Program PWSCF v.5.4.0 starts on 28Mar2017 at 23:17:48 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 100 41 11 5634 1481 216 Max 101 42 12 5640 1513 222 Sum 7251 2997 823 405851 107835 15691 bravais-lattice index = 14 lattice parameter (alat) = 15.4599 a.u. unit-cell volume = 2832.3804 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.459870 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.298539 celldm(5)= -0.298539 celldm(6)= -0.402922 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.402922 0.915234 0.000000 ) a(3) = ( -0.298539 -0.457617 0.837533 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.440239 0.596992 ) b(2) = ( 0.000000 1.092616 0.596992 ) b(3) = ( 0.000000 0.000000 1.193983 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 ) f =( -0.2500000 ) ( 0 1 0 ) ( 0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4187664 ) 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0000000 0.0000000 0.0259562), wk = 0.0047619 k( 3) = ( 0.0000000 0.0000000 0.0519123), wk = 0.0047619 k( 4) = ( 0.0000000 0.0000000 0.0778685), wk = 0.0047619 k( 5) = ( 0.0000000 0.0000000 0.1038246), wk = 0.0047619 k( 6) = ( 0.0000000 0.0000000 0.1297808), wk = 0.0047619 k( 7) = ( 0.0000000 0.0000000 0.1557369), wk = 0.0047619 k( 8) = ( 0.0000000 0.0000000 0.1816931), wk = 0.0047619 k( 9) = ( 0.0000000 0.0000000 0.2076493), wk = 0.0047619 k( 10) = ( 0.0000000 0.0000000 0.2336054), wk = 0.0047619 k( 11) = ( 0.0000000 0.0000000 0.2595616), wk = 0.0047619 k( 12) = ( 0.0000000 0.0000000 0.2855177), wk = 0.0047619 k( 13) = ( 0.0000000 0.0000000 0.3114739), wk = 0.0047619 k( 14) = ( 0.0000000 0.0000000 0.3374300), wk = 0.0047619 k( 15) = ( 0.0000000 0.0000000 0.3633862), wk = 0.0047619 k( 16) = ( 0.0000000 0.0000000 0.3893424), wk = 0.0047619 k( 17) = ( 0.0000000 0.0000000 0.4152985), wk = 0.0047619 k( 18) = ( 0.0000000 0.0000000 0.4412547), wk = 0.0047619 k( 19) = ( 0.0000000 0.0000000 0.4672108), wk = 0.0047619 k( 20) = ( 0.0000000 0.0000000 0.4931670), wk = 0.0047619 k( 21) = ( 0.0000000 0.0000000 0.5191231), wk = 0.0047619 k( 22) = ( 0.0000000 0.0000000 0.5450793), wk = 0.0047619 k( 23) = ( 0.0000000 0.0000000 0.5710355), wk = 0.0047619 k( 24) = ( 0.0000000 0.0000000 0.5969916), wk = 0.0047619 k( 25) = ( 0.0000000 0.0000000 0.5969916), wk = 0.0047619 k( 26) = ( -0.0217391 0.0141821 0.5969916), wk = 0.0047619 k( 27) = ( -0.0434783 0.0283642 0.5969916), wk = 0.0047619 k( 28) = ( -0.0652174 0.0425463 0.5969916), wk = 0.0047619 k( 29) = ( -0.0869565 0.0567284 0.5969916), wk = 0.0047619 k( 30) = ( -0.1086957 0.0709106 0.5969916), wk = 0.0047619 k( 31) = ( -0.1304348 0.0850927 0.5969916), wk = 0.0047619 k( 32) = ( -0.1521739 0.0992748 0.5969916), wk = 0.0047619 k( 33) = ( -0.1739130 0.1134569 0.5969916), wk = 0.0047619 k( 34) = ( -0.1956522 0.1276390 0.5969916), wk = 0.0047619 k( 35) = ( -0.2173913 0.1418211 0.5969916), wk = 0.0047619 k( 36) = ( -0.2391304 0.1560032 0.5969916), wk = 0.0047619 k( 37) = ( -0.2608696 0.1701853 0.5969916), wk = 0.0047619 k( 38) = ( -0.2826087 0.1843675 0.5969916), wk = 0.0047619 k( 39) = ( -0.3043478 0.1985496 0.5969916), wk = 0.0047619 k( 40) = ( -0.3260870 0.2127317 0.5969916), wk = 0.0047619 k( 41) = ( -0.3478261 0.2269138 0.5969916), wk = 0.0047619 k( 42) = ( -0.3695652 0.2410959 0.5969916), wk = 0.0047619 k( 43) = ( -0.3913044 0.2552780 0.5969916), wk = 0.0047619 k( 44) = ( -0.4130435 0.2694601 0.5969916), wk = 0.0047619 k( 45) = ( -0.4347826 0.2836422 0.5969916), wk = 0.0047619 k( 46) = ( -0.4565217 0.2978244 0.5969916), wk = 0.0047619 k( 47) = ( -0.4782609 0.3120065 0.5969916), wk = 0.0047619 k( 48) = ( -0.5000000 0.3261886 0.5969916), wk = 0.0047619 k( 49) = ( -0.5000000 0.3261886 0.5969916), wk = 0.0047619 k( 50) = ( -0.4848485 0.3163041 0.5789010), wk = 0.0047619 k( 51) = ( -0.4696970 0.3064196 0.5608103), wk = 0.0047619 k( 52) = ( -0.4545455 0.2965351 0.5427196), wk = 0.0047619 k( 53) = ( -0.4393939 0.2866506 0.5246290), wk = 0.0047619 k( 54) = ( -0.4242424 0.2767661 0.5065383), wk = 0.0047619 k( 55) = ( -0.4090909 0.2668816 0.4884477), wk = 0.0047619 k( 56) = ( -0.3939394 0.2569971 0.4703570), wk = 0.0047619 k( 57) = ( -0.3787879 0.2471126 0.4522664), wk = 0.0047619 k( 58) = ( -0.3636364 0.2372281 0.4341757), wk = 0.0047619 k( 59) = ( -0.3484849 0.2273436 0.4160851), wk = 0.0047619 k( 60) = ( -0.3333333 0.2174590 0.3979944), wk = 0.0047619 k( 61) = ( -0.3181818 0.2075746 0.3799038), wk = 0.0047619 k( 62) = ( -0.3030303 0.1976900 0.3618131), wk = 0.0047619 k( 63) = ( -0.2878788 0.1878055 0.3437224), wk = 0.0047619 k( 64) = ( -0.2727273 0.1779210 0.3256318), wk = 0.0047619 k( 65) = ( -0.2575758 0.1680365 0.3075411), wk = 0.0047619 k( 66) = ( -0.2424242 0.1581520 0.2894505), wk = 0.0047619 k( 67) = ( -0.2272727 0.1482675 0.2713598), wk = 0.0047619 k( 68) = ( -0.2121212 0.1383830 0.2532692), wk = 0.0047619 k( 69) = ( -0.1969697 0.1284985 0.2351785), wk = 0.0047619 k( 70) = ( -0.1818182 0.1186140 0.2170879), wk = 0.0047619 k( 71) = ( -0.1666667 0.1087295 0.1989972), wk = 0.0047619 k( 72) = ( -0.1515151 0.0988450 0.1809065), wk = 0.0047619 k( 73) = ( -0.1363636 0.0889605 0.1628159), wk = 0.0047619 k( 74) = ( -0.1212121 0.0790760 0.1447252), wk = 0.0047619 k( 75) = ( -0.1060606 0.0691915 0.1266346), wk = 0.0047619 k( 76) = ( -0.0909091 0.0593070 0.1085439), wk = 0.0047619 k( 77) = ( -0.0757576 0.0494225 0.0904533), wk = 0.0047619 k( 78) = ( -0.0606061 0.0395380 0.0723626), wk = 0.0047619 k( 79) = ( -0.0454546 0.0296535 0.0542720), wk = 0.0047619 k( 80) = ( -0.0303030 0.0197690 0.0361813), wk = 0.0047619 k( 81) = ( -0.0151515 0.0098845 0.0180907), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 84) = ( 0.0140242 0.0214970 -0.0000000), wk = 0.0047619 k( 85) = ( 0.0280484 0.0429941 -0.0000000), wk = 0.0047619 k( 86) = ( 0.0420725 0.0644911 -0.0000000), wk = 0.0047619 k( 87) = ( 0.0560967 0.0859882 -0.0000000), wk = 0.0047619 k( 88) = ( 0.0701209 0.1074852 -0.0000000), wk = 0.0047619 k( 89) = ( 0.0841451 0.1289823 -0.0000000), wk = 0.0047619 k( 90) = ( 0.0981693 0.1504793 -0.0000000), wk = 0.0047619 k( 91) = ( 0.1121935 0.1719764 -0.0000000), wk = 0.0047619 k( 92) = ( 0.1262176 0.1934734 -0.0000000), wk = 0.0047619 k( 93) = ( 0.1402418 0.2149704 -0.0000000), wk = 0.0047619 k( 94) = ( 0.1542660 0.2364675 -0.0000000), wk = 0.0047619 k( 95) = ( 0.1682902 0.2579645 -0.0000000), wk = 0.0047619 k( 96) = ( 0.1823143 0.2794616 -0.0000000), wk = 0.0047619 k( 97) = ( 0.1963385 0.3009586 -0.0000000), wk = 0.0047619 k( 98) = ( 0.2103627 0.3224557 -0.0000000), wk = 0.0047619 k( 99) = ( 0.2243869 0.3439527 -0.0000000), wk = 0.0047619 k( 100) = ( 0.2384111 0.3654498 -0.0000000), wk = 0.0047619 k( 101) = ( 0.2524353 0.3869468 -0.0000000), wk = 0.0047619 k( 102) = ( 0.2664594 0.4084439 -0.0000000), wk = 0.0047619 k( 103) = ( 0.2804836 0.4299409 -0.0000000), wk = 0.0047619 k( 104) = ( 0.2945078 0.4514379 -0.0000000), wk = 0.0047619 k( 105) = ( 0.3085320 0.4729350 -0.0000000), wk = 0.0047619 k( 106) = ( 0.3225562 0.4944320 -0.0000000), wk = 0.0047619 k( 107) = ( 0.3365803 0.5159291 -0.0000000), wk = 0.0047619 k( 108) = ( 0.3506045 0.5374261 -0.0000000), wk = 0.0047619 k( 109) = ( 0.3646287 0.5589232 -0.0000000), wk = 0.0047619 k( 110) = ( 0.3786529 0.5804202 -0.0000000), wk = 0.0047619 k( 111) = ( 0.3926771 0.6019173 -0.0000000), wk = 0.0047619 k( 112) = ( 0.4067013 0.6234143 -0.0000000), wk = 0.0047619 k( 113) = ( 0.4207254 0.6449113 -0.0000000), wk = 0.0047619 k( 114) = ( 0.4347496 0.6664084 -0.0000000), wk = 0.0047619 k( 115) = ( 0.4487738 0.6879054 -0.0000000), wk = 0.0047619 k( 116) = ( 0.4627980 0.7094025 -0.0000000), wk = 0.0047619 k( 117) = ( 0.4627980 0.7094025 -0.0000000), wk = 0.0047619 k( 118) = ( 0.4551981 0.6977529 0.0213211), wk = 0.0047619 k( 119) = ( 0.4475981 0.6861033 0.0426423), wk = 0.0047619 k( 120) = ( 0.4399982 0.6744537 0.0639634), wk = 0.0047619 k( 121) = ( 0.4323983 0.6628041 0.0852845), wk = 0.0047619 k( 122) = ( 0.4247983 0.6511545 0.1066057), wk = 0.0047619 k( 123) = ( 0.4171984 0.6395049 0.1279268), wk = 0.0047619 k( 124) = ( 0.4095985 0.6278553 0.1492479), wk = 0.0047619 k( 125) = ( 0.4019986 0.6162057 0.1705690), wk = 0.0047619 k( 126) = ( 0.3943986 0.6045562 0.1918902), wk = 0.0047619 k( 127) = ( 0.3867987 0.5929066 0.2132113), wk = 0.0047619 k( 128) = ( 0.3791988 0.5812570 0.2345324), wk = 0.0047619 k( 129) = ( 0.3715988 0.5696074 0.2558535), wk = 0.0047619 k( 130) = ( 0.3639989 0.5579578 0.2771747), wk = 0.0047619 k( 131) = ( 0.3563990 0.5463082 0.2984958), wk = 0.0047619 k( 132) = ( 0.3487991 0.5346586 0.3198169), wk = 0.0047619 k( 133) = ( 0.3411991 0.5230090 0.3411381), wk = 0.0047619 k( 134) = ( 0.3335992 0.5113594 0.3624592), wk = 0.0047619 k( 135) = ( 0.3259993 0.4997098 0.3837803), wk = 0.0047619 k( 136) = ( 0.3183994 0.4880602 0.4051014), wk = 0.0047619 k( 137) = ( 0.3107994 0.4764106 0.4264226), wk = 0.0047619 k( 138) = ( 0.3031995 0.4647610 0.4477437), wk = 0.0047619 k( 139) = ( 0.2955996 0.4531115 0.4690648), wk = 0.0047619 k( 140) = ( 0.2879996 0.4414619 0.4903860), wk = 0.0047619 k( 141) = ( 0.2803997 0.4298123 0.5117071), wk = 0.0047619 k( 142) = ( 0.2727998 0.4181627 0.5330282), wk = 0.0047619 k( 143) = ( 0.2651999 0.4065131 0.5543494), wk = 0.0047619 k( 144) = ( 0.2575999 0.3948635 0.5756705), wk = 0.0047619 k( 145) = ( 0.2500000 0.3832139 0.5969916), wk = 0.0047619 k( 146) = ( 0.2500000 0.3832139 0.5969916), wk = 0.0047619 k( 147) = ( 0.2352941 0.3928077 0.5794330), wk = 0.0047619 k( 148) = ( 0.2205882 0.4024015 0.5618745), wk = 0.0047619 k( 149) = ( 0.2058823 0.4119953 0.5443159), wk = 0.0047619 k( 150) = ( 0.1911765 0.4215890 0.5267573), wk = 0.0047619 k( 151) = ( 0.1764706 0.4311828 0.5091987), wk = 0.0047619 k( 152) = ( 0.1617647 0.4407766 0.4916402), wk = 0.0047619 k( 153) = ( 0.1470588 0.4503704 0.4740816), wk = 0.0047619 k( 154) = ( 0.1323529 0.4599642 0.4565230), wk = 0.0047619 k( 155) = ( 0.1176471 0.4695579 0.4389644), wk = 0.0047619 k( 156) = ( 0.1029412 0.4791517 0.4214058), wk = 0.0047619 k( 157) = ( 0.0882353 0.4887455 0.4038473), wk = 0.0047619 k( 158) = ( 0.0735294 0.4983393 0.3862887), wk = 0.0047619 k( 159) = ( 0.0588235 0.5079331 0.3687301), wk = 0.0047619 k( 160) = ( 0.0441177 0.5175269 0.3511715), wk = 0.0047619 k( 161) = ( 0.0294118 0.5271206 0.3336130), wk = 0.0047619 k( 162) = ( 0.0147059 0.5367144 0.3160544), wk = 0.0047619 k( 163) = ( 0.0000000 0.5463082 0.2984958), wk = 0.0047619 k( 164) = ( 0.0000000 0.5463082 0.2984958), wk = 0.0047619 k( 165) = ( -0.0201217 0.5392171 0.3114739), wk = 0.0047619 k( 166) = ( -0.0402433 0.5321261 0.3244520), wk = 0.0047619 k( 167) = ( -0.0603650 0.5250350 0.3374300), wk = 0.0047619 k( 168) = ( -0.0804866 0.5179440 0.3504081), wk = 0.0047619 k( 169) = ( -0.1006083 0.5108529 0.3633862), wk = 0.0047619 k( 170) = ( -0.1207299 0.5037619 0.3763643), wk = 0.0047619 k( 171) = ( -0.1408516 0.4966708 0.3893424), wk = 0.0047619 k( 172) = ( -0.1609732 0.4895797 0.4023204), wk = 0.0047619 k( 173) = ( -0.1810949 0.4824887 0.4152985), wk = 0.0047619 k( 174) = ( -0.2012165 0.4753976 0.4282766), wk = 0.0047619 k( 175) = ( -0.2213382 0.4683066 0.4412547), wk = 0.0047619 k( 176) = ( -0.2414598 0.4612155 0.4542327), wk = 0.0047619 k( 177) = ( -0.2615815 0.4541245 0.4672108), wk = 0.0047619 k( 178) = ( -0.2817031 0.4470334 0.4801889), wk = 0.0047619 k( 179) = ( -0.3018248 0.4399424 0.4931670), wk = 0.0047619 k( 180) = ( -0.3219464 0.4328513 0.5061451), wk = 0.0047619 k( 181) = ( -0.3420681 0.4257602 0.5191231), wk = 0.0047619 k( 182) = ( -0.3621897 0.4186692 0.5321012), wk = 0.0047619 k( 183) = ( -0.3823114 0.4115781 0.5450793), wk = 0.0047619 k( 184) = ( -0.4024330 0.4044871 0.5580574), wk = 0.0047619 k( 185) = ( -0.4225547 0.3973960 0.5710355), wk = 0.0047619 k( 186) = ( -0.4426763 0.3903050 0.5840135), wk = 0.0047619 k( 187) = ( -0.4627980 0.3832139 0.5969916), wk = 0.0047619 k( 188) = ( -0.4627980 0.3832139 0.5969916), wk = 0.0047619 k( 189) = ( -0.4751987 0.3642055 0.5969916), wk = 0.0047619 k( 190) = ( -0.4875993 0.3451970 0.5969916), wk = 0.0047619 k( 191) = ( -0.5000000 0.3261886 0.5969916), wk = 0.0047619 k( 192) = ( 0.0000000 0.0000000 0.5969916), wk = 0.0047619 k( 193) = ( 0.0138889 0.0212897 0.5969916), wk = 0.0047619 k( 194) = ( 0.0277778 0.0425793 0.5969916), wk = 0.0047619 k( 195) = ( 0.0416667 0.0638690 0.5969916), wk = 0.0047619 k( 196) = ( 0.0555556 0.0851587 0.5969916), wk = 0.0047619 k( 197) = ( 0.0694444 0.1064483 0.5969916), wk = 0.0047619 k( 198) = ( 0.0833333 0.1277380 0.5969916), wk = 0.0047619 k( 199) = ( 0.0972222 0.1490276 0.5969916), wk = 0.0047619 k( 200) = ( 0.1111111 0.1703173 0.5969916), wk = 0.0047619 k( 201) = ( 0.1250000 0.1916070 0.5969916), wk = 0.0047619 k( 202) = ( 0.1388889 0.2128966 0.5969916), wk = 0.0047619 k( 203) = ( 0.1527778 0.2341863 0.5969916), wk = 0.0047619 k( 204) = ( 0.1666667 0.2554759 0.5969916), wk = 0.0047619 k( 205) = ( 0.1805556 0.2767656 0.5969916), wk = 0.0047619 k( 206) = ( 0.1944444 0.2980553 0.5969916), wk = 0.0047619 k( 207) = ( 0.2083333 0.3193449 0.5969916), wk = 0.0047619 k( 208) = ( 0.2222222 0.3406346 0.5969916), wk = 0.0047619 k( 209) = ( 0.2361111 0.3619242 0.5969916), wk = 0.0047619 k( 210) = ( 0.2500000 0.3832139 0.5969916), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0047619 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0047619 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0047619 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0047619 k( 6) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0047619 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0047619 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0047619 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0047619 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0047619 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0047619 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0047619 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0047619 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0047619 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0047619 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0047619 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0047619 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0047619 k( 19) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0047619 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0047619 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0047619 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0047619 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0047619 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 26) = ( -0.0217391 0.0217391 0.5000000), wk = 0.0047619 k( 27) = ( -0.0434783 0.0434783 0.5000000), wk = 0.0047619 k( 28) = ( -0.0652174 0.0652174 0.5000000), wk = 0.0047619 k( 29) = ( -0.0869565 0.0869565 0.5000000), wk = 0.0047619 k( 30) = ( -0.1086957 0.1086957 0.5000000), wk = 0.0047619 k( 31) = ( -0.1304348 0.1304348 0.5000000), wk = 0.0047619 k( 32) = ( -0.1521739 0.1521739 0.5000000), wk = 0.0047619 k( 33) = ( -0.1739130 0.1739130 0.5000000), wk = 0.0047619 k( 34) = ( -0.1956522 0.1956522 0.5000000), wk = 0.0047619 k( 35) = ( -0.2173913 0.2173913 0.5000000), wk = 0.0047619 k( 36) = ( -0.2391304 0.2391304 0.5000000), wk = 0.0047619 k( 37) = ( -0.2608696 0.2608696 0.5000000), wk = 0.0047619 k( 38) = ( -0.2826087 0.2826087 0.5000000), wk = 0.0047619 k( 39) = ( -0.3043478 0.3043478 0.5000000), wk = 0.0047619 k( 40) = ( -0.3260870 0.3260870 0.5000000), wk = 0.0047619 k( 41) = ( -0.3478261 0.3478261 0.5000000), wk = 0.0047619 k( 42) = ( -0.3695652 0.3695652 0.5000000), wk = 0.0047619 k( 43) = ( -0.3913044 0.3913044 0.5000000), wk = 0.0047619 k( 44) = ( -0.4130435 0.4130435 0.5000000), wk = 0.0047619 k( 45) = ( -0.4347826 0.4347826 0.5000000), wk = 0.0047619 k( 46) = ( -0.4565217 0.4565217 0.5000000), wk = 0.0047619 k( 47) = ( -0.4782609 0.4782609 0.5000000), wk = 0.0047619 k( 48) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 49) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 50) = ( -0.4848485 0.4848485 0.4848485), wk = 0.0047619 k( 51) = ( -0.4696970 0.4696970 0.4696970), wk = 0.0047619 k( 52) = ( -0.4545455 0.4545454 0.4545454), wk = 0.0047619 k( 53) = ( -0.4393939 0.4393939 0.4393939), wk = 0.0047619 k( 54) = ( -0.4242424 0.4242424 0.4242424), wk = 0.0047619 k( 55) = ( -0.4090909 0.4090909 0.4090909), wk = 0.0047619 k( 56) = ( -0.3939394 0.3939394 0.3939394), wk = 0.0047619 k( 57) = ( -0.3787879 0.3787879 0.3787879), wk = 0.0047619 k( 58) = ( -0.3636364 0.3636364 0.3636364), wk = 0.0047619 k( 59) = ( -0.3484849 0.3484849 0.3484848), wk = 0.0047619 k( 60) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 61) = ( -0.3181818 0.3181818 0.3181818), wk = 0.0047619 k( 62) = ( -0.3030303 0.3030303 0.3030303), wk = 0.0047619 k( 63) = ( -0.2878788 0.2878788 0.2878788), wk = 0.0047619 k( 64) = ( -0.2727273 0.2727273 0.2727273), wk = 0.0047619 k( 65) = ( -0.2575758 0.2575758 0.2575758), wk = 0.0047619 k( 66) = ( -0.2424242 0.2424242 0.2424242), wk = 0.0047619 k( 67) = ( -0.2272727 0.2272727 0.2272727), wk = 0.0047619 k( 68) = ( -0.2121212 0.2121212 0.2121212), wk = 0.0047619 k( 69) = ( -0.1969697 0.1969697 0.1969697), wk = 0.0047619 k( 70) = ( -0.1818182 0.1818182 0.1818182), wk = 0.0047619 k( 71) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 72) = ( -0.1515151 0.1515151 0.1515151), wk = 0.0047619 k( 73) = ( -0.1363636 0.1363636 0.1363636), wk = 0.0047619 k( 74) = ( -0.1212121 0.1212121 0.1212121), wk = 0.0047619 k( 75) = ( -0.1060606 0.1060606 0.1060606), wk = 0.0047619 k( 76) = ( -0.0909091 0.0909091 0.0909091), wk = 0.0047619 k( 77) = ( -0.0757576 0.0757576 0.0757576), wk = 0.0047619 k( 78) = ( -0.0606061 0.0606061 0.0606061), wk = 0.0047619 k( 79) = ( -0.0454546 0.0454546 0.0454545), wk = 0.0047619 k( 80) = ( -0.0303030 0.0303030 0.0303030), wk = 0.0047619 k( 81) = ( -0.0151515 0.0151515 0.0151515), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 84) = ( 0.0140242 0.0140242 -0.0140242), wk = 0.0047619 k( 85) = ( 0.0280484 0.0280484 -0.0280484), wk = 0.0047619 k( 86) = ( 0.0420725 0.0420725 -0.0420725), wk = 0.0047619 k( 87) = ( 0.0560967 0.0560967 -0.0560967), wk = 0.0047619 k( 88) = ( 0.0701209 0.0701209 -0.0701209), wk = 0.0047619 k( 89) = ( 0.0841451 0.0841451 -0.0841451), wk = 0.0047619 k( 90) = ( 0.0981693 0.0981693 -0.0981693), wk = 0.0047619 k( 91) = ( 0.1121935 0.1121935 -0.1121934), wk = 0.0047619 k( 92) = ( 0.1262176 0.1262176 -0.1262176), wk = 0.0047619 k( 93) = ( 0.1402418 0.1402418 -0.1402418), wk = 0.0047619 k( 94) = ( 0.1542660 0.1542660 -0.1542660), wk = 0.0047619 k( 95) = ( 0.1682902 0.1682902 -0.1682902), wk = 0.0047619 k( 96) = ( 0.1823143 0.1823143 -0.1823143), wk = 0.0047619 k( 97) = ( 0.1963385 0.1963385 -0.1963385), wk = 0.0047619 k( 98) = ( 0.2103627 0.2103627 -0.2103627), wk = 0.0047619 k( 99) = ( 0.2243869 0.2243869 -0.2243869), wk = 0.0047619 k( 100) = ( 0.2384111 0.2384111 -0.2384111), wk = 0.0047619 k( 101) = ( 0.2524353 0.2524353 -0.2524353), wk = 0.0047619 k( 102) = ( 0.2664594 0.2664594 -0.2664594), wk = 0.0047619 k( 103) = ( 0.2804836 0.2804836 -0.2804836), wk = 0.0047619 k( 104) = ( 0.2945078 0.2945078 -0.2945078), wk = 0.0047619 k( 105) = ( 0.3085320 0.3085320 -0.3085320), wk = 0.0047619 k( 106) = ( 0.3225562 0.3225562 -0.3225562), wk = 0.0047619 k( 107) = ( 0.3365803 0.3365803 -0.3365803), wk = 0.0047619 k( 108) = ( 0.3506045 0.3506045 -0.3506045), wk = 0.0047619 k( 109) = ( 0.3646287 0.3646287 -0.3646287), wk = 0.0047619 k( 110) = ( 0.3786529 0.3786529 -0.3786529), wk = 0.0047619 k( 111) = ( 0.3926771 0.3926771 -0.3926771), wk = 0.0047619 k( 112) = ( 0.4067013 0.4067012 -0.4067012), wk = 0.0047619 k( 113) = ( 0.4207254 0.4207254 -0.4207254), wk = 0.0047619 k( 114) = ( 0.4347496 0.4347496 -0.4347496), wk = 0.0047619 k( 115) = ( 0.4487738 0.4487738 -0.4487738), wk = 0.0047619 k( 116) = ( 0.4627980 0.4627980 -0.4627980), wk = 0.0047619 k( 117) = ( 0.4627980 0.4627980 -0.4627980), wk = 0.0047619 k( 118) = ( 0.4551981 0.4551980 -0.4373409), wk = 0.0047619 k( 119) = ( 0.4475981 0.4475981 -0.4118838), wk = 0.0047619 k( 120) = ( 0.4399982 0.4399982 -0.3864268), wk = 0.0047619 k( 121) = ( 0.4323983 0.4323983 -0.3609697), wk = 0.0047619 k( 122) = ( 0.4247983 0.4247983 -0.3355126), wk = 0.0047619 k( 123) = ( 0.4171984 0.4171984 -0.3100555), wk = 0.0047619 k( 124) = ( 0.4095985 0.4095985 -0.2845985), wk = 0.0047619 k( 125) = ( 0.4019986 0.4019985 -0.2591414), wk = 0.0047619 k( 126) = ( 0.3943986 0.3943986 -0.2336843), wk = 0.0047619 k( 127) = ( 0.3867987 0.3867987 -0.2082273), wk = 0.0047619 k( 128) = ( 0.3791988 0.3791988 -0.1827702), wk = 0.0047619 k( 129) = ( 0.3715988 0.3715988 -0.1573131), wk = 0.0047619 k( 130) = ( 0.3639989 0.3639989 -0.1318561), wk = 0.0047619 k( 131) = ( 0.3563990 0.3563990 -0.1063990), wk = 0.0047619 k( 132) = ( 0.3487991 0.3487991 -0.0809419), wk = 0.0047619 k( 133) = ( 0.3411991 0.3411991 -0.0554848), wk = 0.0047619 k( 134) = ( 0.3335992 0.3335992 -0.0300278), wk = 0.0047619 k( 135) = ( 0.3259993 0.3259993 -0.0045707), wk = 0.0047619 k( 136) = ( 0.3183994 0.3183993 0.0208864), wk = 0.0047619 k( 137) = ( 0.3107994 0.3107994 0.0463434), wk = 0.0047619 k( 138) = ( 0.3031995 0.3031995 0.0718005), wk = 0.0047619 k( 139) = ( 0.2955996 0.2955996 0.0972576), wk = 0.0047619 k( 140) = ( 0.2879996 0.2879996 0.1227146), wk = 0.0047619 k( 141) = ( 0.2803997 0.2803997 0.1481717), wk = 0.0047619 k( 142) = ( 0.2727998 0.2727998 0.1736288), wk = 0.0047619 k( 143) = ( 0.2651999 0.2651999 0.1990859), wk = 0.0047619 k( 144) = ( 0.2575999 0.2575999 0.2245429), wk = 0.0047619 k( 145) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047619 k( 146) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047619 k( 147) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0047619 k( 148) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0047619 k( 149) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0047619 k( 150) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0047619 k( 151) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0047619 k( 152) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0047619 k( 153) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0047619 k( 154) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0047619 k( 155) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0047619 k( 156) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0047619 k( 157) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0047619 k( 158) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0047619 k( 159) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0047619 k( 160) = ( 0.0441177 0.4558823 0.0441176), wk = 0.0047619 k( 161) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0047619 k( 162) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0047619 k( 163) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 164) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047619 k( 165) = ( -0.0201217 0.5016175 0.0201216), wk = 0.0047619 k( 166) = ( -0.0402433 0.5032350 0.0402433), wk = 0.0047619 k( 167) = ( -0.0603650 0.5048524 0.0603650), wk = 0.0047619 k( 168) = ( -0.0804866 0.5064699 0.0804866), wk = 0.0047619 k( 169) = ( -0.1006083 0.5080874 0.1006083), wk = 0.0047619 k( 170) = ( -0.1207299 0.5097049 0.1207299), wk = 0.0047619 k( 171) = ( -0.1408516 0.5113224 0.1408516), wk = 0.0047619 k( 172) = ( -0.1609732 0.5129398 0.1609732), wk = 0.0047619 k( 173) = ( -0.1810949 0.5145573 0.1810949), wk = 0.0047619 k( 174) = ( -0.2012165 0.5161748 0.2012165), wk = 0.0047619 k( 175) = ( -0.2213382 0.5177923 0.2213382), wk = 0.0047619 k( 176) = ( -0.2414598 0.5194098 0.2414598), wk = 0.0047619 k( 177) = ( -0.2615815 0.5210272 0.2615815), wk = 0.0047619 k( 178) = ( -0.2817031 0.5226447 0.2817031), wk = 0.0047619 k( 179) = ( -0.3018248 0.5242622 0.3018248), wk = 0.0047619 k( 180) = ( -0.3219464 0.5258797 0.3219464), wk = 0.0047619 k( 181) = ( -0.3420681 0.5274971 0.3420681), wk = 0.0047619 k( 182) = ( -0.3621897 0.5291146 0.3621897), wk = 0.0047619 k( 183) = ( -0.3823114 0.5307321 0.3823114), wk = 0.0047619 k( 184) = ( -0.4024330 0.5323496 0.4024330), wk = 0.0047619 k( 185) = ( -0.4225547 0.5339671 0.4225547), wk = 0.0047619 k( 186) = ( -0.4426763 0.5355846 0.4426763), wk = 0.0047619 k( 187) = ( -0.4627980 0.5372020 0.4627980), wk = 0.0047619 k( 188) = ( -0.4627980 0.5372020 0.4627980), wk = 0.0047619 k( 189) = ( -0.4751987 0.5248014 0.4751986), wk = 0.0047619 k( 190) = ( -0.4875993 0.5124007 0.4875993), wk = 0.0047619 k( 191) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 193) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0047619 k( 194) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0047619 k( 195) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0047619 k( 196) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0047619 k( 197) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0047619 k( 198) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0047619 k( 199) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0047619 k( 200) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0047619 k( 201) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0047619 k( 202) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0047619 k( 203) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0047619 k( 204) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0047619 k( 205) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0047619 k( 206) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0047619 k( 207) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0047619 k( 208) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0047619 k( 209) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0047619 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0047619 Dense grid: 405851 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 107835 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 386, 58) NL pseudopotentials 0.40 Mb ( 193, 136) Each V/rho on FFT grid 0.36 Mb ( 23328) Each G-vector array 0.04 Mb ( 5635) G-vector shells 0.02 Mb ( 2664) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 386, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./Hg.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.8 secs Computing kpt #: 4 total cpu time spent up to now is 10.8 secs Computing kpt #: 5 total cpu time spent up to now is 12.8 secs Computing kpt #: 6 total cpu time spent up to now is 14.7 secs Computing kpt #: 7 total cpu time spent up to now is 16.6 secs Computing kpt #: 8 total cpu time spent up to now is 18.5 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 23.0 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.1 secs Computing kpt #: 12 total cpu time spent up to now is 27.4 secs Computing kpt #: 13 total cpu time spent up to now is 28.6 secs Computing kpt #: 14 total cpu time spent up to now is 29.9 secs Computing kpt #: 15 total cpu time spent up to now is 31.1 secs Computing kpt #: 16 total cpu time spent up to now is 32.3 secs Computing kpt #: 17 total cpu time spent up to now is 33.4 secs Computing kpt #: 18 total cpu time spent up to now is 35.1 secs Computing kpt #: 19 total cpu time spent up to now is 36.2 secs Computing kpt #: 20 total cpu time spent up to now is 37.2 secs Computing kpt #: 21 total cpu time spent up to now is 38.3 secs Computing kpt #: 22 total cpu time spent up to now is 39.4 secs Computing kpt #: 23 total cpu time spent up to now is 40.6 secs Computing kpt #: 24 total cpu time spent up to now is 41.7 secs Computing kpt #: 25 total cpu time spent up to now is 42.9 secs Computing kpt #: 26 total cpu time spent up to now is 44.6 secs Computing kpt #: 27 total cpu time spent up to now is 46.2 secs Computing kpt #: 28 total cpu time spent up to now is 47.9 secs Computing kpt #: 29 total cpu time spent up to now is 49.5 secs Computing kpt #: 30 total cpu time spent up to now is 51.2 secs Computing kpt #: 31 total cpu time spent up to now is 52.9 secs Computing kpt #: 32 total cpu time spent up to now is 54.7 secs Computing kpt #: 33 total cpu time spent up to now is 56.4 secs Computing kpt #: 34 total cpu time spent up to now is 58.1 secs Computing kpt #: 35 total cpu time spent up to now is 59.6 secs Computing kpt #: 36 total cpu time spent up to now is 61.3 secs Computing kpt #: 37 total cpu time spent up to now is 63.1 secs Computing kpt #: 38 total cpu time spent up to now is 64.4 secs Computing kpt #: 39 total cpu time spent up to now is 65.9 secs Computing kpt #: 40 total cpu time spent up to now is 67.3 secs Computing kpt #: 41 total cpu time spent up to now is 69.0 secs Computing kpt #: 42 total cpu time spent up to now is 70.8 secs Computing kpt #: 43 total cpu time spent up to now is 72.2 secs Computing kpt #: 44 total cpu time spent up to now is 73.6 secs Computing kpt #: 45 total cpu time spent up to now is 75.1 secs Computing kpt #: 46 total cpu time spent up to now is 76.5 secs Computing kpt #: 47 total cpu time spent up to now is 78.0 secs Computing kpt #: 48 total cpu time spent up to now is 79.1 secs Computing kpt #: 49 total cpu time spent up to now is 80.2 secs Computing kpt #: 50 total cpu time spent up to now is 81.7 secs Computing kpt #: 51 total cpu time spent up to now is 83.1 secs Computing kpt #: 52 total cpu time spent up to now is 84.5 secs Computing kpt #: 53 total cpu time spent up to now is 85.9 secs Computing kpt #: 54 total cpu time spent up to now is 87.3 secs Computing kpt #: 55 total cpu time spent up to now is 88.6 secs Computing kpt #: 56 total cpu time spent up to now is 89.9 secs Computing kpt #: 57 total cpu time spent up to now is 91.3 secs Computing kpt #: 58 total cpu time spent up to now is 92.6 secs Computing kpt #: 59 total cpu time spent up to now is 93.8 secs Computing kpt #: 60 total cpu time spent up to now is 95.2 secs Computing kpt #: 61 total cpu time spent up to now is 96.3 secs Computing kpt #: 62 total cpu time spent up to now is 98.2 secs Computing kpt #: 63 total cpu time spent up to now is 99.3 secs Computing kpt #: 64 total cpu time spent up to now is 100.6 secs Computing kpt #: 65 total cpu time spent up to now is 101.6 secs Computing kpt #: 66 total cpu time spent up to now is 102.8 secs Computing kpt #: 67 total cpu time spent up to now is 103.8 secs Computing kpt #: 68 total cpu time spent up to now is 104.9 secs Computing kpt #: 69 total cpu time spent up to now is 106.0 secs Computing kpt #: 70 total cpu time spent up to now is 107.3 secs Computing kpt #: 71 total cpu time spent up to now is 108.5 secs Computing kpt #: 72 total cpu time spent up to now is 110.2 secs Computing kpt #: 73 total cpu time spent up to now is 112.3 secs Computing kpt #: 74 total cpu time spent up to now is 114.8 secs Computing kpt #: 75 total cpu time spent up to now is 116.8 secs Computing kpt #: 76 total cpu time spent up to now is 118.7 secs Computing kpt #: 77 total cpu time spent up to now is 120.5 secs Computing kpt #: 78 total cpu time spent up to now is 122.4 secs Computing kpt #: 79 total cpu time spent up to now is 124.3 secs Computing kpt #: 80 total cpu time spent up to now is 127.0 secs Computing kpt #: 81 total cpu time spent up to now is 129.6 secs Computing kpt #: 82 total cpu time spent up to now is 131.7 secs Computing kpt #: 83 total cpu time spent up to now is 133.6 secs Computing kpt #: 84 total cpu time spent up to now is 135.5 secs Computing kpt #: 85 total cpu time spent up to now is 137.2 secs Computing kpt #: 86 total cpu time spent up to now is 138.8 secs Computing kpt #: 87 total cpu time spent up to now is 140.3 secs Computing kpt #: 88 total cpu time spent up to now is 141.6 secs Computing kpt #: 89 total cpu time spent up to now is 142.9 secs Computing kpt #: 90 total cpu time spent up to now is 144.6 secs Computing kpt #: 91 total cpu time spent up to now is 146.2 secs Computing kpt #: 92 total cpu time spent up to now is 147.3 secs Computing kpt #: 93 total cpu time spent up to now is 148.6 secs Computing kpt #: 94 total cpu time spent up to now is 149.8 secs Computing kpt #: 95 total cpu time spent up to now is 151.0 secs Computing kpt #: 96 total cpu time spent up to now is 152.3 secs Computing kpt #: 97 total cpu time spent up to now is 153.7 secs Computing kpt #: 98 total cpu time spent up to now is 155.0 secs Computing kpt #: 99 total cpu time spent up to now is 156.5 secs Computing kpt #: 100 total cpu time spent up to now is 157.9 secs Computing kpt #: 101 total cpu time spent up to now is 159.3 secs Computing kpt #: 102 total cpu time spent up to now is 160.8 secs Computing kpt #: 103 total cpu time spent up to now is 162.2 secs Computing kpt #: 104 total cpu time spent up to now is 163.6 secs Computing kpt #: 105 total cpu time spent up to now is 164.9 secs Computing kpt #: 106 total cpu time spent up to now is 166.1 secs Computing kpt #: 107 total cpu time spent up to now is 167.3 secs Computing kpt #: 108 total cpu time spent up to now is 168.4 secs Computing kpt #: 109 total cpu time spent up to now is 170.0 secs Computing kpt #: 110 total cpu time spent up to now is 171.0 secs Computing kpt #: 111 total cpu time spent up to now is 172.1 secs Computing kpt #: 112 total cpu time spent up to now is 173.2 secs Computing kpt #: 113 total cpu time spent up to now is 174.3 secs Computing kpt #: 114 total cpu time spent up to now is 175.4 secs Computing kpt #: 115 total cpu time spent up to now is 176.5 secs Computing kpt #: 116 total cpu time spent up to now is 177.6 secs Computing kpt #: 117 total cpu time spent up to now is 178.7 secs Computing kpt #: 118 total cpu time spent up to now is 179.8 secs Computing kpt #: 119 total cpu time spent up to now is 180.9 secs Computing kpt #: 120 total cpu time spent up to now is 182.0 secs Computing kpt #: 121 total cpu time spent up to now is 183.1 secs Computing kpt #: 122 total cpu time spent up to now is 184.2 secs Computing kpt #: 123 total cpu time spent up to now is 185.3 secs Computing kpt #: 124 total cpu time spent up to now is 186.4 secs Computing kpt #: 125 total cpu time spent up to now is 187.5 secs Computing kpt #: 126 total cpu time spent up to now is 188.6 secs Computing kpt #: 127 total cpu time spent up to now is 189.7 secs Computing kpt #: 128 total cpu time spent up to now is 191.0 secs Computing kpt #: 129 total cpu time spent up to now is 192.1 secs Computing kpt #: 130 total cpu time spent up to now is 193.2 secs Computing kpt #: 131 total cpu time spent up to now is 194.4 secs Computing kpt #: 132 total cpu time spent up to now is 195.5 secs Computing kpt #: 133 total cpu time spent up to now is 196.7 secs Computing kpt #: 134 total cpu time spent up to now is 197.9 secs Computing kpt #: 135 total cpu time spent up to now is 199.1 secs Computing kpt #: 136 total cpu time spent up to now is 200.2 secs Computing kpt #: 137 total cpu time spent up to now is 201.3 secs Computing kpt #: 138 total cpu time spent up to now is 202.5 secs Computing kpt #: 139 total cpu time spent up to now is 203.7 secs Computing kpt #: 140 total cpu time spent up to now is 205.3 secs Computing kpt #: 141 total cpu time spent up to now is 206.4 secs Computing kpt #: 142 total cpu time spent up to now is 207.6 secs Computing kpt #: 143 total cpu time spent up to now is 208.7 secs Computing kpt #: 144 total cpu time spent up to now is 209.9 secs Computing kpt #: 145 total cpu time spent up to now is 211.0 secs Computing kpt #: 146 total cpu time spent up to now is 212.1 secs Computing kpt #: 147 total cpu time spent up to now is 213.2 secs Computing kpt #: 148 total cpu time spent up to now is 214.4 secs Computing kpt #: 149 total cpu time spent up to now is 215.5 secs Computing kpt #: 150 total cpu time spent up to now is 216.7 secs Computing kpt #: 151 total cpu time spent up to now is 217.9 secs Computing kpt #: 152 total cpu time spent up to now is 219.1 secs Computing kpt #: 153 total cpu time spent up to now is 220.3 secs Computing kpt #: 154 total cpu time spent up to now is 221.6 secs Computing kpt #: 155 total cpu time spent up to now is 222.8 secs Computing kpt #: 156 total cpu time spent up to now is 224.0 secs Computing kpt #: 157 total cpu time spent up to now is 225.2 secs Computing kpt #: 158 total cpu time spent up to now is 226.5 secs Computing kpt #: 159 total cpu time spent up to now is 227.7 secs Computing kpt #: 160 total cpu time spent up to now is 228.9 secs Computing kpt #: 161 total cpu time spent up to now is 230.1 secs Computing kpt #: 162 total cpu time spent up to now is 231.3 secs Computing kpt #: 163 total cpu time spent up to now is 232.5 secs Computing kpt #: 164 total cpu time spent up to now is 233.7 secs Computing kpt #: 165 total cpu time spent up to now is 235.1 secs Computing kpt #: 166 total cpu time spent up to now is 236.3 secs Computing kpt #: 167 total cpu time spent up to now is 237.5 secs Computing kpt #: 168 total cpu time spent up to now is 238.6 secs Computing kpt #: 169 total cpu time spent up to now is 240.3 secs Computing kpt #: 170 total cpu time spent up to now is 241.4 secs Computing kpt #: 171 total cpu time spent up to now is 242.5 secs Computing kpt #: 172 total cpu time spent up to now is 243.6 secs Computing kpt #: 173 total cpu time spent up to now is 244.7 secs Computing kpt #: 174 total cpu time spent up to now is 245.8 secs Computing kpt #: 175 total cpu time spent up to now is 246.9 secs Computing kpt #: 176 total cpu time spent up to now is 248.1 secs Computing kpt #: 177 total cpu time spent up to now is 249.2 secs Computing kpt #: 178 total cpu time spent up to now is 250.3 secs Computing kpt #: 179 total cpu time spent up to now is 251.5 secs Computing kpt #: 180 total cpu time spent up to now is 252.6 secs Computing kpt #: 181 total cpu time spent up to now is 253.7 secs Computing kpt #: 182 total cpu time spent up to now is 254.8 secs Computing kpt #: 183 total cpu time spent up to now is 255.9 secs Computing kpt #: 184 total cpu time spent up to now is 257.0 secs Computing kpt #: 185 total cpu time spent up to now is 258.1 secs Computing kpt #: 186 total cpu time spent up to now is 259.2 secs Computing kpt #: 187 total cpu time spent up to now is 260.3 secs Computing kpt #: 188 total cpu time spent up to now is 261.4 secs Computing kpt #: 189 total cpu time spent up to now is 262.6 secs Computing kpt #: 190 total cpu time spent up to now is 263.8 secs Computing kpt #: 191 total cpu time spent up to now is 264.9 secs Computing kpt #: 192 total cpu time spent up to now is 266.1 secs Computing kpt #: 193 total cpu time spent up to now is 267.4 secs Computing kpt #: 194 total cpu time spent up to now is 268.7 secs Computing kpt #: 195 total cpu time spent up to now is 270.8 secs Computing kpt #: 196 total cpu time spent up to now is 271.9 secs Computing kpt #: 197 total cpu time spent up to now is 273.7 secs Computing kpt #: 198 total cpu time spent up to now is 275.3 secs Computing kpt #: 199 total cpu time spent up to now is 276.5 secs Computing kpt #: 200 total cpu time spent up to now is 277.6 secs Computing kpt #: 201 total cpu time spent up to now is 278.9 secs Computing kpt #: 202 total cpu time spent up to now is 280.1 secs Computing kpt #: 203 total cpu time spent up to now is 281.2 secs Computing kpt #: 204 total cpu time spent up to now is 282.4 secs Computing kpt #: 205 total cpu time spent up to now is 283.6 secs Computing kpt #: 206 total cpu time spent up to now is 284.7 secs Computing kpt #: 207 total cpu time spent up to now is 285.9 secs Computing kpt #: 208 total cpu time spent up to now is 287.3 secs Computing kpt #: 209 total cpu time spent up to now is 288.4 secs Computing kpt #: 210 total cpu time spent up to now is 289.5 secs ethr = 2.08E-08, avg # of iterations = 26.9 total cpu time spent up to now is 289.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13489 PWs) bands (ev): -7.5019 -7.5019 -7.4977 -7.4977 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6842 -5.6842 -5.6834 -5.6834 -5.6745 -5.6745 -5.6721 -5.6721 -5.6676 -5.6676 -5.6571 -5.6571 -5.6548 -5.6548 -5.6543 -5.6543 -5.6466 -5.6466 -5.6345 -5.6345 -5.6338 -5.6338 -5.6279 -5.6279 -4.0021 -4.0021 -3.2156 -3.2156 -2.9952 -2.9952 -2.9949 -2.9949 1.3592 1.3592 1.4528 1.4528 1.5610 1.5610 1.9900 1.9900 2.4647 2.4647 k = 0.0000 0.0000 0.0260 ( 13469 PWs) bands (ev): -7.5019 -7.5019 -7.4977 -7.4977 -7.4950 -7.4950 -7.4922 -7.4921 -7.4921 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6842 -5.6841 -5.6834 -5.6833 -5.6745 -5.6744 -5.6722 -5.6720 -5.6677 -5.6674 -5.6572 -5.6571 -5.6549 -5.6548 -5.6544 -5.6541 -5.6466 -5.6466 -5.6346 -5.6345 -5.6339 -5.6337 -5.6280 -5.6279 -4.0013 -4.0013 -3.2168 -3.2167 -2.9952 -2.9952 -2.9949 -2.9949 1.3585 1.3589 1.4499 1.4518 1.5591 1.5611 1.9897 1.9907 2.4612 2.4730 k = 0.0000 0.0000 0.0519 ( 13483 PWs) bands (ev): -7.5019 -7.5018 -7.4978 -7.4977 -7.4950 -7.4950 -7.4922 -7.4921 -7.4921 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4840 -7.4838 -5.6842 -5.6841 -5.6835 -5.6833 -5.6746 -5.6743 -5.6722 -5.6720 -5.6678 -5.6673 -5.6572 -5.6570 -5.6549 -5.6548 -5.6545 -5.6541 -5.6466 -5.6466 -5.6346 -5.6344 -5.6339 -5.6335 -5.6281 -5.6280 -3.9989 -3.9989 -3.2203 -3.2202 -2.9953 -2.9953 -2.9949 -2.9948 1.3569 1.3576 1.4434 1.4471 1.5557 1.5594 1.9897 1.9919 2.4634 2.4850 k = 0.0000 0.0000 0.0779 ( 13471 PWs) bands (ev): -7.5019 -7.5018 -7.4978 -7.4977 -7.4950 -7.4949 -7.4923 -7.4922 -7.4921 -7.4920 -7.4863 -7.4862 -7.4846 -7.4845 -7.4840 -7.4838 -5.6842 -5.6841 -5.6835 -5.6833 -5.6747 -5.6743 -5.6723 -5.6720 -5.6679 -5.6671 -5.6572 -5.6570 -5.6551 -5.6547 -5.6546 -5.6540 -5.6466 -5.6465 -5.6345 -5.6342 -5.6339 -5.6333 -5.6283 -5.6281 -3.9950 -3.9950 -3.2260 -3.2259 -2.9956 -2.9956 -2.9947 -2.9945 1.3543 1.3551 1.4335 1.4389 1.5513 1.5561 1.9902 1.9938 2.4713 2.4995 k = 0.0000 0.0000 0.1038 ( 13457 PWs) bands (ev): -7.5018 -7.5017 -7.4979 -7.4977 -7.4949 -7.4949 -7.4923 -7.4922 -7.4921 -7.4919 -7.4863 -7.4862 -7.4846 -7.4845 -7.4840 -7.4837 -5.6842 -5.6841 -5.6836 -5.6832 -5.6748 -5.6743 -5.6723 -5.6719 -5.6679 -5.6669 -5.6573 -5.6569 -5.6552 -5.6547 -5.6547 -5.6539 -5.6466 -5.6465 -5.6345 -5.6341 -5.6339 -5.6331 -5.6285 -5.6283 -3.9895 -3.9895 -3.2339 -3.2338 -2.9960 -2.9959 -2.9944 -2.9943 1.3506 1.3512 1.4206 1.4278 1.5464 1.5518 1.9913 1.9964 2.4848 2.5161 k = 0.0000 0.0000 0.1298 ( 13461 PWs) bands (ev): -7.5018 -7.5017 -7.4979 -7.4977 -7.4949 -7.4948 -7.4924 -7.4923 -7.4921 -7.4919 -7.4864 -7.4862 -7.4846 -7.4845 -7.4840 -7.4837 -5.6842 -5.6841 -5.6836 -5.6832 -5.6749 -5.6744 -5.6724 -5.6719 -5.6678 -5.6667 -5.6573 -5.6569 -5.6553 -5.6548 -5.6546 -5.6539 -5.6466 -5.6464 -5.6344 -5.6340 -5.6338 -5.6329 -5.6288 -5.6284 -3.9825 -3.9825 -3.2440 -3.2438 -2.9964 -2.9964 -2.9942 -2.9940 1.3454 1.3456 1.4055 1.4142 1.5419 1.5472 1.9930 1.9999 2.5034 2.5353 k = 0.0000 0.0000 0.1557 ( 13457 PWs) bands (ev): -7.5017 -7.5016 -7.4980 -7.4978 -7.4948 -7.4947 -7.4925 -7.4923 -7.4921 -7.4919 -7.4865 -7.4862 -7.4845 -7.4845 -7.4840 -7.4837 -5.6843 -5.6841 -5.6837 -5.6832 -5.6749 -5.6745 -5.6725 -5.6720 -5.6676 -5.6665 -5.6573 -5.6569 -5.6555 -5.6549 -5.6545 -5.6539 -5.6466 -5.6463 -5.6343 -5.6339 -5.6337 -5.6326 -5.6291 -5.6286 -3.9740 -3.9740 -3.2559 -3.2558 -2.9970 -2.9970 -2.9940 -2.9938 1.3383 1.3388 1.3885 1.3987 1.5384 1.5429 1.9959 2.0047 2.5263 2.5573 k = 0.0000 0.0000 0.1817 ( 13455 PWs) bands (ev): -7.5017 -7.5015 -7.4980 -7.4978 -7.4947 -7.4946 -7.4925 -7.4924 -7.4920 -7.4919 -7.4866 -7.4863 -7.4845 -7.4845 -7.4840 -7.4836 -5.6843 -5.6840 -5.6837 -5.6832 -5.6750 -5.6746 -5.6727 -5.6720 -5.6674 -5.6663 -5.6573 -5.6569 -5.6556 -5.6550 -5.6545 -5.6539 -5.6466 -5.6462 -5.6342 -5.6339 -5.6336 -5.6323 -5.6295 -5.6288 -3.9640 -3.9640 -3.2698 -3.2696 -2.9976 -2.9976 -2.9939 -2.9937 1.3292 1.3304 1.3704 1.3817 1.5365 1.5399 2.0003 2.0111 2.5517 2.5819 k = 0.0000 0.0000 0.2076 ( 13461 PWs) bands (ev): -7.5016 -7.5015 -7.4981 -7.4978 -7.4946 -7.4945 -7.4926 -7.4924 -7.4920 -7.4919 -7.4867 -7.4864 -7.4845 -7.4845 -7.4840 -7.4836 -5.6843 -5.6840 -5.6837 -5.6831 -5.6751 -5.6748 -5.6728 -5.6721 -5.6671 -5.6660 -5.6573 -5.6570 -5.6556 -5.6551 -5.6545 -5.6539 -5.6466 -5.6461 -5.6341 -5.6339 -5.6334 -5.6320 -5.6299 -5.6290 -3.9525 -3.9525 -3.2854 -3.2852 -2.9982 -2.9982 -2.9939 -2.9937 1.3185 1.3203 1.3515 1.3639 1.5365 1.5387 2.0066 2.0193 2.5767 2.6087 k = 0.0000 0.0000 0.2336 ( 13471 PWs) bands (ev): -7.5015 -7.5014 -7.4982 -7.4979 -7.4946 -7.4944 -7.4927 -7.4925 -7.4920 -7.4919 -7.4868 -7.4865 -7.4845 -7.4845 -7.4840 -7.4836 -5.6843 -5.6840 -5.6838 -5.6831 -5.6752 -5.6749 -5.6730 -5.6722 -5.6667 -5.6657 -5.6573 -5.6571 -5.6557 -5.6553 -5.6545 -5.6538 -5.6466 -5.6460 -5.6341 -5.6340 -5.6332 -5.6317 -5.6303 -5.6291 -3.9396 -3.9396 -3.3026 -3.3024 -2.9989 -2.9989 -2.9941 -2.9938 1.3064 1.3087 1.3323 1.3455 1.5389 1.5398 2.0153 2.0299 2.5961 2.6366 k = 0.0000 0.0000 0.2596 ( 13459 PWs) bands (ev): -7.5014 -7.5013 -7.4982 -7.4980 -7.4945 -7.4942 -7.4928 -7.4925 -7.4919 -7.4919 -7.4870 -7.4866 -7.4845 -7.4844 -7.4840 -7.4836 -5.6843 -5.6840 -5.6838 -5.6831 -5.6753 -5.6751 -5.6732 -5.6724 -5.6662 -5.6653 -5.6573 -5.6572 -5.6557 -5.6554 -5.6546 -5.6536 -5.6466 -5.6458 -5.6342 -5.6341 -5.6329 -5.6313 -5.6307 -5.6292 -3.9253 -3.9253 -3.3212 -3.3210 -2.9997 -2.9997 -2.9943 -2.9941 1.2934 1.2958 1.3132 1.3269 1.5437 1.5437 2.0267 2.0430 2.6019 2.6573 k = 0.0000 0.0000 0.2855 ( 13455 PWs) bands (ev): -7.5014 -7.5012 -7.4983 -7.4981 -7.4944 -7.4941 -7.4928 -7.4926 -7.4919 -7.4919 -7.4871 -7.4867 -7.4845 -7.4844 -7.4840 -7.4835 -5.6842 -5.6840 -5.6838 -5.6831 -5.6753 -5.6753 -5.6735 -5.6726 -5.6657 -5.6649 -5.6573 -5.6573 -5.6557 -5.6555 -5.6548 -5.6535 -5.6466 -5.6457 -5.6346 -5.6343 -5.6327 -5.6310 -5.6309 -5.6292 -3.9097 -3.9097 -3.3413 -3.3411 -3.0004 -3.0004 -2.9947 -2.9945 1.2799 1.2820 1.2946 1.3085 1.5504 1.5511 2.0411 2.0588 2.5847 2.6141 k = 0.0000 0.0000 0.3115 ( 13471 PWs) bands (ev): -7.5013 -7.5010 -7.4984 -7.4982 -7.4943 -7.4940 -7.4929 -7.4926 -7.4919 -7.4918 -7.4873 -7.4869 -7.4845 -7.4843 -7.4839 -7.4835 -5.6842 -5.6840 -5.6839 -5.6831 -5.6754 -5.6754 -5.6737 -5.6728 -5.6651 -5.6645 -5.6575 -5.6572 -5.6558 -5.6556 -5.6550 -5.6533 -5.6466 -5.6455 -5.6350 -5.6346 -5.6324 -5.6311 -5.6307 -5.6292 -3.8928 -3.8928 -3.3625 -3.3623 -3.0011 -3.0011 -2.9953 -2.9951 1.2662 1.2678 1.2768 1.2906 1.5600 1.5612 2.0587 2.0775 2.5435 2.5519 k = 0.0000 0.0000 0.3374 ( 13471 PWs) bands (ev): -7.5011 -7.5009 -7.4985 -7.4983 -7.4942 -7.4939 -7.4930 -7.4927 -7.4918 -7.4917 -7.4875 -7.4870 -7.4844 -7.4843 -7.4839 -7.4835 -5.6842 -5.6840 -5.6839 -5.6831 -5.6756 -5.6754 -5.6740 -5.6730 -5.6645 -5.6640 -5.6576 -5.6571 -5.6559 -5.6556 -5.6552 -5.6531 -5.6465 -5.6453 -5.6355 -5.6350 -5.6321 -5.6312 -5.6304 -5.6291 -3.8747 -3.8746 -3.3849 -3.3847 -3.0017 -3.0017 -2.9959 -2.9957 1.2527 1.2535 1.2598 1.2735 1.5727 1.5739 2.0794 2.0990 2.4851 2.4875 k = 0.0000 0.0000 0.3634 ( 13497 PWs) bands (ev): -7.5010 -7.5008 -7.4986 -7.4984 -7.4941 -7.4938 -7.4930 -7.4928 -7.4917 -7.4915 -7.4877 -7.4872 -7.4844 -7.4842 -7.4839 -7.4835 -5.6842 -5.6840 -5.6839 -5.6832 -5.6757 -5.6755 -5.6742 -5.6732 -5.6638 -5.6635 -5.6577 -5.6570 -5.6561 -5.6556 -5.6554 -5.6530 -5.6463 -5.6451 -5.6361 -5.6356 -5.6319 -5.6312 -5.6301 -5.6290 -3.8553 -3.8553 -3.4083 -3.4081 -3.0024 -3.0023 -2.9966 -2.9964 1.2394 1.2398 1.2441 1.2573 1.5885 1.5896 2.1033 2.1232 2.4174 2.4253 k = 0.0000 0.0000 0.3893 ( 13509 PWs) bands (ev): -7.5009 -7.5007 -7.4987 -7.4985 -7.4941 -7.4937 -7.4931 -7.4929 -7.4916 -7.4913 -7.4879 -7.4874 -7.4844 -7.4841 -7.4839 -7.4835 -5.6842 -5.6840 -5.6839 -5.6832 -5.6759 -5.6755 -5.6745 -5.6735 -5.6632 -5.6630 -5.6578 -5.6570 -5.6563 -5.6556 -5.6556 -5.6529 -5.6462 -5.6449 -5.6368 -5.6362 -5.6317 -5.6311 -5.6298 -5.6289 -3.8349 -3.8349 -3.4325 -3.4323 -3.0029 -3.0029 -2.9974 -2.9972 1.2261 1.2276 1.2296 1.2423 1.6075 1.6082 2.1297 2.1490 2.3507 2.3622 k = 0.0000 0.0000 0.4153 ( 13517 PWs) bands (ev): -7.5008 -7.5005 -7.4988 -7.4986 -7.4940 -7.4937 -7.4932 -7.4930 -7.4914 -7.4911 -7.4881 -7.4876 -7.4843 -7.4841 -7.4839 -7.4835 -5.6841 -5.6840 -5.6839 -5.6833 -5.6760 -5.6756 -5.6747 -5.6737 -5.6625 -5.6625 -5.6579 -5.6569 -5.6564 -5.6558 -5.6557 -5.6529 -5.6459 -5.6446 -5.6374 -5.6369 -5.6314 -5.6310 -5.6295 -5.6287 -3.8135 -3.8134 -3.4574 -3.4573 -3.0033 -3.0033 -2.9983 -2.9981 1.2137 1.2165 1.2166 1.2287 1.6297 1.6298 2.1569 2.1732 2.2878 2.3039 k = 0.0000 0.0000 0.4413 ( 13511 PWs) bands (ev): -7.5006 -7.5004 -7.4989 -7.4988 -7.4939 -7.4936 -7.4932 -7.4930 -7.4913 -7.4909 -7.4883 -7.4879 -7.4843 -7.4840 -7.4839 -7.4835 -5.6841 -5.6841 -5.6840 -5.6833 -5.6761 -5.6756 -5.6750 -5.6740 -5.6620 -5.6619 -5.6580 -5.6570 -5.6565 -5.6558 -5.6558 -5.6530 -5.6455 -5.6444 -5.6381 -5.6377 -5.6312 -5.6309 -5.6292 -5.6286 -3.7910 -3.7910 -3.4830 -3.4828 -3.0037 -3.0036 -2.9991 -2.9989 1.2026 1.2051 1.2066 1.2165 1.6547 1.6551 2.1721 2.1784 2.2417 2.2687 k = 0.0000 0.0000 0.4672 ( 13503 PWs) bands (ev): -7.5005 -7.5003 -7.4990 -7.4989 -7.4939 -7.4936 -7.4933 -7.4931 -7.4911 -7.4907 -7.4886 -7.4881 -7.4843 -7.4839 -7.4839 -7.4835 -5.6841 -5.6840 -5.6840 -5.6834 -5.6761 -5.6756 -5.6752 -5.6742 -5.6615 -5.6612 -5.6580 -5.6572 -5.6567 -5.6559 -5.6557 -5.6531 -5.6451 -5.6441 -5.6388 -5.6384 -5.6311 -5.6308 -5.6290 -5.6285 -3.7678 -3.7678 -3.5090 -3.5088 -3.0039 -3.0039 -3.0000 -2.9998 1.1930 1.1951 1.1980 1.2059 1.6828 1.6839 2.1377 2.1409 2.2504 2.2812 k = 0.0000 0.0000 0.4932 ( 13507 PWs) bands (ev): -7.5003 -7.5001 -7.4991 -7.4991 -7.4938 -7.4936 -7.4933 -7.4932 -7.4908 -7.4904 -7.4888 -7.4883 -7.4842 -7.4840 -7.4839 -7.4836 -5.6841 -5.6840 -5.6840 -5.6834 -5.6761 -5.6755 -5.6754 -5.6744 -5.6610 -5.6606 -5.6581 -5.6575 -5.6568 -5.6560 -5.6555 -5.6533 -5.6447 -5.6437 -5.6395 -5.6392 -5.6309 -5.6307 -5.6288 -5.6284 -3.7437 -3.7437 -3.5353 -3.5352 -3.0041 -3.0040 -3.0008 -3.0006 1.1850 1.1868 1.1909 1.1971 1.7142 1.7160 2.0827 2.0870 2.2852 2.3153 k = 0.0000 0.0000 0.5191 ( 13517 PWs) bands (ev): -7.5002 -7.5000 -7.4992 -7.4992 -7.4937 -7.4936 -7.4934 -7.4933 -7.4906 -7.4902 -7.4891 -7.4886 -7.4842 -7.4840 -7.4838 -7.4836 -5.6841 -5.6840 -5.6839 -5.6835 -5.6761 -5.6756 -5.6755 -5.6746 -5.6605 -5.6600 -5.6582 -5.6579 -5.6568 -5.6561 -5.6552 -5.6535 -5.6441 -5.6433 -5.6402 -5.6400 -5.6308 -5.6307 -5.6287 -5.6284 -3.7190 -3.7189 -3.5619 -3.5618 -3.0041 -3.0040 -3.0015 -3.0014 1.1787 1.1801 1.1854 1.1899 1.7491 1.7514 2.0269 2.0316 2.3262 2.3562 k = 0.0000 0.0000 0.5451 ( 13517 PWs) bands (ev): -7.5000 -7.4999 -7.4994 -7.4994 -7.4937 -7.4936 -7.4934 -7.4934 -7.4904 -7.4899 -7.4893 -7.4889 -7.4841 -7.4840 -7.4838 -7.4836 -5.6841 -5.6840 -5.6838 -5.6836 -5.6761 -5.6757 -5.6754 -5.6748 -5.6600 -5.6595 -5.6584 -5.6582 -5.6568 -5.6563 -5.6549 -5.6537 -5.6435 -5.6429 -5.6408 -5.6407 -5.6307 -5.6306 -5.6285 -5.6284 -3.6936 -3.6936 -3.5885 -3.5884 -3.0039 -3.0038 -3.0022 -3.0021 1.1743 1.1753 1.1817 1.1846 1.7873 1.7902 1.9730 1.9777 2.3705 2.4010 k = 0.0000 0.0000 0.5710 ( 13503 PWs) bands (ev): -7.4999 -7.4997 -7.4996 -7.4995 -7.4936 -7.4935 -7.4935 -7.4934 -7.4901 -7.4897 -7.4896 -7.4891 -7.4841 -7.4840 -7.4837 -7.4837 -5.6841 -5.6840 -5.6838 -5.6836 -5.6761 -5.6759 -5.6753 -5.6750 -5.6595 -5.6591 -5.6586 -5.6585 -5.6567 -5.6565 -5.6546 -5.6540 -5.6429 -5.6425 -5.6415 -5.6414 -5.6306 -5.6306 -5.6284 -5.6284 -3.6678 -3.6678 -3.6152 -3.6151 -3.0037 -3.0036 -3.0028 -3.0027 1.1717 1.1722 1.1797 1.1811 1.8288 1.8324 1.9218 1.9263 2.4171 2.4485 k = 0.0000 0.0000 0.5970 ( 13520 PWs) bands (ev): -7.4997 -7.4997 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4935 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6840 -5.6840 -5.6837 -5.6837 -5.6760 -5.6760 -5.6751 -5.6751 -5.6591 -5.6591 -5.6588 -5.6588 -5.6566 -5.6566 -5.6543 -5.6543 -5.6422 -5.6422 -5.6419 -5.6419 -5.6306 -5.6306 -5.6284 -5.6284 -3.6416 -3.6416 -3.6416 -3.6416 -3.0033 -3.0033 -3.0032 -3.0032 1.1710 1.1710 1.1795 1.1795 1.8737 1.8737 1.8778 1.8778 2.4654 2.4654 k = 0.0000 0.0000 0.5970 ( 13520 PWs) bands (ev): -7.4997 -7.4997 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4935 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6840 -5.6840 -5.6837 -5.6837 -5.6760 -5.6760 -5.6751 -5.6751 -5.6591 -5.6591 -5.6588 -5.6588 -5.6566 -5.6566 -5.6543 -5.6543 -5.6422 -5.6422 -5.6419 -5.6419 -5.6306 -5.6306 -5.6284 -5.6284 -3.6416 -3.6416 -3.6416 -3.6416 -3.0033 -3.0033 -3.0032 -3.0032 1.1710 1.1710 1.1795 1.1795 1.8737 1.8737 1.8778 1.8778 2.4654 2.4654 k =-0.0217 0.0142 0.5970 ( 13522 PWs) bands (ev): -7.4997 -7.4997 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4935 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6841 -5.6841 -5.6837 -5.6837 -5.6760 -5.6760 -5.6751 -5.6751 -5.6591 -5.6591 -5.6587 -5.6587 -5.6566 -5.6566 -5.6543 -5.6543 -5.6422 -5.6422 -5.6419 -5.6419 -5.6306 -5.6306 -5.6284 -5.6284 -3.6413 -3.6413 -3.6413 -3.6413 -3.0036 -3.0036 -3.0035 -3.0035 1.1723 1.1723 1.1807 1.1807 1.8611 1.8611 1.8653 1.8653 2.4789 2.4789 k =-0.0435 0.0284 0.5970 ( 13498 PWs) bands (ev): -7.4997 -7.4997 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4935 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6841 -5.6841 -5.6837 -5.6837 -5.6759 -5.6759 -5.6751 -5.6751 -5.6593 -5.6593 -5.6586 -5.6586 -5.6566 -5.6566 -5.6543 -5.6543 -5.6423 -5.6423 -5.6419 -5.6419 -5.6307 -5.6307 -5.6285 -5.6285 -3.6405 -3.6405 -3.6404 -3.6404 -3.0045 -3.0045 -3.0043 -3.0043 1.1760 1.1760 1.1845 1.1845 1.8263 1.8263 1.8308 1.8308 2.5163 2.5163 k =-0.0652 0.0425 0.5970 ( 13514 PWs) bands (ev): -7.4998 -7.4998 -7.4996 -7.4996 -7.4935 -7.4935 -7.4934 -7.4934 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6842 -5.6842 -5.6837 -5.6837 -5.6758 -5.6758 -5.6749 -5.6749 -5.6594 -5.6594 -5.6586 -5.6585 -5.6566 -5.6566 -5.6543 -5.6543 -5.6424 -5.6424 -5.6418 -5.6418 -5.6308 -5.6308 -5.6286 -5.6286 -3.6391 -3.6391 -3.6390 -3.6390 -3.0059 -3.0059 -3.0057 -3.0057 1.1822 1.1822 1.1907 1.1907 1.7763 1.7763 1.7811 1.7811 2.5700 2.5700 k =-0.0870 0.0567 0.5970 ( 13512 PWs) bands (ev): -7.4998 -7.4998 -7.4996 -7.4996 -7.4935 -7.4935 -7.4934 -7.4934 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6843 -5.6843 -5.6837 -5.6837 -5.6757 -5.6757 -5.6748 -5.6748 -5.6595 -5.6595 -5.6585 -5.6585 -5.6565 -5.6565 -5.6542 -5.6542 -5.6424 -5.6424 -5.6417 -5.6417 -5.6309 -5.6309 -5.6287 -5.6287 -3.6371 -3.6371 -3.6370 -3.6370 -3.0078 -3.0078 -3.0077 -3.0077 1.1907 1.1907 1.1993 1.1993 1.7175 1.7175 1.7223 1.7223 2.6330 2.6330 k =-0.1087 0.0709 0.5970 ( 13508 PWs) bands (ev): -7.4999 -7.4999 -7.4997 -7.4997 -7.4935 -7.4935 -7.4933 -7.4933 -7.4898 -7.4897 -7.4893 -7.4893 -7.4842 -7.4842 -7.4838 -7.4838 -5.6844 -5.6844 -5.6838 -5.6838 -5.6756 -5.6756 -5.6746 -5.6746 -5.6597 -5.6597 -5.6585 -5.6585 -5.6563 -5.6563 -5.6542 -5.6542 -5.6425 -5.6425 -5.6416 -5.6416 -5.6311 -5.6311 -5.6289 -5.6289 -3.6346 -3.6346 -3.6345 -3.6345 -3.0103 -3.0103 -3.0101 -3.0101 1.2013 1.2013 1.2100 1.2100 1.6542 1.6542 1.6590 1.6590 2.6995 2.6995 k =-0.1304 0.0851 0.5970 ( 13510 PWs) bands (ev): -7.4999 -7.4999 -7.4997 -7.4997 -7.4934 -7.4934 -7.4933 -7.4933 -7.4897 -7.4897 -7.4893 -7.4893 -7.4842 -7.4842 -7.4838 -7.4838 -5.6845 -5.6845 -5.6838 -5.6838 -5.6754 -5.6754 -5.6744 -5.6744 -5.6598 -5.6598 -5.6585 -5.6585 -5.6562 -5.6562 -5.6542 -5.6542 -5.6426 -5.6426 -5.6415 -5.6415 -5.6312 -5.6312 -5.6291 -5.6291 -3.6317 -3.6317 -3.6316 -3.6316 -3.0132 -3.0132 -3.0130 -3.0130 1.2138 1.2138 1.2226 1.2226 1.5893 1.5893 1.5941 1.5941 2.7650 2.7650 k =-0.1522 0.0993 0.5970 ( 13500 PWs) bands (ev): -7.5000 -7.5000 -7.4997 -7.4997 -7.4934 -7.4934 -7.4932 -7.4932 -7.4897 -7.4897 -7.4893 -7.4893 -7.4842 -7.4842 -7.4838 -7.4838 -5.6846 -5.6846 -5.6839 -5.6839 -5.6752 -5.6752 -5.6742 -5.6742 -5.6599 -5.6599 -5.6586 -5.6586 -5.6560 -5.6560 -5.6541 -5.6541 -5.6427 -5.6427 -5.6414 -5.6414 -5.6315 -5.6315 -5.6293 -5.6293 -3.6283 -3.6283 -3.6282 -3.6282 -3.0165 -3.0165 -3.0163 -3.0163 1.2279 1.2279 1.2369 1.2369 1.5249 1.5249 1.5296 1.5296 2.8251 2.8251 k =-0.1739 0.1135 0.5970 ( 13514 PWs) bands (ev): -7.5000 -7.5000 -7.4998 -7.4998 -7.4934 -7.4934 -7.4932 -7.4932 -7.4896 -7.4896 -7.4892 -7.4892 -7.4843 -7.4843 -7.4838 -7.4838 -5.6847 -5.6847 -5.6840 -5.6840 -5.6749 -5.6749 -5.6739 -5.6739 -5.6600 -5.6600 -5.6586 -5.6586 -5.6558 -5.6558 -5.6541 -5.6541 -5.6427 -5.6427 -5.6414 -5.6414 -5.6317 -5.6317 -5.6296 -5.6296 -3.6246 -3.6246 -3.6244 -3.6244 -3.0201 -3.0201 -3.0199 -3.0199 1.2429 1.2429 1.2522 1.2522 1.4622 1.4622 1.4670 1.4670 2.8763 2.8763 k =-0.1957 0.1276 0.5970 ( 13520 PWs) bands (ev): -7.5001 -7.5001 -7.4998 -7.4998 -7.4933 -7.4933 -7.4931 -7.4931 -7.4896 -7.4896 -7.4892 -7.4892 -7.4843 -7.4843 -7.4839 -7.4839 -5.6848 -5.6848 -5.6841 -5.6841 -5.6747 -5.6747 -5.6737 -5.6737 -5.6600 -5.6600 -5.6587 -5.6587 -5.6557 -5.6557 -5.6541 -5.6541 -5.6428 -5.6428 -5.6413 -5.6413 -5.6320 -5.6320 -5.6298 -5.6298 -3.6205 -3.6205 -3.6204 -3.6204 -3.0241 -3.0241 -3.0239 -3.0239 1.2574 1.2574 1.2673 1.2673 1.4032 1.4032 1.4085 1.4085 2.9163 2.9163 k =-0.2174 0.1418 0.5970 ( 13524 PWs) bands (ev): -7.5001 -7.5001 -7.4999 -7.4999 -7.4933 -7.4933 -7.4930 -7.4930 -7.4895 -7.4895 -7.4892 -7.4891 -7.4844 -7.4844 -7.4839 -7.4839 -5.6849 -5.6849 -5.6842 -5.6842 -5.6744 -5.6744 -5.6734 -5.6734 -5.6601 -5.6601 -5.6588 -5.6588 -5.6555 -5.6555 -5.6541 -5.6541 -5.6428 -5.6428 -5.6412 -5.6412 -5.6322 -5.6322 -5.6301 -5.6301 -3.6162 -3.6162 -3.6160 -3.6160 -3.0283 -3.0283 -3.0281 -3.0281 1.2664 1.2664 1.2776 1.2776 1.3523 1.3523 1.3598 1.3598 2.9447 2.9447 k =-0.2391 0.1560 0.5970 ( 13524 PWs) bands (ev): -7.5002 -7.5002 -7.4999 -7.4999 -7.4932 -7.4932 -7.4930 -7.4930 -7.4895 -7.4895 -7.4891 -7.4891 -7.4844 -7.4844 -7.4840 -7.4840 -5.6850 -5.6850 -5.6843 -5.6843 -5.6741 -5.6741 -5.6731 -5.6731 -5.6602 -5.6602 -5.6588 -5.6588 -5.6553 -5.6553 -5.6541 -5.6541 -5.6429 -5.6429 -5.6411 -5.6411 -5.6325 -5.6325 -5.6304 -5.6304 -3.6117 -3.6117 -3.6115 -3.6115 -3.0326 -3.0326 -3.0324 -3.0324 1.2528 1.2528 1.2627 1.2627 1.3298 1.3298 1.3385 1.3385 2.9632 2.9632 k =-0.2609 0.1702 0.5970 ( 13520 PWs) bands (ev): -7.5003 -7.5003 -7.5000 -7.5000 -7.4931 -7.4931 -7.4929 -7.4929 -7.4895 -7.4895 -7.4891 -7.4891 -7.4844 -7.4844 -7.4840 -7.4840 -5.6851 -5.6851 -5.6844 -5.6844 -5.6738 -5.6738 -5.6729 -5.6729 -5.6602 -5.6602 -5.6589 -5.6589 -5.6552 -5.6552 -5.6540 -5.6540 -5.6429 -5.6429 -5.6411 -5.6411 -5.6328 -5.6328 -5.6308 -5.6308 -3.6071 -3.6071 -3.6069 -3.6069 -3.0371 -3.0371 -3.0368 -3.0368 1.2140 1.2140 1.2203 1.2204 1.3386 1.3386 1.3462 1.3462 2.9742 2.9742 k =-0.2826 0.1844 0.5970 ( 13514 PWs) bands (ev): -7.5003 -7.5003 -7.5001 -7.5001 -7.4931 -7.4931 -7.4928 -7.4928 -7.4894 -7.4894 -7.4890 -7.4890 -7.4845 -7.4845 -7.4841 -7.4841 -5.6852 -5.6852 -5.6845 -5.6845 -5.6735 -5.6735 -5.6726 -5.6726 -5.6603 -5.6603 -5.6589 -5.6589 -5.6551 -5.6551 -5.6540 -5.6540 -5.6429 -5.6429 -5.6410 -5.6410 -5.6330 -5.6330 -5.6311 -5.6311 -3.6025 -3.6025 -3.6023 -3.6023 -3.0415 -3.0415 -3.0413 -3.0413 1.1698 1.1698 1.1744 1.1744 1.3555 1.3555 1.3627 1.3627 2.9800 2.9800 k =-0.3043 0.1985 0.5970 ( 13514 PWs) bands (ev): -7.5003 -7.5003 -7.5001 -7.5001 -7.4930 -7.4930 -7.4928 -7.4928 -7.4894 -7.4894 -7.4890 -7.4890 -7.4845 -7.4845 -7.4841 -7.4841 -5.6853 -5.6853 -5.6846 -5.6846 -5.6732 -5.6732 -5.6724 -5.6724 -5.6603 -5.6603 -5.6589 -5.6589 -5.6551 -5.6551 -5.6540 -5.6540 -5.6429 -5.6429 -5.6410 -5.6410 -5.6333 -5.6333 -5.6314 -5.6314 -3.5980 -3.5980 -3.5978 -3.5978 -3.0458 -3.0458 -3.0456 -3.0456 1.1271 1.1271 1.1308 1.1308 1.3741 1.3741 1.3811 1.3811 2.9824 2.9824 k =-0.3261 0.2127 0.5970 ( 13518 PWs) bands (ev): -7.5004 -7.5004 -7.5002 -7.5002 -7.4930 -7.4930 -7.4927 -7.4927 -7.4893 -7.4893 -7.4889 -7.4889 -7.4846 -7.4846 -7.4842 -7.4842 -5.6853 -5.6853 -5.6847 -5.6847 -5.6729 -5.6729 -5.6721 -5.6721 -5.6603 -5.6603 -5.6590 -5.6590 -5.6551 -5.6551 -5.6539 -5.6539 -5.6428 -5.6428 -5.6410 -5.6410 -5.6335 -5.6335 -5.6318 -5.6318 -3.5936 -3.5936 -3.5934 -3.5934 -3.0500 -3.0500 -3.0498 -3.0498 1.0876 1.0876 1.0907 1.0907 1.3929 1.3929 1.3995 1.3995 2.9828 2.9828 k =-0.3478 0.2269 0.5970 ( 13528 PWs) bands (ev): -7.5004 -7.5004 -7.5002 -7.5002 -7.4929 -7.4929 -7.4927 -7.4927 -7.4893 -7.4893 -7.4889 -7.4889 -7.4846 -7.4846 -7.4842 -7.4842 -5.6854 -5.6854 -5.6848 -5.6848 -5.6726 -5.6726 -5.6719 -5.6719 -5.6604 -5.6604 -5.6590 -5.6590 -5.6550 -5.6550 -5.6539 -5.6539 -5.6428 -5.6428 -5.6410 -5.6410 -5.6337 -5.6337 -5.6321 -5.6321 -3.5894 -3.5894 -3.5893 -3.5893 -3.0539 -3.0539 -3.0537 -3.0537 1.0522 1.0522 1.0548 1.0548 1.4110 1.4110 1.4171 1.4171 2.9819 2.9819 k =-0.3696 0.2411 0.5970 ( 13504 PWs) bands (ev): -7.5005 -7.5005 -7.5003 -7.5003 -7.4929 -7.4929 -7.4926 -7.4926 -7.4892 -7.4892 -7.4889 -7.4889 -7.4846 -7.4846 -7.4843 -7.4843 -5.6854 -5.6854 -5.6849 -5.6849 -5.6723 -5.6723 -5.6717 -5.6717 -5.6603 -5.6603 -5.6590 -5.6590 -5.6550 -5.6550 -5.6539 -5.6539 -5.6427 -5.6427 -5.6411 -5.6411 -5.6339 -5.6339 -5.6324 -5.6324 -3.5856 -3.5856 -3.5855 -3.5855 -3.0575 -3.0575 -3.0573 -3.0573 1.0210 1.0210 1.0232 1.0232 1.4278 1.4278 1.4333 1.4333 2.9806 2.9806 k =-0.3913 0.2553 0.5970 ( 13496 PWs) bands (ev): -7.5005 -7.5005 -7.5003 -7.5003 -7.4928 -7.4928 -7.4926 -7.4926 -7.4892 -7.4892 -7.4889 -7.4889 -7.4846 -7.4846 -7.4843 -7.4843 -5.6854 -5.6854 -5.6850 -5.6850 -5.6720 -5.6720 -5.6715 -5.6715 -5.6603 -5.6603 -5.6591 -5.6591 -5.6549 -5.6549 -5.6539 -5.6539 -5.6426 -5.6426 -5.6412 -5.6412 -5.6340 -5.6340 -5.6327 -5.6327 -3.5823 -3.5823 -3.5821 -3.5821 -3.0607 -3.0607 -3.0605 -3.0605 0.9944 0.9944 0.9962 0.9962 1.4430 1.4430 1.4478 1.4478 2.9792 2.9792 k =-0.4130 0.2695 0.5970 ( 13460 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4928 -7.4928 -7.4926 -7.4926 -7.4891 -7.4891 -7.4889 -7.4889 -7.4846 -7.4846 -7.4844 -7.4844 -5.6855 -5.6855 -5.6851 -5.6851 -5.6718 -5.6718 -5.6714 -5.6714 -5.6602 -5.6602 -5.6592 -5.6592 -5.6549 -5.6549 -5.6540 -5.6540 -5.6425 -5.6425 -5.6413 -5.6413 -5.6340 -5.6340 -5.6330 -5.6330 -3.5794 -3.5794 -3.5793 -3.5793 -3.0634 -3.0634 -3.0632 -3.0632 0.9725 0.9725 0.9739 0.9739 1.4560 1.4560 1.4600 1.4600 2.9780 2.9780 k =-0.4348 0.2836 0.5970 ( 13454 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4927 -7.4927 -7.4926 -7.4926 -7.4891 -7.4891 -7.4889 -7.4889 -7.4846 -7.4846 -7.4844 -7.4844 -5.6855 -5.6855 -5.6852 -5.6852 -5.6716 -5.6716 -5.6713 -5.6713 -5.6602 -5.6602 -5.6593 -5.6593 -5.6548 -5.6548 -5.6540 -5.6540 -5.6424 -5.6424 -5.6414 -5.6414 -5.6341 -5.6341 -5.6332 -5.6332 -3.5770 -3.5770 -3.5769 -3.5769 -3.0655 -3.0655 -3.0654 -3.0654 0.9554 0.9554 0.9564 0.9564 1.4667 1.4667 1.4698 1.4698 2.9774 2.9774 k =-0.4565 0.2978 0.5970 ( 13446 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4927 -7.4927 -7.4926 -7.4926 -7.4890 -7.4890 -7.4889 -7.4889 -7.4846 -7.4846 -7.4845 -7.4845 -5.6854 -5.6854 -5.6853 -5.6853 -5.6715 -5.6715 -5.6713 -5.6713 -5.6600 -5.6600 -5.6595 -5.6595 -5.6547 -5.6546 -5.6541 -5.6541 -5.6422 -5.6422 -5.6415 -5.6415 -5.6340 -5.6340 -5.6335 -5.6335 -3.5753 -3.5753 -3.5753 -3.5753 -3.0671 -3.0671 -3.0671 -3.0671 0.9432 0.9432 0.9439 0.9439 1.4747 1.4747 1.4768 1.4768 2.9775 2.9775 k =-0.4783 0.3120 0.5970 ( 13424 PWs) bands (ev): -7.5005 -7.5005 -7.5005 -7.5005 -7.4926 -7.4926 -7.4926 -7.4926 -7.4890 -7.4890 -7.4889 -7.4889 -7.4846 -7.4846 -7.4845 -7.4845 -5.6854 -5.6854 -5.6853 -5.6853 -5.6714 -5.6714 -5.6713 -5.6713 -5.6599 -5.6599 -5.6596 -5.6596 -5.6545 -5.6545 -5.6542 -5.6542 -5.6421 -5.6421 -5.6417 -5.6417 -5.6339 -5.6339 -5.6337 -5.6337 -3.5743 -3.5743 -3.5742 -3.5742 -3.0681 -3.0681 -3.0680 -3.0680 0.9359 0.9359 0.9362 0.9362 1.4798 1.4798 1.4808 1.4808 2.9783 2.9784 k =-0.5000 0.3262 0.5970 ( 13426 PWs) bands (ev): -7.5005 -7.5005 -7.5005 -7.5005 -7.4926 -7.4926 -7.4926 -7.4926 -7.4889 -7.4889 -7.4889 -7.4889 -7.4846 -7.4846 -7.4846 -7.4846 -5.6854 -5.6854 -5.6854 -5.6854 -5.6713 -5.6713 -5.6713 -5.6713 -5.6598 -5.6598 -5.6598 -5.6598 -5.6544 -5.6544 -5.6544 -5.6544 -5.6419 -5.6419 -5.6419 -5.6419 -5.6338 -5.6338 -5.6338 -5.6338 -3.5739 -3.5739 -3.5739 -3.5739 -3.0684 -3.0684 -3.0684 -3.0684 0.9336 0.9336 0.9336 0.9336 1.4818 1.4818 1.4818 1.4818 2.9800 2.9800 k =-0.5000 0.3262 0.5970 ( 13426 PWs) bands (ev): -7.5005 -7.5005 -7.5005 -7.5005 -7.4926 -7.4926 -7.4926 -7.4926 -7.4889 -7.4889 -7.4889 -7.4889 -7.4846 -7.4846 -7.4846 -7.4846 -5.6854 -5.6854 -5.6854 -5.6854 -5.6713 -5.6713 -5.6713 -5.6713 -5.6598 -5.6598 -5.6598 -5.6598 -5.6544 -5.6544 -5.6544 -5.6544 -5.6419 -5.6419 -5.6419 -5.6419 -5.6338 -5.6338 -5.6338 -5.6338 -3.5739 -3.5739 -3.5739 -3.5739 -3.0684 -3.0684 -3.0684 -3.0684 0.9336 0.9336 0.9336 0.9336 1.4818 1.4818 1.4818 1.4818 2.9800 2.9800 k =-0.4848 0.3163 0.5789 ( 13420 PWs) bands (ev): -7.5005 -7.5005 -7.5005 -7.5005 -7.4926 -7.4926 -7.4926 -7.4926 -7.4890 -7.4889 -7.4889 -7.4889 -7.4846 -7.4846 -7.4845 -7.4845 -5.6854 -5.6854 -5.6854 -5.6853 -5.6714 -5.6714 -5.6713 -5.6713 -5.6600 -5.6598 -5.6597 -5.6596 -5.6545 -5.6545 -5.6543 -5.6542 -5.6421 -5.6419 -5.6418 -5.6416 -5.6340 -5.6339 -5.6337 -5.6336 -3.5752 -3.5752 -3.5733 -3.5733 -3.0682 -3.0682 -3.0680 -3.0679 0.9346 0.9347 0.9372 0.9374 1.4796 1.4802 1.4804 1.4811 2.9781 2.9787 k =-0.4697 0.3064 0.5608 ( 13424 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4927 -7.4927 -7.4926 -7.4926 -7.4891 -7.4889 -7.4889 -7.4889 -7.4846 -7.4846 -7.4845 -7.4845 -5.6855 -5.6854 -5.6853 -5.6852 -5.6715 -5.6715 -5.6713 -5.6713 -5.6602 -5.6598 -5.6596 -5.6594 -5.6547 -5.6546 -5.6543 -5.6540 -5.6424 -5.6419 -5.6418 -5.6414 -5.6341 -5.6339 -5.6336 -5.6334 -3.5792 -3.5792 -3.5713 -3.5713 -3.0677 -3.0676 -3.0667 -3.0666 0.9379 0.9382 0.9483 0.9486 1.4746 1.4756 1.4761 1.4775 2.9769 2.9773 k =-0.4545 0.2965 0.5427 ( 13452 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4927 -7.4927 -7.4926 -7.4926 -7.4892 -7.4889 -7.4889 -7.4888 -7.4846 -7.4846 -7.4845 -7.4844 -5.6855 -5.6853 -5.6853 -5.6852 -5.6716 -5.6716 -5.6714 -5.6713 -5.6604 -5.6598 -5.6596 -5.6592 -5.6548 -5.6547 -5.6542 -5.6539 -5.6426 -5.6420 -5.6417 -5.6412 -5.6342 -5.6338 -5.6335 -5.6331 -3.5857 -3.5856 -3.5681 -3.5681 -3.0667 -3.0667 -3.0645 -3.0645 0.9434 0.9438 0.9667 0.9672 1.4669 1.4683 1.4691 1.4712 2.9754 2.9759 k =-0.4394 0.2867 0.5246 ( 13459 PWs) bands (ev): -7.5005 -7.5005 -7.5003 -7.5003 -7.4928 -7.4927 -7.4926 -7.4926 -7.4893 -7.4890 -7.4889 -7.4888 -7.4846 -7.4846 -7.4845 -7.4843 -5.6855 -5.6853 -5.6852 -5.6851 -5.6718 -5.6718 -5.6715 -5.6714 -5.6606 -5.6598 -5.6595 -5.6591 -5.6549 -5.6547 -5.6543 -5.6537 -5.6429 -5.6421 -5.6417 -5.6409 -5.6342 -5.6338 -5.6333 -5.6328 -3.5945 -3.5945 -3.5636 -3.5636 -3.0654 -3.0654 -3.0617 -3.0616 0.9511 0.9517 0.9923 0.9930 1.4569 1.4586 1.4597 1.4626 2.9718 2.9742 k =-0.4242 0.2768 0.5065 ( 13469 PWs) bands (ev): -7.5006 -7.5005 -7.5003 -7.5003 -7.4928 -7.4928 -7.4926 -7.4926 -7.4894 -7.4891 -7.4888 -7.4887 -7.4846 -7.4846 -7.4845 -7.4842 -5.6856 -5.6853 -5.6852 -5.6850 -5.6721 -5.6720 -5.6716 -5.6714 -5.6608 -5.6597 -5.6596 -5.6589 -5.6550 -5.6547 -5.6543 -5.6536 -5.6432 -5.6422 -5.6415 -5.6407 -5.6341 -5.6337 -5.6332 -5.6325 -3.6056 -3.6055 -3.5579 -3.5578 -3.0638 -3.0637 -3.0582 -3.0581 0.9608 0.9617 1.0249 1.0260 1.4451 1.4469 1.4484 1.4522 2.9655 2.9706 k =-0.4091 0.2669 0.4884 ( 13507 PWs) bands (ev): -7.5006 -7.5005 -7.5002 -7.5002 -7.4929 -7.4928 -7.4926 -7.4926 -7.4896 -7.4892 -7.4888 -7.4886 -7.4846 -7.4845 -7.4845 -7.4842 -5.6856 -5.6852 -5.6851 -5.6849 -5.6723 -5.6722 -5.6717 -5.6716 -5.6610 -5.6597 -5.6595 -5.6588 -5.6552 -5.6546 -5.6543 -5.6535 -5.6434 -5.6423 -5.6414 -5.6404 -5.6341 -5.6336 -5.6329 -5.6322 -3.6186 -3.6186 -3.5509 -3.5508 -3.0618 -3.0617 -3.0542 -3.0540 0.9727 0.9738 1.0644 1.0660 1.4318 1.4339 1.4358 1.4403 2.9554 2.9644 k =-0.3939 0.2570 0.4704 ( 13503 PWs) bands (ev): -7.5006 -7.5005 -7.5001 -7.5001 -7.4929 -7.4929 -7.4927 -7.4927 -7.4898 -7.4893 -7.4887 -7.4885 -7.4846 -7.4845 -7.4844 -7.4841 -5.6856 -5.6852 -5.6850 -5.6847 -5.6726 -5.6725 -5.6719 -5.6717 -5.6612 -5.6599 -5.6594 -5.6586 -5.6553 -5.6544 -5.6544 -5.6534 -5.6437 -5.6425 -5.6412 -5.6401 -5.6339 -5.6335 -5.6327 -5.6318 -3.6334 -3.6333 -3.5428 -3.5427 -3.0596 -3.0595 -3.0498 -3.0496 0.9865 0.9880 1.1104 1.1127 1.4177 1.4200 1.4225 1.4278 2.9409 2.9546 k =-0.3788 0.2471 0.4523 ( 13493 PWs) bands (ev): -7.5006 -7.5006 -7.5000 -7.5000 -7.4930 -7.4929 -7.4927 -7.4927 -7.4900 -7.4894 -7.4886 -7.4884 -7.4846 -7.4845 -7.4844 -7.4840 -5.6856 -5.6851 -5.6848 -5.6846 -5.6728 -5.6727 -5.6721 -5.6719 -5.6614 -5.6601 -5.6592 -5.6585 -5.6555 -5.6545 -5.6542 -5.6534 -5.6440 -5.6427 -5.6410 -5.6398 -5.6338 -5.6334 -5.6325 -5.6315 -3.6497 -3.6496 -3.5335 -3.5334 -3.0571 -3.0569 -3.0451 -3.0449 1.0021 1.0041 1.1624 1.1658 1.4031 1.4058 1.4090 1.4153 2.9213 2.9407 k =-0.3636 0.2372 0.4342 ( 13493 PWs) bands (ev): -7.5007 -7.5006 -7.4999 -7.4998 -7.4930 -7.4930 -7.4927 -7.4927 -7.4902 -7.4896 -7.4885 -7.4883 -7.4846 -7.4845 -7.4844 -7.4839 -5.6856 -5.6850 -5.6847 -5.6845 -5.6731 -5.6730 -5.6723 -5.6720 -5.6616 -5.6604 -5.6590 -5.6584 -5.6556 -5.6546 -5.6539 -5.6534 -5.6443 -5.6429 -5.6407 -5.6395 -5.6336 -5.6333 -5.6322 -5.6312 -3.6672 -3.6672 -3.5231 -3.5230 -3.0543 -3.0541 -3.0402 -3.0400 1.0194 1.0221 1.2192 1.2249 1.3887 1.3919 1.3962 1.4042 2.8963 2.9222 k =-0.3485 0.2273 0.4161 ( 13489 PWs) bands (ev): -7.5007 -7.5006 -7.4998 -7.4997 -7.4931 -7.4930 -7.4928 -7.4928 -7.4904 -7.4897 -7.4884 -7.4882 -7.4846 -7.4845 -7.4844 -7.4839 -5.6856 -5.6849 -5.6846 -5.6843 -5.6734 -5.6733 -5.6725 -5.6722 -5.6619 -5.6607 -5.6588 -5.6583 -5.6557 -5.6546 -5.6537 -5.6534 -5.6446 -5.6431 -5.6404 -5.6391 -5.6334 -5.6331 -5.6320 -5.6309 -3.6858 -3.6857 -3.5117 -3.5116 -3.0513 -3.0511 -3.0353 -3.0350 1.0382 1.0417 1.2774 1.2888 1.3748 1.3788 1.3857 1.3981 2.8657 2.8989 k =-0.3333 0.2175 0.3980 ( 13489 PWs) bands (ev): -7.5008 -7.5006 -7.4997 -7.4996 -7.4932 -7.4931 -7.4928 -7.4928 -7.4906 -7.4899 -7.4883 -7.4881 -7.4846 -7.4844 -7.4844 -7.4838 -5.6855 -5.6849 -5.6844 -5.6842 -5.6736 -5.6735 -5.6726 -5.6724 -5.6621 -5.6610 -5.6586 -5.6582 -5.6558 -5.6547 -5.6535 -5.6534 -5.6449 -5.6433 -5.6400 -5.6387 -5.6333 -5.6330 -5.6317 -5.6307 -3.7051 -3.7050 -3.4993 -3.4991 -3.0481 -3.0479 -3.0303 -3.0300 1.0582 1.0628 1.3230 1.3464 1.3620 1.3670 1.3885 1.4112 2.8292 2.8702 k =-0.3182 0.2076 0.3799 ( 13495 PWs) bands (ev): -7.5008 -7.5007 -7.4995 -7.4994 -7.4932 -7.4931 -7.4929 -7.4928 -7.4908 -7.4901 -7.4882 -7.4879 -7.4846 -7.4844 -7.4843 -7.4837 -5.6855 -5.6848 -5.6843 -5.6841 -5.6739 -5.6738 -5.6728 -5.6725 -5.6624 -5.6613 -5.6583 -5.6582 -5.6558 -5.6548 -5.6534 -5.6533 -5.6452 -5.6436 -5.6396 -5.6383 -5.6331 -5.6329 -5.6315 -5.6305 -3.7250 -3.7249 -3.4860 -3.4858 -3.0448 -3.0446 -3.0255 -3.0252 1.0792 1.0852 1.3361 1.3493 1.3563 1.3566 1.4476 1.4639 2.7866 2.8353 k =-0.3030 0.1977 0.3618 ( 13491 PWs) bands (ev): -7.5009 -7.5007 -7.4994 -7.4993 -7.4933 -7.4932 -7.4929 -7.4928 -7.4910 -7.4903 -7.4881 -7.4878 -7.4846 -7.4844 -7.4843 -7.4837 -5.6855 -5.6847 -5.6842 -5.6839 -5.6741 -5.6740 -5.6729 -5.6727 -5.6627 -5.6616 -5.6582 -5.6581 -5.6559 -5.6549 -5.6535 -5.6531 -5.6455 -5.6438 -5.6391 -5.6378 -5.6329 -5.6328 -5.6313 -5.6302 -3.7453 -3.7452 -3.4718 -3.4717 -3.0414 -3.0412 -3.0208 -3.0205 1.1008 1.1085 1.3337 1.3392 1.3480 1.3520 1.5275 1.5390 2.7378 2.7929 k =-0.2879 0.1878 0.3437 ( 13479 PWs) bands (ev): -7.5009 -7.5008 -7.4993 -7.4991 -7.4934 -7.4933 -7.4929 -7.4928 -7.4912 -7.4905 -7.4880 -7.4877 -7.4845 -7.4844 -7.4843 -7.4836 -5.6854 -5.6846 -5.6840 -5.6838 -5.6743 -5.6742 -5.6730 -5.6728 -5.6630 -5.6619 -5.6582 -5.6580 -5.6559 -5.6550 -5.6535 -5.6530 -5.6457 -5.6441 -5.6386 -5.6374 -5.6328 -5.6328 -5.6311 -5.6301 -3.7656 -3.7655 -3.4570 -3.4569 -3.0379 -3.0377 -3.0163 -3.0160 1.1225 1.1323 1.3291 1.3307 1.3416 1.3495 1.6138 1.6235 2.6830 2.7419 k =-0.2727 0.1779 0.3256 ( 13495 PWs) bands (ev): -7.5010 -7.5008 -7.4992 -7.4990 -7.4935 -7.4934 -7.4929 -7.4928 -7.4914 -7.4906 -7.4878 -7.4875 -7.4845 -7.4843 -7.4843 -7.4836 -5.6853 -5.6845 -5.6839 -5.6837 -5.6745 -5.6743 -5.6731 -5.6729 -5.6634 -5.6623 -5.6582 -5.6578 -5.6558 -5.6551 -5.6536 -5.6530 -5.6459 -5.6443 -5.6381 -5.6369 -5.6327 -5.6327 -5.6309 -5.6299 -3.7859 -3.7858 -3.4415 -3.4414 -3.0343 -3.0341 -3.0121 -3.0118 1.1437 1.1561 1.3241 1.3251 1.3383 1.3502 1.7047 1.7140 2.6229 2.6820 k =-0.2576 0.1680 0.3075 ( 13497 PWs) bands (ev): -7.5010 -7.5009 -7.4990 -7.4988 -7.4936 -7.4934 -7.4929 -7.4928 -7.4916 -7.4908 -7.4877 -7.4874 -7.4845 -7.4843 -7.4843 -7.4835 -5.6853 -5.6844 -5.6838 -5.6836 -5.6747 -5.6744 -5.6731 -5.6730 -5.6638 -5.6626 -5.6582 -5.6577 -5.6558 -5.6551 -5.6537 -5.6530 -5.6461 -5.6446 -5.6375 -5.6363 -5.6327 -5.6326 -5.6308 -5.6298 -3.8060 -3.8059 -3.4255 -3.4253 -3.0308 -3.0306 -3.0083 -3.0079 1.1639 1.1792 1.3196 1.3224 1.3389 1.3549 1.7996 1.8092 2.5589 2.6151 k =-0.2424 0.1582 0.2895 ( 13477 PWs) bands (ev): -7.5011 -7.5009 -7.4989 -7.4987 -7.4937 -7.4935 -7.4929 -7.4927 -7.4917 -7.4910 -7.4875 -7.4873 -7.4845 -7.4843 -7.4843 -7.4835 -5.6852 -5.6844 -5.6837 -5.6835 -5.6749 -5.6745 -5.6732 -5.6731 -5.6642 -5.6630 -5.6582 -5.6576 -5.6557 -5.6551 -5.6538 -5.6530 -5.6463 -5.6448 -5.6369 -5.6358 -5.6327 -5.6326 -5.6307 -5.6298 -3.8257 -3.8256 -3.4090 -3.4089 -3.0273 -3.0271 -3.0048 -3.0044 1.1827 1.2008 1.3174 1.3212 1.3442 1.3640 1.8977 1.9082 2.4927 2.5441 k =-0.2273 0.1483 0.2714 ( 13481 PWs) bands (ev): -7.5012 -7.5010 -7.4988 -7.4985 -7.4938 -7.4937 -7.4929 -7.4927 -7.4919 -7.4911 -7.4874 -7.4871 -7.4845 -7.4843 -7.4843 -7.4835 -5.6851 -5.6843 -5.6837 -5.6834 -5.6750 -5.6746 -5.6731 -5.6731 -5.6646 -5.6634 -5.6581 -5.6575 -5.6557 -5.6552 -5.6538 -5.6531 -5.6464 -5.6450 -5.6364 -5.6353 -5.6327 -5.6325 -5.6307 -5.6297 -3.8449 -3.8448 -3.3923 -3.3922 -3.0239 -3.0237 -3.0016 -3.0013 1.2000 1.2202 1.3173 1.3219 1.3546 1.3772 1.9978 2.0102 2.4263 2.4723 k =-0.2121 0.1384 0.2533 ( 13491 PWs) bands (ev): -7.5012 -7.5011 -7.4987 -7.4984 -7.4939 -7.4938 -7.4929 -7.4926 -7.4920 -7.4912 -7.4873 -7.4870 -7.4845 -7.4843 -7.4843 -7.4835 -5.6850 -5.6842 -5.6836 -5.6833 -5.6751 -5.6746 -5.6731 -5.6731 -5.6650 -5.6638 -5.6581 -5.6574 -5.6556 -5.6552 -5.6539 -5.6532 -5.6465 -5.6452 -5.6358 -5.6349 -5.6328 -5.6325 -5.6306 -5.6297 -3.8634 -3.8633 -3.3754 -3.3753 -3.0205 -3.0203 -2.9989 -2.9985 1.2160 1.2373 1.3195 1.3246 1.3698 1.3940 2.0981 2.1139 2.3621 2.4024 k =-0.1970 0.1285 0.2352 ( 13485 PWs) bands (ev): -7.5013 -7.5011 -7.4986 -7.4983 -7.4940 -7.4939 -7.4929 -7.4926 -7.4921 -7.4914 -7.4871 -7.4869 -7.4845 -7.4843 -7.4843 -7.4835 -5.6849 -5.6842 -5.6836 -5.6833 -5.6752 -5.6746 -5.6730 -5.6730 -5.6654 -5.6642 -5.6580 -5.6574 -5.6556 -5.6552 -5.6539 -5.6534 -5.6465 -5.6454 -5.6353 -5.6345 -5.6329 -5.6325 -5.6306 -5.6296 -3.8811 -3.8811 -3.3585 -3.3584 -3.0173 -3.0171 -2.9966 -2.9962 1.2310 1.2524 1.3239 1.3292 1.3889 1.4134 2.1926 2.2157 2.3061 2.3387 k =-0.1818 0.1186 0.2171 ( 13463 PWs) bands (ev): -7.5014 -7.5012 -7.4985 -7.4982 -7.4941 -7.4940 -7.4928 -7.4925 -7.4922 -7.4915 -7.4870 -7.4868 -7.4845 -7.4843 -7.4843 -7.4835 -5.6848 -5.6841 -5.6836 -5.6832 -5.6752 -5.6745 -5.6730 -5.6729 -5.6659 -5.6646 -5.6579 -5.6573 -5.6555 -5.6552 -5.6540 -5.6535 -5.6466 -5.6456 -5.6348 -5.6342 -5.6330 -5.6324 -5.6305 -5.6296 -3.8980 -3.8979 -3.3417 -3.3416 -3.0142 -3.0140 -2.9948 -2.9944 1.2457 1.2663 1.3303 1.3357 1.4105 1.4343 2.2203 2.2561 2.3176 2.3408 k =-0.1667 0.1087 0.1990 ( 13451 PWs) bands (ev): -7.5014 -7.5013 -7.4984 -7.4981 -7.4942 -7.4941 -7.4928 -7.4925 -7.4923 -7.4915 -7.4869 -7.4866 -7.4845 -7.4843 -7.4842 -7.4835 -5.6847 -5.6841 -5.6836 -5.6832 -5.6752 -5.6745 -5.6729 -5.6727 -5.6663 -5.6649 -5.6577 -5.6573 -5.6555 -5.6552 -5.6540 -5.6537 -5.6466 -5.6458 -5.6345 -5.6340 -5.6331 -5.6324 -5.6304 -5.6295 -3.9138 -3.9137 -3.3253 -3.3251 -3.0113 -3.0112 -2.9934 -2.9930 1.2603 1.2794 1.3385 1.3440 1.4333 1.4553 2.1755 2.2058 2.3980 2.4360 k =-0.1515 0.0988 0.1809 ( 13463 PWs) bands (ev): -7.5015 -7.5014 -7.4983 -7.4980 -7.4944 -7.4943 -7.4927 -7.4924 -7.4923 -7.4916 -7.4868 -7.4865 -7.4846 -7.4843 -7.4842 -7.4835 -5.6846 -5.6841 -5.6836 -5.6832 -5.6752 -5.6745 -5.6728 -5.6726 -5.6667 -5.6653 -5.6576 -5.6573 -5.6554 -5.6552 -5.6540 -5.6539 -5.6466 -5.6459 -5.6342 -5.6339 -5.6333 -5.6323 -5.6303 -5.6294 -3.9285 -3.9284 -3.3092 -3.3091 -3.0086 -3.0085 -2.9924 -2.9920 1.2750 1.2922 1.3484 1.3539 1.4559 1.4755 2.1300 2.1556 2.4671 2.5275 k =-0.1364 0.0890 0.1628 ( 13457 PWs) bands (ev): -7.5016 -7.5014 -7.4982 -7.4979 -7.4945 -7.4944 -7.4926 -7.4923 -7.4923 -7.4917 -7.4867 -7.4864 -7.4846 -7.4844 -7.4842 -7.4835 -5.6846 -5.6841 -5.6836 -5.6832 -5.6752 -5.6744 -5.6727 -5.6724 -5.6670 -5.6656 -5.6574 -5.6573 -5.6554 -5.6552 -5.6540 -5.6540 -5.6466 -5.6460 -5.6340 -5.6340 -5.6334 -5.6323 -5.6300 -5.6293 -3.9420 -3.9420 -3.2938 -3.2937 -3.0061 -3.0060 -2.9918 -2.9915 1.2899 1.3047 1.3596 1.3652 1.4773 1.4937 2.0904 2.1115 2.5091 2.5790 k =-0.1212 0.0791 0.1447 ( 13453 PWs) bands (ev): -7.5016 -7.5015 -7.4981 -7.4978 -7.4946 -7.4945 -7.4926 -7.4923 -7.4923 -7.4917 -7.4866 -7.4864 -7.4846 -7.4844 -7.4842 -7.4836 -5.6845 -5.6840 -5.6836 -5.6832 -5.6751 -5.6744 -5.6727 -5.6723 -5.6673 -5.6659 -5.6573 -5.6573 -5.6553 -5.6552 -5.6542 -5.6539 -5.6466 -5.6462 -5.6340 -5.6339 -5.6335 -5.6324 -5.6297 -5.6291 -3.9543 -3.9543 -3.2793 -3.2791 -3.0039 -3.0037 -2.9916 -2.9913 1.3044 1.3165 1.3719 1.3776 1.4968 1.5094 2.0582 2.0746 2.5248 2.5702 k =-0.1061 0.0692 0.1266 ( 13449 PWs) bands (ev): -7.5017 -7.5016 -7.4980 -7.4978 -7.4947 -7.4946 -7.4925 -7.4923 -7.4922 -7.4918 -7.4865 -7.4863 -7.4846 -7.4844 -7.4841 -7.4836 -5.6844 -5.6840 -5.6836 -5.6832 -5.6751 -5.6743 -5.6726 -5.6721 -5.6675 -5.6662 -5.6573 -5.6571 -5.6553 -5.6551 -5.6543 -5.6539 -5.6466 -5.6463 -5.6342 -5.6339 -5.6337 -5.6326 -5.6294 -5.6289 -3.9653 -3.9653 -3.2657 -3.2655 -3.0019 -3.0017 -2.9917 -2.9914 1.3182 1.3274 1.3848 1.3907 1.5139 1.5222 2.0334 2.0453 2.5251 2.5474 k =-0.0909 0.0593 0.1085 ( 13457 PWs) bands (ev): -7.5018 -7.5016 -7.4980 -7.4978 -7.4948 -7.4947 -7.4924 -7.4923 -7.4922 -7.4918 -7.4864 -7.4863 -7.4846 -7.4844 -7.4841 -7.4836 -5.6843 -5.6840 -5.6836 -5.6832 -5.6750 -5.6743 -5.6725 -5.6720 -5.6677 -5.6665 -5.6573 -5.6570 -5.6552 -5.6551 -5.6544 -5.6539 -5.6466 -5.6464 -5.6343 -5.6339 -5.6338 -5.6327 -5.6291 -5.6286 -3.9749 -3.9749 -3.2533 -3.2532 -3.0001 -3.0000 -2.9921 -2.9919 1.3306 1.3368 1.3980 1.4041 1.5282 1.5322 2.0158 2.0233 2.5185 2.5242 k =-0.0758 0.0494 0.0905 ( 13467 PWs) bands (ev): -7.5018 -7.5017 -7.4979 -7.4977 -7.4949 -7.4948 -7.4924 -7.4923 -7.4921 -7.4919 -7.4864 -7.4862 -7.4846 -7.4844 -7.4841 -7.4837 -5.6843 -5.6841 -5.6836 -5.6832 -5.6749 -5.6743 -5.6724 -5.6720 -5.6678 -5.6667 -5.6573 -5.6570 -5.6551 -5.6551 -5.6544 -5.6539 -5.6466 -5.6464 -5.6344 -5.6340 -5.6339 -5.6329 -5.6288 -5.6284 -3.9832 -3.9831 -3.2424 -3.2423 -2.9986 -2.9985 -2.9927 -2.9925 1.3410 1.3444 1.4111 1.4171 1.5397 1.5401 2.0043 2.0081 2.5031 2.5094 k =-0.0606 0.0395 0.0724 ( 13457 PWs) bands (ev): -7.5018 -7.5018 -7.4979 -7.4977 -7.4949 -7.4949 -7.4923 -7.4922 -7.4921 -7.4919 -7.4863 -7.4862 -7.4846 -7.4844 -7.4841 -7.4837 -5.6842 -5.6841 -5.6835 -5.6832 -5.6748 -5.6743 -5.6724 -5.6720 -5.6679 -5.6669 -5.6572 -5.6570 -5.6550 -5.6550 -5.6545 -5.6539 -5.6466 -5.6465 -5.6345 -5.6341 -5.6339 -5.6331 -5.6285 -5.6283 -3.9899 -3.9899 -3.2331 -3.2330 -2.9973 -2.9972 -2.9934 -2.9932 1.3489 1.3502 1.4236 1.4292 1.5464 1.5486 1.9975 1.9984 2.4854 2.4999 k =-0.0455 0.0297 0.0543 ( 13469 PWs) bands (ev): -7.5019 -7.5018 -7.4978 -7.4977 -7.4950 -7.4950 -7.4923 -7.4922 -7.4921 -7.4919 -7.4863 -7.4862 -7.4846 -7.4844 -7.4840 -7.4838 -5.6842 -5.6841 -5.6835 -5.6833 -5.6747 -5.6743 -5.6723 -5.6720 -5.6679 -5.6671 -5.6572 -5.6570 -5.6550 -5.6549 -5.6545 -5.6540 -5.6466 -5.6465 -5.6345 -5.6342 -5.6339 -5.6333 -5.6283 -5.6281 -3.9952 -3.9952 -3.2256 -3.2255 -2.9963 -2.9963 -2.9940 -2.9939 1.3543 1.3543 1.4347 1.4395 1.5516 1.5550 1.9929 1.9937 2.4720 2.4910 k =-0.0303 0.0198 0.0362 ( 13475 PWs) bands (ev): -7.5019 -7.5018 -7.4978 -7.4977 -7.4950 -7.4950 -7.4922 -7.4921 -7.4921 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4840 -7.4838 -5.6842 -5.6841 -5.6835 -5.6833 -5.6746 -5.6743 -5.6722 -5.6720 -5.6678 -5.6673 -5.6572 -5.6570 -5.6549 -5.6548 -5.6545 -5.6541 -5.6466 -5.6466 -5.6346 -5.6344 -5.6339 -5.6335 -5.6281 -5.6280 -3.9990 -3.9990 -3.2201 -3.2200 -2.9956 -2.9956 -2.9946 -2.9945 1.3570 1.3574 1.4438 1.4473 1.5559 1.5591 1.9904 1.9917 2.4638 2.4822 k =-0.0152 0.0099 0.0181 ( 13467 PWs) bands (ev): -7.5019 -7.5019 -7.4977 -7.4977 -7.4950 -7.4950 -7.4922 -7.4921 -7.4921 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6842 -5.6841 -5.6834 -5.6833 -5.6745 -5.6744 -5.6722 -5.6720 -5.6677 -5.6674 -5.6572 -5.6571 -5.6548 -5.6548 -5.6544 -5.6541 -5.6466 -5.6466 -5.6346 -5.6345 -5.6339 -5.6337 -5.6280 -5.6279 -4.0013 -4.0013 -3.2167 -3.2167 -2.9953 -2.9952 -2.9949 -2.9948 1.3586 1.3589 1.4500 1.4518 1.5592 1.5611 1.9897 1.9907 2.4614 2.4726 k = 0.0000 0.0000 0.0000 ( 13489 PWs) bands (ev): -7.5019 -7.5019 -7.4977 -7.4977 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6842 -5.6842 -5.6834 -5.6834 -5.6745 -5.6745 -5.6721 -5.6721 -5.6676 -5.6676 -5.6571 -5.6571 -5.6548 -5.6548 -5.6543 -5.6543 -5.6466 -5.6466 -5.6345 -5.6345 -5.6338 -5.6338 -5.6279 -5.6279 -4.0021 -4.0021 -3.2156 -3.2156 -2.9952 -2.9952 -2.9949 -2.9949 1.3592 1.3592 1.4528 1.4528 1.5610 1.5610 1.9900 1.9900 2.4647 2.4647 k = 0.0000 0.0000 0.0000 ( 13489 PWs) bands (ev): -7.5019 -7.5019 -7.4977 -7.4977 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6842 -5.6842 -5.6834 -5.6834 -5.6745 -5.6745 -5.6721 -5.6721 -5.6676 -5.6676 -5.6571 -5.6571 -5.6548 -5.6548 -5.6543 -5.6543 -5.6466 -5.6466 -5.6345 -5.6345 -5.6338 -5.6338 -5.6279 -5.6279 -4.0021 -4.0021 -3.2156 -3.2156 -2.9952 -2.9952 -2.9949 -2.9949 1.3592 1.3592 1.4528 1.4528 1.5610 1.5610 1.9900 1.9900 2.4647 2.4647 k = 0.0140 0.0215-0.0000 ( 13461 PWs) bands (ev): -7.5018 -7.5018 -7.4977 -7.4977 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4862 -7.4862 -7.4845 -7.4845 -7.4839 -7.4839 -5.6841 -5.6841 -5.6834 -5.6834 -5.6744 -5.6744 -5.6720 -5.6720 -5.6675 -5.6675 -5.6571 -5.6571 -5.6549 -5.6549 -5.6542 -5.6542 -5.6467 -5.6467 -5.6347 -5.6347 -5.6338 -5.6338 -5.6279 -5.6279 -4.0010 -4.0010 -3.2150 -3.2150 -2.9967 -2.9967 -2.9964 -2.9964 1.3603 1.3603 1.4557 1.4557 1.5640 1.5640 1.9919 1.9919 2.4411 2.4411 k = 0.0280 0.0430-0.0000 ( 13453 PWs) bands (ev): -7.5017 -7.5017 -7.4976 -7.4976 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4863 -7.4863 -7.4846 -7.4846 -7.4839 -7.4839 -5.6840 -5.6840 -5.6833 -5.6833 -5.6742 -5.6742 -5.6717 -5.6717 -5.6674 -5.6674 -5.6571 -5.6571 -5.6550 -5.6550 -5.6542 -5.6542 -5.6468 -5.6468 -5.6353 -5.6353 -5.6338 -5.6338 -5.6278 -5.6278 -3.9979 -3.9979 -3.2130 -3.2130 -3.0011 -3.0011 -3.0009 -3.0009 1.3634 1.3634 1.4645 1.4645 1.5728 1.5728 1.9977 1.9977 2.3941 2.3941 k = 0.0421 0.0645-0.0000 ( 13465 PWs) bands (ev): -7.5016 -7.5016 -7.4975 -7.4975 -7.4950 -7.4950 -7.4921 -7.4921 -7.4920 -7.4920 -7.4864 -7.4864 -7.4847 -7.4847 -7.4840 -7.4840 -5.6838 -5.6838 -5.6831 -5.6831 -5.6740 -5.6740 -5.6712 -5.6712 -5.6671 -5.6671 -5.6571 -5.6571 -5.6553 -5.6553 -5.6541 -5.6541 -5.6471 -5.6471 -5.6361 -5.6361 -5.6339 -5.6339 -5.6277 -5.6277 -3.9927 -3.9927 -3.2099 -3.2099 -3.0085 -3.0085 -3.0082 -3.0082 1.3688 1.3688 1.4786 1.4786 1.5866 1.5866 2.0068 2.0068 2.3409 2.3409 k = 0.0561 0.0860-0.0000 ( 13485 PWs) bands (ev): -7.5014 -7.5014 -7.4973 -7.4973 -7.4951 -7.4951 -7.4920 -7.4920 -7.4920 -7.4920 -7.4865 -7.4865 -7.4848 -7.4848 -7.4841 -7.4841 -5.6835 -5.6835 -5.6828 -5.6828 -5.6737 -5.6737 -5.6705 -5.6705 -5.6667 -5.6667 -5.6571 -5.6571 -5.6556 -5.6556 -5.6541 -5.6541 -5.6475 -5.6475 -5.6372 -5.6372 -5.6341 -5.6341 -5.6277 -5.6277 -3.9854 -3.9854 -3.2054 -3.2054 -3.0186 -3.0186 -3.0183 -3.0183 1.3766 1.3766 1.4975 1.4975 1.6039 1.6039 2.0185 2.0185 2.2883 2.2883 k = 0.0701 0.1075-0.0000 ( 13485 PWs) bands (ev): -7.5011 -7.5011 -7.4971 -7.4971 -7.4951 -7.4951 -7.4920 -7.4920 -7.4920 -7.4920 -7.4867 -7.4867 -7.4850 -7.4850 -7.4842 -7.4842 -5.6831 -5.6831 -5.6824 -5.6824 -5.6733 -5.6733 -5.6697 -5.6697 -5.6663 -5.6663 -5.6570 -5.6570 -5.6559 -5.6559 -5.6540 -5.6540 -5.6479 -5.6479 -5.6384 -5.6384 -5.6344 -5.6344 -5.6277 -5.6277 -3.9760 -3.9760 -3.1998 -3.1998 -3.0313 -3.0313 -3.0311 -3.0311 1.3868 1.3868 1.5199 1.5199 1.6225 1.6225 2.0306 2.0306 2.2410 2.2410 k = 0.0841 0.1290-0.0000 ( 13457 PWs) bands (ev): -7.5007 -7.5007 -7.4969 -7.4969 -7.4951 -7.4951 -7.4920 -7.4920 -7.4919 -7.4919 -7.4870 -7.4870 -7.4852 -7.4852 -7.4843 -7.4843 -5.6827 -5.6827 -5.6820 -5.6820 -5.6729 -5.6729 -5.6687 -5.6687 -5.6657 -5.6657 -5.6570 -5.6570 -5.6562 -5.6562 -5.6540 -5.6540 -5.6484 -5.6484 -5.6398 -5.6398 -5.6348 -5.6348 -5.6278 -5.6278 -3.9646 -3.9646 -3.1930 -3.1930 -3.0465 -3.0465 -3.0462 -3.0462 1.3995 1.3995 1.5445 1.5445 1.6389 1.6389 2.0386 2.0386 2.2037 2.2037 k = 0.0982 0.1505-0.0000 ( 13449 PWs) bands (ev): -7.5003 -7.5003 -7.4966 -7.4966 -7.4951 -7.4951 -7.4920 -7.4920 -7.4918 -7.4918 -7.4873 -7.4873 -7.4854 -7.4854 -7.4844 -7.4844 -5.6821 -5.6821 -5.6814 -5.6814 -5.6726 -5.6726 -5.6677 -5.6677 -5.6652 -5.6652 -5.6569 -5.6569 -5.6565 -5.6565 -5.6540 -5.6540 -5.6490 -5.6490 -5.6413 -5.6413 -5.6352 -5.6352 -5.6281 -5.6281 -3.9512 -3.9512 -3.1850 -3.1850 -3.0638 -3.0638 -3.0636 -3.0636 1.4147 1.4147 1.5690 1.5690 1.6489 1.6489 2.0353 2.0353 2.1814 2.1814 k = 0.1122 0.1720-0.0000 ( 13449 PWs) bands (ev): -7.4999 -7.4999 -7.4963 -7.4963 -7.4951 -7.4951 -7.4920 -7.4920 -7.4917 -7.4917 -7.4876 -7.4876 -7.4857 -7.4857 -7.4846 -7.4846 -5.6815 -5.6815 -5.6807 -5.6807 -5.6722 -5.6722 -5.6665 -5.6665 -5.6646 -5.6646 -5.6569 -5.6569 -5.6567 -5.6567 -5.6540 -5.6540 -5.6496 -5.6496 -5.6429 -5.6429 -5.6357 -5.6357 -5.6284 -5.6284 -3.9358 -3.9358 -3.1760 -3.1760 -3.0831 -3.0831 -3.0829 -3.0829 1.4323 1.4323 1.5899 1.5899 1.6487 1.6487 2.0186 2.0186 2.1786 2.1786 k = 0.1262 0.1935-0.0000 ( 13429 PWs) bands (ev): -7.4994 -7.4994 -7.4959 -7.4959 -7.4951 -7.4951 -7.4920 -7.4920 -7.4916 -7.4916 -7.4879 -7.4879 -7.4860 -7.4860 -7.4847 -7.4847 -5.6807 -5.6807 -5.6799 -5.6799 -5.6719 -5.6719 -5.6654 -5.6654 -5.6642 -5.6641 -5.6570 -5.6570 -5.6566 -5.6566 -5.6540 -5.6540 -5.6501 -5.6501 -5.6445 -5.6445 -5.6363 -5.6363 -5.6289 -5.6289 -3.9184 -3.9184 -3.1660 -3.1660 -3.1042 -3.1042 -3.1039 -3.1039 1.4520 1.4520 1.6008 1.6008 1.6383 1.6383 1.9975 1.9975 2.1972 2.1972 k = 0.1402 0.2150-0.0000 ( 13441 PWs) bands (ev): -7.4988 -7.4988 -7.4956 -7.4956 -7.4951 -7.4950 -7.4920 -7.4920 -7.4915 -7.4915 -7.4882 -7.4882 -7.4863 -7.4863 -7.4849 -7.4849 -5.6799 -5.6799 -5.6790 -5.6790 -5.6716 -5.6716 -5.6643 -5.6643 -5.6638 -5.6638 -5.6570 -5.6570 -5.6563 -5.6563 -5.6539 -5.6539 -5.6507 -5.6507 -5.6462 -5.6462 -5.6370 -5.6370 -5.6295 -5.6295 -3.8990 -3.8990 -3.1550 -3.1550 -3.1266 -3.1266 -3.1264 -3.1264 1.4736 1.4736 1.5905 1.5905 1.6254 1.6254 1.9839 1.9839 2.2359 2.2359 k = 0.1543 0.2365-0.0000 ( 13449 PWs) bands (ev): -7.4983 -7.4983 -7.4954 -7.4954 -7.4950 -7.4950 -7.4920 -7.4920 -7.4914 -7.4914 -7.4885 -7.4885 -7.4866 -7.4866 -7.4851 -7.4851 -5.6790 -5.6790 -5.6780 -5.6780 -5.6714 -5.6714 -5.6639 -5.6639 -5.6631 -5.6631 -5.6569 -5.6569 -5.6559 -5.6559 -5.6538 -5.6538 -5.6512 -5.6512 -5.6479 -5.6479 -5.6378 -5.6378 -5.6303 -5.6303 -3.8778 -3.8778 -3.1503 -3.1503 -3.1501 -3.1501 -3.1432 -3.1432 1.4960 1.4960 1.5601 1.5601 1.6096 1.6096 1.9849 1.9849 2.2914 2.2914 k = 0.1683 0.2580-0.0000 ( 13441 PWs) bands (ev): -7.4977 -7.4977 -7.4953 -7.4953 -7.4947 -7.4947 -7.4921 -7.4921 -7.4913 -7.4913 -7.4888 -7.4888 -7.4870 -7.4870 -7.4853 -7.4853 -5.6781 -5.6781 -5.6769 -5.6769 -5.6713 -5.6713 -5.6641 -5.6641 -5.6623 -5.6623 -5.6566 -5.6566 -5.6554 -5.6554 -5.6536 -5.6536 -5.6517 -5.6517 -5.6493 -5.6493 -5.6386 -5.6386 -5.6311 -5.6311 -3.8547 -3.8547 -3.1748 -3.1748 -3.1746 -3.1746 -3.1307 -3.1307 1.5090 1.5090 1.5286 1.5286 1.5861 1.5861 2.0014 2.0014 2.3599 2.3599 k = 0.1823 0.2795-0.0000 ( 13469 PWs) bands (ev): -7.4970 -7.4970 -7.4952 -7.4952 -7.4944 -7.4944 -7.4922 -7.4922 -7.4912 -7.4912 -7.4891 -7.4891 -7.4873 -7.4873 -7.4856 -7.4856 -5.6770 -5.6770 -5.6758 -5.6758 -5.6714 -5.6714 -5.6643 -5.6643 -5.6617 -5.6617 -5.6564 -5.6564 -5.6549 -5.6549 -5.6534 -5.6533 -5.6525 -5.6525 -5.6501 -5.6501 -5.6395 -5.6395 -5.6320 -5.6320 -3.8298 -3.8298 -3.2000 -3.2000 -3.1998 -3.1998 -3.1175 -3.1175 1.4721 1.4721 1.5242 1.5242 1.5738 1.5738 2.0304 2.0304 2.4378 2.4378 k = 0.1963 0.3010-0.0000 ( 13474 PWs) bands (ev): -7.4964 -7.4964 -7.4953 -7.4952 -7.4942 -7.4942 -7.4923 -7.4923 -7.4912 -7.4912 -7.4893 -7.4893 -7.4875 -7.4875 -7.4858 -7.4858 -5.6760 -5.6760 -5.6746 -5.6746 -5.6716 -5.6716 -5.6645 -5.6645 -5.6614 -5.6614 -5.6562 -5.6562 -5.6546 -5.6546 -5.6537 -5.6537 -5.6530 -5.6530 -5.6497 -5.6497 -5.6404 -5.6404 -5.6331 -5.6331 -3.8032 -3.8032 -3.2256 -3.2256 -3.2254 -3.2254 -3.1039 -3.1039 1.4265 1.4265 1.4907 1.4907 1.5930 1.5930 2.0680 2.0680 2.5218 2.5218 k = 0.2104 0.3225-0.0000 ( 13482 PWs) bands (ev): -7.4958 -7.4958 -7.4953 -7.4953 -7.4940 -7.4940 -7.4926 -7.4926 -7.4912 -7.4912 -7.4893 -7.4893 -7.4877 -7.4877 -7.4860 -7.4860 -5.6749 -5.6749 -5.6734 -5.6734 -5.6720 -5.6720 -5.6647 -5.6647 -5.6615 -5.6615 -5.6563 -5.6563 -5.6552 -5.6552 -5.6544 -5.6544 -5.6522 -5.6522 -5.6487 -5.6487 -5.6413 -5.6413 -5.6342 -5.6342 -3.7749 -3.7749 -3.2514 -3.2514 -3.2512 -3.2512 -3.0899 -3.0899 1.3803 1.3803 1.4472 1.4472 1.6208 1.6208 2.1115 2.1115 2.6067 2.6067 k = 0.2244 0.3440-0.0000 ( 13474 PWs) bands (ev): -7.4954 -7.4953 -7.4951 -7.4951 -7.4939 -7.4939 -7.4928 -7.4928 -7.4912 -7.4912 -7.4893 -7.4893 -7.4879 -7.4879 -7.4863 -7.4863 -5.6739 -5.6739 -5.6730 -5.6730 -5.6718 -5.6718 -5.6648 -5.6648 -5.6618 -5.6618 -5.6568 -5.6568 -5.6557 -5.6557 -5.6547 -5.6547 -5.6513 -5.6513 -5.6475 -5.6475 -5.6422 -5.6422 -5.6353 -5.6353 -3.7451 -3.7451 -3.2771 -3.2771 -3.2769 -3.2769 -3.0757 -3.0757 1.3347 1.3347 1.4015 1.4015 1.6504 1.6504 2.1592 2.1592 2.6811 2.6811 k = 0.2384 0.3654-0.0000 ( 13494 PWs) bands (ev): -7.4954 -7.4954 -7.4946 -7.4946 -7.4938 -7.4938 -7.4931 -7.4931 -7.4911 -7.4911 -7.4893 -7.4893 -7.4880 -7.4880 -7.4865 -7.4865 -5.6736 -5.6736 -5.6729 -5.6729 -5.6707 -5.6707 -5.6649 -5.6649 -5.6624 -5.6624 -5.6574 -5.6574 -5.6560 -5.6560 -5.6548 -5.6548 -5.6504 -5.6504 -5.6461 -5.6461 -5.6429 -5.6429 -5.6365 -5.6365 -3.7137 -3.7137 -3.3026 -3.3026 -3.3024 -3.3024 -3.0616 -3.0616 1.2905 1.2905 1.3557 1.3557 1.6798 1.6798 2.2101 2.2101 2.7179 2.7179 k = 0.2524 0.3869-0.0000 ( 13510 PWs) bands (ev): -7.4955 -7.4955 -7.4944 -7.4944 -7.4938 -7.4938 -7.4931 -7.4930 -7.4910 -7.4910 -7.4892 -7.4892 -7.4879 -7.4879 -7.4867 -7.4867 -5.6745 -5.6745 -5.6720 -5.6720 -5.6698 -5.6698 -5.6649 -5.6649 -5.6631 -5.6631 -5.6579 -5.6579 -5.6562 -5.6562 -5.6548 -5.6548 -5.6498 -5.6498 -5.6449 -5.6449 -5.6433 -5.6433 -5.6377 -5.6377 -3.6810 -3.6810 -3.3277 -3.3277 -3.3275 -3.3275 -3.0476 -3.0476 1.2481 1.2481 1.3109 1.3109 1.7077 1.7077 2.2634 2.2634 2.6891 2.6891 k = 0.2665 0.4084-0.0000 ( 13502 PWs) bands (ev): -7.4956 -7.4956 -7.4946 -7.4946 -7.4940 -7.4940 -7.4926 -7.4926 -7.4909 -7.4909 -7.4892 -7.4892 -7.4879 -7.4879 -7.4869 -7.4869 -5.6754 -5.6754 -5.6714 -5.6714 -5.6693 -5.6693 -5.6647 -5.6647 -5.6635 -5.6635 -5.6583 -5.6583 -5.6564 -5.6564 -5.6547 -5.6546 -5.6495 -5.6495 -5.6441 -5.6441 -5.6429 -5.6429 -5.6388 -5.6388 -3.6471 -3.6471 -3.3521 -3.3521 -3.3519 -3.3519 -3.0340 -3.0340 1.2079 1.2079 1.2676 1.2676 1.7321 1.7321 2.3181 2.3181 2.6207 2.6207 k = 0.2805 0.4299-0.0000 ( 13514 PWs) bands (ev): -7.4959 -7.4959 -7.4950 -7.4950 -7.4941 -7.4941 -7.4921 -7.4921 -7.4907 -7.4907 -7.4892 -7.4892 -7.4880 -7.4879 -7.4869 -7.4869 -5.6764 -5.6764 -5.6714 -5.6714 -5.6693 -5.6693 -5.6641 -5.6641 -5.6635 -5.6635 -5.6586 -5.6586 -5.6566 -5.6566 -5.6543 -5.6542 -5.6497 -5.6497 -5.6438 -5.6438 -5.6418 -5.6418 -5.6397 -5.6397 -3.6120 -3.6120 -3.3758 -3.3758 -3.3756 -3.3756 -3.0211 -3.0211 1.1702 1.1702 1.2264 1.2264 1.7508 1.7508 2.3725 2.3725 2.5502 2.5502 k = 0.2945 0.4514-0.0000 ( 13522 PWs) bands (ev): -7.4962 -7.4962 -7.4955 -7.4955 -7.4942 -7.4942 -7.4915 -7.4915 -7.4905 -7.4905 -7.4891 -7.4891 -7.4881 -7.4881 -7.4867 -7.4867 -5.6774 -5.6774 -5.6721 -5.6721 -5.6692 -5.6692 -5.6636 -5.6636 -5.6630 -5.6630 -5.6591 -5.6591 -5.6566 -5.6566 -5.6537 -5.6536 -5.6502 -5.6502 -5.6437 -5.6437 -5.6410 -5.6410 -5.6398 -5.6398 -3.5759 -3.5759 -3.3986 -3.3986 -3.3984 -3.3984 -3.0089 -3.0089 1.1352 1.1352 1.1874 1.1874 1.7608 1.7608 2.4157 2.4157 2.4972 2.4972 k = 0.3085 0.4729-0.0000 ( 13538 PWs) bands (ev): -7.4966 -7.4966 -7.4959 -7.4959 -7.4943 -7.4943 -7.4911 -7.4911 -7.4902 -7.4902 -7.4891 -7.4891 -7.4883 -7.4883 -7.4864 -7.4864 -5.6784 -5.6784 -5.6733 -5.6733 -5.6692 -5.6692 -5.6633 -5.6633 -5.6621 -5.6621 -5.6596 -5.6596 -5.6565 -5.6565 -5.6529 -5.6529 -5.6508 -5.6508 -5.6441 -5.6441 -5.6406 -5.6406 -5.6389 -5.6389 -3.5391 -3.5391 -3.4204 -3.4204 -3.4202 -3.4202 -2.9979 -2.9979 1.1031 1.1032 1.1509 1.1509 1.7595 1.7595 2.3999 2.3999 2.4640 2.4640 k = 0.3226 0.4944-0.0000 ( 13506 PWs) bands (ev): -7.4970 -7.4970 -7.4964 -7.4964 -7.4943 -7.4943 -7.4908 -7.4908 -7.4897 -7.4897 -7.4890 -7.4890 -7.4885 -7.4885 -7.4862 -7.4862 -5.6793 -5.6793 -5.6747 -5.6747 -5.6693 -5.6693 -5.6629 -5.6629 -5.6615 -5.6615 -5.6600 -5.6600 -5.6562 -5.6562 -5.6523 -5.6523 -5.6511 -5.6511 -5.6448 -5.6448 -5.6400 -5.6400 -5.6378 -5.6378 -3.5016 -3.5016 -3.4410 -3.4410 -3.4408 -3.4408 -2.9883 -2.9883 1.0741 1.0741 1.1171 1.1171 1.7451 1.7451 2.3312 2.3312 2.4293 2.4293 k = 0.3366 0.5159-0.0000 ( 13498 PWs) bands (ev): -7.4974 -7.4974 -7.4969 -7.4969 -7.4943 -7.4943 -7.4907 -7.4907 -7.4893 -7.4893 -7.4889 -7.4889 -7.4887 -7.4887 -7.4859 -7.4859 -5.6803 -5.6803 -5.6761 -5.6761 -5.6695 -5.6695 -5.6626 -5.6626 -5.6615 -5.6615 -5.6601 -5.6601 -5.6557 -5.6556 -5.6523 -5.6523 -5.6506 -5.6506 -5.6456 -5.6456 -5.6393 -5.6393 -5.6367 -5.6367 -3.4638 -3.4638 -3.4604 -3.4604 -3.4601 -3.4601 -2.9802 -2.9802 1.0481 1.0481 1.0861 1.0861 1.7186 1.7186 2.2450 2.2450 2.4219 2.4219 k = 0.3506 0.5374-0.0000 ( 13498 PWs) bands (ev): -7.4979 -7.4979 -7.4974 -7.4974 -7.4942 -7.4942 -7.4906 -7.4906 -7.4892 -7.4891 -7.4890 -7.4890 -7.4884 -7.4884 -7.4856 -7.4856 -5.6811 -5.6811 -5.6774 -5.6774 -5.6699 -5.6698 -5.6625 -5.6625 -5.6618 -5.6618 -5.6600 -5.6600 -5.6551 -5.6551 -5.6523 -5.6523 -5.6499 -5.6499 -5.6462 -5.6462 -5.6386 -5.6386 -5.6358 -5.6358 -3.4785 -3.4785 -3.4783 -3.4783 -3.4255 -3.4255 -2.9740 -2.9740 1.0252 1.0252 1.0580 1.0580 1.6829 1.6829 2.1558 2.1558 2.4340 2.4340 k = 0.3646 0.5589-0.0000 ( 13498 PWs) bands (ev): -7.4983 -7.4983 -7.4979 -7.4979 -7.4941 -7.4941 -7.4906 -7.4906 -7.4892 -7.4892 -7.4890 -7.4890 -7.4879 -7.4879 -7.4853 -7.4853 -5.6819 -5.6819 -5.6787 -5.6787 -5.6702 -5.6702 -5.6632 -5.6632 -5.6615 -5.6615 -5.6599 -5.6599 -5.6549 -5.6549 -5.6518 -5.6518 -5.6495 -5.6495 -5.6463 -5.6463 -5.6380 -5.6380 -5.6350 -5.6350 -3.4951 -3.4951 -3.4950 -3.4950 -3.3873 -3.3873 -2.9699 -2.9699 1.0055 1.0055 1.0328 1.0328 1.6422 1.6422 2.0678 2.0678 2.4604 2.4604 k = 0.3787 0.5804-0.0000 ( 13494 PWs) bands (ev): -7.4987 -7.4987 -7.4983 -7.4983 -7.4940 -7.4940 -7.4907 -7.4907 -7.4892 -7.4892 -7.4890 -7.4890 -7.4874 -7.4874 -7.4850 -7.4850 -5.6826 -5.6826 -5.6799 -5.6799 -5.6707 -5.6707 -5.6641 -5.6641 -5.6611 -5.6611 -5.6599 -5.6599 -5.6551 -5.6551 -5.6508 -5.6508 -5.6497 -5.6497 -5.6457 -5.6457 -5.6374 -5.6374 -5.6343 -5.6343 -3.5103 -3.5103 -3.5102 -3.5102 -3.3493 -3.3493 -2.9680 -2.9680 0.9888 0.9888 1.0107 1.0107 1.6002 1.6002 1.9827 1.9827 2.4972 2.4972 k = 0.3927 0.6019-0.0000 ( 13498 PWs) bands (ev): -7.4991 -7.4991 -7.4988 -7.4988 -7.4939 -7.4939 -7.4908 -7.4908 -7.4892 -7.4892 -7.4890 -7.4890 -7.4870 -7.4870 -7.4848 -7.4848 -5.6833 -5.6833 -5.6810 -5.6810 -5.6711 -5.6711 -5.6651 -5.6651 -5.6607 -5.6607 -5.6599 -5.6599 -5.6553 -5.6553 -5.6503 -5.6503 -5.6496 -5.6496 -5.6447 -5.6447 -5.6369 -5.6369 -5.6337 -5.6337 -3.5239 -3.5239 -3.5238 -3.5238 -3.3118 -3.3118 -2.9687 -2.9687 0.9749 0.9749 0.9916 0.9916 1.5599 1.5599 1.9014 1.9014 2.5415 2.5415 k = 0.4067 0.6234-0.0000 ( 13486 PWs) bands (ev): -7.4994 -7.4994 -7.4991 -7.4991 -7.4938 -7.4938 -7.4910 -7.4910 -7.4892 -7.4892 -7.4889 -7.4889 -7.4865 -7.4865 -7.4846 -7.4846 -5.6839 -5.6839 -5.6820 -5.6820 -5.6714 -5.6714 -5.6661 -5.6661 -5.6604 -5.6604 -5.6598 -5.6598 -5.6555 -5.6555 -5.6509 -5.6508 -5.6483 -5.6483 -5.6438 -5.6438 -5.6365 -5.6365 -5.6333 -5.6333 -3.5360 -3.5360 -3.5359 -3.5359 -3.2750 -3.2750 -2.9721 -2.9721 0.9635 0.9635 0.9756 0.9756 1.5237 1.5237 1.8248 1.8248 2.5912 2.5912 k = 0.4207 0.6449-0.0000 ( 13462 PWs) bands (ev): -7.4997 -7.4997 -7.4995 -7.4995 -7.4937 -7.4937 -7.4913 -7.4913 -7.4892 -7.4892 -7.4889 -7.4889 -7.4861 -7.4861 -7.4845 -7.4845 -5.6844 -5.6844 -5.6828 -5.6828 -5.6717 -5.6717 -5.6671 -5.6671 -5.6603 -5.6603 -5.6597 -5.6597 -5.6556 -5.6556 -5.6515 -5.6515 -5.6471 -5.6471 -5.6429 -5.6429 -5.6361 -5.6361 -5.6331 -5.6331 -3.5465 -3.5465 -3.5464 -3.5464 -3.2393 -3.2393 -2.9783 -2.9783 0.9544 0.9544 0.9626 0.9626 1.4934 1.4934 1.7535 1.7535 2.6448 2.6448 k = 0.4347 0.6664-0.0000 ( 13442 PWs) bands (ev): -7.5000 -7.5000 -7.4998 -7.4998 -7.4935 -7.4935 -7.4915 -7.4915 -7.4891 -7.4891 -7.4889 -7.4889 -7.4857 -7.4857 -7.4844 -7.4844 -5.6848 -5.6848 -5.6836 -5.6836 -5.6719 -5.6719 -5.6680 -5.6680 -5.6601 -5.6601 -5.6596 -5.6596 -5.6556 -5.6556 -5.6520 -5.6520 -5.6459 -5.6459 -5.6421 -5.6421 -5.6358 -5.6358 -5.6329 -5.6329 -3.5553 -3.5553 -3.5552 -3.5552 -3.2047 -3.2047 -2.9874 -2.9874 0.9469 0.9469 0.9527 0.9527 1.4703 1.4703 1.6883 1.6883 2.7013 2.7013 k = 0.4488 0.6879-0.0000 ( 13430 PWs) bands (ev): -7.5002 -7.5002 -7.5000 -7.5000 -7.4933 -7.4933 -7.4918 -7.4918 -7.4891 -7.4891 -7.4889 -7.4889 -7.4854 -7.4854 -7.4844 -7.4844 -5.6851 -5.6851 -5.6842 -5.6842 -5.6720 -5.6720 -5.6689 -5.6689 -5.6601 -5.6601 -5.6596 -5.6596 -5.6555 -5.6555 -5.6526 -5.6526 -5.6448 -5.6448 -5.6416 -5.6416 -5.6354 -5.6354 -5.6329 -5.6329 -3.5624 -3.5624 -3.5624 -3.5624 -3.1718 -3.1718 -2.9994 -2.9994 0.9410 0.9410 0.9455 0.9455 1.4557 1.4557 1.6297 1.6297 2.7598 2.7598 k = 0.4628 0.7094-0.0000 ( 13442 PWs) bands (ev): -7.5003 -7.5003 -7.5002 -7.5002 -7.4932 -7.4932 -7.4920 -7.4920 -7.4890 -7.4890 -7.4889 -7.4889 -7.4851 -7.4851 -7.4843 -7.4843 -5.6853 -5.6853 -5.6847 -5.6847 -5.6720 -5.6720 -5.6697 -5.6697 -5.6600 -5.6600 -5.6596 -5.6596 -5.6553 -5.6553 -5.6531 -5.6531 -5.6438 -5.6438 -5.6414 -5.6414 -5.6350 -5.6350 -5.6330 -5.6330 -3.5678 -3.5678 -3.5678 -3.5678 -3.1406 -3.1406 -3.0145 -3.0145 0.9367 0.9367 0.9404 0.9404 1.4501 1.4501 1.5783 1.5783 2.8195 2.8195 k = 0.4628 0.7094-0.0000 ( 13442 PWs) bands (ev): -7.5003 -7.5003 -7.5002 -7.5002 -7.4932 -7.4932 -7.4920 -7.4920 -7.4890 -7.4890 -7.4889 -7.4889 -7.4851 -7.4851 -7.4843 -7.4843 -5.6853 -5.6853 -5.6847 -5.6847 -5.6720 -5.6720 -5.6697 -5.6697 -5.6600 -5.6600 -5.6596 -5.6596 -5.6553 -5.6553 -5.6531 -5.6531 -5.6438 -5.6438 -5.6414 -5.6414 -5.6350 -5.6350 -5.6330 -5.6330 -3.5678 -3.5678 -3.5678 -3.5678 -3.1406 -3.1406 -3.0145 -3.0145 0.9367 0.9367 0.9404 0.9404 1.4501 1.4501 1.5783 1.5783 2.8195 2.8195 k = 0.4552 0.6978 0.0213 ( 13437 PWs) bands (ev): -7.5003 -7.5003 -7.5001 -7.5001 -7.4933 -7.4933 -7.4919 -7.4919 -7.4891 -7.4891 -7.4889 -7.4889 -7.4853 -7.4852 -7.4844 -7.4843 -5.6852 -5.6851 -5.6844 -5.6844 -5.6721 -5.6720 -5.6693 -5.6693 -5.6601 -5.6600 -5.6596 -5.6595 -5.6555 -5.6555 -5.6529 -5.6528 -5.6445 -5.6442 -5.6415 -5.6414 -5.6352 -5.6352 -5.6330 -5.6329 -3.5654 -3.5654 -3.5653 -3.5653 -3.1569 -3.1569 -3.0059 -3.0059 0.9404 0.9405 0.9443 0.9448 1.4507 1.4514 1.6040 1.6041 2.7860 2.7889 k = 0.4476 0.6861 0.0426 ( 13458 PWs) bands (ev): -7.5002 -7.5001 -7.5000 -7.5000 -7.4934 -7.4934 -7.4918 -7.4917 -7.4891 -7.4891 -7.4889 -7.4889 -7.4854 -7.4854 -7.4844 -7.4843 -5.6852 -5.6849 -5.6842 -5.6841 -5.6722 -5.6719 -5.6689 -5.6689 -5.6602 -5.6601 -5.6596 -5.6594 -5.6556 -5.6555 -5.6527 -5.6524 -5.6451 -5.6447 -5.6418 -5.6416 -5.6354 -5.6353 -5.6330 -5.6327 -3.5629 -3.5629 -3.5627 -3.5627 -3.1730 -3.1730 -2.9980 -2.9980 0.9479 0.9480 0.9521 0.9530 1.4524 1.4540 1.6295 1.6296 2.7537 2.7596 k = 0.4400 0.6745 0.0640 ( 13467 PWs) bands (ev): -7.5001 -7.5000 -7.4999 -7.4998 -7.4935 -7.4935 -7.4917 -7.4916 -7.4892 -7.4891 -7.4889 -7.4889 -7.4856 -7.4855 -7.4844 -7.4843 -5.6851 -5.6846 -5.6839 -5.6837 -5.6722 -5.6719 -5.6686 -5.6685 -5.6603 -5.6602 -5.6596 -5.6593 -5.6557 -5.6556 -5.6526 -5.6521 -5.6457 -5.6451 -5.6420 -5.6419 -5.6356 -5.6353 -5.6330 -5.6327 -3.5604 -3.5604 -3.5601 -3.5601 -3.1888 -3.1888 -2.9911 -2.9911 0.9589 0.9590 0.9638 0.9651 1.4552 1.4580 1.6545 1.6547 2.7229 2.7319 k = 0.4324 0.6628 0.0853 ( 13468 PWs) bands (ev): -7.5000 -7.4998 -7.4997 -7.4997 -7.4936 -7.4936 -7.4916 -7.4914 -7.4893 -7.4891 -7.4889 -7.4889 -7.4858 -7.4857 -7.4845 -7.4843 -5.6850 -5.6844 -5.6836 -5.6833 -5.6722 -5.6718 -5.6682 -5.6682 -5.6603 -5.6603 -5.6596 -5.6593 -5.6557 -5.6556 -5.6524 -5.6518 -5.6464 -5.6455 -5.6424 -5.6423 -5.6357 -5.6353 -5.6330 -5.6326 -3.5580 -3.5580 -3.5574 -3.5573 -3.2042 -3.2042 -2.9852 -2.9852 0.9729 0.9734 0.9796 0.9812 1.4594 1.4634 1.6790 1.6792 2.6935 2.7058 k = 0.4248 0.6512 0.1066 ( 13467 PWs) bands (ev): -7.4999 -7.4997 -7.4995 -7.4995 -7.4937 -7.4936 -7.4916 -7.4913 -7.4894 -7.4892 -7.4889 -7.4889 -7.4859 -7.4859 -7.4845 -7.4843 -5.6848 -5.6840 -5.6832 -5.6828 -5.6722 -5.6717 -5.6678 -5.6678 -5.6605 -5.6603 -5.6595 -5.6593 -5.6558 -5.6555 -5.6523 -5.6515 -5.6469 -5.6460 -5.6429 -5.6427 -5.6359 -5.6352 -5.6330 -5.6325 -3.5556 -3.5556 -3.5546 -3.5545 -3.2189 -3.2189 -2.9806 -2.9805 0.9898 0.9911 0.9994 1.0011 1.4650 1.4706 1.7028 1.7029 2.6660 2.6816 k = 0.4172 0.6395 0.1279 ( 13469 PWs) bands (ev): -7.4997 -7.4995 -7.4993 -7.4993 -7.4938 -7.4937 -7.4915 -7.4912 -7.4895 -7.4892 -7.4890 -7.4889 -7.4861 -7.4860 -7.4846 -7.4844 -5.6846 -5.6837 -5.6829 -5.6823 -5.6721 -5.6715 -5.6675 -5.6675 -5.6607 -5.6604 -5.6595 -5.6593 -5.6558 -5.6554 -5.6522 -5.6514 -5.6474 -5.6465 -5.6434 -5.6430 -5.6361 -5.6351 -5.6331 -5.6325 -3.5533 -3.5533 -3.5516 -3.5515 -3.2329 -3.2329 -2.9772 -2.9772 1.0096 1.0118 1.0233 1.0250 1.4723 1.4797 1.7257 1.7258 2.6403 2.6594 k = 0.4096 0.6279 0.1492 ( 13487 PWs) bands (ev): -7.4995 -7.4993 -7.4991 -7.4991 -7.4938 -7.4938 -7.4915 -7.4911 -7.4896 -7.4892 -7.4890 -7.4889 -7.4863 -7.4862 -7.4847 -7.4844 -5.6844 -5.6833 -5.6825 -5.6817 -5.6720 -5.6713 -5.6672 -5.6672 -5.6609 -5.6604 -5.6594 -5.6594 -5.6558 -5.6553 -5.6522 -5.6515 -5.6477 -5.6469 -5.6440 -5.6434 -5.6362 -5.6349 -5.6332 -5.6326 -3.5510 -3.5510 -3.5484 -3.5483 -3.2461 -3.2461 -2.9754 -2.9753 1.0320 1.0354 1.0509 1.0526 1.4814 1.4908 1.7477 1.7477 2.6166 2.6393 k = 0.4020 0.6162 0.1706 ( 13487 PWs) bands (ev): -7.4994 -7.4990 -7.4989 -7.4989 -7.4939 -7.4938 -7.4915 -7.4910 -7.4896 -7.4893 -7.4891 -7.4890 -7.4864 -7.4864 -7.4848 -7.4845 -5.6842 -5.6830 -5.6821 -5.6812 -5.6718 -5.6711 -5.6669 -5.6669 -5.6611 -5.6604 -5.6595 -5.6592 -5.6558 -5.6552 -5.6522 -5.6517 -5.6478 -5.6473 -5.6446 -5.6437 -5.6364 -5.6349 -5.6333 -5.6326 -3.5487 -3.5487 -3.5451 -3.5449 -3.2584 -3.2584 -2.9751 -2.9751 1.0569 1.0616 1.0821 1.0839 1.4924 1.5042 1.7686 1.7687 2.5950 2.6215 k = 0.3944 0.6046 0.1919 ( 13485 PWs) bands (ev): -7.4992 -7.4988 -7.4987 -7.4986 -7.4940 -7.4939 -7.4915 -7.4909 -7.4897 -7.4893 -7.4892 -7.4890 -7.4866 -7.4866 -7.4849 -7.4846 -5.6840 -5.6826 -5.6817 -5.6806 -5.6715 -5.6709 -5.6666 -5.6666 -5.6614 -5.6605 -5.6596 -5.6590 -5.6559 -5.6551 -5.6523 -5.6522 -5.6479 -5.6477 -5.6451 -5.6440 -5.6366 -5.6348 -5.6335 -5.6326 -3.5465 -3.5464 -3.5415 -3.5413 -3.2697 -3.2697 -2.9765 -2.9765 1.0842 1.0902 1.1168 1.1188 1.5056 1.5198 1.7885 1.7886 2.5756 2.6060 k = 0.3868 0.5929 0.2132 ( 13485 PWs) bands (ev): -7.4990 -7.4985 -7.4984 -7.4984 -7.4941 -7.4939 -7.4915 -7.4908 -7.4898 -7.4893 -7.4893 -7.4890 -7.4867 -7.4867 -7.4850 -7.4847 -5.6837 -5.6822 -5.6813 -5.6800 -5.6711 -5.6707 -5.6664 -5.6662 -5.6617 -5.6606 -5.6597 -5.6587 -5.6559 -5.6550 -5.6527 -5.6524 -5.6481 -5.6479 -5.6454 -5.6443 -5.6368 -5.6348 -5.6337 -5.6327 -3.5443 -3.5442 -3.5377 -3.5375 -3.2799 -3.2799 -2.9797 -2.9797 1.1135 1.1211 1.1549 1.1569 1.5209 1.5378 1.8072 1.8073 2.5584 2.5930 k = 0.3792 0.5813 0.2345 ( 13490 PWs) bands (ev): -7.4987 -7.4983 -7.4982 -7.4981 -7.4941 -7.4939 -7.4915 -7.4907 -7.4899 -7.4894 -7.4893 -7.4891 -7.4869 -7.4869 -7.4852 -7.4848 -5.6834 -5.6818 -5.6809 -5.6794 -5.6707 -5.6704 -5.6661 -5.6659 -5.6620 -5.6608 -5.6597 -5.6584 -5.6561 -5.6549 -5.6533 -5.6526 -5.6484 -5.6479 -5.6457 -5.6445 -5.6370 -5.6349 -5.6340 -5.6327 -3.5420 -3.5419 -3.5335 -3.5333 -3.2890 -3.2890 -2.9848 -2.9847 1.1448 1.1540 1.1960 1.1981 1.5385 1.5582 1.8247 1.8249 2.5436 2.5823 k = 0.3716 0.5696 0.2559 ( 13481 PWs) bands (ev): -7.4985 -7.4980 -7.4980 -7.4978 -7.4942 -7.4939 -7.4916 -7.4907 -7.4900 -7.4895 -7.4894 -7.4891 -7.4871 -7.4870 -7.4853 -7.4849 -5.6830 -5.6814 -5.6804 -5.6788 -5.6702 -5.6701 -5.6660 -5.6656 -5.6623 -5.6610 -5.6597 -5.6581 -5.6562 -5.6550 -5.6540 -5.6527 -5.6486 -5.6479 -5.6457 -5.6447 -5.6372 -5.6351 -5.6342 -5.6327 -3.5397 -3.5395 -3.5291 -3.5289 -3.2970 -3.2969 -2.9917 -2.9917 1.1777 1.1887 1.2399 1.2421 1.5584 1.5810 1.8411 1.8412 2.5310 2.5740 k = 0.3640 0.5580 0.2772 ( 13491 PWs) bands (ev): -7.4983 -7.4977 -7.4977 -7.4975 -7.4942 -7.4939 -7.4916 -7.4907 -7.4900 -7.4895 -7.4894 -7.4892 -7.4873 -7.4872 -7.4855 -7.4850 -5.6826 -5.6811 -5.6800 -5.6783 -5.6698 -5.6697 -5.6658 -5.6653 -5.6627 -5.6613 -5.6597 -5.6578 -5.6565 -5.6552 -5.6544 -5.6529 -5.6488 -5.6480 -5.6457 -5.6449 -5.6375 -5.6353 -5.6345 -5.6327 -3.5372 -3.5371 -3.5243 -3.5240 -3.3037 -3.3037 -3.0006 -3.0006 1.2122 1.2249 1.2863 1.2886 1.5806 1.6060 1.8562 1.8562 2.5207 2.5680 k = 0.3564 0.5463 0.2985 ( 13489 PWs) bands (ev): -7.4981 -7.4975 -7.4974 -7.4972 -7.4942 -7.4939 -7.4917 -7.4907 -7.4900 -7.4896 -7.4894 -7.4892 -7.4874 -7.4873 -7.4857 -7.4852 -5.6822 -5.6807 -5.6795 -5.6777 -5.6696 -5.6691 -5.6657 -5.6650 -5.6630 -5.6616 -5.6597 -5.6576 -5.6567 -5.6557 -5.6546 -5.6531 -5.6488 -5.6480 -5.6456 -5.6450 -5.6378 -5.6357 -5.6349 -5.6327 -3.5347 -3.5345 -3.5191 -3.5189 -3.3092 -3.3092 -3.0114 -3.0114 1.2479 1.2623 1.3349 1.3372 1.6050 1.6331 1.8699 1.8701 2.5126 2.5642 k = 0.3488 0.5347 0.3198 ( 13487 PWs) bands (ev): -7.4978 -7.4972 -7.4972 -7.4969 -7.4942 -7.4939 -7.4918 -7.4908 -7.4900 -7.4897 -7.4895 -7.4893 -7.4876 -7.4875 -7.4859 -7.4853 -5.6818 -5.6803 -5.6791 -5.6772 -5.6693 -5.6685 -5.6656 -5.6647 -5.6633 -5.6619 -5.6598 -5.6576 -5.6569 -5.6563 -5.6546 -5.6532 -5.6489 -5.6479 -5.6454 -5.6451 -5.6381 -5.6361 -5.6353 -5.6327 -3.5320 -3.5318 -3.5136 -3.5134 -3.3135 -3.3134 -3.0241 -3.0241 1.2847 1.3007 1.3851 1.3875 1.6315 1.6619 1.8823 1.8827 2.5065 2.5624 k = 0.3412 0.5230 0.3411 ( 13494 PWs) bands (ev): -7.4976 -7.4970 -7.4969 -7.4966 -7.4942 -7.4938 -7.4919 -7.4909 -7.4900 -7.4898 -7.4896 -7.4893 -7.4877 -7.4876 -7.4861 -7.4855 -5.6813 -5.6798 -5.6786 -5.6767 -5.6691 -5.6679 -5.6656 -5.6645 -5.6636 -5.6621 -5.6601 -5.6579 -5.6570 -5.6565 -5.6544 -5.6533 -5.6488 -5.6478 -5.6453 -5.6453 -5.6385 -5.6365 -5.6357 -5.6327 -3.5290 -3.5288 -3.5077 -3.5075 -3.3165 -3.3164 -3.0387 -3.0386 1.3224 1.3398 1.4365 1.4389 1.6598 1.6920 1.8932 1.8939 2.5023 2.5624 k = 0.3336 0.5114 0.3625 ( 13491 PWs) bands (ev): -7.4974 -7.4968 -7.4967 -7.4962 -7.4941 -7.4937 -7.4919 -7.4910 -7.4900 -7.4898 -7.4897 -7.4894 -7.4879 -7.4878 -7.4863 -7.4857 -5.6807 -5.6794 -5.6781 -5.6762 -5.6689 -5.6673 -5.6655 -5.6644 -5.6639 -5.6622 -5.6604 -5.6586 -5.6570 -5.6566 -5.6541 -5.6533 -5.6488 -5.6477 -5.6454 -5.6451 -5.6388 -5.6370 -5.6361 -5.6327 -3.5257 -3.5255 -3.5015 -3.5012 -3.3183 -3.3183 -3.0550 -3.0550 1.3610 1.3796 1.4883 1.4907 1.6894 1.7226 1.9027 1.9037 2.4998 2.5640 k = 0.3260 0.4997 0.3838 ( 13491 PWs) bands (ev): -7.4971 -7.4965 -7.4964 -7.4959 -7.4940 -7.4937 -7.4920 -7.4911 -7.4900 -7.4898 -7.4898 -7.4894 -7.4880 -7.4879 -7.4865 -7.4859 -5.6802 -5.6790 -5.6777 -5.6758 -5.6688 -5.6668 -5.6656 -5.6644 -5.6642 -5.6623 -5.6608 -5.6593 -5.6569 -5.6568 -5.6537 -5.6532 -5.6487 -5.6475 -5.6455 -5.6450 -5.6393 -5.6375 -5.6366 -5.6328 -3.5221 -3.5219 -3.4950 -3.4947 -3.3190 -3.3189 -3.0730 -3.0729 1.4003 1.4197 1.5398 1.5422 1.7199 1.7531 1.9107 1.9120 2.4988 2.5669 k = 0.3184 0.4881 0.4051 ( 13484 PWs) bands (ev): -7.4969 -7.4963 -7.4962 -7.4956 -7.4939 -7.4936 -7.4921 -7.4912 -7.4901 -7.4899 -7.4897 -7.4894 -7.4882 -7.4880 -7.4868 -7.4861 -5.6796 -5.6785 -5.6772 -5.6754 -5.6688 -5.6663 -5.6657 -5.6646 -5.6643 -5.6625 -5.6612 -5.6599 -5.6569 -5.6567 -5.6532 -5.6530 -5.6486 -5.6474 -5.6456 -5.6448 -5.6397 -5.6380 -5.6371 -5.6328 -3.5181 -3.5179 -3.4881 -3.4879 -3.3185 -3.3185 -3.0924 -3.0924 1.4402 1.4601 1.5900 1.5924 1.7505 1.7825 1.9171 1.9188 2.4991 2.5708 k = 0.3108 0.4764 0.4264 ( 13497 PWs) bands (ev): -7.4968 -7.4961 -7.4961 -7.4953 -7.4937 -7.4936 -7.4921 -7.4913 -7.4901 -7.4900 -7.4897 -7.4894 -7.4883 -7.4881 -7.4870 -7.4864 -5.6789 -5.6780 -5.6767 -5.6750 -5.6689 -5.6661 -5.6660 -5.6648 -5.6644 -5.6629 -5.6612 -5.6605 -5.6571 -5.6563 -5.6527 -5.6527 -5.6485 -5.6472 -5.6458 -5.6447 -5.6402 -5.6385 -5.6375 -5.6329 -3.5137 -3.5135 -3.4811 -3.4809 -3.3169 -3.3169 -3.1132 -3.1132 1.4807 1.5006 1.6377 1.6401 1.7802 1.8095 1.9221 1.9238 2.5006 2.5752 k = 0.3032 0.4648 0.4477 ( 13492 PWs) bands (ev): -7.4966 -7.4960 -7.4959 -7.4950 -7.4936 -7.4936 -7.4921 -7.4913 -7.4901 -7.4901 -7.4896 -7.4895 -7.4885 -7.4883 -7.4873 -7.4866 -5.6783 -5.6775 -5.6762 -5.6746 -5.6691 -5.6663 -5.6661 -5.6650 -5.6644 -5.6633 -5.6611 -5.6609 -5.6572 -5.6559 -5.6522 -5.6522 -5.6483 -5.6471 -5.6459 -5.6445 -5.6407 -5.6390 -5.6380 -5.6331 -3.5087 -3.5085 -3.4741 -3.4738 -3.3143 -3.3143 -3.1350 -3.1350 1.5216 1.5412 1.6814 1.6841 1.8080 1.8329 1.9255 1.9269 2.5035 2.5797 k = 0.2956 0.4531 0.4691 ( 13486 PWs) bands (ev): -7.4964 -7.4959 -7.4956 -7.4948 -7.4936 -7.4935 -7.4921 -7.4913 -7.4902 -7.4902 -7.4895 -7.4895 -7.4886 -7.4884 -7.4875 -7.4869 -5.6776 -5.6770 -5.6757 -5.6742 -5.6693 -5.6668 -5.6664 -5.6652 -5.6644 -5.6637 -5.6612 -5.6610 -5.6574 -5.6553 -5.6518 -5.6518 -5.6482 -5.6470 -5.6461 -5.6444 -5.6412 -5.6394 -5.6385 -5.6332 -3.5033 -3.5030 -3.4671 -3.4669 -3.3107 -3.3107 -3.1576 -3.1576 1.5629 1.5820 1.7197 1.7229 1.8325 1.8516 1.9274 1.9281 2.5079 2.5838 k = 0.2880 0.4415 0.4904 ( 13478 PWs) bands (ev): -7.4963 -7.4958 -7.4954 -7.4945 -7.4936 -7.4933 -7.4920 -7.4913 -7.4903 -7.4902 -7.4895 -7.4894 -7.4887 -7.4884 -7.4877 -7.4871 -5.6769 -5.6765 -5.6753 -5.6738 -5.6695 -5.6674 -5.6668 -5.6658 -5.6644 -5.6638 -5.6613 -5.6609 -5.6575 -5.6547 -5.6514 -5.6512 -5.6480 -5.6470 -5.6462 -5.6442 -5.6418 -5.6398 -5.6390 -5.6333 -3.4972 -3.4970 -3.4606 -3.4604 -3.3061 -3.3061 -3.1805 -3.1804 1.6044 1.6227 1.7510 1.7553 1.8524 1.8646 1.9271 1.9274 2.5145 2.5867 k = 0.2804 0.4298 0.5117 ( 13471 PWs) bands (ev): -7.4962 -7.4958 -7.4952 -7.4943 -7.4937 -7.4933 -7.4919 -7.4912 -7.4903 -7.4903 -7.4895 -7.4893 -7.4889 -7.4885 -7.4879 -7.4874 -5.6762 -5.6760 -5.6749 -5.6735 -5.6697 -5.6680 -5.6672 -5.6665 -5.6643 -5.6638 -5.6614 -5.6608 -5.6576 -5.6540 -5.6511 -5.6506 -5.6479 -5.6470 -5.6464 -5.6440 -5.6424 -5.6402 -5.6394 -5.6335 -3.4905 -3.4903 -3.4550 -3.4547 -3.3007 -3.3007 -3.2031 -3.2030 1.6459 1.6633 1.7742 1.7801 1.8663 1.8717 1.9237 1.9250 2.5234 2.5881 k = 0.2728 0.4182 0.5330 ( 13469 PWs) bands (ev): -7.4960 -7.4957 -7.4950 -7.4941 -7.4939 -7.4932 -7.4917 -7.4912 -7.4904 -7.4903 -7.4896 -7.4892 -7.4890 -7.4885 -7.4881 -7.4876 -5.6756 -5.6755 -5.6746 -5.6731 -5.6698 -5.6686 -5.6676 -5.6672 -5.6643 -5.6637 -5.6613 -5.6608 -5.6577 -5.6534 -5.6510 -5.6500 -5.6478 -5.6471 -5.6465 -5.6439 -5.6430 -5.6404 -5.6398 -5.6336 -3.4832 -3.4831 -3.4508 -3.4506 -3.2945 -3.2944 -3.2247 -3.2246 1.6869 1.7035 1.7888 1.7970 1.8732 1.8735 1.9178 1.9195 2.5349 2.5878 k = 0.2652 0.4065 0.5543 ( 13468 PWs) bands (ev): -7.4959 -7.4957 -7.4948 -7.4940 -7.4940 -7.4932 -7.4915 -7.4911 -7.4904 -7.4904 -7.4896 -7.4891 -7.4891 -7.4885 -7.4883 -7.4879 -5.6751 -5.6750 -5.6744 -5.6728 -5.6697 -5.6691 -5.6680 -5.6678 -5.6643 -5.6637 -5.6612 -5.6608 -5.6578 -5.6527 -5.6510 -5.6495 -5.6476 -5.6472 -5.6466 -5.6437 -5.6435 -5.6405 -5.6401 -5.6337 -3.4753 -3.4752 -3.4491 -3.4489 -3.2875 -3.2874 -3.2442 -3.2440 1.7259 1.7425 1.7958 1.8059 1.8702 1.8744 1.9096 1.9108 2.5482 2.5857 k = 0.2576 0.3949 0.5757 ( 13463 PWs) bands (ev): -7.4959 -7.4958 -7.4946 -7.4942 -7.4939 -7.4932 -7.4913 -7.4911 -7.4904 -7.4904 -7.4896 -7.4892 -7.4890 -7.4885 -7.4884 -7.4881 -5.6748 -5.6746 -5.6744 -5.6725 -5.6696 -5.6694 -5.6686 -5.6681 -5.6643 -5.6637 -5.6611 -5.6608 -5.6578 -5.6521 -5.6512 -5.6491 -5.6475 -5.6473 -5.6466 -5.6439 -5.6437 -5.6406 -5.6404 -5.6338 -3.4668 -3.4667 -3.4510 -3.4509 -3.2799 -3.2797 -3.2602 -3.2601 1.7577 1.7772 1.7981 1.8068 1.8656 1.8726 1.8989 1.8991 2.5619 2.5813 k = 0.2500 0.3832 0.5970 ( 13472 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4912 -7.4912 -7.4904 -7.4904 -7.4896 -7.4893 -7.4890 -7.4885 -7.4885 -7.4882 -5.6745 -5.6745 -5.6744 -5.6725 -5.6697 -5.6691 -5.6691 -5.6682 -5.6643 -5.6637 -5.6609 -5.6609 -5.6579 -5.6516 -5.6516 -5.6490 -5.6474 -5.6474 -5.6466 -5.6441 -5.6436 -5.6405 -5.6405 -5.6338 -3.4577 -3.4577 -3.4577 -3.4576 -3.2716 -3.2715 -3.2715 -3.2712 1.7697 1.7994 1.7998 1.7998 1.8655 1.8748 1.8899 1.8899 2.5736 2.5736 k = 0.2500 0.3832 0.5970 ( 13472 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4912 -7.4912 -7.4904 -7.4904 -7.4896 -7.4893 -7.4890 -7.4885 -7.4885 -7.4882 -5.6745 -5.6745 -5.6744 -5.6725 -5.6697 -5.6691 -5.6691 -5.6682 -5.6643 -5.6637 -5.6609 -5.6609 -5.6579 -5.6516 -5.6516 -5.6490 -5.6474 -5.6474 -5.6466 -5.6441 -5.6436 -5.6405 -5.6405 -5.6338 -3.4577 -3.4577 -3.4577 -3.4576 -3.2716 -3.2715 -3.2715 -3.2712 1.7697 1.7994 1.7998 1.7998 1.8655 1.8748 1.8899 1.8899 2.5736 2.5736 k = 0.2353 0.3928 0.5794 ( 13460 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4912 -7.4912 -7.4904 -7.4904 -7.4896 -7.4893 -7.4890 -7.4885 -7.4884 -7.4881 -5.6746 -5.6745 -5.6743 -5.6725 -5.6697 -5.6691 -5.6691 -5.6682 -5.6643 -5.6637 -5.6610 -5.6609 -5.6579 -5.6516 -5.6516 -5.6490 -5.6474 -5.6474 -5.6466 -5.6441 -5.6436 -5.6405 -5.6405 -5.6339 -3.4689 -3.4689 -3.4471 -3.4471 -3.2811 -3.2808 -3.2611 -3.2609 1.7622 1.7819 1.7980 1.8061 1.8604 1.8664 1.9028 1.9043 2.5709 2.5711 k = 0.2206 0.4024 0.5619 ( 13468 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4912 -7.4912 -7.4905 -7.4904 -7.4895 -7.4893 -7.4890 -7.4886 -7.4884 -7.4880 -5.6747 -5.6746 -5.6742 -5.6725 -5.6698 -5.6691 -5.6690 -5.6681 -5.6643 -5.6636 -5.6610 -5.6609 -5.6578 -5.6518 -5.6516 -5.6490 -5.6475 -5.6474 -5.6465 -5.6442 -5.6436 -5.6406 -5.6405 -5.6339 -3.4804 -3.4804 -3.4376 -3.4376 -3.2892 -3.2890 -3.2499 -3.2497 1.7454 1.7592 1.7861 1.7942 1.8645 1.8655 1.9236 1.9245 2.5635 2.5641 k = 0.2059 0.4120 0.5443 ( 13462 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4913 -7.4912 -7.4906 -7.4904 -7.4894 -7.4893 -7.4890 -7.4886 -7.4883 -7.4880 -5.6747 -5.6746 -5.6741 -5.6725 -5.6699 -5.6690 -5.6690 -5.6680 -5.6643 -5.6636 -5.6611 -5.6608 -5.6578 -5.6520 -5.6515 -5.6490 -5.6477 -5.6474 -5.6463 -5.6442 -5.6435 -5.6406 -5.6405 -5.6340 -3.4920 -3.4920 -3.4297 -3.4297 -3.2955 -3.2953 -3.2384 -3.2382 1.7241 1.7331 1.7644 1.7727 1.8740 1.8762 1.9436 1.9438 2.5524 2.5540 k = 0.1912 0.4216 0.5268 ( 13472 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4914 -7.4912 -7.4907 -7.4905 -7.4894 -7.4894 -7.4889 -7.4887 -7.4882 -7.4879 -5.6747 -5.6746 -5.6739 -5.6725 -5.6700 -5.6690 -5.6688 -5.6679 -5.6644 -5.6635 -5.6612 -5.6607 -5.6577 -5.6523 -5.6515 -5.6490 -5.6478 -5.6475 -5.6461 -5.6443 -5.6434 -5.6407 -5.6405 -5.6341 -3.5035 -3.5035 -3.4238 -3.4238 -3.2995 -3.2993 -3.2268 -3.2266 1.6996 1.7043 1.7395 1.7493 1.8857 1.8891 1.9602 1.9617 2.5389 2.5420 k = 0.1765 0.4312 0.5092 ( 13482 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4914 -7.4912 -7.4908 -7.4905 -7.4895 -7.4893 -7.4888 -7.4887 -7.4881 -7.4878 -5.6747 -5.6746 -5.6738 -5.6725 -5.6701 -5.6690 -5.6687 -5.6677 -5.6644 -5.6634 -5.6613 -5.6605 -5.6577 -5.6526 -5.6515 -5.6490 -5.6480 -5.6475 -5.6460 -5.6444 -5.6433 -5.6408 -5.6405 -5.6342 -3.5146 -3.5146 -3.4203 -3.4203 -3.3008 -3.3006 -3.2152 -3.2150 1.6726 1.6738 1.7150 1.7263 1.8979 1.9013 1.9740 1.9767 2.5241 2.5293 k = 0.1618 0.4408 0.4916 ( 13486 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4938 -7.4932 -7.4915 -7.4912 -7.4909 -7.4905 -7.4896 -7.4893 -7.4887 -7.4887 -7.4880 -7.4877 -5.6747 -5.6746 -5.6736 -5.6725 -5.6702 -5.6690 -5.6686 -5.6675 -5.6644 -5.6633 -5.6614 -5.6603 -5.6578 -5.6528 -5.6514 -5.6492 -5.6482 -5.6476 -5.6458 -5.6445 -5.6431 -5.6409 -5.6405 -5.6344 -3.5253 -3.5253 -3.4193 -3.4193 -3.2996 -3.2994 -3.2038 -3.2036 1.6426 1.6436 1.6920 1.7040 1.9093 1.9121 1.9848 1.9888 2.5090 2.5164 k = 0.1471 0.4504 0.4741 ( 13488 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4938 -7.4932 -7.4916 -7.4913 -7.4910 -7.4905 -7.4897 -7.4894 -7.4886 -7.4886 -7.4879 -7.4876 -5.6747 -5.6746 -5.6736 -5.6724 -5.6704 -5.6690 -5.6684 -5.6673 -5.6645 -5.6631 -5.6615 -5.6600 -5.6578 -5.6531 -5.6514 -5.6494 -5.6484 -5.6477 -5.6457 -5.6446 -5.6428 -5.6410 -5.6405 -5.6346 -3.5354 -3.5354 -3.4204 -3.4204 -3.2961 -3.2959 -3.1929 -3.1927 1.6117 1.6140 1.6709 1.6828 1.9196 1.9213 1.9928 1.9979 2.4940 2.5040 k = 0.1324 0.4600 0.4565 ( 13492 PWs) bands (ev): -7.4958 -7.4958 -7.4944 -7.4943 -7.4938 -7.4932 -7.4917 -7.4914 -7.4910 -7.4905 -7.4898 -7.4894 -7.4885 -7.4885 -7.4878 -7.4875 -5.6747 -5.6746 -5.6735 -5.6722 -5.6705 -5.6691 -5.6683 -5.6672 -5.6645 -5.6630 -5.6616 -5.6596 -5.6580 -5.6532 -5.6514 -5.6497 -5.6486 -5.6477 -5.6456 -5.6447 -5.6426 -5.6411 -5.6405 -5.6348 -3.5448 -3.5448 -3.4231 -3.4230 -3.2910 -3.2908 -3.1824 -3.1823 1.5819 1.5847 1.6514 1.6628 1.9284 1.9290 1.9984 2.0043 2.4797 2.4922 k = 0.1176 0.4696 0.4390 ( 13492 PWs) bands (ev): -7.4959 -7.4958 -7.4944 -7.4943 -7.4938 -7.4933 -7.4918 -7.4915 -7.4910 -7.4905 -7.4899 -7.4895 -7.4884 -7.4884 -7.4877 -7.4875 -5.6747 -5.6746 -5.6734 -5.6720 -5.6706 -5.6691 -5.6681 -5.6671 -5.6645 -5.6628 -5.6617 -5.6592 -5.6582 -5.6533 -5.6514 -5.6500 -5.6487 -5.6478 -5.6455 -5.6448 -5.6423 -5.6412 -5.6405 -5.6351 -3.5534 -3.5534 -3.4267 -3.4267 -3.2850 -3.2848 -3.1727 -3.1726 1.5537 1.5568 1.6336 1.6441 1.9353 1.9359 2.0018 2.0084 2.4665 2.4810 k = 0.1029 0.4792 0.4214 ( 13472 PWs) bands (ev): -7.4959 -7.4958 -7.4944 -7.4943 -7.4938 -7.4933 -7.4919 -7.4916 -7.4910 -7.4905 -7.4900 -7.4896 -7.4884 -7.4883 -7.4876 -7.4874 -5.6747 -5.6745 -5.6734 -5.6718 -5.6708 -5.6691 -5.6680 -5.6670 -5.6644 -5.6627 -5.6618 -5.6588 -5.6584 -5.6534 -5.6514 -5.6504 -5.6488 -5.6479 -5.6454 -5.6449 -5.6420 -5.6413 -5.6404 -5.6353 -3.5611 -3.5611 -3.4307 -3.4307 -3.2786 -3.2785 -3.1638 -3.1637 1.5278 1.5307 1.6174 1.6269 1.9403 1.9419 2.0037 2.0106 2.4546 2.4705 k = 0.0882 0.4887 0.4038 ( 13478 PWs) bands (ev): -7.4959 -7.4958 -7.4944 -7.4943 -7.4937 -7.4933 -7.4919 -7.4917 -7.4910 -7.4905 -7.4901 -7.4897 -7.4883 -7.4882 -7.4875 -7.4873 -5.6747 -5.6745 -5.6733 -5.6715 -5.6710 -5.6692 -5.6679 -5.6670 -5.6642 -5.6625 -5.6620 -5.6588 -5.6583 -5.6534 -5.6515 -5.6509 -5.6488 -5.6480 -5.6453 -5.6449 -5.6418 -5.6414 -5.6402 -5.6357 -3.5680 -3.5680 -3.4348 -3.4348 -3.2724 -3.2723 -3.1558 -3.1557 1.5045 1.5072 1.6031 1.6114 1.9441 1.9466 2.0044 2.0113 2.4442 2.4605 k = 0.0735 0.4983 0.3863 ( 13488 PWs) bands (ev): -7.4959 -7.4958 -7.4944 -7.4943 -7.4937 -7.4933 -7.4920 -7.4917 -7.4909 -7.4905 -7.4901 -7.4898 -7.4882 -7.4882 -7.4874 -7.4873 -5.6747 -5.6745 -5.6732 -5.6713 -5.6712 -5.6693 -5.6678 -5.6670 -5.6640 -5.6623 -5.6621 -5.6591 -5.6577 -5.6534 -5.6516 -5.6514 -5.6489 -5.6481 -5.6453 -5.6450 -5.6417 -5.6414 -5.6400 -5.6360 -3.5739 -3.5739 -3.4386 -3.4385 -3.2666 -3.2665 -3.1489 -3.1488 1.4842 1.4866 1.5909 1.5978 1.9470 1.9501 2.0043 2.0110 2.4354 2.4510 k = 0.0588 0.5079 0.3687 ( 13488 PWs) bands (ev): -7.4959 -7.4958 -7.4943 -7.4943 -7.4937 -7.4934 -7.4920 -7.4918 -7.4909 -7.4905 -7.4902 -7.4898 -7.4881 -7.4881 -7.4874 -7.4873 -5.6747 -5.6745 -5.6730 -5.6714 -5.6710 -5.6694 -5.6677 -5.6671 -5.6638 -5.6622 -5.6621 -5.6595 -5.6572 -5.6534 -5.6518 -5.6517 -5.6489 -5.6482 -5.6453 -5.6451 -5.6416 -5.6415 -5.6396 -5.6364 -3.5787 -3.5787 -3.4419 -3.4419 -3.2616 -3.2615 -3.1431 -3.1430 1.4673 1.4692 1.5807 1.5863 1.9492 1.9524 2.0040 2.0099 2.4285 2.4421 k = 0.0441 0.5175 0.3512 ( 13480 PWs) bands (ev): -7.4959 -7.4959 -7.4943 -7.4943 -7.4936 -7.4934 -7.4920 -7.4919 -7.4909 -7.4906 -7.4902 -7.4899 -7.4881 -7.4881 -7.4873 -7.4873 -5.6746 -5.6745 -5.6729 -5.6716 -5.6707 -5.6695 -5.6676 -5.6672 -5.6636 -5.6623 -5.6618 -5.6598 -5.6566 -5.6535 -5.6522 -5.6518 -5.6489 -5.6483 -5.6452 -5.6451 -5.6416 -5.6416 -5.6392 -5.6367 -3.5826 -3.5826 -3.4446 -3.4446 -3.2575 -3.2574 -3.1385 -3.1384 1.4539 1.4554 1.5728 1.5770 1.9509 1.9538 2.0036 2.0085 2.4234 2.4342 k = 0.0294 0.5271 0.3336 ( 13466 PWs) bands (ev): -7.4959 -7.4959 -7.4943 -7.4943 -7.4936 -7.4935 -7.4920 -7.4919 -7.4908 -7.4906 -7.4901 -7.4900 -7.4881 -7.4880 -7.4873 -7.4872 -5.6746 -5.6745 -5.6727 -5.6718 -5.6705 -5.6696 -5.6675 -5.6672 -5.6633 -5.6625 -5.6616 -5.6602 -5.6560 -5.6538 -5.6523 -5.6520 -5.6488 -5.6484 -5.6452 -5.6451 -5.6416 -5.6416 -5.6388 -5.6371 -3.5853 -3.5853 -3.4466 -3.4466 -3.2545 -3.2544 -3.1352 -3.1351 1.4443 1.4453 1.5673 1.5701 1.9522 1.9544 2.0036 2.0070 2.4202 2.4276 k = 0.0147 0.5367 0.3161 ( 13472 PWs) bands (ev): -7.4959 -7.4959 -7.4943 -7.4943 -7.4936 -7.4935 -7.4920 -7.4920 -7.4908 -7.4907 -7.4901 -7.4900 -7.4880 -7.4880 -7.4873 -7.4872 -5.6746 -5.6745 -5.6725 -5.6720 -5.6702 -5.6698 -5.6675 -5.6673 -5.6631 -5.6627 -5.6613 -5.6606 -5.6554 -5.6542 -5.6523 -5.6521 -5.6487 -5.6485 -5.6452 -5.6451 -5.6416 -5.6416 -5.6384 -5.6375 -3.5870 -3.5870 -3.4478 -3.4478 -3.2526 -3.2526 -3.1332 -3.1331 1.4385 1.4390 1.5642 1.5656 1.9532 1.9544 2.0038 2.0056 2.4191 2.4228 k = 0.0000 0.5463 0.2985 ( 13470 PWs) bands (ev): -7.4959 -7.4959 -7.4943 -7.4943 -7.4935 -7.4935 -7.4920 -7.4920 -7.4907 -7.4907 -7.4901 -7.4901 -7.4880 -7.4880 -7.4872 -7.4872 -5.6746 -5.6746 -5.6722 -5.6722 -5.6700 -5.6700 -5.6674 -5.6674 -5.6629 -5.6629 -5.6609 -5.6609 -5.6548 -5.6548 -5.6522 -5.6522 -5.6486 -5.6486 -5.6452 -5.6452 -5.6416 -5.6416 -5.6380 -5.6380 -3.5875 -3.5875 -3.4482 -3.4482 -3.2520 -3.2520 -3.1325 -3.1325 1.4368 1.4368 1.5637 1.5637 1.9540 1.9540 2.0046 2.0046 2.4200 2.4200 k = 0.0000 0.5463 0.2985 ( 13470 PWs) bands (ev): -7.4959 -7.4959 -7.4943 -7.4943 -7.4935 -7.4935 -7.4920 -7.4920 -7.4907 -7.4907 -7.4901 -7.4901 -7.4880 -7.4880 -7.4872 -7.4872 -5.6746 -5.6746 -5.6722 -5.6722 -5.6700 -5.6700 -5.6674 -5.6674 -5.6629 -5.6629 -5.6609 -5.6609 -5.6548 -5.6548 -5.6522 -5.6522 -5.6486 -5.6486 -5.6452 -5.6452 -5.6416 -5.6416 -5.6380 -5.6380 -3.5875 -3.5875 -3.4482 -3.4482 -3.2520 -3.2520 -3.1325 -3.1325 1.4368 1.4368 1.5637 1.5637 1.9540 1.9540 2.0046 2.0046 2.4200 2.4200 k =-0.0201 0.5392 0.3115 ( 13489 PWs) bands (ev): -7.4960 -7.4958 -7.4945 -7.4941 -7.4937 -7.4934 -7.4922 -7.4918 -7.4908 -7.4906 -7.4902 -7.4899 -7.4881 -7.4880 -7.4874 -7.4871 -5.6752 -5.6740 -5.6730 -5.6718 -5.6705 -5.6694 -5.6675 -5.6671 -5.6631 -5.6627 -5.6613 -5.6606 -5.6550 -5.6545 -5.6528 -5.6518 -5.6492 -5.6481 -5.6453 -5.6450 -5.6417 -5.6413 -5.6384 -5.6375 -3.5874 -3.5873 -3.4475 -3.4475 -3.2562 -3.2562 -3.1286 -3.1286 1.4165 1.4339 1.5590 1.5884 1.9055 1.9411 2.0170 2.0403 2.3700 2.4293 k =-0.0402 0.5321 0.3245 ( 13486 PWs) bands (ev): -7.4961 -7.4958 -7.4947 -7.4940 -7.4940 -7.4934 -7.4922 -7.4916 -7.4909 -7.4905 -7.4902 -7.4898 -7.4881 -7.4879 -7.4874 -7.4869 -5.6758 -5.6742 -5.6732 -5.6719 -5.6708 -5.6686 -5.6673 -5.6666 -5.6633 -5.6626 -5.6616 -5.6603 -5.6553 -5.6544 -5.6532 -5.6515 -5.6498 -5.6477 -5.6455 -5.6449 -5.6417 -5.6409 -5.6387 -5.6371 -3.5868 -3.5867 -3.4454 -3.4454 -3.2675 -3.2675 -3.1184 -3.1184 1.3853 1.4088 1.5721 1.6212 1.8473 1.8920 2.0537 2.0725 2.3237 2.3876 k =-0.0604 0.5250 0.3374 ( 13486 PWs) bands (ev): -7.4962 -7.4958 -7.4949 -7.4942 -7.4940 -7.4935 -7.4922 -7.4914 -7.4910 -7.4904 -7.4901 -7.4896 -7.4882 -7.4879 -7.4874 -7.4868 -5.6765 -5.6752 -5.6731 -5.6724 -5.6708 -5.6677 -5.6671 -5.6659 -5.6636 -5.6624 -5.6618 -5.6601 -5.6556 -5.6546 -5.6533 -5.6514 -5.6503 -5.6475 -5.6456 -5.6446 -5.6417 -5.6405 -5.6389 -5.6367 -3.5858 -3.5858 -3.4419 -3.4419 -3.2832 -3.2832 -3.1045 -3.1045 1.3502 1.3742 1.5872 1.6534 1.7862 1.8418 2.0827 2.0952 2.2842 2.3489 k =-0.0805 0.5179 0.3504 ( 13488 PWs) bands (ev): -7.4964 -7.4959 -7.4952 -7.4945 -7.4940 -7.4936 -7.4921 -7.4911 -7.4910 -7.4903 -7.4899 -7.4895 -7.4883 -7.4880 -7.4873 -7.4866 -5.6771 -5.6761 -5.6735 -5.6727 -5.6707 -5.6670 -5.6667 -5.6651 -5.6639 -5.6623 -5.6620 -5.6599 -5.6559 -5.6550 -5.6531 -5.6515 -5.6507 -5.6476 -5.6457 -5.6442 -5.6417 -5.6399 -5.6389 -5.6363 -3.5846 -3.5845 -3.4371 -3.4370 -3.3013 -3.3013 -3.0889 -3.0889 1.3140 1.3369 1.5917 1.6757 1.7289 1.7985 2.1010 2.1081 2.2531 2.3178 k =-0.1006 0.5109 0.3634 ( 13487 PWs) bands (ev): -7.4966 -7.4961 -7.4954 -7.4948 -7.4941 -7.4937 -7.4919 -7.4910 -7.4909 -7.4901 -7.4897 -7.4894 -7.4883 -7.4881 -7.4871 -7.4864 -5.6777 -5.6770 -5.6742 -5.6731 -5.6704 -5.6668 -5.6659 -5.6647 -5.6638 -5.6624 -5.6619 -5.6597 -5.6563 -5.6554 -5.6527 -5.6519 -5.6509 -5.6479 -5.6457 -5.6437 -5.6418 -5.6394 -5.6386 -5.6359 -3.5830 -3.5829 -3.4308 -3.4307 -3.3207 -3.3207 -3.0728 -3.0728 1.2782 1.2995 1.5763 1.6457 1.7151 1.7697 2.1072 2.1133 2.2321 2.2966 k =-0.1207 0.5038 0.3764 ( 13493 PWs) bands (ev): -7.4968 -7.4963 -7.4957 -7.4952 -7.4942 -7.4938 -7.4918 -7.4910 -7.4907 -7.4900 -7.4895 -7.4894 -7.4883 -7.4881 -7.4869 -7.4862 -5.6783 -5.6779 -5.6749 -5.6736 -5.6701 -5.6667 -5.6652 -5.6650 -5.6629 -5.6623 -5.6617 -5.6597 -5.6568 -5.6555 -5.6523 -5.6523 -5.6511 -5.6482 -5.6457 -5.6434 -5.6418 -5.6388 -5.6382 -5.6355 -3.5811 -3.5811 -3.4232 -3.4231 -3.3407 -3.3406 -3.0570 -3.0570 1.2434 1.2630 1.5402 1.5850 1.7203 1.7556 2.1033 2.1115 2.2228 2.2868 k =-0.1409 0.4967 0.3893 ( 13494 PWs) bands (ev): -7.4971 -7.4965 -7.4960 -7.4955 -7.4943 -7.4939 -7.4917 -7.4909 -7.4906 -7.4899 -7.4893 -7.4892 -7.4884 -7.4881 -7.4867 -7.4860 -5.6789 -5.6786 -5.6757 -5.6742 -5.6698 -5.6667 -5.6654 -5.6646 -5.6627 -5.6618 -5.6612 -5.6598 -5.6572 -5.6556 -5.6527 -5.6519 -5.6512 -5.6484 -5.6458 -5.6435 -5.6414 -5.6383 -5.6377 -5.6352 -3.5791 -3.5790 -3.4143 -3.4142 -3.3607 -3.3606 -3.0419 -3.0418 1.2100 1.2280 1.4913 1.5224 1.7164 1.7464 2.0925 2.1016 2.2264 2.2891 k =-0.1610 0.4896 0.4023 ( 13507 PWs) bands (ev): -7.4973 -7.4968 -7.4963 -7.4959 -7.4943 -7.4939 -7.4916 -7.4908 -7.4904 -7.4898 -7.4892 -7.4890 -7.4884 -7.4881 -7.4865 -7.4858 -5.6796 -5.6793 -5.6764 -5.6749 -5.6696 -5.6671 -5.6654 -5.6642 -5.6628 -5.6615 -5.6602 -5.6599 -5.6575 -5.6557 -5.6530 -5.6518 -5.6511 -5.6486 -5.6458 -5.6439 -5.6408 -5.6377 -5.6371 -5.6349 -3.5769 -3.5768 -3.4044 -3.4041 -3.3803 -3.3802 -3.0278 -3.0278 1.1783 1.1949 1.4372 1.4609 1.7044 1.7330 2.0760 2.0845 2.2428 2.3029 k =-0.1811 0.4825 0.4153 ( 13511 PWs) bands (ev): -7.4976 -7.4971 -7.4967 -7.4962 -7.4943 -7.4940 -7.4914 -7.4907 -7.4902 -7.4898 -7.4891 -7.4888 -7.4883 -7.4880 -7.4863 -7.4856 -5.6803 -5.6798 -5.6772 -5.6756 -5.6696 -5.6676 -5.6652 -5.6638 -5.6630 -5.6612 -5.6602 -5.6590 -5.6576 -5.6556 -5.6533 -5.6519 -5.6507 -5.6487 -5.6459 -5.6443 -5.6402 -5.6372 -5.6366 -5.6346 -3.5746 -3.5745 -3.4015 -3.4009 -3.3913 -3.3909 -3.0150 -3.0150 1.1485 1.1636 1.3820 1.4013 1.6863 1.7134 2.0542 2.0616 2.2700 2.3264 k =-0.2012 0.4754 0.4283 ( 13503 PWs) bands (ev): -7.4978 -7.4973 -7.4970 -7.4966 -7.4943 -7.4940 -7.4914 -7.4906 -7.4901 -7.4898 -7.4890 -7.4888 -7.4882 -7.4879 -7.4860 -7.4854 -5.6810 -5.6803 -5.6779 -5.6764 -5.6697 -5.6683 -5.6650 -5.6636 -5.6632 -5.6610 -5.6603 -5.6584 -5.6572 -5.6556 -5.6535 -5.6521 -5.6502 -5.6486 -5.6460 -5.6447 -5.6396 -5.6367 -5.6360 -5.6344 -3.5722 -3.5721 -3.4193 -3.4191 -3.3793 -3.3792 -3.0037 -3.0037 1.1207 1.1345 1.3276 1.3441 1.6642 1.6888 2.0279 2.0342 2.3049 2.3569 k =-0.2213 0.4683 0.4413 ( 13509 PWs) bands (ev): -7.4981 -7.4976 -7.4974 -7.4970 -7.4943 -7.4940 -7.4913 -7.4905 -7.4901 -7.4898 -7.4890 -7.4888 -7.4880 -7.4878 -7.4858 -7.4852 -5.6816 -5.6808 -5.6786 -5.6772 -5.6699 -5.6689 -5.6650 -5.6636 -5.6632 -5.6608 -5.6604 -5.6583 -5.6565 -5.6552 -5.6537 -5.6523 -5.6499 -5.6483 -5.6462 -5.6450 -5.6390 -5.6363 -5.6355 -5.6341 -3.5699 -3.5698 -3.4372 -3.4371 -3.3654 -3.3654 -2.9940 -2.9940 1.0949 1.1076 1.2753 1.2898 1.6395 1.6614 1.9983 2.0034 2.3445 2.3920 k =-0.2415 0.4612 0.4542 ( 13505 PWs) bands (ev): -7.4984 -7.4979 -7.4977 -7.4974 -7.4942 -7.4940 -7.4912 -7.4905 -7.4901 -7.4897 -7.4889 -7.4888 -7.4877 -7.4876 -7.4856 -7.4851 -5.6822 -5.6812 -5.6793 -5.6780 -5.6701 -5.6695 -5.6650 -5.6639 -5.6629 -5.6607 -5.6604 -5.6584 -5.6561 -5.6545 -5.6539 -5.6523 -5.6497 -5.6477 -5.6465 -5.6451 -5.6385 -5.6360 -5.6351 -5.6339 -3.5677 -3.5676 -3.4544 -3.4543 -3.3504 -3.3504 -2.9860 -2.9860 1.0712 1.0827 1.2257 1.2387 1.6139 1.6329 1.9660 1.9702 2.3864 2.4295 k =-0.2616 0.4541 0.4672 ( 13501 PWs) bands (ev): -7.4986 -7.4982 -7.4980 -7.4977 -7.4942 -7.4940 -7.4912 -7.4905 -7.4900 -7.4896 -7.4889 -7.4888 -7.4874 -7.4874 -7.4854 -7.4849 -5.6827 -5.6817 -5.6799 -5.6787 -5.6704 -5.6701 -5.6652 -5.6644 -5.6625 -5.6606 -5.6603 -5.6586 -5.6559 -5.6542 -5.6534 -5.6522 -5.6496 -5.6471 -5.6469 -5.6449 -5.6380 -5.6358 -5.6346 -5.6336 -3.5657 -3.5656 -3.4707 -3.4706 -3.3344 -3.3343 -2.9798 -2.9798 1.0495 1.0600 1.1793 1.1910 1.5885 1.6047 1.9319 1.9353 2.4289 2.4674 k =-0.2817 0.4470 0.4802 ( 13493 PWs) bands (ev): -7.4989 -7.4985 -7.4984 -7.4981 -7.4941 -7.4940 -7.4912 -7.4906 -7.4899 -7.4894 -7.4890 -7.4888 -7.4872 -7.4871 -7.4852 -7.4848 -5.6831 -5.6821 -5.6806 -5.6795 -5.6707 -5.6705 -5.6655 -5.6649 -5.6621 -5.6605 -5.6602 -5.6588 -5.6558 -5.6544 -5.6524 -5.6521 -5.6495 -5.6472 -5.6464 -5.6447 -5.6376 -5.6356 -5.6342 -5.6334 -3.5639 -3.5638 -3.4859 -3.4859 -3.3174 -3.3173 -2.9755 -2.9754 1.0299 1.0394 1.1365 1.1470 1.5640 1.5776 1.8965 1.8992 2.4708 2.5047 k =-0.3018 0.4399 0.4932 ( 13495 PWs) bands (ev): -7.4991 -7.4987 -7.4987 -7.4984 -7.4940 -7.4939 -7.4912 -7.4907 -7.4898 -7.4893 -7.4890 -7.4888 -7.4869 -7.4869 -7.4850 -7.4847 -5.6836 -5.6826 -5.6812 -5.6803 -5.6711 -5.6708 -5.6659 -5.6654 -5.6616 -5.6605 -5.6600 -5.6590 -5.6558 -5.6547 -5.6520 -5.6516 -5.6494 -5.6474 -5.6456 -5.6444 -5.6372 -5.6355 -5.6339 -5.6332 -3.5624 -3.5623 -3.5001 -3.5000 -3.2995 -3.2995 -2.9730 -2.9730 1.0122 1.0209 1.0973 1.1069 1.5412 1.5524 1.8604 1.8624 2.5115 2.5406 k =-0.3219 0.4329 0.5061 ( 13499 PWs) bands (ev): -7.4993 -7.4990 -7.4989 -7.4987 -7.4939 -7.4939 -7.4913 -7.4908 -7.4897 -7.4892 -7.4890 -7.4888 -7.4867 -7.4866 -7.4849 -7.4846 -5.6839 -5.6830 -5.6817 -5.6810 -5.6715 -5.6711 -5.6663 -5.6660 -5.6613 -5.6604 -5.6599 -5.6592 -5.6558 -5.6550 -5.6519 -5.6510 -5.6491 -5.6473 -5.6449 -5.6439 -5.6369 -5.6355 -5.6336 -5.6330 -3.5613 -3.5612 -3.5131 -3.5130 -3.2809 -3.2809 -2.9724 -2.9723 0.9964 1.0043 1.0622 1.0708 1.5205 1.5295 1.8237 1.8253 2.5508 2.5752 k =-0.3421 0.4258 0.5191 ( 13476 PWs) bands (ev): -7.4995 -7.4993 -7.4992 -7.4990 -7.4938 -7.4938 -7.4913 -7.4910 -7.4896 -7.4892 -7.4890 -7.4888 -7.4864 -7.4864 -7.4847 -7.4845 -5.6842 -5.6834 -5.6823 -5.6817 -5.6717 -5.6713 -5.6668 -5.6665 -5.6609 -5.6604 -5.6597 -5.6593 -5.6558 -5.6552 -5.6519 -5.6509 -5.6486 -5.6470 -5.6441 -5.6435 -5.6365 -5.6355 -5.6334 -5.6329 -3.5606 -3.5605 -3.5249 -3.5248 -3.2617 -3.2617 -2.9735 -2.9735 0.9825 0.9897 1.0311 1.0389 1.5022 1.5093 1.7870 1.7881 2.5888 2.6087 k =-0.3622 0.4187 0.5321 ( 13469 PWs) bands (ev): -7.4997 -7.4995 -7.4994 -7.4993 -7.4937 -7.4937 -7.4914 -7.4911 -7.4895 -7.4891 -7.4890 -7.4888 -7.4862 -7.4861 -7.4846 -7.4844 -5.6845 -5.6838 -5.6828 -5.6823 -5.6719 -5.6715 -5.6672 -5.6671 -5.6607 -5.6603 -5.6597 -5.6594 -5.6558 -5.6554 -5.6520 -5.6511 -5.6478 -5.6466 -5.6434 -5.6430 -5.6363 -5.6355 -5.6332 -5.6328 -3.5604 -3.5603 -3.5354 -3.5353 -3.2419 -3.2419 -2.9765 -2.9765 0.9704 0.9769 1.0043 1.0113 1.4865 1.4918 1.7504 1.7512 2.6262 2.6418 k =-0.3823 0.4116 0.5451 ( 13467 PWs) bands (ev): -7.4999 -7.4997 -7.4996 -7.4995 -7.4936 -7.4936 -7.4915 -7.4913 -7.4893 -7.4891 -7.4890 -7.4888 -7.4859 -7.4859 -7.4845 -7.4844 -5.6847 -5.6842 -5.6832 -5.6829 -5.6721 -5.6717 -5.6677 -5.6676 -5.6605 -5.6602 -5.6596 -5.6594 -5.6558 -5.6555 -5.6521 -5.6515 -5.6470 -5.6461 -5.6428 -5.6425 -5.6360 -5.6355 -5.6331 -5.6327 -3.5607 -3.5606 -3.5446 -3.5445 -3.2218 -3.2218 -2.9811 -2.9811 0.9601 0.9660 0.9818 0.9881 1.4736 1.4774 1.7142 1.7147 2.6635 2.6752 k =-0.4024 0.4045 0.5581 ( 13459 PWs) bands (ev): -7.5000 -7.4999 -7.4998 -7.4997 -7.4935 -7.4935 -7.4916 -7.4915 -7.4892 -7.4891 -7.4889 -7.4889 -7.4857 -7.4857 -7.4844 -7.4843 -5.6849 -5.6846 -5.6837 -5.6835 -5.6721 -5.6718 -5.6682 -5.6682 -5.6603 -5.6602 -5.6596 -5.6594 -5.6557 -5.6556 -5.6523 -5.6519 -5.6461 -5.6455 -5.6422 -5.6421 -5.6358 -5.6355 -5.6330 -5.6327 -3.5616 -3.5615 -3.5525 -3.5524 -3.2015 -3.2015 -2.9874 -2.9873 0.9516 0.9569 0.9638 0.9693 1.4635 1.4660 1.6787 1.6790 2.7012 2.7095 k =-0.4226 0.3974 0.5710 ( 13459 PWs) bands (ev): -7.5002 -7.5001 -7.5000 -7.4999 -7.4934 -7.4934 -7.4917 -7.4917 -7.4892 -7.4891 -7.4889 -7.4889 -7.4855 -7.4855 -7.4844 -7.4843 -5.6851 -5.6849 -5.6840 -5.6839 -5.6721 -5.6719 -5.6687 -5.6687 -5.6602 -5.6601 -5.6596 -5.6594 -5.6556 -5.6556 -5.6526 -5.6523 -5.6453 -5.6449 -5.6418 -5.6417 -5.6355 -5.6354 -5.6330 -5.6328 -3.5630 -3.5630 -3.5590 -3.5589 -3.1810 -3.1810 -2.9951 -2.9951 0.9449 0.9496 0.9503 0.9551 1.4562 1.4577 1.6440 1.6442 2.7396 2.7449 k =-0.4427 0.3903 0.5840 ( 13434 PWs) bands (ev): -7.5003 -7.5002 -7.5001 -7.5001 -7.4933 -7.4933 -7.4919 -7.4918 -7.4891 -7.4891 -7.4889 -7.4889 -7.4853 -7.4853 -7.4844 -7.4843 -5.6852 -5.6851 -5.6844 -5.6843 -5.6721 -5.6720 -5.6692 -5.6692 -5.6601 -5.6600 -5.6596 -5.6595 -5.6555 -5.6555 -5.6528 -5.6527 -5.6446 -5.6444 -5.6415 -5.6415 -5.6352 -5.6352 -5.6330 -5.6329 -3.5651 -3.5651 -3.5641 -3.5641 -3.1607 -3.1607 -3.0042 -3.0042 0.9399 0.9412 0.9441 0.9454 1.4518 1.4524 1.6105 1.6105 2.7791 2.7816 k =-0.4628 0.3832 0.5970 ( 13442 PWs) bands (ev): -7.5003 -7.5003 -7.5002 -7.5002 -7.4932 -7.4932 -7.4920 -7.4920 -7.4890 -7.4890 -7.4889 -7.4889 -7.4851 -7.4851 -7.4843 -7.4843 -5.6853 -5.6853 -5.6847 -5.6847 -5.6720 -5.6720 -5.6697 -5.6697 -5.6600 -5.6600 -5.6596 -5.6596 -5.6553 -5.6553 -5.6531 -5.6531 -5.6438 -5.6438 -5.6414 -5.6414 -5.6350 -5.6350 -5.6330 -5.6330 -3.5678 -3.5678 -3.5678 -3.5678 -3.1406 -3.1406 -3.0145 -3.0145 0.9367 0.9367 0.9404 0.9404 1.4501 1.4501 1.5783 1.5783 2.8195 2.8195 k =-0.4628 0.3832 0.5970 ( 13442 PWs) bands (ev): -7.5003 -7.5003 -7.5002 -7.5002 -7.4932 -7.4932 -7.4920 -7.4920 -7.4890 -7.4890 -7.4889 -7.4889 -7.4851 -7.4851 -7.4843 -7.4843 -5.6853 -5.6853 -5.6847 -5.6847 -5.6720 -5.6720 -5.6697 -5.6697 -5.6600 -5.6600 -5.6596 -5.6596 -5.6553 -5.6553 -5.6531 -5.6531 -5.6438 -5.6438 -5.6414 -5.6414 -5.6350 -5.6350 -5.6330 -5.6330 -3.5678 -3.5678 -3.5678 -3.5678 -3.1406 -3.1406 -3.0145 -3.0145 0.9367 0.9367 0.9404 0.9404 1.4501 1.4501 1.5783 1.5783 2.8195 2.8195 k =-0.4752 0.3642 0.5970 ( 13446 PWs) bands (ev): -7.5004 -7.5004 -7.5004 -7.5004 -7.4930 -7.4930 -7.4922 -7.4922 -7.4890 -7.4890 -7.4889 -7.4889 -7.4849 -7.4849 -7.4844 -7.4844 -5.6854 -5.6854 -5.6850 -5.6850 -5.6719 -5.6719 -5.6703 -5.6703 -5.6599 -5.6599 -5.6596 -5.6596 -5.6551 -5.6551 -5.6536 -5.6536 -5.6431 -5.6431 -5.6413 -5.6413 -5.6346 -5.6346 -5.6332 -5.6332 -3.5712 -3.5712 -3.5712 -3.5712 -3.1147 -3.1147 -3.0302 -3.0302 0.9343 0.9343 0.9371 0.9371 1.4531 1.4531 1.5395 1.5395 2.8730 2.8730 k =-0.4876 0.3452 0.5970 ( 13450 PWs) bands (ev): -7.5005 -7.5005 -7.5004 -7.5004 -7.4928 -7.4928 -7.4924 -7.4924 -7.4890 -7.4890 -7.4889 -7.4889 -7.4847 -7.4847 -7.4844 -7.4844 -5.6854 -5.6854 -5.6852 -5.6852 -5.6716 -5.6716 -5.6709 -5.6709 -5.6599 -5.6598 -5.6597 -5.6597 -5.6547 -5.6547 -5.6540 -5.6540 -5.6424 -5.6424 -5.6415 -5.6415 -5.6342 -5.6342 -5.6335 -5.6335 -3.5732 -3.5732 -3.5732 -3.5732 -3.0906 -3.0906 -3.0482 -3.0482 0.9333 0.9333 0.9349 0.9349 1.4637 1.4637 1.5072 1.5072 2.9266 2.9266 k =-0.5000 0.3262 0.5970 ( 13426 PWs) bands (ev): -7.5005 -7.5005 -7.5005 -7.5005 -7.4926 -7.4926 -7.4926 -7.4926 -7.4889 -7.4889 -7.4889 -7.4889 -7.4846 -7.4846 -7.4846 -7.4846 -5.6854 -5.6854 -5.6854 -5.6854 -5.6713 -5.6713 -5.6713 -5.6713 -5.6598 -5.6598 -5.6598 -5.6598 -5.6544 -5.6544 -5.6544 -5.6544 -5.6419 -5.6419 -5.6419 -5.6419 -5.6338 -5.6338 -5.6338 -5.6338 -3.5739 -3.5739 -3.5739 -3.5739 -3.0684 -3.0684 -3.0684 -3.0684 0.9336 0.9336 0.9336 0.9336 1.4818 1.4818 1.4818 1.4818 2.9800 2.9800 k = 0.0000 0.0000 0.5970 ( 13520 PWs) bands (ev): -7.4997 -7.4997 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4935 -7.4898 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6840 -5.6840 -5.6837 -5.6837 -5.6760 -5.6760 -5.6751 -5.6751 -5.6591 -5.6591 -5.6588 -5.6588 -5.6566 -5.6566 -5.6543 -5.6543 -5.6422 -5.6422 -5.6419 -5.6419 -5.6306 -5.6306 -5.6284 -5.6284 -3.6416 -3.6416 -3.6416 -3.6416 -3.0033 -3.0033 -3.0032 -3.0032 1.1710 1.1710 1.1795 1.1795 1.8737 1.8737 1.8778 1.8778 2.4654 2.4654 k = 0.0139 0.0213 0.5970 ( 13508 PWs) bands (ev): -7.4997 -7.4996 -7.4996 -7.4996 -7.4935 -7.4935 -7.4935 -7.4934 -7.4899 -7.4898 -7.4894 -7.4894 -7.4841 -7.4841 -7.4837 -7.4837 -5.6844 -5.6840 -5.6836 -5.6833 -5.6762 -5.6756 -5.6753 -5.6748 -5.6591 -5.6590 -5.6589 -5.6587 -5.6570 -5.6564 -5.6543 -5.6543 -5.6426 -5.6422 -5.6420 -5.6418 -5.6310 -5.6302 -5.6285 -5.6284 -3.6408 -3.6408 -3.6407 -3.6407 -3.0048 -3.0048 -3.0047 -3.0047 1.1743 1.1744 1.1828 1.1830 1.8719 1.8764 1.8770 1.8805 2.4594 2.4730 k = 0.0278 0.0426 0.5970 ( 13498 PWs) bands (ev): -7.4997 -7.4996 -7.4995 -7.4995 -7.4936 -7.4936 -7.4934 -7.4934 -7.4899 -7.4898 -7.4894 -7.4894 -7.4842 -7.4841 -7.4838 -7.4837 -5.6847 -5.6842 -5.6832 -5.6829 -5.6762 -5.6753 -5.6750 -5.6743 -5.6592 -5.6590 -5.6590 -5.6585 -5.6574 -5.6562 -5.6543 -5.6543 -5.6432 -5.6425 -5.6420 -5.6417 -5.6313 -5.6299 -5.6286 -5.6286 -3.6383 -3.6382 -3.6382 -3.6382 -3.0093 -3.0093 -3.0092 -3.0092 1.1841 1.1844 1.1927 1.1931 1.8716 1.8763 1.8816 1.8845 2.4552 2.4825 k = 0.0417 0.0639 0.5970 ( 13486 PWs) bands (ev): -7.4996 -7.4995 -7.4993 -7.4993 -7.4936 -7.4936 -7.4933 -7.4933 -7.4900 -7.4898 -7.4895 -7.4894 -7.4843 -7.4842 -7.4840 -7.4838 -5.6848 -5.6843 -5.6828 -5.6825 -5.6760 -5.6750 -5.6743 -5.6736 -5.6592 -5.6591 -5.6589 -5.6583 -5.6578 -5.6561 -5.6543 -5.6543 -5.6439 -5.6428 -5.6423 -5.6417 -5.6317 -5.6296 -5.6289 -5.6289 -3.6342 -3.6341 -3.6340 -3.6340 -3.0168 -3.0167 -3.0166 -3.0166 1.2003 1.2008 1.2092 1.2098 1.8726 1.8775 1.8877 1.8897 2.4523 2.4939 k = 0.0556 0.0852 0.5970 ( 13494 PWs) bands (ev): -7.4995 -7.4993 -7.4991 -7.4991 -7.4936 -7.4936 -7.4933 -7.4932 -7.4901 -7.4898 -7.4895 -7.4894 -7.4845 -7.4844 -7.4841 -7.4839 -5.6849 -5.6843 -5.6824 -5.6821 -5.6755 -5.6744 -5.6734 -5.6729 -5.6593 -5.6591 -5.6588 -5.6584 -5.6580 -5.6560 -5.6544 -5.6544 -5.6447 -5.6432 -5.6428 -5.6418 -5.6320 -5.6294 -5.6293 -5.6293 -3.6284 -3.6283 -3.6282 -3.6281 -3.0270 -3.0269 -3.0268 -3.0268 1.2227 1.2233 1.2319 1.2328 1.8749 1.8798 1.8950 1.8961 2.4508 2.5068 k = 0.0694 0.1064 0.5970 ( 13490 PWs) bands (ev): -7.4993 -7.4991 -7.4988 -7.4988 -7.4936 -7.4936 -7.4932 -7.4931 -7.4902 -7.4898 -7.4895 -7.4894 -7.4847 -7.4845 -7.4843 -7.4841 -5.6848 -5.6842 -5.6820 -5.6816 -5.6748 -5.6736 -5.6726 -5.6721 -5.6593 -5.6592 -5.6589 -5.6588 -5.6577 -5.6560 -5.6544 -5.6544 -5.6456 -5.6437 -5.6434 -5.6420 -5.6324 -5.6299 -5.6298 -5.6292 -3.6210 -3.6209 -3.6208 -3.6207 -3.0398 -3.0397 -3.0396 -3.0395 1.2509 1.2517 1.2605 1.2616 1.8783 1.8830 1.9033 1.9034 2.4504 2.5142 k = 0.0833 0.1277 0.5970 ( 13490 PWs) bands (ev): -7.4991 -7.4989 -7.4986 -7.4985 -7.4936 -7.4935 -7.4931 -7.4930 -7.4902 -7.4898 -7.4896 -7.4895 -7.4850 -7.4848 -7.4846 -7.4843 -5.6846 -5.6839 -5.6817 -5.6812 -5.6739 -5.6726 -5.6716 -5.6713 -5.6595 -5.6594 -5.6593 -5.6588 -5.6574 -5.6561 -5.6545 -5.6545 -5.6465 -5.6441 -5.6441 -5.6422 -5.6327 -5.6305 -5.6305 -5.6292 -3.6121 -3.6120 -3.6118 -3.6117 -3.0549 -3.0548 -3.0547 -3.0547 1.2844 1.2854 1.2945 1.2959 1.8826 1.8871 1.9111 1.9127 2.4510 2.5234 k = 0.0972 0.1490 0.5970 ( 13486 PWs) bands (ev): -7.4988 -7.4986 -7.4982 -7.4982 -7.4935 -7.4935 -7.4930 -7.4929 -7.4903 -7.4898 -7.4896 -7.4895 -7.4853 -7.4850 -7.4848 -7.4845 -5.6842 -5.6835 -5.6813 -5.6807 -5.6729 -5.6714 -5.6707 -5.6705 -5.6602 -5.6596 -5.6595 -5.6589 -5.6569 -5.6561 -5.6547 -5.6546 -5.6472 -5.6450 -5.6445 -5.6425 -5.6331 -5.6313 -5.6312 -5.6292 -3.6016 -3.6015 -3.6014 -3.6013 -3.0722 -3.0721 -3.0719 -3.0719 1.3225 1.3238 1.3334 1.3351 1.8876 1.8916 1.9192 1.9224 2.4524 2.5342 k = 0.1111 0.1703 0.5970 ( 13488 PWs) bands (ev): -7.4985 -7.4983 -7.4979 -7.4978 -7.4935 -7.4934 -7.4929 -7.4928 -7.4903 -7.4899 -7.4897 -7.4895 -7.4856 -7.4853 -7.4852 -7.4848 -5.6838 -5.6829 -5.6809 -5.6801 -5.6718 -5.6700 -5.6697 -5.6697 -5.6608 -5.6598 -5.6598 -5.6590 -5.6564 -5.6561 -5.6550 -5.6548 -5.6477 -5.6458 -5.6450 -5.6429 -5.6336 -5.6322 -5.6321 -5.6294 -3.5898 -3.5896 -3.5895 -3.5894 -3.0913 -3.0911 -3.0910 -3.0909 1.3647 1.3664 1.3764 1.3785 1.8930 1.8963 1.9272 1.9321 2.4546 2.5463 k = 0.1250 0.1916 0.5970 ( 13496 PWs) bands (ev): -7.4982 -7.4979 -7.4975 -7.4973 -7.4935 -7.4933 -7.4928 -7.4926 -7.4904 -7.4899 -7.4897 -7.4896 -7.4860 -7.4857 -7.4855 -7.4851 -5.6831 -5.6822 -5.6804 -5.6795 -5.6706 -5.6690 -5.6689 -5.6686 -5.6615 -5.6602 -5.6601 -5.6593 -5.6559 -5.6559 -5.6555 -5.6550 -5.6480 -5.6465 -5.6454 -5.6433 -5.6341 -5.6332 -5.6330 -5.6297 -3.5766 -3.5765 -3.5763 -3.5762 -3.1118 -3.1117 -3.1115 -3.1114 1.4102 1.4124 1.4227 1.4252 1.8984 1.9008 1.9345 1.9412 2.4577 2.5591 k = 0.1389 0.2129 0.5970 ( 13498 PWs) bands (ev): -7.4979 -7.4976 -7.4972 -7.4969 -7.4934 -7.4932 -7.4928 -7.4925 -7.4904 -7.4899 -7.4898 -7.4896 -7.4864 -7.4860 -7.4859 -7.4854 -5.6824 -5.6814 -5.6799 -5.6788 -5.6694 -5.6683 -5.6682 -5.6671 -5.6621 -5.6608 -5.6605 -5.6598 -5.6560 -5.6557 -5.6553 -5.6552 -5.6479 -5.6471 -5.6457 -5.6437 -5.6348 -5.6343 -5.6340 -5.6300 -3.5622 -3.5621 -3.5619 -3.5618 -3.1335 -3.1333 -3.1331 -3.1331 1.4580 1.4610 1.4716 1.4745 1.9034 1.9045 1.9404 1.9489 2.4618 2.5720 k = 0.1528 0.2342 0.5970 ( 13506 PWs) bands (ev): -7.4976 -7.4972 -7.4968 -7.4964 -7.4934 -7.4931 -7.4929 -7.4923 -7.4903 -7.4900 -7.4899 -7.4897 -7.4868 -7.4864 -7.4862 -7.4858 -5.6815 -5.6805 -5.6793 -5.6781 -5.6683 -5.6678 -5.6677 -5.6657 -5.6624 -5.6615 -5.6610 -5.6605 -5.6565 -5.6555 -5.6552 -5.6545 -5.6476 -5.6475 -5.6460 -5.6442 -5.6355 -5.6355 -5.6351 -5.6305 -3.5469 -3.5467 -3.5466 -3.5464 -3.1559 -3.1557 -3.1555 -3.1554 1.5072 1.5112 1.5220 1.5253 1.9071 1.9074 1.9444 1.9543 2.4676 2.5844 k = 0.1667 0.2555 0.5970 ( 13502 PWs) bands (ev): -7.4972 -7.4968 -7.4965 -7.4959 -7.4933 -7.4929 -7.4929 -7.4921 -7.4902 -7.4900 -7.4899 -7.4897 -7.4872 -7.4868 -7.4866 -7.4862 -5.6805 -5.6794 -5.6787 -5.6772 -5.6678 -5.6674 -5.6672 -5.6645 -5.6626 -5.6623 -5.6615 -5.6614 -5.6570 -5.6557 -5.6545 -5.6537 -5.6479 -5.6470 -5.6463 -5.6447 -5.6368 -5.6362 -5.6362 -5.6310 -3.5308 -3.5307 -3.5305 -3.5303 -3.1785 -3.1783 -3.1781 -3.1780 1.5567 1.5622 1.5730 1.5765 1.9077 1.9098 1.9455 1.9564 2.4754 2.5954 k = 0.1806 0.2768 0.5970 ( 13506 PWs) bands (ev): -7.4969 -7.4964 -7.4962 -7.4954 -7.4933 -7.4931 -7.4927 -7.4919 -7.4901 -7.4901 -7.4900 -7.4897 -7.4876 -7.4872 -7.4870 -7.4865 -5.6794 -5.6783 -5.6780 -5.6763 -5.6681 -5.6670 -5.6667 -5.6640 -5.6630 -5.6625 -5.6625 -5.6618 -5.6573 -5.6556 -5.6537 -5.6529 -5.6480 -5.6465 -5.6463 -5.6452 -5.6381 -5.6374 -5.6370 -5.6316 -3.5144 -3.5142 -3.5140 -3.5139 -3.2008 -3.2006 -3.2003 -3.2003 1.6052 1.6129 1.6233 1.6268 1.9059 1.9101 1.9433 1.9542 2.4859 2.6037 k = 0.1944 0.2981 0.5970 ( 13502 PWs) bands (ev): -7.4966 -7.4960 -7.4959 -7.4950 -7.4933 -7.4933 -7.4924 -7.4916 -7.4901 -7.4901 -7.4899 -7.4897 -7.4881 -7.4876 -7.4874 -7.4869 -5.6782 -5.6772 -5.6772 -5.6754 -5.6686 -5.6670 -5.6664 -5.6646 -5.6636 -5.6634 -5.6622 -5.6613 -5.6575 -5.6552 -5.6527 -5.6521 -5.6480 -5.6466 -5.6458 -5.6455 -5.6396 -5.6385 -5.6379 -5.6322 -3.4981 -3.4980 -3.4978 -3.4977 -3.2220 -3.2219 -3.2216 -3.2216 1.6516 1.6622 1.6717 1.6749 1.9011 1.9075 1.9369 1.9471 2.4995 2.6081 k = 0.2083 0.3193 0.5970 ( 13478 PWs) bands (ev): -7.4963 -7.4958 -7.4955 -7.4945 -7.4935 -7.4932 -7.4921 -7.4914 -7.4902 -7.4902 -7.4897 -7.4896 -7.4885 -7.4880 -7.4878 -7.4873 -5.6770 -5.6765 -5.6761 -5.6744 -5.6691 -5.6675 -5.6666 -5.6657 -5.6640 -5.6639 -5.6619 -5.6609 -5.6577 -5.6545 -5.6516 -5.6514 -5.6479 -5.6467 -5.6463 -5.6448 -5.6410 -5.6394 -5.6387 -5.6328 -3.4829 -3.4828 -3.4826 -3.4825 -3.2412 -3.2411 -3.2408 -3.2408 1.6943 1.7087 1.7168 1.7193 1.8931 1.9014 1.9264 1.9347 2.5160 2.6076 k = 0.2222 0.3406 0.5970 ( 13474 PWs) bands (ev): -7.4961 -7.4958 -7.4951 -7.4942 -7.4938 -7.4932 -7.4918 -7.4912 -7.4903 -7.4903 -7.4897 -7.4893 -7.4889 -7.4883 -7.4881 -7.4877 -5.6758 -5.6757 -5.6751 -5.6735 -5.6696 -5.6684 -5.6673 -5.6669 -5.6643 -5.6638 -5.6615 -5.6608 -5.6578 -5.6535 -5.6510 -5.6504 -5.6478 -5.6468 -5.6468 -5.6442 -5.6424 -5.6401 -5.6395 -5.6334 -3.4700 -3.4699 -3.4698 -3.4697 -3.2570 -3.2570 -3.2568 -3.2566 1.7312 1.7507 1.7567 1.7578 1.8823 1.8919 1.9122 1.9180 2.5348 2.6015 k = 0.2361 0.3619 0.5970 ( 13462 PWs) bands (ev): -7.4959 -7.4957 -7.4948 -7.4940 -7.4940 -7.4932 -7.4915 -7.4911 -7.4904 -7.4903 -7.4896 -7.4891 -7.4891 -7.4884 -7.4883 -7.4880 -5.6750 -5.6748 -5.6745 -5.6728 -5.6697 -5.6693 -5.6681 -5.6679 -5.6643 -5.6637 -5.6612 -5.6608 -5.6578 -5.6525 -5.6510 -5.6494 -5.6476 -5.6472 -5.6467 -5.6438 -5.6436 -5.6405 -5.6401 -5.6337 -3.4610 -3.4609 -3.4609 -3.4608 -3.2678 -3.2677 -3.2676 -3.2674 1.7587 1.7842 1.7871 1.7876 1.8710 1.8808 1.8970 1.8999 2.5546 2.5898 k = 0.2500 0.3832 0.5970 ( 13472 PWs) bands (ev): -7.4958 -7.4958 -7.4945 -7.4943 -7.4939 -7.4932 -7.4912 -7.4912 -7.4904 -7.4904 -7.4896 -7.4893 -7.4890 -7.4885 -7.4885 -7.4882 -5.6745 -5.6745 -5.6744 -5.6725 -5.6697 -5.6691 -5.6691 -5.6682 -5.6643 -5.6637 -5.6609 -5.6609 -5.6579 -5.6516 -5.6516 -5.6490 -5.6474 -5.6474 -5.6466 -5.6441 -5.6436 -5.6405 -5.6405 -5.6338 -3.4577 -3.4577 -3.4577 -3.4576 -3.2716 -3.2715 -3.2715 -3.2712 1.7697 1.7994 1.7998 1.7998 1.8655 1.8748 1.8899 1.8899 2.5736 2.5736 Writing output data file Hg.save init_run : 1.37s CPU 0.90s WALL ( 1 calls) electrons : 356.03s CPU 287.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.41s CPU 0.26s WALL ( 1 calls) Called by electrons: c_bands : 356.02s CPU 287.52s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.03s WALL ( 1 calls) newd : 0.36s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.33s CPU 0.37s WALL ( 210 calls) cegterg : 302.56s CPU 255.35s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 219.18s CPU 159.89s WALL ( 6220 calls) s_psi : 7.02s CPU 5.49s WALL ( 6220 calls) g_psi : 0.36s CPU 0.30s WALL ( 5651 calls) cdiaghg : 87.71s CPU 83.82s WALL ( 5861 calls) cegterg:over : 12.17s CPU 11.43s WALL ( 5651 calls) cegterg:upda : 9.77s CPU 9.35s WALL ( 5651 calls) cegterg:last : 4.40s CPU 4.44s WALL ( 894 calls) cdiaghg:chol : 3.64s CPU 3.71s WALL ( 5861 calls) cdiaghg:inve : 1.98s CPU 1.97s WALL ( 5861 calls) cdiaghg:para : 4.72s CPU 4.69s WALL ( 11722 calls) Called by h_psi: h_psi:vloc : 201.98s CPU 146.00s WALL ( 6220 calls) h_psi:vnl : 16.86s CPU 13.56s WALL ( 6220 calls) add_vuspsi : 9.18s CPU 7.14s WALL ( 6220 calls) General routines calbec : 7.62s CPU 6.40s WALL ( 6220 calls) fft : 0.11s CPU 0.06s WALL ( 19 calls) ffts : 0.05s CPU 0.03s WALL ( 4 calls) fftw : 189.50s CPU 135.15s WALL ( 629108 calls) interpolate : 0.07s CPU 0.04s WALL ( 4 calls) davcio : 0.23s CPU 1.26s WALL ( 420 calls) Parallel routines fft_scatter : 105.82s CPU 84.75s WALL ( 629131 calls) PWSCF : 6m30.49s CPU 5m36.09s WALL This run was terminated on: 23:23:24 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=