Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:44: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Mg.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 11 3 305 144 25 Max 19 12 4 309 157 28 Sum 677 411 129 11057 5425 959 bravais-lattice index = 14 lattice parameter (alat) = 4.8327 a.u. unit-cell volume = 86.8874 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.832734 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 505 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 2) = ( 0.0046729 -0.0033042 0.0057231), wk = 0.0019802 k( 3) = ( 0.0093458 -0.0066085 0.0114462), wk = 0.0019802 k( 4) = ( 0.0140187 -0.0099127 0.0171693), wk = 0.0019802 k( 5) = ( 0.0186916 -0.0132170 0.0228924), wk = 0.0019802 k( 6) = ( 0.0233645 -0.0165212 0.0286155), wk = 0.0019802 k( 7) = ( 0.0280374 -0.0198254 0.0343386), wk = 0.0019802 k( 8) = ( 0.0327103 -0.0231297 0.0400617), wk = 0.0019802 k( 9) = ( 0.0373832 -0.0264339 0.0457849), wk = 0.0019802 k( 10) = ( 0.0420561 -0.0297381 0.0515080), wk = 0.0019802 k( 11) = ( 0.0467290 -0.0330424 0.0572311), wk = 0.0019802 k( 12) = ( 0.0514019 -0.0363466 0.0629542), wk = 0.0019802 k( 13) = ( 0.0560748 -0.0396509 0.0686773), wk = 0.0019802 k( 14) = ( 0.0607477 -0.0429551 0.0744004), wk = 0.0019802 k( 15) = ( 0.0654206 -0.0462593 0.0801235), wk = 0.0019802 k( 16) = ( 0.0700935 -0.0495636 0.0858466), wk = 0.0019802 k( 17) = ( 0.0747664 -0.0528678 0.0915697), wk = 0.0019802 k( 18) = ( 0.0794393 -0.0561720 0.0972928), wk = 0.0019802 k( 19) = ( 0.0841121 -0.0594763 0.1030159), wk = 0.0019802 k( 20) = ( 0.0887851 -0.0627805 0.1087390), wk = 0.0019802 k( 21) = ( 0.0934579 -0.0660847 0.1144621), wk = 0.0019802 k( 22) = ( 0.0981308 -0.0693890 0.1201852), wk = 0.0019802 k( 23) = ( 0.1028037 -0.0726932 0.1259084), wk = 0.0019802 k( 24) = ( 0.1074766 -0.0759975 0.1316315), wk = 0.0019802 k( 25) = ( 0.1121495 -0.0793017 0.1373546), wk = 0.0019802 k( 26) = ( 0.1168224 -0.0826059 0.1430777), wk = 0.0019802 k( 27) = ( 0.1214953 -0.0859102 0.1488008), wk = 0.0019802 k( 28) = ( 0.1261682 -0.0892144 0.1545239), wk = 0.0019802 k( 29) = ( 0.1308411 -0.0925186 0.1602470), wk = 0.0019802 k( 30) = ( 0.1355140 -0.0958229 0.1659701), wk = 0.0019802 k( 31) = ( 0.1401869 -0.0991271 0.1716932), wk = 0.0019802 k( 32) = ( 0.1448598 -0.1024314 0.1774163), wk = 0.0019802 k( 33) = ( 0.1495327 -0.1057356 0.1831394), wk = 0.0019802 k( 34) = ( 0.1542056 -0.1090398 0.1888625), wk = 0.0019802 k( 35) = ( 0.1588785 -0.1123441 0.1945856), wk = 0.0019802 k( 36) = ( 0.1635514 -0.1156483 0.2003087), wk = 0.0019802 k( 37) = ( 0.1682243 -0.1189525 0.2060318), wk = 0.0019802 k( 38) = ( 0.1728972 -0.1222568 0.2117550), wk = 0.0019802 k( 39) = ( 0.1775701 -0.1255610 0.2174781), wk = 0.0019802 k( 40) = ( 0.1822430 -0.1288653 0.2232012), wk = 0.0019802 k( 41) = ( 0.1869159 -0.1321695 0.2289243), wk = 0.0019802 k( 42) = ( 0.1915888 -0.1354737 0.2346474), wk = 0.0019802 k( 43) = ( 0.1962617 -0.1387780 0.2403705), wk = 0.0019802 k( 44) = ( 0.2009346 -0.1420822 0.2460936), wk = 0.0019802 k( 45) = ( 0.2056075 -0.1453864 0.2518167), wk = 0.0019802 k( 46) = ( 0.2102804 -0.1486907 0.2575398), wk = 0.0019802 k( 47) = ( 0.2149533 -0.1519949 0.2632629), wk = 0.0019802 k( 48) = ( 0.2196262 -0.1552992 0.2689860), wk = 0.0019802 k( 49) = ( 0.2242991 -0.1586034 0.2747091), wk = 0.0019802 k( 50) = ( 0.2289720 -0.1619076 0.2804322), wk = 0.0019802 k( 51) = ( 0.2336449 -0.1652119 0.2861553), wk = 0.0019802 k( 52) = ( 0.2383178 -0.1685161 0.2918785), wk = 0.0019802 k( 53) = ( 0.2429907 -0.1718203 0.2976016), wk = 0.0019802 k( 54) = ( 0.2476636 -0.1751246 0.3033247), wk = 0.0019802 k( 55) = ( 0.2523364 -0.1784288 0.3090478), wk = 0.0019802 k( 56) = ( 0.2570094 -0.1817331 0.3147709), wk = 0.0019802 k( 57) = ( 0.2616822 -0.1850373 0.3204940), wk = 0.0019802 k( 58) = ( 0.2663551 -0.1883415 0.3262171), wk = 0.0019802 k( 59) = ( 0.2710280 -0.1916458 0.3319402), wk = 0.0019802 k( 60) = ( 0.2757009 -0.1949500 0.3376633), wk = 0.0019802 k( 61) = ( 0.2803738 -0.1982542 0.3433864), wk = 0.0019802 k( 62) = ( 0.2850467 -0.2015585 0.3491095), wk = 0.0019802 k( 63) = ( 0.2897196 -0.2048627 0.3548326), wk = 0.0019802 k( 64) = ( 0.2943925 -0.2081669 0.3605557), wk = 0.0019802 k( 65) = ( 0.2990654 -0.2114712 0.3662788), wk = 0.0019802 k( 66) = ( 0.3037383 -0.2147754 0.3720019), wk = 0.0019802 k( 67) = ( 0.3084112 -0.2180797 0.3777250), wk = 0.0019802 k( 68) = ( 0.3130841 -0.2213839 0.3834482), wk = 0.0019802 k( 69) = ( 0.3177570 -0.2246881 0.3891713), wk = 0.0019802 k( 70) = ( 0.3224299 -0.2279924 0.3948944), wk = 0.0019802 k( 71) = ( 0.3271028 -0.2312966 0.4006175), wk = 0.0019802 k( 72) = ( 0.3317757 -0.2346008 0.4063406), wk = 0.0019802 k( 73) = ( 0.3364486 -0.2379051 0.4120637), wk = 0.0019802 k( 74) = ( 0.3411215 -0.2412093 0.4177868), wk = 0.0019802 k( 75) = ( 0.3457944 -0.2445136 0.4235099), wk = 0.0019802 k( 76) = ( 0.3504673 -0.2478178 0.4292330), wk = 0.0019802 k( 77) = ( 0.3551402 -0.2511220 0.4349561), wk = 0.0019802 k( 78) = ( 0.3598131 -0.2544263 0.4406792), wk = 0.0019802 k( 79) = ( 0.3644860 -0.2577305 0.4464023), wk = 0.0019802 k( 80) = ( 0.3691589 -0.2610347 0.4521254), wk = 0.0019802 k( 81) = ( 0.3738318 -0.2643390 0.4578486), wk = 0.0019802 k( 82) = ( 0.3785047 -0.2676432 0.4635717), wk = 0.0019802 k( 83) = ( 0.3831776 -0.2709475 0.4692948), wk = 0.0019802 k( 84) = ( 0.3878505 -0.2742517 0.4750179), wk = 0.0019802 k( 85) = ( 0.3925234 -0.2775559 0.4807410), wk = 0.0019802 k( 86) = ( 0.3971963 -0.2808602 0.4864641), wk = 0.0019802 k( 87) = ( 0.4018692 -0.2841644 0.4921872), wk = 0.0019802 k( 88) = ( 0.4065421 -0.2874686 0.4979103), wk = 0.0019802 k( 89) = ( 0.4112150 -0.2907729 0.5036334), wk = 0.0019802 k( 90) = ( 0.4158879 -0.2940771 0.5093565), wk = 0.0019802 k( 91) = ( 0.4205607 -0.2973814 0.5150796), wk = 0.0019802 k( 92) = ( 0.4252336 -0.3006856 0.5208027), wk = 0.0019802 k( 93) = ( 0.4299065 -0.3039898 0.5265258), wk = 0.0019802 k( 94) = ( 0.4345794 -0.3072941 0.5322489), wk = 0.0019802 k( 95) = ( 0.4392523 -0.3105983 0.5379721), wk = 0.0019802 k( 96) = ( 0.4439252 -0.3139025 0.5436951), wk = 0.0019802 k( 97) = ( 0.4485981 -0.3172068 0.5494183), wk = 0.0019802 k( 98) = ( 0.4532710 -0.3205110 0.5551414), wk = 0.0019802 k( 99) = ( 0.4579439 -0.3238153 0.5608645), wk = 0.0019802 k( 100) = ( 0.4626168 -0.3271195 0.5665876), wk = 0.0019802 k( 101) = ( 0.4672897 -0.3304237 0.5723107), wk = 0.0019802 k( 102) = ( 0.4719626 -0.3337280 0.5780338), wk = 0.0019802 k( 103) = ( 0.4766355 -0.3370322 0.5837569), wk = 0.0019802 k( 104) = ( 0.4813084 -0.3403364 0.5894800), wk = 0.0019802 k( 105) = ( 0.4859813 -0.3436407 0.5952031), wk = 0.0019802 k( 106) = ( 0.4906542 -0.3469449 0.6009262), wk = 0.0019802 k( 107) = ( 0.4953271 -0.3502492 0.6066493), wk = 0.0019802 k( 108) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019802 k( 109) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019802 k( 110) = ( 0.4934211 -0.3489014 0.6123724), wk = 0.0019802 k( 111) = ( 0.4868421 -0.3442494 0.6123724), wk = 0.0019802 k( 112) = ( 0.4802632 -0.3395973 0.6123724), wk = 0.0019802 k( 113) = ( 0.4736842 -0.3349453 0.6123724), wk = 0.0019802 k( 114) = ( 0.4671053 -0.3302933 0.6123724), wk = 0.0019802 k( 115) = ( 0.4605263 -0.3256413 0.6123724), wk = 0.0019802 k( 116) = ( 0.4539474 -0.3209893 0.6123724), wk = 0.0019802 k( 117) = ( 0.4473684 -0.3163372 0.6123724), wk = 0.0019802 k( 118) = ( 0.4407895 -0.3116852 0.6123724), wk = 0.0019802 k( 119) = ( 0.4342105 -0.3070332 0.6123724), wk = 0.0019802 k( 120) = ( 0.4276316 -0.3023812 0.6123724), wk = 0.0019802 k( 121) = ( 0.4210526 -0.2977292 0.6123724), wk = 0.0019802 k( 122) = ( 0.4144737 -0.2930771 0.6123724), wk = 0.0019802 k( 123) = ( 0.4078947 -0.2884251 0.6123724), wk = 0.0019802 k( 124) = ( 0.4013158 -0.2837731 0.6123724), wk = 0.0019802 k( 125) = ( 0.3947368 -0.2791211 0.6123724), wk = 0.0019802 k( 126) = ( 0.3881579 -0.2744691 0.6123724), wk = 0.0019802 k( 127) = ( 0.3815789 -0.2698171 0.6123724), wk = 0.0019802 k( 128) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0019802 k( 129) = ( 0.3684211 -0.2605130 0.6123724), wk = 0.0019802 k( 130) = ( 0.3618421 -0.2558610 0.6123724), wk = 0.0019802 k( 131) = ( 0.3552632 -0.2512090 0.6123724), wk = 0.0019802 k( 132) = ( 0.3486842 -0.2465570 0.6123724), wk = 0.0019802 k( 133) = ( 0.3421053 -0.2419049 0.6123724), wk = 0.0019802 k( 134) = ( 0.3355263 -0.2372529 0.6123724), wk = 0.0019802 k( 135) = ( 0.3289474 -0.2326009 0.6123724), wk = 0.0019802 k( 136) = ( 0.3223684 -0.2279489 0.6123724), wk = 0.0019802 k( 137) = ( 0.3157895 -0.2232969 0.6123724), wk = 0.0019802 k( 138) = ( 0.3092105 -0.2186449 0.6123724), wk = 0.0019802 k( 139) = ( 0.3026316 -0.2139928 0.6123724), wk = 0.0019802 k( 140) = ( 0.2960526 -0.2093408 0.6123724), wk = 0.0019802 k( 141) = ( 0.2894737 -0.2046888 0.6123724), wk = 0.0019802 k( 142) = ( 0.2828947 -0.2000368 0.6123724), wk = 0.0019802 k( 143) = ( 0.2763158 -0.1953848 0.6123724), wk = 0.0019802 k( 144) = ( 0.2697368 -0.1907327 0.6123724), wk = 0.0019802 k( 145) = ( 0.2631579 -0.1860807 0.6123724), wk = 0.0019802 k( 146) = ( 0.2565789 -0.1814287 0.6123724), wk = 0.0019802 k( 147) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0019802 k( 148) = ( 0.2434210 -0.1721247 0.6123724), wk = 0.0019802 k( 149) = ( 0.2368421 -0.1674727 0.6123724), wk = 0.0019802 k( 150) = ( 0.2302632 -0.1628206 0.6123724), wk = 0.0019802 k( 151) = ( 0.2236842 -0.1581686 0.6123724), wk = 0.0019802 k( 152) = ( 0.2171053 -0.1535166 0.6123724), wk = 0.0019802 k( 153) = ( 0.2105263 -0.1488646 0.6123724), wk = 0.0019802 k( 154) = ( 0.2039474 -0.1442126 0.6123724), wk = 0.0019802 k( 155) = ( 0.1973684 -0.1395605 0.6123724), wk = 0.0019802 k( 156) = ( 0.1907895 -0.1349085 0.6123724), wk = 0.0019802 k( 157) = ( 0.1842105 -0.1302565 0.6123724), wk = 0.0019802 k( 158) = ( 0.1776316 -0.1256045 0.6123724), wk = 0.0019802 k( 159) = ( 0.1710526 -0.1209525 0.6123724), wk = 0.0019802 k( 160) = ( 0.1644737 -0.1163005 0.6123724), wk = 0.0019802 k( 161) = ( 0.1578947 -0.1116484 0.6123724), wk = 0.0019802 k( 162) = ( 0.1513158 -0.1069964 0.6123724), wk = 0.0019802 k( 163) = ( 0.1447368 -0.1023444 0.6123724), wk = 0.0019802 k( 164) = ( 0.1381579 -0.0976924 0.6123724), wk = 0.0019802 k( 165) = ( 0.1315790 -0.0930404 0.6123724), wk = 0.0019802 k( 166) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0019802 k( 167) = ( 0.1184210 -0.0837363 0.6123724), wk = 0.0019802 k( 168) = ( 0.1118421 -0.0790843 0.6123724), wk = 0.0019802 k( 169) = ( 0.1052632 -0.0744323 0.6123724), wk = 0.0019802 k( 170) = ( 0.0986842 -0.0697803 0.6123724), wk = 0.0019802 k( 171) = ( 0.0921053 -0.0651283 0.6123724), wk = 0.0019802 k( 172) = ( 0.0855263 -0.0604762 0.6123724), wk = 0.0019802 k( 173) = ( 0.0789474 -0.0558242 0.6123724), wk = 0.0019802 k( 174) = ( 0.0723684 -0.0511722 0.6123724), wk = 0.0019802 k( 175) = ( 0.0657895 -0.0465202 0.6123724), wk = 0.0019802 k( 176) = ( 0.0592105 -0.0418682 0.6123724), wk = 0.0019802 k( 177) = ( 0.0526316 -0.0372161 0.6123724), wk = 0.0019802 k( 178) = ( 0.0460526 -0.0325641 0.6123724), wk = 0.0019802 k( 179) = ( 0.0394737 -0.0279121 0.6123724), wk = 0.0019802 k( 180) = ( 0.0328947 -0.0232601 0.6123724), wk = 0.0019802 k( 181) = ( 0.0263158 -0.0186081 0.6123724), wk = 0.0019802 k( 182) = ( 0.0197368 -0.0139561 0.6123724), wk = 0.0019802 k( 183) = ( 0.0131579 -0.0093040 0.6123724), wk = 0.0019802 k( 184) = ( 0.0065790 -0.0046520 0.6123724), wk = 0.0019802 k( 185) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019802 k( 186) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019802 k( 187) = ( 0.0000000 0.0000000 0.6043149), wk = 0.0019802 k( 188) = ( 0.0000000 0.0000000 0.5962574), wk = 0.0019802 k( 189) = ( 0.0000000 0.0000000 0.5881998), wk = 0.0019802 k( 190) = ( 0.0000000 0.0000000 0.5801423), wk = 0.0019802 k( 191) = ( 0.0000000 0.0000000 0.5720848), wk = 0.0019802 k( 192) = ( 0.0000000 0.0000000 0.5640272), wk = 0.0019802 k( 193) = ( 0.0000000 0.0000000 0.5559697), wk = 0.0019802 k( 194) = ( 0.0000000 0.0000000 0.5479122), wk = 0.0019802 k( 195) = ( 0.0000000 0.0000000 0.5398546), wk = 0.0019802 k( 196) = ( 0.0000000 0.0000000 0.5317971), wk = 0.0019802 k( 197) = ( 0.0000000 0.0000000 0.5237396), wk = 0.0019802 k( 198) = ( 0.0000000 0.0000000 0.5156820), wk = 0.0019802 k( 199) = ( 0.0000000 0.0000000 0.5076245), wk = 0.0019802 k( 200) = ( 0.0000000 0.0000000 0.4995670), wk = 0.0019802 k( 201) = ( 0.0000000 0.0000000 0.4915095), wk = 0.0019802 k( 202) = ( 0.0000000 0.0000000 0.4834519), wk = 0.0019802 k( 203) = ( 0.0000000 0.0000000 0.4753944), wk = 0.0019802 k( 204) = ( 0.0000000 0.0000000 0.4673369), wk = 0.0019802 k( 205) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0019802 k( 206) = ( 0.0000000 0.0000000 0.4512218), wk = 0.0019802 k( 207) = ( 0.0000000 0.0000000 0.4431643), wk = 0.0019802 k( 208) = ( 0.0000000 0.0000000 0.4351067), wk = 0.0019802 k( 209) = ( 0.0000000 0.0000000 0.4270492), wk = 0.0019802 k( 210) = ( 0.0000000 0.0000000 0.4189917), wk = 0.0019802 k( 211) = ( 0.0000000 0.0000000 0.4109341), wk = 0.0019802 k( 212) = ( 0.0000000 0.0000000 0.4028766), wk = 0.0019802 k( 213) = ( 0.0000000 0.0000000 0.3948191), wk = 0.0019802 k( 214) = ( 0.0000000 0.0000000 0.3867615), wk = 0.0019802 k( 215) = ( 0.0000000 0.0000000 0.3787040), wk = 0.0019802 k( 216) = ( 0.0000000 0.0000000 0.3706465), wk = 0.0019802 k( 217) = ( 0.0000000 0.0000000 0.3625889), wk = 0.0019802 k( 218) = ( 0.0000000 0.0000000 0.3545314), wk = 0.0019802 k( 219) = ( 0.0000000 0.0000000 0.3464739), wk = 0.0019802 k( 220) = ( 0.0000000 0.0000000 0.3384163), wk = 0.0019802 k( 221) = ( 0.0000000 0.0000000 0.3303588), wk = 0.0019802 k( 222) = ( 0.0000000 0.0000000 0.3223013), wk = 0.0019802 k( 223) = ( 0.0000000 0.0000000 0.3142438), wk = 0.0019802 k( 224) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0019802 k( 225) = ( 0.0000000 0.0000000 0.2981287), wk = 0.0019802 k( 226) = ( 0.0000000 0.0000000 0.2900712), wk = 0.0019802 k( 227) = ( 0.0000000 0.0000000 0.2820136), wk = 0.0019802 k( 228) = ( 0.0000000 0.0000000 0.2739561), wk = 0.0019802 k( 229) = ( 0.0000000 0.0000000 0.2658986), wk = 0.0019802 k( 230) = ( 0.0000000 0.0000000 0.2578410), wk = 0.0019802 k( 231) = ( 0.0000000 0.0000000 0.2497835), wk = 0.0019802 k( 232) = ( 0.0000000 0.0000000 0.2417260), wk = 0.0019802 k( 233) = ( 0.0000000 0.0000000 0.2336684), wk = 0.0019802 k( 234) = ( 0.0000000 0.0000000 0.2256109), wk = 0.0019802 k( 235) = ( 0.0000000 0.0000000 0.2175534), wk = 0.0019802 k( 236) = ( 0.0000000 0.0000000 0.2094958), wk = 0.0019802 k( 237) = ( 0.0000000 0.0000000 0.2014383), wk = 0.0019802 k( 238) = ( 0.0000000 0.0000000 0.1933808), wk = 0.0019802 k( 239) = ( 0.0000000 0.0000000 0.1853232), wk = 0.0019802 k( 240) = ( 0.0000000 0.0000000 0.1772657), wk = 0.0019802 k( 241) = ( 0.0000000 0.0000000 0.1692082), wk = 0.0019802 k( 242) = ( 0.0000000 0.0000000 0.1611506), wk = 0.0019802 k( 243) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0019802 k( 244) = ( 0.0000000 0.0000000 0.1450356), wk = 0.0019802 k( 245) = ( 0.0000000 0.0000000 0.1369781), wk = 0.0019802 k( 246) = ( 0.0000000 0.0000000 0.1289205), wk = 0.0019802 k( 247) = ( 0.0000000 0.0000000 0.1208630), wk = 0.0019802 k( 248) = ( 0.0000000 0.0000000 0.1128054), wk = 0.0019802 k( 249) = ( 0.0000000 0.0000000 0.1047479), wk = 0.0019802 k( 250) = ( 0.0000000 0.0000000 0.0966904), wk = 0.0019802 k( 251) = ( 0.0000000 0.0000000 0.0886329), wk = 0.0019802 k( 252) = ( 0.0000000 0.0000000 0.0805753), wk = 0.0019802 k( 253) = ( 0.0000000 0.0000000 0.0725178), wk = 0.0019802 k( 254) = ( 0.0000000 0.0000000 0.0644603), wk = 0.0019802 k( 255) = ( 0.0000000 0.0000000 0.0564027), wk = 0.0019802 k( 256) = ( 0.0000000 0.0000000 0.0483452), wk = 0.0019802 k( 257) = ( 0.0000000 0.0000000 0.0402877), wk = 0.0019802 k( 258) = ( 0.0000000 0.0000000 0.0322301), wk = 0.0019802 k( 259) = ( 0.0000000 0.0000000 0.0241726), wk = 0.0019802 k( 260) = ( 0.0000000 0.0000000 0.0161151), wk = 0.0019802 k( 261) = ( 0.0000000 0.0000000 0.0080575), wk = 0.0019802 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 264) = ( 0.0026882 0.0038016 0.0065846), wk = 0.0019802 k( 265) = ( 0.0053763 0.0076033 0.0131693), wk = 0.0019802 k( 266) = ( 0.0080645 0.0114050 0.0197540), wk = 0.0019802 k( 267) = ( 0.0107527 0.0152066 0.0263386), wk = 0.0019802 k( 268) = ( 0.0134409 0.0190082 0.0329232), wk = 0.0019802 k( 269) = ( 0.0161290 0.0228099 0.0395079), wk = 0.0019802 k( 270) = ( 0.0188172 0.0266115 0.0460925), wk = 0.0019802 k( 271) = ( 0.0215054 0.0304132 0.0526772), wk = 0.0019802 k( 272) = ( 0.0241936 0.0342148 0.0592619), wk = 0.0019802 k( 273) = ( 0.0268817 0.0380165 0.0658465), wk = 0.0019802 k( 274) = ( 0.0295699 0.0418181 0.0724311), wk = 0.0019802 k( 275) = ( 0.0322581 0.0456198 0.0790158), wk = 0.0019802 k( 276) = ( 0.0349462 0.0494214 0.0856005), wk = 0.0019802 k( 277) = ( 0.0376344 0.0532231 0.0921851), wk = 0.0019802 k( 278) = ( 0.0403226 0.0570247 0.0987697), wk = 0.0019802 k( 279) = ( 0.0430108 0.0608264 0.1053544), wk = 0.0019802 k( 280) = ( 0.0456989 0.0646280 0.1119390), wk = 0.0019802 k( 281) = ( 0.0483871 0.0684297 0.1185237), wk = 0.0019802 k( 282) = ( 0.0510753 0.0722313 0.1251083), wk = 0.0019802 k( 283) = ( 0.0537634 0.0760330 0.1316930), wk = 0.0019802 k( 284) = ( 0.0564516 0.0798346 0.1382776), wk = 0.0019802 k( 285) = ( 0.0591398 0.0836363 0.1448623), wk = 0.0019802 k( 286) = ( 0.0618280 0.0874379 0.1514470), wk = 0.0019802 k( 287) = ( 0.0645161 0.0912396 0.1580316), wk = 0.0019802 k( 288) = ( 0.0672043 0.0950412 0.1646162), wk = 0.0019802 k( 289) = ( 0.0698925 0.0988429 0.1712009), wk = 0.0019802 k( 290) = ( 0.0725806 0.1026445 0.1777856), wk = 0.0019802 k( 291) = ( 0.0752688 0.1064462 0.1843702), wk = 0.0019802 k( 292) = ( 0.0779570 0.1102478 0.1909548), wk = 0.0019802 k( 293) = ( 0.0806452 0.1140495 0.1975395), wk = 0.0019802 k( 294) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0019802 k( 295) = ( 0.0860215 0.1216528 0.2107088), wk = 0.0019802 k( 296) = ( 0.0887097 0.1254544 0.2172935), wk = 0.0019802 k( 297) = ( 0.0913979 0.1292561 0.2238781), wk = 0.0019802 k( 298) = ( 0.0940860 0.1330577 0.2304627), wk = 0.0019802 k( 299) = ( 0.0967742 0.1368594 0.2370474), wk = 0.0019802 k( 300) = ( 0.0994624 0.1406610 0.2436321), wk = 0.0019802 k( 301) = ( 0.1021505 0.1444627 0.2502167), wk = 0.0019802 k( 302) = ( 0.1048387 0.1482643 0.2568013), wk = 0.0019802 k( 303) = ( 0.1075269 0.1520660 0.2633860), wk = 0.0019802 k( 304) = ( 0.1102150 0.1558676 0.2699706), wk = 0.0019802 k( 305) = ( 0.1129032 0.1596693 0.2765553), wk = 0.0019802 k( 306) = ( 0.1155914 0.1634709 0.2831399), wk = 0.0019802 k( 307) = ( 0.1182796 0.1672726 0.2897246), wk = 0.0019802 k( 308) = ( 0.1209677 0.1710742 0.2963092), wk = 0.0019802 k( 309) = ( 0.1236559 0.1748759 0.3028939), wk = 0.0019802 k( 310) = ( 0.1263441 0.1786775 0.3094786), wk = 0.0019802 k( 311) = ( 0.1290323 0.1824792 0.3160632), wk = 0.0019802 k( 312) = ( 0.1317204 0.1862808 0.3226478), wk = 0.0019802 k( 313) = ( 0.1344086 0.1900825 0.3292325), wk = 0.0019802 k( 314) = ( 0.1370968 0.1938841 0.3358171), wk = 0.0019802 k( 315) = ( 0.1397849 0.1976858 0.3424018), wk = 0.0019802 k( 316) = ( 0.1424731 0.2014874 0.3489864), wk = 0.0019802 k( 317) = ( 0.1451613 0.2052891 0.3555711), wk = 0.0019802 k( 318) = ( 0.1478495 0.2090907 0.3621557), wk = 0.0019802 k( 319) = ( 0.1505376 0.2128924 0.3687404), wk = 0.0019802 k( 320) = ( 0.1532258 0.2166940 0.3753250), wk = 0.0019802 k( 321) = ( 0.1559140 0.2204957 0.3819097), wk = 0.0019802 k( 322) = ( 0.1586021 0.2242973 0.3884943), wk = 0.0019802 k( 323) = ( 0.1612903 0.2280990 0.3950790), wk = 0.0019802 k( 324) = ( 0.1639785 0.2319006 0.4016636), wk = 0.0019802 k( 325) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0019802 k( 326) = ( 0.1693548 0.2395039 0.4148329), wk = 0.0019802 k( 327) = ( 0.1720430 0.2433056 0.4214176), wk = 0.0019802 k( 328) = ( 0.1747312 0.2471072 0.4280022), wk = 0.0019802 k( 329) = ( 0.1774194 0.2509089 0.4345869), wk = 0.0019802 k( 330) = ( 0.1801075 0.2547105 0.4411715), wk = 0.0019802 k( 331) = ( 0.1827957 0.2585122 0.4477562), wk = 0.0019802 k( 332) = ( 0.1854839 0.2623138 0.4543408), wk = 0.0019802 k( 333) = ( 0.1881720 0.2661155 0.4609255), wk = 0.0019802 k( 334) = ( 0.1908602 0.2699171 0.4675102), wk = 0.0019802 k( 335) = ( 0.1935484 0.2737188 0.4740948), wk = 0.0019802 k( 336) = ( 0.1962366 0.2775204 0.4806794), wk = 0.0019802 k( 337) = ( 0.1989247 0.2813221 0.4872641), wk = 0.0019802 k( 338) = ( 0.2016129 0.2851237 0.4938487), wk = 0.0019802 k( 339) = ( 0.2043011 0.2889254 0.5004334), wk = 0.0019802 k( 340) = ( 0.2069893 0.2927270 0.5070180), wk = 0.0019802 k( 341) = ( 0.2096774 0.2965287 0.5136027), wk = 0.0019802 k( 342) = ( 0.2123656 0.3003303 0.5201873), wk = 0.0019802 k( 343) = ( 0.2150538 0.3041319 0.5267720), wk = 0.0019802 k( 344) = ( 0.2177419 0.3079336 0.5333566), wk = 0.0019802 k( 345) = ( 0.2204301 0.3117353 0.5399413), wk = 0.0019802 k( 346) = ( 0.2231183 0.3155369 0.5465259), wk = 0.0019802 k( 347) = ( 0.2258064 0.3193385 0.5531106), wk = 0.0019802 k( 348) = ( 0.2284946 0.3231402 0.5596952), wk = 0.0019802 k( 349) = ( 0.2311828 0.3269419 0.5662799), wk = 0.0019802 k( 350) = ( 0.2338710 0.3307435 0.5728645), wk = 0.0019802 k( 351) = ( 0.2365591 0.3345451 0.5794492), wk = 0.0019802 k( 352) = ( 0.2392473 0.3383468 0.5860338), wk = 0.0019802 k( 353) = ( 0.2419355 0.3421484 0.5926185), wk = 0.0019802 k( 354) = ( 0.2446237 0.3459501 0.5992031), wk = 0.0019802 k( 355) = ( 0.2473118 0.3497517 0.6057878), wk = 0.0019802 k( 356) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019802 k( 357) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019802 k( 358) = ( 0.2526882 0.3459501 0.6123724), wk = 0.0019802 k( 359) = ( 0.2553763 0.3383468 0.6123724), wk = 0.0019802 k( 360) = ( 0.2580645 0.3307435 0.6123724), wk = 0.0019802 k( 361) = ( 0.2607527 0.3231402 0.6123724), wk = 0.0019802 k( 362) = ( 0.2634409 0.3155369 0.6123724), wk = 0.0019802 k( 363) = ( 0.2661290 0.3079336 0.6123724), wk = 0.0019802 k( 364) = ( 0.2688172 0.3003303 0.6123724), wk = 0.0019802 k( 365) = ( 0.2715054 0.2927270 0.6123724), wk = 0.0019802 k( 366) = ( 0.2741936 0.2851237 0.6123724), wk = 0.0019802 k( 367) = ( 0.2768817 0.2775204 0.6123724), wk = 0.0019802 k( 368) = ( 0.2795699 0.2699171 0.6123724), wk = 0.0019802 k( 369) = ( 0.2822581 0.2623138 0.6123724), wk = 0.0019802 k( 370) = ( 0.2849462 0.2547105 0.6123724), wk = 0.0019802 k( 371) = ( 0.2876344 0.2471072 0.6123724), wk = 0.0019802 k( 372) = ( 0.2903226 0.2395039 0.6123724), wk = 0.0019802 k( 373) = ( 0.2930107 0.2319006 0.6123724), wk = 0.0019802 k( 374) = ( 0.2956989 0.2242973 0.6123724), wk = 0.0019802 k( 375) = ( 0.2983871 0.2166940 0.6123724), wk = 0.0019802 k( 376) = ( 0.3010753 0.2090907 0.6123724), wk = 0.0019802 k( 377) = ( 0.3037634 0.2014874 0.6123724), wk = 0.0019802 k( 378) = ( 0.3064516 0.1938841 0.6123724), wk = 0.0019802 k( 379) = ( 0.3091398 0.1862808 0.6123724), wk = 0.0019802 k( 380) = ( 0.3118280 0.1786775 0.6123724), wk = 0.0019802 k( 381) = ( 0.3145161 0.1710742 0.6123724), wk = 0.0019802 k( 382) = ( 0.3172043 0.1634709 0.6123724), wk = 0.0019802 k( 383) = ( 0.3198925 0.1558676 0.6123724), wk = 0.0019802 k( 384) = ( 0.3225807 0.1482643 0.6123724), wk = 0.0019802 k( 385) = ( 0.3252688 0.1406610 0.6123724), wk = 0.0019802 k( 386) = ( 0.3279570 0.1330577 0.6123724), wk = 0.0019802 k( 387) = ( 0.3306452 0.1254544 0.6123724), wk = 0.0019802 k( 388) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0019802 k( 389) = ( 0.3360215 0.1102478 0.6123724), wk = 0.0019802 k( 390) = ( 0.3387097 0.1026445 0.6123724), wk = 0.0019802 k( 391) = ( 0.3413979 0.0950412 0.6123724), wk = 0.0019802 k( 392) = ( 0.3440860 0.0874379 0.6123724), wk = 0.0019802 k( 393) = ( 0.3467742 0.0798346 0.6123724), wk = 0.0019802 k( 394) = ( 0.3494624 0.0722313 0.6123724), wk = 0.0019802 k( 395) = ( 0.3521505 0.0646280 0.6123724), wk = 0.0019802 k( 396) = ( 0.3548387 0.0570247 0.6123724), wk = 0.0019802 k( 397) = ( 0.3575269 0.0494214 0.6123724), wk = 0.0019802 k( 398) = ( 0.3602150 0.0418181 0.6123724), wk = 0.0019802 k( 399) = ( 0.3629032 0.0342148 0.6123724), wk = 0.0019802 k( 400) = ( 0.3655914 0.0266116 0.6123724), wk = 0.0019802 k( 401) = ( 0.3682796 0.0190082 0.6123724), wk = 0.0019802 k( 402) = ( 0.3709677 0.0114049 0.6123724), wk = 0.0019802 k( 403) = ( 0.3736559 0.0038017 0.6123724), wk = 0.0019802 k( 404) = ( 0.3763441 -0.0038017 0.6123724), wk = 0.0019802 k( 405) = ( 0.3790323 -0.0114049 0.6123724), wk = 0.0019802 k( 406) = ( 0.3817204 -0.0190082 0.6123724), wk = 0.0019802 k( 407) = ( 0.3844086 -0.0266116 0.6123724), wk = 0.0019802 k( 408) = ( 0.3870968 -0.0342148 0.6123724), wk = 0.0019802 k( 409) = ( 0.3897850 -0.0418181 0.6123724), wk = 0.0019802 k( 410) = ( 0.3924731 -0.0494214 0.6123724), wk = 0.0019802 k( 411) = ( 0.3951613 -0.0570247 0.6123724), wk = 0.0019802 k( 412) = ( 0.3978495 -0.0646280 0.6123724), wk = 0.0019802 k( 413) = ( 0.4005376 -0.0722313 0.6123724), wk = 0.0019802 k( 414) = ( 0.4032258 -0.0798346 0.6123724), wk = 0.0019802 k( 415) = ( 0.4059140 -0.0874379 0.6123724), wk = 0.0019802 k( 416) = ( 0.4086021 -0.0950412 0.6123724), wk = 0.0019802 k( 417) = ( 0.4112903 -0.1026445 0.6123724), wk = 0.0019802 k( 418) = ( 0.4139785 -0.1102478 0.6123724), wk = 0.0019802 k( 419) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0019802 k( 420) = ( 0.4193548 -0.1254544 0.6123724), wk = 0.0019802 k( 421) = ( 0.4220430 -0.1330577 0.6123724), wk = 0.0019802 k( 422) = ( 0.4247312 -0.1406610 0.6123724), wk = 0.0019802 k( 423) = ( 0.4274193 -0.1482643 0.6123724), wk = 0.0019802 k( 424) = ( 0.4301075 -0.1558676 0.6123724), wk = 0.0019802 k( 425) = ( 0.4327957 -0.1634709 0.6123724), wk = 0.0019802 k( 426) = ( 0.4354839 -0.1710742 0.6123724), wk = 0.0019802 k( 427) = ( 0.4381720 -0.1786775 0.6123724), wk = 0.0019802 k( 428) = ( 0.4408602 -0.1862808 0.6123724), wk = 0.0019802 k( 429) = ( 0.4435484 -0.1938841 0.6123724), wk = 0.0019802 k( 430) = ( 0.4462366 -0.2014874 0.6123724), wk = 0.0019802 k( 431) = ( 0.4489247 -0.2090907 0.6123724), wk = 0.0019802 k( 432) = ( 0.4516129 -0.2166940 0.6123724), wk = 0.0019802 k( 433) = ( 0.4543011 -0.2242973 0.6123724), wk = 0.0019802 k( 434) = ( 0.4569893 -0.2319006 0.6123724), wk = 0.0019802 k( 435) = ( 0.4596774 -0.2395039 0.6123724), wk = 0.0019802 k( 436) = ( 0.4623656 -0.2471072 0.6123724), wk = 0.0019802 k( 437) = ( 0.4650538 -0.2547105 0.6123724), wk = 0.0019802 k( 438) = ( 0.4677419 -0.2623138 0.6123724), wk = 0.0019802 k( 439) = ( 0.4704301 -0.2699171 0.6123724), wk = 0.0019802 k( 440) = ( 0.4731183 -0.2775204 0.6123724), wk = 0.0019802 k( 441) = ( 0.4758064 -0.2851237 0.6123724), wk = 0.0019802 k( 442) = ( 0.4784946 -0.2927270 0.6123724), wk = 0.0019802 k( 443) = ( 0.4811828 -0.3003303 0.6123724), wk = 0.0019802 k( 444) = ( 0.4838710 -0.3079336 0.6123724), wk = 0.0019802 k( 445) = ( 0.4865591 -0.3155369 0.6123724), wk = 0.0019802 k( 446) = ( 0.4892473 -0.3231402 0.6123724), wk = 0.0019802 k( 447) = ( 0.4919355 -0.3307435 0.6123724), wk = 0.0019802 k( 448) = ( 0.4946237 -0.3383468 0.6123724), wk = 0.0019802 k( 449) = ( 0.4973118 -0.3459501 0.6123724), wk = 0.0019802 k( 450) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0019802 k( 451) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0019802 k( 452) = ( 0.2453704 0.3470061 0.6123724), wk = 0.0019802 k( 453) = ( 0.2407407 0.3404588 0.6123724), wk = 0.0019802 k( 454) = ( 0.2361111 0.3339115 0.6123724), wk = 0.0019802 k( 455) = ( 0.2314815 0.3273642 0.6123724), wk = 0.0019802 k( 456) = ( 0.2268518 0.3208170 0.6123724), wk = 0.0019802 k( 457) = ( 0.2222222 0.3142697 0.6123724), wk = 0.0019802 k( 458) = ( 0.2175926 0.3077224 0.6123724), wk = 0.0019802 k( 459) = ( 0.2129630 0.3011751 0.6123724), wk = 0.0019802 k( 460) = ( 0.2083333 0.2946278 0.6123724), wk = 0.0019802 k( 461) = ( 0.2037037 0.2880805 0.6123724), wk = 0.0019802 k( 462) = ( 0.1990741 0.2815332 0.6123724), wk = 0.0019802 k( 463) = ( 0.1944444 0.2749860 0.6123724), wk = 0.0019802 k( 464) = ( 0.1898148 0.2684387 0.6123724), wk = 0.0019802 k( 465) = ( 0.1851852 0.2618914 0.6123724), wk = 0.0019802 k( 466) = ( 0.1805556 0.2553441 0.6123724), wk = 0.0019802 k( 467) = ( 0.1759259 0.2487968 0.6123724), wk = 0.0019802 k( 468) = ( 0.1712963 0.2422496 0.6123724), wk = 0.0019802 k( 469) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0019802 k( 470) = ( 0.1620370 0.2291550 0.6123724), wk = 0.0019802 k( 471) = ( 0.1574074 0.2226077 0.6123724), wk = 0.0019802 k( 472) = ( 0.1527778 0.2160604 0.6123724), wk = 0.0019802 k( 473) = ( 0.1481482 0.2095131 0.6123724), wk = 0.0019802 k( 474) = ( 0.1435185 0.2029658 0.6123724), wk = 0.0019802 k( 475) = ( 0.1388889 0.1964186 0.6123724), wk = 0.0019802 k( 476) = ( 0.1342593 0.1898713 0.6123724), wk = 0.0019802 k( 477) = ( 0.1296296 0.1833240 0.6123724), wk = 0.0019802 k( 478) = ( 0.1250000 0.1767767 0.6123724), wk = 0.0019802 k( 479) = ( 0.1203704 0.1702294 0.6123724), wk = 0.0019802 k( 480) = ( 0.1157407 0.1636821 0.6123724), wk = 0.0019802 k( 481) = ( 0.1111111 0.1571348 0.6123724), wk = 0.0019802 k( 482) = ( 0.1064815 0.1505876 0.6123724), wk = 0.0019802 k( 483) = ( 0.1018518 0.1440403 0.6123724), wk = 0.0019802 k( 484) = ( 0.0972222 0.1374930 0.6123724), wk = 0.0019802 k( 485) = ( 0.0925926 0.1309457 0.6123724), wk = 0.0019802 k( 486) = ( 0.0879630 0.1243984 0.6123724), wk = 0.0019802 k( 487) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0019802 k( 488) = ( 0.0787037 0.1113038 0.6123724), wk = 0.0019802 k( 489) = ( 0.0740741 0.1047566 0.6123724), wk = 0.0019802 k( 490) = ( 0.0694444 0.0982093 0.6123724), wk = 0.0019802 k( 491) = ( 0.0648148 0.0916620 0.6123724), wk = 0.0019802 k( 492) = ( 0.0601852 0.0851147 0.6123724), wk = 0.0019802 k( 493) = ( 0.0555556 0.0785674 0.6123724), wk = 0.0019802 k( 494) = ( 0.0509259 0.0720201 0.6123724), wk = 0.0019802 k( 495) = ( 0.0462963 0.0654729 0.6123724), wk = 0.0019802 k( 496) = ( 0.0416667 0.0589256 0.6123724), wk = 0.0019802 k( 497) = ( 0.0370370 0.0523783 0.6123724), wk = 0.0019802 k( 498) = ( 0.0324074 0.0458310 0.6123724), wk = 0.0019802 k( 499) = ( 0.0277778 0.0392837 0.6123724), wk = 0.0019802 k( 500) = ( 0.0231481 0.0327364 0.6123724), wk = 0.0019802 k( 501) = ( 0.0185185 0.0261891 0.6123724), wk = 0.0019802 k( 502) = ( 0.0138889 0.0196419 0.6123724), wk = 0.0019802 k( 503) = ( 0.0092593 0.0130946 0.6123724), wk = 0.0019802 k( 504) = ( 0.0046296 0.0065473 0.6123724), wk = 0.0019802 k( 505) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0019802 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 2) = ( 0.0046729 -0.0046729 0.0046729), wk = 0.0019802 k( 3) = ( 0.0093458 -0.0093458 0.0093458), wk = 0.0019802 k( 4) = ( 0.0140187 -0.0140187 0.0140187), wk = 0.0019802 k( 5) = ( 0.0186916 -0.0186916 0.0186916), wk = 0.0019802 k( 6) = ( 0.0233645 -0.0233645 0.0233645), wk = 0.0019802 k( 7) = ( 0.0280374 -0.0280374 0.0280374), wk = 0.0019802 k( 8) = ( 0.0327103 -0.0327103 0.0327103), wk = 0.0019802 k( 9) = ( 0.0373832 -0.0373832 0.0373832), wk = 0.0019802 k( 10) = ( 0.0420561 -0.0420561 0.0420561), wk = 0.0019802 k( 11) = ( 0.0467290 -0.0467290 0.0467290), wk = 0.0019802 k( 12) = ( 0.0514019 -0.0514019 0.0514019), wk = 0.0019802 k( 13) = ( 0.0560748 -0.0560748 0.0560748), wk = 0.0019802 k( 14) = ( 0.0607477 -0.0607477 0.0607477), wk = 0.0019802 k( 15) = ( 0.0654206 -0.0654206 0.0654206), wk = 0.0019802 k( 16) = ( 0.0700935 -0.0700935 0.0700935), wk = 0.0019802 k( 17) = ( 0.0747664 -0.0747664 0.0747664), wk = 0.0019802 k( 18) = ( 0.0794393 -0.0794392 0.0794392), wk = 0.0019802 k( 19) = ( 0.0841121 -0.0841121 0.0841121), wk = 0.0019802 k( 20) = ( 0.0887851 -0.0887850 0.0887850), wk = 0.0019802 k( 21) = ( 0.0934579 -0.0934579 0.0934579), wk = 0.0019802 k( 22) = ( 0.0981308 -0.0981308 0.0981308), wk = 0.0019802 k( 23) = ( 0.1028037 -0.1028037 0.1028037), wk = 0.0019802 k( 24) = ( 0.1074766 -0.1074766 0.1074766), wk = 0.0019802 k( 25) = ( 0.1121495 -0.1121495 0.1121495), wk = 0.0019802 k( 26) = ( 0.1168224 -0.1168224 0.1168224), wk = 0.0019802 k( 27) = ( 0.1214953 -0.1214953 0.1214953), wk = 0.0019802 k( 28) = ( 0.1261682 -0.1261682 0.1261682), wk = 0.0019802 k( 29) = ( 0.1308411 -0.1308411 0.1308411), wk = 0.0019802 k( 30) = ( 0.1355140 -0.1355140 0.1355140), wk = 0.0019802 k( 31) = ( 0.1401869 -0.1401869 0.1401869), wk = 0.0019802 k( 32) = ( 0.1448598 -0.1448598 0.1448598), wk = 0.0019802 k( 33) = ( 0.1495327 -0.1495327 0.1495327), wk = 0.0019802 k( 34) = ( 0.1542056 -0.1542056 0.1542056), wk = 0.0019802 k( 35) = ( 0.1588785 -0.1588785 0.1588785), wk = 0.0019802 k( 36) = ( 0.1635514 -0.1635514 0.1635514), wk = 0.0019802 k( 37) = ( 0.1682243 -0.1682243 0.1682243), wk = 0.0019802 k( 38) = ( 0.1728972 -0.1728972 0.1728972), wk = 0.0019802 k( 39) = ( 0.1775701 -0.1775701 0.1775701), wk = 0.0019802 k( 40) = ( 0.1822430 -0.1822430 0.1822430), wk = 0.0019802 k( 41) = ( 0.1869159 -0.1869159 0.1869159), wk = 0.0019802 k( 42) = ( 0.1915888 -0.1915888 0.1915888), wk = 0.0019802 k( 43) = ( 0.1962617 -0.1962617 0.1962617), wk = 0.0019802 k( 44) = ( 0.2009346 -0.2009346 0.2009346), wk = 0.0019802 k( 45) = ( 0.2056075 -0.2056075 0.2056075), wk = 0.0019802 k( 46) = ( 0.2102804 -0.2102804 0.2102804), wk = 0.0019802 k( 47) = ( 0.2149533 -0.2149533 0.2149533), wk = 0.0019802 k( 48) = ( 0.2196262 -0.2196262 0.2196262), wk = 0.0019802 k( 49) = ( 0.2242991 -0.2242991 0.2242991), wk = 0.0019802 k( 50) = ( 0.2289720 -0.2289720 0.2289720), wk = 0.0019802 k( 51) = ( 0.2336449 -0.2336449 0.2336449), wk = 0.0019802 k( 52) = ( 0.2383178 -0.2383178 0.2383178), wk = 0.0019802 k( 53) = ( 0.2429907 -0.2429906 0.2429906), wk = 0.0019802 k( 54) = ( 0.2476636 -0.2476636 0.2476635), wk = 0.0019802 k( 55) = ( 0.2523364 -0.2523364 0.2523364), wk = 0.0019802 k( 56) = ( 0.2570094 -0.2570094 0.2570094), wk = 0.0019802 k( 57) = ( 0.2616822 -0.2616822 0.2616822), wk = 0.0019802 k( 58) = ( 0.2663551 -0.2663551 0.2663551), wk = 0.0019802 k( 59) = ( 0.2710280 -0.2710280 0.2710280), wk = 0.0019802 k( 60) = ( 0.2757009 -0.2757009 0.2757009), wk = 0.0019802 k( 61) = ( 0.2803738 -0.2803738 0.2803738), wk = 0.0019802 k( 62) = ( 0.2850467 -0.2850467 0.2850467), wk = 0.0019802 k( 63) = ( 0.2897196 -0.2897196 0.2897196), wk = 0.0019802 k( 64) = ( 0.2943925 -0.2943925 0.2943925), wk = 0.0019802 k( 65) = ( 0.2990654 -0.2990654 0.2990654), wk = 0.0019802 k( 66) = ( 0.3037383 -0.3037383 0.3037383), wk = 0.0019802 k( 67) = ( 0.3084112 -0.3084112 0.3084112), wk = 0.0019802 k( 68) = ( 0.3130841 -0.3130841 0.3130841), wk = 0.0019802 k( 69) = ( 0.3177570 -0.3177570 0.3177570), wk = 0.0019802 k( 70) = ( 0.3224299 -0.3224299 0.3224299), wk = 0.0019802 k( 71) = ( 0.3271028 -0.3271028 0.3271028), wk = 0.0019802 k( 72) = ( 0.3317757 -0.3317757 0.3317757), wk = 0.0019802 k( 73) = ( 0.3364486 -0.3364486 0.3364486), wk = 0.0019802 k( 74) = ( 0.3411215 -0.3411215 0.3411215), wk = 0.0019802 k( 75) = ( 0.3457944 -0.3457944 0.3457944), wk = 0.0019802 k( 76) = ( 0.3504673 -0.3504673 0.3504673), wk = 0.0019802 k( 77) = ( 0.3551402 -0.3551402 0.3551402), wk = 0.0019802 k( 78) = ( 0.3598131 -0.3598131 0.3598131), wk = 0.0019802 k( 79) = ( 0.3644860 -0.3644860 0.3644860), wk = 0.0019802 k( 80) = ( 0.3691589 -0.3691589 0.3691589), wk = 0.0019802 k( 81) = ( 0.3738318 -0.3738318 0.3738318), wk = 0.0019802 k( 82) = ( 0.3785047 -0.3785047 0.3785047), wk = 0.0019802 k( 83) = ( 0.3831776 -0.3831776 0.3831776), wk = 0.0019802 k( 84) = ( 0.3878505 -0.3878505 0.3878505), wk = 0.0019802 k( 85) = ( 0.3925234 -0.3925234 0.3925234), wk = 0.0019802 k( 86) = ( 0.3971963 -0.3971963 0.3971963), wk = 0.0019802 k( 87) = ( 0.4018692 -0.4018692 0.4018692), wk = 0.0019802 k( 88) = ( 0.4065421 -0.4065421 0.4065421), wk = 0.0019802 k( 89) = ( 0.4112150 -0.4112149 0.4112149), wk = 0.0019802 k( 90) = ( 0.4158879 -0.4158878 0.4158878), wk = 0.0019802 k( 91) = ( 0.4205607 -0.4205607 0.4205607), wk = 0.0019802 k( 92) = ( 0.4252336 -0.4252336 0.4252336), wk = 0.0019802 k( 93) = ( 0.4299065 -0.4299065 0.4299065), wk = 0.0019802 k( 94) = ( 0.4345794 -0.4345794 0.4345794), wk = 0.0019802 k( 95) = ( 0.4392523 -0.4392523 0.4392523), wk = 0.0019802 k( 96) = ( 0.4439252 -0.4439252 0.4439252), wk = 0.0019802 k( 97) = ( 0.4485981 -0.4485981 0.4485981), wk = 0.0019802 k( 98) = ( 0.4532710 -0.4532710 0.4532710), wk = 0.0019802 k( 99) = ( 0.4579439 -0.4579439 0.4579439), wk = 0.0019802 k( 100) = ( 0.4626168 -0.4626168 0.4626168), wk = 0.0019802 k( 101) = ( 0.4672897 -0.4672897 0.4672897), wk = 0.0019802 k( 102) = ( 0.4719626 -0.4719626 0.4719626), wk = 0.0019802 k( 103) = ( 0.4766355 -0.4766355 0.4766355), wk = 0.0019802 k( 104) = ( 0.4813084 -0.4813084 0.4813084), wk = 0.0019802 k( 105) = ( 0.4859813 -0.4859813 0.4859813), wk = 0.0019802 k( 106) = ( 0.4906542 -0.4906542 0.4906542), wk = 0.0019802 k( 107) = ( 0.4953271 -0.4953271 0.4953271), wk = 0.0019802 k( 108) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019802 k( 109) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019802 k( 110) = ( 0.4934211 -0.4934210 0.5000000), wk = 0.0019802 k( 111) = ( 0.4868421 -0.4868421 0.5000000), wk = 0.0019802 k( 112) = ( 0.4802632 -0.4802632 0.5000000), wk = 0.0019802 k( 113) = ( 0.4736842 -0.4736842 0.5000000), wk = 0.0019802 k( 114) = ( 0.4671053 -0.4671053 0.5000000), wk = 0.0019802 k( 115) = ( 0.4605263 -0.4605263 0.5000000), wk = 0.0019802 k( 116) = ( 0.4539474 -0.4539474 0.5000000), wk = 0.0019802 k( 117) = ( 0.4473684 -0.4473684 0.5000000), wk = 0.0019802 k( 118) = ( 0.4407895 -0.4407895 0.5000000), wk = 0.0019802 k( 119) = ( 0.4342105 -0.4342105 0.5000000), wk = 0.0019802 k( 120) = ( 0.4276316 -0.4276316 0.5000000), wk = 0.0019802 k( 121) = ( 0.4210526 -0.4210526 0.5000000), wk = 0.0019802 k( 122) = ( 0.4144737 -0.4144737 0.5000000), wk = 0.0019802 k( 123) = ( 0.4078947 -0.4078947 0.5000000), wk = 0.0019802 k( 124) = ( 0.4013158 -0.4013158 0.5000000), wk = 0.0019802 k( 125) = ( 0.3947368 -0.3947368 0.5000000), wk = 0.0019802 k( 126) = ( 0.3881579 -0.3881579 0.5000000), wk = 0.0019802 k( 127) = ( 0.3815789 -0.3815789 0.5000000), wk = 0.0019802 k( 128) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0019802 k( 129) = ( 0.3684211 -0.3684210 0.5000000), wk = 0.0019802 k( 130) = ( 0.3618421 -0.3618421 0.5000000), wk = 0.0019802 k( 131) = ( 0.3552632 -0.3552632 0.5000000), wk = 0.0019802 k( 132) = ( 0.3486842 -0.3486842 0.5000000), wk = 0.0019802 k( 133) = ( 0.3421053 -0.3421053 0.5000000), wk = 0.0019802 k( 134) = ( 0.3355263 -0.3355263 0.5000000), wk = 0.0019802 k( 135) = ( 0.3289474 -0.3289474 0.5000000), wk = 0.0019802 k( 136) = ( 0.3223684 -0.3223684 0.5000000), wk = 0.0019802 k( 137) = ( 0.3157895 -0.3157895 0.5000000), wk = 0.0019802 k( 138) = ( 0.3092105 -0.3092105 0.5000000), wk = 0.0019802 k( 139) = ( 0.3026316 -0.3026316 0.5000000), wk = 0.0019802 k( 140) = ( 0.2960526 -0.2960526 0.5000000), wk = 0.0019802 k( 141) = ( 0.2894737 -0.2894737 0.5000000), wk = 0.0019802 k( 142) = ( 0.2828947 -0.2828947 0.5000000), wk = 0.0019802 k( 143) = ( 0.2763158 -0.2763158 0.5000000), wk = 0.0019802 k( 144) = ( 0.2697368 -0.2697368 0.5000000), wk = 0.0019802 k( 145) = ( 0.2631579 -0.2631579 0.5000000), wk = 0.0019802 k( 146) = ( 0.2565789 -0.2565789 0.5000000), wk = 0.0019802 k( 147) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0019802 k( 148) = ( 0.2434210 -0.2434210 0.5000000), wk = 0.0019802 k( 149) = ( 0.2368421 -0.2368421 0.5000000), wk = 0.0019802 k( 150) = ( 0.2302632 -0.2302632 0.5000000), wk = 0.0019802 k( 151) = ( 0.2236842 -0.2236842 0.5000000), wk = 0.0019802 k( 152) = ( 0.2171053 -0.2171053 0.5000000), wk = 0.0019802 k( 153) = ( 0.2105263 -0.2105263 0.5000000), wk = 0.0019802 k( 154) = ( 0.2039474 -0.2039474 0.5000000), wk = 0.0019802 k( 155) = ( 0.1973684 -0.1973684 0.5000000), wk = 0.0019802 k( 156) = ( 0.1907895 -0.1907895 0.5000000), wk = 0.0019802 k( 157) = ( 0.1842105 -0.1842105 0.5000000), wk = 0.0019802 k( 158) = ( 0.1776316 -0.1776316 0.5000000), wk = 0.0019802 k( 159) = ( 0.1710526 -0.1710526 0.5000000), wk = 0.0019802 k( 160) = ( 0.1644737 -0.1644737 0.5000000), wk = 0.0019802 k( 161) = ( 0.1578947 -0.1578947 0.5000000), wk = 0.0019802 k( 162) = ( 0.1513158 -0.1513158 0.5000000), wk = 0.0019802 k( 163) = ( 0.1447368 -0.1447368 0.5000000), wk = 0.0019802 k( 164) = ( 0.1381579 -0.1381579 0.5000000), wk = 0.0019802 k( 165) = ( 0.1315790 -0.1315790 0.5000000), wk = 0.0019802 k( 166) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0019802 k( 167) = ( 0.1184210 -0.1184210 0.5000000), wk = 0.0019802 k( 168) = ( 0.1118421 -0.1118421 0.5000000), wk = 0.0019802 k( 169) = ( 0.1052632 -0.1052632 0.5000000), wk = 0.0019802 k( 170) = ( 0.0986842 -0.0986842 0.5000000), wk = 0.0019802 k( 171) = ( 0.0921053 -0.0921053 0.5000000), wk = 0.0019802 k( 172) = ( 0.0855263 -0.0855263 0.5000000), wk = 0.0019802 k( 173) = ( 0.0789474 -0.0789474 0.5000000), wk = 0.0019802 k( 174) = ( 0.0723684 -0.0723684 0.5000000), wk = 0.0019802 k( 175) = ( 0.0657895 -0.0657895 0.5000000), wk = 0.0019802 k( 176) = ( 0.0592105 -0.0592105 0.5000000), wk = 0.0019802 k( 177) = ( 0.0526316 -0.0526316 0.5000000), wk = 0.0019802 k( 178) = ( 0.0460526 -0.0460526 0.5000000), wk = 0.0019802 k( 179) = ( 0.0394737 -0.0394737 0.5000000), wk = 0.0019802 k( 180) = ( 0.0328947 -0.0328947 0.5000000), wk = 0.0019802 k( 181) = ( 0.0263158 -0.0263158 0.5000000), wk = 0.0019802 k( 182) = ( 0.0197368 -0.0197368 0.5000000), wk = 0.0019802 k( 183) = ( 0.0131579 -0.0131579 0.5000000), wk = 0.0019802 k( 184) = ( 0.0065790 -0.0065789 0.5000000), wk = 0.0019802 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019802 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019802 k( 187) = ( 0.0000000 0.0000000 0.4934211), wk = 0.0019802 k( 188) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0019802 k( 189) = ( 0.0000000 0.0000000 0.4802632), wk = 0.0019802 k( 190) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0019802 k( 191) = ( 0.0000000 0.0000000 0.4671053), wk = 0.0019802 k( 192) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0019802 k( 193) = ( 0.0000000 0.0000000 0.4539474), wk = 0.0019802 k( 194) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0019802 k( 195) = ( 0.0000000 0.0000000 0.4407895), wk = 0.0019802 k( 196) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0019802 k( 197) = ( 0.0000000 0.0000000 0.4276316), wk = 0.0019802 k( 198) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0019802 k( 199) = ( 0.0000000 0.0000000 0.4144737), wk = 0.0019802 k( 200) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0019802 k( 201) = ( 0.0000000 0.0000000 0.4013158), wk = 0.0019802 k( 202) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0019802 k( 203) = ( 0.0000000 0.0000000 0.3881579), wk = 0.0019802 k( 204) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0019802 k( 205) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0019802 k( 206) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0019802 k( 207) = ( 0.0000000 0.0000000 0.3618421), wk = 0.0019802 k( 208) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0019802 k( 209) = ( 0.0000000 0.0000000 0.3486842), wk = 0.0019802 k( 210) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0019802 k( 211) = ( 0.0000000 0.0000000 0.3355263), wk = 0.0019802 k( 212) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0019802 k( 213) = ( 0.0000000 0.0000000 0.3223684), wk = 0.0019802 k( 214) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0019802 k( 215) = ( 0.0000000 0.0000000 0.3092105), wk = 0.0019802 k( 216) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0019802 k( 217) = ( 0.0000000 0.0000000 0.2960526), wk = 0.0019802 k( 218) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0019802 k( 219) = ( 0.0000000 0.0000000 0.2828947), wk = 0.0019802 k( 220) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0019802 k( 221) = ( 0.0000000 0.0000000 0.2697368), wk = 0.0019802 k( 222) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0019802 k( 223) = ( 0.0000000 0.0000000 0.2565789), wk = 0.0019802 k( 224) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019802 k( 225) = ( 0.0000000 0.0000000 0.2434210), wk = 0.0019802 k( 226) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0019802 k( 227) = ( 0.0000000 0.0000000 0.2302632), wk = 0.0019802 k( 228) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0019802 k( 229) = ( 0.0000000 0.0000000 0.2171053), wk = 0.0019802 k( 230) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0019802 k( 231) = ( 0.0000000 0.0000000 0.2039474), wk = 0.0019802 k( 232) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0019802 k( 233) = ( 0.0000000 0.0000000 0.1907895), wk = 0.0019802 k( 234) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0019802 k( 235) = ( 0.0000000 0.0000000 0.1776316), wk = 0.0019802 k( 236) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0019802 k( 237) = ( 0.0000000 0.0000000 0.1644737), wk = 0.0019802 k( 238) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0019802 k( 239) = ( 0.0000000 0.0000000 0.1513158), wk = 0.0019802 k( 240) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0019802 k( 241) = ( 0.0000000 0.0000000 0.1381579), wk = 0.0019802 k( 242) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0019802 k( 243) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0019802 k( 244) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0019802 k( 245) = ( 0.0000000 0.0000000 0.1118421), wk = 0.0019802 k( 246) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0019802 k( 247) = ( 0.0000000 0.0000000 0.0986842), wk = 0.0019802 k( 248) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0019802 k( 249) = ( 0.0000000 0.0000000 0.0855263), wk = 0.0019802 k( 250) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0019802 k( 251) = ( 0.0000000 0.0000000 0.0723684), wk = 0.0019802 k( 252) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0019802 k( 253) = ( 0.0000000 0.0000000 0.0592105), wk = 0.0019802 k( 254) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0019802 k( 255) = ( 0.0000000 0.0000000 0.0460526), wk = 0.0019802 k( 256) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0019802 k( 257) = ( 0.0000000 0.0000000 0.0328947), wk = 0.0019802 k( 258) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0019802 k( 259) = ( 0.0000000 0.0000000 0.0197368), wk = 0.0019802 k( 260) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0019802 k( 261) = ( 0.0000000 0.0000000 0.0065790), wk = 0.0019802 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019802 k( 264) = ( 0.0026882 0.0026882 0.0026882), wk = 0.0019802 k( 265) = ( 0.0053763 0.0053763 0.0053763), wk = 0.0019802 k( 266) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0019802 k( 267) = ( 0.0107527 0.0107527 0.0107527), wk = 0.0019802 k( 268) = ( 0.0134409 0.0134409 0.0134409), wk = 0.0019802 k( 269) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0019802 k( 270) = ( 0.0188172 0.0188172 0.0188172), wk = 0.0019802 k( 271) = ( 0.0215054 0.0215054 0.0215054), wk = 0.0019802 k( 272) = ( 0.0241936 0.0241935 0.0241936), wk = 0.0019802 k( 273) = ( 0.0268817 0.0268817 0.0268817), wk = 0.0019802 k( 274) = ( 0.0295699 0.0295699 0.0295699), wk = 0.0019802 k( 275) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0019802 k( 276) = ( 0.0349462 0.0349462 0.0349462), wk = 0.0019802 k( 277) = ( 0.0376344 0.0376344 0.0376344), wk = 0.0019802 k( 278) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0019802 k( 279) = ( 0.0430108 0.0430107 0.0430107), wk = 0.0019802 k( 280) = ( 0.0456989 0.0456989 0.0456989), wk = 0.0019802 k( 281) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0019802 k( 282) = ( 0.0510753 0.0510753 0.0510753), wk = 0.0019802 k( 283) = ( 0.0537634 0.0537634 0.0537634), wk = 0.0019802 k( 284) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0019802 k( 285) = ( 0.0591398 0.0591398 0.0591398), wk = 0.0019802 k( 286) = ( 0.0618280 0.0618280 0.0618280), wk = 0.0019802 k( 287) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0019802 k( 288) = ( 0.0672043 0.0672043 0.0672043), wk = 0.0019802 k( 289) = ( 0.0698925 0.0698925 0.0698925), wk = 0.0019802 k( 290) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0019802 k( 291) = ( 0.0752688 0.0752688 0.0752688), wk = 0.0019802 k( 292) = ( 0.0779570 0.0779570 0.0779570), wk = 0.0019802 k( 293) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0019802 k( 294) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0019802 k( 295) = ( 0.0860215 0.0860215 0.0860215), wk = 0.0019802 k( 296) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0019802 k( 297) = ( 0.0913979 0.0913978 0.0913979), wk = 0.0019802 k( 298) = ( 0.0940860 0.0940860 0.0940860), wk = 0.0019802 k( 299) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0019802 k( 300) = ( 0.0994624 0.0994624 0.0994624), wk = 0.0019802 k( 301) = ( 0.1021505 0.1021505 0.1021505), wk = 0.0019802 k( 302) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0019802 k( 303) = ( 0.1075269 0.1075269 0.1075269), wk = 0.0019802 k( 304) = ( 0.1102150 0.1102150 0.1102150), wk = 0.0019802 k( 305) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0019802 k( 306) = ( 0.1155914 0.1155914 0.1155914), wk = 0.0019802 k( 307) = ( 0.1182796 0.1182796 0.1182796), wk = 0.0019802 k( 308) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0019802 k( 309) = ( 0.1236559 0.1236559 0.1236559), wk = 0.0019802 k( 310) = ( 0.1263441 0.1263441 0.1263441), wk = 0.0019802 k( 311) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0019802 k( 312) = ( 0.1317204 0.1317204 0.1317204), wk = 0.0019802 k( 313) = ( 0.1344086 0.1344086 0.1344086), wk = 0.0019802 k( 314) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0019802 k( 315) = ( 0.1397849 0.1397849 0.1397849), wk = 0.0019802 k( 316) = ( 0.1424731 0.1424731 0.1424731), wk = 0.0019802 k( 317) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0019802 k( 318) = ( 0.1478495 0.1478495 0.1478495), wk = 0.0019802 k( 319) = ( 0.1505376 0.1505376 0.1505376), wk = 0.0019802 k( 320) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0019802 k( 321) = ( 0.1559140 0.1559140 0.1559140), wk = 0.0019802 k( 322) = ( 0.1586021 0.1586021 0.1586022), wk = 0.0019802 k( 323) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0019802 k( 324) = ( 0.1639785 0.1639785 0.1639785), wk = 0.0019802 k( 325) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0019802 k( 326) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0019802 k( 327) = ( 0.1720430 0.1720430 0.1720430), wk = 0.0019802 k( 328) = ( 0.1747312 0.1747312 0.1747312), wk = 0.0019802 k( 329) = ( 0.1774194 0.1774193 0.1774194), wk = 0.0019802 k( 330) = ( 0.1801075 0.1801075 0.1801075), wk = 0.0019802 k( 331) = ( 0.1827957 0.1827957 0.1827957), wk = 0.0019802 k( 332) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0019802 k( 333) = ( 0.1881720 0.1881720 0.1881720), wk = 0.0019802 k( 334) = ( 0.1908602 0.1908602 0.1908602), wk = 0.0019802 k( 335) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0019802 k( 336) = ( 0.1962366 0.1962366 0.1962366), wk = 0.0019802 k( 337) = ( 0.1989247 0.1989247 0.1989247), wk = 0.0019802 k( 338) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0019802 k( 339) = ( 0.2043011 0.2043011 0.2043011), wk = 0.0019802 k( 340) = ( 0.2069893 0.2069892 0.2069893), wk = 0.0019802 k( 341) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0019802 k( 342) = ( 0.2123656 0.2123656 0.2123656), wk = 0.0019802 k( 343) = ( 0.2150538 0.2150538 0.2150538), wk = 0.0019802 k( 344) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0019802 k( 345) = ( 0.2204301 0.2204301 0.2204301), wk = 0.0019802 k( 346) = ( 0.2231183 0.2231183 0.2231183), wk = 0.0019802 k( 347) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0019802 k( 348) = ( 0.2284946 0.2284946 0.2284946), wk = 0.0019802 k( 349) = ( 0.2311828 0.2311828 0.2311828), wk = 0.0019802 k( 350) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0019802 k( 351) = ( 0.2365591 0.2365591 0.2365591), wk = 0.0019802 k( 352) = ( 0.2392473 0.2392473 0.2392473), wk = 0.0019802 k( 353) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0019802 k( 354) = ( 0.2446237 0.2446237 0.2446237), wk = 0.0019802 k( 355) = ( 0.2473118 0.2473118 0.2473118), wk = 0.0019802 k( 356) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019802 k( 357) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019802 k( 358) = ( 0.2526882 0.2419355 0.2526882), wk = 0.0019802 k( 359) = ( 0.2553763 0.2338710 0.2553763), wk = 0.0019802 k( 360) = ( 0.2580645 0.2258064 0.2580645), wk = 0.0019802 k( 361) = ( 0.2607527 0.2177419 0.2607527), wk = 0.0019802 k( 362) = ( 0.2634409 0.2096774 0.2634409), wk = 0.0019802 k( 363) = ( 0.2661290 0.2016129 0.2661290), wk = 0.0019802 k( 364) = ( 0.2688172 0.1935484 0.2688172), wk = 0.0019802 k( 365) = ( 0.2715054 0.1854839 0.2715054), wk = 0.0019802 k( 366) = ( 0.2741936 0.1774193 0.2741935), wk = 0.0019802 k( 367) = ( 0.2768817 0.1693548 0.2768817), wk = 0.0019802 k( 368) = ( 0.2795699 0.1612903 0.2795699), wk = 0.0019802 k( 369) = ( 0.2822581 0.1532258 0.2822581), wk = 0.0019802 k( 370) = ( 0.2849462 0.1451613 0.2849462), wk = 0.0019802 k( 371) = ( 0.2876344 0.1370968 0.2876344), wk = 0.0019802 k( 372) = ( 0.2903226 0.1290323 0.2903226), wk = 0.0019802 k( 373) = ( 0.2930107 0.1209677 0.2930108), wk = 0.0019802 k( 374) = ( 0.2956989 0.1129032 0.2956989), wk = 0.0019802 k( 375) = ( 0.2983871 0.1048387 0.2983871), wk = 0.0019802 k( 376) = ( 0.3010753 0.0967742 0.3010753), wk = 0.0019802 k( 377) = ( 0.3037634 0.0887097 0.3037634), wk = 0.0019802 k( 378) = ( 0.3064516 0.0806452 0.3064516), wk = 0.0019802 k( 379) = ( 0.3091398 0.0725806 0.3091398), wk = 0.0019802 k( 380) = ( 0.3118280 0.0645161 0.3118280), wk = 0.0019802 k( 381) = ( 0.3145161 0.0564516 0.3145161), wk = 0.0019802 k( 382) = ( 0.3172043 0.0483871 0.3172043), wk = 0.0019802 k( 383) = ( 0.3198925 0.0403226 0.3198925), wk = 0.0019802 k( 384) = ( 0.3225807 0.0322581 0.3225806), wk = 0.0019802 k( 385) = ( 0.3252688 0.0241936 0.3252688), wk = 0.0019802 k( 386) = ( 0.3279570 0.0161290 0.3279570), wk = 0.0019802 k( 387) = ( 0.3306452 0.0080645 0.3306452), wk = 0.0019802 k( 388) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0019802 k( 389) = ( 0.3360215 -0.0080645 0.3360215), wk = 0.0019802 k( 390) = ( 0.3387097 -0.0161290 0.3387097), wk = 0.0019802 k( 391) = ( 0.3413979 -0.0241936 0.3413979), wk = 0.0019802 k( 392) = ( 0.3440860 -0.0322581 0.3440860), wk = 0.0019802 k( 393) = ( 0.3467742 -0.0403226 0.3467742), wk = 0.0019802 k( 394) = ( 0.3494624 -0.0483871 0.3494624), wk = 0.0019802 k( 395) = ( 0.3521505 -0.0564516 0.3521505), wk = 0.0019802 k( 396) = ( 0.3548387 -0.0645161 0.3548387), wk = 0.0019802 k( 397) = ( 0.3575269 -0.0725806 0.3575269), wk = 0.0019802 k( 398) = ( 0.3602150 -0.0806452 0.3602150), wk = 0.0019802 k( 399) = ( 0.3629032 -0.0887097 0.3629032), wk = 0.0019802 k( 400) = ( 0.3655914 -0.0967742 0.3655914), wk = 0.0019802 k( 401) = ( 0.3682796 -0.1048387 0.3682796), wk = 0.0019802 k( 402) = ( 0.3709677 -0.1129032 0.3709677), wk = 0.0019802 k( 403) = ( 0.3736559 -0.1209677 0.3736559), wk = 0.0019802 k( 404) = ( 0.3763441 -0.1290323 0.3763441), wk = 0.0019802 k( 405) = ( 0.3790323 -0.1370968 0.3790323), wk = 0.0019802 k( 406) = ( 0.3817204 -0.1451613 0.3817204), wk = 0.0019802 k( 407) = ( 0.3844086 -0.1532258 0.3844086), wk = 0.0019802 k( 408) = ( 0.3870968 -0.1612903 0.3870968), wk = 0.0019802 k( 409) = ( 0.3897850 -0.1693548 0.3897849), wk = 0.0019802 k( 410) = ( 0.3924731 -0.1774194 0.3924731), wk = 0.0019802 k( 411) = ( 0.3951613 -0.1854839 0.3951613), wk = 0.0019802 k( 412) = ( 0.3978495 -0.1935484 0.3978495), wk = 0.0019802 k( 413) = ( 0.4005376 -0.2016129 0.4005376), wk = 0.0019802 k( 414) = ( 0.4032258 -0.2096774 0.4032258), wk = 0.0019802 k( 415) = ( 0.4059140 -0.2177419 0.4059140), wk = 0.0019802 k( 416) = ( 0.4086021 -0.2258064 0.4086021), wk = 0.0019802 k( 417) = ( 0.4112903 -0.2338710 0.4112903), wk = 0.0019802 k( 418) = ( 0.4139785 -0.2419355 0.4139785), wk = 0.0019802 k( 419) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0019802 k( 420) = ( 0.4193548 -0.2580645 0.4193548), wk = 0.0019802 k( 421) = ( 0.4220430 -0.2661290 0.4220430), wk = 0.0019802 k( 422) = ( 0.4247312 -0.2741935 0.4247312), wk = 0.0019802 k( 423) = ( 0.4274193 -0.2822581 0.4274193), wk = 0.0019802 k( 424) = ( 0.4301075 -0.2903226 0.4301075), wk = 0.0019802 k( 425) = ( 0.4327957 -0.2983871 0.4327957), wk = 0.0019802 k( 426) = ( 0.4354839 -0.3064516 0.4354839), wk = 0.0019802 k( 427) = ( 0.4381720 -0.3145161 0.4381720), wk = 0.0019802 k( 428) = ( 0.4408602 -0.3225806 0.4408602), wk = 0.0019802 k( 429) = ( 0.4435484 -0.3306452 0.4435484), wk = 0.0019802 k( 430) = ( 0.4462366 -0.3387097 0.4462366), wk = 0.0019802 k( 431) = ( 0.4489247 -0.3467742 0.4489247), wk = 0.0019802 k( 432) = ( 0.4516129 -0.3548387 0.4516129), wk = 0.0019802 k( 433) = ( 0.4543011 -0.3629032 0.4543011), wk = 0.0019802 k( 434) = ( 0.4569893 -0.3709677 0.4569893), wk = 0.0019802 k( 435) = ( 0.4596774 -0.3790323 0.4596774), wk = 0.0019802 k( 436) = ( 0.4623656 -0.3870968 0.4623656), wk = 0.0019802 k( 437) = ( 0.4650538 -0.3951613 0.4650538), wk = 0.0019802 k( 438) = ( 0.4677419 -0.4032258 0.4677419), wk = 0.0019802 k( 439) = ( 0.4704301 -0.4112903 0.4704301), wk = 0.0019802 k( 440) = ( 0.4731183 -0.4193548 0.4731183), wk = 0.0019802 k( 441) = ( 0.4758064 -0.4274193 0.4758064), wk = 0.0019802 k( 442) = ( 0.4784946 -0.4354839 0.4784946), wk = 0.0019802 k( 443) = ( 0.4811828 -0.4435484 0.4811828), wk = 0.0019802 k( 444) = ( 0.4838710 -0.4516129 0.4838710), wk = 0.0019802 k( 445) = ( 0.4865591 -0.4596774 0.4865591), wk = 0.0019802 k( 446) = ( 0.4892473 -0.4677419 0.4892473), wk = 0.0019802 k( 447) = ( 0.4919355 -0.4758064 0.4919355), wk = 0.0019802 k( 448) = ( 0.4946237 -0.4838710 0.4946237), wk = 0.0019802 k( 449) = ( 0.4973118 -0.4919355 0.4973118), wk = 0.0019802 k( 450) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0019802 k( 451) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019802 k( 452) = ( 0.2453704 0.2453704 0.2546296), wk = 0.0019802 k( 453) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0019802 k( 454) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0019802 k( 455) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0019802 k( 456) = ( 0.2268518 0.2268518 0.2731481), wk = 0.0019802 k( 457) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0019802 k( 458) = ( 0.2175926 0.2175926 0.2824074), wk = 0.0019802 k( 459) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0019802 k( 460) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0019802 k( 461) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0019802 k( 462) = ( 0.1990741 0.1990741 0.3009259), wk = 0.0019802 k( 463) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0019802 k( 464) = ( 0.1898148 0.1898148 0.3101852), wk = 0.0019802 k( 465) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0019802 k( 466) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0019802 k( 467) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0019802 k( 468) = ( 0.1712963 0.1712963 0.3287037), wk = 0.0019802 k( 469) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0019802 k( 470) = ( 0.1620370 0.1620370 0.3379630), wk = 0.0019802 k( 471) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0019802 k( 472) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0019802 k( 473) = ( 0.1481482 0.1481481 0.3518519), wk = 0.0019802 k( 474) = ( 0.1435185 0.1435185 0.3564815), wk = 0.0019802 k( 475) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0019802 k( 476) = ( 0.1342593 0.1342593 0.3657407), wk = 0.0019802 k( 477) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0019802 k( 478) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0019802 k( 479) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0019802 k( 480) = ( 0.1157407 0.1157407 0.3842593), wk = 0.0019802 k( 481) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0019802 k( 482) = ( 0.1064815 0.1064815 0.3935185), wk = 0.0019802 k( 483) = ( 0.1018518 0.1018518 0.3981481), wk = 0.0019802 k( 484) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0019802 k( 485) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0019802 k( 486) = ( 0.0879630 0.0879630 0.4120370), wk = 0.0019802 k( 487) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0019802 k( 488) = ( 0.0787037 0.0787037 0.4212963), wk = 0.0019802 k( 489) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0019802 k( 490) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0019802 k( 491) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0019802 k( 492) = ( 0.0601852 0.0601852 0.4398148), wk = 0.0019802 k( 493) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0019802 k( 494) = ( 0.0509259 0.0509259 0.4490741), wk = 0.0019802 k( 495) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0019802 k( 496) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0019802 k( 497) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0019802 k( 498) = ( 0.0324074 0.0324074 0.4675926), wk = 0.0019802 k( 499) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0019802 k( 500) = ( 0.0231481 0.0231481 0.4768519), wk = 0.0019802 k( 501) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0019802 k( 502) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0019802 k( 503) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0019802 k( 504) = ( 0.0046296 0.0046296 0.4953704), wk = 0.0019802 k( 505) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019802 Dense grid: 11057 G-vectors FFT dimensions: ( 32, 32, 32) Smooth grid: 5425 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 40, 18) NL pseudopotentials 0.00 Mb ( 20, 14) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 306) G-vector shells 0.00 Mb ( 90) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 40, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.01 Mb ( 14, 2, 18) Check: negative/imaginary core charge= -0.000032 0.000000 The potential is recalculated from file : ./Mg.save/charge-density.dat Starting wfc are 10 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.5 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.7 secs Computing kpt #: 16 total cpu time spent up to now is 2.8 secs Computing kpt #: 17 total cpu time spent up to now is 2.8 secs Computing kpt #: 18 total cpu time spent up to now is 2.9 secs Computing kpt #: 19 total cpu time spent up to now is 2.9 secs Computing kpt #: 20 total cpu time spent up to now is 2.9 secs Computing kpt #: 21 total cpu time spent up to now is 3.0 secs Computing kpt #: 22 total cpu time spent up to now is 3.0 secs Computing kpt #: 23 total cpu time spent up to now is 3.1 secs Computing kpt #: 24 total cpu time spent up to now is 3.1 secs Computing kpt #: 25 total cpu time spent up to now is 3.2 secs Computing kpt #: 26 total cpu time spent up to now is 3.2 secs Computing kpt #: 27 total cpu time spent up to now is 3.3 secs Computing kpt #: 28 total cpu time spent up to now is 3.3 secs Computing kpt #: 29 total cpu time spent up to now is 3.4 secs Computing kpt #: 30 total cpu time spent up to now is 3.4 secs Computing kpt #: 31 total cpu time spent up to now is 3.5 secs Computing kpt #: 32 total cpu time spent up to now is 3.5 secs Computing kpt #: 33 total cpu time spent up to now is 3.6 secs Computing kpt #: 34 total cpu time spent up to now is 3.6 secs Computing kpt #: 35 total cpu time spent up to now is 3.7 secs Computing kpt #: 36 total cpu time spent up to now is 3.7 secs Computing kpt #: 37 total cpu time spent up to now is 3.7 secs Computing kpt #: 38 total cpu time spent up to now is 3.8 secs Computing kpt #: 39 total cpu time spent up to now is 3.8 secs Computing kpt #: 40 total cpu time spent up to now is 3.9 secs Computing kpt #: 41 total cpu time spent up to now is 3.9 secs Computing kpt #: 42 total cpu time spent up to now is 3.9 secs Computing kpt #: 43 total cpu time spent up to now is 4.0 secs Computing kpt #: 44 total cpu time spent up to now is 4.0 secs Computing kpt #: 45 total cpu time spent up to now is 4.1 secs Computing kpt #: 46 total cpu time spent up to now is 4.1 secs Computing kpt #: 47 total cpu time spent up to now is 4.1 secs Computing kpt #: 48 total cpu time spent up to now is 4.2 secs Computing kpt #: 49 total cpu time spent up to now is 4.2 secs Computing kpt #: 50 total cpu time spent up to now is 4.3 secs Computing kpt #: 51 total cpu time spent up to now is 4.3 secs Computing kpt #: 52 total cpu time spent up to now is 4.3 secs Computing kpt #: 53 total cpu time spent up to now is 4.4 secs Computing kpt #: 54 total cpu time spent up to now is 4.4 secs Computing kpt #: 55 total cpu time spent up to now is 4.4 secs Computing kpt #: 56 total cpu time spent up to now is 4.5 secs Computing kpt #: 57 total cpu time spent up to now is 4.5 secs Computing kpt #: 58 total cpu time spent up to now is 4.6 secs Computing kpt #: 59 total cpu time spent up to now is 4.6 secs Computing kpt #: 60 total cpu time spent up to now is 4.6 secs Computing kpt #: 61 total cpu time spent up to now is 4.7 secs Computing kpt #: 62 total cpu time spent up to now is 4.7 secs Computing kpt #: 63 total cpu time spent up to now is 4.7 secs Computing kpt #: 64 total cpu time spent up to now is 4.8 secs Computing kpt #: 65 total cpu time spent up to now is 4.9 secs Computing kpt #: 66 total cpu time spent up to now is 4.9 secs Computing kpt #: 67 total cpu time spent up to now is 4.9 secs Computing kpt #: 68 total cpu time spent up to now is 5.0 secs Computing kpt #: 69 total cpu time spent up to now is 5.0 secs Computing kpt #: 70 total cpu time spent up to now is 5.1 secs Computing kpt #: 71 total cpu time spent up to now is 5.1 secs Computing kpt #: 72 total cpu time spent up to now is 5.1 secs Computing kpt #: 73 total cpu time spent up to now is 5.2 secs Computing kpt #: 74 total cpu time spent up to now is 5.2 secs Computing kpt #: 75 total cpu time spent up to now is 5.2 secs Computing kpt #: 76 total cpu time spent up to now is 5.3 secs Computing kpt #: 77 total cpu time spent up to now is 5.3 secs Computing kpt #: 78 total cpu time spent up to now is 5.4 secs Computing kpt #: 79 total cpu time spent up to now is 5.4 secs Computing kpt #: 80 total cpu time spent up to now is 5.4 secs Computing kpt #: 81 total cpu time spent up to now is 5.5 secs Computing kpt #: 82 total cpu time spent up to now is 5.5 secs Computing kpt #: 83 total cpu time spent up to now is 5.5 secs Computing kpt #: 84 total cpu time spent up to now is 5.6 secs Computing kpt #: 85 total cpu time spent up to now is 5.6 secs Computing kpt #: 86 total cpu time spent up to now is 5.6 secs Computing kpt #: 87 total cpu time spent up to now is 5.7 secs Computing kpt #: 88 total cpu time spent up to now is 5.7 secs Computing kpt #: 89 total cpu time spent up to now is 5.7 secs Computing kpt #: 90 total cpu time spent up to now is 5.8 secs Computing kpt #: 91 total cpu time spent up to now is 5.8 secs Computing kpt #: 92 total cpu time spent up to now is 5.8 secs Computing kpt #: 93 total cpu time spent up to now is 5.9 secs Computing kpt #: 94 total cpu time spent up to now is 5.9 secs Computing kpt #: 95 total cpu time spent up to now is 5.9 secs Computing kpt #: 96 total cpu time spent up to now is 6.0 secs Computing kpt #: 97 total cpu time spent up to now is 6.0 secs Computing kpt #: 98 total cpu time spent up to now is 6.0 secs Computing kpt #: 99 total cpu time spent up to now is 6.1 secs Computing kpt #: 100 total cpu time spent up to now is 6.1 secs Computing kpt #: 101 total cpu time spent up to now is 6.1 secs Computing kpt #: 102 total cpu time spent up to now is 6.2 secs Computing kpt #: 103 total cpu time spent up to now is 6.2 secs Computing kpt #: 104 total cpu time spent up to now is 6.3 secs Computing kpt #: 105 total cpu time spent up to now is 6.3 secs Computing kpt #: 106 total cpu time spent up to now is 6.3 secs Computing kpt #: 107 total cpu time spent up to now is 6.4 secs Computing kpt #: 108 total cpu time spent up to now is 6.4 secs Computing kpt #: 109 total cpu time spent up to now is 6.5 secs Computing kpt #: 110 total cpu time spent up to now is 6.5 secs Computing kpt #: 111 total cpu time spent up to now is 6.5 secs Computing kpt #: 112 total cpu time spent up to now is 6.6 secs Computing kpt #: 113 total cpu time spent up to now is 6.6 secs Computing kpt #: 114 total cpu time spent up to now is 6.7 secs Computing kpt #: 115 total cpu time spent up to now is 6.7 secs Computing kpt #: 116 total cpu time spent up to now is 6.7 secs Computing kpt #: 117 total cpu time spent up to now is 6.8 secs Computing kpt #: 118 total cpu time spent up to now is 6.8 secs Computing kpt #: 119 total cpu time spent up to now is 6.9 secs Computing kpt #: 120 total cpu time spent up to now is 6.9 secs Computing kpt #: 121 total cpu time spent up to now is 6.9 secs Computing kpt #: 122 total cpu time spent up to now is 7.0 secs Computing kpt #: 123 total cpu time spent up to now is 7.0 secs Computing kpt #: 124 total cpu time spent up to now is 7.1 secs Computing kpt #: 125 total cpu time spent up to now is 7.1 secs Computing kpt #: 126 total cpu time spent up to now is 7.1 secs Computing kpt #: 127 total cpu time spent up to now is 7.2 secs Computing kpt #: 128 total cpu time spent up to now is 7.2 secs Computing kpt #: 129 total cpu time spent up to now is 7.3 secs Computing kpt #: 130 total cpu time spent up to now is 7.3 secs Computing kpt #: 131 total cpu time spent up to now is 7.3 secs Computing kpt #: 132 total cpu time spent up to now is 7.4 secs Computing kpt #: 133 total cpu time spent up to now is 7.4 secs Computing kpt #: 134 total cpu time spent up to now is 7.4 secs Computing kpt #: 135 total cpu time spent up to now is 7.5 secs Computing kpt #: 136 total cpu time spent up to now is 7.5 secs Computing kpt #: 137 total cpu time spent up to now is 7.6 secs Computing kpt #: 138 total cpu time spent up to now is 7.6 secs Computing kpt #: 139 total cpu time spent up to now is 7.6 secs Computing kpt #: 140 total cpu time spent up to now is 7.7 secs Computing kpt #: 141 total cpu time spent up to now is 7.7 secs Computing kpt #: 142 total cpu time spent up to now is 7.7 secs Computing kpt #: 143 total cpu time spent up to now is 7.8 secs Computing kpt #: 144 total cpu time spent up to now is 7.8 secs Computing kpt #: 145 total cpu time spent up to now is 7.9 secs Computing kpt #: 146 total cpu time spent up to now is 7.9 secs Computing kpt #: 147 total cpu time spent up to now is 7.9 secs Computing kpt #: 148 total cpu time spent up to now is 8.0 secs Computing kpt #: 149 total cpu time spent up to now is 8.0 secs Computing kpt #: 150 total cpu time spent up to now is 8.1 secs Computing kpt #: 151 total cpu time spent up to now is 8.1 secs Computing kpt #: 152 total cpu time spent up to now is 8.1 secs Computing kpt #: 153 total cpu time spent up to now is 8.2 secs Computing kpt #: 154 total cpu time spent up to now is 8.2 secs Computing kpt #: 155 total cpu time spent up to now is 8.3 secs Computing kpt #: 156 total cpu time spent up to now is 8.3 secs Computing kpt #: 157 total cpu time spent up to now is 8.4 secs Computing kpt #: 158 total cpu time spent up to now is 8.4 secs Computing kpt #: 159 total cpu time spent up to now is 8.5 secs Computing kpt #: 160 total cpu time spent up to now is 8.5 secs Computing kpt #: 161 total cpu time spent up to now is 8.6 secs Computing kpt #: 162 total cpu time spent up to now is 8.6 secs Computing kpt #: 163 total cpu time spent up to now is 8.7 secs Computing kpt #: 164 total cpu time spent up to now is 8.7 secs Computing kpt #: 165 total cpu time spent up to now is 8.7 secs Computing kpt #: 166 total cpu time spent up to now is 8.8 secs Computing kpt #: 167 total cpu time spent up to now is 8.8 secs Computing kpt #: 168 total cpu time spent up to now is 8.9 secs Computing kpt #: 169 total cpu time spent up to now is 8.9 secs Computing kpt #: 170 total cpu time spent up to now is 9.0 secs Computing kpt #: 171 total cpu time spent up to now is 9.0 secs Computing kpt #: 172 total cpu time spent up to now is 9.0 secs Computing kpt #: 173 total cpu time spent up to now is 9.1 secs Computing kpt #: 174 total cpu time spent up to now is 9.1 secs Computing kpt #: 175 total cpu time spent up to now is 9.2 secs Computing kpt #: 176 total cpu time spent up to now is 9.2 secs Computing kpt #: 177 total cpu time spent up to now is 9.2 secs Computing kpt #: 178 total cpu time spent up to now is 9.3 secs Computing kpt #: 179 total cpu time spent up to now is 9.3 secs Computing kpt #: 180 total cpu time spent up to now is 9.4 secs Computing kpt #: 181 total cpu time spent up to now is 9.4 secs Computing kpt #: 182 total cpu time spent up to now is 9.4 secs Computing kpt #: 183 total cpu time spent up to now is 9.5 secs Computing kpt #: 184 total cpu time spent up to now is 9.5 secs Computing kpt #: 185 total cpu time spent up to now is 9.6 secs Computing kpt #: 186 total cpu time spent up to now is 9.6 secs Computing kpt #: 187 total cpu time spent up to now is 9.7 secs Computing kpt #: 188 total cpu time spent up to now is 9.7 secs Computing kpt #: 189 total cpu time spent up to now is 9.8 secs Computing kpt #: 190 total cpu time spent up to now is 9.8 secs Computing kpt #: 191 total cpu time spent up to now is 9.9 secs Computing kpt #: 192 total cpu time spent up to now is 9.9 secs Computing kpt #: 193 total cpu time spent up to now is 9.9 secs Computing kpt #: 194 total cpu time spent up to now is 10.0 secs Computing kpt #: 195 total cpu time spent up to now is 10.0 secs Computing kpt #: 196 total cpu time spent up to now is 10.1 secs Computing kpt #: 197 total cpu time spent up to now is 10.1 secs Computing kpt #: 198 total cpu time spent up to now is 10.2 secs Computing kpt #: 199 total cpu time spent up to now is 10.2 secs Computing kpt #: 200 total cpu time spent up to now is 10.3 secs Computing kpt #: 201 total cpu time spent up to now is 10.3 secs Computing kpt #: 202 total cpu time spent up to now is 10.4 secs Computing kpt #: 203 total cpu time spent up to now is 10.4 secs Computing kpt #: 204 total cpu time spent up to now is 10.5 secs Computing kpt #: 205 total cpu time spent up to now is 10.5 secs Computing kpt #: 206 total cpu time spent up to now is 10.6 secs Computing kpt #: 207 total cpu time spent up to now is 10.6 secs Computing kpt #: 208 total cpu time spent up to now is 10.6 secs Computing kpt #: 209 total cpu time spent up to now is 10.7 secs Computing kpt #: 210 total cpu time spent up to now is 10.7 secs Computing kpt #: 211 total cpu time spent up to now is 10.8 secs Computing kpt #: 212 total cpu time spent up to now is 10.8 secs Computing kpt #: 213 total cpu time spent up to now is 10.9 secs Computing kpt #: 214 total cpu time spent up to now is 10.9 secs Computing kpt #: 215 total cpu time spent up to now is 11.0 secs Computing kpt #: 216 total cpu time spent up to now is 11.0 secs Computing kpt #: 217 total cpu time spent up to now is 11.1 secs Computing kpt #: 218 total cpu time spent up to now is 11.1 secs Computing kpt #: 219 total cpu time spent up to now is 11.1 secs Computing kpt #: 220 total cpu time spent up to now is 11.2 secs Computing kpt #: 221 total cpu time spent up to now is 11.2 secs Computing kpt #: 222 total cpu time spent up to now is 11.3 secs Computing kpt #: 223 total cpu time spent up to now is 11.3 secs Computing kpt #: 224 total cpu time spent up to now is 11.4 secs Computing kpt #: 225 total cpu time spent up to now is 11.4 secs Computing kpt #: 226 total cpu time spent up to now is 11.5 secs Computing kpt #: 227 total cpu time spent up to now is 11.5 secs Computing kpt #: 228 total cpu time spent up to now is 11.5 secs Computing kpt #: 229 total cpu time spent up to now is 11.6 secs Computing kpt #: 230 total cpu time spent up to now is 11.6 secs Computing kpt #: 231 total cpu time spent up to now is 11.7 secs Computing kpt #: 232 total cpu time spent up to now is 11.7 secs Computing kpt #: 233 total cpu time spent up to now is 11.8 secs Computing kpt #: 234 total cpu time spent up to now is 11.8 secs Computing kpt #: 235 total cpu time spent up to now is 11.9 secs Computing kpt #: 236 total cpu time spent up to now is 11.9 secs Computing kpt #: 237 total cpu time spent up to now is 11.9 secs Computing kpt #: 238 total cpu time spent up to now is 12.0 secs Computing kpt #: 239 total cpu time spent up to now is 12.0 secs Computing kpt #: 240 total cpu time spent up to now is 12.1 secs Computing kpt #: 241 total cpu time spent up to now is 12.1 secs Computing kpt #: 242 total cpu time spent up to now is 12.2 secs Computing kpt #: 243 total cpu time spent up to now is 12.2 secs Computing kpt #: 244 total cpu time spent up to now is 12.3 secs Computing kpt #: 245 total cpu time spent up to now is 12.3 secs Computing kpt #: 246 total cpu time spent up to now is 12.4 secs Computing kpt #: 247 total cpu time spent up to now is 12.4 secs Computing kpt #: 248 total cpu time spent up to now is 12.4 secs Computing kpt #: 249 total cpu time spent up to now is 12.5 secs Computing kpt #: 250 total cpu time spent up to now is 12.5 secs Computing kpt #: 251 total cpu time spent up to now is 12.6 secs Computing kpt #: 252 total cpu time spent up to now is 12.6 secs Computing kpt #: 253 total cpu time spent up to now is 12.7 secs Computing kpt #: 254 total cpu time spent up to now is 12.7 secs Computing kpt #: 255 total cpu time spent up to now is 12.8 secs Computing kpt #: 256 total cpu time spent up to now is 12.8 secs Computing kpt #: 257 total cpu time spent up to now is 12.9 secs Computing kpt #: 258 total cpu time spent up to now is 12.9 secs Computing kpt #: 259 total cpu time spent up to now is 13.0 secs Computing kpt #: 260 total cpu time spent up to now is 13.0 secs Computing kpt #: 261 total cpu time spent up to now is 13.1 secs Computing kpt #: 262 total cpu time spent up to now is 13.2 secs Computing kpt #: 263 total cpu time spent up to now is 13.2 secs Computing kpt #: 264 total cpu time spent up to now is 13.3 secs Computing kpt #: 265 total cpu time spent up to now is 13.3 secs Computing kpt #: 266 total cpu time spent up to now is 13.4 secs Computing kpt #: 267 total cpu time spent up to now is 13.4 secs Computing kpt #: 268 total cpu time spent up to now is 13.5 secs Computing kpt #: 269 total cpu time spent up to now is 13.5 secs Computing kpt #: 270 total cpu time spent up to now is 13.6 secs Computing kpt #: 271 total cpu time spent up to now is 13.6 secs Computing kpt #: 272 total cpu time spent up to now is 13.6 secs Computing kpt #: 273 total cpu time spent up to now is 13.7 secs Computing kpt #: 274 total cpu time spent up to now is 13.7 secs Computing kpt #: 275 total cpu time spent up to now is 13.8 secs Computing kpt #: 276 total cpu time spent up to now is 13.8 secs Computing kpt #: 277 total cpu time spent up to now is 13.9 secs Computing kpt #: 278 total cpu time spent up to now is 13.9 secs Computing kpt #: 279 total cpu time spent up to now is 14.0 secs Computing kpt #: 280 total cpu time spent up to now is 14.0 secs Computing kpt #: 281 total cpu time spent up to now is 14.1 secs Computing kpt #: 282 total cpu time spent up to now is 14.1 secs Computing kpt #: 283 total cpu time spent up to now is 14.2 secs Computing kpt #: 284 total cpu time spent up to now is 14.2 secs Computing kpt #: 285 total cpu time spent up to now is 14.2 secs Computing kpt #: 286 total cpu time spent up to now is 14.3 secs Computing kpt #: 287 total cpu time spent up to now is 14.3 secs Computing kpt #: 288 total cpu time spent up to now is 14.4 secs Computing kpt #: 289 total cpu time spent up to now is 14.4 secs Computing kpt #: 290 total cpu time spent up to now is 14.5 secs Computing kpt #: 291 total cpu time spent up to now is 14.5 secs Computing kpt #: 292 total cpu time spent up to now is 14.6 secs Computing kpt #: 293 total cpu time spent up to now is 14.6 secs Computing kpt #: 294 total cpu time spent up to now is 14.6 secs Computing kpt #: 295 total cpu time spent up to now is 14.7 secs Computing kpt #: 296 total cpu time spent up to now is 14.7 secs Computing kpt #: 297 total cpu time spent up to now is 14.9 secs Computing kpt #: 298 total cpu time spent up to now is 14.9 secs Computing kpt #: 299 total cpu time spent up to now is 15.0 secs Computing kpt #: 300 total cpu time spent up to now is 15.0 secs Computing kpt #: 301 total cpu time spent up to now is 15.0 secs Computing kpt #: 302 total cpu time spent up to now is 15.1 secs Computing kpt #: 303 total cpu time spent up to now is 15.1 secs Computing kpt #: 304 total cpu time spent up to now is 15.2 secs Computing kpt #: 305 total cpu time spent up to now is 15.2 secs Computing kpt #: 306 total cpu time spent up to now is 15.3 secs Computing kpt #: 307 total cpu time spent up to now is 15.3 secs Computing kpt #: 308 total cpu time spent up to now is 15.4 secs Computing kpt #: 309 total cpu time spent up to now is 15.4 secs Computing kpt #: 310 total cpu time spent up to now is 15.4 secs Computing kpt #: 311 total cpu time spent up to now is 15.5 secs Computing kpt #: 312 total cpu time spent up to now is 15.5 secs Computing kpt #: 313 total cpu time spent up to now is 15.6 secs Computing kpt #: 314 total cpu time spent up to now is 15.6 secs Computing kpt #: 315 total cpu time spent up to now is 15.7 secs Computing kpt #: 316 total cpu time spent up to now is 15.7 secs Computing kpt #: 317 total cpu time spent up to now is 15.8 secs Computing kpt #: 318 total cpu time spent up to now is 15.8 secs Computing kpt #: 319 total cpu time spent up to now is 15.9 secs Computing kpt #: 320 total cpu time spent up to now is 15.9 secs Computing kpt #: 321 total cpu time spent up to now is 16.0 secs Computing kpt #: 322 total cpu time spent up to now is 16.0 secs Computing kpt #: 323 total cpu time spent up to now is 16.1 secs Computing kpt #: 324 total cpu time spent up to now is 16.1 secs Computing kpt #: 325 total cpu time spent up to now is 16.2 secs Computing kpt #: 326 total cpu time spent up to now is 16.2 secs Computing kpt #: 327 total cpu time spent up to now is 16.2 secs Computing kpt #: 328 total cpu time spent up to now is 16.3 secs Computing kpt #: 329 total cpu time spent up to now is 16.3 secs Computing kpt #: 330 total cpu time spent up to now is 16.4 secs Computing kpt #: 331 total cpu time spent up to now is 16.4 secs Computing kpt #: 332 total cpu time spent up to now is 16.5 secs Computing kpt #: 333 total cpu time spent up to now is 16.5 secs Computing kpt #: 334 total cpu time spent up to now is 16.6 secs Computing kpt #: 335 total cpu time spent up to now is 16.6 secs Computing kpt #: 336 total cpu time spent up to now is 16.7 secs Computing kpt #: 337 total cpu time spent up to now is 16.7 secs Computing kpt #: 338 total cpu time spent up to now is 16.8 secs Computing kpt #: 339 total cpu time spent up to now is 16.8 secs Computing kpt #: 340 total cpu time spent up to now is 16.9 secs Computing kpt #: 341 total cpu time spent up to now is 16.9 secs Computing kpt #: 342 total cpu time spent up to now is 17.0 secs Computing kpt #: 343 total cpu time spent up to now is 17.0 secs Computing kpt #: 344 total cpu time spent up to now is 17.1 secs Computing kpt #: 345 total cpu time spent up to now is 17.2 secs Computing kpt #: 346 total cpu time spent up to now is 17.2 secs Computing kpt #: 347 total cpu time spent up to now is 17.3 secs Computing kpt #: 348 total cpu time spent up to now is 17.3 secs Computing kpt #: 349 total cpu time spent up to now is 17.4 secs Computing kpt #: 350 total cpu time spent up to now is 17.4 secs Computing kpt #: 351 total cpu time spent up to now is 17.5 secs Computing kpt #: 352 total cpu time spent up to now is 17.5 secs Computing kpt #: 353 total cpu time spent up to now is 17.6 secs Computing kpt #: 354 total cpu time spent up to now is 17.6 secs Computing kpt #: 355 total cpu time spent up to now is 17.7 secs Computing kpt #: 356 total cpu time spent up to now is 17.7 secs Computing kpt #: 357 total cpu time spent up to now is 17.8 secs Computing kpt #: 358 total cpu time spent up to now is 17.8 secs Computing kpt #: 359 total cpu time spent up to now is 17.9 secs Computing kpt #: 360 total cpu time spent up to now is 17.9 secs Computing kpt #: 361 total cpu time spent up to now is 18.0 secs Computing kpt #: 362 total cpu time spent up to now is 18.0 secs Computing kpt #: 363 total cpu time spent up to now is 18.1 secs Computing kpt #: 364 total cpu time spent up to now is 18.1 secs Computing kpt #: 365 total cpu time spent up to now is 18.2 secs Computing kpt #: 366 total cpu time spent up to now is 18.2 secs Computing kpt #: 367 total cpu time spent up to now is 18.3 secs Computing kpt #: 368 total cpu time spent up to now is 18.3 secs Computing kpt #: 369 total cpu time spent up to now is 18.4 secs Computing kpt #: 370 total cpu time spent up to now is 18.4 secs Computing kpt #: 371 total cpu time spent up to now is 18.5 secs Computing kpt #: 372 total cpu time spent up to now is 18.5 secs Computing kpt #: 373 total cpu time spent up to now is 18.5 secs Computing kpt #: 374 total cpu time spent up to now is 18.6 secs Computing kpt #: 375 total cpu time spent up to now is 18.6 secs Computing kpt #: 376 total cpu time spent up to now is 18.7 secs Computing kpt #: 377 total cpu time spent up to now is 18.8 secs Computing kpt #: 378 total cpu time spent up to now is 18.8 secs Computing kpt #: 379 total cpu time spent up to now is 18.9 secs Computing kpt #: 380 total cpu time spent up to now is 19.0 secs Computing kpt #: 381 total cpu time spent up to now is 19.0 secs Computing kpt #: 382 total cpu time spent up to now is 19.1 secs Computing kpt #: 383 total cpu time spent up to now is 19.1 secs Computing kpt #: 384 total cpu time spent up to now is 19.2 secs Computing kpt #: 385 total cpu time spent up to now is 19.3 secs Computing kpt #: 386 total cpu time spent up to now is 19.3 secs Computing kpt #: 387 total cpu time spent up to now is 19.4 secs Computing kpt #: 388 total cpu time spent up to now is 19.4 secs Computing kpt #: 389 total cpu time spent up to now is 19.5 secs Computing kpt #: 390 total cpu time spent up to now is 19.5 secs Computing kpt #: 391 total cpu time spent up to now is 19.6 secs Computing kpt #: 392 total cpu time spent up to now is 19.7 secs Computing kpt #: 393 total cpu time spent up to now is 19.7 secs Computing kpt #: 394 total cpu time spent up to now is 19.8 secs Computing kpt #: 395 total cpu time spent up to now is 19.8 secs Computing kpt #: 396 total cpu time spent up to now is 19.9 secs Computing kpt #: 397 total cpu time spent up to now is 19.9 secs Computing kpt #: 398 total cpu time spent up to now is 20.0 secs Computing kpt #: 399 total cpu time spent up to now is 20.0 secs Computing kpt #: 400 total cpu time spent up to now is 20.1 secs Computing kpt #: 401 total cpu time spent up to now is 20.1 secs Computing kpt #: 402 total cpu time spent up to now is 20.2 secs Computing kpt #: 403 total cpu time spent up to now is 20.2 secs Computing kpt #: 404 total cpu time spent up to now is 20.3 secs Computing kpt #: 405 total cpu time spent up to now is 20.3 secs Computing kpt #: 406 total cpu time spent up to now is 20.4 secs Computing kpt #: 407 total cpu time spent up to now is 20.4 secs Computing kpt #: 408 total cpu time spent up to now is 20.4 secs Computing kpt #: 409 total cpu time spent up to now is 20.5 secs Computing kpt #: 410 total cpu time spent up to now is 20.5 secs Computing kpt #: 411 total cpu time spent up to now is 20.6 secs Computing kpt #: 412 total cpu time spent up to now is 20.6 secs Computing kpt #: 413 total cpu time spent up to now is 20.6 secs Computing kpt #: 414 total cpu time spent up to now is 20.7 secs Computing kpt #: 415 total cpu time spent up to now is 20.7 secs Computing kpt #: 416 total cpu time spent up to now is 20.8 secs Computing kpt #: 417 total cpu time spent up to now is 20.8 secs Computing kpt #: 418 total cpu time spent up to now is 20.8 secs Computing kpt #: 419 total cpu time spent up to now is 20.9 secs Computing kpt #: 420 total cpu time spent up to now is 20.9 secs Computing kpt #: 421 total cpu time spent up to now is 21.0 secs Computing kpt #: 422 total cpu time spent up to now is 21.0 secs Computing kpt #: 423 total cpu time spent up to now is 21.0 secs Computing kpt #: 424 total cpu time spent up to now is 21.1 secs Computing kpt #: 425 total cpu time spent up to now is 21.1 secs Computing kpt #: 426 total cpu time spent up to now is 21.2 secs Computing kpt #: 427 total cpu time spent up to now is 21.2 secs Computing kpt #: 428 total cpu time spent up to now is 21.2 secs Computing kpt #: 429 total cpu time spent up to now is 21.3 secs Computing kpt #: 430 total cpu time spent up to now is 21.3 secs Computing kpt #: 431 total cpu time spent up to now is 21.4 secs Computing kpt #: 432 total cpu time spent up to now is 21.4 secs Computing kpt #: 433 total cpu time spent up to now is 21.4 secs Computing kpt #: 434 total cpu time spent up to now is 21.5 secs Computing kpt #: 435 total cpu time spent up to now is 21.5 secs Computing kpt #: 436 total cpu time spent up to now is 21.5 secs Computing kpt #: 437 total cpu time spent up to now is 21.6 secs Computing kpt #: 438 total cpu time spent up to now is 21.6 secs Computing kpt #: 439 total cpu time spent up to now is 21.7 secs Computing kpt #: 440 total cpu time spent up to now is 21.7 secs Computing kpt #: 441 total cpu time spent up to now is 21.7 secs Computing kpt #: 442 total cpu time spent up to now is 21.8 secs Computing kpt #: 443 total cpu time spent up to now is 21.8 secs Computing kpt #: 444 total cpu time spent up to now is 21.8 secs Computing kpt #: 445 total cpu time spent up to now is 21.9 secs Computing kpt #: 446 total cpu time spent up to now is 21.9 secs Computing kpt #: 447 total cpu time spent up to now is 22.0 secs Computing kpt #: 448 total cpu time spent up to now is 22.0 secs Computing kpt #: 449 total cpu time spent up to now is 22.0 secs Computing kpt #: 450 total cpu time spent up to now is 22.1 secs Computing kpt #: 451 total cpu time spent up to now is 22.1 secs Computing kpt #: 452 total cpu time spent up to now is 22.2 secs Computing kpt #: 453 total cpu time spent up to now is 22.3 secs Computing kpt #: 454 total cpu time spent up to now is 22.3 secs Computing kpt #: 455 total cpu time spent up to now is 22.4 secs Computing kpt #: 456 total cpu time spent up to now is 22.5 secs Computing kpt #: 457 total cpu time spent up to now is 22.5 secs Computing kpt #: 458 total cpu time spent up to now is 22.6 secs Computing kpt #: 459 total cpu time spent up to now is 22.7 secs Computing kpt #: 460 total cpu time spent up to now is 22.7 secs Computing kpt #: 461 total cpu time spent up to now is 22.8 secs Computing kpt #: 462 total cpu time spent up to now is 22.8 secs Computing kpt #: 463 total cpu time spent up to now is 22.9 secs Computing kpt #: 464 total cpu time spent up to now is 23.0 secs Computing kpt #: 465 total cpu time spent up to now is 23.0 secs Computing kpt #: 466 total cpu time spent up to now is 23.1 secs Computing kpt #: 467 total cpu time spent up to now is 23.1 secs Computing kpt #: 468 total cpu time spent up to now is 23.2 secs Computing kpt #: 469 total cpu time spent up to now is 23.3 secs Computing kpt #: 470 total cpu time spent up to now is 23.3 secs Computing kpt #: 471 total cpu time spent up to now is 23.4 secs Computing kpt #: 472 total cpu time spent up to now is 23.4 secs Computing kpt #: 473 total cpu time spent up to now is 23.5 secs Computing kpt #: 474 total cpu time spent up to now is 23.5 secs Computing kpt #: 475 total cpu time spent up to now is 23.6 secs Computing kpt #: 476 total cpu time spent up to now is 23.6 secs Computing kpt #: 477 total cpu time spent up to now is 23.7 secs Computing kpt #: 478 total cpu time spent up to now is 23.7 secs Computing kpt #: 479 total cpu time spent up to now is 23.8 secs Computing kpt #: 480 total cpu time spent up to now is 23.8 secs Computing kpt #: 481 total cpu time spent up to now is 23.9 secs Computing kpt #: 482 total cpu time spent up to now is 23.9 secs Computing kpt #: 483 total cpu time spent up to now is 24.0 secs Computing kpt #: 484 total cpu time spent up to now is 24.0 secs Computing kpt #: 485 total cpu time spent up to now is 24.1 secs Computing kpt #: 486 total cpu time spent up to now is 24.1 secs Computing kpt #: 487 total cpu time spent up to now is 24.2 secs Computing kpt #: 488 total cpu time spent up to now is 24.2 secs Computing kpt #: 489 total cpu time spent up to now is 24.2 secs Computing kpt #: 490 total cpu time spent up to now is 24.3 secs Computing kpt #: 491 total cpu time spent up to now is 24.3 secs Computing kpt #: 492 total cpu time spent up to now is 24.4 secs Computing kpt #: 493 total cpu time spent up to now is 24.4 secs Computing kpt #: 494 total cpu time spent up to now is 24.5 secs Computing kpt #: 495 total cpu time spent up to now is 24.5 secs Computing kpt #: 496 total cpu time spent up to now is 24.6 secs Computing kpt #: 497 total cpu time spent up to now is 24.6 secs Computing kpt #: 498 total cpu time spent up to now is 24.6 secs Computing kpt #: 499 total cpu time spent up to now is 24.7 secs Computing kpt #: 500 total cpu time spent up to now is 24.7 secs Computing kpt #: 501 total cpu time spent up to now is 24.8 secs Computing kpt #: 502 total cpu time spent up to now is 24.8 secs Computing kpt #: 503 total cpu time spent up to now is 24.9 secs Computing kpt #: 504 total cpu time spent up to now is 24.9 secs Computing kpt #: 505 total cpu time spent up to now is 25.0 secs ethr = 1.00E-07, avg # of iterations = 11.0 total cpu time spent up to now is 25.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6737 -30.6737 -30.6737 -30.6737 1.6103 1.6103 28.8911 28.8911 28.8911 28.8911 28.8911 28.8911 31.6262 31.6262 k = 0.0047-0.0033 0.0057 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6737 -30.6737 -30.6737 -30.6737 1.6118 1.6118 28.8777 28.8777 28.8777 28.8777 28.8926 28.8926 31.5701 31.5701 k = 0.0093-0.0066 0.0114 ( 675 PWs) bands (ev): -64.1684 -64.1684 -30.9620 -30.9620 -30.6739 -30.6739 -30.6738 -30.6738 1.6164 1.6164 28.8379 28.8379 28.8381 28.8381 28.8970 28.8970 31.4204 31.4204 k = 0.0140-0.0099 0.0172 ( 675 PWs) bands (ev): -64.1683 -64.1683 -30.9622 -30.9622 -30.6743 -30.6743 -30.6740 -30.6740 1.6241 1.6241 28.7733 28.7733 28.7736 28.7736 28.9044 28.9044 31.2115 31.2115 k = 0.0187-0.0132 0.0229 ( 675 PWs) bands (ev): -64.1682 -64.1682 -30.9626 -30.9626 -30.6747 -30.6747 -30.6742 -30.6742 1.6349 1.6349 28.6861 28.6861 28.6866 28.6866 28.9147 28.9147 30.9693 30.9693 k = 0.0234-0.0165 0.0286 ( 667 PWs) bands (ev): -64.1680 -64.1680 -30.9630 -30.9630 -30.6752 -30.6752 -30.6745 -30.6745 1.6487 1.6487 28.5794 28.5794 28.5802 28.5802 28.9280 28.9280 30.7091 30.7091 k = 0.0280-0.0198 0.0343 ( 667 PWs) bands (ev): -64.1678 -64.1678 -30.9635 -30.9635 -30.6759 -30.6759 -30.6749 -30.6749 1.6656 1.6656 28.4551 28.4551 28.4563 28.4563 28.9442 28.9442 30.4389 30.4389 k = 0.0327-0.0231 0.0401 ( 667 PWs) bands (ev): -64.1675 -64.1675 -30.9641 -30.9641 -30.6768 -30.6768 -30.6754 -30.6754 1.6856 1.6856 28.3164 28.3164 28.3179 28.3179 28.9633 28.9633 30.1635 30.1635 k = 0.0374-0.0264 0.0458 ( 667 PWs) bands (ev): -64.1672 -64.1672 -30.9649 -30.9649 -30.6778 -30.6778 -30.6759 -30.6759 1.7086 1.7086 28.1658 28.1658 28.1677 28.1677 28.9854 28.9854 29.8855 29.8855 k = 0.0421-0.0297 0.0515 ( 667 PWs) bands (ev): -64.1669 -64.1669 -30.9657 -30.9657 -30.6789 -30.6789 -30.6765 -30.6765 1.7347 1.7347 28.0055 28.0055 28.0078 28.0078 29.0105 29.0105 29.6066 29.6066 k = 0.0467-0.0330 0.0572 ( 659 PWs) bands (ev): -64.1665 -64.1665 -30.9666 -30.9666 -30.6800 -30.6800 -30.6771 -30.6771 1.7639 1.7639 27.8380 27.8380 27.8406 27.8406 29.0385 29.0385 29.3281 29.3281 k = 0.0514-0.0363 0.0630 ( 659 PWs) bands (ev): -64.1661 -64.1661 -30.9676 -30.9676 -30.6814 -30.6814 -30.6779 -30.6779 1.7961 1.7961 27.6637 27.6637 27.6666 27.6666 29.0501 29.0501 29.0694 29.0694 k = 0.0561-0.0397 0.0687 ( 659 PWs) bands (ev): -64.1656 -64.1656 -30.9687 -30.9687 -30.6828 -30.6828 -30.6787 -30.6787 1.8313 1.8313 27.4845 27.4845 27.4878 27.4878 28.7736 28.7736 29.1033 29.1033 k = 0.0607-0.0430 0.0744 ( 659 PWs) bands (ev): -64.1652 -64.1652 -30.9700 -30.9700 -30.6844 -30.6844 -30.6796 -30.6796 1.8695 1.8695 27.3015 27.3015 27.3052 27.3052 28.4987 28.4987 29.1401 29.1401 k = 0.0654-0.0463 0.0801 ( 659 PWs) bands (ev): -64.1647 -64.1647 -30.9713 -30.9713 -30.6861 -30.6861 -30.6805 -30.6805 1.9108 1.9108 27.1158 27.1158 27.1199 27.1199 28.2258 28.2258 29.1799 29.1799 k = 0.0701-0.0496 0.0858 ( 659 PWs) bands (ev): -64.1641 -64.1641 -30.9727 -30.9727 -30.6879 -30.6879 -30.6815 -30.6815 1.9550 1.9550 26.9280 26.9280 26.9325 26.9325 27.9551 27.9551 29.2226 29.2226 k = 0.0748-0.0529 0.0916 ( 659 PWs) bands (ev): -64.1635 -64.1635 -30.9742 -30.9742 -30.6898 -30.6898 -30.6826 -30.6826 2.0023 2.0023 26.7389 26.7389 26.7438 26.7438 27.6866 27.6866 29.2682 29.2682 k = 0.0794-0.0562 0.0973 ( 659 PWs) bands (ev): -64.1629 -64.1629 -30.9757 -30.9757 -30.6918 -30.6918 -30.6838 -30.6838 2.0526 2.0526 26.5490 26.5490 26.5543 26.5543 27.4206 27.4206 29.3168 29.3168 k = 0.0841-0.0595 0.1030 ( 659 PWs) bands (ev): -64.1622 -64.1622 -30.9774 -30.9774 -30.6939 -30.6939 -30.6850 -30.6850 2.1058 2.1058 26.3588 26.3588 26.3644 26.3644 27.1571 27.1571 29.3683 29.3683 k = 0.0888-0.0628 0.1087 ( 659 PWs) bands (ev): -64.1616 -64.1616 -30.9791 -30.9791 -30.6961 -30.6961 -30.6863 -30.6863 2.1621 2.1621 26.1686 26.1686 26.1747 26.1747 26.8961 26.8961 29.4228 29.4228 k = 0.0935-0.0661 0.1145 ( 659 PWs) bands (ev): -64.1608 -64.1608 -30.9809 -30.9809 -30.6983 -30.6983 -30.6876 -30.6876 2.2212 2.2212 25.9789 25.9789 25.9853 25.9853 26.6378 26.6378 29.4802 29.4802 k = 0.0981-0.0694 0.1202 ( 663 PWs) bands (ev): -64.1601 -64.1601 -30.9829 -30.9829 -30.7007 -30.7007 -30.6891 -30.6891 2.2834 2.2834 25.7898 25.7898 25.7965 25.7965 26.3821 26.3821 29.5402 29.5402 k = 0.1028-0.0727 0.1259 ( 663 PWs) bands (ev): -64.1593 -64.1593 -30.9848 -30.9848 -30.7032 -30.7032 -30.6906 -30.6906 2.3484 2.3484 25.6016 25.6016 25.6087 25.6087 26.1292 26.1292 29.6035 29.6035 k = 0.1075-0.0760 0.1316 ( 659 PWs) bands (ev): -64.1585 -64.1585 -30.9868 -30.9868 -30.7056 -30.7056 -30.6921 -30.6921 2.4165 2.4165 25.4147 25.4147 25.4222 25.4222 25.8790 25.8790 29.6697 29.6697 k = 0.1121-0.0793 0.1374 ( 659 PWs) bands (ev): -64.1577 -64.1577 -30.9889 -30.9889 -30.7082 -30.7082 -30.6937 -30.6937 2.4874 2.4874 25.2290 25.2290 25.2368 25.2368 25.6316 25.6316 29.7389 29.7389 k = 0.1168-0.0826 0.1431 ( 659 PWs) bands (ev): -64.1568 -64.1568 -30.9911 -30.9911 -30.7108 -30.7108 -30.6953 -30.6953 2.5612 2.5612 25.0447 25.0447 25.0529 25.0529 25.3870 25.3870 29.8109 29.8109 k = 0.1215-0.0859 0.1488 ( 651 PWs) bands (ev): -64.1559 -64.1559 -30.9933 -30.9933 -30.7134 -30.7134 -30.6969 -30.6969 2.6379 2.6379 24.8625 24.8625 24.8710 24.8710 25.1453 25.1453 29.8867 29.8867 k = 0.1262-0.0892 0.1545 ( 655 PWs) bands (ev): -64.1550 -64.1550 -30.9956 -30.9956 -30.7162 -30.7162 -30.6987 -30.6987 2.7174 2.7174 24.6815 24.6815 24.6904 24.6904 24.9063 24.9063 29.9646 29.9646 k = 0.1308-0.0925 0.1602 ( 655 PWs) bands (ev): -64.1541 -64.1541 -30.9980 -30.9980 -30.7190 -30.7190 -30.7005 -30.7005 2.7998 2.7998 24.5023 24.5023 24.5116 24.5116 24.6702 24.6702 30.0455 30.0455 k = 0.1355-0.0958 0.1660 ( 655 PWs) bands (ev): -64.1531 -64.1531 -31.0004 -31.0004 -30.7219 -30.7219 -30.7024 -30.7024 2.8850 2.8850 24.3250 24.3250 24.3346 24.3346 24.4370 24.4370 30.1293 30.1293 k = 0.1402-0.0991 0.1717 ( 655 PWs) bands (ev): -64.1522 -64.1522 -31.0028 -31.0028 -30.7248 -30.7248 -30.7043 -30.7043 2.9731 2.9731 24.1497 24.1497 24.1597 24.1597 24.2066 24.2066 30.0307 30.0307 k = 0.1449-0.1024 0.1774 ( 655 PWs) bands (ev): -64.1512 -64.1512 -31.0054 -31.0054 -30.7277 -30.7277 -30.7063 -30.7063 3.0640 3.0640 23.9764 23.9764 23.9791 23.9791 23.9867 23.9867 29.9100 29.9100 k = 0.1495-0.1057 0.1831 ( 655 PWs) bands (ev): -64.1501 -64.1501 -31.0079 -31.0079 -30.7306 -30.7306 -30.7083 -30.7083 3.1576 3.1576 23.7545 23.7545 23.8052 23.8052 23.8159 23.8159 29.7855 29.7855 k = 0.1542-0.1090 0.1889 ( 655 PWs) bands (ev): -64.1491 -64.1491 -31.0105 -31.0105 -30.7336 -30.7336 -30.7104 -30.7104 3.2540 3.2540 23.5329 23.5329 23.6361 23.6361 23.6472 23.6472 29.6573 29.6573 k = 0.1589-0.1123 0.1946 ( 655 PWs) bands (ev): -64.1480 -64.1480 -31.0131 -31.0131 -30.7366 -30.7366 -30.7125 -30.7125 3.3532 3.3532 23.3141 23.3141 23.4693 23.4693 23.4806 23.4806 29.5256 29.5256 k = 0.1636-0.1156 0.2003 ( 655 PWs) bands (ev): -64.1470 -64.1470 -31.0158 -31.0158 -30.7396 -30.7396 -30.7147 -30.7147 3.4551 3.4551 23.0982 23.0982 23.3046 23.3046 23.3163 23.3163 29.3906 29.3906 k = 0.1682-0.1190 0.2060 ( 655 PWs) bands (ev): -64.1459 -64.1459 -31.0185 -31.0185 -30.7426 -30.7426 -30.7169 -30.7169 3.5597 3.5597 22.8853 22.8853 23.1422 23.1422 23.1543 23.1543 29.2526 29.2526 k = 0.1729-0.1223 0.2118 ( 655 PWs) bands (ev): -64.1448 -64.1448 -31.0212 -31.0212 -30.7457 -30.7457 -30.7192 -30.7192 3.6670 3.6670 22.6753 22.6753 22.9821 22.9821 22.9945 22.9945 29.1117 29.1117 k = 0.1776-0.1256 0.2175 ( 655 PWs) bands (ev): -64.1437 -64.1437 -31.0239 -31.0239 -30.7487 -30.7487 -30.7215 -30.7215 3.7770 3.7770 22.4682 22.4682 22.8243 22.8243 22.8370 22.8370 28.9680 28.9680 k = 0.1822-0.1289 0.2232 ( 667 PWs) bands (ev): -64.1426 -64.1426 -31.0268 -31.0268 -30.7519 -30.7519 -30.7239 -30.7239 3.8896 3.8896 22.2640 22.2640 22.6688 22.6688 22.6819 22.6819 28.8211 28.8211 k = 0.1869-0.1322 0.2289 ( 667 PWs) bands (ev): -64.1415 -64.1415 -31.0296 -31.0296 -30.7549 -30.7549 -30.7263 -30.7263 4.0049 4.0049 22.0628 22.0628 22.5157 22.5157 22.5291 22.5291 28.6726 28.6726 k = 0.1916-0.1355 0.2346 ( 667 PWs) bands (ev): -64.1403 -64.1403 -31.0323 -31.0323 -30.7580 -30.7580 -30.7287 -30.7287 4.1228 4.1228 21.8645 21.8645 22.3650 22.3650 22.3787 22.3787 28.5219 28.5219 k = 0.1963-0.1388 0.2404 ( 667 PWs) bands (ev): -64.1392 -64.1392 -31.0351 -31.0351 -30.7610 -30.7610 -30.7311 -30.7311 4.2433 4.2433 21.6692 21.6692 22.2166 22.2166 22.2307 22.2307 28.3692 28.3692 k = 0.2009-0.1421 0.2461 ( 667 PWs) bands (ev): -64.1380 -64.1380 -31.0379 -31.0379 -30.7640 -30.7640 -30.7336 -30.7336 4.3664 4.3664 21.4768 21.4768 22.0707 22.0707 22.0851 22.0851 28.2146 28.2146 k = 0.2056-0.1454 0.2518 ( 667 PWs) bands (ev): -64.1368 -64.1368 -31.0407 -31.0407 -30.7670 -30.7670 -30.7361 -30.7361 4.4920 4.4920 21.2874 21.2874 21.9271 21.9271 21.9418 21.9418 28.0584 28.0584 k = 0.2103-0.1487 0.2575 ( 667 PWs) bands (ev): -64.1357 -64.1357 -31.0435 -31.0435 -30.7700 -30.7700 -30.7386 -30.7386 4.6202 4.6202 21.1009 21.1009 21.7859 21.7859 21.8010 21.8010 27.9007 27.9007 k = 0.2150-0.1520 0.2633 ( 667 PWs) bands (ev): -64.1345 -64.1345 -31.0463 -31.0463 -30.7729 -30.7729 -30.7412 -30.7412 4.7509 4.7509 20.9174 20.9174 21.6472 21.6472 21.6626 21.6626 27.7416 27.7416 k = 0.2196-0.1553 0.2690 ( 659 PWs) bands (ev): -64.1333 -64.1333 -31.0489 -31.0489 -30.7757 -30.7757 -30.7437 -30.7437 4.8842 4.8842 20.7369 20.7369 21.5114 21.5114 21.5271 21.5271 27.5817 27.5817 k = 0.2243-0.1586 0.2747 ( 659 PWs) bands (ev): -64.1321 -64.1321 -31.0517 -31.0517 -30.7786 -30.7786 -30.7463 -30.7463 5.0198 5.0198 20.5593 20.5593 21.3775 21.3775 21.3935 21.3935 27.4202 27.4202 k = 0.2290-0.1619 0.2804 ( 659 PWs) bands (ev): -64.1310 -64.1310 -31.0544 -31.0544 -30.7815 -30.7815 -30.7489 -30.7489 5.1579 5.1579 20.3847 20.3847 21.2460 21.2460 21.2623 21.2623 27.2578 27.2578 k = 0.2336-0.1652 0.2862 ( 667 PWs) bands (ev): -64.1298 -64.1298 -31.0572 -31.0572 -30.7844 -30.7844 -30.7516 -30.7516 5.2984 5.2984 20.2130 20.2130 21.1169 21.1169 21.1335 21.1335 27.0943 27.0943 k = 0.2383-0.1685 0.2919 ( 671 PWs) bands (ev): -64.1286 -64.1286 -31.0599 -31.0599 -30.7873 -30.7873 -30.7543 -30.7543 5.4413 5.4413 20.0442 20.0442 20.9902 20.9902 21.0072 21.0072 26.9299 26.9299 k = 0.2430-0.1718 0.2976 ( 671 PWs) bands (ev): -64.1275 -64.1275 -31.0626 -31.0626 -30.7900 -30.7900 -30.7569 -30.7569 5.5866 5.5866 19.8785 19.8785 20.8660 20.8660 20.8833 20.8833 26.7651 26.7651 k = 0.2477-0.1751 0.3033 ( 671 PWs) bands (ev): -64.1263 -64.1263 -31.0652 -31.0652 -30.7927 -30.7927 -30.7596 -30.7596 5.7343 5.7343 19.7157 19.7157 20.7442 20.7442 20.7618 20.7618 26.5998 26.5998 k = 0.2523-0.1784 0.3090 ( 671 PWs) bands (ev): -64.1251 -64.1251 -31.0679 -31.0679 -30.7954 -30.7954 -30.7623 -30.7623 5.8843 5.8843 19.5559 19.5559 20.6248 20.6248 20.6427 20.6427 26.4339 26.4339 k = 0.2570-0.1817 0.3148 ( 671 PWs) bands (ev): -64.1240 -64.1240 -31.0704 -31.0704 -30.7980 -30.7980 -30.7650 -30.7650 6.0366 6.0366 19.3991 19.3991 20.5078 20.5078 20.5260 20.5260 26.2676 26.2676 k = 0.2617-0.1850 0.3205 ( 667 PWs) bands (ev): -64.1228 -64.1228 -31.0729 -31.0729 -30.8005 -30.8005 -30.7676 -30.7676 6.1912 6.1912 19.2453 19.2453 20.3933 20.3933 20.4118 20.4118 26.1011 26.1011 k = 0.2664-0.1883 0.3262 ( 659 PWs) bands (ev): -64.1217 -64.1217 -31.0753 -31.0753 -30.8029 -30.8029 -30.7702 -30.7702 6.3482 6.3482 19.0945 19.0945 20.2818 20.2818 20.3006 20.3006 25.9343 25.9343 k = 0.2710-0.1916 0.3319 ( 659 PWs) bands (ev): -64.1205 -64.1205 -31.0778 -31.0778 -30.8054 -30.8054 -30.7729 -30.7729 6.5072 6.5072 18.9466 18.9466 20.1720 20.1720 20.1911 20.1911 25.7671 25.7671 k = 0.2757-0.1949 0.3377 ( 659 PWs) bands (ev): -64.1194 -64.1194 -31.0802 -31.0802 -30.8078 -30.8078 -30.7756 -30.7756 6.6685 6.6685 18.8017 18.8017 20.0646 20.0646 20.0840 20.0840 25.5997 25.5997 k = 0.2804-0.1983 0.3434 ( 659 PWs) bands (ev): -64.1183 -64.1183 -31.0826 -31.0826 -30.8102 -30.8102 -30.7782 -30.7782 6.8318 6.8318 18.6599 18.6599 19.9603 19.9603 19.9799 19.9799 25.4315 25.4315 k = 0.2850-0.2016 0.3491 ( 659 PWs) bands (ev): -64.1172 -64.1172 -31.0850 -31.0850 -30.8125 -30.8125 -30.7808 -30.7808 6.9973 6.9973 18.5209 18.5209 19.8576 19.8576 19.8776 19.8776 25.2638 25.2638 k = 0.2897-0.2049 0.3548 ( 659 PWs) bands (ev): -64.1161 -64.1161 -31.0873 -31.0873 -30.8147 -30.8147 -30.7835 -30.7835 7.1650 7.1650 18.3849 18.3849 19.7574 19.7574 19.7776 19.7776 25.0960 25.0960 k = 0.2944-0.2082 0.3606 ( 659 PWs) bands (ev): -64.1151 -64.1151 -31.0895 -31.0895 -30.8169 -30.8169 -30.7861 -30.7861 7.3348 7.3348 18.2519 18.2519 19.6595 19.6595 19.6800 19.6800 24.9281 24.9281 k = 0.2991-0.2115 0.3663 ( 659 PWs) bands (ev): -64.1140 -64.1140 -31.0917 -31.0917 -30.8190 -30.8190 -30.7887 -30.7887 7.5066 7.5066 18.1219 18.1219 19.5639 19.5639 19.5847 19.5847 24.7601 24.7601 k = 0.3037-0.2148 0.3720 ( 659 PWs) bands (ev): -64.1130 -64.1130 -31.0939 -31.0939 -30.8210 -30.8210 -30.7914 -30.7914 7.6804 7.6804 17.9948 17.9948 19.4707 19.4707 19.4918 19.4918 24.5920 24.5920 k = 0.3084-0.2181 0.3777 ( 659 PWs) bands (ev): -64.1120 -64.1120 -31.0960 -31.0960 -30.8230 -30.8230 -30.7939 -30.7939 7.8563 7.8563 17.8707 17.8707 19.3799 19.3799 19.4012 19.4012 24.4238 24.4238 k = 0.3131-0.2214 0.3834 ( 659 PWs) bands (ev): -64.1110 -64.1110 -31.0981 -31.0981 -30.8249 -30.8249 -30.7965 -30.7965 8.0341 8.0341 17.7497 17.7497 19.2914 19.2914 19.3130 19.3130 24.2554 24.2554 k = 0.3178-0.2247 0.3892 ( 659 PWs) bands (ev): -64.1100 -64.1100 -31.1001 -31.1001 -30.8267 -30.8267 -30.7990 -30.7990 8.2138 8.2138 17.6316 17.6316 19.2052 19.2052 19.2270 19.2270 24.0868 24.0868 k = 0.3224-0.2280 0.3949 ( 659 PWs) bands (ev): -64.1090 -64.1090 -31.1021 -31.1021 -30.8285 -30.8285 -30.8015 -30.8015 8.3954 8.3954 17.5164 17.5164 19.1213 19.1213 19.1434 19.1434 23.9181 23.9181 k = 0.3271-0.2313 0.4006 ( 667 PWs) bands (ev): -64.1081 -64.1081 -31.1041 -31.1041 -30.8303 -30.8303 -30.8041 -30.8041 8.5788 8.5788 17.4043 17.4043 19.0395 19.0395 19.0618 19.0618 23.7491 23.7491 k = 0.3318-0.2346 0.4063 ( 671 PWs) bands (ev): -64.1071 -64.1071 -31.1060 -31.1060 -30.8320 -30.8320 -30.8066 -30.8066 8.7640 8.7640 17.2952 17.2952 18.9602 18.9602 18.9828 18.9828 23.5797 23.5797 k = 0.3364-0.2379 0.4121 ( 671 PWs) bands (ev): -64.1062 -64.1062 -31.1078 -31.1078 -30.8336 -30.8336 -30.8090 -30.8090 8.9510 8.9510 17.1890 17.1890 18.8832 18.8832 18.9061 18.9061 23.4100 23.4100 k = 0.3411-0.2412 0.4178 ( 667 PWs) bands (ev): -64.1053 -64.1053 -31.1096 -31.1096 -30.8351 -30.8351 -30.8113 -30.8113 9.1398 9.1398 17.0858 17.0858 18.8085 18.8085 18.8316 18.8316 23.2400 23.2400 k = 0.3458-0.2445 0.4235 ( 667 PWs) bands (ev): -64.1044 -64.1044 -31.1113 -31.1113 -30.8365 -30.8365 -30.8137 -30.8137 9.3302 9.3302 16.9856 16.9856 18.7361 18.7361 18.7595 18.7595 23.0694 23.0694 k = 0.3505-0.2478 0.4292 ( 667 PWs) bands (ev): -64.1036 -64.1036 -31.1130 -31.1130 -30.8379 -30.8379 -30.8160 -30.8160 9.5222 9.5222 16.8884 16.8884 18.6660 18.6660 18.6895 18.6895 22.8983 22.8983 k = 0.3551-0.2511 0.4350 ( 667 PWs) bands (ev): -64.1028 -64.1028 -31.1146 -31.1146 -30.8392 -30.8392 -30.8182 -30.8182 9.7158 9.7158 16.7942 16.7942 18.5981 18.5981 18.6219 18.6219 22.7264 22.7264 k = 0.3598-0.2544 0.4407 ( 667 PWs) bands (ev): -64.1019 -64.1019 -31.1162 -31.1162 -30.8405 -30.8405 -30.8204 -30.8204 9.9110 9.9110 16.7030 16.7030 18.5324 18.5324 18.5564 18.5564 22.5539 22.5539 k = 0.3645-0.2577 0.4464 ( 667 PWs) bands (ev): -64.1012 -64.1012 -31.1177 -31.1177 -30.8417 -30.8417 -30.8225 -30.8225 10.1076 10.1076 16.6147 16.6147 18.4690 18.4690 18.4933 18.4933 22.3806 22.3806 k = 0.3692-0.2610 0.4521 ( 667 PWs) bands (ev): -64.1004 -64.1004 -31.1192 -31.1192 -30.8428 -30.8428 -30.8246 -30.8246 10.3056 10.3056 16.5295 16.5295 18.4079 18.4079 18.4323 18.4323 22.2064 22.2064 k = 0.3738-0.2643 0.4578 ( 667 PWs) bands (ev): -64.0997 -64.0997 -31.1206 -31.1206 -30.8439 -30.8439 -30.8267 -30.8267 10.5050 10.5050 16.4472 16.4472 18.3489 18.3489 18.3736 18.3736 22.0312 22.0312 k = 0.3785-0.2676 0.4636 ( 671 PWs) bands (ev): -64.0990 -64.0990 -31.1220 -31.1220 -30.8450 -30.8450 -30.8287 -30.8287 10.7056 10.7056 16.3678 16.3678 18.2921 18.2921 18.3169 18.3169 21.8549 21.8549 k = 0.3832-0.2709 0.4693 ( 671 PWs) bands (ev): -64.0983 -64.0983 -31.1234 -31.1234 -30.8459 -30.8459 -30.8306 -30.8306 10.9074 10.9074 16.2916 16.2916 18.2376 18.2376 18.2626 18.2626 21.6776 21.6776 k = 0.3879-0.2743 0.4750 ( 671 PWs) bands (ev): -64.0976 -64.0976 -31.1246 -31.1246 -30.8468 -30.8468 -30.8325 -30.8325 11.1103 11.1103 16.2183 16.2183 18.1853 18.1853 18.2105 18.2105 21.4992 21.4992 k = 0.3925-0.2776 0.4807 ( 671 PWs) bands (ev): -64.0970 -64.0970 -31.1259 -31.1259 -30.8477 -30.8477 -30.8343 -30.8343 11.3142 11.3142 16.1479 16.1479 18.1352 18.1352 18.1606 18.1606 21.3195 21.3195 k = 0.3972-0.2809 0.4865 ( 663 PWs) bands (ev): -64.0963 -64.0963 -31.1270 -31.1270 -30.8484 -30.8484 -30.8360 -30.8360 11.5192 11.5192 16.0806 16.0806 18.0876 18.0876 18.1131 18.1131 21.1392 21.1392 k = 0.4019-0.2842 0.4922 ( 663 PWs) bands (ev): -64.0957 -64.0957 -31.1281 -31.1281 -30.8491 -30.8491 -30.8377 -30.8377 11.7249 11.7249 16.0163 16.0163 18.0418 18.0418 18.0675 18.0675 20.9571 20.9571 k = 0.4065-0.2875 0.4979 ( 671 PWs) bands (ev): -64.0952 -64.0952 -31.1292 -31.1292 -30.8499 -30.8499 -30.8394 -30.8394 11.9310 11.9310 15.9549 15.9549 17.9980 17.9980 18.0239 18.0239 20.7737 20.7737 k = 0.4112-0.2908 0.5036 ( 670 PWs) bands (ev): -64.0946 -64.0946 -31.1303 -31.1303 -30.8505 -30.8505 -30.8410 -30.8410 12.1379 12.1379 15.8966 15.8966 17.9566 17.9566 17.9827 17.9827 20.5893 20.5893 k = 0.4159-0.2941 0.5094 ( 670 PWs) bands (ev): -64.0941 -64.0941 -31.1312 -31.1312 -30.8511 -30.8511 -30.8424 -30.8424 12.3451 12.3451 15.8412 15.8412 17.9174 17.9174 17.9435 17.9435 20.4036 20.4036 k = 0.4206-0.2974 0.5151 ( 670 PWs) bands (ev): -64.0936 -64.0936 -31.1322 -31.1322 -30.8517 -30.8517 -30.8438 -30.8438 12.5525 12.5525 15.7888 15.7888 17.8803 17.8803 17.9066 17.9066 20.2169 20.2169 k = 0.4252-0.3007 0.5208 ( 678 PWs) bands (ev): -64.0932 -64.0932 -31.1331 -31.1331 -30.8523 -30.8523 -30.8452 -30.8452 12.7596 12.7596 15.7394 15.7394 17.8452 17.8452 17.8716 17.8716 20.0292 20.0292 k = 0.4299-0.3040 0.5265 ( 678 PWs) bands (ev): -64.0928 -64.0928 -31.1339 -31.1339 -30.8527 -30.8527 -30.8465 -30.8465 12.9667 12.9667 15.6931 15.6931 17.8124 17.8124 17.8389 17.8389 19.8408 19.8408 k = 0.4346-0.3073 0.5322 ( 678 PWs) bands (ev): -64.0924 -64.0924 -31.1347 -31.1347 -30.8532 -30.8532 -30.8477 -30.8477 13.1732 13.1732 15.6497 15.6497 17.7817 17.7817 17.8084 17.8084 19.6519 19.6519 k = 0.4393-0.3106 0.5380 ( 682 PWs) bands (ev): -64.0920 -64.0920 -31.1354 -31.1354 -30.8536 -30.8536 -30.8488 -30.8488 13.3784 13.3784 15.6093 15.6093 17.7531 17.7531 17.7799 17.7799 19.4628 19.4628 k = 0.4439-0.3139 0.5437 ( 682 PWs) bands (ev): -64.0917 -64.0917 -31.1361 -31.1361 -30.8540 -30.8540 -30.8498 -30.8498 13.5826 13.5826 15.5719 15.5719 17.7267 17.7267 17.7536 17.7536 19.2740 19.2740 k = 0.4486-0.3172 0.5494 ( 682 PWs) bands (ev): -64.0913 -64.0913 -31.1367 -31.1367 -30.8543 -30.8543 -30.8508 -30.8508 13.7848 13.7848 15.5374 15.5374 17.7024 17.7024 17.7295 17.7295 19.0860 19.0860 k = 0.4533-0.3205 0.5551 ( 682 PWs) bands (ev): -64.0910 -64.0910 -31.1373 -31.1373 -30.8546 -30.8546 -30.8517 -30.8517 13.9844 13.9844 15.5060 15.5060 17.6802 17.6802 17.7074 17.7074 18.8994 18.8994 k = 0.4579-0.3238 0.5609 ( 682 PWs) bands (ev): -64.0908 -64.0908 -31.1378 -31.1378 -30.8548 -30.8548 -30.8524 -30.8524 14.1804 14.1804 15.4776 15.4776 17.6602 17.6602 17.6875 17.6875 18.7152 18.7152 k = 0.4626-0.3271 0.5666 ( 682 PWs) bands (ev): -64.0905 -64.0905 -31.1382 -31.1382 -30.8551 -30.8551 -30.8532 -30.8532 14.3716 14.3716 15.4522 15.4522 17.6422 17.6422 17.6696 17.6696 18.5345 18.5345 k = 0.4673-0.3304 0.5723 ( 682 PWs) bands (ev): -64.0903 -64.0903 -31.1386 -31.1386 -30.8552 -30.8552 -30.8538 -30.8538 14.5563 14.5563 15.4297 15.4297 17.6263 17.6263 17.6539 17.6539 18.3592 18.3592 k = 0.4720-0.3337 0.5780 ( 682 PWs) bands (ev): -64.0901 -64.0901 -31.1390 -31.1390 -30.8554 -30.8554 -30.8543 -30.8543 14.7323 14.7323 15.4103 15.4103 17.6125 17.6125 17.6403 17.6403 18.1913 18.1913 k = 0.4766-0.3370 0.5838 ( 682 PWs) bands (ev): -64.0900 -64.0900 -31.1393 -31.1393 -30.8556 -30.8556 -30.8548 -30.8548 14.8966 14.8966 15.3938 15.3938 17.6007 17.6007 17.6287 17.6287 18.0339 18.0339 k = 0.4813-0.3403 0.5895 ( 682 PWs) bands (ev): -64.0899 -64.0899 -31.1395 -31.1395 -30.8557 -30.8557 -30.8552 -30.8552 15.0451 15.0451 15.3803 15.3803 17.5909 17.5909 17.6193 17.6193 17.8914 17.8914 k = 0.4860-0.3436 0.5952 ( 682 PWs) bands (ev): -64.0898 -64.0898 -31.1397 -31.1397 -30.8557 -30.8557 -30.8555 -30.8555 15.1721 15.1721 15.3699 15.3699 17.5827 17.5827 17.6120 17.6120 17.7694 17.7694 k = 0.4907-0.3469 0.6009 ( 682 PWs) bands (ev): -64.0897 -64.0897 -31.1398 -31.1398 -30.8558 -30.8558 -30.8557 -30.8557 15.2710 15.2710 15.3624 15.3624 17.5756 17.5756 17.6067 17.6067 17.6754 17.6754 k = 0.4953-0.3502 0.6066 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8558 -30.8558 -30.8558 -30.8558 15.3345 15.3345 15.3579 15.3579 17.5675 17.5675 17.6036 17.6036 17.6188 17.6188 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8559 -30.8559 -30.8559 -30.8559 15.3564 15.3564 15.3564 15.3564 17.5614 17.5614 17.6025 17.6025 17.6025 17.6025 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8559 -30.8559 -30.8559 -30.8559 15.3564 15.3564 15.3564 15.3564 17.5614 17.5614 17.6025 17.6025 17.6025 17.6025 k = 0.4934-0.3489 0.6124 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8559 -30.8559 -30.8558 -30.8558 15.3404 15.3404 15.3520 15.3520 17.5680 17.5680 17.6048 17.6048 17.6170 17.6170 k = 0.4868-0.3442 0.6124 ( 682 PWs) bands (ev): -64.0897 -64.0897 -31.1398 -31.1398 -30.8559 -30.8559 -30.8556 -30.8556 15.2941 15.2941 15.3390 15.3390 17.5791 17.5791 17.6121 17.6121 17.6668 17.6668 k = 0.4803-0.3396 0.6124 ( 682 PWs) bands (ev): -64.0898 -64.0898 -31.1397 -31.1397 -30.8559 -30.8559 -30.8553 -30.8553 15.2213 15.2213 15.3175 15.3175 17.5898 17.5898 17.6258 17.6258 17.7515 17.7515 k = 0.4737-0.3349 0.6124 ( 682 PWs) bands (ev): -64.0899 -64.0899 -31.1395 -31.1395 -30.8560 -30.8560 -30.8549 -30.8549 15.1273 15.1273 15.2880 15.2880 17.6003 17.6003 17.6469 17.6469 17.8644 17.8644 k = 0.4671-0.3303 0.6124 ( 682 PWs) bands (ev): -64.0900 -64.0900 -31.1393 -31.1393 -30.8560 -30.8560 -30.8544 -30.8544 15.0169 15.0169 15.2508 15.2508 17.6115 17.6115 17.6749 17.6749 17.9997 17.9997 k = 0.4605-0.3256 0.6124 ( 682 PWs) bands (ev): -64.0901 -64.0901 -31.1390 -31.1390 -30.8561 -30.8561 -30.8537 -30.8537 14.8946 14.8946 15.2064 15.2064 17.6240 17.6240 17.7091 17.7091 18.1529 18.1529 k = 0.4539-0.3210 0.6124 ( 682 PWs) bands (ev): -64.0903 -64.0903 -31.1387 -31.1387 -30.8561 -30.8561 -30.8529 -30.8529 14.7638 14.7638 15.1555 15.1555 17.6381 17.6381 17.7489 17.7489 18.3203 18.3203 k = 0.4474-0.3163 0.6124 ( 682 PWs) bands (ev): -64.0905 -64.0905 -31.1383 -31.1383 -30.8562 -30.8562 -30.8521 -30.8521 14.6270 14.6270 15.0985 15.0985 17.6542 17.6542 17.7936 17.7936 18.4993 18.4993 k = 0.4408-0.3117 0.6124 ( 682 PWs) bands (ev): -64.0908 -64.0908 -31.1379 -31.1379 -30.8563 -30.8563 -30.8510 -30.8510 14.4863 14.4863 15.0360 15.0360 17.6721 17.6721 17.8428 17.8428 18.6880 18.6880 k = 0.4342-0.3070 0.6124 ( 682 PWs) bands (ev): -64.0910 -64.0910 -31.1374 -31.1374 -30.8564 -30.8564 -30.8499 -30.8499 14.3431 14.3431 14.9686 14.9686 17.6921 17.6921 17.8961 17.8961 18.8848 18.8848 k = 0.4276-0.3024 0.6124 ( 682 PWs) bands (ev): -64.0913 -64.0913 -31.1369 -31.1369 -30.8565 -30.8565 -30.8487 -30.8487 14.1984 14.1984 14.8968 14.8968 17.7141 17.7141 17.9533 17.9533 19.0887 19.0887 k = 0.4211-0.2977 0.6124 ( 682 PWs) bands (ev): -64.0916 -64.0916 -31.1363 -31.1363 -30.8566 -30.8566 -30.8474 -30.8474 14.0532 14.0532 14.8209 14.8209 17.7381 17.7381 18.0139 18.0139 19.2988 19.2988 k = 0.4145-0.2931 0.6124 ( 676 PWs) bands (ev): -64.0919 -64.0919 -31.1357 -31.1357 -30.8566 -30.8566 -30.8458 -30.8458 13.9081 13.9081 14.7418 14.7418 17.7642 17.7642 18.0780 18.0780 19.5144 19.5144 k = 0.4079-0.2884 0.6124 ( 676 PWs) bands (ev): -64.0923 -64.0923 -31.1351 -31.1351 -30.8567 -30.8567 -30.8443 -30.8443 13.7634 13.7634 14.6592 14.6592 17.7924 17.7924 18.1450 18.1450 19.7352 19.7352 k = 0.4013-0.2838 0.6124 ( 676 PWs) bands (ev): -64.0927 -64.0927 -31.1345 -31.1345 -30.8568 -30.8568 -30.8426 -30.8426 13.6197 13.6197 14.5738 14.5738 17.8226 17.8226 18.2149 18.2149 19.9607 19.9607 k = 0.3947-0.2791 0.6124 ( 676 PWs) bands (ev): -64.0931 -64.0931 -31.1338 -31.1338 -30.8569 -30.8569 -30.8408 -30.8408 13.4772 13.4772 14.4860 14.4860 17.8549 17.8549 18.2877 18.2877 20.1905 20.1905 k = 0.3882-0.2745 0.6124 ( 672 PWs) bands (ev): -64.0935 -64.0935 -31.1331 -31.1331 -30.8569 -30.8569 -30.8389 -30.8389 13.3362 13.3362 14.3960 14.3960 17.8893 17.8893 18.3633 18.3633 20.4245 20.4245 k = 0.3816-0.2698 0.6124 ( 672 PWs) bands (ev): -64.0939 -64.0939 -31.1323 -31.1323 -30.8570 -30.8570 -30.8370 -30.8370 13.1967 13.1967 14.3041 14.3041 17.9257 17.9257 18.4415 18.4415 20.6625 20.6625 k = 0.3750-0.2652 0.6124 ( 672 PWs) bands (ev): -64.0944 -64.0944 -31.1316 -31.1316 -30.8571 -30.8571 -30.8349 -30.8349 13.0591 13.0591 14.2106 14.2106 17.9642 17.9642 18.5222 18.5222 20.9043 20.9043 k = 0.3684-0.2605 0.6124 ( 664 PWs) bands (ev): -64.0949 -64.0949 -31.1308 -31.1308 -30.8570 -30.8570 -30.8327 -30.8327 12.9236 12.9236 14.1158 14.1158 18.0050 18.0050 18.6058 18.6058 21.1498 21.1498 k = 0.3618-0.2559 0.6124 ( 664 PWs) bands (ev): -64.0954 -64.0954 -31.1300 -31.1300 -30.8571 -30.8571 -30.8304 -30.8304 12.7898 12.7898 14.0198 14.0198 18.0476 18.0476 18.6916 18.6916 21.3988 21.3988 k = 0.3553-0.2512 0.6124 ( 668 PWs) bands (ev): -64.0959 -64.0959 -31.1293 -31.1293 -30.8571 -30.8571 -30.8282 -30.8282 12.6581 12.6581 13.9228 13.9228 18.0922 18.0922 18.7798 18.7798 21.6511 21.6511 k = 0.3487-0.2466 0.6124 ( 668 PWs) bands (ev): -64.0965 -64.0965 -31.1286 -31.1286 -30.8571 -30.8571 -30.8258 -30.8258 12.5286 12.5286 13.8251 13.8251 18.1389 18.1389 18.8707 18.8707 21.9070 21.9070 k = 0.3421-0.2419 0.6124 ( 672 PWs) bands (ev): -64.0970 -64.0970 -31.1279 -31.1279 -30.8571 -30.8571 -30.8233 -30.8233 12.4013 12.4013 13.7268 13.7268 18.1875 18.1875 18.9640 18.9640 22.1659 22.1659 k = 0.3355-0.2373 0.6124 ( 672 PWs) bands (ev): -64.0976 -64.0976 -31.1271 -31.1271 -30.8570 -30.8570 -30.8208 -30.8208 12.2763 12.2763 13.6283 13.6283 18.2384 18.2384 19.0601 19.0601 22.4284 22.4284 k = 0.3289-0.2326 0.6124 ( 672 PWs) bands (ev): -64.0982 -64.0982 -31.1264 -31.1264 -30.8569 -30.8569 -30.8182 -30.8182 12.1535 12.1535 13.5296 13.5296 18.2913 18.2913 19.1586 19.1586 22.6940 22.6940 k = 0.3224-0.2279 0.6124 ( 672 PWs) bands (ev): -64.0988 -64.0988 -31.1256 -31.1256 -30.8568 -30.8568 -30.8155 -30.8155 12.0331 12.0331 13.4309 13.4309 18.3463 18.3463 19.2597 19.2597 22.9628 22.9628 k = 0.3158-0.2233 0.6124 ( 674 PWs) bands (ev): -64.0994 -64.0994 -31.1249 -31.1249 -30.8567 -30.8567 -30.8127 -30.8127 11.9151 11.9151 13.3323 13.3323 18.4033 18.4033 19.3633 19.3633 23.2345 23.2345 k = 0.3092-0.2186 0.6124 ( 674 PWs) bands (ev): -64.1000 -64.1000 -31.1243 -31.1243 -30.8565 -30.8565 -30.8099 -30.8099 11.7994 11.7994 13.2340 13.2340 18.4624 18.4624 19.4694 19.4694 23.5095 23.5095 k = 0.3026-0.2140 0.6124 ( 674 PWs) bands (ev): -64.1007 -64.1007 -31.1236 -31.1236 -30.8563 -30.8563 -30.8071 -30.8071 11.6861 11.6861 13.1362 13.1362 18.5235 18.5235 19.5782 19.5782 23.7876 23.7876 k = 0.2961-0.2093 0.6124 ( 674 PWs) bands (ev): -64.1013 -64.1013 -31.1229 -31.1229 -30.8560 -30.8560 -30.8042 -30.8042 11.5752 11.5752 13.0389 13.0389 18.5866 18.5866 19.6894 19.6894 24.0687 24.0687 k = 0.2895-0.2047 0.6124 ( 674 PWs) bands (ev): -64.1020 -64.1020 -31.1223 -31.1223 -30.8558 -30.8558 -30.8012 -30.8012 11.4668 11.4668 12.9422 12.9422 18.6518 18.6518 19.8033 19.8033 24.3527 24.3527 k = 0.2829-0.2000 0.6124 ( 670 PWs) bands (ev): -64.1026 -64.1026 -31.1217 -31.1217 -30.8554 -30.8554 -30.7982 -30.7982 11.3609 11.3609 12.8464 12.8464 18.7190 18.7190 19.9196 19.9196 24.6398 24.6398 k = 0.2763-0.1954 0.6124 ( 670 PWs) bands (ev): -64.1033 -64.1033 -31.1212 -31.1212 -30.8551 -30.8551 -30.7951 -30.7951 11.2573 11.2573 12.7515 12.7515 18.7882 18.7882 20.0386 20.0386 24.9298 24.9298 k = 0.2697-0.1907 0.6124 ( 672 PWs) bands (ev): -64.1040 -64.1040 -31.1207 -31.1207 -30.8547 -30.8547 -30.7921 -30.7921 11.1562 11.1562 12.6575 12.6575 18.8594 18.8594 20.1600 20.1600 25.2227 25.2227 k = 0.2632-0.1861 0.6124 ( 672 PWs) bands (ev): -64.1046 -64.1046 -31.1202 -31.1202 -30.8543 -30.8543 -30.7890 -30.7890 11.0576 11.0576 12.5647 12.5647 18.9325 18.9325 20.2840 20.2840 25.5184 25.5184 k = 0.2566-0.1814 0.6124 ( 662 PWs) bands (ev): -64.1053 -64.1053 -31.1196 -31.1196 -30.8537 -30.8537 -30.7859 -30.7859 10.9619 10.9619 12.4732 12.4732 19.0080 19.0080 20.4106 20.4106 25.8171 25.8171 k = 0.2500-0.1768 0.6124 ( 662 PWs) bands (ev): -64.1060 -64.1060 -31.1192 -31.1192 -30.8533 -30.8533 -30.7827 -30.7827 10.8682 10.8682 12.3829 12.3829 19.0850 19.0850 20.5397 20.5397 26.1185 26.1185 k = 0.2434-0.1721 0.6124 ( 662 PWs) bands (ev): -64.1066 -64.1066 -31.1188 -31.1188 -30.8527 -30.8527 -30.7796 -30.7796 10.7769 10.7769 12.2940 12.2940 19.1640 19.1640 20.6713 20.6713 26.4228 26.4228 k = 0.2368-0.1675 0.6124 ( 666 PWs) bands (ev): -64.1073 -64.1073 -31.1185 -31.1185 -30.8522 -30.8522 -30.7765 -30.7765 10.6882 10.6882 12.2065 12.2065 19.2443 19.2443 20.8053 20.8053 26.7297 26.7297 k = 0.2303-0.1628 0.6124 ( 666 PWs) bands (ev): -64.1080 -64.1080 -31.1182 -31.1182 -30.8517 -30.8517 -30.7734 -30.7734 10.6019 10.6019 12.1207 12.1207 19.3270 19.3270 20.9418 20.9418 27.0395 27.0395 k = 0.2237-0.1582 0.6124 ( 666 PWs) bands (ev): -64.1087 -64.1087 -31.1179 -31.1179 -30.8511 -30.8511 -30.7703 -30.7703 10.5180 10.5180 12.0365 12.0365 19.4116 19.4116 21.0808 21.0808 27.3519 27.3519 k = 0.2171-0.1535 0.6124 ( 664 PWs) bands (ev): -64.1093 -64.1093 -31.1177 -31.1177 -30.8504 -30.8504 -30.7672 -30.7672 10.4367 10.4367 11.9540 11.9540 19.4981 19.4981 21.2222 21.2222 27.6670 27.6670 k = 0.2105-0.1489 0.6124 ( 668 PWs) bands (ev): -64.1100 -64.1100 -31.1175 -31.1175 -30.8498 -30.8498 -30.7641 -30.7641 10.3577 10.3577 11.8733 11.8733 19.5863 19.5863 21.3659 21.3659 27.9842 27.9842 k = 0.2039-0.1442 0.6124 ( 668 PWs) bands (ev): -64.1107 -64.1107 -31.1174 -31.1174 -30.8491 -30.8491 -30.7611 -30.7611 10.2813 10.2813 11.7944 11.7944 19.6763 19.6763 21.5120 21.5120 28.3045 28.3045 k = 0.1974-0.1396 0.6124 ( 666 PWs) bands (ev): -64.1113 -64.1113 -31.1173 -31.1173 -30.8484 -30.8484 -30.7580 -30.7580 10.2073 10.2073 11.7175 11.7175 19.7679 19.7679 21.6605 21.6605 28.6273 28.6273 k = 0.1908-0.1349 0.6124 ( 666 PWs) bands (ev): -64.1119 -64.1119 -31.1172 -31.1172 -30.8477 -30.8477 -30.7550 -30.7550 10.1358 10.1358 11.6426 11.6426 19.8613 19.8613 21.8112 21.8112 28.9526 28.9526 k = 0.1842-0.1303 0.6124 ( 666 PWs) bands (ev): -64.1126 -64.1126 -31.1171 -31.1171 -30.8469 -30.8469 -30.7521 -30.7521 10.0668 10.0668 11.5697 11.5697 19.9562 19.9562 21.9641 21.9641 29.2803 29.2803 k = 0.1776-0.1256 0.6124 ( 666 PWs) bands (ev): -64.1132 -64.1132 -31.1171 -31.1171 -30.8462 -30.8462 -30.7492 -30.7492 10.0002 10.0002 11.4988 11.4988 20.0526 20.0526 22.1192 22.1192 29.6105 29.6105 k = 0.1711-0.1210 0.6124 ( 666 PWs) bands (ev): -64.1138 -64.1138 -31.1171 -31.1171 -30.8454 -30.8454 -30.7463 -30.7463 9.9361 9.9361 11.4302 11.4302 20.1504 20.1504 22.2763 22.2763 29.9428 29.9428 k = 0.1645-0.1163 0.6124 ( 660 PWs) bands (ev): -64.1143 -64.1143 -31.1171 -31.1171 -30.8446 -30.8446 -30.7435 -30.7435 9.8747 9.8747 11.3636 11.3636 20.2497 20.2497 22.4357 22.4357 30.2206 30.2206 k = 0.1579-0.1116 0.6124 ( 664 PWs) bands (ev): -64.1149 -64.1149 -31.1172 -31.1172 -30.8439 -30.8439 -30.7407 -30.7407 9.8153 9.8153 11.2994 11.2994 20.3500 20.3500 22.5968 22.5968 29.9934 29.9934 k = 0.1513-0.1070 0.6124 ( 664 PWs) bands (ev): -64.1155 -64.1155 -31.1173 -31.1173 -30.8431 -30.8431 -30.7381 -30.7381 9.7585 9.7585 11.2374 11.2374 20.4516 20.4516 22.7598 22.7598 29.7698 29.7698 k = 0.1447-0.1023 0.6124 ( 664 PWs) bands (ev): -64.1160 -64.1160 -31.1174 -31.1174 -30.8424 -30.8424 -30.7355 -30.7355 9.7041 9.7041 11.1778 11.1778 20.5542 20.5542 22.9245 22.9245 29.5502 29.5502 k = 0.1382-0.0977 0.6124 ( 664 PWs) bands (ev): -64.1166 -64.1166 -31.1175 -31.1175 -30.8416 -30.8416 -30.7329 -30.7329 9.6522 9.6522 11.1206 11.1206 20.6576 20.6576 23.0909 23.0909 29.3349 29.3349 k = 0.1316-0.0930 0.6124 ( 664 PWs) bands (ev): -64.1171 -64.1171 -31.1176 -31.1176 -30.8409 -30.8409 -30.7305 -30.7305 9.6028 9.6028 11.0657 11.0657 20.7618 20.7618 23.2587 23.2587 29.1241 29.1241 k = 0.1250-0.0884 0.6124 ( 666 PWs) bands (ev): -64.1176 -64.1176 -31.1178 -31.1178 -30.8401 -30.8401 -30.7282 -30.7282 9.5557 9.5557 11.0133 11.0133 20.8664 20.8664 23.4279 23.4279 28.9179 28.9179 k = 0.1184-0.0837 0.6124 ( 658 PWs) bands (ev): -64.1180 -64.1180 -31.1178 -31.1178 -30.8394 -30.8394 -30.7258 -30.7258 9.5113 9.5113 10.9635 10.9635 20.9712 20.9712 23.5984 23.5984 28.7176 28.7176 k = 0.1118-0.0791 0.6124 ( 658 PWs) bands (ev): -64.1185 -64.1185 -31.1180 -31.1180 -30.8387 -30.8387 -30.7236 -30.7236 9.4691 9.4691 10.9161 10.9161 21.0761 21.0761 23.7697 23.7697 28.5214 28.5214 k = 0.1053-0.0744 0.6124 ( 658 PWs) bands (ev): -64.1189 -64.1189 -31.1182 -31.1182 -30.8380 -30.8380 -30.7215 -30.7215 9.4293 9.4293 10.8713 10.8713 21.1806 21.1806 23.9416 23.9416 28.3308 28.3308 k = 0.0987-0.0698 0.6124 ( 666 PWs) bands (ev): -64.1193 -64.1193 -31.1184 -31.1184 -30.8374 -30.8374 -30.7196 -30.7196 9.3918 9.3918 10.8290 10.8290 21.2839 21.2839 24.1138 24.1138 28.1459 28.1459 k = 0.0921-0.0651 0.6124 ( 666 PWs) bands (ev): -64.1197 -64.1197 -31.1186 -31.1186 -30.8368 -30.8368 -30.7178 -30.7178 9.3569 9.3569 10.7893 10.7893 21.3867 21.3867 24.2861 24.2861 27.9673 27.9673 k = 0.0855-0.0605 0.6124 ( 666 PWs) bands (ev): -64.1201 -64.1201 -31.1187 -31.1187 -30.8362 -30.8362 -30.7160 -30.7160 9.3244 9.3244 10.7523 10.7523 21.4880 21.4880 24.4580 24.4580 27.7955 27.7955 k = 0.0789-0.0558 0.6124 ( 666 PWs) bands (ev): -64.1204 -64.1204 -31.1189 -31.1189 -30.8357 -30.8357 -30.7144 -30.7144 9.2943 9.2943 10.7179 10.7179 21.5871 21.5871 24.6288 24.6288 27.6310 27.6310 k = 0.0724-0.0512 0.6124 ( 666 PWs) bands (ev): -64.1207 -64.1207 -31.1191 -31.1191 -30.8351 -30.8351 -30.7129 -30.7129 9.2667 9.2667 10.6862 10.6862 21.6835 21.6835 24.7980 24.7980 27.4745 27.4745 k = 0.0658-0.0465 0.6124 ( 666 PWs) bands (ev): -64.1210 -64.1210 -31.1192 -31.1192 -30.8346 -30.8346 -30.7115 -30.7115 9.2414 9.2414 10.6572 10.6572 21.7765 21.7765 24.9647 24.9647 27.3265 27.3265 k = 0.0592-0.0419 0.6124 ( 666 PWs) bands (ev): -64.1212 -64.1212 -31.1193 -31.1193 -30.8342 -30.8342 -30.7102 -30.7102 9.2186 9.2186 10.6309 10.6309 21.8653 21.8653 25.1277 25.1277 27.1880 27.1880 k = 0.0526-0.0372 0.6124 ( 666 PWs) bands (ev): -64.1215 -64.1215 -31.1195 -31.1195 -30.8338 -30.8338 -30.7091 -30.7091 9.1982 9.1982 10.6074 10.6074 21.9490 21.9490 25.2858 25.2858 27.0599 27.0599 k = 0.0461-0.0326 0.6124 ( 666 PWs) bands (ev): -64.1217 -64.1217 -31.1196 -31.1196 -30.8334 -30.8334 -30.7081 -30.7081 9.1802 9.1802 10.5865 10.5865 22.0266 22.0266 25.4371 25.4371 26.9430 26.9430 k = 0.0395-0.0279 0.6124 ( 666 PWs) bands (ev): -64.1219 -64.1219 -31.1197 -31.1197 -30.8331 -30.8331 -30.7072 -30.7072 9.1646 9.1646 10.5685 10.5685 22.0970 22.0970 25.5795 25.5795 26.8386 26.8386 k = 0.0329-0.0233 0.6124 ( 666 PWs) bands (ev): -64.1220 -64.1220 -31.1198 -31.1198 -30.8329 -30.8329 -30.7064 -30.7064 9.1514 9.1514 10.5532 10.5532 22.1591 22.1591 25.7102 25.7102 26.7477 26.7477 k = 0.0263-0.0186 0.6124 ( 666 PWs) bands (ev): -64.1221 -64.1221 -31.1199 -31.1199 -30.8326 -30.8326 -30.7058 -30.7058 9.1406 9.1406 10.5406 10.5406 22.2119 22.2119 25.8258 25.8258 26.6714 26.6714 k = 0.0197-0.0140 0.6124 ( 666 PWs) bands (ev): -64.1222 -64.1222 -31.1199 -31.1199 -30.8325 -30.8325 -30.7053 -30.7053 9.1322 9.1322 10.5308 10.5308 22.2543 22.2543 25.9223 25.9223 26.6107 26.6107 k = 0.0132-0.0093 0.6124 ( 666 PWs) bands (ev): -64.1223 -64.1223 -31.1200 -31.1200 -30.8323 -30.8323 -30.7050 -30.7050 9.1262 9.1262 10.5239 10.5239 22.2853 22.2853 25.9955 25.9955 26.5667 26.5667 k = 0.0066-0.0047 0.6124 ( 670 PWs) bands (ev): -64.1224 -64.1224 -31.1201 -31.1201 -30.8323 -30.8323 -30.7048 -30.7048 9.1223 9.1223 10.5197 10.5197 22.3042 22.3042 26.0413 26.0413 26.5399 26.5399 k = 0.0000 0.0000 0.6124 ( 678 PWs) bands (ev): -64.1224 -64.1224 -31.1202 -31.1202 -30.8324 -30.8324 -30.7048 -30.7048 9.1209 9.1209 10.5183 10.5183 22.3103 22.3103 26.0566 26.0566 26.5305 26.5305 k = 0.0000 0.0000 0.6124 ( 678 PWs) bands (ev): -64.1224 -64.1224 -31.1202 -31.1202 -30.8324 -30.8324 -30.7048 -30.7048 9.1209 9.1209 10.5183 10.5183 22.3103 22.3103 26.0566 26.0566 26.5305 26.5305 k = 0.0000 0.0000 0.6043 ( 666 PWs) bands (ev): -64.1224 -64.1224 -31.1199 -31.1199 -30.8322 -30.8322 -30.7047 -30.7047 9.0936 9.0936 10.5482 10.5482 22.3120 22.3120 26.0580 26.0580 26.5317 26.5317 k = 0.0000 0.0000 0.5963 ( 666 PWs) bands (ev): -64.1224 -64.1224 -31.1197 -31.1197 -30.8320 -30.8320 -30.7047 -30.7047 9.0165 9.0165 10.6319 10.6319 22.3163 22.3163 26.0611 26.0611 26.5335 26.5335 k = 0.0000 0.0000 0.5882 ( 666 PWs) bands (ev): -64.1225 -64.1225 -31.1192 -31.1192 -30.8318 -30.8318 -30.7046 -30.7046 8.9033 8.9033 10.7560 10.7560 22.3235 22.3235 26.0663 26.0663 26.5367 26.5367 k = 0.0000 0.0000 0.5801 ( 666 PWs) bands (ev): -64.1227 -64.1227 -31.1187 -31.1187 -30.8314 -30.8314 -30.7046 -30.7046 8.7668 8.7668 10.9079 10.9079 22.3336 22.3336 26.0736 26.0736 26.5411 26.5411 k = 0.0000 0.0000 0.5721 ( 666 PWs) bands (ev): -64.1229 -64.1229 -31.1179 -31.1179 -30.8309 -30.8309 -30.7045 -30.7045 8.6158 8.6158 11.0786 11.0786 22.3465 22.3465 26.0830 26.0830 26.5468 26.5468 k = 0.0000 0.0000 0.5640 ( 666 PWs) bands (ev): -64.1231 -64.1231 -31.1170 -31.1170 -30.8304 -30.8304 -30.7044 -30.7044 8.4562 8.4562 11.2624 11.2624 22.3623 22.3623 26.0945 26.0945 26.5537 26.5537 k = 0.0000 0.0000 0.5560 ( 666 PWs) bands (ev): -64.1233 -64.1233 -31.1159 -31.1159 -30.8297 -30.8297 -30.7042 -30.7042 8.2914 8.2914 11.4557 11.4557 22.3810 22.3810 26.1080 26.1080 26.5619 26.5619 k = 0.0000 0.0000 0.5479 ( 666 PWs) bands (ev): -64.1236 -64.1236 -31.1147 -31.1147 -30.8289 -30.8289 -30.7041 -30.7041 8.1238 8.1238 11.6563 11.6563 22.4026 22.4026 26.1237 26.1237 26.5714 26.5714 k = 0.0000 0.0000 0.5399 ( 666 PWs) bands (ev): -64.1240 -64.1240 -31.1133 -31.1133 -30.8280 -30.8280 -30.7039 -30.7039 7.9547 7.9547 11.8627 11.8627 22.4270 22.4270 26.1415 26.1415 26.5822 26.5822 k = 0.0000 0.0000 0.5318 ( 658 PWs) bands (ev): -64.1243 -64.1243 -31.1117 -31.1117 -30.8270 -30.8270 -30.7036 -30.7036 7.7855 7.7855 12.0740 12.0740 22.4544 22.4544 26.1615 26.1615 26.5944 26.5944 k = 0.0000 0.0000 0.5237 ( 658 PWs) bands (ev): -64.1247 -64.1247 -31.1100 -31.1100 -30.8259 -30.8259 -30.7034 -30.7034 7.6162 7.6162 12.2895 12.2895 22.4846 22.4846 26.1834 26.1834 26.6076 26.6076 k = 0.0000 0.0000 0.5157 ( 658 PWs) bands (ev): -64.1251 -64.1251 -31.1082 -31.1082 -30.8247 -30.8247 -30.7032 -30.7032 7.4476 7.4476 12.5086 12.5086 22.5176 22.5176 26.2075 26.2075 26.6221 26.6221 k = 0.0000 0.0000 0.5076 ( 662 PWs) bands (ev): -64.1256 -64.1256 -31.1063 -31.1063 -30.8235 -30.8235 -30.7030 -30.7030 7.2801 7.2801 12.7312 12.7312 22.5535 22.5535 26.2336 26.2336 26.6371 26.6371 k = 0.0000 0.0000 0.4996 ( 662 PWs) bands (ev): -64.1261 -64.1261 -31.1042 -31.1042 -30.8221 -30.8221 -30.7027 -30.7027 7.1139 7.1139 12.9568 12.9568 22.5922 22.5922 26.2619 26.2619 26.6541 26.6541 k = 0.0000 0.0000 0.4915 ( 662 PWs) bands (ev): -64.1267 -64.1267 -31.1020 -31.1020 -30.8206 -30.8206 -30.7024 -30.7024 6.9493 6.9493 13.1854 13.1854 22.6339 22.6339 26.2924 26.2924 26.6723 26.6723 k = 0.0000 0.0000 0.4835 ( 662 PWs) bands (ev): -64.1272 -64.1272 -31.0997 -31.0997 -30.8190 -30.8190 -30.7021 -30.7021 6.7863 6.7863 13.4169 13.4169 22.6783 22.6783 26.3249 26.3249 26.6918 26.6918 k = 0.0000 0.0000 0.4754 ( 664 PWs) bands (ev): -64.1278 -64.1278 -31.0972 -31.0972 -30.8174 -30.8174 -30.7017 -30.7017 6.6251 6.6251 13.6508 13.6508 22.7257 22.7257 26.3595 26.3595 26.7125 26.7125 k = 0.0000 0.0000 0.4673 ( 662 PWs) bands (ev): -64.1285 -64.1285 -31.0946 -31.0946 -30.8156 -30.8156 -30.7014 -30.7014 6.4659 6.4659 13.8875 13.8875 22.7759 22.7759 26.3963 26.3963 26.7345 26.7345 k = 0.0000 0.0000 0.4593 ( 662 PWs) bands (ev): -64.1291 -64.1291 -31.0920 -31.0920 -30.8137 -30.8137 -30.7010 -30.7010 6.3087 6.3087 14.1266 14.1266 22.8289 22.8289 26.4353 26.4353 26.7578 26.7578 k = 0.0000 0.0000 0.4512 ( 658 PWs) bands (ev): -64.1298 -64.1298 -31.0892 -31.0892 -30.8117 -30.8117 -30.7006 -30.7006 6.1535 6.1535 14.3684 14.3684 22.8849 22.8849 26.4765 26.4765 26.7825 26.7825 k = 0.0000 0.0000 0.4432 ( 658 PWs) bands (ev): -64.1305 -64.1305 -31.0863 -31.0863 -30.8096 -30.8096 -30.7002 -30.7002 6.0004 6.0004 14.6124 14.6124 22.9436 22.9436 26.5198 26.5198 26.8082 26.8082 k = 0.0000 0.0000 0.4351 ( 662 PWs) bands (ev): -64.1313 -64.1313 -31.0834 -31.0834 -30.8075 -30.8075 -30.6998 -30.6998 5.8494 5.8494 14.8587 14.8587 23.0051 23.0051 26.5650 26.5650 26.8343 26.8343 k = 0.0000 0.0000 0.4270 ( 662 PWs) bands (ev): -64.1320 -64.1320 -31.0804 -31.0804 -30.8053 -30.8053 -30.6993 -30.6993 5.7007 5.7007 15.1074 15.1074 23.0694 23.0694 26.6126 26.6126 26.8624 26.8624 k = 0.0000 0.0000 0.4190 ( 662 PWs) bands (ev): -64.1328 -64.1328 -31.0773 -31.0773 -30.8030 -30.8030 -30.6988 -30.6988 5.5543 5.5543 15.3585 15.3585 23.1365 23.1365 26.6624 26.6624 26.8916 26.8916 k = 0.0000 0.0000 0.4109 ( 662 PWs) bands (ev): -64.1336 -64.1336 -31.0741 -31.0741 -30.8006 -30.8006 -30.6984 -30.6984 5.4102 5.4102 15.6118 15.6118 23.2065 23.2065 26.7143 26.7143 26.9221 26.9221 k = 0.0000 0.0000 0.4029 ( 662 PWs) bands (ev): -64.1345 -64.1345 -31.0709 -31.0709 -30.7981 -30.7981 -30.6979 -30.6979 5.2684 5.2684 15.8674 15.8674 23.2792 23.2792 26.7685 26.7685 26.9537 26.9537 k = 0.0000 0.0000 0.3948 ( 662 PWs) bands (ev): -64.1353 -64.1353 -31.0677 -31.0677 -30.7955 -30.7955 -30.6974 -30.6974 5.1290 5.1290 16.1253 16.1253 23.3548 23.3548 26.8248 26.8248 26.9865 26.9865 k = 0.0000 0.0000 0.3868 ( 662 PWs) bands (ev): -64.1362 -64.1362 -31.0644 -31.0644 -30.7929 -30.7929 -30.6968 -30.6968 4.9920 4.9920 16.3854 16.3854 23.4331 23.4331 26.8832 26.8832 27.0204 27.0204 k = 0.0000 0.0000 0.3787 ( 662 PWs) bands (ev): -64.1371 -64.1371 -31.0610 -31.0610 -30.7902 -30.7902 -30.6963 -30.6963 4.8573 4.8573 16.6476 16.6476 23.5142 23.5142 26.9439 26.9439 27.0556 27.0556 k = 0.0000 0.0000 0.3706 ( 660 PWs) bands (ev): -64.1379 -64.1379 -31.0577 -31.0577 -30.7874 -30.7874 -30.6957 -30.6957 4.7252 4.7252 16.9122 16.9122 23.5980 23.5980 27.0067 27.0067 27.0919 27.0919 k = 0.0000 0.0000 0.3626 ( 660 PWs) bands (ev): -64.1389 -64.1389 -31.0543 -31.0543 -30.7845 -30.7845 -30.6951 -30.6951 4.5955 4.5955 17.1789 17.1789 23.6846 23.6846 27.0714 27.0714 27.1295 27.1295 k = 0.0000 0.0000 0.3545 ( 666 PWs) bands (ev): -64.1398 -64.1398 -31.0509 -31.0509 -30.7817 -30.7817 -30.6946 -30.6946 4.4683 4.4683 17.4477 17.4477 23.7739 23.7739 27.1370 27.1370 27.1683 27.1683 k = 0.0000 0.0000 0.3465 ( 666 PWs) bands (ev): -64.1407 -64.1407 -31.0475 -31.0475 -30.7787 -30.7787 -30.6941 -30.6941 4.3436 4.3436 17.7187 17.7187 23.8659 23.8659 27.1982 27.1982 27.2161 27.2161 k = 0.0000 0.0000 0.3384 ( 664 PWs) bands (ev): -64.1417 -64.1417 -31.0441 -31.0441 -30.7756 -30.7756 -30.6934 -30.6934 4.2215 4.2215 17.9919 17.9919 23.9607 23.9607 27.2434 27.2434 27.2831 27.2831 k = 0.0000 0.0000 0.3304 ( 664 PWs) bands (ev): -64.1426 -64.1426 -31.0407 -31.0407 -30.7725 -30.7725 -30.6928 -30.6928 4.1019 4.1019 18.2672 18.2672 24.0581 24.0581 27.2856 27.2856 27.3563 27.3563 k = 0.0000 0.0000 0.3223 ( 664 PWs) bands (ev): -64.1435 -64.1435 -31.0374 -31.0374 -30.7694 -30.7694 -30.6922 -30.6922 3.9849 3.9849 18.5446 18.5446 24.1582 24.1582 27.3283 27.3283 27.4323 27.4323 k = 0.0000 0.0000 0.3142 ( 656 PWs) bands (ev): -64.1445 -64.1445 -31.0339 -31.0339 -30.7661 -30.7661 -30.6915 -30.6915 3.8706 3.8706 18.8243 18.8243 24.2610 24.2610 27.3718 27.3718 27.5108 27.5108 k = 0.0000 0.0000 0.3062 ( 656 PWs) bands (ev): -64.1454 -64.1454 -31.0306 -31.0306 -30.7629 -30.7629 -30.6909 -30.6909 3.7588 3.7588 19.1059 19.1059 24.3664 24.3664 27.4161 27.4161 27.5915 27.5915 k = 0.0000 0.0000 0.2981 ( 660 PWs) bands (ev): -64.1464 -64.1464 -31.0274 -31.0274 -30.7596 -30.7596 -30.6902 -30.6902 3.6496 3.6496 19.3890 19.3890 24.4743 24.4743 27.4611 27.4611 27.6745 27.6745 k = 0.0000 0.0000 0.2901 ( 660 PWs) bands (ev): -64.1473 -64.1473 -31.0242 -31.0242 -30.7563 -30.7563 -30.6896 -30.6896 3.5432 3.5432 19.6747 19.6747 24.5849 24.5849 27.5069 27.5069 27.7597 27.7597 k = 0.0000 0.0000 0.2820 ( 660 PWs) bands (ev): -64.1483 -64.1483 -31.0210 -31.0210 -30.7530 -30.7530 -30.6889 -30.6889 3.4394 3.4394 19.9625 19.9625 24.6979 24.6979 27.5536 27.5536 27.8473 27.8473 k = 0.0000 0.0000 0.2740 ( 660 PWs) bands (ev): -64.1492 -64.1492 -31.0178 -31.0178 -30.7497 -30.7497 -30.6883 -30.6883 3.3383 3.3383 20.2522 20.2522 24.8135 24.8135 27.6009 27.6009 27.9371 27.9371 k = 0.0000 0.0000 0.2659 ( 654 PWs) bands (ev): -64.1501 -64.1501 -31.0147 -31.0147 -30.7463 -30.7463 -30.6876 -30.6876 3.2400 3.2400 20.5440 20.5440 24.9316 24.9316 27.6489 27.6489 28.0291 28.0291 k = 0.0000 0.0000 0.2578 ( 654 PWs) bands (ev): -64.1511 -64.1511 -31.0116 -31.0116 -30.7429 -30.7429 -30.6869 -30.6869 3.1444 3.1444 20.8377 20.8377 25.0521 25.0521 27.6975 27.6975 28.1234 28.1234 k = 0.0000 0.0000 0.2498 ( 654 PWs) bands (ev): -64.1520 -64.1520 -31.0087 -31.0087 -30.7395 -30.7395 -30.6863 -30.6863 3.0515 3.0515 21.1333 21.1333 25.1749 25.1749 27.7467 27.7467 28.2199 28.2199 k = 0.0000 0.0000 0.2417 ( 654 PWs) bands (ev): -64.1529 -64.1529 -31.0058 -31.0058 -30.7362 -30.7362 -30.6856 -30.6856 2.9614 2.9614 21.4307 21.4307 25.3001 25.3001 27.7963 27.7963 28.3187 28.3187 k = 0.0000 0.0000 0.2337 ( 650 PWs) bands (ev): -64.1538 -64.1538 -31.0029 -31.0029 -30.7328 -30.7328 -30.6850 -30.6850 2.8741 2.8741 21.7299 21.7299 25.4276 25.4276 27.8463 27.8463 28.4197 28.4197 k = 0.0000 0.0000 0.2256 ( 650 PWs) bands (ev): -64.1547 -64.1547 -31.0002 -31.0002 -30.7295 -30.7295 -30.6843 -30.6843 2.7895 2.7895 22.0309 22.0309 25.5572 25.5572 27.8966 27.8966 28.5228 28.5228 k = 0.0000 0.0000 0.2176 ( 650 PWs) bands (ev): -64.1555 -64.1555 -30.9976 -30.9976 -30.7262 -30.7262 -30.6837 -30.6837 2.7078 2.7078 22.3335 22.3335 25.6890 25.6890 27.9472 27.9472 28.6282 28.6282 k = 0.0000 0.0000 0.2095 ( 649 PWs) bands (ev): -64.1564 -64.1564 -30.9950 -30.9950 -30.7229 -30.7229 -30.6830 -30.6830 2.6290 2.6290 22.6376 22.6376 25.8228 25.8228 27.9979 27.9979 28.7357 28.7357 k = 0.0000 0.0000 0.2014 ( 649 PWs) bands (ev): -64.1572 -64.1572 -30.9925 -30.9925 -30.7197 -30.7197 -30.6824 -30.6824 2.5529 2.5529 22.9432 22.9432 25.9586 25.9586 28.0486 28.0486 28.8454 28.8454 k = 0.0000 0.0000 0.1934 ( 649 PWs) bands (ev): -64.1580 -64.1580 -30.9901 -30.9901 -30.7165 -30.7165 -30.6818 -30.6818 2.4798 2.4798 23.2501 23.2501 26.0962 26.0962 28.0992 28.0992 28.9571 28.9571 k = 0.0000 0.0000 0.1853 ( 653 PWs) bands (ev): -64.1588 -64.1588 -30.9878 -30.9878 -30.7135 -30.7135 -30.6812 -30.6812 2.4094 2.4094 23.5578 23.5578 26.2354 26.2354 28.1494 28.1494 29.0707 29.0707 k = 0.0000 0.0000 0.1773 ( 653 PWs) bands (ev): -64.1596 -64.1596 -30.9856 -30.9856 -30.7105 -30.7105 -30.6806 -30.6806 2.3420 2.3420 23.8668 23.8668 26.3763 26.3763 28.1995 28.1995 29.1866 29.1866 k = 0.0000 0.0000 0.1692 ( 653 PWs) bands (ev): -64.1603 -64.1603 -30.9835 -30.9835 -30.7075 -30.7075 -30.6800 -30.6800 2.2775 2.2775 24.1767 24.1767 26.5186 26.5186 28.2492 28.2492 29.3044 29.3044 k = 0.0000 0.0000 0.1612 ( 653 PWs) bands (ev): -64.1610 -64.1610 -30.9814 -30.9814 -30.7046 -30.7046 -30.6795 -30.6795 2.2159 2.2159 24.4869 24.4869 26.6621 26.6621 28.2982 28.2982 29.4242 29.4242 k = 0.0000 0.0000 0.1531 ( 657 PWs) bands (ev): -64.1617 -64.1617 -30.9796 -30.9796 -30.7019 -30.7019 -30.6790 -30.6790 2.1572 2.1572 24.7974 24.7974 26.8063 26.8063 28.3459 28.3459 29.5457 29.5457 k = 0.0000 0.0000 0.1450 ( 657 PWs) bands (ev): -64.1624 -64.1624 -30.9777 -30.9777 -30.6992 -30.6992 -30.6785 -30.6785 2.1015 2.1015 25.1075 25.1075 26.9515 26.9515 28.3934 28.3934 29.6691 29.6691 k = 0.0000 0.0000 0.1370 ( 657 PWs) bands (ev): -64.1630 -64.1630 -30.9760 -30.9760 -30.6966 -30.6966 -30.6780 -30.6780 2.0487 2.0487 25.4169 25.4169 27.0971 27.0971 28.4398 28.4398 29.7941 29.7941 k = 0.0000 0.0000 0.1289 ( 657 PWs) bands (ev): -64.1636 -64.1636 -30.9743 -30.9743 -30.6941 -30.6941 -30.6775 -30.6775 1.9989 1.9989 25.7248 25.7248 27.2428 27.2428 28.4849 28.4849 29.9206 29.9206 k = 0.0000 0.0000 0.1209 ( 657 PWs) bands (ev): -64.1642 -64.1642 -30.9728 -30.9728 -30.6917 -30.6917 -30.6770 -30.6770 1.9520 1.9520 26.0304 26.0304 27.3882 27.3882 28.5286 28.5286 30.0484 30.0484 k = 0.0000 0.0000 0.1128 ( 655 PWs) bands (ev): -64.1647 -64.1647 -30.9713 -30.9713 -30.6895 -30.6895 -30.6766 -30.6766 1.9081 1.9081 26.3328 26.3328 27.5327 27.5327 28.5708 28.5708 30.1774 30.1774 k = 0.0000 0.0000 0.1047 ( 659 PWs) bands (ev): -64.1652 -64.1652 -30.9700 -30.9700 -30.6874 -30.6874 -30.6762 -30.6762 1.8672 1.8672 26.6304 26.6304 27.6758 27.6758 28.6112 28.6112 30.3069 30.3069 k = 0.0000 0.0000 0.0967 ( 659 PWs) bands (ev): -64.1657 -64.1657 -30.9688 -30.9688 -30.6854 -30.6854 -30.6759 -30.6759 1.8293 1.8293 26.9217 26.9217 27.8168 27.8168 28.6495 28.6495 30.4373 30.4374 k = 0.0000 0.0000 0.0886 ( 659 PWs) bands (ev): -64.1661 -64.1661 -30.9676 -30.9676 -30.6835 -30.6835 -30.6755 -30.6755 1.7944 1.7944 27.2045 27.2045 27.9550 27.9550 28.6857 28.6857 30.4970 30.4970 k = 0.0000 0.0000 0.0806 ( 663 PWs) bands (ev): -64.1665 -64.1665 -30.9666 -30.9666 -30.6819 -30.6819 -30.6752 -30.6752 1.7625 1.7625 27.4761 27.4761 28.0892 28.0892 28.7189 28.7189 30.5441 30.5441 k = 0.0000 0.0000 0.0725 ( 663 PWs) bands (ev): -64.1669 -64.1669 -30.9657 -30.9657 -30.6803 -30.6803 -30.6749 -30.6749 1.7336 1.7336 27.7333 27.7333 28.2185 28.2185 28.7502 28.7502 30.6044 30.6044 k = 0.0000 0.0000 0.0645 ( 667 PWs) bands (ev): -64.1672 -64.1672 -30.9649 -30.9649 -30.6789 -30.6789 -30.6747 -30.6747 1.7078 1.7078 27.9721 27.9721 28.3413 28.3413 28.7786 28.7786 30.6804 30.6804 k = 0.0000 0.0000 0.0564 ( 667 PWs) bands (ev): -64.1675 -64.1675 -30.9641 -30.9641 -30.6777 -30.6777 -30.6744 -30.6744 1.6849 1.6849 28.1886 28.1886 28.4565 28.4565 28.8043 28.8043 30.7748 30.7748 k = 0.0000 0.0000 0.0483 ( 667 PWs) bands (ev): -64.1678 -64.1678 -30.9635 -30.9635 -30.6766 -30.6766 -30.6742 -30.6742 1.6652 1.6652 28.3788 28.3788 28.5622 28.5622 28.8269 28.8269 30.8892 30.8892 k = 0.0000 0.0000 0.0403 ( 671 PWs) bands (ev): -64.1680 -64.1680 -30.9630 -30.9630 -30.6757 -30.6757 -30.6741 -30.6741 1.6484 1.6484 28.5396 28.5396 28.6564 28.6564 28.8460 28.8460 31.0231 31.0231 k = 0.0000 0.0000 0.0322 ( 675 PWs) bands (ev): -64.1682 -64.1682 -30.9626 -30.9626 -30.6750 -30.6750 -30.6739 -30.6739 1.6347 1.6347 28.6690 28.6690 28.7373 28.7373 28.8621 28.8621 31.1726 31.1726 k = 0.0000 0.0000 0.0242 ( 675 PWs) bands (ev): -64.1683 -64.1683 -30.9622 -30.9622 -30.6744 -30.6744 -30.6738 -30.6738 1.6240 1.6240 28.7681 28.7681 28.8030 28.8030 28.8747 28.8747 31.3288 31.3288 k = 0.0000 0.0000 0.0161 ( 675 PWs) bands (ev): -64.1684 -64.1684 -30.9620 -30.9620 -30.6740 -30.6740 -30.6737 -30.6737 1.6164 1.6164 28.8371 28.8371 28.8514 28.8514 28.8838 28.8838 31.4748 31.4748 k = 0.0000 0.0000 0.0081 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6738 -30.6738 -30.6737 -30.6737 1.6118 1.6118 28.8778 28.8778 28.8811 28.8811 28.8893 28.8893 31.5844 31.5844 k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6737 -30.6737 -30.6737 -30.6737 1.6103 1.6103 28.8911 28.8911 28.8911 28.8911 28.8911 28.8911 31.6262 31.6262 k = 0.0000 0.0000 0.0000 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6737 -30.6737 -30.6737 -30.6737 1.6103 1.6103 28.8911 28.8911 28.8911 28.8911 28.8911 28.8911 31.6262 31.6262 k = 0.0027 0.0038 0.0066 ( 675 PWs) bands (ev): -64.1685 -64.1685 -30.9618 -30.9618 -30.6738 -30.6738 -30.6737 -30.6737 1.6118 1.6118 28.8799 28.8799 28.8800 28.8800 28.8882 28.8882 31.5976 31.5976 k = 0.0054 0.0076 0.0132 ( 675 PWs) bands (ev): -64.1684 -64.1684 -30.9620 -30.9620 -30.6740 -30.6740 -30.6737 -30.6737 1.6164 1.6164 28.8461 28.8461 28.8462 28.8462 28.8794 28.8794 31.5209 31.5209 k = 0.0081 0.0114 0.0198 ( 675 PWs) bands (ev): -64.1683 -64.1683 -30.9622 -30.9622 -30.6745 -30.6745 -30.6738 -30.6738 1.6240 1.6240 28.7890 28.7890 28.7891 28.7891 28.8647 28.8647 31.4153 31.4154 k = 0.0108 0.0152 0.0263 ( 675 PWs) bands (ev): -64.1682 -64.1682 -30.9626 -30.9626 -30.6751 -30.6751 -30.6739 -30.6739 1.6347 1.6347 28.7079 28.7079 28.7081 28.7081 28.8443 28.8443 31.2994 31.2995 k = 0.0134 0.0190 0.0329 ( 669 PWs) bands (ev): -64.1680 -64.1680 -30.9630 -30.9630 -30.6758 -30.6758 -30.6740 -30.6740 1.6485 1.6485 28.6024 28.6024 28.6028 28.6028 28.8187 28.8187 31.1864 31.1866 k = 0.0161 0.0228 0.0395 ( 669 PWs) bands (ev): -64.1678 -64.1678 -30.9635 -30.9635 -30.6768 -30.6768 -30.6741 -30.6741 1.6652 1.6652 28.4726 28.4726 28.4731 28.4731 28.7867 28.7867 31.0843 31.0844 k = 0.0188 0.0266 0.0461 ( 663 PWs) bands (ev): -64.1675 -64.1675 -30.9641 -30.9641 -30.6778 -30.6778 -30.6742 -30.6742 1.6851 1.6851 28.3200 28.3200 28.3207 28.3207 28.7493 28.7493 30.9973 30.9976 k = 0.0215 0.0304 0.0527 ( 663 PWs) bands (ev): -64.1672 -64.1672 -30.9649 -30.9649 -30.6791 -30.6791 -30.6744 -30.6744 1.7079 1.7079 28.1460 28.1460 28.1468 28.1468 28.7060 28.7060 30.9269 30.9271 k = 0.0242 0.0342 0.0593 ( 663 PWs) bands (ev): -64.1669 -64.1669 -30.9657 -30.9657 -30.6806 -30.6806 -30.6746 -30.6746 1.7338 1.7338 27.9534 27.9534 27.9545 27.9545 28.6572 28.6572 30.8731 30.8733 k = 0.0269 0.0380 0.0658 ( 663 PWs) bands (ev): -64.1665 -64.1665 -30.9667 -30.9667 -30.6822 -30.6822 -30.6748 -30.6748 1.7628 1.7628 27.7452 27.7452 27.7465 27.7465 28.6029 28.6029 30.8344 30.8346 k = 0.0296 0.0418 0.0724 ( 663 PWs) bands (ev): -64.1661 -64.1661 -30.9677 -30.9677 -30.6840 -30.6840 -30.6751 -30.6751 1.7947 1.7947 27.5242 27.5242 27.5256 27.5256 28.5432 28.5432 30.8096 30.8097 k = 0.0323 0.0456 0.0790 ( 664 PWs) bands (ev): -64.1657 -64.1657 -30.9689 -30.9689 -30.6859 -30.6859 -30.6754 -30.6754 1.8297 1.8297 27.2929 27.2929 27.2946 27.2946 28.4782 28.4782 30.7965 30.7967 k = 0.0349 0.0494 0.0856 ( 658 PWs) bands (ev): -64.1652 -64.1652 -30.9701 -30.9701 -30.6879 -30.6879 -30.6756 -30.6756 1.8677 1.8677 27.0540 27.0540 27.0559 27.0559 28.4081 28.4081 30.7943 30.7944 k = 0.0376 0.0532 0.0922 ( 658 PWs) bands (ev): -64.1647 -64.1647 -30.9714 -30.9714 -30.6900 -30.6900 -30.6760 -30.6760 1.9086 1.9086 26.8088 26.8088 26.8109 26.8109 28.3330 28.3330 30.8009 30.8010 k = 0.0403 0.0570 0.0988 ( 658 PWs) bands (ev): -64.1642 -64.1642 -30.9729 -30.9729 -30.6923 -30.6923 -30.6764 -30.6764 1.9526 1.9526 26.5590 26.5590 26.5614 26.5614 28.2529 28.2529 30.8155 30.8156 k = 0.0430 0.0608 0.1054 ( 658 PWs) bands (ev): -64.1636 -64.1636 -30.9745 -30.9745 -30.6947 -30.6947 -30.6768 -30.6768 1.9995 1.9995 26.3061 26.3061 26.3086 26.3086 28.1680 28.1680 30.8370 30.8371 k = 0.0457 0.0646 0.1119 ( 658 PWs) bands (ev): -64.1630 -64.1630 -30.9761 -30.9761 -30.6972 -30.6972 -30.6772 -30.6772 2.0495 2.0495 26.0509 26.0509 26.0536 26.0536 28.0785 28.0785 30.8647 30.8648 k = 0.0484 0.0684 0.1185 ( 658 PWs) bands (ev): -64.1624 -64.1624 -30.9779 -30.9779 -30.6998 -30.6998 -30.6776 -30.6776 2.1023 2.1023 25.7943 25.7943 25.7973 25.7973 27.9844 27.9844 30.8982 30.8982 k = 0.0511 0.0722 0.1251 ( 658 PWs) bands (ev): -64.1617 -64.1617 -30.9797 -30.9797 -30.7025 -30.7025 -30.6781 -30.6781 2.1582 2.1582 25.5371 25.5371 25.5402 25.5402 27.8861 27.8861 30.9368 30.9369 k = 0.0538 0.0760 0.1317 ( 658 PWs) bands (ev): -64.1611 -64.1611 -30.9817 -30.9817 -30.7053 -30.7053 -30.6786 -30.6786 2.2169 2.2169 25.2796 25.2796 25.2830 25.2830 27.7835 27.7835 30.9802 30.9803 k = 0.0565 0.0798 0.1383 ( 658 PWs) bands (ev): -64.1604 -64.1604 -30.9838 -30.9838 -30.7081 -30.7081 -30.6792 -30.6792 2.2786 2.2786 25.0225 25.0225 25.0261 25.0261 27.6769 27.6769 31.0281 31.0281 k = 0.0591 0.0836 0.1449 ( 658 PWs) bands (ev): -64.1596 -64.1596 -30.9859 -30.9859 -30.7110 -30.7110 -30.6798 -30.6798 2.3433 2.3433 24.7661 24.7661 24.7698 24.7698 27.5664 27.5664 31.0801 31.0802 k = 0.0618 0.0874 0.1514 ( 652 PWs) bands (ev): -64.1588 -64.1588 -30.9881 -30.9881 -30.7139 -30.7139 -30.6803 -30.6803 2.4108 2.4108 24.5107 24.5107 24.5147 24.5147 27.4522 27.4522 31.1366 31.1367 k = 0.0645 0.0912 0.1580 ( 649 PWs) bands (ev): -64.1581 -64.1581 -30.9904 -30.9904 -30.7169 -30.7169 -30.6809 -30.6809 2.4813 2.4813 24.2566 24.2566 24.2607 24.2607 27.3353 27.3353 31.1965 31.1966 k = 0.0672 0.0950 0.1646 ( 649 PWs) bands (ev): -64.1573 -64.1573 -30.9928 -30.9928 -30.7199 -30.7199 -30.6816 -30.6816 2.5546 2.5546 24.0038 24.0038 24.0081 24.0081 27.2142 27.2142 31.2600 31.2601 k = 0.0699 0.0988 0.1712 ( 649 PWs) bands (ev): -64.1564 -64.1564 -30.9953 -30.9953 -30.7230 -30.7230 -30.6823 -30.6823 2.6307 2.6307 23.7526 23.7526 23.7571 23.7571 27.0898 27.0898 31.3271 31.3272 k = 0.0726 0.1026 0.1778 ( 649 PWs) bands (ev): -64.1556 -64.1556 -30.9979 -30.9979 -30.7260 -30.7260 -30.6831 -30.6831 2.7097 2.7097 23.5032 23.5032 23.5079 23.5079 26.9624 26.9624 31.3977 31.3977 k = 0.0753 0.1064 0.1844 ( 655 PWs) bands (ev): -64.1548 -64.1548 -31.0006 -31.0006 -30.7292 -30.7292 -30.6838 -30.6838 2.7916 2.7916 23.2557 23.2557 23.2606 23.2606 26.8321 26.8321 31.4715 31.4716 k = 0.0780 0.1102 0.1910 ( 655 PWs) bands (ev): -64.1539 -64.1539 -31.0034 -31.0034 -30.7323 -30.7323 -30.6846 -30.6846 2.8763 2.8763 23.0102 23.0102 23.0153 23.0153 26.6991 26.6991 31.5487 31.5487 k = 0.0806 0.1140 0.1975 ( 655 PWs) bands (ev): -64.1530 -64.1530 -31.0062 -31.0062 -30.7354 -30.7354 -30.6855 -30.6855 2.9637 2.9637 22.7668 22.7668 22.7722 22.7722 26.5636 26.5636 31.6290 31.6291 k = 0.0833 0.1179 0.2041 ( 655 PWs) bands (ev): -64.1521 -64.1521 -31.0090 -31.0090 -30.7385 -30.7385 -30.6864 -30.6864 3.0540 3.0540 22.5257 22.5257 22.5312 22.5312 26.4257 26.4257 31.7126 31.7126 k = 0.0860 0.1217 0.2107 ( 655 PWs) bands (ev): -64.1512 -64.1512 -31.0119 -31.0119 -30.7416 -30.7416 -30.6873 -30.6873 3.1470 3.1470 22.2867 22.2867 22.2924 22.2924 26.2856 26.2856 31.7992 31.7992 k = 0.0887 0.1255 0.2173 ( 655 PWs) bands (ev): -64.1503 -64.1503 -31.0149 -31.0149 -30.7447 -30.7447 -30.6882 -30.6882 3.2428 3.2428 22.0501 22.0501 22.0560 22.0560 26.1434 26.1434 31.8889 31.8889 k = 0.0914 0.1293 0.2239 ( 658 PWs) bands (ev): -64.1494 -64.1494 -31.0179 -31.0179 -30.7478 -30.7478 -30.6892 -30.6892 3.3413 3.3413 21.8159 21.8159 21.8219 21.8219 25.9992 25.9992 31.9816 31.9816 k = 0.0941 0.1331 0.2305 ( 658 PWs) bands (ev): -64.1485 -64.1485 -31.0210 -31.0210 -30.7508 -30.7508 -30.6903 -30.6903 3.4426 3.4426 21.5840 21.5840 21.5903 21.5903 25.8534 25.8534 32.0773 32.0773 k = 0.0968 0.1369 0.2370 ( 658 PWs) bands (ev): -64.1476 -64.1476 -31.0240 -31.0240 -30.7538 -30.7538 -30.6913 -30.6913 3.5465 3.5465 21.3547 21.3547 21.3611 21.3611 25.7060 25.7060 32.1760 32.1760 k = 0.0995 0.1407 0.2436 ( 661 PWs) bands (ev): -64.1467 -64.1467 -31.0271 -31.0271 -30.7567 -30.7567 -30.6925 -30.6925 3.6531 3.6531 21.1278 21.1278 21.1345 21.1345 25.5570 25.5570 32.2774 32.2774 k = 0.1022 0.1445 0.2502 ( 655 PWs) bands (ev): -64.1457 -64.1457 -31.0301 -31.0301 -30.7596 -30.7596 -30.6936 -30.6936 3.7625 3.7625 20.9038 20.9038 20.9106 20.9106 25.4071 25.4071 32.3821 32.3821 k = 0.1048 0.1483 0.2568 ( 655 PWs) bands (ev): -64.1448 -64.1448 -31.0332 -31.0332 -30.7625 -30.7625 -30.6947 -30.6947 3.8744 3.8744 20.6820 20.6820 20.6890 20.6890 25.2558 25.2558 32.4894 32.4895 k = 0.1075 0.1521 0.2634 ( 655 PWs) bands (ev): -64.1439 -64.1439 -31.0363 -31.0363 -30.7653 -30.7653 -30.6959 -30.6959 3.9890 3.9890 20.4627 20.4627 20.4700 20.4700 25.1035 25.1035 32.5996 32.5996 k = 0.1102 0.1559 0.2700 ( 649 PWs) bands (ev): -64.1429 -64.1429 -31.0393 -31.0393 -30.7680 -30.7680 -30.6972 -30.6972 4.1062 4.1062 20.2463 20.2463 20.2537 20.2537 24.9517 24.9517 32.7126 32.7126 k = 0.1129 0.1597 0.2766 ( 649 PWs) bands (ev): -64.1420 -64.1420 -31.0423 -31.0423 -30.7707 -30.7707 -30.6985 -30.6985 4.2259 4.2259 20.0322 20.0322 20.0398 20.0398 24.7977 24.7977 32.8284 32.8284 k = 0.1156 0.1635 0.2831 ( 655 PWs) bands (ev): -64.1411 -64.1411 -31.0454 -31.0454 -30.7735 -30.7735 -30.6998 -30.6998 4.3482 4.3482 19.8208 19.8208 19.8286 19.8286 24.6427 24.6427 32.9467 32.9467 k = 0.1183 0.1673 0.2897 ( 655 PWs) bands (ev): -64.1402 -64.1402 -31.0483 -31.0483 -30.7761 -30.7761 -30.7012 -30.7012 4.4731 4.4731 19.6120 19.6120 19.6200 19.6200 24.4876 24.4876 33.0680 33.0680 k = 0.1210 0.1711 0.2963 ( 655 PWs) bands (ev): -64.1393 -64.1393 -31.0512 -31.0512 -30.7786 -30.7786 -30.7026 -30.7026 4.6004 4.6004 19.4059 19.4059 19.4141 19.4141 24.3321 24.3321 33.1919 33.1919 k = 0.1237 0.1749 0.3029 ( 655 PWs) bands (ev): -64.1384 -64.1384 -31.0541 -31.0541 -30.7812 -30.7812 -30.7041 -30.7041 4.7302 4.7302 19.2024 19.2024 19.2108 19.2108 24.1764 24.1764 33.3186 33.3186 k = 0.1263 0.1787 0.3095 ( 655 PWs) bands (ev): -64.1375 -64.1375 -31.0569 -31.0569 -30.7836 -30.7836 -30.7056 -30.7056 4.8625 4.8625 19.0016 19.0016 19.0102 19.0102 24.0206 24.0206 33.4478 33.4478 k = 0.1290 0.1825 0.3161 ( 655 PWs) bands (ev): -64.1367 -64.1367 -31.0596 -31.0596 -30.7860 -30.7860 -30.7071 -30.7071 4.9973 4.9973 18.8035 18.8035 18.8123 18.8123 23.8648 23.8648 33.5797 33.5797 k = 0.1317 0.1863 0.3226 ( 655 PWs) bands (ev): -64.1358 -64.1358 -31.0622 -31.0622 -30.7884 -30.7884 -30.7086 -30.7086 5.1344 5.1344 18.6080 18.6080 18.6170 18.6170 23.7091 23.7091 33.7142 33.7142 k = 0.1344 0.1901 0.3292 ( 655 PWs) bands (ev): -64.1350 -64.1350 -31.0648 -31.0648 -30.7907 -30.7907 -30.7102 -30.7102 5.2740 5.2740 18.4153 18.4153 18.4245 18.4245 23.5536 23.5536 33.8511 33.8511 k = 0.1371 0.1939 0.3358 ( 649 PWs) bands (ev): -64.1342 -64.1342 -31.0672 -31.0672 -30.7928 -30.7928 -30.7118 -30.7118 5.4160 5.4160 18.2255 18.2255 18.2349 18.2349 23.3990 23.3990 33.9907 33.9907 k = 0.1398 0.1977 0.3424 ( 649 PWs) bands (ev): -64.1334 -64.1334 -31.0695 -31.0695 -30.7950 -30.7950 -30.7135 -30.7135 5.5603 5.5603 18.0382 18.0382 18.0477 18.0477 23.2443 23.2443 34.1326 34.1326 k = 0.1425 0.2015 0.3490 ( 649 PWs) bands (ev): -64.1326 -64.1326 -31.0718 -31.0718 -30.7971 -30.7971 -30.7152 -30.7152 5.7068 5.7068 17.8535 17.8535 17.8632 17.8632 23.0902 23.0902 34.2770 34.2770 k = 0.1452 0.2053 0.3556 ( 655 PWs) bands (ev): -64.1318 -64.1318 -31.0740 -31.0740 -30.7992 -30.7992 -30.7170 -30.7170 5.8556 5.8556 17.6715 17.6715 17.6814 17.6814 22.9364 22.9364 34.4236 34.4236 k = 0.1478 0.2091 0.3622 ( 655 PWs) bands (ev): -64.1311 -64.1311 -31.0760 -31.0760 -30.8012 -30.8012 -30.7188 -30.7188 6.0066 6.0066 17.4922 17.4922 17.5024 17.5024 22.7837 22.7837 34.5727 34.5727 k = 0.1505 0.2129 0.3687 ( 655 PWs) bands (ev): -64.1304 -64.1304 -31.0779 -31.0779 -30.8031 -30.8031 -30.7206 -30.7206 6.1599 6.1599 17.3157 17.3157 17.3260 17.3260 22.6319 22.6319 34.7239 34.7239 k = 0.1532 0.2167 0.3753 ( 655 PWs) bands (ev): -64.1297 -64.1297 -31.0797 -31.0797 -30.8049 -30.8049 -30.7225 -30.7225 6.3154 6.3154 17.1418 17.1418 17.1523 17.1523 22.4810 22.4810 34.8773 34.8773 k = 0.1559 0.2205 0.3819 ( 655 PWs) bands (ev): -64.1290 -64.1290 -31.0814 -31.0814 -30.8067 -30.8067 -30.7244 -30.7244 6.4729 6.4729 16.9706 16.9706 16.9813 16.9813 22.3313 22.3313 35.0329 35.0329 k = 0.1586 0.2243 0.3885 ( 667 PWs) bands (ev): -64.1283 -64.1283 -31.0830 -31.0830 -30.8085 -30.8085 -30.7264 -30.7264 6.6326 6.6326 16.8020 16.8020 16.8129 16.8129 22.1825 22.1825 35.1898 35.1898 k = 0.1613 0.2281 0.3951 ( 667 PWs) bands (ev): -64.1277 -64.1277 -31.0845 -31.0845 -30.8101 -30.8101 -30.7284 -30.7284 6.7943 6.7943 16.6362 16.6362 16.6473 16.6473 22.0353 22.0353 35.3493 35.3493 k = 0.1640 0.2319 0.4017 ( 673 PWs) bands (ev): -64.1271 -64.1271 -31.0859 -31.0859 -30.8117 -30.8117 -30.7304 -30.7304 6.9579 6.9579 16.4731 16.4731 16.4844 16.4844 21.8891 21.8891 35.5105 35.5105 k = 0.1667 0.2357 0.4082 ( 673 PWs) bands (ev): -64.1265 -64.1265 -31.0870 -31.0870 -30.8132 -30.8132 -30.7324 -30.7324 7.1236 7.1236 16.3127 16.3127 16.3242 16.3242 21.7448 21.7448 35.6734 35.6734 k = 0.1694 0.2395 0.4148 ( 673 PWs) bands (ev): -64.1260 -64.1260 -31.0881 -31.0881 -30.8146 -30.8146 -30.7344 -30.7344 7.2912 7.2912 16.1550 16.1550 16.1667 16.1667 21.6022 21.6022 35.8379 35.8379 k = 0.1720 0.2433 0.4214 ( 673 PWs) bands (ev): -64.1254 -64.1254 -31.0890 -31.0890 -30.8158 -30.8158 -30.7365 -30.7365 7.4607 7.4607 16.0000 16.0000 16.0118 16.0118 21.4612 21.4612 36.0038 36.0038 k = 0.1747 0.2471 0.4280 ( 673 PWs) bands (ev): -64.1249 -64.1249 -31.0898 -31.0898 -30.8171 -30.8171 -30.7386 -30.7386 7.6320 7.6320 15.8477 15.8477 15.8597 15.8597 21.3222 21.3222 36.1708 36.1708 k = 0.1774 0.2509 0.4346 ( 673 PWs) bands (ev): -64.1244 -64.1244 -31.0905 -31.0905 -30.8182 -30.8182 -30.7408 -30.7408 7.8050 7.8050 15.6981 15.6981 15.7102 15.7102 21.1850 21.1850 36.3389 36.3390 k = 0.1801 0.2547 0.4412 ( 673 PWs) bands (ev): -64.1239 -64.1239 -31.0910 -31.0910 -30.8192 -30.8192 -30.7429 -30.7429 7.9797 7.9797 15.5511 15.5511 15.5634 15.5634 21.0500 21.0500 36.5079 36.5079 k = 0.1828 0.2585 0.4478 ( 673 PWs) bands (ev): -64.1235 -64.1235 -31.0915 -31.0915 -30.8201 -30.8201 -30.7451 -30.7451 8.1560 8.1560 15.4068 15.4068 15.4193 15.4193 20.9172 20.9172 36.6773 36.6774 k = 0.1855 0.2623 0.4543 ( 673 PWs) bands (ev): -64.1231 -64.1231 -31.0919 -31.0919 -30.8209 -30.8209 -30.7473 -30.7473 8.3339 8.3339 15.2652 15.2652 15.2779 15.2779 20.7867 20.7867 36.8470 36.8471 k = 0.1882 0.2661 0.4609 ( 673 PWs) bands (ev): -64.1227 -64.1227 -31.0921 -31.0921 -30.8216 -30.8216 -30.7495 -30.7495 8.5132 8.5132 15.1263 15.1263 15.1391 15.1391 20.6587 20.6587 37.0167 37.0167 k = 0.1909 0.2699 0.4675 ( 667 PWs) bands (ev): -64.1223 -64.1223 -31.0922 -31.0922 -30.8221 -30.8221 -30.7517 -30.7517 8.6940 8.6940 14.9902 14.9902 15.0032 15.0032 20.5335 20.5335 37.1862 37.1862 k = 0.1935 0.2737 0.4741 ( 667 PWs) bands (ev): -64.1219 -64.1219 -31.0923 -31.0923 -30.8226 -30.8226 -30.7540 -30.7540 8.8760 8.8760 14.8565 14.8565 14.8697 14.8697 20.4108 20.4108 37.3544 37.3545 k = 0.1962 0.2775 0.4807 ( 667 PWs) bands (ev): -64.1216 -64.1216 -31.0923 -31.0923 -30.8230 -30.8230 -30.7563 -30.7563 9.0591 9.0591 14.7256 14.7256 14.7389 14.7389 20.2910 20.2910 37.5215 37.5216 k = 0.1989 0.2813 0.4873 ( 673 PWs) bands (ev): -64.1213 -64.1213 -31.0923 -31.0923 -30.8233 -30.8233 -30.7586 -30.7586 9.2431 9.2431 14.5972 14.5972 14.6108 14.6108 20.1741 20.1741 37.6863 37.6864 k = 0.2016 0.2851 0.4938 ( 667 PWs) bands (ev): -64.1210 -64.1210 -31.0921 -31.0921 -30.8234 -30.8234 -30.7609 -30.7609 9.4283 9.4283 14.4716 14.4716 14.4853 14.4853 20.0608 20.0608 37.8492 37.8493 k = 0.2043 0.2889 0.5004 ( 667 PWs) bands (ev): -64.1208 -64.1208 -31.0919 -31.0919 -30.8233 -30.8233 -30.7632 -30.7632 9.6142 9.6142 14.3486 14.3486 14.3624 14.3624 19.9507 19.9507 38.0090 38.0091 k = 0.2070 0.2927 0.5070 ( 667 PWs) bands (ev): -64.1205 -64.1205 -31.0917 -31.0917 -30.8232 -30.8232 -30.7656 -30.7656 9.8007 9.8007 14.2282 14.2282 14.2422 14.2422 19.8442 19.8442 38.1652 38.1652 k = 0.2097 0.2965 0.5136 ( 673 PWs) bands (ev): -64.1204 -64.1204 -31.0915 -31.0915 -30.8230 -30.8230 -30.7679 -30.7679 9.9872 9.9872 14.1104 14.1104 14.1246 14.1246 19.7413 19.7413 38.3171 38.3173 k = 0.2124 0.3003 0.5202 ( 673 PWs) bands (ev): -64.1202 -64.1202 -31.0912 -31.0912 -30.8226 -30.8226 -30.7703 -30.7703 10.1744 10.1744 13.9953 13.9953 14.0096 14.0096 19.6426 19.6426 38.4641 38.4643 k = 0.2151 0.3041 0.5268 ( 673 PWs) bands (ev): -64.1200 -64.1200 -31.0909 -31.0909 -30.8220 -30.8220 -30.7726 -30.7726 10.3617 10.3617 13.8828 13.8828 13.8973 13.8973 19.5483 19.5483 38.6059 38.6060 k = 0.2177 0.3079 0.5334 ( 673 PWs) bands (ev): -64.1198 -64.1198 -31.0905 -31.0905 -30.8214 -30.8214 -30.7750 -30.7750 10.5488 10.5488 13.7729 13.7729 13.7875 13.7875 19.4584 19.4584 38.7413 38.7416 k = 0.2204 0.3117 0.5399 ( 673 PWs) bands (ev): -64.1197 -64.1197 -31.0902 -31.0902 -30.8205 -30.8205 -30.7773 -30.7773 10.7356 10.7356 13.6656 13.6656 13.6804 13.6804 19.3734 19.3734 38.8703 38.8705 k = 0.2231 0.3155 0.5465 ( 673 PWs) bands (ev): -64.1196 -64.1196 -31.0899 -31.0899 -30.8196 -30.8196 -30.7797 -30.7797 10.9217 10.9217 13.5609 13.5609 13.5759 13.5759 19.2935 19.2935 38.9919 38.9923 k = 0.2258 0.3193 0.5531 ( 673 PWs) bands (ev): -64.1195 -64.1195 -31.0895 -31.0895 -30.8185 -30.8185 -30.7820 -30.7820 11.1068 11.1068 13.4589 13.4589 13.4740 13.4740 19.2190 19.2190 39.1060 39.1061 k = 0.2285 0.3231 0.5597 ( 673 PWs) bands (ev): -64.1194 -64.1194 -31.0892 -31.0892 -30.8172 -30.8172 -30.7844 -30.7844 11.2907 11.2907 13.3594 13.3594 13.3746 13.3746 19.1504 19.1504 39.2120 39.2120 k = 0.2312 0.3269 0.5663 ( 673 PWs) bands (ev): -64.1193 -64.1193 -31.0889 -31.0889 -30.8159 -30.8159 -30.7867 -30.7867 11.4729 11.4729 13.2626 13.2626 13.2779 13.2779 19.0880 19.0880 39.3088 39.3090 k = 0.2339 0.3307 0.5729 ( 673 PWs) bands (ev): -64.1193 -64.1193 -31.0887 -31.0887 -30.8144 -30.8144 -30.7890 -30.7890 11.6530 11.6530 13.1683 13.1683 13.1838 13.1838 19.0323 19.0323 39.3964 39.3965 k = 0.2366 0.3345 0.5794 ( 670 PWs) bands (ev): -64.1192 -64.1192 -31.0884 -31.0884 -30.8127 -30.8127 -30.7913 -30.7913 11.8307 11.8307 13.0767 13.0767 13.0923 13.0923 18.9837 18.9837 39.4744 39.4745 k = 0.2392 0.3383 0.5860 ( 670 PWs) bands (ev): -64.1192 -64.1192 -31.0882 -31.0882 -30.8109 -30.8109 -30.7936 -30.7936 12.0054 12.0054 12.9876 12.9876 13.0033 13.0033 18.9426 18.9426 39.5409 39.5409 k = 0.2419 0.3421 0.5926 ( 670 PWs) bands (ev): -64.1191 -64.1191 -31.0880 -31.0880 -30.8091 -30.8091 -30.7959 -30.7959 12.1767 12.1767 12.9011 12.9011 12.9169 12.9169 18.9097 18.9097 39.5953 39.5954 k = 0.2446 0.3460 0.5992 ( 667 PWs) bands (ev): -64.1191 -64.1191 -31.0879 -31.0879 -30.8070 -30.8070 -30.7982 -30.7982 12.3440 12.3440 12.8173 12.8173 12.8331 12.8331 18.8855 18.8855 39.6368 39.6368 k = 0.2473 0.3498 0.6058 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8049 -30.8049 -30.8005 -30.8005 12.5066 12.5066 12.7362 12.7362 12.7518 12.7518 18.8705 18.8705 39.6628 39.6628 k = 0.2500 0.3536 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8027 -30.8027 -30.8027 -30.8027 12.6487 12.6487 12.6731 12.6731 12.6731 12.6731 18.8654 18.8654 39.6720 39.6720 k = 0.2500 0.3536 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8027 -30.8027 -30.8027 -30.8027 12.6487 12.6487 12.6731 12.6731 12.6731 12.6731 18.8654 18.8654 39.6720 39.6720 k = 0.2527 0.3460 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8049 -30.8049 -30.8004 -30.8004 12.5800 12.5800 12.5969 12.5969 12.8176 12.8176 18.8707 18.8707 39.6621 39.6621 k = 0.2554 0.3383 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0879 -31.0879 -30.8071 -30.8071 -30.7981 -30.7981 12.5065 12.5065 12.5233 12.5233 12.9632 12.9632 18.8870 18.8870 39.6310 39.6310 k = 0.2581 0.3307 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0880 -31.0880 -30.8093 -30.8093 -30.7956 -30.7956 12.4354 12.4354 12.4522 12.4522 13.1022 13.1022 18.9150 18.9150 39.5763 39.5764 k = 0.2608 0.3231 0.6124 ( 673 PWs) bands (ev): -64.1191 -64.1191 -31.0882 -31.0882 -30.8116 -30.8116 -30.7932 -30.7932 12.3667 12.3667 12.3835 12.3835 13.2339 13.2339 18.9551 18.9551 39.4953 39.4954 k = 0.2634 0.3155 0.6124 ( 673 PWs) bands (ev): -64.1192 -64.1192 -31.0885 -31.0885 -30.8137 -30.8137 -30.7907 -30.7907 12.3006 12.3006 12.3175 12.3175 13.3580 13.3580 19.0077 19.0077 39.3880 39.3882 k = 0.2661 0.3079 0.6124 ( 673 PWs) bands (ev): -64.1192 -64.1192 -31.0887 -31.0887 -30.8158 -30.8158 -30.7881 -30.7881 12.2370 12.2370 12.2541 12.2541 13.4742 13.4742 19.0732 19.0732 39.2531 39.2534 k = 0.2688 0.3003 0.6124 ( 673 PWs) bands (ev): -64.1192 -64.1192 -31.0890 -31.0890 -30.8178 -30.8178 -30.7855 -30.7855 12.1760 12.1760 12.1931 12.1931 13.5822 13.5822 19.1518 19.1518 39.0907 39.0910 k = 0.2715 0.2927 0.6124 ( 673 PWs) bands (ev): -64.1192 -64.1192 -31.0894 -31.0894 -30.8199 -30.8199 -30.7829 -30.7829 12.1175 12.1175 12.1347 12.1347 13.6818 13.6818 19.2437 19.2437 38.9019 38.9022 k = 0.2742 0.2851 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0898 -31.0898 -30.8219 -30.8219 -30.7803 -30.7803 12.0614 12.0614 12.0787 12.0787 13.7731 13.7731 19.3489 19.3489 38.6888 38.6895 k = 0.2769 0.2775 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0903 -31.0903 -30.8239 -30.8239 -30.7777 -30.7777 12.0080 12.0080 12.0253 12.0253 13.8563 13.8563 19.4672 19.4672 38.4540 38.4543 k = 0.2796 0.2699 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0908 -31.0908 -30.8258 -30.8258 -30.7751 -30.7751 11.9570 11.9570 11.9744 11.9744 13.9315 13.9315 19.5983 19.5983 38.2001 38.2011 k = 0.2823 0.2623 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0913 -31.0913 -30.8277 -30.8277 -30.7725 -30.7725 11.9086 11.9086 11.9261 11.9261 13.9993 13.9993 19.7420 19.7420 37.9301 37.9306 k = 0.2849 0.2547 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0918 -31.0918 -30.8295 -30.8295 -30.7700 -30.7700 11.8627 11.8627 11.8802 11.8802 14.0599 14.0599 19.8976 19.8976 37.6465 37.6473 k = 0.2876 0.2471 0.6124 ( 679 PWs) bands (ev): -64.1192 -64.1192 -31.0924 -31.0924 -30.8313 -30.8313 -30.7675 -30.7675 11.8192 11.8192 11.8369 11.8369 14.1141 14.1141 20.0648 20.0648 37.3510 37.3525 k = 0.2903 0.2395 0.6124 ( 676 PWs) bands (ev): -64.1191 -64.1191 -31.0929 -31.0929 -30.8331 -30.8331 -30.7650 -30.7650 11.7783 11.7783 11.7960 11.7960 14.1623 14.1623 20.2430 20.2430 37.0475 37.0486 k = 0.2930 0.2319 0.6124 ( 676 PWs) bands (ev): -64.1191 -64.1191 -31.0935 -31.0935 -30.8348 -30.8348 -30.7627 -30.7627 11.7399 11.7399 11.7577 11.7577 14.2052 14.2052 20.4314 20.4314 36.7351 36.7370 k = 0.2957 0.2243 0.6124 ( 676 PWs) bands (ev): -64.1190 -64.1190 -31.0942 -31.0942 -30.8364 -30.8364 -30.7604 -30.7604 11.7040 11.7040 11.7218 11.7218 14.2434 14.2434 20.6295 20.6295 36.4181 36.4192 k = 0.2984 0.2167 0.6124 ( 676 PWs) bands (ev): -64.1189 -64.1189 -31.0948 -31.0948 -30.8381 -30.8381 -30.7582 -30.7582 11.6706 11.6706 11.6884 11.6884 14.2774 14.2774 20.8368 20.8368 36.0960 36.0974 k = 0.3011 0.2091 0.6124 ( 676 PWs) bands (ev): -64.1189 -64.1189 -31.0955 -31.0955 -30.8396 -30.8396 -30.7562 -30.7562 11.6396 11.6396 11.6575 11.6575 14.3080 14.3080 21.0526 21.0526 35.7695 35.7720 k = 0.3038 0.2015 0.6124 ( 676 PWs) bands (ev): -64.1188 -64.1188 -31.0962 -31.0962 -30.8412 -30.8412 -30.7542 -30.7542 11.6112 11.6112 11.6291 11.6291 14.3355 14.3355 21.2763 21.2763 35.4411 35.4411 k = 0.3065 0.1939 0.6124 ( 676 PWs) bands (ev): -64.1186 -64.1186 -31.0969 -31.0969 -30.8426 -30.8426 -30.7524 -30.7524 11.5852 11.5852 11.6032 11.6032 14.3606 14.3606 21.5074 21.5074 35.1109 35.1109 k = 0.3091 0.1863 0.6124 ( 664 PWs) bands (ev): -64.1185 -64.1185 -31.0974 -31.0974 -30.8440 -30.8440 -30.7505 -30.7505 11.5620 11.5620 11.5800 11.5800 14.3837 14.3837 21.7459 21.7459 34.7810 34.7836 k = 0.3118 0.1787 0.6124 ( 664 PWs) bands (ev): -64.1183 -64.1183 -31.0981 -31.0981 -30.8453 -30.8453 -30.7489 -30.7489 11.5410 11.5410 11.5590 11.5590 14.4053 14.4053 21.9904 21.9904 34.4485 34.4485 k = 0.3145 0.1711 0.6124 ( 664 PWs) bands (ev): -64.1182 -64.1182 -31.0988 -31.0988 -30.8467 -30.8467 -30.7475 -30.7475 11.5225 11.5225 11.5405 11.5405 14.4257 14.4257 22.2410 22.2410 34.1162 34.1192 k = 0.3172 0.1635 0.6124 ( 670 PWs) bands (ev): -64.1180 -64.1180 -31.0996 -31.0996 -30.8480 -30.8480 -30.7463 -30.7463 11.5063 11.5063 11.5244 11.5244 14.4454 14.4454 22.4970 22.4970 33.7836 33.7836 k = 0.3199 0.1559 0.6124 ( 670 PWs) bands (ev): -64.1178 -64.1178 -31.1003 -31.1003 -30.8492 -30.8492 -30.7451 -30.7451 11.4927 11.4927 11.5108 11.5108 14.4647 14.4647 22.7585 22.7585 33.4519 33.4519 k = 0.3226 0.1483 0.6124 ( 670 PWs) bands (ev): -64.1176 -64.1176 -31.1010 -31.1010 -30.8504 -30.8504 -30.7441 -30.7441 11.4816 11.4816 11.4997 11.4997 14.4839 14.4839 23.0250 23.0250 33.1209 33.1209 k = 0.3253 0.1407 0.6124 ( 670 PWs) bands (ev): -64.1174 -64.1174 -31.1017 -31.1017 -30.8515 -30.8515 -30.7433 -30.7433 11.4730 11.4730 11.4910 11.4910 14.5032 14.5032 23.2962 23.2962 32.7910 32.7910 k = 0.3280 0.1331 0.6124 ( 670 PWs) bands (ev): -64.1172 -64.1172 -31.1024 -31.1024 -30.8525 -30.8525 -30.7426 -30.7426 11.4668 11.4668 11.4849 11.4849 14.5230 14.5230 23.5717 23.5717 32.4624 32.4624 k = 0.3306 0.1255 0.6124 ( 664 PWs) bands (ev): -64.1169 -64.1169 -31.1031 -31.1031 -30.8535 -30.8535 -30.7421 -30.7421 11.4632 11.4632 11.4812 11.4812 14.5434 14.5434 23.8517 23.8517 32.1358 32.1358 k = 0.3333 0.1179 0.6124 ( 664 PWs) bands (ev): -64.1166 -64.1166 -31.1037 -31.1037 -30.8544 -30.8544 -30.7418 -30.7418 11.4619 11.4619 11.4800 11.4800 14.5645 14.5645 24.1353 24.1353 31.8102 31.8102 k = 0.3360 0.1102 0.6124 ( 664 PWs) bands (ev): -64.1163 -64.1163 -31.1044 -31.1044 -30.8554 -30.8554 -30.7416 -30.7416 11.4631 11.4631 11.4812 11.4812 14.5867 14.5867 24.4226 24.4226 31.4863 31.4863 k = 0.3387 0.1026 0.6124 ( 670 PWs) bands (ev): -64.1160 -64.1160 -31.1052 -31.1052 -30.8563 -30.8563 -30.7417 -30.7417 11.4667 11.4667 11.4847 11.4847 14.6100 14.6100 24.7133 24.7133 31.1643 31.1643 k = 0.3414 0.0950 0.6124 ( 670 PWs) bands (ev): -64.1157 -64.1157 -31.1058 -31.1058 -30.8571 -30.8571 -30.7418 -30.7418 11.4728 11.4728 11.4908 11.4908 14.6345 14.6345 25.0075 25.0075 30.8443 30.8443 k = 0.3441 0.0874 0.6124 ( 670 PWs) bands (ev): -64.1153 -64.1153 -31.1065 -31.1065 -30.8578 -30.8578 -30.7422 -30.7422 11.4814 11.4814 11.4994 11.4994 14.6604 14.6604 25.3048 25.3048 30.5263 30.5263 k = 0.3468 0.0798 0.6124 ( 664 PWs) bands (ev): -64.1149 -64.1149 -31.1071 -31.1071 -30.8585 -30.8585 -30.7426 -30.7426 11.4926 11.4926 11.5105 11.5105 14.6878 14.6878 25.6053 25.6053 30.2109 30.2109 k = 0.3495 0.0722 0.6124 ( 664 PWs) bands (ev): -64.1145 -64.1145 -31.1078 -31.1078 -30.8592 -30.8592 -30.7433 -30.7433 11.5061 11.5061 11.5240 11.5240 14.7167 14.7167 25.9084 25.9084 29.8973 29.8973 k = 0.3522 0.0646 0.6124 ( 664 PWs) bands (ev): -64.1141 -64.1141 -31.1084 -31.1084 -30.8598 -30.8598 -30.7442 -30.7442 11.5220 11.5220 11.5399 11.5399 14.7473 14.7473 26.2141 26.2141 29.5861 29.5861 k = 0.3548 0.0570 0.6124 ( 676 PWs) bands (ev): -64.1138 -64.1138 -31.1091 -31.1091 -30.8604 -30.8604 -30.7454 -30.7454 11.5403 11.5403 11.5581 11.5581 14.7794 14.7794 26.5203 26.5203 29.2771 29.2771 k = 0.3575 0.0494 0.6124 ( 676 PWs) bands (ev): -64.1133 -64.1133 -31.1098 -31.1098 -30.8609 -30.8609 -30.7466 -30.7466 11.5611 11.5611 11.5789 11.5789 14.8134 14.8134 26.8307 26.8307 28.9706 28.9706 k = 0.3602 0.0418 0.6124 ( 676 PWs) bands (ev): -64.1129 -64.1129 -31.1104 -31.1104 -30.8613 -30.8613 -30.7479 -30.7479 11.5844 11.5844 11.6021 11.6021 14.8491 14.8491 27.1433 27.1433 28.6667 28.6667 k = 0.3629 0.0342 0.6124 ( 676 PWs) bands (ev): -64.1124 -64.1124 -31.1110 -31.1110 -30.8618 -30.8618 -30.7494 -30.7494 11.6102 11.6102 11.6278 11.6278 14.8867 14.8867 27.4577 27.4577 28.3653 28.3653 k = 0.3656 0.0266 0.6124 ( 676 PWs) bands (ev): -64.1119 -64.1119 -31.1116 -31.1116 -30.8621 -30.8621 -30.7510 -30.7510 11.6384 11.6384 11.6560 11.6560 14.9260 14.9260 27.7737 27.7737 28.0666 28.0666 k = 0.3683 0.0190 0.6124 ( 670 PWs) bands (ev): -64.1114 -64.1114 -31.1121 -31.1121 -30.8624 -30.8624 -30.7528 -30.7528 11.6692 11.6692 11.6867 11.6867 14.9672 14.9672 27.7704 27.7704 27.7776 27.7776 k = 0.3710 0.0114 0.6124 ( 664 PWs) bands (ev): -64.1109 -64.1109 -31.1127 -31.1127 -30.8626 -30.8626 -30.7546 -30.7546 11.7024 11.7024 11.7198 11.7198 15.0103 15.0103 27.4773 27.4773 27.4847 27.4847 k = 0.3737 0.0038 0.6124 ( 664 PWs) bands (ev): -64.1103 -64.1103 -31.1133 -31.1133 -30.8628 -30.8628 -30.7567 -30.7567 11.7380 11.7380 11.7553 11.7553 15.0552 15.0552 27.1864 27.1864 27.1939 27.1939 k = 0.3763-0.0038 0.6124 ( 664 PWs) bands (ev): -64.1098 -64.1098 -31.1139 -31.1139 -30.8630 -30.8630 -30.7588 -30.7588 11.7759 11.7759 11.7931 11.7931 15.1019 15.1019 26.8981 26.8981 26.9059 26.9059 k = 0.3790-0.0114 0.6124 ( 667 PWs) bands (ev): -64.1093 -64.1093 -31.1145 -31.1145 -30.8632 -30.8632 -30.7612 -30.7612 11.8163 11.8163 11.8335 11.8335 15.1504 15.1504 26.6126 26.6126 26.6205 26.6205 k = 0.3817-0.0190 0.6124 ( 667 PWs) bands (ev): -64.1087 -64.1087 -31.1151 -31.1151 -30.8633 -30.8633 -30.7636 -30.7636 11.8592 11.8592 11.8762 11.8762 15.2007 15.2007 26.3298 26.3298 26.3379 26.3379 k = 0.3844-0.0266 0.6124 ( 667 PWs) bands (ev): -64.1081 -64.1081 -31.1157 -31.1157 -30.8634 -30.8634 -30.7660 -30.7660 11.9045 11.9045 11.9214 11.9214 15.2527 15.2527 26.0498 26.0498 26.0581 26.0581 k = 0.3871-0.0342 0.6124 ( 679 PWs) bands (ev): -64.1076 -64.1076 -31.1164 -31.1164 -30.8636 -30.8636 -30.7687 -30.7687 11.9517 11.9517 11.9685 11.9685 15.3064 15.3064 25.7724 25.7724 25.7810 25.7810 k = 0.3898-0.0418 0.6124 ( 679 PWs) bands (ev): -64.1070 -64.1070 -31.1170 -31.1170 -30.8636 -30.8636 -30.7714 -30.7714 12.0018 12.0018 12.0185 12.0185 15.3619 15.3619 25.4980 25.4980 25.5068 25.5068 k = 0.3925-0.0494 0.6124 ( 679 PWs) bands (ev): -64.1064 -64.1064 -31.1176 -31.1176 -30.8636 -30.8636 -30.7741 -30.7741 12.0544 12.0544 12.0710 12.0710 15.4190 15.4190 25.2264 25.2264 25.2355 25.2355 k = 0.3952-0.0570 0.6124 ( 679 PWs) bands (ev): -64.1058 -64.1058 -31.1183 -31.1183 -30.8636 -30.8636 -30.7769 -30.7769 12.1094 12.1094 12.1258 12.1258 15.4776 15.4776 24.9577 24.9577 24.9670 24.9670 k = 0.3978-0.0646 0.6124 ( 676 PWs) bands (ev): -64.1052 -64.1052 -31.1188 -31.1188 -30.8635 -30.8635 -30.7797 -30.7797 12.1668 12.1668 12.1831 12.1831 15.5380 15.5380 24.6920 24.6920 24.7015 24.7015 k = 0.4005-0.0722 0.6124 ( 676 PWs) bands (ev): -64.1046 -64.1046 -31.1195 -31.1195 -30.8634 -30.8634 -30.7826 -30.7826 12.2266 12.2266 12.2427 12.2427 15.5996 15.5996 24.4290 24.4290 24.4388 24.4388 k = 0.4032-0.0798 0.6124 ( 676 PWs) bands (ev): -64.1040 -64.1040 -31.1201 -31.1201 -30.8633 -30.8633 -30.7856 -30.7856 12.2888 12.2888 12.3047 12.3047 15.6626 15.6626 24.1690 24.1690 24.1790 24.1790 k = 0.4059-0.0874 0.6124 ( 676 PWs) bands (ev): -64.1034 -64.1034 -31.1207 -31.1207 -30.8631 -30.8631 -30.7885 -30.7885 12.3534 12.3534 12.3692 12.3692 15.7268 15.7268 23.9119 23.9119 23.9222 23.9222 k = 0.4086-0.0950 0.6124 ( 667 PWs) bands (ev): -64.1027 -64.1027 -31.1213 -31.1213 -30.8629 -30.8629 -30.7915 -30.7915 12.4205 12.4205 12.4361 12.4361 15.7924 15.7924 23.6585 23.6585 23.6690 23.6690 k = 0.4113-0.1026 0.6124 ( 667 PWs) bands (ev): -64.1021 -64.1021 -31.1220 -31.1220 -30.8627 -30.8627 -30.7945 -30.7945 12.4898 12.4898 12.5052 12.5052 15.8590 15.8590 23.4073 23.4073 23.4180 23.4180 k = 0.4140-0.1102 0.6124 ( 667 PWs) bands (ev): -64.1015 -64.1015 -31.1226 -31.1226 -30.8625 -30.8625 -30.7975 -30.7975 12.5615 12.5615 12.5768 12.5768 15.9266 15.9266 23.1591 23.1591 23.1701 23.1701 k = 0.4167-0.1179 0.6124 ( 667 PWs) bands (ev): -64.1009 -64.1009 -31.1233 -31.1233 -30.8622 -30.8622 -30.8005 -30.8005 12.6355 12.6355 12.6506 12.6506 15.9950 15.9950 22.9140 22.9140 22.9252 22.9252 k = 0.4194-0.1255 0.6124 ( 667 PWs) bands (ev): -64.1003 -64.1003 -31.1240 -31.1240 -30.8620 -30.8620 -30.8035 -30.8035 12.7119 12.7119 12.7268 12.7268 16.0643 16.0643 22.6718 22.6718 22.6834 22.6834 k = 0.4220-0.1331 0.6124 ( 670 PWs) bands (ev): -64.0997 -64.0997 -31.1247 -31.1247 -30.8617 -30.8617 -30.8065 -30.8065 12.7906 12.7906 12.8052 12.8052 16.1341 16.1341 22.4328 22.4328 22.4446 22.4446 k = 0.4247-0.1407 0.6124 ( 670 PWs) bands (ev): -64.0991 -64.0991 -31.1254 -31.1254 -30.8615 -30.8615 -30.8095 -30.8095 12.8715 12.8715 12.8860 12.8860 16.2045 16.2045 22.1968 22.1968 22.2089 22.2089 k = 0.4274-0.1483 0.6124 ( 670 PWs) bands (ev): -64.0986 -64.0986 -31.1261 -31.1261 -30.8612 -30.8612 -30.8124 -30.8124 12.9548 12.9548 12.9690 12.9690 16.2753 16.2753 21.9640 21.9640 21.9764 21.9764 k = 0.4301-0.1559 0.6124 ( 670 PWs) bands (ev): -64.0980 -64.0980 -31.1268 -31.1268 -30.8609 -30.8609 -30.8152 -30.8152 13.0402 13.0402 13.0542 13.0542 16.3462 16.3462 21.7343 21.7343 21.7470 21.7470 k = 0.4328-0.1635 0.6124 ( 670 PWs) bands (ev): -64.0974 -64.0974 -31.1275 -31.1275 -30.8606 -30.8606 -30.8180 -30.8180 13.1279 13.1279 13.1416 13.1416 16.4173 16.4173 21.5079 21.5079 21.5209 21.5209 k = 0.4355-0.1711 0.6124 ( 670 PWs) bands (ev): -64.0969 -64.0969 -31.1283 -31.1283 -30.8604 -30.8604 -30.8207 -30.8207 13.2177 13.2177 13.2311 13.2311 16.4882 16.4882 21.2847 21.2847 21.2980 21.2980 k = 0.4382-0.1787 0.6124 ( 670 PWs) bands (ev): -64.0963 -64.0963 -31.1290 -31.1290 -30.8601 -30.8601 -30.8234 -30.8234 13.3096 13.3096 13.3228 13.3228 16.5588 16.5588 21.0648 21.0648 21.0784 21.0784 k = 0.4409-0.1863 0.6124 ( 670 PWs) bands (ev): -64.0958 -64.0958 -31.1297 -31.1297 -30.8598 -30.8598 -30.8260 -30.8260 13.4036 13.4036 13.4165 13.4165 16.6289 16.6289 20.8482 20.8482 20.8623 20.8623 k = 0.4435-0.1939 0.6124 ( 664 PWs) bands (ev): -64.0953 -64.0953 -31.1304 -31.1304 -30.8595 -30.8595 -30.8284 -30.8284 13.4996 13.4996 13.5121 13.5121 16.6991 16.6991 20.6353 20.6353 20.6497 20.6497 k = 0.4462-0.2015 0.6124 ( 664 PWs) bands (ev): -64.0948 -64.0948 -31.1311 -31.1311 -30.8592 -30.8592 -30.8308 -30.8308 13.5975 13.5975 13.6097 13.6097 16.7676 16.7676 20.4257 20.4257 20.4405 20.4405 k = 0.4489-0.2091 0.6124 ( 670 PWs) bands (ev): -64.0943 -64.0943 -31.1318 -31.1318 -30.8590 -30.8590 -30.8332 -30.8332 13.6970 13.6970 13.7088 13.7088 16.8349 16.8349 20.2197 20.2197 20.2348 20.2348 k = 0.4516-0.2167 0.6124 ( 670 PWs) bands (ev): -64.0939 -64.0939 -31.1325 -31.1325 -30.8587 -30.8587 -30.8354 -30.8354 13.7984 13.7984 13.8098 13.8098 16.9010 16.9010 20.0174 20.0174 20.0330 20.0330 k = 0.4543-0.2243 0.6124 ( 670 PWs) bands (ev): -64.0934 -64.0934 -31.1332 -31.1332 -30.8584 -30.8584 -30.8375 -30.8375 13.9013 13.9013 13.9124 13.9124 16.9656 16.9656 19.8191 19.8191 19.8351 19.8351 k = 0.4570-0.2319 0.6124 ( 670 PWs) bands (ev): -64.0930 -64.0930 -31.1339 -31.1339 -30.8581 -30.8581 -30.8396 -30.8396 14.0057 14.0057 14.0163 14.0163 17.0284 17.0284 19.6247 19.6247 19.6412 19.6412 k = 0.4597-0.2395 0.6124 ( 676 PWs) bands (ev): -64.0926 -64.0926 -31.1346 -31.1346 -30.8579 -30.8579 -30.8416 -30.8416 14.1110 14.1110 14.1212 14.1212 17.0888 17.0888 19.4346 19.4346 19.4516 19.4516 k = 0.4624-0.2471 0.6124 ( 676 PWs) bands (ev): -64.0923 -64.0923 -31.1352 -31.1352 -30.8577 -30.8577 -30.8434 -30.8434 14.2175 14.2175 14.2272 14.2272 17.1472 17.1472 19.2491 19.2491 19.2665 19.2665 k = 0.4651-0.2547 0.6124 ( 676 PWs) bands (ev): -64.0919 -64.0919 -31.1358 -31.1358 -30.8574 -30.8574 -30.8450 -30.8450 14.3246 14.3246 14.3338 14.3338 17.2030 17.2030 19.0683 19.0683 19.0863 19.0863 k = 0.4677-0.2623 0.6124 ( 682 PWs) bands (ev): -64.0916 -64.0916 -31.1364 -31.1364 -30.8572 -30.8572 -30.8467 -30.8467 14.4319 14.4319 14.4405 14.4405 17.2555 17.2555 18.8927 18.8927 18.9113 18.9113 k = 0.4704-0.2699 0.6124 ( 682 PWs) bands (ev): -64.0913 -64.0913 -31.1369 -31.1369 -30.8570 -30.8570 -30.8482 -30.8482 14.5391 14.5391 14.5470 14.5470 17.3054 17.3054 18.7229 18.7229 18.7421 18.7421 k = 0.4731-0.2775 0.6124 ( 682 PWs) bands (ev): -64.0910 -64.0910 -31.1374 -31.1374 -30.8568 -30.8568 -30.8495 -30.8495 14.6454 14.6454 14.6527 14.6527 17.3520 17.3520 18.5593 18.5593 18.5792 18.5792 k = 0.4758-0.2851 0.6124 ( 682 PWs) bands (ev): -64.0908 -64.0908 -31.1379 -31.1379 -30.8566 -30.8566 -30.8507 -30.8507 14.7501 14.7501 14.7566 14.7566 17.3950 17.3950 18.4028 18.4028 18.4234 18.4234 k = 0.4785-0.2927 0.6124 ( 682 PWs) bands (ev): -64.0905 -64.0905 -31.1383 -31.1383 -30.8565 -30.8565 -30.8518 -30.8518 14.8522 14.8522 14.8579 14.8579 17.4341 17.4341 18.2544 18.2544 18.2757 18.2757 k = 0.4812-0.3003 0.6124 ( 682 PWs) bands (ev): -64.0903 -64.0903 -31.1387 -31.1387 -30.8563 -30.8563 -30.8527 -30.8527 14.9504 14.9504 14.9554 14.9554 17.4692 17.4692 18.1153 18.1153 18.1373 18.1373 k = 0.4839-0.3079 0.6124 ( 682 PWs) bands (ev): -64.0901 -64.0901 -31.1390 -31.1390 -30.8562 -30.8562 -30.8536 -30.8536 15.0433 15.0433 15.0473 15.0473 17.5000 17.5000 17.9871 17.9871 18.0099 18.0099 k = 0.4866-0.3155 0.6124 ( 682 PWs) bands (ev): -64.0900 -64.0900 -31.1393 -31.1393 -30.8561 -30.8561 -30.8543 -30.8543 15.1288 15.1288 15.1319 15.1319 17.5263 17.5263 17.8719 17.8719 17.8953 17.8953 k = 0.4892-0.3231 0.6124 ( 682 PWs) bands (ev): -64.0899 -64.0899 -31.1395 -31.1395 -30.8560 -30.8560 -30.8548 -30.8548 15.2046 15.2046 15.2068 15.2068 17.5477 17.5477 17.7721 17.7721 17.7958 17.7958 k = 0.4919-0.3307 0.6124 ( 682 PWs) bands (ev): -64.0898 -64.0898 -31.1397 -31.1397 -30.8559 -30.8559 -30.8553 -30.8553 15.2679 15.2679 15.2693 15.2693 17.5636 17.5636 17.6910 17.6910 17.7142 17.7142 k = 0.4946-0.3383 0.6124 ( 682 PWs) bands (ev): -64.0897 -64.0897 -31.1398 -31.1398 -30.8559 -30.8559 -30.8556 -30.8556 15.3160 15.3160 15.3166 15.3166 17.5721 17.5721 17.6332 17.6332 17.6532 17.6532 k = 0.4973-0.3460 0.6124 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8559 -30.8559 -30.8558 -30.8558 15.3461 15.3461 15.3463 15.3463 17.5679 17.5679 17.6066 17.6066 17.6154 17.6154 k = 0.5000-0.3536 0.6124 ( 682 PWs) bands (ev): -64.0896 -64.0896 -31.1399 -31.1399 -30.8559 -30.8559 -30.8559 -30.8559 15.3564 15.3564 15.3564 15.3564 17.5614 17.5614 17.6025 17.6025 17.6025 17.6025 k = 0.2500 0.3536 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8027 -30.8027 -30.8027 -30.8027 12.6487 12.6487 12.6731 12.6731 12.6731 12.6731 18.8654 18.8654 39.6720 39.6720 k = 0.2454 0.3470 0.6124 ( 664 PWs) bands (ev): -64.1191 -64.1191 -31.0878 -31.0878 -30.8049 -30.8049 -30.8005 -30.8005 12.5320 12.5320 12.6622 12.6622 12.8004 12.8004 18.8705 18.8705 39.6558 39.6558 k = 0.2407 0.3405 0.6124 ( 666 PWs) bands (ev): -64.1191 -64.1191 -31.0879 -31.0879 -30.8071 -30.8071 -30.7982 -30.7982 12.4028 12.4028 12.6534 12.6534 12.9375 12.9375 18.8860 18.8860 39.6075 39.6075 k = 0.2361 0.3339 0.6124 ( 670 PWs) bands (ev): -64.1191 -64.1191 -31.0880 -31.0880 -30.8092 -30.8092 -30.7958 -30.7958 12.2759 12.2759 12.6391 12.6391 13.0773 13.0773 18.9116 18.9116 39.5305 39.5305 k = 0.2315 0.3274 0.6124 ( 670 PWs) bands (ev): -64.1192 -64.1192 -31.0882 -31.0882 -30.8112 -30.8112 -30.7935 -30.7935 12.1516 12.1516 12.6195 12.6195 13.2199 13.2199 18.9473 18.9473 39.4275 39.4275 k = 0.2269 0.3208 0.6124 ( 672 PWs) bands (ev): -64.1192 -64.1192 -31.0884 -31.0884 -30.8132 -30.8132 -30.7910 -30.7910 12.0298 12.0298 12.5946 12.5946 13.3651 13.3651 18.9928 18.9928 39.3019 39.3019 k = 0.2222 0.3143 0.6124 ( 672 PWs) bands (ev): -64.1192 -64.1192 -31.0887 -31.0887 -30.8150 -30.8150 -30.7886 -30.7886 11.9106 11.9106 12.5647 12.5647 13.5129 13.5129 19.0478 19.0478 39.1572 39.1572 k = 0.2176 0.3077 0.6124 ( 672 PWs) bands (ev): -64.1192 -64.1192 -31.0890 -31.0890 -30.8168 -30.8168 -30.7861 -30.7861 11.7940 11.7940 12.5302 12.5302 13.6634 13.6634 19.1121 19.1121 38.9965 38.9965 k = 0.2130 0.3012 0.6124 ( 676 PWs) bands (ev): -64.1193 -64.1193 -31.0894 -31.0894 -30.8186 -30.8186 -30.7836 -30.7836 11.6798 11.6798 12.4913 12.4913 13.8164 13.8164 19.1852 19.1852 38.8221 38.8221 k = 0.2083 0.2946 0.6124 ( 676 PWs) bands (ev): -64.1193 -64.1193 -31.0898 -31.0898 -30.8202 -30.8202 -30.7811 -30.7811 11.5683 11.5683 12.4485 12.4485 13.9721 13.9721 19.2669 19.2669 38.6368 38.6368 k = 0.2037 0.2881 0.6124 ( 676 PWs) bands (ev): -64.1194 -64.1194 -31.0903 -31.0903 -30.8218 -30.8218 -30.7785 -30.7785 11.4594 11.4594 12.4021 12.4021 14.1305 14.1305 19.3567 19.3567 38.4422 38.4422 k = 0.1991 0.2815 0.6124 ( 676 PWs) bands (ev): -64.1194 -64.1194 -31.0907 -31.0907 -30.8233 -30.8233 -30.7760 -30.7760 11.3530 11.3530 12.3524 12.3524 14.2915 14.2915 19.4543 19.4543 38.2396 38.2396 k = 0.1944 0.2750 0.6124 ( 676 PWs) bands (ev): -64.1195 -64.1195 -31.0913 -31.0913 -30.8246 -30.8246 -30.7734 -30.7734 11.2492 11.2492 12.3000 12.3000 14.4551 14.4551 19.5593 19.5593 38.0304 38.0304 k = 0.1898 0.2684 0.6124 ( 676 PWs) bands (ev): -64.1196 -64.1196 -31.0919 -31.0919 -30.8259 -30.8259 -30.7708 -30.7708 11.1479 11.1479 12.2450 12.2450 14.6213 14.6213 19.6713 19.6713 37.8156 37.8156 k = 0.1852 0.2619 0.6124 ( 676 PWs) bands (ev): -64.1196 -64.1196 -31.0925 -31.0925 -30.8272 -30.8272 -30.7683 -30.7683 11.0492 11.0492 12.1879 12.1879 14.7901 14.7901 19.7899 19.7899 37.5959 37.5959 k = 0.1806 0.2553 0.6124 ( 672 PWs) bands (ev): -64.1197 -64.1197 -31.0931 -31.0931 -30.8282 -30.8282 -30.7657 -30.7657 10.9530 10.9530 12.1292 12.1292 14.9616 14.9616 19.9150 19.9150 37.3739 37.3739 k = 0.1759 0.2488 0.6124 ( 672 PWs) bands (ev): -64.1198 -64.1198 -31.0938 -31.0938 -30.8293 -30.8293 -30.7631 -30.7631 10.8593 10.8593 12.0690 12.0690 15.1356 15.1356 20.0458 20.0458 37.1465 37.1465 k = 0.1713 0.2422 0.6124 ( 672 PWs) bands (ev): -64.1198 -64.1198 -31.0945 -31.0945 -30.8302 -30.8302 -30.7606 -30.7606 10.7682 10.7682 12.0076 12.0076 15.3122 15.3122 20.1823 20.1823 36.8978 36.8978 k = 0.1667 0.2357 0.6124 ( 668 PWs) bands (ev): -64.1199 -64.1199 -31.0952 -31.0952 -30.8310 -30.8310 -30.7580 -30.7580 10.6797 10.6797 11.9454 11.9454 15.4914 15.4914 20.3241 20.3241 36.5259 36.5259 k = 0.1620 0.2292 0.6124 ( 672 PWs) bands (ev): -64.1200 -64.1200 -31.0961 -31.0961 -30.8319 -30.8319 -30.7556 -30.7556 10.5936 10.5936 11.8825 11.8825 15.6732 15.6732 20.4707 20.4707 36.1543 36.1543 k = 0.1574 0.2226 0.6124 ( 672 PWs) bands (ev): -64.1201 -64.1201 -31.0969 -31.0969 -30.8326 -30.8326 -30.7531 -30.7531 10.5100 10.5100 11.8194 11.8194 15.8575 15.8575 20.6222 20.6222 35.7838 35.7838 k = 0.1528 0.2161 0.6124 ( 672 PWs) bands (ev): -64.1202 -64.1202 -31.0977 -31.0977 -30.8332 -30.8332 -30.7506 -30.7506 10.4288 10.4288 11.7563 11.7563 16.0444 16.0444 20.7781 20.7781 35.4147 35.4147 k = 0.1481 0.2095 0.6124 ( 670 PWs) bands (ev): -64.1203 -64.1203 -31.0986 -31.0986 -30.8337 -30.8337 -30.7482 -30.7482 10.3502 10.3502 11.6934 11.6934 16.2338 16.2338 20.9384 20.9384 35.0476 35.0476 k = 0.1435 0.2030 0.6124 ( 674 PWs) bands (ev): -64.1204 -64.1204 -31.0995 -31.0995 -30.8342 -30.8342 -30.7459 -30.7459 10.2740 10.2740 11.6308 11.6308 16.4256 16.4256 21.1024 21.1024 34.6821 34.6821 k = 0.1389 0.1964 0.6124 ( 674 PWs) bands (ev): -64.1205 -64.1205 -31.1004 -31.1004 -30.8346 -30.8346 -30.7435 -30.7435 10.2004 10.2004 11.5688 11.5688 16.6200 16.6200 21.2703 21.2703 34.3186 34.3186 k = 0.1343 0.1899 0.6124 ( 674 PWs) bands (ev): -64.1206 -64.1206 -31.1014 -31.1014 -30.8350 -30.8350 -30.7412 -30.7412 10.1292 10.1292 11.5076 11.5076 16.8167 16.8167 21.4419 21.4419 33.9574 33.9574 k = 0.1296 0.1833 0.6124 ( 674 PWs) bands (ev): -64.1207 -64.1207 -31.1023 -31.1023 -30.8352 -30.8352 -30.7390 -30.7390 10.0604 10.0604 11.4473 11.4473 17.0159 17.0159 21.6168 21.6168 33.5987 33.5987 k = 0.1250 0.1768 0.6124 ( 666 PWs) bands (ev): -64.1207 -64.1207 -31.1032 -31.1032 -30.8353 -30.8353 -30.7367 -30.7367 9.9944 9.9944 11.3881 11.3881 17.2174 17.2174 21.7951 21.7951 33.2436 33.2436 k = 0.1204 0.1702 0.6124 ( 666 PWs) bands (ev): -64.1208 -64.1208 -31.1041 -31.1041 -30.8355 -30.8355 -30.7345 -30.7345 9.9306 9.9306 11.3301 11.3301 17.4213 17.4213 21.9762 21.9762 32.8902 32.8902 k = 0.1157 0.1637 0.6124 ( 666 PWs) bands (ev): -64.1209 -64.1209 -31.1051 -31.1051 -30.8356 -30.8356 -30.7324 -30.7324 9.8693 9.8693 11.2734 11.2734 17.6273 17.6273 22.1602 22.1602 32.5398 32.5398 k = 0.1111 0.1571 0.6124 ( 666 PWs) bands (ev): -64.1210 -64.1210 -31.1060 -31.1060 -30.8356 -30.8356 -30.7304 -30.7304 9.8104 9.8104 11.2181 11.2181 17.8356 17.8356 22.3468 22.3468 32.1925 32.1925 k = 0.1065 0.1506 0.6124 ( 664 PWs) bands (ev): -64.1211 -64.1211 -31.1069 -31.1069 -30.8356 -30.8356 -30.7284 -30.7284 9.7539 9.7539 11.1645 11.1645 18.0459 18.0459 22.5360 22.5360 31.8483 31.8483 k = 0.1019 0.1440 0.6124 ( 664 PWs) bands (ev): -64.1212 -64.1212 -31.1079 -31.1079 -30.8355 -30.8355 -30.7265 -30.7265 9.6999 9.6999 11.1125 11.1125 18.2582 18.2582 22.7275 22.7275 31.5076 31.5076 k = 0.0972 0.1375 0.6124 ( 664 PWs) bands (ev): -64.1213 -64.1213 -31.1088 -31.1088 -30.8354 -30.8354 -30.7247 -30.7247 9.6483 9.6483 11.0622 11.0622 18.4725 18.4725 22.9210 22.9210 31.1704 31.1704 k = 0.0926 0.1309 0.6124 ( 664 PWs) bands (ev): -64.1214 -64.1214 -31.1097 -31.1097 -30.8353 -30.8353 -30.7229 -30.7229 9.5992 9.5992 11.0139 11.0139 18.6884 18.6884 23.1166 23.1166 30.8369 30.8369 k = 0.0880 0.1244 0.6124 ( 664 PWs) bands (ev): -64.1215 -64.1215 -31.1106 -31.1106 -30.8352 -30.8352 -30.7212 -30.7212 9.5525 9.5525 10.9674 10.9674 18.9060 18.9060 23.3140 23.3140 30.5073 30.5073 k = 0.0833 0.1179 0.6124 ( 672 PWs) bands (ev): -64.1216 -64.1216 -31.1115 -31.1115 -30.8351 -30.8351 -30.7196 -30.7196 9.5080 9.5080 10.9228 10.9228 19.1247 19.1247 23.5123 23.5123 30.1819 30.1819 k = 0.0787 0.1113 0.6124 ( 666 PWs) bands (ev): -64.1216 -64.1216 -31.1123 -31.1123 -30.8349 -30.8349 -30.7180 -30.7180 9.4662 9.4662 10.8804 10.8804 19.3448 19.3448 23.7129 23.7129 29.8612 29.8612 k = 0.0741 0.1048 0.6124 ( 666 PWs) bands (ev): -64.1217 -64.1217 -31.1131 -31.1131 -30.8347 -30.8347 -30.7165 -30.7165 9.4268 9.4268 10.8401 10.8401 19.5658 19.5658 23.9143 23.9143 29.5449 29.5449 k = 0.0694 0.0982 0.6124 ( 666 PWs) bands (ev): -64.1218 -64.1218 -31.1139 -31.1139 -30.8344 -30.8344 -30.7151 -30.7151 9.3897 9.3897 10.8020 10.8020 19.7874 19.7874 24.1166 24.1166 29.2338 29.2338 k = 0.0648 0.0917 0.6124 ( 666 PWs) bands (ev): -64.1219 -64.1219 -31.1146 -31.1146 -30.8342 -30.8342 -30.7138 -30.7138 9.3550 9.3550 10.7661 10.7661 20.0091 20.0091 24.3194 24.3194 28.9282 28.9282 k = 0.0602 0.0851 0.6124 ( 666 PWs) bands (ev): -64.1219 -64.1219 -31.1153 -31.1153 -30.8340 -30.8340 -30.7126 -30.7126 9.3228 9.3228 10.7326 10.7326 20.2304 20.2304 24.5223 24.5223 28.6287 28.6287 k = 0.0556 0.0786 0.6124 ( 666 PWs) bands (ev): -64.1220 -64.1220 -31.1160 -31.1160 -30.8338 -30.8338 -30.7115 -30.7115 9.2929 9.2929 10.7013 10.7013 20.4506 20.4506 24.7249 24.7249 28.3360 28.3360 k = 0.0509 0.0720 0.6124 ( 670 PWs) bands (ev): -64.1221 -64.1221 -31.1167 -31.1167 -30.8336 -30.8336 -30.7104 -30.7104 9.2655 9.2655 10.6724 10.6724 20.6687 20.6687 24.9261 24.9261 28.0510 28.0510 k = 0.0463 0.0655 0.6124 ( 666 PWs) bands (ev): -64.1221 -64.1221 -31.1172 -31.1172 -30.8334 -30.8334 -30.7094 -30.7094 9.2406 9.2406 10.6459 10.6459 20.8841 20.8841 25.1265 25.1265 27.7747 27.7747 k = 0.0417 0.0589 0.6124 ( 666 PWs) bands (ev): -64.1221 -64.1221 -31.1177 -31.1177 -30.8332 -30.8332 -30.7085 -30.7085 9.2179 9.2179 10.6218 10.6218 21.0953 21.0953 25.3239 25.3239 27.5083 27.5083 k = 0.0370 0.0524 0.6124 ( 666 PWs) bands (ev): -64.1222 -64.1222 -31.1182 -31.1182 -30.8330 -30.8330 -30.7078 -30.7078 9.1976 9.1976 10.6002 10.6002 21.3004 21.3004 25.5174 25.5174 27.2538 27.2538 k = 0.0324 0.0458 0.6124 ( 666 PWs) bands (ev): -64.1222 -64.1222 -31.1186 -31.1186 -30.8328 -30.8328 -30.7070 -30.7070 9.1797 9.1797 10.5811 10.5811 21.4972 21.4972 25.7053 25.7053 27.0133 27.0133 k = 0.0278 0.0393 0.6124 ( 666 PWs) bands (ev): -64.1223 -64.1223 -31.1190 -31.1190 -30.8327 -30.8327 -30.7064 -30.7064 9.1643 9.1643 10.5645 10.5645 21.6830 21.6830 25.8852 25.8852 26.7898 26.7898 k = 0.0231 0.0327 0.6124 ( 666 PWs) bands (ev): -64.1223 -64.1223 -31.1193 -31.1193 -30.8325 -30.8325 -30.7059 -30.7059 9.1511 9.1511 10.5504 10.5504 21.8539 21.8539 26.0539 26.0539 26.5869 26.5869 k = 0.0185 0.0262 0.6124 ( 666 PWs) bands (ev): -64.1223 -64.1223 -31.1195 -31.1195 -30.8324 -30.8324 -30.7055 -30.7055 9.1404 9.1404 10.5389 10.5389 22.0056 22.0056 26.2067 26.2067 26.4094 26.4094 k = 0.0139 0.0196 0.6124 ( 666 PWs) bands (ev): -64.1223 -64.1223 -31.1197 -31.1197 -30.8324 -30.8324 -30.7052 -30.7052 9.1321 9.1321 10.5299 10.5299 22.1326 22.1326 26.2599 26.2599 26.3404 26.3404 k = 0.0093 0.0131 0.6124 ( 666 PWs) bands (ev): -64.1224 -64.1224 -31.1199 -31.1199 -30.8323 -30.8323 -30.7049 -30.7049 9.1262 9.1262 10.5234 10.5234 22.2292 22.2292 26.1499 26.1499 26.4422 26.4422 k = 0.0046 0.0065 0.6124 ( 674 PWs) bands (ev): -64.1224 -64.1224 -31.1201 -31.1201 -30.8323 -30.8323 -30.7048 -30.7048 9.1222 9.1222 10.5195 10.5195 22.2898 22.2898 26.0804 26.0804 26.5080 26.5080 k = 0.0000 0.0000 0.6124 ( 678 PWs) bands (ev): -64.1224 -64.1224 -31.1202 -31.1202 -30.8324 -30.8324 -30.7048 -30.7048 9.1209 9.1209 10.5183 10.5183 22.3103 22.3103 26.0566 26.0566 26.5305 26.5305 Writing output data file Mg.save init_run : 0.03s CPU 0.17s WALL ( 1 calls) electrons : 22.17s CPU 23.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 22.16s CPU 23.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 505 calls) cegterg : 20.32s CPU 20.87s WALL ( 507 calls) Called by sum_band: Called by *egterg: h_psi : 7.90s CPU 8.28s WALL ( 6585 calls) s_psi : 0.09s CPU 0.07s WALL ( 6585 calls) g_psi : 0.02s CPU 0.02s WALL ( 5573 calls) cdiaghg : 11.95s CPU 12.20s WALL ( 6078 calls) cegterg:over : 0.58s CPU 0.62s WALL ( 5573 calls) cegterg:upda : 0.36s CPU 0.50s WALL ( 5573 calls) cegterg:last : 0.21s CPU 0.22s WALL ( 1105 calls) cdiaghg:chol : 0.76s CPU 0.67s WALL ( 6078 calls) cdiaghg:inve : 0.12s CPU 0.14s WALL ( 6078 calls) cdiaghg:para : 0.77s CPU 0.90s WALL ( 12156 calls) Called by h_psi: h_psi:vloc : 7.54s CPU 7.94s WALL ( 6585 calls) h_psi:vnl : 0.34s CPU 0.33s WALL ( 6585 calls) add_vuspsi : 0.11s CPU 0.09s WALL ( 6585 calls) General routines calbec : 0.21s CPU 0.22s WALL ( 6585 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 7.19s CPU 7.51s WALL ( 278616 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 1010 calls) Parallel routines fft_scatter : 4.40s CPU 4.64s WALL ( 278639 calls) PWSCF : 28.79s CPU 57.06s WALL This run was terminated on: 20:45: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=