 0.2317 0.2754 0.0000 ( 19636 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5831 -12.5813 -12.5813 -10.0285 -10.0285 -10.0204 -10.0204 -10.0151 -10.0151 -8.3140 -8.3140 -6.5915 -6.5915 -6.5784 -6.5784 -6.5034 -6.5034 -2.8540 -2.8540 -1.0049 -1.0049 1.1258 1.1258 1.1704 1.1704 1.3724 1.3724 2.2821 2.2821 2.8493 2.8493 3.0461 3.0461 3.1066 3.1067 3.9174 3.9174 3.9985 3.9985 4.2539 4.2539 4.3772 4.3772 7.8793 7.8793 8.3811 8.3811 9.0971 9.0971 9.3233 9.3233 10.4712 10.4712 k = 0.2439 0.2899 0.0000 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5830 -12.5830 -12.5812 -12.5812 -10.0280 -10.0280 -10.0202 -10.0202 -10.0150 -10.0150 -8.2903 -8.2903 -6.6021 -6.6021 -6.5887 -6.5887 -6.5273 -6.5273 -2.8557 -2.8557 -1.0511 -1.0511 1.1592 1.1592 1.2064 1.2064 1.4401 1.4401 2.2476 2.2476 2.8973 2.8974 3.0948 3.0948 3.1117 3.1117 3.8931 3.8931 3.9768 3.9768 4.2402 4.2402 4.4214 4.4214 7.8158 7.8158 8.3327 8.3327 9.0829 9.0829 9.2391 9.2391 10.4414 10.4414 k = 0.2561 0.3044 0.0000 ( 19632 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5829 -12.5829 -12.5811 -12.5811 -10.0276 -10.0276 -10.0200 -10.0200 -10.0148 -10.0148 -8.2659 -8.2659 -6.6127 -6.6127 -6.5991 -6.5991 -6.5515 -6.5515 -2.8585 -2.8585 -1.0959 -1.0959 1.1944 1.1944 1.2443 1.2443 1.5071 1.5071 2.2144 2.2144 2.9357 2.9358 3.1212 3.1212 3.1430 3.1430 3.8712 3.8712 3.9591 3.9591 4.2286 4.2286 4.4641 4.4641 7.7491 7.7491 8.2795 8.2795 9.0709 9.0709 9.1577 9.1577 10.4008 10.4008 k = 0.2683 0.3189 0.0000 ( 19632 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5828 -12.5828 -12.5810 -12.5810 -10.0272 -10.0272 -10.0197 -10.0197 -10.0147 -10.0147 -8.2409 -8.2409 -6.6232 -6.6232 -6.6096 -6.6096 -6.5757 -6.5757 -2.8624 -2.8624 -1.1389 -1.1389 1.2315 1.2315 1.2839 1.2839 1.5730 1.5730 2.1826 2.1826 2.9619 2.9619 3.1432 3.1432 3.1809 3.1809 3.8533 3.8533 3.9475 3.9475 4.2200 4.2200 4.5054 4.5054 7.6807 7.6807 8.2222 8.2222 9.0491 9.0491 9.0889 9.0889 10.3578 10.3578 k = 0.2805 0.3334 0.0000 ( 19656 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5809 -12.5809 -10.0268 -10.0268 -10.0195 -10.0195 -10.0146 -10.0146 -8.2154 -8.2154 -6.6335 -6.6335 -6.6203 -6.6203 -6.5996 -6.5995 -2.8674 -2.8674 -1.1800 -1.1800 1.2702 1.2702 1.3252 1.3252 1.6374 1.6374 2.1522 2.1522 2.9766 2.9766 3.1699 3.1700 3.2104 3.2104 3.8413 3.8413 3.9439 3.9439 4.2152 4.2152 4.5451 4.5451 7.6115 7.6115 8.1621 8.1621 8.9850 8.9850 9.0632 9.0632 10.3143 10.3143 k = 0.2927 0.3479 0.0000 ( 19672 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5826 -12.5826 -12.5808 -12.5808 -10.0265 -10.0265 -10.0192 -10.0192 -10.0145 -10.0145 -8.1894 -8.1894 -6.6436 -6.6436 -6.6329 -6.6329 -6.6215 -6.6214 -2.8736 -2.8736 -1.2188 -1.2188 1.3107 1.3107 1.3681 1.3681 1.6998 1.6998 2.1233 2.1233 2.9829 2.9830 3.1953 3.1954 3.2291 3.2291 3.8376 3.8376 3.9504 3.9504 4.2152 4.2152 4.5831 4.5831 7.5423 7.5424 8.1001 8.1001 8.9090 8.9090 9.0486 9.0486 10.2707 10.2707 k = 0.3049 0.3624 0.0000 ( 19652 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5824 -12.5824 -12.5808 -12.5808 -10.0262 -10.0262 -10.0189 -10.0189 -10.0144 -10.0143 -8.1633 -8.1633 -6.6535 -6.6535 -6.6524 -6.6523 -6.6361 -6.6361 -2.8809 -2.8809 -1.2551 -1.2551 1.3526 1.3526 1.4125 1.4125 1.7598 1.7598 2.0959 2.0959 2.9838 2.9838 3.2135 3.2135 3.2360 3.2360 3.8446 3.8446 3.9676 3.9676 4.2203 4.2203 4.6193 4.6193 7.4741 7.4741 8.0375 8.0375 8.8335 8.8335 9.0314 9.0314 10.2274 10.2274 k = 0.3171 0.3769 0.0000 ( 19660 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5823 -12.5823 -12.5807 -12.5807 -10.0259 -10.0259 -10.0187 -10.0187 -10.0142 -10.0142 -8.1370 -8.1370 -6.6755 -6.6755 -6.6631 -6.6631 -6.6466 -6.6466 -2.8893 -2.8893 -1.2888 -1.2888 1.3959 1.3959 1.4582 1.4582 1.8172 1.8172 2.0701 2.0701 2.9807 2.9807 3.2204 3.2204 3.2314 3.2315 3.8636 3.8636 3.9955 3.9955 4.2308 4.2308 4.6536 4.6536 7.4072 7.4072 7.9751 7.9751 8.7597 8.7597 9.0094 9.0094 10.1844 10.1844 k = 0.3293 0.3914 0.0000 ( 19624 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5822 -12.5822 -12.5806 -12.5806 -10.0256 -10.0256 -10.0185 -10.0185 -10.0141 -10.0141 -8.1108 -8.1108 -6.6991 -6.6991 -6.6723 -6.6723 -6.6560 -6.6560 -2.8987 -2.8987 -1.3197 -1.3197 1.4406 1.4406 1.5053 1.5053 1.8715 1.8715 2.0460 2.0460 2.9747 2.9747 3.2124 3.2124 3.2192 3.2192 3.8948 3.8948 4.0324 4.0324 4.2468 4.2468 4.6861 4.6861 7.3423 7.3423 7.9139 7.9139 8.6881 8.6881 8.9819 8.9819 10.1420 10.1420 k = 0.3415 0.4059 0.0000 ( 19624 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5821 -12.5821 -12.5806 -12.5806 -10.0254 -10.0254 -10.0182 -10.0182 -10.0140 -10.0140 -8.0848 -8.0848 -6.7224 -6.7224 -6.6811 -6.6811 -6.6649 -6.6649 -2.9089 -2.9089 -1.3478 -1.3478 1.4862 1.4862 1.5534 1.5534 1.9222 1.9222 2.0239 2.0239 2.9663 2.9663 3.1893 3.1893 3.2018 3.2018 3.9364 3.9364 4.0763 4.0763 4.2679 4.2679 4.7165 4.7165 7.2796 7.2796 7.8548 7.8548 8.6191 8.6191 8.9484 8.9484 10.1003 10.1003 k = 0.3537 0.4204 0.0000 ( 19632 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5820 -12.5820 -12.5806 -12.5806 -10.0252 -10.0252 -10.0181 -10.0181 -10.0139 -10.0139 -8.0592 -8.0592 -6.7452 -6.7452 -6.6895 -6.6895 -6.6732 -6.6732 -2.9197 -2.9197 -1.3731 -1.3731 1.5328 1.5328 1.6025 1.6025 1.9668 1.9668 2.0063 2.0063 2.9560 2.9560 3.1581 3.1581 3.1763 3.1763 3.9861 3.9861 4.1249 4.1249 4.2935 4.2935 4.7449 4.7449 7.2196 7.2196 7.7984 7.7984 8.5528 8.5528 8.9092 8.9092 10.0596 10.0596 k = 0.3659 0.4349 0.0000 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5819 -12.5819 -12.5805 -12.5805 -10.0250 -10.0250 -10.0179 -10.0179 -10.0137 -10.0137 -8.0342 -8.0342 -6.7673 -6.7673 -6.6973 -6.6973 -6.6810 -6.6810 -2.9310 -2.9310 -1.3957 -1.3957 1.5799 1.5799 1.6522 1.6522 1.9765 1.9765 2.0216 2.0216 2.9441 2.9441 3.1215 3.1215 3.1438 3.1438 4.0413 4.0413 4.1762 4.1762 4.3228 4.3228 4.7713 4.7713 7.1624 7.1624 7.7456 7.7456 8.4895 8.4895 8.8647 8.8647 10.0201 10.0201 k = 0.3780 0.4494 0.0000 ( 19608 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5818 -12.5818 -12.5805 -12.5805 -10.0248 -10.0248 -10.0178 -10.0178 -10.0136 -10.0135 -8.0101 -8.0101 -6.7885 -6.7885 -6.7046 -6.7046 -6.6883 -6.6883 -2.9425 -2.9425 -1.4156 -1.4156 1.6273 1.6273 1.7023 1.7023 1.9613 1.9613 2.0601 2.0601 2.9313 2.9313 3.0810 3.0810 3.1062 3.1062 4.0997 4.0997 4.2284 4.2284 4.3547 4.3547 4.7954 4.7954 7.1084 7.1084 7.6972 7.6972 8.4297 8.4297 8.8156 8.8156 9.9821 9.9821 k = 0.3902 0.4639 0.0000 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5817 -12.5817 -12.5805 -12.5805 -10.0247 -10.0247 -10.0177 -10.0177 -10.0134 -10.0134 -7.9871 -7.9871 -6.8087 -6.8087 -6.7113 -6.7113 -6.6950 -6.6950 -2.9540 -2.9540 -1.4330 -1.4330 1.6745 1.6745 1.7524 1.7524 1.9457 1.9457 2.0970 2.0970 2.9179 2.9179 3.0381 3.0381 3.0652 3.0652 4.1592 4.1592 4.2799 4.2799 4.3882 4.3882 4.8174 4.8174 7.0576 7.0576 7.6537 7.6537 8.3735 8.3735 8.7631 8.7631 9.9461 9.9461 k = 0.4024 0.4783 0.0000 ( 19600 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5816 -12.5805 -12.5805 -10.0246 -10.0246 -10.0177 -10.0177 -10.0132 -10.0132 -7.9653 -7.9653 -6.8277 -6.8277 -6.7174 -6.7174 -6.7011 -6.7011 -2.9652 -2.9652 -1.4479 -1.4479 1.7211 1.7211 1.8022 1.8022 1.9315 1.9315 2.1304 2.1304 2.9044 2.9044 2.9938 2.9938 3.0223 3.0223 4.2183 4.2183 4.3294 4.3294 4.4219 4.4219 4.8372 4.8372 7.0103 7.0103 7.6158 7.6158 8.3215 8.3215 8.7084 8.7085 9.9124 9.9124 k = 0.4146 0.4928 0.0000 ( 19604 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5815 -12.5815 -12.5805 -12.5805 -10.0245 -10.0245 -10.0176 -10.0176 -10.0130 -10.0130 -7.9453 -7.9453 -6.8451 -6.8451 -6.7229 -6.7229 -6.7066 -6.7066 -2.9758 -2.9758 -1.4606 -1.4606 1.7664 1.7664 1.8509 1.8509 1.9189 1.9189 2.1602 2.1602 2.8911 2.8911 2.9493 2.9493 2.9789 2.9789 4.2755 4.2755 4.3756 4.3756 4.4548 4.4548 4.8548 4.8548 6.9668 6.9668 7.5839 7.5839 8.2740 8.2740 8.6532 8.6532 9.8815 9.8815 k = 0.4268 0.5073 0.0000 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5814 -12.5814 -12.5805 -12.5805 -10.0244 -10.0244 -10.0176 -10.0176 -10.0128 -10.0128 -7.9271 -7.9271 -6.8609 -6.8609 -6.7277 -6.7277 -6.7113 -6.7113 -2.9856 -2.9856 -1.4712 -1.4712 1.8095 1.8095 1.8977 1.8977 1.9083 1.9083 2.1862 2.1862 2.8780 2.8780 2.9062 2.9062 2.9363 2.9363 4.3292 4.3292 4.4175 4.4175 4.4857 4.4857 4.8700 4.8700 6.9275 6.9275 7.5580 7.5580 8.2315 8.2315 8.5991 8.5991 9.8538 9.8538 k = 0.4390 0.5218 0.0000 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5813 -12.5813 -12.5806 -12.5806 -10.0244 -10.0244 -10.0176 -10.0176 -10.0127 -10.0127 -7.9110 -7.9110 -6.8748 -6.8748 -6.7318 -6.7318 -6.7154 -6.7154 -2.9943 -2.9943 -1.4798 -1.4798 1.8487 1.8487 1.8999 1.8999 1.9422 1.9422 2.2084 2.2084 2.8584 2.8584 2.8725 2.8725 2.8963 2.8963 4.3783 4.3783 4.4540 4.4540 4.5135 4.5135 4.8830 4.8830 6.8926 6.8926 7.5381 7.5381 8.1945 8.1945 8.5481 8.5481 9.8297 9.8297 k = 0.4512 0.5363 0.0000 ( 19600 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5812 -12.5812 -12.5806 -12.5806 -10.0243 -10.0243 -10.0176 -10.0176 -10.0125 -10.0125 -7.8975 -7.8975 -6.8866 -6.8866 -6.7351 -6.7351 -6.7188 -6.7188 -3.0017 -3.0017 -1.4867 -1.4867 1.8775 1.8775 1.8997 1.8998 1.9825 1.9825 2.2267 2.2267 2.8230 2.8230 2.8545 2.8545 2.8649 2.8649 4.4214 4.4214 4.4842 4.4842 4.5375 4.5375 4.8936 4.8936 6.8629 6.8629 7.5237 7.5237 8.1634 8.1634 8.5022 8.5022 9.8094 9.8094 k = 0.4634 0.5508 0.0000 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5811 -12.5811 -12.5806 -12.5806 -10.0243 -10.0243 -10.0176 -10.0176 -10.0124 -10.0124 -7.8866 -7.8866 -6.8960 -6.8960 -6.7378 -6.7378 -6.7215 -6.7215 -3.0077 -3.0077 -1.4919 -1.4919 1.8804 1.8804 1.9216 1.9216 2.0171 2.0171 2.2410 2.2410 2.7902 2.7902 2.8259 2.8259 2.8541 2.8541 4.4575 4.4575 4.5075 4.5075 4.5569 4.5569 4.9020 4.9020 6.8389 6.8389 7.5140 7.5140 8.1387 8.1387 8.4637 8.4637 9.7933 9.7933 k = 0.4756 0.5653 0.0000 ( 19624 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5807 -12.5807 -10.0243 -10.0243 -10.0176 -10.0176 -10.0123 -10.0123 -7.8787 -7.8787 -6.9029 -6.9029 -6.7397 -6.7397 -6.7234 -6.7234 -3.0121 -3.0121 -1.4955 -1.4955 1.8774 1.8774 1.9438 1.9438 2.0441 2.0441 2.2512 2.2512 2.7644 2.7644 2.8019 2.8019 2.8480 2.8480 4.4854 4.4854 4.5233 4.5233 4.5711 4.5711 4.9079 4.9079 6.8212 6.8212 7.5080 7.5080 8.1208 8.1208 8.4344 8.4344 9.7817 9.7817 k = 0.4878 0.5798 0.0000 ( 19640 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5807 -12.5807 -10.0243 -10.0243 -10.0176 -10.0176 -10.0123 -10.0123 -7.8739 -7.8739 -6.9071 -6.9071 -6.7408 -6.7408 -6.7245 -6.7245 -3.0148 -3.0148 -1.4977 -1.4977 1.8752 1.8752 1.9583 1.9583 2.0614 2.0614 2.2574 2.2574 2.7477 2.7477 2.7866 2.7866 2.8444 2.8444 4.5037 4.5037 4.5318 4.5318 4.5797 4.5797 4.9115 4.9115 6.8104 6.8104 7.5049 7.5049 8.1099 8.1099 8.4160 8.4160 9.7746 9.7746 k = 0.5000 0.5943 0.0000 ( 19640 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5807 -12.5807 -10.0243 -10.0243 -10.0176 -10.0176 -10.0123 -10.0123 -7.8722 -7.8722 -6.9085 -6.9085 -6.7412 -6.7412 -6.7249 -6.7249 -3.0157 -3.0157 -1.4984 -1.4984 1.8744 1.8744 1.9633 1.9633 2.0674 2.0674 2.2595 2.2595 2.7419 2.7419 2.7813 2.7813 2.8433 2.8433 4.5103 4.5103 4.5343 4.5343 4.5826 4.5826 4.9127 4.9127 6.8068 6.8068 7.5040 7.5040 8.1062 8.1062 8.4098 8.4098 9.7722 9.7722 k = 0.5000 0.5943 0.0000 ( 19640 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5807 -12.5807 -10.0243 -10.0243 -10.0176 -10.0176 -10.0123 -10.0123 -7.8722 -7.8722 -6.9085 -6.9085 -6.7412 -6.7412 -6.7249 -6.7249 -3.0157 -3.0157 -1.4984 -1.4984 1.8744 1.8744 1.9633 1.9633 2.0674 2.0674 2.2595 2.2595 2.7419 2.7419 2.7813 2.7813 2.8433 2.8433 4.5103 4.5103 4.5343 4.5343 4.5826 4.5826 4.9127 4.9127 6.8068 6.8068 7.5040 7.5040 8.1062 8.1062 8.4098 8.4098 9.7722 9.7722 k = 0.4908 0.6020 0.0120 ( 19646 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5809 -12.5808 -12.5806 -10.0247 -10.0239 -10.0178 -10.0175 -10.0123 -10.0122 -7.8732 -7.8724 -6.9083 -6.9080 -6.7411 -6.7409 -6.7247 -6.7247 -3.0140 -3.0139 -1.5001 -1.4998 1.8746 1.8755 1.9534 1.9675 2.0640 2.0647 2.2533 2.2587 2.7439 2.7453 2.7836 2.7840 2.8471 2.8490 4.4967 4.5007 4.5245 4.5341 4.5921 4.6042 4.9102 4.9110 6.7639 6.8485 7.5057 7.5060 8.1007 8.1033 8.3788 8.4558 9.7615 9.7835 k = 0.4817 0.6097 0.0240 ( 19634 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5808 -12.5805 -10.0251 -10.0236 -10.0179 -10.0173 -10.0124 -10.0122 -7.8754 -7.8738 -6.9074 -6.9069 -6.7406 -6.7401 -6.7241 -6.7240 -3.0089 -3.0088 -1.5047 -1.5042 1.8759 1.8780 1.9369 1.9660 2.0560 2.0567 2.2406 2.2508 2.7509 2.7534 2.7910 2.7916 2.8606 2.8637 4.4658 4.4733 4.5217 4.5311 4.6199 4.6342 4.9035 4.9052 6.7205 6.8886 7.5113 7.5114 8.0827 8.0966 8.3668 8.5118 9.7513 9.7951 k = 0.4725 0.6175 0.0360 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5811 -12.5811 -12.5808 -12.5805 -10.0255 -10.0233 -10.0181 -10.0172 -10.0124 -10.0122 -7.8788 -7.8765 -6.9059 -6.9051 -6.7398 -6.7391 -6.7230 -6.7228 -3.0004 -3.0003 -1.5123 -1.5115 1.8772 1.8818 1.9141 1.9575 2.0434 2.0476 2.2224 2.2363 2.7617 2.7650 2.8038 2.8044 2.8829 2.8861 4.4303 4.4385 4.5203 4.5308 4.6503 4.6649 4.8927 4.8955 6.6772 6.9266 7.5196 7.5214 8.0530 8.0897 8.3734 8.5744 9.7418 9.8071 k = 0.4633 0.6252 0.0480 ( 19614 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5812 -12.5812 -12.5808 -12.5804 -10.0259 -10.0231 -10.0182 -10.0171 -10.0125 -10.0122 -7.8833 -7.8803 -6.9037 -6.9026 -6.7387 -6.7379 -6.7213 -6.7210 -2.9886 -2.9885 -1.5228 -1.5217 1.8679 1.8869 1.8955 1.9399 2.0304 2.0383 2.1995 2.2163 2.7755 2.7793 2.8219 2.8220 2.9128 2.9149 4.3932 4.4011 4.5189 4.5312 4.6802 4.6946 4.8779 4.8820 6.6346 6.9620 7.5304 7.5358 8.0159 8.0845 8.3941 8.6414 9.7330 9.8195 k = 0.4541 0.6329 0.0599 ( 19610 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5813 -12.5812 -12.5807 -12.5803 -10.0263 -10.0229 -10.0183 -10.0171 -10.0126 -10.0122 -7.8890 -7.8853 -6.9009 -6.8995 -6.7375 -6.7366 -6.7188 -6.7183 -2.9736 -2.9734 -1.5360 -1.5347 1.8336 1.8912 1.8968 1.9143 2.0194 2.0290 2.1729 2.1917 2.7921 2.7962 2.8436 2.8443 2.9487 2.9488 4.3551 4.3623 4.5171 4.5314 4.7087 4.7225 4.8594 4.8652 6.5934 6.9946 7.5435 7.5545 7.9762 8.0822 8.4246 8.7115 9.7252 9.8321 k = 0.4450 0.6406 0.0719 ( 19612 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5814 -12.5813 -12.5807 -12.5802 -10.0267 -10.0228 -10.0184 -10.0170 -10.0127 -10.0122 -7.8958 -7.8914 -6.8974 -6.8958 -6.7362 -6.7353 -6.7155 -6.7148 -2.9554 -2.9552 -1.5518 -1.5502 1.7896 1.8708 1.9041 1.9064 2.0099 2.0193 2.1434 2.1635 2.8117 2.8160 2.8679 2.8699 2.9860 2.9893 4.3164 4.3227 4.5147 4.5308 4.7356 4.7479 4.8374 4.8457 6.5542 7.0242 7.5583 7.5772 7.9374 8.0836 8.4615 8.7836 9.7184 9.8447 k = 0.4358 0.6483 0.0839 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5815 -12.5814 -12.5807 -12.5801 -10.0271 -10.0228 -10.0184 -10.0170 -10.0128 -10.0122 -7.9038 -7.8988 -6.8933 -6.8914 -6.7349 -6.7342 -6.7113 -6.7102 -2.9341 -2.9339 -1.5700 -1.5682 1.7409 1.8296 1.9138 1.9149 2.0007 2.0087 2.1117 2.1327 2.8346 2.8392 2.8940 2.8978 3.0256 3.0329 4.2772 4.2824 4.5112 4.5290 4.7605 4.7686 4.8123 4.8257 6.5178 7.0511 7.5747 7.6029 7.9022 8.0890 8.5028 8.8571 9.7130 9.8568 k = 0.4266 0.6561 0.0959 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5815 -12.5807 -12.5801 -10.0275 -10.0229 -10.0184 -10.0170 -10.0129 -10.0123 -7.9129 -7.9073 -6.8886 -6.8864 -6.7335 -6.7330 -6.7061 -6.7048 -2.9098 -2.9096 -1.5903 -1.5885 1.6892 1.7834 1.9254 1.9255 1.9909 1.9968 2.0783 2.0998 2.8611 2.8661 2.9212 2.9270 3.0666 3.0784 4.2377 4.2417 4.5061 4.5254 4.7747 4.7830 4.7846 4.8154 6.4847 7.0753 7.5922 7.6301 7.8731 8.0987 8.5471 8.9314 9.7090 9.8668 k = 0.4266 0.6561 0.0959 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5815 -12.5807 -12.5801 -10.0275 -10.0229 -10.0184 -10.0170 -10.0129 -10.0123 -7.9129 -7.9073 -6.8886 -6.8864 -6.7335 -6.7330 -6.7061 -6.7048 -2.9098 -2.9096 -1.5903 -1.5885 1.6892 1.7834 1.9254 1.9255 1.9909 1.9968 2.0783 2.0998 2.8611 2.8661 2.9212 2.9270 3.0666 3.0784 4.2377 4.2417 4.5061 4.5254 4.7747 4.7830 4.7846 4.8154 6.4847 7.0753 7.5922 7.6301 7.8731 8.0987 8.5471 8.9314 9.7090 9.8668 k = 0.4108 0.6506 0.1045 ( 19619 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5817 -12.5815 -12.5807 -12.5801 -10.0278 -10.0230 -10.0183 -10.0171 -10.0131 -10.0123 -7.9207 -7.9147 -6.8848 -6.8824 -6.7320 -6.7311 -6.7018 -6.7001 -2.8903 -2.8900 -1.6057 -1.6037 1.6491 1.7462 1.9337 1.9350 1.9709 1.9856 2.0605 2.0821 2.8748 2.8872 2.9405 2.9560 3.0982 3.1139 4.2039 4.2117 4.4998 4.5201 4.7569 4.7632 4.8002 4.8223 6.4656 7.0923 7.6055 7.6497 7.8561 8.1116 8.5836 8.9885 9.7084 9.8723 k = 0.3950 0.6451 0.1130 ( 19615 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5819 -12.5815 -12.5807 -12.5800 -10.0281 -10.0231 -10.0182 -10.0171 -10.0132 -10.0123 -7.9302 -7.9240 -6.8809 -6.8786 -6.7290 -6.7273 -6.6967 -6.6943 -2.8684 -2.8681 -1.6213 -1.6193 1.6045 1.7037 1.9286 1.9453 1.9504 1.9622 2.0559 2.0769 2.8825 2.9004 2.9678 2.9911 3.1339 3.1540 4.1623 4.1772 4.4902 4.5114 4.7311 4.7379 4.8162 4.8333 6.4522 7.1107 7.6194 7.6697 7.8405 8.1322 8.6285 9.0531 9.7112 9.8762 k = 0.3792 0.6396 0.1216 ( 19631 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5820 -12.5815 -12.5807 -12.5800 -10.0284 -10.0233 -10.0181 -10.0172 -10.0134 -10.0124 -7.9414 -7.9348 -6.8778 -6.8755 -6.7238 -6.7213 -6.6908 -6.6877 -2.8443 -2.8440 -1.6371 -1.6349 1.5563 1.6567 1.8906 1.9226 1.9583 1.9646 2.0588 2.0789 2.8869 2.9065 3.0005 3.0273 3.1731 3.1978 4.1148 4.1378 4.4781 4.5001 4.7022 4.7093 4.8305 4.8443 6.4436 7.1307 7.6327 7.6910 7.8266 8.1584 8.6813 9.1242 9.7174 9.8779 k = 0.3634 0.6340 0.1301 ( 19638 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5822 -12.5816 -12.5807 -12.5800 -10.0287 -10.0235 -10.0180 -10.0173 -10.0136 -10.0125 -7.9538 -7.9470 -6.8759 -6.8737 -6.7165 -6.7127 -6.6841 -6.6800 -2.8180 -2.8176 -1.6530 -1.6507 1.5054 1.6059 1.8489 1.8843 1.9718 1.9791 2.0644 2.0841 2.8887 2.9085 3.0341 3.0623 3.2150 3.2441 4.0630 4.0945 4.4641 4.4868 4.6707 4.6786 4.8432 4.8546 6.4390 7.1523 7.6434 7.7149 7.8155 8.1878 8.7416 9.2004 9.7267 9.8784 k = 0.3476 0.6285 0.1387 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5823 -12.5816 -12.5807 -12.5800 -10.0290 -10.0236 -10.0179 -10.0174 -10.0138 -10.0125 -7.9672 -7.9603 -6.8754 -6.8735 -6.7069 -6.7017 -6.6766 -6.6713 -2.7898 -2.7893 -1.6690 -1.6666 1.4522 1.5521 1.8079 1.8455 1.9864 1.9955 2.0709 2.0908 2.8881 2.9076 3.0660 3.0948 3.2586 3.2918 4.0089 4.0492 4.4485 4.4719 4.6369 4.6465 4.8543 4.8641 6.4375 7.1754 7.6499 7.7423 7.8089 8.2185 8.8082 9.2798 9.7389 9.8786 k = 0.3318 0.6230 0.1472 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5825 -12.5816 -12.5808 -12.5800 -10.0293 -10.0238 -10.0178 -10.0175 -10.0140 -10.0126 -7.9814 -7.9744 -6.8765 -6.8748 -6.6956 -6.6886 -6.6683 -6.6613 -2.7597 -2.7591 -1.6850 -1.6824 1.3976 1.4960 1.7690 1.8077 2.0018 2.0131 2.0776 2.0982 2.8850 2.9041 3.0952 3.1240 3.3024 3.3394 3.9547 4.0039 4.4314 4.4558 4.6011 4.6132 4.8641 4.8727 6.4387 7.1994 7.6515 7.7728 7.8084 8.2494 8.8795 9.3601 9.7533 9.8792 k = 0.3160 0.6175 0.1558 ( 19634 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5826 -12.5816 -12.5808 -12.5800 -10.0296 -10.0239 -10.0179 -10.0175 -10.0142 -10.0127 -7.9962 -7.9892 -6.8790 -6.8776 -6.6834 -6.6743 -6.6586 -6.6497 -2.7279 -2.7273 -1.7009 -1.6982 1.3420 1.4383 1.7326 1.7717 2.0177 2.0315 2.0844 2.1060 2.8793 2.8977 3.1211 3.1494 3.3448 3.3852 3.9034 3.9611 4.4129 4.4386 4.5639 4.5790 4.8728 4.8805 6.4421 7.2239 7.6491 7.8027 7.8172 8.2798 8.9538 9.4387 9.7688 9.8797 k = 0.3002 0.6120 0.1643 ( 19637 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5816 -12.5809 -12.5800 -10.0299 -10.0240 -10.0182 -10.0173 -10.0144 -10.0127 -8.0113 -8.0043 -6.8827 -6.8815 -6.6709 -6.6605 -6.6465 -6.6363 -2.6947 -2.6939 -1.7166 -1.7139 1.2861 1.3798 1.6991 1.7378 2.0337 2.0504 2.0909 2.1137 2.8707 2.8884 3.1432 3.1710 3.3840 3.4271 3.8581 3.9235 4.3931 4.4204 4.5257 4.5441 4.8804 4.8875 6.4478 7.2478 7.6443 7.8199 7.8456 8.3096 9.0290 9.5123 9.7841 9.8790 k = 0.2844 0.6065 0.1728 ( 19623 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5829 -12.5816 -12.5809 -12.5800 -10.0302 -10.0241 -10.0185 -10.0172 -10.0147 -10.0128 -8.0266 -8.0196 -6.8872 -6.8863 -6.6589 -6.6487 -6.6310 -6.6211 -2.6602 -2.6593 -1.7322 -1.7293 1.2305 1.3212 1.6683 1.7061 2.0492 2.0693 2.0971 2.1211 2.8590 2.8759 3.1613 3.1887 3.4182 3.4630 3.8219 3.8937 4.3723 4.4014 4.4868 4.5087 4.8872 4.8937 6.4558 7.2702 7.6395 7.8355 7.8807 8.3386 9.1032 9.5772 9.7975 9.8759 k = 0.2686 0.6010 0.1814 ( 19626 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5830 -12.5816 -12.5810 -12.5800 -10.0305 -10.0241 -10.0189 -10.0171 -10.0148 -10.0129 -8.0418 -8.0350 -6.8925 -6.8917 -6.6473 -6.6382 -6.6131 -6.6044 -2.6246 -2.6236 -1.7475 -1.7445 1.1756 1.2632 1.6403 1.6769 2.0636 2.0879 2.1031 2.1279 2.8442 2.8604 3.1754 3.2023 3.4460 3.4908 3.7981 3.8739 4.3506 4.3816 4.4477 4.4731 4.8932 4.8993 6.4662 7.2900 7.6366 7.8536 7.9163 8.3666 9.1746 9.6291 9.8075 9.8714 k = 0.2528 0.5955 0.1899 ( 19637 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5816 -12.5811 -12.5801 -10.0308 -10.0242 -10.0192 -10.0170 -10.0150 -10.0130 -8.0568 -8.0502 -6.8982 -6.8976 -6.6363 -6.6281 -6.5943 -6.5866 -2.5883 -2.5870 -1.7625 -1.7595 1.1221 1.2064 1.6150 1.6498 2.0759 2.1051 2.1092 2.1335 2.8265 2.8426 3.1854 3.2119 3.4667 3.5094 3.7882 3.8650 4.3283 4.3607 4.4088 4.4375 4.8987 4.9043 6.4794 7.3060 7.6374 7.8738 7.9511 8.3930 9.2417 9.6639 9.8101 9.8719 k = 0.2370 0.5900 0.1985 ( 19633 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5832 -12.5817 -12.5811 -12.5801 -10.0311 -10.0242 -10.0196 -10.0170 -10.0151 -10.0130 -8.0716 -8.0651 -6.9041 -6.9037 -6.6256 -6.6183 -6.5752 -6.5684 -2.5514 -2.5500 -1.7772 -1.7741 1.0704 1.1513 1.5920 1.6250 2.0848 2.1148 2.1210 2.1382 2.8066 2.8238 3.1916 3.2177 3.4811 3.5202 3.7913 3.8661 4.3055 4.3379 4.3716 4.4022 4.9037 4.9089 6.4955 7.3173 7.6433 7.8952 7.9846 8.4173 9.3031 9.6803 9.8022 9.8846 k = 0.2212 0.5845 0.2070 ( 19630 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5833 -12.5817 -12.5812 -12.5801 -10.0313 -10.0243 -10.0200 -10.0170 -10.0151 -10.0131 -8.0858 -8.0796 -6.9103 -6.9099 -6.6152 -6.6086 -6.5563 -6.5502 -2.5142 -2.5126 -1.7915 -1.7883 1.0209 1.0983 1.5714 1.6022 2.0886 2.1224 2.1293 2.1449 2.7861 2.8056 3.1942 3.2201 3.4911 3.5263 3.8039 3.8749 4.2822 4.3102 4.3392 4.3677 4.9082 4.9130 6.5149 7.3234 7.6554 7.9170 8.0164 8.4385 9.3572 9.6814 9.7893 9.9068 k = 0.2054 0.5790 0.2156 ( 19635 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5834 -12.5818 -12.5812 -12.5802 -10.0315 -10.0244 -10.0204 -10.0171 -10.0151 -10.0132 -8.0995 -8.0935 -6.9164 -6.9160 -6.6051 -6.5990 -6.5378 -6.5323 -2.4769 -2.4752 -1.8054 -1.8022 0.9741 1.0479 1.5528 1.5814 2.0867 2.1256 2.1331 2.1556 2.7670 2.7897 3.1934 3.2196 3.4987 3.5307 3.8220 3.8884 4.2578 4.2761 4.3135 4.3349 4.9125 4.9168 6.5378 7.3241 7.6739 7.9386 8.0460 8.4559 9.4020 9.6723 9.7787 9.9332 k = 0.1896 0.5735 0.2241 ( 19641 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5835 -12.5819 -12.5812 -12.5802 -10.0317 -10.0246 -10.0207 -10.0172 -10.0151 -10.0132 -8.1125 -8.1068 -6.9224 -6.9220 -6.5953 -6.5897 -6.5200 -6.5149 -2.4400 -2.4381 -1.8188 -1.8157 0.9304 1.0005 1.5361 1.5622 2.0792 2.1171 2.1417 2.1661 2.7515 2.7779 3.1895 3.2165 3.5057 3.5356 3.8426 3.9042 4.2308 4.2394 4.2915 4.3051 4.9164 4.9205 6.5640 7.3199 7.6986 7.9595 8.0732 8.4687 9.4350 9.6577 9.7756 9.9610 k = 0.1738 0.5680 0.2327 ( 19649 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5835 -12.5820 -12.5812 -12.5802 -10.0318 -10.0248 -10.0209 -10.0173 -10.0151 -10.0133 -8.1247 -8.1194 -6.9282 -6.9279 -6.5859 -6.5807 -6.5030 -6.4984 -2.4036 -2.4016 -1.8319 -1.8289 0.8901 0.9562 1.5210 1.5446 2.0663 2.1021 2.1505 2.1751 2.7415 2.7715 3.1827 3.2111 3.5135 3.5420 3.8639 3.9203 4.1968 4.2060 4.2705 4.2798 4.9201 4.9238 6.5937 7.3113 7.7291 7.9795 8.0976 8.4762 9.4544 9.6405 9.7833 9.9890 k = 0.1580 0.5625 0.2412 ( 19650 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5821 -12.5812 -12.5803 -10.0319 -10.0252 -10.0211 -10.0175 -10.0150 -10.0134 -8.1361 -8.1311 -6.9338 -6.9334 -6.5769 -6.5721 -6.4871 -6.4829 -2.3681 -2.3659 -1.8446 -1.8417 0.8534 0.9153 1.5073 1.5283 2.0482 2.0817 2.1589 2.1826 2.7381 2.7713 3.1729 3.2035 3.5226 3.5503 3.8846 3.9356 4.1588 4.1738 4.2502 4.2591 4.9236 4.9270 6.6265 7.2989 7.7646 7.9984 8.1188 8.4782 9.4606 9.6222 9.8027 10.0164 k = 0.1422 0.5570 0.2498 ( 19656 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5822 -12.5812 -12.5803 -10.0319 -10.0256 -10.0211 -10.0176 -10.0149 -10.0135 -8.1465 -8.1420 -6.9389 -6.9386 -6.5684 -6.5640 -6.4724 -6.4686 -2.3337 -2.3314 -1.8570 -1.8542 0.8206 0.8781 1.4949 1.5133 2.0258 2.0570 2.1667 2.1888 2.7415 2.7774 3.1604 3.1936 3.5334 3.5605 3.9043 3.9495 4.1206 4.1401 4.2316 4.2411 4.9269 4.9300 6.6623 7.2834 7.8043 8.0165 8.1365 8.4747 9.4573 9.6033 9.8315 10.0424 k = 0.1264 0.5515 0.2583 ( 19665 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5823 -12.5812 -12.5804 -10.0319 -10.0261 -10.0211 -10.0178 -10.0148 -10.0135 -8.1560 -8.1519 -6.9437 -6.9434 -6.5604 -6.5565 -6.4589 -6.4555 -2.3008 -2.2985 -1.8690 -1.8664 0.7919 0.8445 1.4835 1.4993 2.0006 2.0295 2.1739 2.1940 2.7512 2.7892 3.1454 3.1813 3.5461 3.5727 3.9225 3.9613 4.0835 4.1059 4.2150 4.2245 4.9299 4.9328 6.7006 7.2651 7.8474 8.0337 8.1505 8.4658 9.4488 9.5838 9.8662 10.0664 k = 0.1106 0.5460 0.2669 ( 19665 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5837 -12.5825 -12.5811 -12.5804 -10.0319 -10.0266 -10.0210 -10.0180 -10.0147 -10.0136 -8.1644 -8.1608 -6.9480 -6.9477 -6.5531 -6.5497 -6.4469 -6.4438 -2.2697 -2.2674 -1.8806 -1.8783 0.7672 0.8147 1.4731 1.4864 1.9742 2.0008 2.1804 2.1982 2.7662 2.8061 3.1279 3.1666 3.5607 3.5867 3.9387 3.9696 4.0487 4.0727 4.1998 4.2091 4.9327 4.9353 6.7408 7.2442 7.8931 8.0503 8.1608 8.4518 9.4387 9.5637 9.9034 10.0875 k = 0.0948 0.5405 0.2754 ( 19672 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5826 -12.5811 -12.5805 -10.0318 -10.0271 -10.0209 -10.0183 -10.0146 -10.0137 -8.1718 -8.1686 -6.9519 -6.9516 -6.5466 -6.5436 -6.4362 -6.4336 -2.2408 -2.2386 -1.8918 -1.8898 0.7468 0.7886 1.4636 1.4745 1.9485 1.9725 2.1862 2.2016 2.7855 2.8268 3.1083 3.1493 3.5771 3.6022 3.9518 3.9701 4.0193 4.0442 4.1858 4.1947 4.9352 4.9375 6.7825 7.2208 7.9406 8.0664 8.1674 8.4330 9.4294 9.5434 9.9408 10.1050 k = 0.0790 0.5350 0.2840 ( 19663 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5827 -12.5811 -12.5805 -10.0316 -10.0277 -10.0207 -10.0185 -10.0145 -10.0137 -8.1780 -8.1754 -6.9552 -6.9549 -6.5409 -6.5383 -6.4271 -6.4248 -2.2145 -2.2124 -1.9026 -1.9009 0.7304 0.7661 1.4551 1.4637 1.9249 1.9459 2.1914 2.2042 2.8081 2.8505 3.0870 3.1298 3.5950 3.6188 3.9542 3.9574 4.0016 4.0284 4.1729 4.1814 4.9373 4.9393 6.8250 7.1950 7.9886 8.0825 8.1705 8.4098 9.4222 9.5230 9.9769 10.1181 k = 0.0632 0.5295 0.2925 ( 19679 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5836 -12.5829 -12.5810 -12.5806 -10.0314 -10.0282 -10.0205 -10.0187 -10.0144 -10.0138 -8.1831 -8.1810 -6.9579 -6.9577 -6.5361 -6.5340 -6.4195 -6.4177 -2.1913 -2.1894 -1.9125 -1.9111 0.7180 0.7473 1.4477 1.4542 1.9048 1.9224 2.1958 2.2061 2.8329 2.8759 3.0643 3.1081 3.6139 3.6359 3.9295 3.9427 4.0007 4.0267 4.1613 4.1692 4.9392 4.9408 6.8679 7.1669 8.0356 8.0991 8.1706 8.3825 9.4181 9.5030 10.0104 10.1265 k = 0.0474 0.5240 0.3011 ( 19674 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5835 -12.5830 -12.5810 -12.5806 -10.0312 -10.0287 -10.0203 -10.0189 -10.0144 -10.0139 -8.1871 -8.1854 -6.9600 -6.9598 -6.5322 -6.5306 -6.4136 -6.4122 -2.1718 -2.1703 -1.9213 -1.9202 0.7095 0.7319 1.4416 1.4463 1.8890 1.9027 2.1996 2.2074 2.8592 2.9018 3.0411 3.0847 3.6330 3.6522 3.9038 3.9186 4.0088 4.0298 4.1514 4.1584 4.9407 4.9420 6.9104 7.1364 8.0778 8.1187 8.1685 8.3514 9.4175 9.4839 10.0407 10.1296 k = 0.0316 0.5185 0.3096 ( 19677 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5835 -12.5831 -12.5809 -12.5807 -10.0309 -10.0292 -10.0201 -10.0191 -10.0143 -10.0140 -8.1898 -8.1887 -6.9615 -6.9614 -6.5293 -6.5282 -6.4092 -6.4083 -2.1569 -2.1558 -1.9283 -1.9276 0.7047 0.7198 1.4372 1.4401 1.8781 1.8875 2.2027 2.2078 2.8859 2.9258 3.0194 3.0602 3.6510 3.6659 3.8827 3.8951 4.0181 4.0328 4.1439 4.1494 4.9419 4.9427 6.9522 7.1037 8.1072 8.1428 8.1703 8.3169 9.4205 9.4662 10.0672 10.1274 k = 0.0158 0.5130 0.3182 ( 19675 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5834 -12.5832 -12.5809 -12.5807 -10.0305 -10.0297 -10.0198 -10.0194 -10.0142 -10.0140 -8.1913 -8.1908 -6.9624 -6.9624 -6.5274 -6.5269 -6.4065 -6.4060 -2.1473 -2.1467 -1.9329 -1.9325 0.7035 0.7111 1.4347 1.4361 1.8725 1.8772 2.2050 2.2076 2.9116 2.9403 3.0066 3.0357 3.6657 3.6741 3.8696 3.8769 4.0261 4.0337 4.1397 4.1427 4.9427 4.9431 6.9927 7.0687 8.1249 8.1464 8.1991 8.2793 9.4272 9.4505 10.0894 10.1198 k = 0.0000 0.5075 0.3267 ( 19670 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0301 -10.0301 -10.0196 -10.0196 -10.0141 -10.0141 -8.1917 -8.1917 -6.9627 -6.9627 -6.5266 -6.5266 -6.4054 -6.4054 -2.1438 -2.1438 -1.9344 -1.9344 0.7056 0.7056 1.4342 1.4342 1.8722 1.8722 2.2067 2.2067 2.9331 2.9331 3.0144 3.0144 3.6742 3.6742 3.8675 3.8675 4.0315 4.0315 4.1393 4.1393 4.9431 4.9431 7.0316 7.0316 8.1375 8.1375 8.2393 8.2393 9.4373 9.4373 10.1071 10.1071 k = 0.0000 0.5075 0.3267 ( 19670 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0301 -10.0301 -10.0196 -10.0196 -10.0141 -10.0141 -8.1917 -8.1917 -6.9627 -6.9627 -6.5266 -6.5266 -6.4054 -6.4054 -2.1438 -2.1438 -1.9344 -1.9344 0.7056 0.7056 1.4342 1.4342 1.8722 1.8722 2.2067 2.2067 2.9331 2.9331 3.0144 3.0144 3.6742 3.6742 3.8675 3.8675 4.0315 4.0315 4.1393 4.1393 4.9431 4.9431 7.0316 7.0316 8.1375 8.1375 8.2393 8.2393 9.4373 9.4373 10.1071 10.1071 k = 0.0100 0.4991 0.3398 ( 19676 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0302 -10.0300 -10.0196 -10.0196 -10.0141 -10.0141 -8.1916 -8.1913 -6.9624 -6.9621 -6.5270 -6.5269 -6.4061 -6.4058 -2.1442 -2.1439 -1.9347 -1.9335 0.7068 0.7080 1.4317 1.4360 1.8729 1.8733 2.2052 2.2055 2.9338 2.9361 3.0136 3.0151 3.6744 3.6763 3.8589 3.8679 4.0289 4.0393 4.1357 4.1391 4.9403 4.9408 7.0143 7.0500 8.1016 8.1580 8.2411 8.2626 9.4386 9.4394 10.0928 10.1159 k = 0.0200 0.4907 0.3528 ( 19674 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0303 -10.0300 -10.0196 -10.0196 -10.0142 -10.0141 -8.1912 -8.1906 -6.9613 -6.9606 -6.5280 -6.5278 -6.4080 -6.4073 -2.1450 -2.1446 -1.9346 -1.9321 0.7114 0.7138 1.4284 1.4368 1.8755 1.8765 2.2011 2.2018 2.9380 2.9425 3.0127 3.0156 3.6769 3.6805 3.8437 3.8595 4.0319 4.0506 4.1282 4.1352 4.9325 4.9335 6.9985 7.0691 8.0648 8.1543 8.2759 8.2963 9.4432 9.4448 10.0735 10.1189 k = 0.0300 0.4822 0.3659 ( 19662 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0303 -10.0299 -10.0196 -10.0196 -10.0143 -10.0142 -8.1905 -8.1896 -6.9593 -6.9583 -6.5297 -6.5294 -6.4109 -6.4100 -2.1463 -2.1456 -1.9338 -1.9302 0.7195 0.7230 1.4243 1.4365 1.8801 1.8819 2.1947 2.1957 2.9452 2.9520 3.0119 3.0164 3.6811 3.6864 3.8240 3.8438 4.0392 4.0635 4.1173 4.1277 4.9199 4.9215 6.9844 7.0885 8.0318 8.1443 8.3254 8.3361 9.4513 9.4535 10.0496 10.1159 k = 0.0400 0.4738 0.3790 ( 19652 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5833 -12.5808 -12.5808 -10.0304 -10.0298 -10.0196 -10.0196 -10.0144 -10.0142 -8.1894 -8.1882 -6.9564 -6.9551 -6.5320 -6.5316 -6.4149 -6.4137 -2.1480 -2.1472 -1.9326 -1.9278 0.7309 0.7355 1.4192 1.4349 1.8870 1.8898 2.1862 2.1875 2.9547 2.9638 3.0118 3.0179 3.6865 3.6933 3.8015 3.8228 4.0489 4.0764 4.1035 4.1171 4.9028 4.9049 6.9723 7.1077 8.0043 8.1367 8.3800 8.3802 9.4629 9.4654 10.0216 10.1069 k = 0.0500 0.4654 0.3920 ( 19660 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5832 -12.5809 -12.5809 -10.0304 -10.0297 -10.0196 -10.0196 -10.0145 -10.0143 -8.1879 -8.1865 -6.9526 -6.9510 -6.5349 -6.5343 -6.4200 -6.4184 -2.1501 -2.1491 -1.9308 -1.9250 0.7455 0.7512 1.4129 1.4317 1.8964 1.9006 2.1760 2.1775 2.9653 2.9760 3.0141 3.0210 3.6918 3.6995 3.7779 3.7984 4.0585 4.0807 4.0951 4.1046 4.8816 4.8843 6.9626 7.1264 7.9829 8.1334 8.4275 8.4369 9.4782 9.4805 9.9903 10.0917 k = 0.0600 0.4570 0.4051 ( 19662 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5833 -12.5832 -12.5809 -12.5809 -10.0304 -10.0296 -10.0197 -10.0196 -10.0147 -10.0145 -8.1861 -8.1845 -6.9480 -6.9461 -6.5383 -6.5377 -6.4261 -6.4242 -2.1526 -2.1514 -1.9286 -1.9218 0.7632 0.7699 1.4055 1.4266 1.9087 1.9146 2.1646 2.1663 2.9752 2.9850 3.0219 3.0273 3.6952 3.7011 3.7568 3.7728 4.0634 4.0637 4.0942 4.1050 4.8568 4.8600 6.9555 7.1442 7.9683 8.1345 8.4770 8.4945 9.4972 9.4986 9.9567 10.0710 k = 0.0700 0.4486 0.4182 ( 19658 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5832 -12.5832 -12.5809 -12.5809 -10.0305 -10.0295 -10.0197 -10.0196 -10.0149 -10.0146 -8.1841 -8.1822 -6.9426 -6.9404 -6.5422 -6.5415 -6.4332 -6.4310 -2.1554 -2.1541 -1.9259 -1.9183 0.7837 0.7914 1.3967 1.4197 1.9240 1.9322 2.1523 2.1542 2.9826 2.9890 3.0366 3.0378 3.6909 3.6924 3.7450 3.7499 4.0424 4.0562 4.0945 4.1162 4.8289 4.8326 6.9514 7.1610 7.9604 8.1398 8.5276 8.5518 9.5191 9.5200 9.9220 10.0452 k = 0.0800 0.4402 0.4313 ( 19654 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5832 -12.5832 -12.5810 -12.5809 -10.0305 -10.0294 -10.0197 -10.0196 -10.0151 -10.0147 -8.1817 -8.1797 -6.9364 -6.9339 -6.5465 -6.5457 -6.4412 -6.4387 -2.1585 -2.1570 -1.9228 -1.9144 0.8069 0.8155 1.3865 1.4108 1.9426 1.9534 2.1396 2.1419 2.9872 2.9899 3.0526 3.0558 3.6685 3.6775 3.7349 3.7417 4.0210 4.0403 4.1019 4.1264 4.7984 4.8028 6.9505 7.1769 7.9588 8.1487 8.5782 8.6076 9.5411 9.5467 9.8883 10.0153 k = 0.0900 0.4318 0.4443 ( 19656 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5832 -12.5831 -12.5810 -12.5810 -10.0305 -10.0294 -10.0197 -10.0197 -10.0153 -10.0149 -8.1792 -8.1770 -6.9294 -6.9267 -6.5512 -6.5504 -6.4500 -6.4474 -2.1617 -2.1602 -1.9194 -1.9104 0.8323 0.8418 1.3750 1.4001 1.9643 1.9782 2.1270 2.1298 2.9897 2.9899 3.0698 3.0767 3.6410 3.6518 3.7254 3.7383 4.0012 4.0234 4.1103 4.1352 4.7661 4.7710 6.9533 7.1923 7.9630 8.1605 8.6279 8.6610 9.5628 9.5771 9.8585 9.9829 k = 0.1000 0.4234 0.4574 ( 19652 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5832 -12.5831 -12.5810 -12.5810 -10.0305 -10.0293 -10.0197 -10.0197 -10.0155 -10.0151 -8.1765 -8.1741 -6.9217 -6.9187 -6.5561 -6.5553 -6.4597 -6.4568 -2.1651 -2.1635 -1.9156 -1.9061 0.8599 0.8700 1.3624 1.3877 1.9887 2.0062 2.1154 2.1188 2.9893 2.9917 3.0878 3.0978 3.6126 3.6218 3.7140 3.7292 3.9851 4.0086 4.1180 4.1424 4.7325 4.7379 6.9599 7.2075 7.9721 8.1743 8.6753 8.7106 9.5807 9.6110 9.8373 9.9496 k = 0.1100 0.4149 0.4705 ( 19650 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5831 -12.5831 -12.5811 -12.5811 -10.0305 -10.0292 -10.0197 -10.0197 -10.0158 -10.0153 -8.1736 -8.1711 -6.9133 -6.9101 -6.5613 -6.5604 -6.4702 -6.4671 -2.1686 -2.1670 -1.9116 -1.9018 0.8891 0.8999 1.3489 1.3739 2.0144 2.0357 2.1064 2.1107 2.9889 2.9930 3.1048 3.1175 3.5855 3.5914 3.6965 3.7118 3.9744 3.9977 4.1244 4.1478 4.6982 4.7041 6.9706 7.2231 7.9849 8.1895 8.7191 8.7552 9.5903 9.6473 9.8308 9.9182 k = 0.1200 0.4065 0.4835 ( 19646 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5831 -12.5830 -12.5811 -12.5811 -10.0305 -10.0291 -10.0198 -10.0197 -10.0160 -10.0155 -8.1706 -8.1681 -6.9043 -6.9009 -6.5666 -6.5657 -6.4813 -6.4780 -2.1721 -2.1705 -1.9074 -1.8974 0.9195 0.9309 1.3346 1.3591 2.0371 2.0595 2.1077 2.1098 2.9886 2.9943 3.1191 3.1343 3.5612 3.5628 3.6717 3.6851 3.9696 3.9913 4.1290 4.1513 4.6638 4.6702 6.9854 7.2397 8.0002 8.2051 8.7579 8.7936 9.5891 9.6837 9.8429 9.8927 k = 0.1300 0.3981 0.4966 ( 19646 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5830 -12.5830 -12.5812 -12.5811 -10.0304 -10.0291 -10.0198 -10.0198 -10.0162 -10.0157 -8.1675 -8.1650 -6.8947 -6.8910 -6.5720 -6.5711 -6.4929 -6.4895 -2.1756 -2.1740 -1.9030 -1.8930 0.9509 0.9626 1.3200 1.3435 2.0488 2.0640 2.1243 2.1324 2.9885 2.9955 3.1292 3.1463 3.5377 3.5417 3.6403 3.6500 3.9696 3.9891 4.1317 4.1525 4.6301 4.6369 7.0045 7.2576 8.0169 8.2203 8.7901 8.8245 9.5803 9.7147 9.8724 9.8802 k = 0.1400 0.3897 0.5097 ( 19654 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5830 -12.5830 -12.5812 -12.5812 -10.0304 -10.0290 -10.0198 -10.0198 -10.0164 -10.0159 -8.1644 -8.1620 -6.8845 -6.8808 -6.5773 -6.5764 -6.5050 -6.5015 -2.1790 -2.1774 -1.8986 -1.8888 0.9827 0.9946 1.3054 1.3277 2.0491 2.0586 2.1546 2.1714 2.9885 2.9967 3.1334 3.1518 3.5168 3.5283 3.6049 3.6085 3.9729 3.9900 4.1320 4.1512 4.5976 4.6048 7.0278 7.2770 8.0339 8.2344 8.8144 8.8467 9.5700 9.7321 9.8905 9.9144 k = 0.1500 0.3813 0.5227 ( 19664 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5830 -12.5829 -12.5813 -12.5812 -10.0303 -10.0290 -10.0199 -10.0199 -10.0166 -10.0160 -8.1614 -8.1590 -6.8740 -6.8701 -6.5824 -6.5817 -6.5175 -6.5139 -2.1823 -2.1808 -1.8943 -1.8847 1.0144 1.0262 1.2910 1.3118 2.0450 2.0518 2.1935 2.2157 2.9884 2.9979 3.1309 3.1495 3.4970 3.5203 3.5639 3.5715 3.9783 3.9930 4.1297 4.1473 4.5670 4.5745 7.0550 7.2979 8.0503 8.2466 8.8297 8.8597 9.5634 9.7350 9.9250 9.9649 k = 0.1600 0.3729 0.5358 ( 19664 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5829 -12.5829 -12.5813 -12.5813 -10.0303 -10.0289 -10.0199 -10.0199 -10.0168 -10.0162 -8.1585 -8.1562 -6.8631 -6.8591 -6.5874 -6.5867 -6.5302 -6.5265 -2.1854 -2.1839 -1.8899 -1.8808 1.0454 1.0571 1.2771 1.2963 2.0402 2.0456 2.2370 2.2633 2.9881 2.9988 3.1220 3.1394 3.4679 3.4983 3.5372 3.5522 3.9845 3.9971 4.1246 4.1404 4.5390 4.5466 7.0859 7.3200 8.0655 8.2563 8.8359 8.8634 9.5635 9.7327 9.9751 10.0211 k = 0.1700 0.3645 0.5489 ( 19660 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5829 -12.5828 -12.5814 -12.5813 -10.0302 -10.0289 -10.0200 -10.0200 -10.0170 -10.0164 -8.1556 -8.1535 -6.8519 -6.8479 -6.5921 -6.5916 -6.5429 -6.5393 -2.1882 -2.1869 -1.8858 -1.8772 1.0754 1.0866 1.2641 1.2815 2.0361 2.0406 2.2835 2.3129 2.9871 2.9994 3.1081 3.1231 3.4250 3.4483 3.5425 3.5518 3.9908 4.0016 4.1165 4.1306 4.5140 4.5216 7.1199 7.3428 8.0789 8.2628 8.8338 8.8586 9.5714 9.7315 10.0332 10.0811 k = 0.1800 0.3560 0.5619 ( 19646 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5828 -12.5828 -12.5814 -12.5814 -10.0301 -10.0289 -10.0200 -10.0200 -10.0171 -10.0166 -8.1530 -8.1511 -6.8408 -6.8368 -6.5965 -6.5961 -6.5555 -6.5519 -2.1908 -2.1896 -1.8818 -1.8740 1.1036 1.1141 1.2522 1.2676 2.0331 2.0368 2.3320 2.3640 2.9849 2.9992 3.0914 3.1034 3.3747 3.3925 3.5571 3.5630 3.9969 4.0060 4.1054 4.1179 4.4926 4.4999 7.1565 7.3654 8.0904 8.2654 8.8251 8.8470 9.5865 9.7337 10.0958 10.1435 k = 0.1900 0.3476 0.5750 ( 19658 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5828 -12.5828 -12.5814 -12.5814 -10.0300 -10.0289 -10.0201 -10.0201 -10.0172 -10.0167 -8.1506 -8.1489 -6.8297 -6.8259 -6.6004 -6.6002 -6.5676 -6.5643 -2.1932 -2.1921 -1.8782 -1.8712 1.1295 1.1390 1.2415 1.2548 2.0313 2.0344 2.3814 2.4154 2.9811 2.9977 3.0746 3.0834 3.3215 3.3351 3.5759 3.5804 4.0025 4.0101 4.0919 4.1027 4.4747 4.4816 7.1949 7.3865 8.1004 8.2638 8.8123 8.8308 9.6073 9.7388 10.1607 10.2069 k = 0.2000 0.3392 0.5881 ( 19652 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5828 -12.5827 -12.5815 -12.5815 -10.0299 -10.0290 -10.0201 -10.0201 -10.0173 -10.0168 -8.1485 -8.1470 -6.8191 -6.8155 -6.6039 -6.6038 -6.5790 -6.5761 -2.1951 -2.1942 -1.8748 -1.8689 1.1527 1.1609 1.2324 1.2435 2.0305 2.0331 2.4309 2.4659 2.9749 2.9944 3.0604 3.0661 3.2680 3.2774 3.5967 3.6005 4.0073 4.0135 4.0766 4.0858 4.4605 4.4667 7.2342 7.4046 8.1096 8.2576 8.7976 8.8125 9.6318 9.7455 10.2266 10.2703 k = 0.2100 0.3308 0.6011 ( 19656 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5815 -12.5815 -10.0298 -10.0290 -10.0202 -10.0202 -10.0173 -10.0170 -8.1466 -8.1454 -6.8092 -6.8060 -6.6072 -6.6068 -6.5892 -6.5868 -2.1968 -2.1960 -1.8719 -1.8670 1.1726 1.1792 1.2251 1.2337 2.0307 2.0327 2.4790 2.5137 2.9667 2.9891 3.0506 3.0533 3.2162 3.2210 3.6178 3.6211 4.0114 4.0161 4.0607 4.0683 4.4497 4.4550 7.2733 7.4181 8.1188 8.2469 8.7832 8.7945 9.6580 9.7520 10.2924 10.3326 k = 0.2200 0.3224 0.6142 ( 19664 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0297 -10.0291 -10.0202 -10.0202 -10.0173 -10.0171 -8.1451 -8.1442 -6.8005 -6.7978 -6.6101 -6.6093 -6.5976 -6.5961 -2.1981 -2.1975 -1.8694 -1.8657 1.1888 1.1935 1.2195 1.2256 2.0314 2.0328 2.5240 2.5560 2.9587 2.9827 3.0455 3.0457 3.1678 3.1681 3.6373 3.6401 4.0145 4.0179 4.0458 4.0516 4.4420 4.4461 7.3109 7.4253 8.1293 8.2322 8.7707 8.7786 9.6839 9.7563 10.3570 10.3926 k = 0.2300 0.3140 0.6273 ( 19672 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0296 -10.0292 -10.0202 -10.0202 -10.0173 -10.0172 -8.1440 -8.1434 -6.7935 -6.7916 -6.6127 -6.6115 -6.6035 -6.6030 -2.1990 -2.1986 -1.8674 -1.8649 1.2010 1.2034 1.2161 1.2193 2.0323 2.0332 2.5630 2.5887 2.9542 2.9766 3.0421 3.0451 3.1211 3.1262 3.6535 3.6556 4.0166 4.0184 4.0340 4.0377 4.4370 4.4398 7.3455 7.4249 8.1421 8.2144 8.7613 8.7662 9.7076 9.7570 10.4195 10.4484 k = 0.2400 0.3056 0.6403 ( 19674 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0295 -10.0292 -10.0203 -10.0203 -10.0173 -10.0172 -8.1432 -8.1429 -6.7888 -6.7878 -6.6147 -6.6137 -6.6069 -6.6068 -2.1995 -2.1993 -1.8660 -1.8647 1.2087 1.2089 1.2148 1.2150 2.0331 2.0335 2.5926 2.6074 2.9559 2.9705 3.0431 3.0480 3.0863 3.0938 3.6644 3.6656 4.0172 4.0174 4.0275 4.0288 4.4344 4.4358 7.3756 7.4164 8.1576 8.1950 8.7558 8.7581 9.7277 9.7527 10.4783 10.4965 k = 0.2500 0.2972 0.6534 ( 19660 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0293 -10.0293 -10.0203 -10.0203 -10.0173 -10.0173 -8.1429 -8.1429 -6.7868 -6.7868 -6.6151 -6.6151 -6.6079 -6.6079 -2.1996 -2.1996 -1.8651 -1.8651 1.2110 1.2110 1.2140 1.2140 2.0335 2.0335 2.6085 2.6086 2.9629 2.9629 3.0482 3.0482 3.0758 3.0758 3.6687 3.6687 4.0166 4.0166 4.0260 4.0260 4.4340 4.4340 7.3996 7.3996 8.1756 8.1756 8.7547 8.7547 9.7430 9.7430 10.5252 10.5253 k = 0.2500 0.2972 0.6534 ( 19660 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0293 -10.0293 -10.0203 -10.0203 -10.0173 -10.0173 -8.1429 -8.1429 -6.7868 -6.7868 -6.6151 -6.6151 -6.6079 -6.6079 -2.1996 -2.1996 -1.8651 -1.8651 1.2110 1.2110 1.2140 1.2140 2.0335 2.0335 2.6085 2.6086 2.9629 2.9629 3.0482 3.0482 3.0758 3.0758 3.6687 3.6687 4.0166 4.0166 4.0260 4.0260 4.4340 4.4340 7.3996 7.3996 8.1756 8.1756 8.7547 8.7547 9.7430 9.7430 10.5252 10.5253 k = 0.2578 0.3064 0.6390 ( 19677 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0294 -10.0293 -10.0203 -10.0203 -10.0173 -10.0172 -8.1432 -8.1429 -6.7879 -6.7871 -6.6195 -6.6193 -6.6029 -6.6021 -2.2017 -2.2015 -1.8638 -1.8628 1.1825 1.1856 1.2410 1.2410 2.0324 2.0330 2.5978 2.6104 2.9547 2.9687 3.0425 3.0486 3.0828 3.0899 3.6660 3.6668 4.0093 4.0105 4.0348 4.0364 4.4332 4.4342 7.3830 7.4133 8.1610 8.1893 8.7570 8.7584 9.7295 9.7476 10.4892 10.5025 k = 0.2656 0.3157 0.6246 ( 19685 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0295 -10.0292 -10.0205 -10.0204 -10.0172 -10.0171 -8.1436 -8.1432 -6.7902 -6.7886 -6.6261 -6.6259 -6.5936 -6.5919 -2.2074 -2.2070 -1.8598 -1.8579 1.1530 1.1587 1.2698 1.2698 2.0285 2.0304 2.5798 2.6045 2.9511 2.9752 3.0375 3.0407 3.1074 3.1147 3.6588 3.6603 4.0053 4.0074 4.0460 4.0493 4.4319 4.4337 7.3655 7.4222 8.1466 8.2001 8.7658 8.7674 9.7101 9.7430 10.4467 10.4698 k = 0.2734 0.3250 0.6101 ( 19672 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5815 -10.0295 -10.0292 -10.0207 -10.0204 -10.0170 -10.0169 -8.1442 -8.1436 -6.7933 -6.7910 -6.6329 -6.6327 -6.5828 -6.5801 -2.2158 -2.2151 -1.8543 -1.8514 1.1250 1.1327 1.2990 1.2991 2.0204 2.0242 2.5591 2.5937 2.9530 2.9758 3.0346 3.0430 3.1369 3.1434 3.6473 3.6492 4.0080 4.0107 4.0563 4.0615 4.4300 4.4323 7.3476 7.4267 8.1320 8.2077 8.7802 8.7804 9.6866 9.7311 10.4053 10.4307 k = 0.2812 0.3343 0.5957 ( 19668 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5815 -10.0295 -10.0292 -10.0210 -10.0205 -10.0167 -10.0167 -8.1446 -8.1440 -6.7971 -6.7941 -6.6397 -6.6395 -6.5710 -6.5676 -2.2259 -2.2249 -1.8482 -1.8445 1.0992 1.1084 1.3284 1.3286 2.0073 2.0136 2.5403 2.5825 2.9520 2.9651 3.0384 3.0633 3.1677 3.1737 3.6326 3.6347 4.0168 4.0197 4.0657 4.0727 4.4273 4.4299 7.3297 7.4274 8.1171 8.2120 8.7959 8.7989 9.6604 9.7134 10.3653 10.3865 k = 0.2891 0.3436 0.5813 ( 19660 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5815 -10.0295 -10.0293 -10.0213 -10.0206 -10.0165 -10.0164 -8.1449 -8.1442 -6.8011 -6.7977 -6.6464 -6.6462 -6.5589 -6.5548 -2.2370 -2.2356 -1.8427 -1.8382 1.0761 1.0863 1.3580 1.3583 1.9888 1.9978 2.5266 2.5747 2.9411 2.9466 3.0562 3.0927 3.1987 3.2044 3.6158 3.6181 4.0308 4.0333 4.0742 4.0830 4.4238 4.4265 7.3122 7.4247 8.1016 8.2133 8.8121 8.8202 9.6328 9.6911 10.3261 10.3389 k = 0.2969 0.3529 0.5669 ( 19658 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5828 -12.5827 -12.5816 -12.5814 -10.0295 -10.0293 -10.0216 -10.0206 -10.0162 -10.0162 -8.1448 -8.1442 -6.8053 -6.8015 -6.6529 -6.6527 -6.5470 -6.5423 -2.2484 -2.2467 -1.8384 -1.8332 1.0562 1.0670 1.3876 1.3882 1.9654 1.9771 2.5202 2.5726 2.9216 2.9233 3.0841 3.1264 3.2293 3.2351 3.5984 3.6008 4.0488 4.0502 4.0828 4.0928 4.4193 4.4219 7.2953 7.4193 8.0857 8.2124 8.8268 8.8421 9.6049 9.6649 10.2866 10.2893 k = 0.3047 0.3622 0.5524 ( 19666 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5828 -12.5827 -12.5816 -12.5814 -10.0294 -10.0294 -10.0219 -10.0206 -10.0160 -10.0159 -8.1444 -8.1439 -6.8094 -6.8052 -6.6593 -6.6591 -6.5357 -6.5304 -2.2597 -2.2577 -1.8359 -1.8300 1.0399 1.0507 1.4172 1.4181 1.9382 1.9523 2.5214 2.5771 2.8964 2.8965 3.1172 3.1620 3.2589 3.2649 3.5819 3.5845 4.0675 4.0694 4.0932 4.1026 4.4137 4.4162 7.2795 7.4117 8.0695 8.2098 8.8383 8.8625 9.5776 9.6352 10.2385 10.2454 k = 0.3125 0.3714 0.5380 ( 19655 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5829 -12.5826 -12.5816 -12.5813 -10.0295 -10.0293 -10.0222 -10.0206 -10.0158 -10.0156 -8.1435 -8.1430 -6.8133 -6.8090 -6.6656 -6.6653 -6.5252 -6.5195 -2.2707 -2.2684 -1.8355 -1.8290 1.0273 1.0378 1.4466 1.4479 1.9087 1.9247 2.5299 2.5881 2.8665 2.8674 3.1526 3.1979 3.2862 3.2929 3.5677 3.5709 4.0813 4.0909 4.1092 4.1138 4.4069 4.4092 7.2649 7.4022 8.0529 8.2060 8.8448 8.8797 9.5514 9.6020 10.1876 10.2015 k = 0.3203 0.3807 0.5236 ( 19673 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5829 -12.5826 -12.5816 -12.5812 -10.0296 -10.0292 -10.0224 -10.0206 -10.0155 -10.0153 -8.1420 -8.1417 -6.8170 -6.8125 -6.6716 -6.6714 -6.5160 -6.5099 -2.2811 -2.2786 -1.8374 -1.8303 1.0186 1.0283 1.4758 1.4778 1.8786 1.8959 2.5450 2.6049 2.8341 2.8350 3.1886 3.2330 3.3097 3.3173 3.5581 3.5621 4.0908 4.1092 4.1299 4.1313 4.3990 4.4010 7.2518 7.3910 8.0361 8.2015 8.8454 8.8919 9.5267 9.5655 10.1374 10.1550 k = 0.3281 0.3900 0.5092 ( 19667 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5830 -12.5826 -12.5815 -12.5812 -10.0298 -10.0290 -10.0226 -10.0205 -10.0153 -10.0151 -8.1398 -8.1398 -6.8204 -6.8158 -6.6774 -6.6772 -6.5082 -6.5018 -2.2910 -2.2883 -1.8416 -1.8339 1.0138 1.0222 1.5046 1.5075 1.8492 1.8673 2.5653 2.6267 2.7998 2.8001 3.2237 3.2661 3.3269 3.3359 3.5557 3.5608 4.0985 4.1220 4.1530 4.1565 4.3901 4.3920 7.2403 7.3782 8.0193 8.1964 8.8394 8.8978 9.5038 9.5260 10.0884 10.1073 k = 0.3359 0.3993 0.4947 ( 19663 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5830 -12.5825 -12.5815 -12.5811 -10.0299 -10.0288 -10.0228 -10.0204 -10.0151 -10.0148 -8.1372 -8.1370 -6.8234 -6.8187 -6.6831 -6.6828 -6.5021 -6.4955 -2.3005 -2.2976 -1.8478 -1.8397 1.0128 1.0195 1.5330 1.5370 1.8219 1.8401 2.5894 2.6521 2.7636 2.7648 3.2568 3.2955 3.3361 3.3472 3.5634 3.5694 4.1061 4.1326 4.1793 4.1831 4.3804 4.3823 7.2306 7.3637 8.0025 8.1910 8.8268 8.8960 9.4827 9.4842 10.0414 10.0595 k = 0.3438 0.4086 0.4803 ( 19664 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5825 -12.5815 -12.5810 -10.0300 -10.0286 -10.0230 -10.0202 -10.0150 -10.0146 -8.1339 -8.1334 -6.8261 -6.8214 -6.6884 -6.6882 -6.4979 -6.4910 -2.3098 -2.3068 -1.8556 -1.8472 1.0156 1.0200 1.5607 1.5664 1.7978 1.8152 2.6140 2.6775 2.7290 2.7319 3.2855 3.3163 3.3380 3.3544 3.5821 3.5885 4.1137 4.1426 4.2068 4.2101 4.3705 4.3727 7.2227 7.3474 7.9861 8.1851 8.8082 8.8854 9.4412 9.4630 9.9967 10.0130 k = 0.3516 0.4179 0.4659 ( 19663 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5824 -12.5815 -12.5810 -10.0302 -10.0283 -10.0231 -10.0201 -10.0148 -10.0143 -8.1298 -8.1290 -6.8284 -6.8237 -6.6936 -6.6934 -6.4955 -6.4885 -2.3192 -2.3163 -1.8647 -1.8559 1.0220 1.0237 1.5876 1.5955 1.7777 1.7933 2.6281 2.6723 2.7120 2.7266 3.3027 3.3191 3.3406 3.3678 3.6105 3.6170 4.1212 4.1517 4.2346 4.2369 4.3613 4.3640 7.2166 7.3287 7.9703 8.1788 8.7841 8.8649 9.3983 9.4446 9.9548 9.9687 k = 0.3594 0.4272 0.4515 ( 19661 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5823 -12.5815 -12.5809 -10.0303 -10.0280 -10.0232 -10.0199 -10.0147 -10.0141 -8.1250 -8.1239 -6.8303 -6.8257 -6.6985 -6.6983 -6.4952 -6.4881 -2.3292 -2.3263 -1.8741 -1.8651 1.0303 1.0317 1.6130 1.6244 1.7625 1.7748 2.6126 2.6350 2.7238 2.7576 3.2979 3.3074 3.3559 3.3860 3.6463 3.6527 4.1279 4.1589 4.2623 4.2628 4.3542 4.3579 7.2123 7.3074 7.9554 8.1719 8.7554 8.8340 9.3572 9.4273 9.9159 9.9273 k = 0.3672 0.4364 0.4370 ( 19676 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5823 -12.5815 -12.5808 -10.0304 -10.0277 -10.0233 -10.0196 -10.0145 -10.0139 -8.1193 -8.1179 -6.8319 -6.8273 -6.7031 -6.7029 -6.4970 -6.4897 -2.3403 -2.3375 -1.8833 -1.8740 1.0396 1.0447 1.6364 1.6530 1.7533 1.7600 2.5785 2.5936 2.7559 2.7938 3.2812 3.2888 3.3757 3.4033 3.6875 3.6940 4.1324 4.1626 4.2865 4.2895 4.3516 4.3559 7.2097 7.2828 7.9416 8.1642 8.7230 8.7923 9.3188 9.4108 9.8804 9.8894 k = 0.3750 0.4457 0.4226 ( 19673 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5832 -12.5822 -12.5815 -12.5807 -10.0305 -10.0273 -10.0233 -10.0194 -10.0144 -10.0137 -8.1129 -8.1111 -6.8332 -6.8286 -6.7075 -6.7073 -6.5007 -6.4934 -2.3532 -2.3506 -1.8913 -1.8819 1.0515 1.0606 1.6565 1.6813 1.7491 1.7513 2.5392 2.5513 2.7947 2.8315 3.2597 3.2663 3.3942 3.4182 3.7328 3.7394 4.1332 4.1614 4.3063 4.3161 4.3567 4.3600 7.2088 7.2545 7.9294 8.1556 8.6877 8.7406 9.2838 9.3949 9.8484 9.8555 k = 0.3828 0.4550 0.4082 ( 19687 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5832 -12.5821 -12.5814 -12.5806 -10.0306 -10.0270 -10.0233 -10.0191 -10.0144 -10.0135 -8.1057 -8.1034 -6.8342 -6.8297 -6.7116 -6.7114 -6.5065 -6.4991 -2.3683 -2.3659 -1.8972 -1.8878 1.0660 1.0794 1.6722 1.7090 1.7422 1.7575 2.4982 2.5088 2.8361 2.8694 3.2352 3.2412 3.4105 3.4308 3.7812 3.7882 4.1289 4.1545 4.3220 4.3417 4.3709 4.3709 7.2093 7.2222 7.9190 8.1457 8.6501 8.6802 9.2517 9.3793 9.8201 9.8259 k = 0.3906 0.4643 0.3938 ( 19671 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5821 -12.5814 -12.5806 -10.0307 -10.0266 -10.0233 -10.0188 -10.0143 -10.0134 -8.0976 -8.0950 -6.8349 -6.8305 -6.7154 -6.7152 -6.5141 -6.5066 -2.3862 -2.3839 -1.9005 -1.8910 1.0828 1.1009 1.6842 1.7329 1.7426 1.7712 2.4567 2.4665 2.8779 2.9065 3.2088 3.2143 3.4248 3.4417 3.8320 3.8395 4.1193 4.1427 4.3372 4.3660 4.3880 4.3909 7.1856 7.2109 7.9104 8.1343 8.6109 8.6130 9.2216 9.3639 9.7957 9.8008 k = 0.3984 0.4736 0.3794 ( 19675 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5820 -12.5814 -12.5805 -10.0307 -10.0263 -10.0232 -10.0185 -10.0143 -10.0132 -8.0889 -8.0858 -6.8355 -6.8312 -6.7189 -6.7187 -6.5234 -6.5160 -2.4071 -2.4050 -1.9006 -1.8912 1.1020 1.1250 1.6945 1.7372 1.7656 1.7901 2.4155 2.4247 2.9186 2.9416 3.1810 3.1858 3.4376 3.4516 3.8844 3.8929 4.1054 4.1276 4.3545 4.3891 4.4100 4.4130 7.1448 7.2134 7.9035 8.1211 8.5411 8.5708 9.1924 9.3483 9.7752 9.7801 k = 0.4062 0.4829 0.3649 ( 19662 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5831 -12.5819 -12.5814 -12.5804 -10.0307 -10.0259 -10.0232 -10.0181 -10.0143 -10.0131 -8.0794 -8.0759 -6.8360 -6.8317 -6.7221 -6.7219 -6.5343 -6.5269 -2.4311 -2.4291 -1.8971 -1.8879 1.1236 1.1516 1.7052 1.7409 1.7921 1.8116 2.3748 2.3837 2.9567 2.9734 3.1521 3.1563 3.4490 3.4611 3.9376 3.9477 4.0892 4.1108 4.3743 4.4113 4.4351 4.4357 7.0999 7.2164 7.8981 8.1059 8.4667 8.5301 9.1629 9.3321 9.7586 9.7638 k = 0.4141 0.4922 0.3505 ( 19655 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5831 -12.5818 -12.5814 -12.5803 -10.0307 -10.0255 -10.0231 -10.0178 -10.0143 -10.0130 -8.0692 -8.0654 -6.8365 -6.8322 -6.7251 -6.7248 -6.5466 -6.5392 -2.4579 -2.4561 -1.8902 -1.8812 1.1476 1.1808 1.7175 1.7474 1.8183 1.8344 2.3350 2.3437 2.9905 3.0009 3.1226 3.1260 3.4592 3.4708 3.9897 4.0033 4.0741 4.0944 4.3962 4.4327 4.4583 4.4620 7.0514 7.2195 7.8936 8.0881 8.3920 8.4895 9.1321 9.3149 9.7458 9.7516 k = 0.4219 0.5015 0.3361 ( 19650 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5830 -12.5817 -12.5814 -12.5803 -10.0306 -10.0252 -10.0229 -10.0174 -10.0143 -10.0128 -8.0584 -8.0542 -6.8371 -6.8327 -6.7277 -6.7275 -6.5600 -6.5527 -2.4873 -2.4856 -1.8799 -1.8713 1.1740 1.2123 1.7316 1.7565 1.8439 1.8574 2.2963 2.3050 3.0185 3.0225 3.0935 3.0954 3.4678 3.4805 4.0283 4.0566 4.0739 4.0826 4.4192 4.4529 4.4807 4.4902 7.0000 7.2221 7.8893 8.0670 8.3192 8.4494 9.0991 9.2961 9.7367 9.7433 k = 0.4297 0.5107 0.3217 ( 19658 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5830 -12.5817 -12.5813 -12.5802 -10.0305 -10.0248 -10.0228 -10.0171 -10.0143 -10.0127 -8.0471 -8.0426 -6.8378 -6.8335 -6.7300 -6.7298 -6.5742 -6.5669 -2.5187 -2.5171 -1.8666 -1.8584 1.2027 1.2463 1.7478 1.7679 1.8687 1.8801 2.2589 2.2677 3.0343 3.0387 3.0661 3.0685 3.4736 3.4890 4.0296 4.0647 4.1142 4.1196 4.4427 4.4720 4.5030 4.5190 6.9464 7.2238 7.8843 8.0415 8.2508 8.4104 9.0634 9.2752 9.7307 9.7385 k = 0.4375 0.5200 0.3072 ( 19666 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5829 -12.5816 -12.5813 -12.5801 -10.0304 -10.0245 -10.0226 -10.0167 -10.0144 -10.0126 -8.0354 -8.0305 -6.8389 -6.8345 -6.7321 -6.7319 -6.5889 -6.5817 -2.5517 -2.5502 -1.8507 -1.8428 1.2338 1.2826 1.7659 1.7816 1.8924 1.9020 2.2230 2.2321 3.0216 3.0298 3.0591 3.0626 3.4751 3.4942 4.0242 4.0592 4.1662 4.1749 4.4661 4.4899 4.5254 4.5480 6.8916 7.2241 7.8779 8.0105 8.1895 8.3729 9.0249 9.2518 9.7276 9.7367 k = 0.4453 0.5293 0.2928 ( 19655 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5828 -12.5815 -12.5813 -12.5801 -10.0303 -10.0242 -10.0224 -10.0164 -10.0144 -10.0125 -8.0234 -8.0182 -6.8404 -6.8359 -6.7338 -6.7336 -6.6037 -6.5966 -2.5856 -2.5843 -1.8325 -1.8251 1.2671 1.3211 1.7858 1.7971 1.9148 1.9228 2.1887 2.1985 2.9946 3.0006 3.0660 3.0663 3.4708 3.4937 4.0245 4.0593 4.2185 4.2298 4.4892 4.5069 4.5486 4.5769 6.8365 7.2224 7.8692 7.9728 8.1375 8.3374 8.9838 9.2256 9.7265 9.7376 k = 0.4531 0.5386 0.2784 ( 19661 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5815 -12.5813 -12.5800 -10.0301 -10.0239 -10.0222 -10.0161 -10.0145 -10.0125 -8.0112 -8.0057 -6.8425 -6.8380 -6.7353 -6.7350 -6.6183 -6.6114 -2.6201 -2.6188 -1.8126 -1.8057 1.3026 1.3615 1.8073 1.8143 1.9356 1.9417 2.1564 2.1671 2.9663 2.9713 3.0671 3.0689 3.4592 3.4852 4.0330 4.0661 4.2691 4.2827 4.5117 4.5234 4.5727 4.6053 6.7821 7.2182 7.8575 7.9296 8.0947 8.3041 8.9404 9.1968 9.7269 9.7408 k = 0.4609 0.5479 0.2640 ( 19647 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5826 -12.5814 -12.5813 -12.5800 -10.0299 -10.0236 -10.0219 -10.0158 -10.0145 -10.0124 -7.9989 -7.9932 -6.8452 -6.8407 -6.7365 -6.7362 -6.6323 -6.6256 -2.6545 -2.6534 -1.7912 -1.7848 1.3401 1.4037 1.8302 1.8331 1.9542 1.9582 2.1263 2.1384 2.9386 2.9431 3.0646 3.0667 3.4401 3.4677 4.0494 4.0790 4.3165 4.3325 4.5340 4.5400 4.5981 4.6329 6.7297 7.2114 7.8423 7.8839 8.0592 8.2732 8.8959 9.1656 9.7277 9.7460 k = 0.4688 0.5572 0.2495 ( 19635 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5825 -12.5814 -12.5813 -12.5800 -10.0297 -10.0233 -10.0217 -10.0157 -10.0144 -10.0124 -7.9867 -7.9809 -6.8488 -6.8443 -6.7373 -6.7370 -6.6453 -6.6389 -2.6886 -2.6875 -1.7688 -1.7629 1.3792 1.4472 1.8534 1.8545 1.9699 1.9713 2.0988 2.1132 2.9126 2.9167 3.0587 3.0605 3.4139 3.4416 4.0720 4.0970 4.3591 4.3774 4.5571 4.5580 4.6248 4.6594 6.6804 7.2018 7.8236 7.8391 8.0283 8.2448 8.8511 9.1328 9.7282 9.7527 k = 0.4766 0.5665 0.2351 ( 19629 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5824 -12.5813 -12.5812 -12.5799 -10.0295 -10.0231 -10.0214 -10.0157 -10.0143 -10.0123 -7.9749 -7.9689 -6.8531 -6.8487 -6.7379 -6.7376 -6.6571 -6.6511 -2.7218 -2.7209 -1.7458 -1.7402 1.4195 1.4915 1.8752 1.8800 1.9795 1.9816 2.0749 2.0925 2.8889 2.8927 3.0500 3.0511 3.3814 3.4083 4.0982 4.1183 4.3954 4.4154 4.5790 4.5821 4.6522 4.6841 6.6356 7.1895 7.7974 7.8014 8.0004 8.2186 8.8073 9.0993 9.7277 9.7607 k = 0.4844 0.5757 0.2207 ( 19620 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5823 -12.5812 -12.5812 -12.5799 -10.0292 -10.0229 -10.0211 -10.0157 -10.0141 -10.0123 -7.9636 -7.9575 -6.8581 -6.8539 -6.7383 -6.7379 -6.6674 -6.6618 -2.7539 -2.7530 -1.7223 -1.7172 1.4605 1.5360 1.8986 1.9068 1.9812 1.9872 2.0563 2.0775 2.8681 2.8716 3.0387 3.0388 3.3441 3.3694 4.1256 4.1411 4.4239 4.4445 4.6043 4.6098 4.6795 4.7067 6.5965 7.1749 7.7601 7.7763 7.9749 8.1948 8.7658 9.0662 9.7263 9.7695 k = 0.4922 0.5850 0.2063 ( 19624 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5822 -12.5812 -12.5812 -12.5799 -10.0289 -10.0228 -10.0208 -10.0158 -10.0139 -10.0122 -7.9530 -7.9469 -6.8636 -6.8596 -6.7383 -6.7379 -6.6761 -6.6711 -2.7845 -2.7837 -1.6986 -1.6940 1.5018 1.5800 1.9234 1.9345 1.9762 1.9845 2.0449 2.0686 2.8507 2.8541 3.0241 3.0250 3.3035 3.3268 4.1520 4.1641 4.4444 4.4641 4.6340 4.6403 4.7058 4.7261 6.5646 7.1587 7.7274 7.7491 7.9522 8.1731 8.7275 9.0340 9.7245 9.7789 k = 0.5000 0.5943 0.1918 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5821 -12.5812 -12.5811 -12.5799 -10.0287 -10.0226 -10.0205 -10.0160 -10.0137 -10.0122 -7.9433 -7.9373 -6.8693 -6.8657 -6.7381 -6.7376 -6.6833 -6.6789 -2.8133 -2.8127 -1.6751 -1.6709 1.5424 1.6223 1.9483 1.9602 1.9687 1.9761 2.0396 2.0638 2.8373 2.8405 3.0070 3.0088 3.2612 3.2823 4.1762 4.1861 4.4577 4.4756 4.6666 4.6722 4.7294 4.7416 6.5414 7.1415 7.6992 7.7204 7.9334 8.1540 8.6930 9.0034 9.7231 9.7887 k = 0.5000 0.5943 0.1918 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5821 -12.5812 -12.5811 -12.5799 -10.0287 -10.0226 -10.0205 -10.0160 -10.0137 -10.0122 -7.9433 -7.9373 -6.8693 -6.8657 -6.7381 -6.7376 -6.6833 -6.6789 -2.8133 -2.8127 -1.6751 -1.6709 1.5424 1.6223 1.9483 1.9602 1.9687 1.9761 2.0396 2.0638 2.8373 2.8405 3.0070 3.0088 3.2612 3.2823 4.1762 4.1861 4.4577 4.4756 4.6666 4.6722 4.7294 4.7416 6.5414 7.1415 7.6992 7.7204 7.9334 8.1540 8.6930 9.0034 9.7231 9.7887 k = 0.5000 0.5943 0.1727 ( 19628 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5820 -12.5811 -12.5811 -12.5800 -10.0283 -10.0225 -10.0201 -10.0162 -10.0134 -10.0122 -7.9315 -7.9257 -6.8765 -6.8734 -6.7376 -6.7371 -6.6915 -6.6880 -2.8492 -2.8487 -1.6448 -1.6411 1.5962 1.6771 1.9492 1.9522 1.9933 2.0019 2.0354 2.0610 2.8229 2.8259 2.9818 2.9844 3.2038 3.2215 4.2073 4.2154 4.4702 4.4856 4.7093 4.7130 4.7537 4.7543 6.5235 7.1185 7.6658 7.6828 7.9168 8.1321 8.6482 8.9603 9.7218 9.8007 k = 0.5000 0.5943 0.1535 ( 19626 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5819 -12.5811 -12.5810 -12.5800 -10.0279 -10.0224 -10.0197 -10.0164 -10.0132 -10.0122 -7.9204 -7.9149 -6.8832 -6.8805 -6.7374 -6.7368 -6.6991 -6.6963 -2.8824 -2.8820 -1.6163 -1.6132 1.6504 1.7312 1.9348 1.9378 2.0253 2.0317 2.0382 2.0680 2.8097 2.8126 2.9551 2.9580 3.1457 3.1597 4.2401 4.2467 4.4812 4.4945 4.7468 4.7489 4.7576 4.7706 6.5194 7.0952 7.6354 7.6477 7.9114 8.1138 8.6007 8.9105 9.7210 9.8101 k = 0.5000 0.5943 0.1343 ( 19602 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5818 -12.5810 -12.5810 -12.5801 -10.0274 -10.0225 -10.0193 -10.0165 -10.0130 -10.0122 -7.9102 -7.9051 -6.8891 -6.8868 -6.7373 -6.7366 -6.7058 -6.7037 -2.9125 -2.9122 -1.5902 -1.5876 1.7044 1.7840 1.9216 1.9239 2.0272 2.0410 2.0734 2.0964 2.7978 2.8005 2.9270 2.9299 3.0883 3.0982 4.2743 4.2800 4.4909 4.5025 4.7519 4.7591 4.7850 4.7946 6.5283 7.0705 7.6076 7.6155 7.9180 8.0994 8.5518 8.8550 9.7214 9.8167 k = 0.5000 0.5943 0.1151 ( 19610 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5816 -12.5810 -12.5810 -12.5801 -10.0270 -10.0225 -10.0190 -10.0167 -10.0128 -10.0122 -7.9009 -7.8964 -6.8943 -6.8924 -6.7374 -6.7366 -6.7115 -6.7102 -2.9392 -2.9389 -1.5669 -1.5647 1.7573 1.8343 1.9102 1.9118 2.0262 2.0425 2.1123 2.1328 2.7871 2.7897 2.8979 2.9005 3.0331 3.0389 4.3098 4.3149 4.4992 4.5093 4.7380 4.7518 4.8172 4.8237 6.5492 7.0432 7.5824 7.5867 7.9364 8.0894 8.5033 8.7944 9.7234 9.8201 k = 0.5000 0.5943 0.0959 ( 19618 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5815 -12.5810 -12.5809 -12.5802 -10.0265 -10.0227 -10.0187 -10.0169 -10.0127 -10.0122 -7.8928 -7.8888 -6.8987 -6.8971 -6.7379 -6.7370 -6.7162 -6.7154 -2.9621 -2.9619 -1.5466 -1.5448 1.8075 1.8791 1.9009 1.9028 2.0266 2.0437 2.1495 2.1684 2.7775 2.7801 2.8686 2.8704 2.9818 2.9837 4.3465 4.3514 4.5063 4.5152 4.7173 4.7339 4.8452 4.8502 6.5800 7.0127 7.5600 7.5618 7.9654 8.0839 8.4572 8.7297 9.7272 9.8198 k = 0.5000 0.5943 0.0767 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5813 -12.5809 -12.5809 -12.5803 -10.0261 -10.0229 -10.0184 -10.0170 -10.0126 -10.0122 -7.8859 -7.8826 -6.9023 -6.9011 -6.7386 -6.7378 -6.7198 -6.7194 -2.9812 -2.9810 -1.5296 -1.5283 1.8517 1.8900 1.8953 1.9225 2.0300 2.0463 2.1836 2.2007 2.7687 2.7714 2.8401 2.8411 2.9350 2.9363 4.3841 4.3891 4.5122 4.5201 4.6909 4.7084 4.8687 4.8726 6.6185 6.9783 7.5408 7.5410 8.0021 8.0831 8.4162 8.6622 9.7327 9.8156 k = 0.5000 0.5943 0.0576 ( 19616 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5812 -12.5809 -12.5809 -12.5804 -10.0256 -10.0232 -10.0182 -10.0171 -10.0125 -10.0122 -7.8803 -7.8778 -6.9051 -6.9042 -6.7396 -6.7388 -6.7223 -6.7222 -2.9962 -2.9961 -1.5162 -1.5152 1.8756 1.8838 1.9052 1.9498 2.0384 2.0511 2.2130 2.2276 2.7603 2.7631 2.8144 2.8151 2.8951 2.8982 4.4222 4.4273 4.5169 4.5241 4.6603 4.6774 4.8874 4.8903 6.6624 6.9403 7.5247 7.5253 8.0418 8.0867 8.3846 8.5933 9.7402 9.8077 k = 0.5000 0.5943 0.0384 ( 19630 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5811 -12.5809 -12.5808 -12.5805 -10.0252 -10.0235 -10.0180 -10.0173 -10.0124 -10.0122 -7.8761 -7.8744 -6.9071 -6.9065 -6.7405 -6.7399 -6.7238 -6.7238 -3.0070 -3.0069 -1.5065 -1.5058 1.8762 1.8789 1.9314 1.9641 2.0512 2.0578 2.2361 2.2471 2.7518 2.7543 2.7950 2.7957 2.8658 2.8692 4.4601 4.4647 4.5204 4.5278 4.6272 4.6430 4.9011 4.9030 6.7096 6.8986 7.5130 7.5137 8.0773 8.0936 8.3687 8.5255 9.7494 9.7971 k = 0.5000 0.5943 0.0192 ( 19646 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5809 -12.5808 -12.5806 -10.0247 -10.0239 -10.0178 -10.0174 -10.0123 -10.0122 -7.8734 -7.8726 -6.9082 -6.9079 -6.7411 -6.7408 -6.7246 -6.7246 -3.0135 -3.0135 -1.5005 -1.5002 1.8747 1.8758 1.9516 1.9676 2.0627 2.0646 2.2520 2.2580 2.7444 2.7460 2.7844 2.7848 2.8484 2.8505 4.4948 4.4967 4.5238 4.5330 4.5951 4.6082 4.9095 4.9105 6.7582 6.8539 7.5061 7.5066 8.0999 8.1017 8.3764 8.4624 9.7602 9.7848 k = 0.5000 0.5943 0.0000 ( 19640 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5810 -12.5810 -12.5807 -12.5807 -10.0243 -10.0243 -10.0176 -10.0176 -10.0123 -10.0123 -7.8722 -7.8722 -6.9085 -6.9085 -6.7412 -6.7412 -6.7249 -6.7249 -3.0157 -3.0157 -1.4984 -1.4984 1.8744 1.8744 1.9633 1.9633 2.0674 2.0674 2.2595 2.2595 2.7419 2.7419 2.7813 2.7813 2.8433 2.8433 4.5103 4.5103 4.5343 4.5343 4.5826 4.5826 4.9127 4.9127 6.8068 6.8068 7.5040 7.5040 8.1062 8.1062 8.4098 8.4098 9.7722 9.7722 k = 0.0000 0.0000 0.6534 ( 19652 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5818 -12.5818 -10.0305 -10.0305 -10.0263 -10.0263 -10.0123 -10.0123 -8.1660 -8.1660 -6.7530 -6.7530 -6.7045 -6.7045 -6.4619 -6.4619 -2.6577 -2.6577 -1.5082 -1.5082 0.7305 0.7305 1.9528 1.9528 2.1126 2.1126 2.4239 2.4239 2.7473 2.7473 3.0435 3.0435 3.1890 3.1890 3.7147 3.7147 4.0841 4.0841 4.1549 4.1549 4.3854 4.3854 7.4658 7.4658 8.3428 8.3428 8.7701 8.7701 9.3056 9.3056 9.4567 9.4567 k = 0.0119 0.0142 0.6534 ( 19646 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5818 -12.5818 -10.0305 -10.0305 -10.0263 -10.0263 -10.0123 -10.0123 -8.1659 -8.1659 -6.7526 -6.7526 -6.7050 -6.7050 -6.4623 -6.4623 -2.6559 -2.6559 -1.5094 -1.5094 0.7317 0.7317 1.9524 1.9524 2.1077 2.1077 2.4249 2.4249 2.7522 2.7522 3.0436 3.0436 3.1866 3.1866 3.7145 3.7145 4.0858 4.0858 4.1533 4.1533 4.3843 4.3843 7.4664 7.4664 8.3399 8.3399 8.7733 8.7733 9.3046 9.3046 9.4609 9.4609 k = 0.0238 0.0283 0.6534 ( 19640 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5818 -12.5818 -10.0304 -10.0304 -10.0263 -10.0263 -10.0124 -10.0124 -8.1655 -8.1655 -6.7515 -6.7515 -6.7064 -6.7064 -6.4636 -6.4636 -2.6507 -2.6507 -1.5129 -1.5129 0.7352 0.7352 1.9513 1.9513 2.0933 2.0933 2.4282 2.4282 2.7664 2.7664 3.0441 3.0441 3.1795 3.1795 3.7137 3.7137 4.0909 4.0909 4.1484 4.1484 4.3810 4.3810 7.4682 7.4682 8.3317 8.3317 8.7828 8.7828 9.3019 9.3019 9.4736 9.4736 k = 0.0357 0.0425 0.6534 ( 19646 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0304 -10.0304 -10.0262 -10.0262 -10.0124 -10.0124 -8.1649 -8.1649 -6.7495 -6.7495 -6.7086 -6.7086 -6.4657 -6.4657 -2.6420 -2.6420 -1.5188 -1.5188 0.7410 0.7410 1.9488 1.9488 2.0712 2.0712 2.4340 2.4340 2.7882 2.7882 3.0449 3.0449 3.1678 3.1678 3.7125 3.7125 4.0992 4.0992 4.1405 4.1405 4.3755 4.3755 7.4710 7.4710 8.3185 8.3185 8.7980 8.7980 9.2976 9.2976 9.4945 9.4945 k = 0.0476 0.0566 0.6534 ( 19662 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0303 -10.0303 -10.0261 -10.0261 -10.0125 -10.0125 -8.1640 -8.1640 -6.7469 -6.7469 -6.7117 -6.7117 -6.4687 -6.4687 -2.6299 -2.6299 -1.5269 -1.5269 0.7491 0.7491 1.9440 1.9440 2.0441 2.0441 2.4426 2.4426 2.8158 2.8158 3.0460 3.0460 3.1519 3.1519 3.7109 3.7109 4.1104 4.1104 4.1300 4.1300 4.3680 4.3680 7.4745 7.4745 8.3013 8.3013 8.8184 8.8184 9.2921 9.2921 9.5229 9.5229 k = 0.0595 0.0708 0.6534 ( 19678 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0302 -10.0302 -10.0260 -10.0260 -10.0127 -10.0127 -8.1630 -8.1630 -6.7435 -6.7435 -6.7156 -6.7156 -6.4725 -6.4725 -2.6146 -2.6146 -1.5374 -1.5374 0.7595 0.7595 1.9338 1.9338 2.0168 2.0168 2.4539 2.4539 2.8470 2.8470 3.0473 3.0473 3.1321 3.1321 3.7088 3.7088 4.1144 4.1144 4.1272 4.1272 4.3583 4.3583 7.4784 7.4785 8.2809 8.2809 8.8430 8.8430 9.2859 9.2859 9.5583 9.5583 k = 0.0714 0.0849 0.6534 ( 19654 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0301 -10.0301 -10.0258 -10.0258 -10.0128 -10.0128 -8.1618 -8.1618 -6.7394 -6.7394 -6.7201 -6.7201 -6.4771 -6.4771 -2.5962 -2.5962 -1.5502 -1.5502 0.7722 0.7722 1.9130 1.9130 1.9962 1.9962 2.4679 2.4679 2.8802 2.8802 3.0490 3.0490 3.1090 3.1090 3.7064 3.7064 4.0995 4.0995 4.1438 4.1438 4.3467 4.3467 7.4823 7.4823 8.2586 8.2586 8.8701 8.8701 9.2802 9.2802 9.6001 9.6001 k = 0.0833 0.0991 0.6534 ( 19650 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0300 -10.0300 -10.0256 -10.0256 -10.0130 -10.0130 -8.1604 -8.1604 -6.7346 -6.7346 -6.7251 -6.7251 -6.4824 -6.4824 -2.5749 -2.5749 -1.5651 -1.5651 0.7872 0.7872 1.8795 1.8795 1.9853 1.9853 2.4844 2.4844 2.9135 2.9135 3.0508 3.0508 3.0836 3.0836 3.7036 3.7036 4.0819 4.0819 4.1637 4.1637 4.3332 4.3332 7.4856 7.4856 8.2353 8.2353 8.8977 8.8977 9.2768 9.2768 9.6476 9.6476 k = 0.0952 0.1132 0.6534 ( 19654 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0299 -10.0299 -10.0253 -10.0253 -10.0132 -10.0132 -8.1589 -8.1589 -6.7315 -6.7315 -6.7282 -6.7282 -6.4885 -6.4885 -2.5509 -2.5509 -1.5822 -1.5822 0.8043 0.8043 1.8377 1.8377 1.9812 1.9812 2.5031 2.5031 2.9449 2.9449 3.0525 3.0525 3.0578 3.0578 3.7006 3.7006 4.0631 4.0631 4.1857 4.1857 4.3180 4.3180 7.4879 7.4879 8.2124 8.2124 8.9225 8.9225 9.2784 9.2784 9.7001 9.7001 k = 0.1071 0.1274 0.6534 ( 19644 PWs) bands (ev): -39.6476 -39.6476 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0298 -10.0298 -10.0250 -10.0250 -10.0135 -10.0135 -8.1572 -8.1572 -6.7368 -6.7368 -6.7226 -6.7226 -6.4953 -6.4953 -2.5245 -2.5245 -1.6013 -1.6013 0.8237 0.8237 1.7915 1.7915 1.9806 1.9806 2.5236 2.5236 2.9689 2.9689 3.0356 3.0356 3.0551 3.0551 3.6973 3.6973 4.0435 4.0435 4.2091 4.2091 4.3013 4.3013 7.4887 7.4887 8.1909 8.1909 8.9407 8.9407 9.2882 9.2882 9.7569 9.7569 k = 0.1190 0.1415 0.6534 ( 19638 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0297 -10.0297 -10.0247 -10.0247 -10.0138 -10.0138 -8.1555 -8.1555 -6.7429 -6.7429 -6.7159 -6.7159 -6.5027 -6.5027 -2.4959 -2.4959 -1.6224 -1.6224 0.8453 0.8453 1.7430 1.7430 1.9821 1.9821 2.5453 2.5453 2.9697 2.9697 3.0341 3.0341 3.0574 3.0574 3.6939 3.6939 4.0241 4.0241 4.2327 4.2327 4.2842 4.2842 7.4874 7.4874 8.1721 8.1721 8.9490 8.9490 9.3091 9.3091 9.8176 9.8176 k = 0.1310 0.1557 0.6534 ( 19658 PWs) bands (ev): -39.6475 -39.6475 -39.6473 -39.6473 -12.5827 -12.5827 -12.5817 -12.5817 -10.0296 -10.0296 -10.0243 -10.0243 -10.0141 -10.0141 -8.1538 -8.1538 -6.7490 -6.7490 -6.7085 -6.7085 -6.5107 -6.5107 -2.4654 -2.4654 -1.6453 -1.6453 0.8690 0.8690 1.6932 1.6932 1.9850 1.9850 2.5675 2.5675 2.9489 2.9489 3.0511 3.0511 3.0603 3.0603 3.6905 3.6905 4.0057 4.0057 4.2478 4.2478 4.2747 4.2747 7.4837 7.4837 8.1568 8.1568 8.9463 8.9463 9.3418 9.3418 9.8815 9.8815 k = 0.1429 0.1698 0.6534 ( 19664 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5817 -12.5817 -10.0296 -10.0296 -10.0238 -10.0238 -10.0144 -10.0144 -8.1521 -8.1521 -6.7550 -6.7550 -6.7006 -6.7006 -6.5192 -6.5192 -2.4334 -2.4334 -1.6698 -1.6698 0.8947 0.8947 1.6429 1.6429 1.9893 1.9893 2.5890 2.5890 2.9243 2.9243 3.0610 3.0610 3.0723 3.0723 3.6871 3.6871 3.9893 3.9893 4.2349 4.2349 4.2921 4.2921 7.4776 7.4776 8.1459 8.1459 8.9337 8.9337 9.3844 9.3844 9.9481 9.9481 k = 0.1548 0.1840 0.6534 ( 19684 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5817 -12.5817 -10.0295 -10.0295 -10.0234 -10.0234 -10.0147 -10.0147 -8.1504 -8.1504 -6.7609 -6.7609 -6.6921 -6.6921 -6.5283 -6.5283 -2.4004 -2.4004 -1.6957 -1.6957 0.9226 0.9226 1.5924 1.5924 1.9944 1.9944 2.6083 2.6083 2.9024 2.9025 3.0636 3.0636 3.0881 3.0881 3.6837 3.6837 3.9756 3.9756 4.2136 4.2136 4.3162 4.3162 7.4691 7.4691 8.1396 8.1396 8.9139 8.9139 9.4339 9.4339 10.0169 10.0169 k = 0.1667 0.1981 0.6534 ( 19672 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0295 -10.0295 -10.0229 -10.0229 -10.0151 -10.0151 -8.1488 -8.1488 -6.7664 -6.7664 -6.6832 -6.6832 -6.5377 -6.5377 -2.3668 -2.3668 -1.7225 -1.7225 0.9524 0.9524 1.5421 1.5421 2.0004 2.0004 2.6233 2.6233 2.8869 2.8869 3.0658 3.0658 3.0991 3.0991 3.6806 3.6806 3.9657 3.9657 4.1903 4.1903 4.3402 4.3402 7.4587 7.4587 8.1379 8.1379 8.8894 8.8894 9.4872 9.4872 10.0874 10.0874 k = 0.1786 0.2123 0.6534 ( 19662 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0294 -10.0294 -10.0224 -10.0224 -10.0155 -10.0155 -8.1474 -8.1474 -6.7714 -6.7714 -6.6739 -6.6739 -6.5476 -6.5476 -2.3333 -2.3333 -1.7499 -1.7499 0.9842 0.9842 1.4922 1.4922 2.0068 2.0068 2.6319 2.6319 2.8804 2.8804 3.0677 3.0677 3.1044 3.1044 3.6777 3.6777 3.9601 3.9601 4.1660 4.1660 4.3628 4.3628 7.4471 7.4471 8.1402 8.1402 8.8626 8.8626 9.5413 9.5413 10.1589 10.1589 k = 0.1905 0.2264 0.6534 ( 19662 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0294 -10.0294 -10.0219 -10.0219 -10.0159 -10.0159 -8.1461 -8.1461 -6.7759 -6.7759 -6.6642 -6.6642 -6.5578 -6.5578 -2.3006 -2.3006 -1.7772 -1.7772 1.0179 1.0179 1.4430 1.4430 2.0134 2.0134 2.6335 2.6335 2.8841 2.8842 3.0694 3.0694 3.1036 3.1036 3.6750 3.6751 3.9593 3.9593 4.1411 4.1411 4.3832 4.3832 7.4352 7.4352 8.1458 8.1458 8.8354 8.8354 9.5937 9.5937 10.2309 10.2309 k = 0.2024 0.2406 0.6534 ( 19646 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0294 -10.0294 -10.0215 -10.0215 -10.0162 -10.0162 -8.1450 -8.1450 -6.7797 -6.7797 -6.6541 -6.6541 -6.5682 -6.5682 -2.2697 -2.2697 -1.8035 -1.8035 1.0534 1.0534 1.3947 1.3947 2.0197 2.0197 2.6294 2.6294 2.8968 2.8969 3.0706 3.0706 3.0973 3.0973 3.6728 3.6728 3.9633 3.9633 4.1160 4.1160 4.4007 4.4007 7.4238 7.4238 8.1534 8.1534 8.8097 8.8097 9.6419 9.6419 10.3024 10.3024 k = 0.2143 0.2547 0.6534 ( 19642 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0294 -10.0294 -10.0210 -10.0210 -10.0166 -10.0166 -8.1441 -8.1441 -6.7828 -6.7828 -6.6438 -6.6438 -6.5788 -6.5788 -2.2421 -2.2421 -1.8274 -1.8274 1.0907 1.0907 1.3473 1.3473 2.0253 2.0253 2.6224 2.6224 2.9155 2.9156 3.0708 3.0708 3.0868 3.0868 3.6710 3.6710 3.9721 3.9721 4.0910 4.0910 4.4150 4.4150 7.4138 7.4138 8.1615 8.1615 8.7873 8.7873 9.6833 9.6833 10.3722 10.3722 k = 0.2262 0.2689 0.6534 ( 19662 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0293 -10.0293 -10.0206 -10.0206 -10.0170 -10.0170 -8.1434 -8.1434 -6.7850 -6.7850 -6.6334 -6.6334 -6.5894 -6.5894 -2.2197 -2.2197 -1.8471 -1.8471 1.1297 1.1297 1.3011 1.3011 2.0297 2.0297 2.6154 2.6154 2.9365 2.9365 3.0661 3.0661 3.0778 3.0778 3.6697 3.6697 3.9850 3.9850 4.0667 4.0667 4.4254 4.4254 7.4061 7.4062 8.1688 8.1688 8.7697 8.7697 9.7154 9.7154 10.4378 10.4378 k = 0.2381 0.2830 0.6534 ( 19670 PWs) bands (ev): -39.6475 -39.6475 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0293 -10.0293 -10.0204 -10.0204 -10.0172 -10.0172 -8.1430 -8.1430 -6.7863 -6.7863 -6.6230 -6.6229 -6.6000 -6.6000 -2.2048 -2.2048 -1.8603 -1.8603 1.1703 1.1703 1.2561 1.2561 2.0325 2.0325 2.6103 2.6104 2.9549 2.9549 3.0544 3.0544 3.0760 3.0760 3.6689 3.6689 4.0013 4.0013 4.0436 4.0436 4.4319 4.4319 7.4013 7.4013 8.1738 8.1738 8.7585 8.7585 9.7359 9.7359 10.4940 10.4940 k = 0.2500 0.2972 0.6534 ( 19660 PWs) bands (ev): -39.6474 -39.6474 -39.6474 -39.6474 -12.5827 -12.5827 -12.5816 -12.5816 -10.0293 -10.0293 -10.0203 -10.0203 -10.0173 -10.0173 -8.1429 -8.1429 -6.7868 -6.7868 -6.6151 -6.6151 -6.6079 -6.6079 -2.1996 -2.1996 -1.8651 -1.8651 1.2110 1.2110 1.2140 1.2140 2.0335 2.0335 2.6085 2.6086 2.9629 2.9629 3.0482 3.0482 3.0758 3.0758 3.6687 3.6687 4.0166 4.0166 4.0260 4.0260 4.4340 4.4340 7.3996 7.3996 8.1756 8.1756 8.7547 8.7547 9.7430 9.7430 10.5252 10.5253 Writing output data file Li2GePbS4.save init_run : 1.64s CPU 1.12s WALL ( 1 calls) electrons : 671.76s CPU 515.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 671.76s CPU 515.20s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.52s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.84s CPU 0.76s WALL ( 285 calls) cegterg : 534.65s CPU 433.43s WALL ( 341 calls) Called by sum_band: Called by *egterg: h_psi : 488.24s CPU 341.70s WALL ( 6167 calls) s_psi : 20.80s CPU 18.11s WALL ( 6167 calls) g_psi : 1.06s CPU 1.03s WALL ( 5541 calls) cdiaghg : 66.43s CPU 65.73s WALL ( 5826 calls) cegterg:over : 24.77s CPU 24.67s WALL ( 5541 calls) cegterg:upda : 24.98s CPU 25.33s WALL ( 5541 calls) cegterg:last : 11.49s CPU 11.46s WALL ( 911 calls) cdiaghg:chol : 4.00s CPU 3.80s WALL ( 5826 calls) cdiaghg:inve : 2.66s CPU 2.65s WALL ( 5826 calls) cdiaghg:para : 4.04s CPU 4.32s WALL ( 11652 calls) Called by h_psi: h_psi:vloc : 441.74s CPU 301.20s WALL ( 6167 calls) h_psi:vnl : 45.21s CPU 39.32s WALL ( 6167 calls) add_vuspsi : 23.21s CPU 19.98s WALL ( 6167 calls) General routines calbec : 21.94s CPU 19.31s WALL ( 6167 calls) fft : 0.07s CPU 0.05s WALL ( 15 calls) fftw : 421.78s CPU 283.73s WALL ( 750004 calls) davcio : 0.54s CPU 6.64s WALL ( 570 calls) Parallel routines fft_scatter : 106.02s CPU 91.49s WALL ( 750019 calls) PWSCF : 12m24.80s CPU 10m15.57s WALL This run was terminated on: 4:13:55 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=