Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:37 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: ./HfH2.save/ 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 22 16 5 360 217 37 Max 23 17 6 361 231 39 Sum 817 583 181 12973 7999 1367 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.2111 a.u. unit-cell volume = 177.9966 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.211085 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.440124 celldm(5)= -0.440124 celldm(6)= -0.119752 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.119752 0.992804 0.000000 ) a(3) = ( -0.440124 -0.496402 0.748249 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.120620 0.668227 ) b(2) = ( 0.000000 1.007248 0.668227 ) b(3) = ( 0.000000 0.000000 1.336454 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) H 1.00 1.00790 H( 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= 506 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0000000 0.0000000 0.0104410), wk = 0.0019763 k( 3) = ( 0.0000000 0.0000000 0.0208821), wk = 0.0019763 k( 4) = ( 0.0000000 0.0000000 0.0313231), wk = 0.0019763 k( 5) = ( 0.0000000 0.0000000 0.0417642), wk = 0.0019763 k( 6) = ( 0.0000000 0.0000000 0.0522052), wk = 0.0019763 k( 7) = ( 0.0000000 0.0000000 0.0626463), wk = 0.0019763 k( 8) = ( 0.0000000 0.0000000 0.0730873), wk = 0.0019763 k( 9) = ( 0.0000000 0.0000000 0.0835284), wk = 0.0019763 k( 10) = ( 0.0000000 0.0000000 0.0939694), wk = 0.0019763 k( 11) = ( 0.0000000 0.0000000 0.1044105), wk = 0.0019763 k( 12) = ( 0.0000000 0.0000000 0.1148515), wk = 0.0019763 k( 13) = ( 0.0000000 0.0000000 0.1252926), wk = 0.0019763 k( 14) = ( 0.0000000 0.0000000 0.1357336), wk = 0.0019763 k( 15) = ( 0.0000000 0.0000000 0.1461747), wk = 0.0019763 k( 16) = ( 0.0000000 0.0000000 0.1566157), wk = 0.0019763 k( 17) = ( 0.0000000 0.0000000 0.1670568), wk = 0.0019763 k( 18) = ( 0.0000000 0.0000000 0.1774978), wk = 0.0019763 k( 19) = ( 0.0000000 0.0000000 0.1879389), wk = 0.0019763 k( 20) = ( 0.0000000 0.0000000 0.1983799), wk = 0.0019763 k( 21) = ( 0.0000000 0.0000000 0.2088209), wk = 0.0019763 k( 22) = ( 0.0000000 0.0000000 0.2192620), wk = 0.0019763 k( 23) = ( 0.0000000 0.0000000 0.2297030), wk = 0.0019763 k( 24) = ( 0.0000000 0.0000000 0.2401441), wk = 0.0019763 k( 25) = ( 0.0000000 0.0000000 0.2505851), wk = 0.0019763 k( 26) = ( 0.0000000 0.0000000 0.2610262), wk = 0.0019763 k( 27) = ( 0.0000000 0.0000000 0.2714672), wk = 0.0019763 k( 28) = ( 0.0000000 0.0000000 0.2819083), wk = 0.0019763 k( 29) = ( 0.0000000 0.0000000 0.2923493), wk = 0.0019763 k( 30) = ( 0.0000000 0.0000000 0.3027904), wk = 0.0019763 k( 31) = ( 0.0000000 0.0000000 0.3132314), wk = 0.0019763 k( 32) = ( 0.0000000 0.0000000 0.3236725), wk = 0.0019763 k( 33) = ( 0.0000000 0.0000000 0.3341135), wk = 0.0019763 k( 34) = ( 0.0000000 0.0000000 0.3445546), wk = 0.0019763 k( 35) = ( 0.0000000 0.0000000 0.3549956), wk = 0.0019763 k( 36) = ( 0.0000000 0.0000000 0.3654367), wk = 0.0019763 k( 37) = ( 0.0000000 0.0000000 0.3758777), wk = 0.0019763 k( 38) = ( 0.0000000 0.0000000 0.3863188), wk = 0.0019763 k( 39) = ( 0.0000000 0.0000000 0.3967598), wk = 0.0019763 k( 40) = ( 0.0000000 0.0000000 0.4072008), wk = 0.0019763 k( 41) = ( 0.0000000 0.0000000 0.4176419), wk = 0.0019763 k( 42) = ( 0.0000000 0.0000000 0.4280829), wk = 0.0019763 k( 43) = ( 0.0000000 0.0000000 0.4385240), wk = 0.0019763 k( 44) = ( 0.0000000 0.0000000 0.4489650), wk = 0.0019763 k( 45) = ( 0.0000000 0.0000000 0.4594061), wk = 0.0019763 k( 46) = ( 0.0000000 0.0000000 0.4698471), wk = 0.0019763 k( 47) = ( 0.0000000 0.0000000 0.4802882), wk = 0.0019763 k( 48) = ( 0.0000000 0.0000000 0.4907292), wk = 0.0019763 k( 49) = ( 0.0000000 0.0000000 0.5011703), wk = 0.0019763 k( 50) = ( 0.0000000 0.0000000 0.5116113), wk = 0.0019763 k( 51) = ( 0.0000000 0.0000000 0.5220524), wk = 0.0019763 k( 52) = ( 0.0000000 0.0000000 0.5324934), wk = 0.0019763 k( 53) = ( 0.0000000 0.0000000 0.5429345), wk = 0.0019763 k( 54) = ( 0.0000000 0.0000000 0.5533755), wk = 0.0019763 k( 55) = ( 0.0000000 0.0000000 0.5638166), wk = 0.0019763 k( 56) = ( 0.0000000 0.0000000 0.5742576), wk = 0.0019763 k( 57) = ( 0.0000000 0.0000000 0.5846987), wk = 0.0019763 k( 58) = ( 0.0000000 0.0000000 0.5951397), wk = 0.0019763 k( 59) = ( 0.0000000 0.0000000 0.6055807), wk = 0.0019763 k( 60) = ( 0.0000000 0.0000000 0.6160218), wk = 0.0019763 k( 61) = ( 0.0000000 0.0000000 0.6264628), wk = 0.0019763 k( 62) = ( 0.0000000 0.0000000 0.6369039), wk = 0.0019763 k( 63) = ( 0.0000000 0.0000000 0.6473449), wk = 0.0019763 k( 64) = ( 0.0000000 0.0000000 0.6577860), wk = 0.0019763 k( 65) = ( 0.0000000 0.0000000 0.6682270), wk = 0.0019763 k( 66) = ( 0.0000000 0.0000000 0.6682270), wk = 0.0019763 k( 67) = ( -0.0077566 0.0068772 0.6682270), wk = 0.0019763 k( 68) = ( -0.0155133 0.0137545 0.6682270), wk = 0.0019763 k( 69) = ( -0.0232699 0.0206317 0.6682270), wk = 0.0019763 k( 70) = ( -0.0310265 0.0275090 0.6682270), wk = 0.0019763 k( 71) = ( -0.0387832 0.0343862 0.6682270), wk = 0.0019763 k( 72) = ( -0.0465398 0.0412635 0.6682270), wk = 0.0019763 k( 73) = ( -0.0542964 0.0481407 0.6682270), wk = 0.0019763 k( 74) = ( -0.0620530 0.0550180 0.6682270), wk = 0.0019763 k( 75) = ( -0.0698097 0.0618952 0.6682270), wk = 0.0019763 k( 76) = ( -0.0775663 0.0687725 0.6682270), wk = 0.0019763 k( 77) = ( -0.0853229 0.0756497 0.6682270), wk = 0.0019763 k( 78) = ( -0.0930796 0.0825270 0.6682270), wk = 0.0019763 k( 79) = ( -0.1008362 0.0894042 0.6682270), wk = 0.0019763 k( 80) = ( -0.1085928 0.0962815 0.6682270), wk = 0.0019763 k( 81) = ( -0.1163495 0.1031587 0.6682270), wk = 0.0019763 k( 82) = ( -0.1241061 0.1100360 0.6682270), wk = 0.0019763 k( 83) = ( -0.1318627 0.1169132 0.6682270), wk = 0.0019763 k( 84) = ( -0.1396194 0.1237905 0.6682270), wk = 0.0019763 k( 85) = ( -0.1473760 0.1306677 0.6682270), wk = 0.0019763 k( 86) = ( -0.1551326 0.1375449 0.6682270), wk = 0.0019763 k( 87) = ( -0.1628893 0.1444222 0.6682270), wk = 0.0019763 k( 88) = ( -0.1706459 0.1512994 0.6682270), wk = 0.0019763 k( 89) = ( -0.1784025 0.1581767 0.6682270), wk = 0.0019763 k( 90) = ( -0.1861591 0.1650539 0.6682270), wk = 0.0019763 k( 91) = ( -0.1939158 0.1719312 0.6682270), wk = 0.0019763 k( 92) = ( -0.2016724 0.1788084 0.6682270), wk = 0.0019763 k( 93) = ( -0.2094290 0.1856857 0.6682270), wk = 0.0019763 k( 94) = ( -0.2171857 0.1925629 0.6682270), wk = 0.0019763 k( 95) = ( -0.2249423 0.1994402 0.6682270), wk = 0.0019763 k( 96) = ( -0.2326989 0.2063174 0.6682270), wk = 0.0019763 k( 97) = ( -0.2404556 0.2131947 0.6682270), wk = 0.0019763 k( 98) = ( -0.2482122 0.2200719 0.6682270), wk = 0.0019763 k( 99) = ( -0.2559688 0.2269492 0.6682270), wk = 0.0019763 k( 100) = ( -0.2637254 0.2338264 0.6682270), wk = 0.0019763 k( 101) = ( -0.2714821 0.2407037 0.6682270), wk = 0.0019763 k( 102) = ( -0.2792387 0.2475809 0.6682270), wk = 0.0019763 k( 103) = ( -0.2869953 0.2544582 0.6682270), wk = 0.0019763 k( 104) = ( -0.2947520 0.2613354 0.6682270), wk = 0.0019763 k( 105) = ( -0.3025086 0.2682126 0.6682270), wk = 0.0019763 k( 106) = ( -0.3102652 0.2750899 0.6682270), wk = 0.0019763 k( 107) = ( -0.3180219 0.2819671 0.6682270), wk = 0.0019763 k( 108) = ( -0.3180219 0.2819671 0.6682270), wk = 0.0019763 k( 109) = ( -0.3233742 0.2867126 0.6610739), wk = 0.0019763 k( 110) = ( -0.3287265 0.2914581 0.6539208), wk = 0.0019763 k( 111) = ( -0.3340788 0.2962036 0.6467677), wk = 0.0019763 k( 112) = ( -0.3394311 0.3009491 0.6396146), wk = 0.0019763 k( 113) = ( -0.3447834 0.3056946 0.6324615), wk = 0.0019763 k( 114) = ( -0.3501357 0.3104401 0.6253084), wk = 0.0019763 k( 115) = ( -0.3554880 0.3151856 0.6181553), wk = 0.0019763 k( 116) = ( -0.3608402 0.3199311 0.6110022), wk = 0.0019763 k( 117) = ( -0.3661926 0.3246766 0.6038491), wk = 0.0019763 k( 118) = ( -0.3715448 0.3294221 0.5966960), wk = 0.0019763 k( 119) = ( -0.3768972 0.3341676 0.5895429), wk = 0.0019763 k( 120) = ( -0.3822494 0.3389131 0.5823898), wk = 0.0019763 k( 121) = ( -0.3876017 0.3436586 0.5752367), wk = 0.0019763 k( 122) = ( -0.3929540 0.3484041 0.5680836), wk = 0.0019763 k( 123) = ( -0.3983063 0.3531496 0.5609305), wk = 0.0019763 k( 124) = ( -0.4036586 0.3578951 0.5537774), wk = 0.0019763 k( 125) = ( -0.4090109 0.3626406 0.5466243), wk = 0.0019763 k( 126) = ( -0.4090109 0.3626406 0.5466243), wk = 0.0019763 k( 127) = ( -0.4034838 0.3577401 0.5392375), wk = 0.0019763 k( 128) = ( -0.3979566 0.3528395 0.5318507), wk = 0.0019763 k( 129) = ( -0.3924294 0.3479390 0.5244639), wk = 0.0019763 k( 130) = ( -0.3869022 0.3430384 0.5170771), wk = 0.0019763 k( 131) = ( -0.3813751 0.3381379 0.5096902), wk = 0.0019763 k( 132) = ( -0.3758479 0.3332373 0.5023034), wk = 0.0019763 k( 133) = ( -0.3703207 0.3283368 0.4949166), wk = 0.0019763 k( 134) = ( -0.3647935 0.3234362 0.4875298), wk = 0.0019763 k( 135) = ( -0.3592664 0.3185357 0.4801430), wk = 0.0019763 k( 136) = ( -0.3537392 0.3136351 0.4727562), wk = 0.0019763 k( 137) = ( -0.3482120 0.3087346 0.4653694), wk = 0.0019763 k( 138) = ( -0.3426848 0.3038340 0.4579825), wk = 0.0019763 k( 139) = ( -0.3371577 0.2989335 0.4505957), wk = 0.0019763 k( 140) = ( -0.3316305 0.2940329 0.4432089), wk = 0.0019763 k( 141) = ( -0.3261033 0.2891324 0.4358221), wk = 0.0019763 k( 142) = ( -0.3205761 0.2842318 0.4284353), wk = 0.0019763 k( 143) = ( -0.3150490 0.2793313 0.4210485), wk = 0.0019763 k( 144) = ( -0.3095218 0.2744307 0.4136617), wk = 0.0019763 k( 145) = ( -0.3039946 0.2695302 0.4062748), wk = 0.0019763 k( 146) = ( -0.2984674 0.2646296 0.3988880), wk = 0.0019763 k( 147) = ( -0.2929403 0.2597291 0.3915012), wk = 0.0019763 k( 148) = ( -0.2874131 0.2548285 0.3841144), wk = 0.0019763 k( 149) = ( -0.2818859 0.2499280 0.3767276), wk = 0.0019763 k( 150) = ( -0.2763587 0.2450274 0.3693408), wk = 0.0019763 k( 151) = ( -0.2708316 0.2401269 0.3619539), wk = 0.0019763 k( 152) = ( -0.2653044 0.2352263 0.3545671), wk = 0.0019763 k( 153) = ( -0.2597772 0.2303258 0.3471803), wk = 0.0019763 k( 154) = ( -0.2542500 0.2254252 0.3397935), wk = 0.0019763 k( 155) = ( -0.2487229 0.2205247 0.3324067), wk = 0.0019763 k( 156) = ( -0.2431957 0.2156241 0.3250199), wk = 0.0019763 k( 157) = ( -0.2376685 0.2107236 0.3176331), wk = 0.0019763 k( 158) = ( -0.2321413 0.2058230 0.3102462), wk = 0.0019763 k( 159) = ( -0.2266142 0.2009225 0.3028594), wk = 0.0019763 k( 160) = ( -0.2210870 0.1960219 0.2954726), wk = 0.0019763 k( 161) = ( -0.2155598 0.1911214 0.2880858), wk = 0.0019763 k( 162) = ( -0.2100326 0.1862208 0.2806990), wk = 0.0019763 k( 163) = ( -0.2045055 0.1813203 0.2733122), wk = 0.0019763 k( 164) = ( -0.1989783 0.1764198 0.2659253), wk = 0.0019763 k( 165) = ( -0.1934511 0.1715192 0.2585385), wk = 0.0019763 k( 166) = ( -0.1879239 0.1666187 0.2511517), wk = 0.0019763 k( 167) = ( -0.1823968 0.1617181 0.2437649), wk = 0.0019763 k( 168) = ( -0.1768696 0.1568176 0.2363781), wk = 0.0019763 k( 169) = ( -0.1713424 0.1519170 0.2289913), wk = 0.0019763 k( 170) = ( -0.1658152 0.1470165 0.2216045), wk = 0.0019763 k( 171) = ( -0.1602881 0.1421159 0.2142176), wk = 0.0019763 k( 172) = ( -0.1547609 0.1372154 0.2068308), wk = 0.0019763 k( 173) = ( -0.1492337 0.1323148 0.1994440), wk = 0.0019763 k( 174) = ( -0.1437065 0.1274143 0.1920572), wk = 0.0019763 k( 175) = ( -0.1381794 0.1225137 0.1846704), wk = 0.0019763 k( 176) = ( -0.1326522 0.1176132 0.1772836), wk = 0.0019763 k( 177) = ( -0.1271250 0.1127126 0.1698967), wk = 0.0019763 k( 178) = ( -0.1215978 0.1078121 0.1625099), wk = 0.0019763 k( 179) = ( -0.1160707 0.1029115 0.1551231), wk = 0.0019763 k( 180) = ( -0.1105435 0.0980110 0.1477363), wk = 0.0019763 k( 181) = ( -0.1050163 0.0931104 0.1403495), wk = 0.0019763 k( 182) = ( -0.0994891 0.0882099 0.1329627), wk = 0.0019763 k( 183) = ( -0.0939620 0.0833093 0.1255759), wk = 0.0019763 k( 184) = ( -0.0884348 0.0784088 0.1181890), wk = 0.0019763 k( 185) = ( -0.0829076 0.0735082 0.1108022), wk = 0.0019763 k( 186) = ( -0.0773805 0.0686077 0.1034154), wk = 0.0019763 k( 187) = ( -0.0718533 0.0637071 0.0960286), wk = 0.0019763 k( 188) = ( -0.0663261 0.0588066 0.0886418), wk = 0.0019763 k( 189) = ( -0.0607989 0.0539060 0.0812550), wk = 0.0019763 k( 190) = ( -0.0552718 0.0490055 0.0738682), wk = 0.0019763 k( 191) = ( -0.0497446 0.0441049 0.0664813), wk = 0.0019763 k( 192) = ( -0.0442174 0.0392044 0.0590945), wk = 0.0019763 k( 193) = ( -0.0386902 0.0343038 0.0517077), wk = 0.0019763 k( 194) = ( -0.0331630 0.0294033 0.0443209), wk = 0.0019763 k( 195) = ( -0.0276359 0.0245027 0.0369341), wk = 0.0019763 k( 196) = ( -0.0221087 0.0196022 0.0295473), wk = 0.0019763 k( 197) = ( -0.0165815 0.0147016 0.0221604), wk = 0.0019763 k( 198) = ( -0.0110543 0.0098011 0.0147736), wk = 0.0019763 k( 199) = ( -0.0055272 0.0049005 0.0073868), wk = 0.0019763 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 202) = ( 0.0068493 0.0077251 -0.0000000), wk = 0.0019763 k( 203) = ( 0.0136986 0.0154503 -0.0000000), wk = 0.0019763 k( 204) = ( 0.0205479 0.0231754 -0.0000000), wk = 0.0019763 k( 205) = ( 0.0273973 0.0309005 -0.0000000), wk = 0.0019763 k( 206) = ( 0.0342466 0.0386256 -0.0000000), wk = 0.0019763 k( 207) = ( 0.0410959 0.0463508 -0.0000000), wk = 0.0019763 k( 208) = ( 0.0479452 0.0540759 -0.0000000), wk = 0.0019763 k( 209) = ( 0.0547945 0.0618010 -0.0000000), wk = 0.0019763 k( 210) = ( 0.0616438 0.0695261 -0.0000000), wk = 0.0019763 k( 211) = ( 0.0684932 0.0772513 -0.0000000), wk = 0.0019763 k( 212) = ( 0.0753425 0.0849764 -0.0000000), wk = 0.0019763 k( 213) = ( 0.0821918 0.0927015 -0.0000000), wk = 0.0019763 k( 214) = ( 0.0890411 0.1004267 -0.0000000), wk = 0.0019763 k( 215) = ( 0.0958904 0.1081518 -0.0000000), wk = 0.0019763 k( 216) = ( 0.1027397 0.1158769 -0.0000000), wk = 0.0019763 k( 217) = ( 0.1095890 0.1236020 -0.0000000), wk = 0.0019763 k( 218) = ( 0.1164384 0.1313272 -0.0000000), wk = 0.0019763 k( 219) = ( 0.1232877 0.1390523 -0.0000000), wk = 0.0019763 k( 220) = ( 0.1301370 0.1467774 -0.0000000), wk = 0.0019763 k( 221) = ( 0.1369863 0.1545025 -0.0000000), wk = 0.0019763 k( 222) = ( 0.1438356 0.1622277 -0.0000000), wk = 0.0019763 k( 223) = ( 0.1506849 0.1699528 -0.0000000), wk = 0.0019763 k( 224) = ( 0.1575342 0.1776779 -0.0000000), wk = 0.0019763 k( 225) = ( 0.1643836 0.1854030 -0.0000000), wk = 0.0019763 k( 226) = ( 0.1712329 0.1931282 -0.0000000), wk = 0.0019763 k( 227) = ( 0.1780822 0.2008533 -0.0000000), wk = 0.0019763 k( 228) = ( 0.1849315 0.2085784 -0.0000000), wk = 0.0019763 k( 229) = ( 0.1917808 0.2163036 -0.0000000), wk = 0.0019763 k( 230) = ( 0.1986301 0.2240287 -0.0000000), wk = 0.0019763 k( 231) = ( 0.2054795 0.2317538 -0.0000000), wk = 0.0019763 k( 232) = ( 0.2123288 0.2394789 -0.0000000), wk = 0.0019763 k( 233) = ( 0.2191781 0.2472041 -0.0000000), wk = 0.0019763 k( 234) = ( 0.2260274 0.2549292 -0.0000000), wk = 0.0019763 k( 235) = ( 0.2328767 0.2626543 -0.0000000), wk = 0.0019763 k( 236) = ( 0.2397260 0.2703795 -0.0000000), wk = 0.0019763 k( 237) = ( 0.2465753 0.2781046 -0.0000000), wk = 0.0019763 k( 238) = ( 0.2534247 0.2858297 -0.0000000), wk = 0.0019763 k( 239) = ( 0.2602740 0.2935548 -0.0000000), wk = 0.0019763 k( 240) = ( 0.2671233 0.3012800 -0.0000000), wk = 0.0019763 k( 241) = ( 0.2739726 0.3090051 -0.0000000), wk = 0.0019763 k( 242) = ( 0.2808219 0.3167302 -0.0000000), wk = 0.0019763 k( 243) = ( 0.2876712 0.3244553 -0.0000000), wk = 0.0019763 k( 244) = ( 0.2945205 0.3321805 -0.0000000), wk = 0.0019763 k( 245) = ( 0.3013699 0.3399056 -0.0000000), wk = 0.0019763 k( 246) = ( 0.3082192 0.3476307 -0.0000000), wk = 0.0019763 k( 247) = ( 0.3150685 0.3553558 -0.0000000), wk = 0.0019763 k( 248) = ( 0.3219178 0.3630810 -0.0000000), wk = 0.0019763 k( 249) = ( 0.3287671 0.3708061 -0.0000000), wk = 0.0019763 k( 250) = ( 0.3356164 0.3785312 -0.0000000), wk = 0.0019763 k( 251) = ( 0.3424658 0.3862564 -0.0000000), wk = 0.0019763 k( 252) = ( 0.3493151 0.3939815 -0.0000000), wk = 0.0019763 k( 253) = ( 0.3561644 0.4017066 -0.0000000), wk = 0.0019763 k( 254) = ( 0.3630137 0.4094317 -0.0000000), wk = 0.0019763 k( 255) = ( 0.3698630 0.4171569 -0.0000000), wk = 0.0019763 k( 256) = ( 0.3767123 0.4248820 -0.0000000), wk = 0.0019763 k( 257) = ( 0.3835616 0.4326071 -0.0000000), wk = 0.0019763 k( 258) = ( 0.3904110 0.4403322 -0.0000000), wk = 0.0019763 k( 259) = ( 0.3972603 0.4480574 -0.0000000), wk = 0.0019763 k( 260) = ( 0.4041096 0.4557825 -0.0000000), wk = 0.0019763 k( 261) = ( 0.4109589 0.4635076 -0.0000000), wk = 0.0019763 k( 262) = ( 0.4178082 0.4712328 -0.0000000), wk = 0.0019763 k( 263) = ( 0.4246575 0.4789579 -0.0000000), wk = 0.0019763 k( 264) = ( 0.4315068 0.4866830 -0.0000000), wk = 0.0019763 k( 265) = ( 0.4383562 0.4944081 -0.0000000), wk = 0.0019763 k( 266) = ( 0.4452055 0.5021333 -0.0000000), wk = 0.0019763 k( 267) = ( 0.4520548 0.5098584 -0.0000000), wk = 0.0019763 k( 268) = ( 0.4589041 0.5175835 -0.0000000), wk = 0.0019763 k( 269) = ( 0.4657534 0.5253086 -0.0000000), wk = 0.0019763 k( 270) = ( 0.4726027 0.5330338 -0.0000000), wk = 0.0019763 k( 271) = ( 0.4794521 0.5407589 -0.0000000), wk = 0.0019763 k( 272) = ( 0.4863014 0.5484840 -0.0000000), wk = 0.0019763 k( 273) = ( 0.4931507 0.5562091 -0.0000000), wk = 0.0019763 k( 274) = ( 0.5000000 0.5639343 -0.0000000), wk = 0.0019763 k( 275) = ( 0.5000000 0.5639343 -0.0000000), wk = 0.0019763 k( 276) = ( 0.4946477 0.5686798 0.0071531), wk = 0.0019763 k( 277) = ( 0.4892954 0.5734253 0.0143062), wk = 0.0019763 k( 278) = ( 0.4839431 0.5781708 0.0214593), wk = 0.0019763 k( 279) = ( 0.4785908 0.5829163 0.0286124), wk = 0.0019763 k( 280) = ( 0.4732385 0.5876618 0.0357655), wk = 0.0019763 k( 281) = ( 0.4678862 0.5924073 0.0429186), wk = 0.0019763 k( 282) = ( 0.4625339 0.5971528 0.0500717), wk = 0.0019763 k( 283) = ( 0.4571816 0.6018983 0.0572248), wk = 0.0019763 k( 284) = ( 0.4518293 0.6066438 0.0643779), wk = 0.0019763 k( 285) = ( 0.4464770 0.6113893 0.0715310), wk = 0.0019763 k( 286) = ( 0.4411247 0.6161348 0.0786841), wk = 0.0019763 k( 287) = ( 0.4357724 0.6208803 0.0858372), wk = 0.0019763 k( 288) = ( 0.4304201 0.6256257 0.0929903), wk = 0.0019763 k( 289) = ( 0.4250678 0.6303712 0.1001434), wk = 0.0019763 k( 290) = ( 0.4197155 0.6351167 0.1072965), wk = 0.0019763 k( 291) = ( 0.4143632 0.6398622 0.1144496), wk = 0.0019763 k( 292) = ( 0.4090109 0.6446077 0.1216027), wk = 0.0019763 k( 293) = ( 0.4090109 0.6446077 0.1216027), wk = 0.0019763 k( 294) = ( 0.4003086 0.6416081 0.1261242), wk = 0.0019763 k( 295) = ( 0.3916062 0.6386084 0.1306457), wk = 0.0019763 k( 296) = ( 0.3829038 0.6356088 0.1351672), wk = 0.0019763 k( 297) = ( 0.3742015 0.6326091 0.1396887), wk = 0.0019763 k( 298) = ( 0.3654991 0.6296095 0.1442102), wk = 0.0019763 k( 299) = ( 0.3567968 0.6266098 0.1487317), wk = 0.0019763 k( 300) = ( 0.3480944 0.6236102 0.1532533), wk = 0.0019763 k( 301) = ( 0.3393921 0.6206105 0.1577748), wk = 0.0019763 k( 302) = ( 0.3306897 0.6176109 0.1622963), wk = 0.0019763 k( 303) = ( 0.3219873 0.6146112 0.1668178), wk = 0.0019763 k( 304) = ( 0.3132850 0.6116116 0.1713393), wk = 0.0019763 k( 305) = ( 0.3045826 0.6086119 0.1758608), wk = 0.0019763 k( 306) = ( 0.2958803 0.6056123 0.1803823), wk = 0.0019763 k( 307) = ( 0.2871779 0.6026126 0.1849038), wk = 0.0019763 k( 308) = ( 0.2784755 0.5996130 0.1894253), wk = 0.0019763 k( 309) = ( 0.2697732 0.5966133 0.1939468), wk = 0.0019763 k( 310) = ( 0.2610708 0.5936137 0.1984683), wk = 0.0019763 k( 311) = ( 0.2523685 0.5906140 0.2029898), wk = 0.0019763 k( 312) = ( 0.2436661 0.5876144 0.2075113), wk = 0.0019763 k( 313) = ( 0.2349637 0.5846147 0.2120328), wk = 0.0019763 k( 314) = ( 0.2262614 0.5816151 0.2165543), wk = 0.0019763 k( 315) = ( 0.2175590 0.5786154 0.2210759), wk = 0.0019763 k( 316) = ( 0.2088567 0.5756158 0.2255974), wk = 0.0019763 k( 317) = ( 0.2001543 0.5726161 0.2301189), wk = 0.0019763 k( 318) = ( 0.1914519 0.5696165 0.2346404), wk = 0.0019763 k( 319) = ( 0.1827496 0.5666168 0.2391619), wk = 0.0019763 k( 320) = ( 0.1740472 0.5636172 0.2436834), wk = 0.0019763 k( 321) = ( 0.1653448 0.5606175 0.2482049), wk = 0.0019763 k( 322) = ( 0.1566425 0.5576179 0.2527264), wk = 0.0019763 k( 323) = ( 0.1479401 0.5546182 0.2572479), wk = 0.0019763 k( 324) = ( 0.1392378 0.5516186 0.2617694), wk = 0.0019763 k( 325) = ( 0.1305354 0.5486189 0.2662909), wk = 0.0019763 k( 326) = ( 0.1218330 0.5456193 0.2708124), wk = 0.0019763 k( 327) = ( 0.1131307 0.5426196 0.2753339), wk = 0.0019763 k( 328) = ( 0.1044283 0.5396200 0.2798554), wk = 0.0019763 k( 329) = ( 0.0957260 0.5366203 0.2843769), wk = 0.0019763 k( 330) = ( 0.0870236 0.5336207 0.2888985), wk = 0.0019763 k( 331) = ( 0.0783212 0.5306210 0.2934200), wk = 0.0019763 k( 332) = ( 0.0696189 0.5276214 0.2979415), wk = 0.0019763 k( 333) = ( 0.0609165 0.5246217 0.3024630), wk = 0.0019763 k( 334) = ( 0.0522142 0.5216221 0.3069845), wk = 0.0019763 k( 335) = ( 0.0435118 0.5186224 0.3115060), wk = 0.0019763 k( 336) = ( 0.0348094 0.5156228 0.3160275), wk = 0.0019763 k( 337) = ( 0.0261071 0.5126231 0.3205490), wk = 0.0019763 k( 338) = ( 0.0174047 0.5096235 0.3250705), wk = 0.0019763 k( 339) = ( 0.0087024 0.5066238 0.3295920), wk = 0.0019763 k( 340) = ( 0.0000000 0.5036242 0.3341135), wk = 0.0019763 k( 341) = ( 0.0000000 0.5036242 0.3341135), wk = 0.0019763 k( 342) = ( 0.0054348 0.4988055 0.3413768), wk = 0.0019763 k( 343) = ( 0.0108696 0.4939869 0.3486402), wk = 0.0019763 k( 344) = ( 0.0163043 0.4891683 0.3559035), wk = 0.0019763 k( 345) = ( 0.0217391 0.4843496 0.3631669), wk = 0.0019763 k( 346) = ( 0.0271739 0.4795310 0.3704302), wk = 0.0019763 k( 347) = ( 0.0326087 0.4747124 0.3776935), wk = 0.0019763 k( 348) = ( 0.0380435 0.4698938 0.3849569), wk = 0.0019763 k( 349) = ( 0.0434783 0.4650751 0.3922202), wk = 0.0019763 k( 350) = ( 0.0489130 0.4602565 0.3994835), wk = 0.0019763 k( 351) = ( 0.0543478 0.4554379 0.4067469), wk = 0.0019763 k( 352) = ( 0.0597826 0.4506192 0.4140102), wk = 0.0019763 k( 353) = ( 0.0652174 0.4458006 0.4212736), wk = 0.0019763 k( 354) = ( 0.0706522 0.4409820 0.4285369), wk = 0.0019763 k( 355) = ( 0.0760870 0.4361633 0.4358002), wk = 0.0019763 k( 356) = ( 0.0815217 0.4313447 0.4430636), wk = 0.0019763 k( 357) = ( 0.0869565 0.4265261 0.4503269), wk = 0.0019763 k( 358) = ( 0.0923913 0.4217074 0.4575902), wk = 0.0019763 k( 359) = ( 0.0978261 0.4168888 0.4648536), wk = 0.0019763 k( 360) = ( 0.1032609 0.4120702 0.4721169), wk = 0.0019763 k( 361) = ( 0.1086957 0.4072516 0.4793803), wk = 0.0019763 k( 362) = ( 0.1141304 0.4024329 0.4866436), wk = 0.0019763 k( 363) = ( 0.1195652 0.3976143 0.4939069), wk = 0.0019763 k( 364) = ( 0.1250000 0.3927957 0.5011703), wk = 0.0019763 k( 365) = ( 0.1304348 0.3879770 0.5084336), wk = 0.0019763 k( 366) = ( 0.1358696 0.3831584 0.5156970), wk = 0.0019763 k( 367) = ( 0.1413043 0.3783398 0.5229603), wk = 0.0019763 k( 368) = ( 0.1467391 0.3735211 0.5302236), wk = 0.0019763 k( 369) = ( 0.1521739 0.3687025 0.5374870), wk = 0.0019763 k( 370) = ( 0.1576087 0.3638839 0.5447503), wk = 0.0019763 k( 371) = ( 0.1630435 0.3590652 0.5520136), wk = 0.0019763 k( 372) = ( 0.1684783 0.3542466 0.5592770), wk = 0.0019763 k( 373) = ( 0.1739130 0.3494280 0.5665403), wk = 0.0019763 k( 374) = ( 0.1793478 0.3446093 0.5738037), wk = 0.0019763 k( 375) = ( 0.1847826 0.3397907 0.5810670), wk = 0.0019763 k( 376) = ( 0.1902174 0.3349721 0.5883303), wk = 0.0019763 k( 377) = ( 0.1956522 0.3301535 0.5955937), wk = 0.0019763 k( 378) = ( 0.2010870 0.3253348 0.6028570), wk = 0.0019763 k( 379) = ( 0.2065217 0.3205162 0.6101203), wk = 0.0019763 k( 380) = ( 0.2119565 0.3156976 0.6173837), wk = 0.0019763 k( 381) = ( 0.2173913 0.3108789 0.6246470), wk = 0.0019763 k( 382) = ( 0.2228261 0.3060603 0.6319103), wk = 0.0019763 k( 383) = ( 0.2282609 0.3012417 0.6391737), wk = 0.0019763 k( 384) = ( 0.2336957 0.2964230 0.6464370), wk = 0.0019763 k( 385) = ( 0.2391304 0.2916044 0.6537003), wk = 0.0019763 k( 386) = ( 0.2445652 0.2867858 0.6609637), wk = 0.0019763 k( 387) = ( 0.2500000 0.2819671 0.6682270), wk = 0.0019763 k( 388) = ( 0.2500000 0.2819671 0.6682270), wk = 0.0019763 k( 389) = ( 0.2545455 0.2870938 0.6604994), wk = 0.0019763 k( 390) = ( 0.2590909 0.2922205 0.6527717), wk = 0.0019763 k( 391) = ( 0.2636364 0.2973472 0.6450440), wk = 0.0019763 k( 392) = ( 0.2681818 0.3024738 0.6373164), wk = 0.0019763 k( 393) = ( 0.2727273 0.3076005 0.6295887), wk = 0.0019763 k( 394) = ( 0.2772727 0.3127272 0.6218610), wk = 0.0019763 k( 395) = ( 0.2818182 0.3178539 0.6141334), wk = 0.0019763 k( 396) = ( 0.2863636 0.3229805 0.6064057), wk = 0.0019763 k( 397) = ( 0.2909091 0.3281072 0.5986780), wk = 0.0019763 k( 398) = ( 0.2954545 0.3332339 0.5909504), wk = 0.0019763 k( 399) = ( 0.3000000 0.3383606 0.5832227), wk = 0.0019763 k( 400) = ( 0.3045454 0.3434872 0.5754950), wk = 0.0019763 k( 401) = ( 0.3090909 0.3486139 0.5677674), wk = 0.0019763 k( 402) = ( 0.3136364 0.3537406 0.5600397), wk = 0.0019763 k( 403) = ( 0.3181818 0.3588673 0.5523120), wk = 0.0019763 k( 404) = ( 0.3227273 0.3639939 0.5445844), wk = 0.0019763 k( 405) = ( 0.3272727 0.3691206 0.5368567), wk = 0.0019763 k( 406) = ( 0.3318182 0.3742473 0.5291290), wk = 0.0019763 k( 407) = ( 0.3363636 0.3793740 0.5214014), wk = 0.0019763 k( 408) = ( 0.3409091 0.3845006 0.5136737), wk = 0.0019763 k( 409) = ( 0.3454546 0.3896273 0.5059461), wk = 0.0019763 k( 410) = ( 0.3500000 0.3947540 0.4982184), wk = 0.0019763 k( 411) = ( 0.3545454 0.3998807 0.4904907), wk = 0.0019763 k( 412) = ( 0.3590909 0.4050073 0.4827631), wk = 0.0019763 k( 413) = ( 0.3636364 0.4101340 0.4750354), wk = 0.0019763 k( 414) = ( 0.3681818 0.4152607 0.4673077), wk = 0.0019763 k( 415) = ( 0.3727273 0.4203874 0.4595801), wk = 0.0019763 k( 416) = ( 0.3772727 0.4255140 0.4518524), wk = 0.0019763 k( 417) = ( 0.3818182 0.4306407 0.4441247), wk = 0.0019763 k( 418) = ( 0.3863636 0.4357674 0.4363971), wk = 0.0019763 k( 419) = ( 0.3909091 0.4408941 0.4286694), wk = 0.0019763 k( 420) = ( 0.3954546 0.4460208 0.4209417), wk = 0.0019763 k( 421) = ( 0.4000000 0.4511474 0.4132141), wk = 0.0019763 k( 422) = ( 0.4045454 0.4562741 0.4054864), wk = 0.0019763 k( 423) = ( 0.4090909 0.4614008 0.3977587), wk = 0.0019763 k( 424) = ( 0.4136364 0.4665274 0.3900311), wk = 0.0019763 k( 425) = ( 0.4181818 0.4716541 0.3823034), wk = 0.0019763 k( 426) = ( 0.4227273 0.4767808 0.3745757), wk = 0.0019763 k( 427) = ( 0.4272727 0.4819075 0.3668481), wk = 0.0019763 k( 428) = ( 0.4318182 0.4870341 0.3591204), wk = 0.0019763 k( 429) = ( 0.4363636 0.4921608 0.3513927), wk = 0.0019763 k( 430) = ( 0.4409091 0.4972875 0.3436651), wk = 0.0019763 k( 431) = ( 0.4454546 0.5024142 0.3359374), wk = 0.0019763 k( 432) = ( 0.4500000 0.5075408 0.3282097), wk = 0.0019763 k( 433) = ( 0.4545455 0.5126675 0.3204821), wk = 0.0019763 k( 434) = ( 0.4590909 0.5177942 0.3127544), wk = 0.0019763 k( 435) = ( 0.4636364 0.5229209 0.3050267), wk = 0.0019763 k( 436) = ( 0.4681818 0.5280476 0.2972991), wk = 0.0019763 k( 437) = ( 0.4727273 0.5331742 0.2895714), wk = 0.0019763 k( 438) = ( 0.4772727 0.5383009 0.2818437), wk = 0.0019763 k( 439) = ( 0.4818182 0.5434276 0.2741161), wk = 0.0019763 k( 440) = ( 0.4863636 0.5485543 0.2663884), wk = 0.0019763 k( 441) = ( 0.4909091 0.5536809 0.2586607), wk = 0.0019763 k( 442) = ( 0.4954545 0.5588076 0.2509331), wk = 0.0019763 k( 443) = ( 0.5000000 0.5639343 0.2432054), wk = 0.0019763 k( 444) = ( 0.5000000 0.5639343 0.2432054), wk = 0.0019763 k( 445) = ( 0.5000000 0.5639343 0.2330719), wk = 0.0019763 k( 446) = ( 0.5000000 0.5639343 0.2229383), wk = 0.0019763 k( 447) = ( 0.5000000 0.5639343 0.2128047), wk = 0.0019763 k( 448) = ( 0.5000000 0.5639343 0.2026712), wk = 0.0019763 k( 449) = ( 0.5000000 0.5639343 0.1925376), wk = 0.0019763 k( 450) = ( 0.5000000 0.5639343 0.1824041), wk = 0.0019763 k( 451) = ( 0.5000000 0.5639343 0.1722705), wk = 0.0019763 k( 452) = ( 0.5000000 0.5639343 0.1621369), wk = 0.0019763 k( 453) = ( 0.5000000 0.5639343 0.1520034), wk = 0.0019763 k( 454) = ( 0.5000000 0.5639343 0.1418698), wk = 0.0019763 k( 455) = ( 0.5000000 0.5639343 0.1317363), wk = 0.0019763 k( 456) = ( 0.5000000 0.5639343 0.1216027), wk = 0.0019763 k( 457) = ( 0.5000000 0.5639343 0.1114691), wk = 0.0019763 k( 458) = ( 0.5000000 0.5639343 0.1013356), wk = 0.0019763 k( 459) = ( 0.5000000 0.5639343 0.0912020), wk = 0.0019763 k( 460) = ( 0.5000000 0.5639343 0.0810685), wk = 0.0019763 k( 461) = ( 0.5000000 0.5639343 0.0709349), wk = 0.0019763 k( 462) = ( 0.5000000 0.5639343 0.0608013), wk = 0.0019763 k( 463) = ( 0.5000000 0.5639343 0.0506678), wk = 0.0019763 k( 464) = ( 0.5000000 0.5639343 0.0405342), wk = 0.0019763 k( 465) = ( 0.5000000 0.5639343 0.0304007), wk = 0.0019763 k( 466) = ( 0.5000000 0.5639343 0.0202671), wk = 0.0019763 k( 467) = ( 0.5000000 0.5639343 0.0101336), wk = 0.0019763 k( 468) = ( 0.5000000 0.5639343 -0.0000000), wk = 0.0019763 k( 469) = ( 0.0000000 0.0000000 0.6682270), wk = 0.0019763 k( 470) = ( 0.0067568 0.0076207 0.6682270), wk = 0.0019763 k( 471) = ( 0.0135135 0.0152415 0.6682270), wk = 0.0019763 k( 472) = ( 0.0202703 0.0228622 0.6682270), wk = 0.0019763 k( 473) = ( 0.0270270 0.0304829 0.6682270), wk = 0.0019763 k( 474) = ( 0.0337838 0.0381037 0.6682270), wk = 0.0019763 k( 475) = ( 0.0405405 0.0457244 0.6682270), wk = 0.0019763 k( 476) = ( 0.0472973 0.0533451 0.6682270), wk = 0.0019763 k( 477) = ( 0.0540540 0.0609659 0.6682270), wk = 0.0019763 k( 478) = ( 0.0608108 0.0685866 0.6682270), wk = 0.0019763 k( 479) = ( 0.0675676 0.0762073 0.6682270), wk = 0.0019763 k( 480) = ( 0.0743243 0.0838281 0.6682270), wk = 0.0019763 k( 481) = ( 0.0810811 0.0914488 0.6682270), wk = 0.0019763 k( 482) = ( 0.0878378 0.0990695 0.6682270), wk = 0.0019763 k( 483) = ( 0.0945946 0.1066903 0.6682270), wk = 0.0019763 k( 484) = ( 0.1013514 0.1143110 0.6682270), wk = 0.0019763 k( 485) = ( 0.1081081 0.1219317 0.6682270), wk = 0.0019763 k( 486) = ( 0.1148649 0.1295525 0.6682270), wk = 0.0019763 k( 487) = ( 0.1216216 0.1371732 0.6682270), wk = 0.0019763 k( 488) = ( 0.1283784 0.1447939 0.6682270), wk = 0.0019763 k( 489) = ( 0.1351351 0.1524147 0.6682270), wk = 0.0019763 k( 490) = ( 0.1418919 0.1600354 0.6682270), wk = 0.0019763 k( 491) = ( 0.1486486 0.1676561 0.6682270), wk = 0.0019763 k( 492) = ( 0.1554054 0.1752769 0.6682270), wk = 0.0019763 k( 493) = ( 0.1621622 0.1828976 0.6682270), wk = 0.0019763 k( 494) = ( 0.1689189 0.1905183 0.6682270), wk = 0.0019763 k( 495) = ( 0.1756757 0.1981391 0.6682270), wk = 0.0019763 k( 496) = ( 0.1824324 0.2057598 0.6682270), wk = 0.0019763 k( 497) = ( 0.1891892 0.2133805 0.6682270), wk = 0.0019763 k( 498) = ( 0.1959460 0.2210013 0.6682270), wk = 0.0019763 k( 499) = ( 0.2027027 0.2286220 0.6682270), wk = 0.0019763 k( 500) = ( 0.2094595 0.2362427 0.6682270), wk = 0.0019763 k( 501) = ( 0.2162162 0.2438635 0.6682270), wk = 0.0019763 k( 502) = ( 0.2229730 0.2514842 0.6682270), wk = 0.0019763 k( 503) = ( 0.2297297 0.2591049 0.6682270), wk = 0.0019763 k( 504) = ( 0.2364865 0.2667257 0.6682270), wk = 0.0019763 k( 505) = ( 0.2432432 0.2743464 0.6682270), wk = 0.0019763 k( 506) = ( 0.2500000 0.2819671 0.6682270), wk = 0.0019763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0000000 0.0000000 0.0078125), wk = 0.0019763 k( 3) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0019763 k( 4) = ( 0.0000000 0.0000000 0.0234375), wk = 0.0019763 k( 5) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0019763 k( 6) = ( 0.0000000 0.0000000 0.0390625), wk = 0.0019763 k( 7) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0019763 k( 8) = ( 0.0000000 0.0000000 0.0546875), wk = 0.0019763 k( 9) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0019763 k( 10) = ( 0.0000000 0.0000000 0.0703125), wk = 0.0019763 k( 11) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0019763 k( 12) = ( 0.0000000 0.0000000 0.0859375), wk = 0.0019763 k( 13) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0019763 k( 14) = ( 0.0000000 0.0000000 0.1015625), wk = 0.0019763 k( 15) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0019763 k( 16) = ( 0.0000000 0.0000000 0.1171875), wk = 0.0019763 k( 17) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0019763 k( 18) = ( 0.0000000 0.0000000 0.1328125), wk = 0.0019763 k( 19) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0019763 k( 20) = ( 0.0000000 0.0000000 0.1484375), wk = 0.0019763 k( 21) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0019763 k( 22) = ( 0.0000000 0.0000000 0.1640625), wk = 0.0019763 k( 23) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0019763 k( 24) = ( 0.0000000 0.0000000 0.1796875), wk = 0.0019763 k( 25) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0019763 k( 26) = ( 0.0000000 0.0000000 0.1953125), wk = 0.0019763 k( 27) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0019763 k( 28) = ( 0.0000000 0.0000000 0.2109375), wk = 0.0019763 k( 29) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0019763 k( 30) = ( 0.0000000 0.0000000 0.2265625), wk = 0.0019763 k( 31) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0019763 k( 32) = ( 0.0000000 0.0000000 0.2421875), wk = 0.0019763 k( 33) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019763 k( 34) = ( 0.0000000 0.0000000 0.2578125), wk = 0.0019763 k( 35) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0019763 k( 36) = ( 0.0000000 0.0000000 0.2734375), wk = 0.0019763 k( 37) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0019763 k( 38) = ( 0.0000000 0.0000000 0.2890625), wk = 0.0019763 k( 39) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0019763 k( 40) = ( 0.0000000 0.0000000 0.3046875), wk = 0.0019763 k( 41) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0019763 k( 42) = ( 0.0000000 0.0000000 0.3203125), wk = 0.0019763 k( 43) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0019763 k( 44) = ( 0.0000000 0.0000000 0.3359375), wk = 0.0019763 k( 45) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0019763 k( 46) = ( 0.0000000 0.0000000 0.3515625), wk = 0.0019763 k( 47) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0019763 k( 48) = ( 0.0000000 0.0000000 0.3671875), wk = 0.0019763 k( 49) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0019763 k( 50) = ( 0.0000000 0.0000000 0.3828125), wk = 0.0019763 k( 51) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0019763 k( 52) = ( 0.0000000 0.0000000 0.3984375), wk = 0.0019763 k( 53) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0019763 k( 54) = ( 0.0000000 0.0000000 0.4140625), wk = 0.0019763 k( 55) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0019763 k( 56) = ( 0.0000000 0.0000000 0.4296875), wk = 0.0019763 k( 57) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0019763 k( 58) = ( 0.0000000 0.0000000 0.4453125), wk = 0.0019763 k( 59) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0019763 k( 60) = ( 0.0000000 0.0000000 0.4609375), wk = 0.0019763 k( 61) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0019763 k( 62) = ( 0.0000000 0.0000000 0.4765625), wk = 0.0019763 k( 63) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0019763 k( 64) = ( 0.0000000 0.0000000 0.4921875), wk = 0.0019763 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 67) = ( -0.0077566 0.0077566 0.5000000), wk = 0.0019763 k( 68) = ( -0.0155133 0.0155133 0.5000000), wk = 0.0019763 k( 69) = ( -0.0232699 0.0232699 0.5000000), wk = 0.0019763 k( 70) = ( -0.0310265 0.0310265 0.5000000), wk = 0.0019763 k( 71) = ( -0.0387832 0.0387832 0.5000000), wk = 0.0019763 k( 72) = ( -0.0465398 0.0465398 0.5000000), wk = 0.0019763 k( 73) = ( -0.0542964 0.0542964 0.5000000), wk = 0.0019763 k( 74) = ( -0.0620530 0.0620531 0.5000000), wk = 0.0019763 k( 75) = ( -0.0698097 0.0698097 0.5000000), wk = 0.0019763 k( 76) = ( -0.0775663 0.0775663 0.5000000), wk = 0.0019763 k( 77) = ( -0.0853229 0.0853229 0.5000000), wk = 0.0019763 k( 78) = ( -0.0930796 0.0930796 0.5000000), wk = 0.0019763 k( 79) = ( -0.1008362 0.1008362 0.5000000), wk = 0.0019763 k( 80) = ( -0.1085928 0.1085928 0.5000000), wk = 0.0019763 k( 81) = ( -0.1163495 0.1163495 0.5000000), wk = 0.0019763 k( 82) = ( -0.1241061 0.1241061 0.5000000), wk = 0.0019763 k( 83) = ( -0.1318627 0.1318627 0.5000000), wk = 0.0019763 k( 84) = ( -0.1396194 0.1396194 0.5000000), wk = 0.0019763 k( 85) = ( -0.1473760 0.1473760 0.5000000), wk = 0.0019763 k( 86) = ( -0.1551326 0.1551326 0.5000000), wk = 0.0019763 k( 87) = ( -0.1628893 0.1628893 0.5000000), wk = 0.0019763 k( 88) = ( -0.1706459 0.1706459 0.5000000), wk = 0.0019763 k( 89) = ( -0.1784025 0.1784025 0.5000000), wk = 0.0019763 k( 90) = ( -0.1861591 0.1861591 0.5000000), wk = 0.0019763 k( 91) = ( -0.1939158 0.1939158 0.5000000), wk = 0.0019763 k( 92) = ( -0.2016724 0.2016724 0.5000000), wk = 0.0019763 k( 93) = ( -0.2094290 0.2094290 0.5000000), wk = 0.0019763 k( 94) = ( -0.2171857 0.2171857 0.5000000), wk = 0.0019763 k( 95) = ( -0.2249423 0.2249423 0.5000000), wk = 0.0019763 k( 96) = ( -0.2326989 0.2326989 0.5000000), wk = 0.0019763 k( 97) = ( -0.2404556 0.2404556 0.5000000), wk = 0.0019763 k( 98) = ( -0.2482122 0.2482122 0.5000000), wk = 0.0019763 k( 99) = ( -0.2559688 0.2559688 0.5000000), wk = 0.0019763 k( 100) = ( -0.2637254 0.2637254 0.5000000), wk = 0.0019763 k( 101) = ( -0.2714821 0.2714821 0.5000000), wk = 0.0019763 k( 102) = ( -0.2792387 0.2792387 0.5000000), wk = 0.0019763 k( 103) = ( -0.2869953 0.2869953 0.5000000), wk = 0.0019763 k( 104) = ( -0.2947520 0.2947520 0.5000000), wk = 0.0019763 k( 105) = ( -0.3025086 0.3025086 0.5000000), wk = 0.0019763 k( 106) = ( -0.3102652 0.3102652 0.5000000), wk = 0.0019763 k( 107) = ( -0.3180219 0.3180219 0.5000000), wk = 0.0019763 k( 108) = ( -0.3180219 0.3180219 0.5000000), wk = 0.0019763 k( 109) = ( -0.3233742 0.3233742 0.4946477), wk = 0.0019763 k( 110) = ( -0.3287265 0.3287265 0.4892954), wk = 0.0019763 k( 111) = ( -0.3340788 0.3340788 0.4839431), wk = 0.0019763 k( 112) = ( -0.3394311 0.3394311 0.4785908), wk = 0.0019763 k( 113) = ( -0.3447834 0.3447834 0.4732385), wk = 0.0019763 k( 114) = ( -0.3501357 0.3501357 0.4678862), wk = 0.0019763 k( 115) = ( -0.3554880 0.3554880 0.4625339), wk = 0.0019763 k( 116) = ( -0.3608402 0.3608403 0.4571816), wk = 0.0019763 k( 117) = ( -0.3661926 0.3661926 0.4518293), wk = 0.0019763 k( 118) = ( -0.3715448 0.3715448 0.4464770), wk = 0.0019763 k( 119) = ( -0.3768972 0.3768972 0.4411247), wk = 0.0019763 k( 120) = ( -0.3822494 0.3822494 0.4357724), wk = 0.0019763 k( 121) = ( -0.3876017 0.3876017 0.4304201), wk = 0.0019763 k( 122) = ( -0.3929540 0.3929540 0.4250678), wk = 0.0019763 k( 123) = ( -0.3983063 0.3983063 0.4197155), wk = 0.0019763 k( 124) = ( -0.4036586 0.4036586 0.4143632), wk = 0.0019763 k( 125) = ( -0.4090109 0.4090109 0.4090109), wk = 0.0019763 k( 126) = ( -0.4090109 0.4090109 0.4090109), wk = 0.0019763 k( 127) = ( -0.4034838 0.4034838 0.4034838), wk = 0.0019763 k( 128) = ( -0.3979566 0.3979566 0.3979566), wk = 0.0019763 k( 129) = ( -0.3924294 0.3924294 0.3924294), wk = 0.0019763 k( 130) = ( -0.3869022 0.3869022 0.3869022), wk = 0.0019763 k( 131) = ( -0.3813751 0.3813751 0.3813751), wk = 0.0019763 k( 132) = ( -0.3758479 0.3758479 0.3758479), wk = 0.0019763 k( 133) = ( -0.3703207 0.3703207 0.3703207), wk = 0.0019763 k( 134) = ( -0.3647935 0.3647935 0.3647935), wk = 0.0019763 k( 135) = ( -0.3592664 0.3592664 0.3592664), wk = 0.0019763 k( 136) = ( -0.3537392 0.3537392 0.3537392), wk = 0.0019763 k( 137) = ( -0.3482120 0.3482120 0.3482120), wk = 0.0019763 k( 138) = ( -0.3426848 0.3426848 0.3426848), wk = 0.0019763 k( 139) = ( -0.3371577 0.3371577 0.3371577), wk = 0.0019763 k( 140) = ( -0.3316305 0.3316305 0.3316305), wk = 0.0019763 k( 141) = ( -0.3261033 0.3261033 0.3261033), wk = 0.0019763 k( 142) = ( -0.3205761 0.3205761 0.3205761), wk = 0.0019763 k( 143) = ( -0.3150490 0.3150490 0.3150490), wk = 0.0019763 k( 144) = ( -0.3095218 0.3095218 0.3095218), wk = 0.0019763 k( 145) = ( -0.3039946 0.3039946 0.3039946), wk = 0.0019763 k( 146) = ( -0.2984674 0.2984674 0.2984674), wk = 0.0019763 k( 147) = ( -0.2929403 0.2929403 0.2929403), wk = 0.0019763 k( 148) = ( -0.2874131 0.2874131 0.2874131), wk = 0.0019763 k( 149) = ( -0.2818859 0.2818859 0.2818859), wk = 0.0019763 k( 150) = ( -0.2763587 0.2763587 0.2763587), wk = 0.0019763 k( 151) = ( -0.2708316 0.2708316 0.2708316), wk = 0.0019763 k( 152) = ( -0.2653044 0.2653044 0.2653044), wk = 0.0019763 k( 153) = ( -0.2597772 0.2597772 0.2597772), wk = 0.0019763 k( 154) = ( -0.2542500 0.2542500 0.2542500), wk = 0.0019763 k( 155) = ( -0.2487229 0.2487229 0.2487229), wk = 0.0019763 k( 156) = ( -0.2431957 0.2431957 0.2431957), wk = 0.0019763 k( 157) = ( -0.2376685 0.2376685 0.2376685), wk = 0.0019763 k( 158) = ( -0.2321413 0.2321413 0.2321413), wk = 0.0019763 k( 159) = ( -0.2266142 0.2266142 0.2266142), wk = 0.0019763 k( 160) = ( -0.2210870 0.2210870 0.2210870), wk = 0.0019763 k( 161) = ( -0.2155598 0.2155598 0.2155598), wk = 0.0019763 k( 162) = ( -0.2100326 0.2100326 0.2100326), wk = 0.0019763 k( 163) = ( -0.2045055 0.2045055 0.2045055), wk = 0.0019763 k( 164) = ( -0.1989783 0.1989783 0.1989783), wk = 0.0019763 k( 165) = ( -0.1934511 0.1934511 0.1934511), wk = 0.0019763 k( 166) = ( -0.1879239 0.1879239 0.1879239), wk = 0.0019763 k( 167) = ( -0.1823968 0.1823968 0.1823968), wk = 0.0019763 k( 168) = ( -0.1768696 0.1768696 0.1768696), wk = 0.0019763 k( 169) = ( -0.1713424 0.1713424 0.1713424), wk = 0.0019763 k( 170) = ( -0.1658152 0.1658152 0.1658152), wk = 0.0019763 k( 171) = ( -0.1602881 0.1602881 0.1602881), wk = 0.0019763 k( 172) = ( -0.1547609 0.1547609 0.1547609), wk = 0.0019763 k( 173) = ( -0.1492337 0.1492337 0.1492337), wk = 0.0019763 k( 174) = ( -0.1437065 0.1437065 0.1437065), wk = 0.0019763 k( 175) = ( -0.1381794 0.1381794 0.1381794), wk = 0.0019763 k( 176) = ( -0.1326522 0.1326522 0.1326522), wk = 0.0019763 k( 177) = ( -0.1271250 0.1271250 0.1271250), wk = 0.0019763 k( 178) = ( -0.1215978 0.1215978 0.1215978), wk = 0.0019763 k( 179) = ( -0.1160707 0.1160707 0.1160707), wk = 0.0019763 k( 180) = ( -0.1105435 0.1105435 0.1105435), wk = 0.0019763 k( 181) = ( -0.1050163 0.1050163 0.1050163), wk = 0.0019763 k( 182) = ( -0.0994891 0.0994892 0.0994891), wk = 0.0019763 k( 183) = ( -0.0939620 0.0939620 0.0939620), wk = 0.0019763 k( 184) = ( -0.0884348 0.0884348 0.0884348), wk = 0.0019763 k( 185) = ( -0.0829076 0.0829076 0.0829076), wk = 0.0019763 k( 186) = ( -0.0773805 0.0773805 0.0773805), wk = 0.0019763 k( 187) = ( -0.0718533 0.0718533 0.0718533), wk = 0.0019763 k( 188) = ( -0.0663261 0.0663261 0.0663261), wk = 0.0019763 k( 189) = ( -0.0607989 0.0607989 0.0607989), wk = 0.0019763 k( 190) = ( -0.0552718 0.0552718 0.0552718), wk = 0.0019763 k( 191) = ( -0.0497446 0.0497446 0.0497446), wk = 0.0019763 k( 192) = ( -0.0442174 0.0442174 0.0442174), wk = 0.0019763 k( 193) = ( -0.0386902 0.0386902 0.0386902), wk = 0.0019763 k( 194) = ( -0.0331630 0.0331630 0.0331630), wk = 0.0019763 k( 195) = ( -0.0276359 0.0276359 0.0276359), wk = 0.0019763 k( 196) = ( -0.0221087 0.0221087 0.0221087), wk = 0.0019763 k( 197) = ( -0.0165815 0.0165815 0.0165815), wk = 0.0019763 k( 198) = ( -0.0110543 0.0110544 0.0110543), wk = 0.0019763 k( 199) = ( -0.0055272 0.0055272 0.0055272), wk = 0.0019763 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 202) = ( 0.0068493 0.0068493 -0.0068493), wk = 0.0019763 k( 203) = ( 0.0136986 0.0136986 -0.0136986), wk = 0.0019763 k( 204) = ( 0.0205479 0.0205479 -0.0205479), wk = 0.0019763 k( 205) = ( 0.0273973 0.0273973 -0.0273973), wk = 0.0019763 k( 206) = ( 0.0342466 0.0342466 -0.0342466), wk = 0.0019763 k( 207) = ( 0.0410959 0.0410959 -0.0410959), wk = 0.0019763 k( 208) = ( 0.0479452 0.0479452 -0.0479452), wk = 0.0019763 k( 209) = ( 0.0547945 0.0547945 -0.0547945), wk = 0.0019763 k( 210) = ( 0.0616438 0.0616438 -0.0616438), wk = 0.0019763 k( 211) = ( 0.0684932 0.0684932 -0.0684932), wk = 0.0019763 k( 212) = ( 0.0753425 0.0753425 -0.0753425), wk = 0.0019763 k( 213) = ( 0.0821918 0.0821918 -0.0821918), wk = 0.0019763 k( 214) = ( 0.0890411 0.0890411 -0.0890411), wk = 0.0019763 k( 215) = ( 0.0958904 0.0958904 -0.0958904), wk = 0.0019763 k( 216) = ( 0.1027397 0.1027397 -0.1027397), wk = 0.0019763 k( 217) = ( 0.1095890 0.1095890 -0.1095890), wk = 0.0019763 k( 218) = ( 0.1164384 0.1164384 -0.1164384), wk = 0.0019763 k( 219) = ( 0.1232877 0.1232877 -0.1232877), wk = 0.0019763 k( 220) = ( 0.1301370 0.1301370 -0.1301370), wk = 0.0019763 k( 221) = ( 0.1369863 0.1369863 -0.1369863), wk = 0.0019763 k( 222) = ( 0.1438356 0.1438356 -0.1438356), wk = 0.0019763 k( 223) = ( 0.1506849 0.1506849 -0.1506849), wk = 0.0019763 k( 224) = ( 0.1575342 0.1575342 -0.1575342), wk = 0.0019763 k( 225) = ( 0.1643836 0.1643836 -0.1643836), wk = 0.0019763 k( 226) = ( 0.1712329 0.1712329 -0.1712329), wk = 0.0019763 k( 227) = ( 0.1780822 0.1780822 -0.1780822), wk = 0.0019763 k( 228) = ( 0.1849315 0.1849315 -0.1849315), wk = 0.0019763 k( 229) = ( 0.1917808 0.1917808 -0.1917808), wk = 0.0019763 k( 230) = ( 0.1986301 0.1986301 -0.1986301), wk = 0.0019763 k( 231) = ( 0.2054795 0.2054794 -0.2054795), wk = 0.0019763 k( 232) = ( 0.2123288 0.2123288 -0.2123288), wk = 0.0019763 k( 233) = ( 0.2191781 0.2191781 -0.2191781), wk = 0.0019763 k( 234) = ( 0.2260274 0.2260274 -0.2260274), wk = 0.0019763 k( 235) = ( 0.2328767 0.2328767 -0.2328767), wk = 0.0019763 k( 236) = ( 0.2397260 0.2397260 -0.2397260), wk = 0.0019763 k( 237) = ( 0.2465753 0.2465753 -0.2465753), wk = 0.0019763 k( 238) = ( 0.2534247 0.2534247 -0.2534247), wk = 0.0019763 k( 239) = ( 0.2602740 0.2602740 -0.2602740), wk = 0.0019763 k( 240) = ( 0.2671233 0.2671233 -0.2671233), wk = 0.0019763 k( 241) = ( 0.2739726 0.2739726 -0.2739726), wk = 0.0019763 k( 242) = ( 0.2808219 0.2808219 -0.2808219), wk = 0.0019763 k( 243) = ( 0.2876712 0.2876712 -0.2876712), wk = 0.0019763 k( 244) = ( 0.2945205 0.2945205 -0.2945205), wk = 0.0019763 k( 245) = ( 0.3013699 0.3013699 -0.3013699), wk = 0.0019763 k( 246) = ( 0.3082192 0.3082192 -0.3082192), wk = 0.0019763 k( 247) = ( 0.3150685 0.3150685 -0.3150685), wk = 0.0019763 k( 248) = ( 0.3219178 0.3219178 -0.3219178), wk = 0.0019763 k( 249) = ( 0.3287671 0.3287671 -0.3287671), wk = 0.0019763 k( 250) = ( 0.3356164 0.3356164 -0.3356164), wk = 0.0019763 k( 251) = ( 0.3424658 0.3424658 -0.3424658), wk = 0.0019763 k( 252) = ( 0.3493151 0.3493151 -0.3493151), wk = 0.0019763 k( 253) = ( 0.3561644 0.3561644 -0.3561644), wk = 0.0019763 k( 254) = ( 0.3630137 0.3630137 -0.3630137), wk = 0.0019763 k( 255) = ( 0.3698630 0.3698630 -0.3698630), wk = 0.0019763 k( 256) = ( 0.3767123 0.3767123 -0.3767123), wk = 0.0019763 k( 257) = ( 0.3835616 0.3835616 -0.3835616), wk = 0.0019763 k( 258) = ( 0.3904110 0.3904110 -0.3904110), wk = 0.0019763 k( 259) = ( 0.3972603 0.3972603 -0.3972603), wk = 0.0019763 k( 260) = ( 0.4041096 0.4041096 -0.4041096), wk = 0.0019763 k( 261) = ( 0.4109589 0.4109589 -0.4109589), wk = 0.0019763 k( 262) = ( 0.4178082 0.4178082 -0.4178082), wk = 0.0019763 k( 263) = ( 0.4246575 0.4246575 -0.4246575), wk = 0.0019763 k( 264) = ( 0.4315068 0.4315069 -0.4315069), wk = 0.0019763 k( 265) = ( 0.4383562 0.4383562 -0.4383562), wk = 0.0019763 k( 266) = ( 0.4452055 0.4452055 -0.4452055), wk = 0.0019763 k( 267) = ( 0.4520548 0.4520548 -0.4520548), wk = 0.0019763 k( 268) = ( 0.4589041 0.4589041 -0.4589041), wk = 0.0019763 k( 269) = ( 0.4657534 0.4657534 -0.4657534), wk = 0.0019763 k( 270) = ( 0.4726027 0.4726027 -0.4726027), wk = 0.0019763 k( 271) = ( 0.4794521 0.4794521 -0.4794521), wk = 0.0019763 k( 272) = ( 0.4863014 0.4863014 -0.4863014), wk = 0.0019763 k( 273) = ( 0.4931507 0.4931507 -0.4931507), wk = 0.0019763 k( 274) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019763 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019763 k( 276) = ( 0.4946477 0.5053523 -0.4946477), wk = 0.0019763 k( 277) = ( 0.4892954 0.5107046 -0.4892954), wk = 0.0019763 k( 278) = ( 0.4839431 0.5160569 -0.4839431), wk = 0.0019763 k( 279) = ( 0.4785908 0.5214092 -0.4785908), wk = 0.0019763 k( 280) = ( 0.4732385 0.5267615 -0.4732385), wk = 0.0019763 k( 281) = ( 0.4678862 0.5321138 -0.4678862), wk = 0.0019763 k( 282) = ( 0.4625339 0.5374661 -0.4625339), wk = 0.0019763 k( 283) = ( 0.4571816 0.5428184 -0.4571816), wk = 0.0019763 k( 284) = ( 0.4518293 0.5481707 -0.4518293), wk = 0.0019763 k( 285) = ( 0.4464770 0.5535230 -0.4464770), wk = 0.0019763 k( 286) = ( 0.4411247 0.5588753 -0.4411247), wk = 0.0019763 k( 287) = ( 0.4357724 0.5642276 -0.4357724), wk = 0.0019763 k( 288) = ( 0.4304201 0.5695799 -0.4304201), wk = 0.0019763 k( 289) = ( 0.4250678 0.5749322 -0.4250678), wk = 0.0019763 k( 290) = ( 0.4197155 0.5802845 -0.4197155), wk = 0.0019763 k( 291) = ( 0.4143632 0.5856368 -0.4143632), wk = 0.0019763 k( 292) = ( 0.4090109 0.5909891 -0.4090109), wk = 0.0019763 k( 293) = ( 0.4090109 0.5909891 -0.4090109), wk = 0.0019763 k( 294) = ( 0.4003086 0.5890531 -0.4003086), wk = 0.0019763 k( 295) = ( 0.3916062 0.5871172 -0.3916062), wk = 0.0019763 k( 296) = ( 0.3829038 0.5851812 -0.3829039), wk = 0.0019763 k( 297) = ( 0.3742015 0.5832453 -0.3742015), wk = 0.0019763 k( 298) = ( 0.3654991 0.5813094 -0.3654991), wk = 0.0019763 k( 299) = ( 0.3567968 0.5793734 -0.3567968), wk = 0.0019763 k( 300) = ( 0.3480944 0.5774375 -0.3480944), wk = 0.0019763 k( 301) = ( 0.3393921 0.5755016 -0.3393920), wk = 0.0019763 k( 302) = ( 0.3306897 0.5735656 -0.3306897), wk = 0.0019763 k( 303) = ( 0.3219873 0.5716297 -0.3219873), wk = 0.0019763 k( 304) = ( 0.3132850 0.5696937 -0.3132850), wk = 0.0019763 k( 305) = ( 0.3045826 0.5677578 -0.3045826), wk = 0.0019763 k( 306) = ( 0.2958803 0.5658219 -0.2958803), wk = 0.0019763 k( 307) = ( 0.2871779 0.5638859 -0.2871779), wk = 0.0019763 k( 308) = ( 0.2784755 0.5619500 -0.2784755), wk = 0.0019763 k( 309) = ( 0.2697732 0.5600141 -0.2697732), wk = 0.0019763 k( 310) = ( 0.2610708 0.5580781 -0.2610708), wk = 0.0019763 k( 311) = ( 0.2523685 0.5561422 -0.2523685), wk = 0.0019763 k( 312) = ( 0.2436661 0.5542063 -0.2436661), wk = 0.0019763 k( 313) = ( 0.2349637 0.5522703 -0.2349637), wk = 0.0019763 k( 314) = ( 0.2262614 0.5503344 -0.2262614), wk = 0.0019763 k( 315) = ( 0.2175590 0.5483984 -0.2175590), wk = 0.0019763 k( 316) = ( 0.2088567 0.5464625 -0.2088566), wk = 0.0019763 k( 317) = ( 0.2001543 0.5445266 -0.2001543), wk = 0.0019763 k( 318) = ( 0.1914519 0.5425906 -0.1914519), wk = 0.0019763 k( 319) = ( 0.1827496 0.5406547 -0.1827496), wk = 0.0019763 k( 320) = ( 0.1740472 0.5387188 -0.1740472), wk = 0.0019763 k( 321) = ( 0.1653448 0.5367828 -0.1653449), wk = 0.0019763 k( 322) = ( 0.1566425 0.5348469 -0.1566425), wk = 0.0019763 k( 323) = ( 0.1479401 0.5329109 -0.1479401), wk = 0.0019763 k( 324) = ( 0.1392378 0.5309750 -0.1392378), wk = 0.0019763 k( 325) = ( 0.1305354 0.5290391 -0.1305354), wk = 0.0019763 k( 326) = ( 0.1218330 0.5271031 -0.1218330), wk = 0.0019763 k( 327) = ( 0.1131307 0.5251672 -0.1131307), wk = 0.0019763 k( 328) = ( 0.1044283 0.5232313 -0.1044283), wk = 0.0019763 k( 329) = ( 0.0957260 0.5212953 -0.0957260), wk = 0.0019763 k( 330) = ( 0.0870236 0.5193594 -0.0870236), wk = 0.0019763 k( 331) = ( 0.0783212 0.5174234 -0.0783212), wk = 0.0019763 k( 332) = ( 0.0696189 0.5154875 -0.0696189), wk = 0.0019763 k( 333) = ( 0.0609165 0.5135516 -0.0609165), wk = 0.0019763 k( 334) = ( 0.0522142 0.5116156 -0.0522142), wk = 0.0019763 k( 335) = ( 0.0435118 0.5096797 -0.0435118), wk = 0.0019763 k( 336) = ( 0.0348094 0.5077438 -0.0348094), wk = 0.0019763 k( 337) = ( 0.0261071 0.5058078 -0.0261071), wk = 0.0019763 k( 338) = ( 0.0174047 0.5038719 -0.0174047), wk = 0.0019763 k( 339) = ( 0.0087024 0.5019359 -0.0087024), wk = 0.0019763 k( 340) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 341) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 342) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0019763 k( 343) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0019763 k( 344) = ( 0.0163043 0.4836956 0.0163043), wk = 0.0019763 k( 345) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0019763 k( 346) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0019763 k( 347) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0019763 k( 348) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0019763 k( 349) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0019763 k( 350) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0019763 k( 351) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0019763 k( 352) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0019763 k( 353) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0019763 k( 354) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0019763 k( 355) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0019763 k( 356) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0019763 k( 357) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0019763 k( 358) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0019763 k( 359) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0019763 k( 360) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0019763 k( 361) = ( 0.1086957 0.3913044 0.1086957), wk = 0.0019763 k( 362) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0019763 k( 363) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0019763 k( 364) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0019763 k( 365) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0019763 k( 366) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0019763 k( 367) = ( 0.1413043 0.3586956 0.1413043), wk = 0.0019763 k( 368) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0019763 k( 369) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0019763 k( 370) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0019763 k( 371) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0019763 k( 372) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0019763 k( 373) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0019763 k( 374) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0019763 k( 375) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0019763 k( 376) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0019763 k( 377) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0019763 k( 378) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0019763 k( 379) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0019763 k( 380) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0019763 k( 381) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0019763 k( 382) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0019763 k( 383) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0019763 k( 384) = ( 0.2336957 0.2663043 0.2336956), wk = 0.0019763 k( 385) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0019763 k( 386) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0019763 k( 387) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019763 k( 388) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019763 k( 389) = ( 0.2545455 0.2545454 0.2396723), wk = 0.0019763 k( 390) = ( 0.2590909 0.2590909 0.2293447), wk = 0.0019763 k( 391) = ( 0.2636364 0.2636364 0.2190170), wk = 0.0019763 k( 392) = ( 0.2681818 0.2681818 0.2086893), wk = 0.0019763 k( 393) = ( 0.2727273 0.2727273 0.1983616), wk = 0.0019763 k( 394) = ( 0.2772727 0.2772727 0.1880340), wk = 0.0019763 k( 395) = ( 0.2818182 0.2818182 0.1777063), wk = 0.0019763 k( 396) = ( 0.2863636 0.2863636 0.1673786), wk = 0.0019763 k( 397) = ( 0.2909091 0.2909091 0.1570510), wk = 0.0019763 k( 398) = ( 0.2954545 0.2954545 0.1467233), wk = 0.0019763 k( 399) = ( 0.3000000 0.3000000 0.1363956), wk = 0.0019763 k( 400) = ( 0.3045454 0.3045454 0.1260680), wk = 0.0019763 k( 401) = ( 0.3090909 0.3090909 0.1157403), wk = 0.0019763 k( 402) = ( 0.3136364 0.3136364 0.1054126), wk = 0.0019763 k( 403) = ( 0.3181818 0.3181818 0.0950849), wk = 0.0019763 k( 404) = ( 0.3227273 0.3227273 0.0847573), wk = 0.0019763 k( 405) = ( 0.3272727 0.3272727 0.0744296), wk = 0.0019763 k( 406) = ( 0.3318182 0.3318182 0.0641019), wk = 0.0019763 k( 407) = ( 0.3363636 0.3363636 0.0537743), wk = 0.0019763 k( 408) = ( 0.3409091 0.3409091 0.0434466), wk = 0.0019763 k( 409) = ( 0.3454546 0.3454546 0.0331189), wk = 0.0019763 k( 410) = ( 0.3500000 0.3500000 0.0227912), wk = 0.0019763 k( 411) = ( 0.3545454 0.3545454 0.0124636), wk = 0.0019763 k( 412) = ( 0.3590909 0.3590909 0.0021359), wk = 0.0019763 k( 413) = ( 0.3636364 0.3636364 -0.0081918), wk = 0.0019763 k( 414) = ( 0.3681818 0.3681818 -0.0185194), wk = 0.0019763 k( 415) = ( 0.3727273 0.3727273 -0.0288471), wk = 0.0019763 k( 416) = ( 0.3772727 0.3772727 -0.0391748), wk = 0.0019763 k( 417) = ( 0.3818182 0.3818182 -0.0495024), wk = 0.0019763 k( 418) = ( 0.3863636 0.3863636 -0.0598301), wk = 0.0019763 k( 419) = ( 0.3909091 0.3909091 -0.0701578), wk = 0.0019763 k( 420) = ( 0.3954546 0.3954546 -0.0804855), wk = 0.0019763 k( 421) = ( 0.4000000 0.4000000 -0.0908131), wk = 0.0019763 k( 422) = ( 0.4045454 0.4045454 -0.1011408), wk = 0.0019763 k( 423) = ( 0.4090909 0.4090909 -0.1114685), wk = 0.0019763 k( 424) = ( 0.4136364 0.4136364 -0.1217961), wk = 0.0019763 k( 425) = ( 0.4181818 0.4181818 -0.1321238), wk = 0.0019763 k( 426) = ( 0.4227273 0.4227273 -0.1424515), wk = 0.0019763 k( 427) = ( 0.4272727 0.4272727 -0.1527791), wk = 0.0019763 k( 428) = ( 0.4318182 0.4318182 -0.1631068), wk = 0.0019763 k( 429) = ( 0.4363636 0.4363636 -0.1734345), wk = 0.0019763 k( 430) = ( 0.4409091 0.4409091 -0.1837622), wk = 0.0019763 k( 431) = ( 0.4454546 0.4454546 -0.1940898), wk = 0.0019763 k( 432) = ( 0.4500000 0.4500000 -0.2044175), wk = 0.0019763 k( 433) = ( 0.4545455 0.4545455 -0.2147452), wk = 0.0019763 k( 434) = ( 0.4590909 0.4590909 -0.2250728), wk = 0.0019763 k( 435) = ( 0.4636364 0.4636364 -0.2354005), wk = 0.0019763 k( 436) = ( 0.4681818 0.4681818 -0.2457282), wk = 0.0019763 k( 437) = ( 0.4727273 0.4727273 -0.2560559), wk = 0.0019763 k( 438) = ( 0.4772727 0.4772727 -0.2663835), wk = 0.0019763 k( 439) = ( 0.4818182 0.4818182 -0.2767112), wk = 0.0019763 k( 440) = ( 0.4863636 0.4863636 -0.2870389), wk = 0.0019763 k( 441) = ( 0.4909091 0.4909091 -0.2973665), wk = 0.0019763 k( 442) = ( 0.4954545 0.4954545 -0.3076942), wk = 0.0019763 k( 443) = ( 0.5000000 0.5000000 -0.3180219), wk = 0.0019763 k( 444) = ( 0.5000000 0.5000000 -0.3180219), wk = 0.0019763 k( 445) = ( 0.5000000 0.5000000 -0.3256043), wk = 0.0019763 k( 446) = ( 0.5000000 0.5000000 -0.3331867), wk = 0.0019763 k( 447) = ( 0.5000000 0.5000000 -0.3407691), wk = 0.0019763 k( 448) = ( 0.5000000 0.5000000 -0.3483516), wk = 0.0019763 k( 449) = ( 0.5000000 0.5000000 -0.3559340), wk = 0.0019763 k( 450) = ( 0.5000000 0.5000000 -0.3635164), wk = 0.0019763 k( 451) = ( 0.5000000 0.5000000 -0.3710988), wk = 0.0019763 k( 452) = ( 0.5000000 0.5000000 -0.3786812), wk = 0.0019763 k( 453) = ( 0.5000000 0.5000000 -0.3862637), wk = 0.0019763 k( 454) = ( 0.5000000 0.5000000 -0.3938461), wk = 0.0019763 k( 455) = ( 0.5000000 0.5000000 -0.4014285), wk = 0.0019763 k( 456) = ( 0.5000000 0.5000000 -0.4090109), wk = 0.0019763 k( 457) = ( 0.5000000 0.5000000 -0.4165934), wk = 0.0019763 k( 458) = ( 0.5000000 0.5000000 -0.4241758), wk = 0.0019763 k( 459) = ( 0.5000000 0.5000000 -0.4317582), wk = 0.0019763 k( 460) = ( 0.5000000 0.5000000 -0.4393406), wk = 0.0019763 k( 461) = ( 0.5000000 0.5000000 -0.4469230), wk = 0.0019763 k( 462) = ( 0.5000000 0.5000000 -0.4545055), wk = 0.0019763 k( 463) = ( 0.5000000 0.5000000 -0.4620879), wk = 0.0019763 k( 464) = ( 0.5000000 0.5000000 -0.4696703), wk = 0.0019763 k( 465) = ( 0.5000000 0.5000000 -0.4772527), wk = 0.0019763 k( 466) = ( 0.5000000 0.5000000 -0.4848352), wk = 0.0019763 k( 467) = ( 0.5000000 0.5000000 -0.4924176), wk = 0.0019763 k( 468) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0019763 k( 469) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 470) = ( 0.0067568 0.0067568 0.4932432), wk = 0.0019763 k( 471) = ( 0.0135135 0.0135135 0.4864865), wk = 0.0019763 k( 472) = ( 0.0202703 0.0202703 0.4797297), wk = 0.0019763 k( 473) = ( 0.0270270 0.0270270 0.4729730), wk = 0.0019763 k( 474) = ( 0.0337838 0.0337838 0.4662162), wk = 0.0019763 k( 475) = ( 0.0405405 0.0405405 0.4594595), wk = 0.0019763 k( 476) = ( 0.0472973 0.0472973 0.4527027), wk = 0.0019763 k( 477) = ( 0.0540540 0.0540540 0.4459460), wk = 0.0019763 k( 478) = ( 0.0608108 0.0608108 0.4391892), wk = 0.0019763 k( 479) = ( 0.0675676 0.0675676 0.4324324), wk = 0.0019763 k( 480) = ( 0.0743243 0.0743243 0.4256757), wk = 0.0019763 k( 481) = ( 0.0810811 0.0810811 0.4189189), wk = 0.0019763 k( 482) = ( 0.0878378 0.0878378 0.4121622), wk = 0.0019763 k( 483) = ( 0.0945946 0.0945946 0.4054054), wk = 0.0019763 k( 484) = ( 0.1013514 0.1013514 0.3986486), wk = 0.0019763 k( 485) = ( 0.1081081 0.1081081 0.3918919), wk = 0.0019763 k( 486) = ( 0.1148649 0.1148649 0.3851351), wk = 0.0019763 k( 487) = ( 0.1216216 0.1216216 0.3783784), wk = 0.0019763 k( 488) = ( 0.1283784 0.1283784 0.3716216), wk = 0.0019763 k( 489) = ( 0.1351351 0.1351351 0.3648649), wk = 0.0019763 k( 490) = ( 0.1418919 0.1418919 0.3581081), wk = 0.0019763 k( 491) = ( 0.1486486 0.1486486 0.3513514), wk = 0.0019763 k( 492) = ( 0.1554054 0.1554054 0.3445946), wk = 0.0019763 k( 493) = ( 0.1621622 0.1621622 0.3378378), wk = 0.0019763 k( 494) = ( 0.1689189 0.1689189 0.3310811), wk = 0.0019763 k( 495) = ( 0.1756757 0.1756757 0.3243243), wk = 0.0019763 k( 496) = ( 0.1824324 0.1824324 0.3175676), wk = 0.0019763 k( 497) = ( 0.1891892 0.1891892 0.3108108), wk = 0.0019763 k( 498) = ( 0.1959460 0.1959459 0.3040541), wk = 0.0019763 k( 499) = ( 0.2027027 0.2027027 0.2972973), wk = 0.0019763 k( 500) = ( 0.2094595 0.2094595 0.2905405), wk = 0.0019763 k( 501) = ( 0.2162162 0.2162162 0.2837838), wk = 0.0019763 k( 502) = ( 0.2229730 0.2229730 0.2770270), wk = 0.0019763 k( 503) = ( 0.2297297 0.2297297 0.2702703), wk = 0.0019763 k( 504) = ( 0.2364865 0.2364865 0.2635135), wk = 0.0019763 k( 505) = ( 0.2432432 0.2432432 0.2567568), wk = 0.0019763 k( 506) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019763 Dense grid: 12973 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 7999 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 60, 22) NL pseudopotentials 0.02 Mb ( 30, 38) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 361) G-vector shells 0.00 Mb ( 175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 60, 88) Each subspace H/S matrix 0.01 Mb ( 22, 22) Each matrix 0.03 Mb ( 38, 2, 22) The potential is recalculated from file : ./HfH2.save/charge-density.dat Starting wfc are 24 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.7 secs Computing kpt #: 15 total cpu time spent up to now is 5.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.0 secs Computing kpt #: 20 total cpu time spent up to now is 6.1 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.2 secs Computing kpt #: 24 total cpu time spent up to now is 6.3 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.4 secs Computing kpt #: 27 total cpu time spent up to now is 6.4 secs Computing kpt #: 28 total cpu time spent up to now is 6.5 secs Computing kpt #: 29 total cpu time spent up to now is 6.5 secs Computing kpt #: 30 total cpu time spent up to now is 6.6 secs Computing kpt #: 31 total cpu time spent up to now is 6.7 secs Computing kpt #: 32 total cpu time spent up to now is 6.7 secs Computing kpt #: 33 total cpu time spent up to now is 6.8 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 6.9 secs Computing kpt #: 37 total cpu time spent up to now is 7.0 secs Computing kpt #: 38 total cpu time spent up to now is 7.0 secs Computing kpt #: 39 total cpu time spent up to now is 7.1 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.3 secs Computing kpt #: 44 total cpu time spent up to now is 7.4 secs Computing kpt #: 45 total cpu time spent up to now is 7.5 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.7 secs Computing kpt #: 48 total cpu time spent up to now is 7.8 secs Computing kpt #: 49 total cpu time spent up to now is 7.8 secs Computing kpt #: 50 total cpu time spent up to now is 7.9 secs Computing kpt #: 51 total cpu time spent up to now is 8.0 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.3 secs Computing kpt #: 56 total cpu time spent up to now is 8.4 secs Computing kpt #: 57 total cpu time spent up to now is 8.4 secs Computing kpt #: 58 total cpu time spent up to now is 8.5 secs Computing kpt #: 59 total cpu time spent up to now is 8.6 secs Computing kpt #: 60 total cpu time spent up to now is 8.7 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 8.9 secs Computing kpt #: 64 total cpu time spent up to now is 9.0 secs Computing kpt #: 65 total cpu time spent up to now is 9.0 secs Computing kpt #: 66 total cpu time spent up to now is 9.1 secs Computing kpt #: 67 total cpu time spent up to now is 9.2 secs Computing kpt #: 68 total cpu time spent up to now is 9.2 secs Computing kpt #: 69 total cpu time spent up to now is 9.3 secs Computing kpt #: 70 total cpu time spent up to now is 9.4 secs Computing kpt #: 71 total cpu time spent up to now is 9.5 secs Computing kpt #: 72 total cpu time spent up to now is 9.6 secs Computing kpt #: 73 total cpu time spent up to now is 9.6 secs Computing kpt #: 74 total cpu time spent up to now is 9.7 secs Computing kpt #: 75 total cpu time spent up to now is 9.8 secs Computing kpt #: 76 total cpu time spent up to now is 9.9 secs Computing kpt #: 77 total cpu time spent up to now is 10.0 secs Computing kpt #: 78 total cpu time spent up to now is 10.1 secs Computing kpt #: 79 total cpu time spent up to now is 10.2 secs Computing kpt #: 80 total cpu time spent up to now is 10.3 secs Computing kpt #: 81 total cpu time spent up to now is 10.4 secs Computing kpt #: 82 total cpu time spent up to now is 10.5 secs Computing kpt #: 83 total cpu time spent up to now is 10.6 secs Computing kpt #: 84 total cpu time spent up to now is 10.6 secs Computing kpt #: 85 total cpu time spent up to now is 10.7 secs Computing kpt #: 86 total cpu time spent up to now is 10.8 secs Computing kpt #: 87 total cpu time spent up to now is 10.9 secs Computing kpt #: 88 total cpu time spent up to now is 11.0 secs Computing kpt #: 89 total cpu time spent up to now is 11.1 secs Computing kpt #: 90 total cpu time spent up to now is 11.1 secs Computing kpt #: 91 total cpu time spent up to now is 11.3 secs Computing kpt #: 92 total cpu time spent up to now is 11.4 secs Computing kpt #: 93 total cpu time spent up to now is 11.5 secs Computing kpt #: 94 total cpu time spent up to now is 11.5 secs Computing kpt #: 95 total cpu time spent up to now is 11.6 secs Computing kpt #: 96 total cpu time spent up to now is 11.7 secs Computing kpt #: 97 total cpu time spent up to now is 11.8 secs Computing kpt #: 98 total cpu time spent up to now is 11.9 secs Computing kpt #: 99 total cpu time spent up to now is 12.0 secs Computing kpt #: 100 total cpu time spent up to now is 12.0 secs Computing kpt #: 101 total cpu time spent up to now is 12.1 secs Computing kpt #: 102 total cpu time spent up to now is 12.2 secs Computing kpt #: 103 total cpu time spent up to now is 12.3 secs Computing kpt #: 104 total cpu time spent up to now is 12.4 secs Computing kpt #: 105 total cpu time spent up to now is 12.5 secs Computing kpt #: 106 total cpu time spent up to now is 12.5 secs Computing kpt #: 107 total cpu time spent up to now is 12.6 secs Computing kpt #: 108 total cpu time spent up to now is 12.7 secs Computing kpt #: 109 total cpu time spent up to now is 12.8 secs Computing kpt #: 110 total cpu time spent up to now is 12.9 secs Computing kpt #: 111 total cpu time spent up to now is 13.0 secs Computing kpt #: 112 total cpu time spent up to now is 13.0 secs Computing kpt #: 113 total cpu time spent up to now is 13.1 secs Computing kpt #: 114 total cpu time spent up to now is 13.2 secs Computing kpt #: 115 total cpu time spent up to now is 13.3 secs Computing kpt #: 116 total cpu time spent up to now is 13.3 secs Computing kpt #: 117 total cpu time spent up to now is 13.4 secs Computing kpt #: 118 total cpu time spent up to now is 13.5 secs Computing kpt #: 119 total cpu time spent up to now is 13.6 secs Computing kpt #: 120 total cpu time spent up to now is 13.6 secs Computing kpt #: 121 total cpu time spent up to now is 13.7 secs Computing kpt #: 122 total cpu time spent up to now is 13.7 secs Computing kpt #: 123 total cpu time spent up to now is 13.8 secs Computing kpt #: 124 total cpu time spent up to now is 13.9 secs Computing kpt #: 125 total cpu time spent up to now is 13.9 secs Computing kpt #: 126 total cpu time spent up to now is 14.0 secs Computing kpt #: 127 total cpu time spent up to now is 14.0 secs Computing kpt #: 128 total cpu time spent up to now is 14.1 secs Computing kpt #: 129 total cpu time spent up to now is 14.2 secs Computing kpt #: 130 total cpu time spent up to now is 14.2 secs Computing kpt #: 131 total cpu time spent up to now is 14.3 secs Computing kpt #: 132 total cpu time spent up to now is 14.3 secs Computing kpt #: 133 total cpu time spent up to now is 14.4 secs Computing kpt #: 134 total cpu time spent up to now is 14.4 secs Computing kpt #: 135 total cpu time spent up to now is 14.5 secs Computing kpt #: 136 total cpu time spent up to now is 14.6 secs Computing kpt #: 137 total cpu time spent up to now is 14.6 secs Computing kpt #: 138 total cpu time spent up to now is 14.7 secs Computing kpt #: 139 total cpu time spent up to now is 14.8 secs Computing kpt #: 140 total cpu time spent up to now is 14.8 secs Computing kpt #: 141 total cpu time spent up to now is 14.9 secs Computing kpt #: 142 total cpu time spent up to now is 15.0 secs Computing kpt #: 143 total cpu time spent up to now is 15.1 secs Computing kpt #: 144 total cpu time spent up to now is 15.2 secs Computing kpt #: 145 total cpu time spent up to now is 15.2 secs Computing kpt #: 146 total cpu time spent up to now is 15.3 secs Computing kpt #: 147 total cpu time spent up to now is 15.4 secs Computing kpt #: 148 total cpu time spent up to now is 15.5 secs Computing kpt #: 149 total cpu time spent up to now is 15.6 secs Computing kpt #: 150 total cpu time spent up to now is 15.7 secs Computing kpt #: 151 total cpu time spent up to now is 15.7 secs Computing kpt #: 152 total cpu time spent up to now is 15.8 secs Computing kpt #: 153 total cpu time spent up to now is 15.9 secs Computing kpt #: 154 total cpu time spent up to now is 15.9 secs Computing kpt #: 155 total cpu time spent up to now is 16.0 secs Computing kpt #: 156 total cpu time spent up to now is 16.1 secs Computing kpt #: 157 total cpu time spent up to now is 16.2 secs Computing kpt #: 158 total cpu time spent up to now is 16.2 secs Computing kpt #: 159 total cpu time spent up to now is 16.3 secs Computing kpt #: 160 total cpu time spent up to now is 16.4 secs Computing kpt #: 161 total cpu time spent up to now is 16.5 secs Computing kpt #: 162 total cpu time spent up to now is 16.5 secs Computing kpt #: 163 total cpu time spent up to now is 16.6 secs Computing kpt #: 164 total cpu time spent up to now is 16.7 secs Computing kpt #: 165 total cpu time spent up to now is 16.7 secs Computing kpt #: 166 total cpu time spent up to now is 16.8 secs Computing kpt #: 167 total cpu time spent up to now is 16.9 secs Computing kpt #: 168 total cpu time spent up to now is 16.9 secs Computing kpt #: 169 total cpu time spent up to now is 17.0 secs Computing kpt #: 170 total cpu time spent up to now is 17.0 secs Computing kpt #: 171 total cpu time spent up to now is 17.1 secs Computing kpt #: 172 total cpu time spent up to now is 17.1 secs Computing kpt #: 173 total cpu time spent up to now is 17.2 secs Computing kpt #: 174 total cpu time spent up to now is 17.2 secs Computing kpt #: 175 total cpu time spent up to now is 17.3 secs Computing kpt #: 176 total cpu time spent up to now is 17.3 secs Computing kpt #: 177 total cpu time spent up to now is 17.4 secs Computing kpt #: 178 total cpu time spent up to now is 17.5 secs Computing kpt #: 179 total cpu time spent up to now is 17.5 secs Computing kpt #: 180 total cpu time spent up to now is 17.6 secs Computing kpt #: 181 total cpu time spent up to now is 17.6 secs Computing kpt #: 182 total cpu time spent up to now is 17.7 secs Computing kpt #: 183 total cpu time spent up to now is 17.7 secs Computing kpt #: 184 total cpu time spent up to now is 17.8 secs Computing kpt #: 185 total cpu time spent up to now is 17.8 secs Computing kpt #: 186 total cpu time spent up to now is 17.9 secs Computing kpt #: 187 total cpu time spent up to now is 17.9 secs Computing kpt #: 188 total cpu time spent up to now is 18.0 secs Computing kpt #: 189 total cpu time spent up to now is 18.0 secs Computing kpt #: 190 total cpu time spent up to now is 18.1 secs Computing kpt #: 191 total cpu time spent up to now is 18.1 secs Computing kpt #: 192 total cpu time spent up to now is 18.2 secs Computing kpt #: 193 total cpu time spent up to now is 18.2 secs Computing kpt #: 194 total cpu time spent up to now is 18.3 secs Computing kpt #: 195 total cpu time spent up to now is 18.3 secs Computing kpt #: 196 total cpu time spent up to now is 18.4 secs Computing kpt #: 197 total cpu time spent up to now is 18.4 secs Computing kpt #: 198 total cpu time spent up to now is 18.5 secs Computing kpt #: 199 total cpu time spent up to now is 18.5 secs Computing kpt #: 200 total cpu time spent up to now is 18.6 secs Computing kpt #: 201 total cpu time spent up to now is 18.6 secs Computing kpt #: 202 total cpu time spent up to now is 18.7 secs Computing kpt #: 203 total cpu time spent up to now is 18.7 secs Computing kpt #: 204 total cpu time spent up to now is 18.7 secs Computing kpt #: 205 total cpu time spent up to now is 18.8 secs Computing kpt #: 206 total cpu time spent up to now is 18.8 secs Computing kpt #: 207 total cpu time spent up to now is 18.9 secs Computing kpt #: 208 total cpu time spent up to now is 18.9 secs Computing kpt #: 209 total cpu time spent up to now is 19.0 secs Computing kpt #: 210 total cpu time spent up to now is 19.0 secs Computing kpt #: 211 total cpu time spent up to now is 19.1 secs Computing kpt #: 212 total cpu time spent up to now is 19.1 secs Computing kpt #: 213 total cpu time spent up to now is 19.1 secs Computing kpt #: 214 total cpu time spent up to now is 19.2 secs Computing kpt #: 215 total cpu time spent up to now is 19.2 secs Computing kpt #: 216 total cpu time spent up to now is 19.3 secs Computing kpt #: 217 total cpu time spent up to now is 19.3 secs Computing kpt #: 218 total cpu time spent up to now is 19.4 secs Computing kpt #: 219 total cpu time spent up to now is 19.4 secs Computing kpt #: 220 total cpu time spent up to now is 19.5 secs Computing kpt #: 221 total cpu time spent up to now is 19.5 secs Computing kpt #: 222 total cpu time spent up to now is 19.6 secs Computing kpt #: 223 total cpu time spent up to now is 19.7 secs Computing kpt #: 224 total cpu time spent up to now is 19.7 secs Computing kpt #: 225 total cpu time spent up to now is 19.8 secs Computing kpt #: 226 total cpu time spent up to now is 19.8 secs Computing kpt #: 227 total cpu time spent up to now is 19.9 secs Computing kpt #: 228 total cpu time spent up to now is 19.9 secs Computing kpt #: 229 total cpu time spent up to now is 20.0 secs Computing kpt #: 230 total cpu time spent up to now is 20.0 secs Computing kpt #: 231 total cpu time spent up to now is 20.1 secs Computing kpt #: 232 total cpu time spent up to now is 20.1 secs Computing kpt #: 233 total cpu time spent up to now is 20.2 secs Computing kpt #: 234 total cpu time spent up to now is 20.2 secs Computing kpt #: 235 total cpu time spent up to now is 20.3 secs Computing kpt #: 236 total cpu time spent up to now is 20.3 secs Computing kpt #: 237 total cpu time spent up to now is 20.4 secs Computing kpt #: 238 total cpu time spent up to now is 20.5 secs Computing kpt #: 239 total cpu time spent up to now is 20.5 secs Computing kpt #: 240 total cpu time spent up to now is 20.6 secs Computing kpt #: 241 total cpu time spent up to now is 20.6 secs Computing kpt #: 242 total cpu time spent up to now is 20.7 secs Computing kpt #: 243 total cpu time spent up to now is 20.7 secs Computing kpt #: 244 total cpu time spent up to now is 20.8 secs Computing kpt #: 245 total cpu time spent up to now is 20.9 secs Computing kpt #: 246 total cpu time spent up to now is 20.9 secs Computing kpt #: 247 total cpu time spent up to now is 21.0 secs Computing kpt #: 248 total cpu time spent up to now is 21.1 secs Computing kpt #: 249 total cpu time spent up to now is 21.2 secs Computing kpt #: 250 total cpu time spent up to now is 21.3 secs Computing kpt #: 251 total cpu time spent up to now is 21.4 secs Computing kpt #: 252 total cpu time spent up to now is 21.5 secs Computing kpt #: 253 total cpu time spent up to now is 21.6 secs Computing kpt #: 254 total cpu time spent up to now is 21.6 secs Computing kpt #: 255 total cpu time spent up to now is 21.7 secs Computing kpt #: 256 total cpu time spent up to now is 21.8 secs Computing kpt #: 257 total cpu time spent up to now is 21.9 secs Computing kpt #: 258 total cpu time spent up to now is 21.9 secs Computing kpt #: 259 total cpu time spent up to now is 22.0 secs Computing kpt #: 260 total cpu time spent up to now is 22.1 secs Computing kpt #: 261 total cpu time spent up to now is 22.1 secs Computing kpt #: 262 total cpu time spent up to now is 22.2 secs Computing kpt #: 263 total cpu time spent up to now is 22.3 secs Computing kpt #: 264 total cpu time spent up to now is 22.3 secs Computing kpt #: 265 total cpu time spent up to now is 22.4 secs Computing kpt #: 266 total cpu time spent up to now is 22.5 secs Computing kpt #: 267 total cpu time spent up to now is 22.5 secs Computing kpt #: 268 total cpu time spent up to now is 22.6 secs Computing kpt #: 269 total cpu time spent up to now is 22.6 secs Computing kpt #: 270 total cpu time spent up to now is 22.7 secs Computing kpt #: 271 total cpu time spent up to now is 22.8 secs Computing kpt #: 272 total cpu time spent up to now is 22.8 secs Computing kpt #: 273 total cpu time spent up to now is 22.9 secs Computing kpt #: 274 total cpu time spent up to now is 23.0 secs Computing kpt #: 275 total cpu time spent up to now is 23.1 secs Computing kpt #: 276 total cpu time spent up to now is 23.1 secs Computing kpt #: 277 total cpu time spent up to now is 23.2 secs Computing kpt #: 278 total cpu time spent up to now is 23.3 secs Computing kpt #: 279 total cpu time spent up to now is 23.4 secs Computing kpt #: 280 total cpu time spent up to now is 23.4 secs Computing kpt #: 281 total cpu time spent up to now is 23.5 secs Computing kpt #: 282 total cpu time spent up to now is 23.5 secs Computing kpt #: 283 total cpu time spent up to now is 23.6 secs Computing kpt #: 284 total cpu time spent up to now is 23.7 secs Computing kpt #: 285 total cpu time spent up to now is 23.8 secs Computing kpt #: 286 total cpu time spent up to now is 23.8 secs Computing kpt #: 287 total cpu time spent up to now is 23.9 secs Computing kpt #: 288 total cpu time spent up to now is 23.9 secs Computing kpt #: 289 total cpu time spent up to now is 24.0 secs Computing kpt #: 290 total cpu time spent up to now is 24.1 secs Computing kpt #: 291 total cpu time spent up to now is 24.1 secs Computing kpt #: 292 total cpu time spent up to now is 24.2 secs Computing kpt #: 293 total cpu time spent up to now is 24.2 secs Computing kpt #: 294 total cpu time spent up to now is 24.3 secs Computing kpt #: 295 total cpu time spent up to now is 24.4 secs Computing kpt #: 296 total cpu time spent up to now is 24.4 secs Computing kpt #: 297 total cpu time spent up to now is 24.5 secs Computing kpt #: 298 total cpu time spent up to now is 24.5 secs Computing kpt #: 299 total cpu time spent up to now is 24.6 secs Computing kpt #: 300 total cpu time spent up to now is 24.6 secs Computing kpt #: 301 total cpu time spent up to now is 24.7 secs Computing kpt #: 302 total cpu time spent up to now is 24.8 secs Computing kpt #: 303 total cpu time spent up to now is 24.8 secs Computing kpt #: 304 total cpu time spent up to now is 24.9 secs Computing kpt #: 305 total cpu time spent up to now is 24.9 secs Computing kpt #: 306 total cpu time spent up to now is 25.0 secs Computing kpt #: 307 total cpu time spent up to now is 25.1 secs Computing kpt #: 308 total cpu time spent up to now is 25.1 secs Computing kpt #: 309 total cpu time spent up to now is 25.2 secs Computing kpt #: 310 total cpu time spent up to now is 25.2 secs Computing kpt #: 311 total cpu time spent up to now is 25.3 secs Computing kpt #: 312 total cpu time spent up to now is 25.4 secs Computing kpt #: 313 total cpu time spent up to now is 25.4 secs Computing kpt #: 314 total cpu time spent up to now is 25.5 secs Computing kpt #: 315 total cpu time spent up to now is 25.5 secs Computing kpt #: 316 total cpu time spent up to now is 25.6 secs Computing kpt #: 317 total cpu time spent up to now is 25.7 secs Computing kpt #: 318 total cpu time spent up to now is 25.7 secs Computing kpt #: 319 total cpu time spent up to now is 25.8 secs Computing kpt #: 320 total cpu time spent up to now is 25.9 secs Computing kpt #: 321 total cpu time spent up to now is 25.9 secs Computing kpt #: 322 total cpu time spent up to now is 26.0 secs Computing kpt #: 323 total cpu time spent up to now is 26.1 secs Computing kpt #: 324 total cpu time spent up to now is 26.1 secs Computing kpt #: 325 total cpu time spent up to now is 26.2 secs Computing kpt #: 326 total cpu time spent up to now is 26.3 secs Computing kpt #: 327 total cpu time spent up to now is 26.4 secs Computing kpt #: 328 total cpu time spent up to now is 26.4 secs Computing kpt #: 329 total cpu time spent up to now is 26.5 secs Computing kpt #: 330 total cpu time spent up to now is 26.5 secs Computing kpt #: 331 total cpu time spent up to now is 26.6 secs Computing kpt #: 332 total cpu time spent up to now is 26.7 secs Computing kpt #: 333 total cpu time spent up to now is 26.7 secs Computing kpt #: 334 total cpu time spent up to now is 26.8 secs Computing kpt #: 335 total cpu time spent up to now is 26.9 secs Computing kpt #: 336 total cpu time spent up to now is 26.9 secs Computing kpt #: 337 total cpu time spent up to now is 27.0 secs Computing kpt #: 338 total cpu time spent up to now is 27.1 secs Computing kpt #: 339 total cpu time spent up to now is 27.1 secs Computing kpt #: 340 total cpu time spent up to now is 27.2 secs Computing kpt #: 341 total cpu time spent up to now is 27.3 secs Computing kpt #: 342 total cpu time spent up to now is 27.4 secs Computing kpt #: 343 total cpu time spent up to now is 27.4 secs Computing kpt #: 344 total cpu time spent up to now is 27.5 secs Computing kpt #: 345 total cpu time spent up to now is 27.5 secs Computing kpt #: 346 total cpu time spent up to now is 27.6 secs Computing kpt #: 347 total cpu time spent up to now is 27.7 secs Computing kpt #: 348 total cpu time spent up to now is 27.7 secs Computing kpt #: 349 total cpu time spent up to now is 27.8 secs Computing kpt #: 350 total cpu time spent up to now is 27.9 secs Computing kpt #: 351 total cpu time spent up to now is 27.9 secs Computing kpt #: 352 total cpu time spent up to now is 28.0 secs Computing kpt #: 353 total cpu time spent up to now is 28.1 secs Computing kpt #: 354 total cpu time spent up to now is 28.1 secs Computing kpt #: 355 total cpu time spent up to now is 28.2 secs Computing kpt #: 356 total cpu time spent up to now is 28.3 secs Computing kpt #: 357 total cpu time spent up to now is 28.3 secs Computing kpt #: 358 total cpu time spent up to now is 28.4 secs Computing kpt #: 359 total cpu time spent up to now is 28.5 secs Computing kpt #: 360 total cpu time spent up to now is 28.5 secs Computing kpt #: 361 total cpu time spent up to now is 28.6 secs Computing kpt #: 362 total cpu time spent up to now is 28.7 secs Computing kpt #: 363 total cpu time spent up to now is 28.7 secs Computing kpt #: 364 total cpu time spent up to now is 28.8 secs Computing kpt #: 365 total cpu time spent up to now is 28.8 secs Computing kpt #: 366 total cpu time spent up to now is 28.9 secs Computing kpt #: 367 total cpu time spent up to now is 29.0 secs Computing kpt #: 368 total cpu time spent up to now is 29.0 secs Computing kpt #: 369 total cpu time spent up to now is 29.1 secs Computing kpt #: 370 total cpu time spent up to now is 29.1 secs Computing kpt #: 371 total cpu time spent up to now is 29.2 secs Computing kpt #: 372 total cpu time spent up to now is 29.3 secs Computing kpt #: 373 total cpu time spent up to now is 29.3 secs Computing kpt #: 374 total cpu time spent up to now is 29.4 secs Computing kpt #: 375 total cpu time spent up to now is 29.5 secs Computing kpt #: 376 total cpu time spent up to now is 29.6 secs Computing kpt #: 377 total cpu time spent up to now is 29.6 secs Computing kpt #: 378 total cpu time spent up to now is 29.7 secs Computing kpt #: 379 total cpu time spent up to now is 29.8 secs Computing kpt #: 380 total cpu time spent up to now is 29.9 secs Computing kpt #: 381 total cpu time spent up to now is 30.0 secs Computing kpt #: 382 total cpu time spent up to now is 30.0 secs Computing kpt #: 383 total cpu time spent up to now is 30.1 secs Computing kpt #: 384 total cpu time spent up to now is 30.2 secs Computing kpt #: 385 total cpu time spent up to now is 30.3 secs Computing kpt #: 386 total cpu time spent up to now is 30.4 secs Computing kpt #: 387 total cpu time spent up to now is 30.5 secs Computing kpt #: 388 total cpu time spent up to now is 30.6 secs Computing kpt #: 389 total cpu time spent up to now is 30.7 secs Computing kpt #: 390 total cpu time spent up to now is 30.8 secs Computing kpt #: 391 total cpu time spent up to now is 30.8 secs Computing kpt #: 392 total cpu time spent up to now is 30.9 secs Computing kpt #: 393 total cpu time spent up to now is 31.0 secs Computing kpt #: 394 total cpu time spent up to now is 31.1 secs Computing kpt #: 395 total cpu time spent up to now is 31.2 secs Computing kpt #: 396 total cpu time spent up to now is 31.3 secs Computing kpt #: 397 total cpu time spent up to now is 31.4 secs Computing kpt #: 398 total cpu time spent up to now is 31.5 secs Computing kpt #: 399 total cpu time spent up to now is 31.5 secs Computing kpt #: 400 total cpu time spent up to now is 31.6 secs Computing kpt #: 401 total cpu time spent up to now is 31.7 secs Computing kpt #: 402 total cpu time spent up to now is 31.8 secs Computing kpt #: 403 total cpu time spent up to now is 31.9 secs Computing kpt #: 404 total cpu time spent up to now is 31.9 secs Computing kpt #: 405 total cpu time spent up to now is 32.0 secs Computing kpt #: 406 total cpu time spent up to now is 32.1 secs Computing kpt #: 407 total cpu time spent up to now is 32.2 secs Computing kpt #: 408 total cpu time spent up to now is 32.3 secs Computing kpt #: 409 total cpu time spent up to now is 32.3 secs Computing kpt #: 410 total cpu time spent up to now is 32.4 secs Computing kpt #: 411 total cpu time spent up to now is 32.5 secs Computing kpt #: 412 total cpu time spent up to now is 32.6 secs Computing kpt #: 413 total cpu time spent up to now is 32.6 secs Computing kpt #: 414 total cpu time spent up to now is 32.7 secs Computing kpt #: 415 total cpu time spent up to now is 32.8 secs Computing kpt #: 416 total cpu time spent up to now is 32.8 secs Computing kpt #: 417 total cpu time spent up to now is 32.9 secs Computing kpt #: 418 total cpu time spent up to now is 33.0 secs Computing kpt #: 419 total cpu time spent up to now is 33.1 secs Computing kpt #: 420 total cpu time spent up to now is 33.2 secs Computing kpt #: 421 total cpu time spent up to now is 33.2 secs Computing kpt #: 422 total cpu time spent up to now is 33.3 secs Computing kpt #: 423 total cpu time spent up to now is 33.4 secs Computing kpt #: 424 total cpu time spent up to now is 33.5 secs Computing kpt #: 425 total cpu time spent up to now is 33.6 secs Computing kpt #: 426 total cpu time spent up to now is 33.6 secs Computing kpt #: 427 total cpu time spent up to now is 33.7 secs Computing kpt #: 428 total cpu time spent up to now is 33.8 secs Computing kpt #: 429 total cpu time spent up to now is 33.9 secs Computing kpt #: 430 total cpu time spent up to now is 34.0 secs Computing kpt #: 431 total cpu time spent up to now is 34.1 secs Computing kpt #: 432 total cpu time spent up to now is 34.2 secs Computing kpt #: 433 total cpu time spent up to now is 34.2 secs Computing kpt #: 434 total cpu time spent up to now is 34.3 secs Computing kpt #: 435 total cpu time spent up to now is 34.4 secs Computing kpt #: 436 total cpu time spent up to now is 34.5 secs Computing kpt #: 437 total cpu time spent up to now is 34.6 secs Computing kpt #: 438 total cpu time spent up to now is 34.7 secs Computing kpt #: 439 total cpu time spent up to now is 34.8 secs Computing kpt #: 440 total cpu time spent up to now is 34.9 secs Computing kpt #: 441 total cpu time spent up to now is 34.9 secs Computing kpt #: 442 total cpu time spent up to now is 35.0 secs Computing kpt #: 443 total cpu time spent up to now is 35.1 secs Computing kpt #: 444 total cpu time spent up to now is 35.2 secs Computing kpt #: 445 total cpu time spent up to now is 35.3 secs Computing kpt #: 446 total cpu time spent up to now is 35.4 secs Computing kpt #: 447 total cpu time spent up to now is 35.4 secs Computing kpt #: 448 total cpu time spent up to now is 35.5 secs Computing kpt #: 449 total cpu time spent up to now is 35.6 secs Computing kpt #: 450 total cpu time spent up to now is 35.7 secs Computing kpt #: 451 total cpu time spent up to now is 35.8 secs Computing kpt #: 452 total cpu time spent up to now is 35.8 secs Computing kpt #: 453 total cpu time spent up to now is 35.9 secs Computing kpt #: 454 total cpu time spent up to now is 36.0 secs Computing kpt #: 455 total cpu time spent up to now is 36.1 secs Computing kpt #: 456 total cpu time spent up to now is 36.2 secs Computing kpt #: 457 total cpu time spent up to now is 36.3 secs Computing kpt #: 458 total cpu time spent up to now is 36.3 secs Computing kpt #: 459 total cpu time spent up to now is 36.4 secs Computing kpt #: 460 total cpu time spent up to now is 36.5 secs Computing kpt #: 461 total cpu time spent up to now is 36.6 secs Computing kpt #: 462 total cpu time spent up to now is 36.7 secs Computing kpt #: 463 total cpu time spent up to now is 36.7 secs Computing kpt #: 464 total cpu time spent up to now is 36.8 secs Computing kpt #: 465 total cpu time spent up to now is 36.9 secs Computing kpt #: 466 total cpu time spent up to now is 37.0 secs Computing kpt #: 467 total cpu time spent up to now is 37.0 secs Computing kpt #: 468 total cpu time spent up to now is 37.1 secs Computing kpt #: 469 total cpu time spent up to now is 37.2 secs Computing kpt #: 470 total cpu time spent up to now is 37.3 secs Computing kpt #: 471 total cpu time spent up to now is 37.3 secs Computing kpt #: 472 total cpu time spent up to now is 37.4 secs Computing kpt #: 473 total cpu time spent up to now is 37.5 secs Computing kpt #: 474 total cpu time spent up to now is 37.6 secs Computing kpt #: 475 total cpu time spent up to now is 37.6 secs Computing kpt #: 476 total cpu time spent up to now is 37.7 secs Computing kpt #: 477 total cpu time spent up to now is 37.8 secs Computing kpt #: 478 total cpu time spent up to now is 37.9 secs Computing kpt #: 479 total cpu time spent up to now is 37.9 secs Computing kpt #: 480 total cpu time spent up to now is 38.0 secs Computing kpt #: 481 total cpu time spent up to now is 38.1 secs Computing kpt #: 482 total cpu time spent up to now is 38.1 secs Computing kpt #: 483 total cpu time spent up to now is 38.2 secs Computing kpt #: 484 total cpu time spent up to now is 38.2 secs Computing kpt #: 485 total cpu time spent up to now is 38.3 secs Computing kpt #: 486 total cpu time spent up to now is 38.4 secs Computing kpt #: 487 total cpu time spent up to now is 38.4 secs Computing kpt #: 488 total cpu time spent up to now is 38.5 secs Computing kpt #: 489 total cpu time spent up to now is 38.5 secs Computing kpt #: 490 total cpu time spent up to now is 38.6 secs Computing kpt #: 491 total cpu time spent up to now is 38.7 secs Computing kpt #: 492 total cpu time spent up to now is 38.7 secs Computing kpt #: 493 total cpu time spent up to now is 38.8 secs Computing kpt #: 494 total cpu time spent up to now is 38.9 secs Computing kpt #: 495 total cpu time spent up to now is 39.0 secs Computing kpt #: 496 total cpu time spent up to now is 39.0 secs Computing kpt #: 497 total cpu time spent up to now is 39.1 secs Computing kpt #: 498 total cpu time spent up to now is 39.2 secs Computing kpt #: 499 total cpu time spent up to now is 39.3 secs Computing kpt #: 500 total cpu time spent up to now is 39.4 secs Computing kpt #: 501 total cpu time spent up to now is 39.4 secs Computing kpt #: 502 total cpu time spent up to now is 39.5 secs Computing kpt #: 503 total cpu time spent up to now is 39.6 secs Computing kpt #: 504 total cpu time spent up to now is 39.7 secs Computing kpt #: 505 total cpu time spent up to now is 39.8 secs Computing kpt #: 506 total cpu time spent up to now is 39.9 secs ethr = 7.14E-08, avg # of iterations = 12.9 total cpu time spent up to now is 39.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -48.5070 -48.5070 -22.7033 -22.7033 -14.8927 -14.8927 -14.8523 -14.8523 2.5499 2.5499 12.1708 12.1708 13.2996 13.2996 13.4542 13.4542 14.2156 14.2156 15.7550 15.7550 17.0746 17.0746 k = 0.0000 0.0000 0.0104 ( 991 PWs) bands (ev): -48.5070 -48.5070 -22.7035 -22.7035 -14.8933 -14.8933 -14.8525 -14.8525 2.5520 2.5520 12.1485 12.1485 13.3126 13.3126 13.4673 13.4673 14.2168 14.2168 15.7531 15.7531 17.0724 17.0724 k = 0.0000 0.0000 0.0209 ( 991 PWs) bands (ev): -48.5069 -48.5069 -22.7038 -22.7038 -14.8941 -14.8941 -14.8531 -14.8531 2.5583 2.5583 12.0861 12.0861 13.3407 13.3407 13.5126 13.5126 14.2205 14.2205 15.7474 15.7474 17.0660 17.0660 k = 0.0000 0.0000 0.0313 ( 991 PWs) bands (ev): -48.5068 -48.5068 -22.7043 -22.7043 -14.8955 -14.8955 -14.8540 -14.8540 2.5689 2.5689 11.9943 11.9943 13.3671 13.3671 13.5962 13.5962 14.2269 14.2269 15.7376 15.7376 17.0557 17.0557 k = 0.0000 0.0000 0.0418 ( 993 PWs) bands (ev): -48.5066 -48.5066 -22.7051 -22.7051 -14.8975 -14.8975 -14.8554 -14.8554 2.5836 2.5836 11.8833 11.8833 13.3887 13.3887 13.7104 13.7104 14.2364 14.2364 15.7234 15.7234 17.0421 17.0421 k = 0.0000 0.0000 0.0522 ( 997 PWs) bands (ev): -48.5064 -48.5064 -22.7061 -22.7061 -14.9002 -14.9002 -14.8571 -14.8571 2.6025 2.6025 11.7605 11.7605 13.4091 13.4091 13.8429 13.8429 14.2505 14.2505 15.7044 15.7044 17.0257 17.0257 k = 0.0000 0.0000 0.0626 ( 997 PWs) bands (ev): -48.5062 -48.5062 -22.7072 -22.7072 -14.9034 -14.9034 -14.8590 -14.8590 2.6255 2.6255 11.6306 11.6306 13.4307 13.4307 13.9829 13.9829 14.2727 14.2727 15.6802 15.6802 17.0076 17.0076 k = 0.0000 0.0000 0.0731 ( 997 PWs) bands (ev): -48.5058 -48.5058 -22.7085 -22.7085 -14.9073 -14.9073 -14.8612 -14.8612 2.6527 2.6527 11.4967 11.4967 13.4544 13.4544 14.1134 14.1134 14.3159 14.3159 15.6501 15.6501 16.9886 16.9886 k = 0.0000 0.0000 0.0835 ( 1001 PWs) bands (ev): -48.5055 -48.5055 -22.7102 -22.7102 -14.9119 -14.9119 -14.8637 -14.8637 2.6840 2.6840 11.3608 11.3608 13.4807 13.4807 14.2013 14.2013 14.4107 14.4107 15.6135 15.6135 16.9698 16.9698 k = 0.0000 0.0000 0.0940 ( 1001 PWs) bands (ev): -48.5051 -48.5051 -22.7118 -22.7118 -14.9170 -14.9170 -14.8664 -14.8664 2.7194 2.7194 11.2241 11.2241 13.5100 13.5100 14.2456 14.2456 14.5564 14.5564 15.5701 15.5701 16.9523 16.9523 k = 0.0000 0.0000 0.1044 ( 1001 PWs) bands (ev): -48.5047 -48.5047 -22.7137 -22.7137 -14.9228 -14.9228 -14.8692 -14.8692 2.7588 2.7588 11.0875 11.0875 13.5422 13.5422 14.2746 14.2746 14.7239 14.7239 15.5194 15.5194 16.9370 16.9370 k = 0.0000 0.0000 0.1149 ( 1001 PWs) bands (ev): -48.5042 -48.5042 -22.7158 -22.7158 -14.9293 -14.9293 -14.8722 -14.8722 2.8022 2.8022 10.9516 10.9516 13.5775 13.5775 14.2996 14.2996 14.9006 14.9006 15.4614 15.4614 16.9248 16.9248 k = 0.0000 0.0000 0.1253 ( 1001 PWs) bands (ev): -48.5036 -48.5036 -22.7180 -22.7180 -14.9363 -14.9363 -14.8754 -14.8754 2.8495 2.8495 10.8168 10.8168 13.6157 13.6157 14.3240 14.3240 15.0823 15.0823 15.3966 15.3966 16.9163 16.9163 k = 0.0000 0.0000 0.1357 ( 997 PWs) bands (ev): -48.5031 -48.5031 -22.7202 -22.7202 -14.9439 -14.9439 -14.8787 -14.8787 2.9008 2.9008 10.6834 10.6834 13.6569 13.6569 14.3490 14.3490 15.2590 15.2590 15.3334 15.3334 16.9120 16.9120 k = 0.0000 0.0000 0.1462 ( 1001 PWs) bands (ev): -48.5025 -48.5025 -22.7229 -22.7229 -14.9523 -14.9523 -14.8821 -14.8821 2.9559 2.9559 10.5517 10.5517 13.7010 13.7010 14.3747 14.3747 15.2377 15.2377 15.4646 15.4646 16.9124 16.9124 k = 0.0000 0.0000 0.1566 ( 1005 PWs) bands (ev): -48.5018 -48.5018 -22.7257 -22.7257 -14.9612 -14.9612 -14.8857 -14.8857 3.0148 3.0148 10.4217 10.4217 13.7476 13.7476 14.4014 14.4014 15.1541 15.1541 15.6547 15.6547 16.9177 16.9177 k = 0.0000 0.0000 0.1671 ( 1002 PWs) bands (ev): -48.5011 -48.5011 -22.7285 -22.7285 -14.9705 -14.9705 -14.8894 -14.8894 3.0774 3.0774 10.2938 10.2938 13.7967 13.7967 14.4284 14.4284 15.0647 15.0647 15.8477 15.8477 16.9282 16.9282 k = 0.0000 0.0000 0.1775 ( 1002 PWs) bands (ev): -48.5004 -48.5004 -22.7315 -22.7315 -14.9804 -14.9804 -14.8932 -14.8932 3.1437 3.1437 10.1679 10.1679 13.8478 13.8478 14.4550 14.4550 14.9728 14.9728 16.0418 16.0418 16.9442 16.9442 k = 0.0000 0.0000 0.1879 ( 1002 PWs) bands (ev): -48.4997 -48.4997 -22.7347 -22.7347 -14.9908 -14.9908 -14.8971 -14.8971 3.2135 3.2135 10.0442 10.0442 13.9000 13.9000 14.4787 14.4787 14.8822 14.8822 16.2355 16.2355 16.9669 16.9669 k = 0.0000 0.0000 0.1984 ( 998 PWs) bands (ev): -48.4989 -48.4989 -22.7378 -22.7378 -15.0014 -15.0014 -14.9011 -14.9011 3.2869 3.2869 9.9228 9.9228 13.9519 13.9519 14.4941 14.4941 14.8008 14.8008 16.4260 16.4260 16.9983 16.9983 k = 0.0000 0.0000 0.2088 ( 998 PWs) bands (ev): -48.4981 -48.4981 -22.7412 -22.7412 -15.0126 -15.0126 -14.9052 -14.9052 3.3638 3.3638 9.8037 9.8037 14.0005 14.0005 14.4893 14.4893 14.7440 14.7440 16.6074 16.6074 17.0440 17.0440 k = 0.0000 0.0000 0.2193 ( 1002 PWs) bands (ev): -48.4972 -48.4972 -22.7448 -22.7448 -15.0242 -15.0242 -14.9095 -14.9095 3.4440 3.4440 9.6869 9.6869 14.0390 14.0390 14.4569 14.4569 14.7269 14.7269 16.7667 16.7667 17.1166 17.1166 k = 0.0000 0.0000 0.2297 ( 1002 PWs) bands (ev): -48.4964 -48.4964 -22.7484 -22.7484 -15.0361 -15.0361 -14.9138 -14.9138 3.5275 3.5275 9.5725 9.5725 14.0525 14.0525 14.4194 14.4194 14.7420 14.7420 16.8852 16.8852 17.2343 17.2343 k = 0.0000 0.0000 0.2401 ( 1002 PWs) bands (ev): -48.4955 -48.4955 -22.7521 -22.7521 -15.0482 -15.0482 -14.9182 -14.9182 3.6142 3.6142 9.4606 9.4606 14.0221 14.0221 14.4117 14.4117 14.7743 14.7743 16.9632 16.9632 17.3966 17.3966 k = 0.0000 0.0000 0.2506 ( 1002 PWs) bands (ev): -48.4946 -48.4946 -22.7559 -22.7559 -15.0606 -15.0606 -14.9227 -14.9227 3.7041 3.7041 9.3512 9.3512 13.9481 13.9481 14.4419 14.4419 14.8156 14.8156 17.0193 17.0193 17.5844 17.5844 k = 0.0000 0.0000 0.2610 ( 1002 PWs) bands (ev): -48.4937 -48.4937 -22.7597 -22.7597 -15.0732 -15.0732 -14.9273 -14.9273 3.7969 3.7969 9.2443 9.2443 13.8478 13.8478 14.4963 14.4963 14.8629 14.8629 17.0665 17.0665 17.7845 17.7845 k = 0.0000 0.0000 0.2715 ( 998 PWs) bands (ev): -48.4927 -48.4927 -22.7635 -22.7635 -15.0859 -15.0859 -14.9318 -14.9318 3.8927 3.8927 9.1399 9.1399 13.7341 13.7341 14.5638 14.5638 14.9147 14.9147 17.1101 17.1101 17.9910 17.9910 k = 0.0000 0.0000 0.2819 ( 996 PWs) bands (ev): -48.4918 -48.4918 -22.7674 -22.7674 -15.0988 -15.0988 -14.9364 -14.9364 3.9913 3.9913 9.0380 9.0380 13.6133 13.6133 14.6387 14.6387 14.9707 14.9707 17.1526 17.1526 18.2013 18.2013 k = 0.0000 0.0000 0.2923 ( 992 PWs) bands (ev): -48.4908 -48.4908 -22.7713 -22.7713 -15.1118 -15.1118 -14.9410 -14.9410 4.0926 4.0926 8.9388 8.9388 13.4884 13.4884 14.7185 14.7185 15.0306 15.0306 17.1947 17.1947 18.4142 18.4142 k = 0.0000 0.0000 0.3028 ( 992 PWs) bands (ev): -48.4898 -48.4898 -22.7754 -22.7754 -15.1250 -15.1250 -14.9458 -14.9458 4.1965 4.1965 8.8421 8.8421 13.3611 13.3611 14.8016 14.8016 15.0947 15.0947 17.2371 17.2371 18.6288 18.6288 k = 0.0000 0.0000 0.3132 ( 992 PWs) bands (ev): -48.4888 -48.4888 -22.7795 -22.7795 -15.1382 -15.1382 -14.9505 -14.9505 4.3029 4.3029 8.7480 8.7480 13.2325 13.2325 14.8870 14.8870 15.1631 15.1631 17.2797 17.2797 18.8446 18.8446 k = 0.0000 0.0000 0.3237 ( 992 PWs) bands (ev): -48.4878 -48.4878 -22.7836 -22.7836 -15.1514 -15.1514 -14.9552 -14.9552 4.4117 4.4117 8.6565 8.6565 13.1032 13.1032 14.9739 14.9739 15.2362 15.2362 17.3226 17.3226 19.0614 19.0614 k = 0.0000 0.0000 0.3341 ( 992 PWs) bands (ev): -48.4868 -48.4868 -22.7877 -22.7877 -15.1645 -15.1645 -14.9600 -14.9600 4.5228 4.5228 8.5677 8.5677 12.9736 12.9736 15.0614 15.0614 15.3146 15.3146 17.3658 17.3658 19.2788 19.2788 k = 0.0000 0.0000 0.3446 ( 996 PWs) bands (ev): -48.4859 -48.4859 -22.7919 -22.7919 -15.1778 -15.1778 -14.9648 -14.9648 4.6360 4.6360 8.4814 8.4814 12.8441 12.8441 15.1490 15.1490 15.3986 15.3986 17.4091 17.4091 19.4964 19.4964 k = 0.0000 0.0000 0.3550 ( 996 PWs) bands (ev): -48.4849 -48.4849 -22.7960 -22.7960 -15.1908 -15.1908 -14.9695 -14.9695 4.7512 4.7512 8.3979 8.3979 12.7149 12.7149 15.2363 15.2363 15.4884 15.4884 17.4524 17.4524 19.7142 19.7142 k = 0.0000 0.0000 0.3654 ( 1000 PWs) bands (ev): -48.4839 -48.4839 -22.8002 -22.8002 -15.2038 -15.2038 -14.9742 -14.9742 4.8683 4.8683 8.3170 8.3170 12.5864 12.5864 15.3230 15.3230 15.5841 15.5841 17.4955 17.4955 19.9317 19.9317 k = 0.0000 0.0000 0.3759 ( 992 PWs) bands (ev): -48.4829 -48.4829 -22.8040 -22.8040 -15.2165 -15.2165 -14.9787 -14.9787 4.9872 4.9872 8.2388 8.2388 12.4585 12.4585 15.4094 15.4094 15.6854 15.6854 17.5383 17.5383 20.1489 20.1489 k = 0.0000 0.0000 0.3863 ( 994 PWs) bands (ev): -48.4819 -48.4819 -22.8080 -22.8080 -15.2291 -15.2291 -14.9833 -14.9833 5.1076 5.1076 8.1633 8.1633 12.3315 12.3315 15.4956 15.4956 15.7920 15.7920 17.5806 17.5806 20.3653 20.3653 k = 0.0000 0.0000 0.3968 ( 994 PWs) bands (ev): -48.4810 -48.4810 -22.8120 -22.8120 -15.2415 -15.2415 -14.9878 -14.9878 5.2296 5.2296 8.0904 8.0904 12.2054 12.2054 15.5820 15.5820 15.9034 15.9034 17.6221 17.6221 20.5806 20.5806 k = 0.0000 0.0000 0.4072 ( 994 PWs) bands (ev): -48.4800 -48.4800 -22.8159 -22.8159 -15.2537 -15.2537 -14.9922 -14.9922 5.3528 5.3528 8.0203 8.0203 12.0805 12.0805 15.6690 15.6690 16.0191 16.0191 17.6627 17.6627 20.7946 20.7946 k = 0.0000 0.0000 0.4176 ( 990 PWs) bands (ev): -48.4791 -48.4791 -22.8196 -22.8196 -15.2655 -15.2655 -14.9966 -14.9966 5.4772 5.4772 7.9529 7.9529 11.9566 11.9566 15.7568 15.7568 16.1387 16.1387 17.7023 17.7023 21.0070 21.0070 k = 0.0000 0.0000 0.4281 ( 990 PWs) bands (ev): -48.4782 -48.4782 -22.8233 -22.8233 -15.2771 -15.2771 -15.0008 -15.0008 5.6025 5.6025 7.8882 7.8882 11.8339 11.8339 15.8458 15.8458 16.2617 16.2617 17.7405 17.7405 21.2172 21.2172 k = 0.0000 0.0000 0.4385 ( 990 PWs) bands (ev): -48.4773 -48.4773 -22.8270 -22.8270 -15.2884 -15.2884 -15.0050 -15.0050 5.7287 5.7287 7.8262 7.8262 11.7124 11.7124 15.9360 15.9360 16.3880 16.3880 17.7772 17.7772 21.4250 21.4250 k = 0.0000 0.0000 0.4490 ( 990 PWs) bands (ev): -48.4764 -48.4764 -22.8305 -22.8305 -15.2994 -15.2994 -15.0091 -15.0091 5.8555 5.8555 7.7669 7.7669 11.5921 11.5921 16.0277 16.0277 16.5172 16.5172 17.8122 17.8122 21.6294 21.6294 k = 0.0000 0.0000 0.4594 ( 990 PWs) bands (ev): -48.4756 -48.4756 -22.8340 -22.8340 -15.3100 -15.3100 -15.0130 -15.0130 5.9827 5.9827 7.7104 7.7104 11.4732 11.4732 16.1207 16.1207 16.6490 16.6490 17.8455 17.8455 21.8260 21.8260 k = 0.0000 0.0000 0.4698 ( 990 PWs) bands (ev): -48.4748 -48.4748 -22.8373 -22.8373 -15.3202 -15.3202 -15.0168 -15.0168 6.1101 6.1101 7.6566 7.6566 11.3555 11.3555 16.2151 16.2151 16.7830 16.7830 17.8769 17.8769 21.8020 21.8020 k = 0.0000 0.0000 0.4803 ( 994 PWs) bands (ev): -48.4740 -48.4740 -22.8406 -22.8406 -15.3301 -15.3301 -15.0205 -15.0205 6.2375 6.2375 7.6055 7.6055 11.2392 11.2392 16.3110 16.3110 16.9191 16.9191 17.9063 17.9063 21.6908 21.6908 k = 0.0000 0.0000 0.4907 ( 994 PWs) bands (ev): -48.4733 -48.4733 -22.8437 -22.8437 -15.3396 -15.3396 -15.0240 -15.0240 6.3646 6.3646 7.5571 7.5571 11.1242 11.1242 16.4082 16.4082 17.0568 17.0568 17.9338 17.9338 21.5786 21.5786 k = 0.0000 0.0000 0.5012 ( 990 PWs) bands (ev): -48.4725 -48.4725 -22.8466 -22.8466 -15.3484 -15.3484 -15.0273 -15.0273 6.4912 6.4912 7.5115 7.5115 11.0107 11.0107 16.5065 16.5065 17.1955 17.1955 17.9597 17.9597 21.4656 21.4656 k = 0.0000 0.0000 0.5116 ( 986 PWs) bands (ev): -48.4718 -48.4718 -22.8493 -22.8493 -15.3569 -15.3569 -15.0304 -15.0304 6.6171 6.6171 7.4687 7.4687 10.8987 10.8987 16.6059 16.6059 17.3345 17.3345 17.9845 17.9845 21.3510 21.3510 k = 0.0000 0.0000 0.5221 ( 986 PWs) bands (ev): -48.4712 -48.4712 -22.8519 -22.8519 -15.3649 -15.3649 -15.0334 -15.0334 6.7417 6.7417 7.4286 7.4286 10.7884 10.7884 16.7061 16.7061 17.4723 17.4723 18.0092 18.0092 21.2337 21.2337 k = 0.0000 0.0000 0.5325 ( 990 PWs) bands (ev): -48.4706 -48.4706 -22.8545 -22.8545 -15.3726 -15.3726 -15.0363 -15.0363 6.8648 6.8648 7.3912 7.3912 10.6798 10.6798 16.8068 16.8068 17.6064 17.6064 18.0361 18.0361 21.1127 21.1127 k = 0.0000 0.0000 0.5429 ( 988 PWs) bands (ev): -48.4700 -48.4700 -22.8568 -22.8568 -15.3796 -15.3796 -15.0389 -15.0389 6.9860 6.9860 7.3567 7.3567 10.5732 10.5732 16.9077 16.9077 17.7314 17.7314 18.0705 18.0705 20.9878 20.9878 k = 0.0000 0.0000 0.5534 ( 984 PWs) bands (ev): -48.4695 -48.4695 -22.8589 -22.8589 -15.3861 -15.3861 -15.0413 -15.0413 7.1047 7.1047 7.3248 7.3248 10.4689 10.4689 17.0083 17.0083 17.8365 17.8365 18.1227 18.1227 20.8598 20.8598 k = 0.0000 0.0000 0.5638 ( 988 PWs) bands (ev): -48.4690 -48.4690 -22.8610 -22.8610 -15.3922 -15.3922 -15.0436 -15.0436 7.2202 7.2202 7.2958 7.2958 10.3672 10.3672 17.1079 17.1079 17.9090 17.9090 18.2049 18.2049 20.7303 20.7303 k = 0.0000 0.0000 0.5743 ( 988 PWs) bands (ev): -48.4685 -48.4685 -22.8628 -22.8628 -15.3977 -15.3977 -15.0457 -15.0457 7.2694 7.2694 7.3321 7.3321 10.2688 10.2688 17.2057 17.2057 17.9506 17.9506 18.3152 18.3152 20.6015 20.6015 k = 0.0000 0.0000 0.5847 ( 990 PWs) bands (ev): -48.4681 -48.4681 -22.8645 -22.8645 -15.4027 -15.4027 -15.0475 -15.0475 7.2459 7.2459 7.4391 7.4391 10.1742 10.1742 17.3010 17.3010 17.9738 17.9738 18.4402 18.4402 20.4754 20.4754 k = 0.0000 0.0000 0.5951 ( 990 PWs) bands (ev): -48.4678 -48.4678 -22.8660 -22.8660 -15.4071 -15.4071 -15.0492 -15.0492 7.2251 7.2251 7.5404 7.5404 10.0844 10.0844 17.3922 17.3922 17.9876 17.9876 18.5700 18.5700 20.3542 20.3542 k = 0.0000 0.0000 0.6056 ( 990 PWs) bands (ev): -48.4675 -48.4675 -22.8673 -22.8673 -15.4109 -15.4109 -15.0506 -15.0506 7.2071 7.2071 7.6346 7.6346 10.0006 10.0006 17.4780 17.4780 17.9964 17.9964 18.6987 18.6987 20.2400 20.2400 k = 0.0000 0.0000 0.6160 ( 990 PWs) bands (ev): -48.4672 -48.4672 -22.8684 -22.8684 -15.4142 -15.4142 -15.0518 -15.0518 7.1919 7.1919 7.7200 7.7200 9.9243 9.9243 17.5563 17.5563 18.0027 18.0027 18.8218 18.8218 20.1352 20.1352 k = 0.0000 0.0000 0.6265 ( 990 PWs) bands (ev): -48.4670 -48.4670 -22.8693 -22.8693 -15.4168 -15.4168 -15.0529 -15.0529 7.1794 7.1794 7.7946 7.7946 9.8573 9.8573 17.6249 17.6249 18.0075 18.0075 18.9353 18.9353 20.0422 20.0422 k = 0.0000 0.0000 0.6369 ( 990 PWs) bands (ev): -48.4668 -48.4668 -22.8699 -22.8699 -15.4189 -15.4189 -15.0536 -15.0536 7.1697 7.1697 7.8563 7.8563 9.8016 9.8016 17.6813 17.6813 18.0116 18.0116 19.0341 19.0341 19.9639 19.9639 k = 0.0000 0.0000 0.6473 ( 990 PWs) bands (ev): -48.4667 -48.4667 -22.8704 -22.8704 -15.4203 -15.4203 -15.0542 -15.0542 7.1628 7.1628 7.9026 7.9026 9.7597 9.7597 17.7233 17.7233 18.0152 18.0152 19.1124 19.1124 19.9035 19.9035 k = 0.0000 0.0000 0.6578 ( 982 PWs) bands (ev): -48.4666 -48.4666 -22.8705 -22.8705 -15.4210 -15.4210 -15.0544 -15.0544 7.1586 7.1586 7.9316 7.9316 9.7335 9.7335 17.7491 17.7491 18.0177 18.0177 19.1635 19.1635 19.8649 19.8649 k = 0.0000 0.0000 0.6682 ( 986 PWs) bands (ev): -48.4666 -48.4666 -22.8707 -22.8707 -15.4214 -15.4214 -15.0546 -15.0546 7.1572 7.1572 7.9414 7.9414 9.7246 9.7246 17.7578 17.7578 18.0187 18.0187 19.1814 19.1814 19.8515 19.8515 k = 0.0000 0.0000 0.6682 ( 986 PWs) bands (ev): -48.4666 -48.4666 -22.8707 -22.8707 -15.4214 -15.4214 -15.0546 -15.0546 7.1572 7.1572 7.9414 7.9414 9.7246 9.7246 17.7578 17.7578 18.0187 18.0187 19.1814 19.1814 19.8515 19.8515 k =-0.0078 0.0069 0.6682 ( 986 PWs) bands (ev): -48.4666 -48.4666 -22.8707 -22.8707 -15.4214 -15.4214 -15.0548 -15.0548 7.1582 7.1582 7.9401 7.9401 9.7267 9.7267 17.7576 17.7576 18.0001 18.0001 19.1793 19.1793 19.8697 19.8697 k =-0.0155 0.0138 0.6682 ( 990 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.4212 -15.4212 -15.0554 -15.0554 7.1614 7.1614 7.9364 7.9364 9.7329 9.7329 17.7553 17.7553 17.9484 17.9484 19.1739 19.1739 19.9207 19.9207 k =-0.0233 0.0206 0.6682 ( 986 PWs) bands (ev): -48.4665 -48.4665 -22.8709 -22.8709 -15.4207 -15.4207 -15.0563 -15.0563 7.1668 7.1668 7.9302 7.9302 9.7434 9.7434 17.7395 17.7395 17.8810 17.8810 19.1668 19.1668 19.9959 19.9959 k =-0.0310 0.0275 0.6682 ( 990 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.4202 -15.4202 -15.0577 -15.0577 7.1742 7.1742 7.9215 7.9215 9.7579 9.7579 17.6754 17.6754 17.8396 17.8396 19.1594 19.1594 20.0848 20.0848 k =-0.0388 0.0344 0.6682 ( 990 PWs) bands (ev): -48.4664 -48.4664 -22.8714 -22.8714 -15.4195 -15.4195 -15.0594 -15.0594 7.1836 7.1836 7.9105 7.9105 9.7765 9.7765 17.5585 17.5585 17.8354 17.8354 19.1520 19.1520 20.1777 20.1777 k =-0.0465 0.0413 0.6682 ( 994 PWs) bands (ev): -48.4663 -48.4663 -22.8717 -22.8717 -15.4188 -15.4188 -15.0614 -15.0614 7.1951 7.1951 7.8971 7.8971 9.7992 9.7992 17.4167 17.4167 17.8460 17.8460 19.1448 19.1448 20.2666 20.2666 k =-0.0543 0.0481 0.6682 ( 994 PWs) bands (ev): -48.4662 -48.4662 -22.8720 -22.8720 -15.4178 -15.4178 -15.0638 -15.0638 7.2085 7.2085 7.8816 7.8816 9.8259 9.8259 17.2621 17.2621 17.8631 17.8631 19.1377 19.1377 20.3455 20.3455 k =-0.0621 0.0550 0.6682 ( 994 PWs) bands (ev): -48.4661 -48.4661 -22.8723 -22.8723 -15.4167 -15.4167 -15.0665 -15.0665 7.2238 7.2238 7.8640 7.8640 9.8565 9.8565 17.1000 17.1000 17.8844 17.8844 19.1306 19.1306 20.4108 20.4108 k =-0.0698 0.0619 0.6682 ( 994 PWs) bands (ev): -48.4659 -48.4659 -22.8726 -22.8726 -15.4154 -15.4154 -15.0696 -15.0696 7.2409 7.2409 7.8445 7.8445 9.8909 9.8909 16.9333 16.9333 17.9091 17.9091 19.1233 19.1233 20.4619 20.4619 k =-0.0776 0.0688 0.6682 ( 998 PWs) bands (ev): -48.4658 -48.4658 -22.8731 -22.8731 -15.4140 -15.4140 -15.0731 -15.0731 7.2596 7.2596 7.8232 7.8232 9.9291 9.9291 16.7641 16.7641 17.9368 17.9368 19.1157 19.1157 20.4995 20.4995 k =-0.0853 0.0756 0.6682 ( 994 PWs) bands (ev): -48.4656 -48.4656 -22.8734 -22.8734 -15.4124 -15.4124 -15.0767 -15.0767 7.2799 7.2799 7.8005 7.8005 9.9709 9.9709 16.5938 16.5938 17.9671 17.9671 19.1079 19.1079 20.5258 20.5258 k =-0.0931 0.0825 0.6682 ( 998 PWs) bands (ev): -48.4654 -48.4654 -22.8740 -22.8740 -15.4108 -15.4108 -15.0808 -15.0808 7.3013 7.3013 7.7765 7.7765 10.0162 10.0162 16.4236 16.4236 17.9998 17.9998 19.0996 19.0996 20.5424 20.5424 k =-0.1008 0.0894 0.6682 ( 1002 PWs) bands (ev): -48.4653 -48.4653 -22.8746 -22.8746 -15.4091 -15.4091 -15.0851 -15.0851 7.3235 7.3235 7.7517 7.7517 10.0648 10.0648 16.2542 16.2542 18.0347 18.0347 19.0910 19.0910 20.5501 20.5501 k =-0.1086 0.0963 0.6682 ( 1002 PWs) bands (ev): -48.4651 -48.4651 -22.8751 -22.8751 -15.4071 -15.4071 -15.0897 -15.0897 7.3460 7.3460 7.7269 7.7269 10.1166 10.1166 16.0867 16.0867 18.0715 18.0715 19.0820 19.0820 20.5452 20.5452 k =-0.1163 0.1032 0.6682 ( 1002 PWs) bands (ev): -48.4648 -48.4648 -22.8757 -22.8757 -15.4051 -15.4051 -15.0945 -15.0945 7.3678 7.3678 7.7030 7.7030 10.1713 10.1713 15.9215 15.9215 18.1101 18.1101 19.0726 19.0726 20.5137 20.5137 k =-0.1241 0.1100 0.6682 ( 1002 PWs) bands (ev): -48.4646 -48.4646 -22.8763 -22.8763 -15.4030 -15.4030 -15.0995 -15.0995 7.3873 7.3873 7.6816 7.6816 10.2288 10.2288 15.7593 15.7593 18.1503 18.1503 19.0629 19.0629 20.4632 20.4632 k =-0.1319 0.1169 0.6682 ( 1002 PWs) bands (ev): -48.4643 -48.4643 -22.8769 -22.8769 -15.4007 -15.4007 -15.1048 -15.1048 7.4022 7.4022 7.6651 7.6651 10.2887 10.2887 15.6007 15.6007 18.1917 18.1917 19.0529 19.0529 20.4074 20.4074 k =-0.1396 0.1238 0.6682 ( 1006 PWs) bands (ev): -48.4641 -48.4641 -22.8777 -22.8777 -15.3985 -15.3985 -15.1104 -15.1104 7.4092 7.4092 7.6568 7.6568 10.3507 10.3507 15.4462 15.4462 18.2341 18.2341 19.0426 19.0426 20.3495 20.3495 k =-0.1474 0.1307 0.6682 ( 1006 PWs) bands (ev): -48.4638 -48.4638 -22.8784 -22.8784 -15.3961 -15.3961 -15.1160 -15.1160 7.4056 7.4056 7.6595 7.6595 10.4145 10.4145 15.2964 15.2964 18.2773 18.2773 19.0321 19.0321 20.2905 20.2905 k =-0.1551 0.1375 0.6682 ( 1006 PWs) bands (ev): -48.4636 -48.4636 -22.8791 -22.8791 -15.3936 -15.3936 -15.1218 -15.1218 7.3912 7.3912 7.6736 7.6736 10.4796 10.4796 15.1520 15.1520 18.3210 18.3210 19.0214 19.0214 20.2309 20.2309 k =-0.1629 0.1444 0.6682 ( 1006 PWs) bands (ev): -48.4633 -48.4633 -22.8799 -22.8799 -15.3911 -15.3911 -15.1277 -15.1277 7.3678 7.3678 7.6971 7.6971 10.5455 10.5455 15.0135 15.0135 18.3649 18.3649 19.0107 19.0107 20.1710 20.1710 k =-0.1706 0.1513 0.6682 ( 1006 PWs) bands (ev): -48.4630 -48.4630 -22.8806 -22.8806 -15.3885 -15.3885 -15.1338 -15.1338 7.3381 7.3381 7.7274 7.7274 10.6117 10.6117 14.8817 14.8817 18.4087 18.4087 19.0001 19.0001 20.1110 20.1110 k =-0.1784 0.1582 0.6682 ( 1002 PWs) bands (ev): -48.4626 -48.4626 -22.8813 -22.8813 -15.3858 -15.3858 -15.1399 -15.1399 7.3043 7.3043 7.7624 7.7624 10.6775 10.6775 14.7573 14.7573 18.4520 18.4520 18.9897 18.9897 20.0511 20.0511 k =-0.1862 0.1651 0.6682 ( 1002 PWs) bands (ev): -48.4623 -48.4623 -22.8821 -22.8821 -15.3832 -15.3832 -15.1460 -15.1460 7.2676 7.2676 7.8010 7.8010 10.7421 10.7421 14.6413 14.6413 18.4944 18.4944 18.9796 18.9796 19.9914 19.9914 k =-0.1939 0.1719 0.6682 ( 1002 PWs) bands (ev): -48.4620 -48.4620 -22.8829 -22.8829 -15.3806 -15.3806 -15.1523 -15.1523 7.2289 7.2289 7.8421 7.8421 10.8046 10.8046 14.5345 14.5345 18.5354 18.5354 18.9703 18.9703 19.9322 19.9322 k =-0.2017 0.1788 0.6682 ( 1002 PWs) bands (ev): -48.4617 -48.4617 -22.8838 -22.8838 -15.3781 -15.3781 -15.1585 -15.1585 7.1887 7.1887 7.8852 7.8852 10.8640 10.8640 14.4380 14.4380 18.5745 18.5745 18.9620 18.9620 19.8736 19.8736 k =-0.2094 0.1857 0.6682 ( 1004 PWs) bands (ev): -48.4614 -48.4614 -22.8847 -22.8847 -15.3756 -15.3756 -15.1646 -15.1646 7.1476 7.1476 7.9300 7.9300 10.9194 10.9194 14.3529 14.3529 18.6110 18.6110 18.9552 18.9552 19.8157 19.8157 k =-0.2172 0.1926 0.6682 ( 1004 PWs) bands (ev): -48.4610 -48.4610 -22.8856 -22.8856 -15.3732 -15.3732 -15.1707 -15.1707 7.1058 7.1058 7.9762 7.9762 10.9695 10.9695 14.2804 14.2804 18.6438 18.6438 18.9506 18.9506 19.7586 19.7586 k =-0.2249 0.1994 0.6682 ( 1002 PWs) bands (ev): -48.4607 -48.4607 -22.8864 -22.8864 -15.3707 -15.3707 -15.1768 -15.1768 7.0636 7.0636 8.0235 8.0235 11.0131 11.0131 14.2217 14.2217 18.6722 18.6722 18.9491 18.9491 19.7026 19.7026 k =-0.2327 0.2063 0.6682 ( 1008 PWs) bands (ev): -48.4604 -48.4604 -22.8875 -22.8875 -15.3686 -15.3686 -15.1828 -15.1828 7.0210 7.0210 8.0716 8.0716 11.0493 11.0493 14.1779 14.1779 18.6948 18.6948 18.9514 18.9514 19.6477 19.6477 k =-0.2405 0.2132 0.6682 ( 1004 PWs) bands (ev): -48.4600 -48.4600 -22.8883 -22.8883 -15.3665 -15.3665 -15.1883 -15.1883 6.9784 6.9784 8.1207 8.1207 11.0769 11.0769 14.1500 14.1500 18.7110 18.7110 18.9583 18.9583 19.5942 19.5942 k =-0.2482 0.2201 0.6682 ( 1004 PWs) bands (ev): -48.4597 -48.4597 -22.8892 -22.8892 -15.3647 -15.3647 -15.1937 -15.1937 6.9358 6.9358 8.1702 8.1702 11.0953 11.0953 14.1387 14.1387 18.7205 18.7205 18.9694 18.9694 19.5423 19.5423 k =-0.2560 0.2269 0.6682 ( 1004 PWs) bands (ev): -48.4593 -48.4593 -22.8901 -22.8901 -15.3630 -15.3630 -15.1989 -15.1989 6.8934 6.8934 8.2202 8.2202 11.1041 11.1041 14.1445 14.1445 18.7240 18.7240 18.9840 18.9840 19.4921 19.4921 k =-0.2637 0.2338 0.6682 ( 1006 PWs) bands (ev): -48.4590 -48.4590 -22.8910 -22.8910 -15.3617 -15.3617 -15.2038 -15.2038 6.8513 6.8513 8.2705 8.2705 11.1030 11.1030 14.1674 14.1674 18.7227 18.7227 19.0006 19.0006 19.4441 19.4441 k =-0.2715 0.2407 0.6682 ( 1006 PWs) bands (ev): -48.4587 -48.4587 -22.8920 -22.8920 -15.3606 -15.3606 -15.2083 -15.2083 6.8096 6.8096 8.3210 8.3210 11.0925 11.0925 14.2071 14.2071 18.7177 18.7177 19.0173 19.0173 19.3988 19.3988 k =-0.2792 0.2476 0.6682 ( 1006 PWs) bands (ev): -48.4583 -48.4583 -22.8929 -22.8929 -15.3599 -15.3599 -15.2124 -15.2124 6.7684 6.7684 8.3716 8.3716 11.0732 11.0732 14.2629 14.2629 18.7100 18.7100 19.0324 19.0324 19.3569 19.3569 k =-0.2870 0.2545 0.6682 ( 1002 PWs) bands (ev): -48.4580 -48.4580 -22.8937 -22.8937 -15.3595 -15.3595 -15.2159 -15.2159 6.7278 6.7278 8.4220 8.4220 11.0459 11.0459 14.3340 14.3340 18.7004 18.7004 19.0442 19.0442 19.3195 19.3195 k =-0.2948 0.2613 0.6682 ( 998 PWs) bands (ev): -48.4576 -48.4576 -22.8944 -22.8944 -15.3594 -15.3594 -15.2190 -15.2190 6.6880 6.6880 8.4722 8.4722 11.0116 11.0116 14.4192 14.4192 18.6895 18.6895 19.0504 19.0504 19.2884 19.2884 k =-0.3025 0.2682 0.6682 ( 998 PWs) bands (ev): -48.4573 -48.4573 -22.8953 -22.8953 -15.3598 -15.3598 -15.2217 -15.2217 6.6489 6.6489 8.5220 8.5220 10.9716 10.9716 14.5173 14.5173 18.6775 18.6775 19.0489 19.0489 19.2651 19.2651 k =-0.3103 0.2751 0.6682 ( 998 PWs) bands (ev): -48.4570 -48.4570 -22.8962 -22.8962 -15.3607 -15.3607 -15.2239 -15.2239 6.6107 6.6107 8.5714 8.5714 10.9269 10.9269 14.6272 14.6272 18.6647 18.6647 19.0387 19.0387 19.2509 19.2509 k =-0.3180 0.2820 0.6682 ( 998 PWs) bands (ev): -48.4567 -48.4567 -22.8970 -22.8970 -15.3618 -15.3618 -15.2257 -15.2257 6.5734 6.5734 8.6201 8.6201 10.8786 10.8786 14.7477 14.7477 18.6514 18.6514 19.0204 19.0204 19.2446 19.2446 k =-0.3180 0.2820 0.6682 ( 998 PWs) bands (ev): -48.4567 -48.4567 -22.8970 -22.8970 -15.3618 -15.3618 -15.2257 -15.2257 6.5734 6.5734 8.6201 8.6201 10.8786 10.8786 14.7477 14.7477 18.6514 18.6514 19.0204 19.0204 19.2446 19.2446 k =-0.3234 0.2867 0.6611 ( 998 PWs) bands (ev): -48.4565 -48.4565 -22.8976 -22.8976 -15.3628 -15.3628 -15.2265 -15.2265 6.5480 6.5480 8.6531 8.6531 10.8445 10.8445 14.8373 14.8373 18.6258 18.6258 19.0131 19.0131 19.2318 19.2318 k =-0.3287 0.2915 0.6539 ( 996 PWs) bands (ev): -48.4563 -48.4563 -22.8980 -22.8980 -15.3639 -15.3639 -15.2271 -15.2271 6.5228 6.5228 8.6855 8.6855 10.8109 10.8109 14.9330 14.9330 18.5744 18.5744 19.0114 19.0114 19.2014 19.2014 k =-0.3341 0.2962 0.6468 ( 998 PWs) bands (ev): -48.4561 -48.4561 -22.8985 -22.8985 -15.3650 -15.3650 -15.2275 -15.2275 6.4981 6.4981 8.7169 8.7169 10.7782 10.7782 15.0340 15.0340 18.5090 18.5090 18.9838 18.9838 19.1806 19.1806 k =-0.3394 0.3009 0.6396 ( 998 PWs) bands (ev): -48.4559 -48.4559 -22.8990 -22.8990 -15.3662 -15.3662 -15.2276 -15.2276 6.4740 6.4740 8.7472 8.7472 10.7467 10.7467 15.1398 15.1398 18.4382 18.4382 18.9098 18.9098 19.1914 19.1914 k =-0.3448 0.3057 0.6325 ( 994 PWs) bands (ev): -48.4558 -48.4558 -22.8992 -22.8992 -15.3674 -15.3674 -15.2275 -15.2275 6.4508 6.4508 8.7762 8.7762 10.7167 10.7167 15.2500 15.2500 18.3663 18.3663 18.8058 18.8058 19.2208 19.2208 k =-0.3501 0.3104 0.6253 ( 996 PWs) bands (ev): -48.4556 -48.4556 -22.8996 -22.8996 -15.3686 -15.3686 -15.2274 -15.2274 6.4287 6.4287 8.8037 8.8037 10.6883 10.6883 15.3639 15.3639 18.2955 18.2955 18.6875 18.6875 19.2561 19.2561 k =-0.3555 0.3152 0.6182 ( 998 PWs) bands (ev): -48.4555 -48.4555 -22.9000 -22.9000 -15.3698 -15.3698 -15.2271 -15.2271 6.4079 6.4079 8.8295 8.8295 10.6618 10.6618 15.4809 15.4809 18.2265 18.2265 18.5627 18.5627 19.2923 19.2923 k =-0.3608 0.3199 0.6110 ( 1000 PWs) bands (ev): -48.4554 -48.4554 -22.9003 -22.9003 -15.3709 -15.3709 -15.2269 -15.2269 6.3886 6.3886 8.8535 8.8535 10.6374 10.6374 15.6004 15.6004 18.1586 18.1586 18.4367 18.4367 19.3272 19.3272 k =-0.3662 0.3247 0.6038 ( 999 PWs) bands (ev): -48.4553 -48.4553 -22.9005 -22.9005 -15.3720 -15.3720 -15.2264 -15.2264 6.3709 6.3709 8.8755 8.8755 10.6152 10.6152 15.7217 15.7217 18.0891 18.0891 18.3153 18.3153 19.3598 19.3598 k =-0.3715 0.3294 0.5967 ( 995 PWs) bands (ev): -48.4552 -48.4552 -22.9006 -22.9006 -15.3728 -15.3728 -15.2259 -15.2259 6.3549 6.3549 8.8953 8.8953 10.5954 10.5954 15.8437 15.8437 18.0118 18.0118 18.2072 18.2072 19.3894 19.3894 k =-0.3769 0.3342 0.5895 ( 999 PWs) bands (ev): -48.4552 -48.4552 -22.9009 -22.9009 -15.3738 -15.3738 -15.2256 -15.2256 6.3408 6.3408 8.9128 8.9128 10.5779 10.5779 15.9652 15.9652 17.9188 17.9188 18.1223 18.1223 19.4155 19.4155 k =-0.3822 0.3389 0.5824 ( 997 PWs) bands (ev): -48.4551 -48.4551 -22.9010 -22.9010 -15.3745 -15.3745 -15.2252 -15.2252 6.3287 6.3287 8.9278 8.9278 10.5631 10.5631 16.0845 16.0845 17.8116 17.8116 18.0618 18.0618 19.4380 19.4380 k =-0.3876 0.3437 0.5752 ( 999 PWs) bands (ev): -48.4551 -48.4551 -22.9012 -22.9012 -15.3751 -15.3751 -15.2249 -15.2249 6.3187 6.3187 8.9402 8.9402 10.5508 10.5508 16.1986 16.1986 17.7002 17.7002 18.0189 18.0189 19.4566 19.4566 k =-0.3930 0.3484 0.5681 ( 997 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3756 -15.3756 -15.2246 -15.2246 6.3108 6.3108 8.9501 8.9501 10.5412 10.5412 16.3032 16.3032 17.5946 17.5946 17.9883 17.9883 19.4712 19.4712 k =-0.3983 0.3531 0.5609 ( 995 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3759 -15.3759 -15.2244 -15.2244 6.3052 6.3052 8.9571 8.9571 10.5343 10.5343 16.3912 16.3912 17.5047 17.5047 17.9674 17.9674 19.4817 19.4817 k =-0.4037 0.3579 0.5538 ( 992 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3760 -15.3760 -15.2243 -15.2243 6.3018 6.3018 8.9614 8.9614 10.5302 10.5302 16.4521 16.4521 17.4423 17.4423 17.9552 17.9552 19.4881 19.4881 k =-0.4090 0.3626 0.5466 ( 994 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3761 -15.3761 -15.2243 -15.2243 6.3006 6.3006 8.9628 8.9628 10.5288 10.5288 16.4741 16.4741 17.4197 17.4197 17.9512 17.9512 19.4902 19.4902 k =-0.4090 0.3626 0.5466 ( 994 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3761 -15.3761 -15.2243 -15.2243 6.3006 6.3006 8.9628 8.9628 10.5288 10.5288 16.4741 16.4741 17.4197 17.4197 17.9512 17.9512 19.4902 19.4902 k =-0.4035 0.3577 0.5392 ( 990 PWs) bands (ev): -48.4553 -48.4553 -22.9002 -22.9002 -15.3728 -15.3728 -15.2242 -15.2242 6.3174 6.3174 8.9301 8.9301 10.5845 10.5845 16.3670 16.3670 17.3038 17.3038 17.8843 17.8843 19.5956 19.5956 k =-0.3980 0.3528 0.5319 ( 990 PWs) bands (ev): -48.4556 -48.4556 -22.8992 -22.8992 -15.3695 -15.3695 -15.2240 -15.2240 6.3333 6.3333 8.8971 8.8971 10.6424 10.6424 16.2631 16.2631 17.1939 17.1939 17.8145 17.8145 19.7056 19.7056 k =-0.3924 0.3479 0.5245 ( 994 PWs) bands (ev): -48.4560 -48.4560 -22.8982 -22.8982 -15.3663 -15.3663 -15.2235 -15.2235 6.3481 6.3481 8.8640 8.8640 10.7023 10.7023 16.1625 16.1625 17.0908 17.0908 17.7421 17.7421 19.8195 19.8195 k =-0.3869 0.3430 0.5171 ( 1002 PWs) bands (ev): -48.4564 -48.4564 -22.8973 -22.8973 -15.3632 -15.3632 -15.2227 -15.2227 6.3614 6.3614 8.8309 8.8309 10.7639 10.7639 16.0651 16.0651 16.9952 16.9952 17.6672 17.6672 19.9372 19.9372 k =-0.3814 0.3381 0.5097 ( 1006 PWs) bands (ev): -48.4568 -48.4568 -22.8961 -22.8961 -15.3600 -15.3600 -15.2214 -15.2214 6.3731 6.3731 8.7982 8.7982 10.8270 10.8270 15.9710 15.9710 16.9079 16.9079 17.5901 17.5901 20.0580 20.0580 k =-0.3758 0.3332 0.5023 ( 1005 PWs) bands (ev): -48.4572 -48.4572 -22.8948 -22.8948 -15.3569 -15.3569 -15.2196 -15.2196 6.3828 6.3828 8.7659 8.7659 10.8913 10.8913 15.8803 15.8803 16.8296 16.8296 17.5111 17.5111 20.1817 20.1817 k =-0.3703 0.3283 0.4949 ( 1001 PWs) bands (ev): -48.4576 -48.4576 -22.8933 -22.8933 -15.3537 -15.3537 -15.2174 -15.2174 6.3902 6.3902 8.7343 8.7343 10.9567 10.9567 15.7929 15.7929 16.7609 16.7609 17.4301 17.4301 20.3077 20.3077 k =-0.3648 0.3234 0.4875 ( 1001 PWs) bands (ev): -48.4581 -48.4581 -22.8918 -22.8918 -15.3507 -15.3507 -15.2147 -15.2147 6.3950 6.3950 8.7035 8.7035 11.0227 11.0227 15.7088 15.7088 16.7025 16.7025 17.3476 17.3476 20.4355 20.4355 k =-0.3593 0.3185 0.4801 ( 1001 PWs) bands (ev): -48.4586 -48.4586 -22.8902 -22.8902 -15.3478 -15.3478 -15.2115 -15.2115 6.3968 6.3968 8.6736 8.6736 11.0893 11.0893 15.6279 15.6279 16.6548 16.6548 17.2635 17.2635 20.5647 20.5647 k =-0.3537 0.3136 0.4728 ( 1005 PWs) bands (ev): -48.4591 -48.4591 -22.8886 -22.8886 -15.3450 -15.3450 -15.2080 -15.2080 6.3956 6.3956 8.6448 8.6448 11.1561 11.1561 15.5503 15.5503 16.6186 16.6186 17.1782 17.1782 20.6945 20.6945 k =-0.3482 0.3087 0.4654 ( 1005 PWs) bands (ev): -48.4597 -48.4597 -22.8869 -22.8869 -15.3422 -15.3422 -15.2039 -15.2039 6.3909 6.3909 8.6173 8.6173 11.2230 11.2230 15.4759 15.4759 16.5942 16.5942 17.0918 17.0918 20.8243 20.8243 k =-0.3427 0.3038 0.4580 ( 1001 PWs) bands (ev): -48.4602 -48.4602 -22.8849 -22.8849 -15.3393 -15.3393 -15.1992 -15.1992 6.3825 6.3825 8.5912 8.5912 11.2898 11.2898 15.4047 15.4047 16.5820 16.5820 17.0044 17.0044 20.9532 20.9532 k =-0.3372 0.2989 0.4506 ( 1005 PWs) bands (ev): -48.4608 -48.4608 -22.8831 -22.8831 -15.3366 -15.3366 -15.1943 -15.1943 6.3702 6.3702 8.5665 8.5665 11.3564 11.3564 15.3366 15.3366 16.5823 16.5823 16.9162 16.9162 21.0801 21.0801 k =-0.3316 0.2940 0.4432 ( 1009 PWs) bands (ev): -48.4615 -48.4615 -22.8811 -22.8811 -15.3338 -15.3338 -15.1890 -15.1890 6.3538 6.3538 8.5435 8.5435 11.4227 11.4227 15.2716 15.2716 16.5952 16.5952 16.8273 16.8273 21.2029 21.2029 k =-0.3261 0.2891 0.4358 ( 1009 PWs) bands (ev): -48.4621 -48.4621 -22.8790 -22.8790 -15.3309 -15.3309 -15.1832 -15.1832 6.3331 6.3331 8.5223 8.5223 11.4887 11.4887 15.2097 15.2097 16.6206 16.6206 16.7382 16.7382 21.3168 21.3168 k =-0.3206 0.2842 0.4284 ( 1009 PWs) bands (ev): -48.4628 -48.4628 -22.8767 -22.8767 -15.3278 -15.3278 -15.1771 -15.1771 6.3081 6.3081 8.5029 8.5029 11.5544 11.5544 15.1510 15.1510 16.6440 16.6440 16.6632 16.6632 21.3964 21.3964 k =-0.3150 0.2793 0.4210 ( 1009 PWs) bands (ev): -48.4635 -48.4635 -22.8744 -22.8744 -15.3246 -15.3246 -15.1706 -15.1706 6.2785 6.2785 8.4855 8.4855 11.6199 11.6199 15.0955 15.0955 16.5574 16.5574 16.7104 16.7104 21.3490 21.3490 k =-0.3095 0.2744 0.4137 ( 1009 PWs) bands (ev): -48.4642 -48.4642 -22.8719 -22.8719 -15.3212 -15.3212 -15.1639 -15.1639 6.2444 6.2444 8.4703 8.4703 11.6853 11.6853 15.0430 15.0430 16.4675 16.4675 16.7727 16.7727 21.2269 21.2270 k =-0.3040 0.2695 0.4063 ( 1009 PWs) bands (ev): -48.4649 -48.4649 -22.8694 -22.8694 -15.3176 -15.3176 -15.1569 -15.1569 6.2056 6.2056 8.4573 8.4573 11.7508 11.7508 14.9938 14.9938 16.3774 16.3774 16.8464 16.8464 21.0925 21.0925 k =-0.2985 0.2646 0.3989 ( 1005 PWs) bands (ev): -48.4657 -48.4657 -22.8666 -22.8666 -15.3137 -15.3137 -15.1497 -15.1497 6.1622 6.1622 8.4466 8.4466 11.8165 11.8165 14.9477 14.9477 16.2874 16.2874 16.9307 16.9307 20.9555 20.9555 k =-0.2929 0.2597 0.3915 ( 1001 PWs) bands (ev): -48.4664 -48.4664 -22.8637 -22.8637 -15.3095 -15.3095 -15.1422 -15.1422 6.1142 6.1142 8.4383 8.4383 11.8827 11.8827 14.9049 14.9049 16.1977 16.1977 17.0246 17.0246 20.8190 20.8190 k =-0.2874 0.2548 0.3841 ( 1001 PWs) bands (ev): -48.4672 -48.4672 -22.8609 -22.8609 -15.3051 -15.3051 -15.1347 -15.1347 6.0617 6.0617 8.4326 8.4326 11.9495 11.9495 14.8652 14.8652 16.1084 16.1084 17.1267 17.1267 20.6847 20.6847 k =-0.2819 0.2499 0.3767 ( 997 PWs) bands (ev): -48.4680 -48.4680 -22.8578 -22.8578 -15.3002 -15.3002 -15.1269 -15.1269 6.0048 6.0048 8.4295 8.4295 12.0171 12.0171 14.8288 14.8288 16.0195 16.0195 17.2357 17.2357 20.5544 20.5544 k =-0.2764 0.2450 0.3693 ( 993 PWs) bands (ev): -48.4689 -48.4689 -22.8547 -22.8547 -15.2950 -15.2950 -15.1191 -15.1191 5.9436 5.9436 8.4290 8.4290 12.0857 12.0857 14.7957 14.7957 15.9311 15.9311 17.3496 17.3496 20.4301 20.4301 k =-0.2708 0.2401 0.3620 ( 1001 PWs) bands (ev): -48.4698 -48.4698 -22.8517 -22.8517 -15.2898 -15.2898 -15.1112 -15.1112 5.8784 5.8784 8.4313 8.4313 12.1556 12.1556 14.7657 14.7657 15.8435 15.8435 17.4658 17.4658 20.3141 20.3141 k =-0.2653 0.2352 0.3546 ( 1001 PWs) bands (ev): -48.4707 -48.4707 -22.8485 -22.8485 -15.2841 -15.2841 -15.1033 -15.1033 5.8092 5.8092 8.4366 8.4366 12.2267 12.2267 14.7389 14.7389 15.7566 15.7566 17.5814 17.5814 20.2093 20.2093 k =-0.2598 0.2303 0.3472 ( 1001 PWs) bands (ev): -48.4716 -48.4716 -22.8452 -22.8452 -15.2779 -15.2779 -15.0952 -15.0952 5.7365 5.7365 8.4448 8.4448 12.2992 12.2992 14.7154 14.7154 15.6706 15.6706 17.6922 17.6922 20.1196 20.1196 k =-0.2543 0.2254 0.3398 ( 1009 PWs) bands (ev): -48.4725 -48.4725 -22.8420 -22.8420 -15.2715 -15.2715 -15.0873 -15.0873 5.6603 5.6603 8.4560 8.4560 12.3732 12.3732 14.6950 14.6950 15.5856 15.5856 17.7933 17.7933 20.0496 20.0496 k =-0.2487 0.2205 0.3324 ( 1011 PWs) bands (ev): -48.4735 -48.4735 -22.8385 -22.8385 -15.2647 -15.2647 -15.0793 -15.0793 5.5809 5.5809 8.4704 8.4704 12.4488 12.4488 14.6778 14.6778 15.5017 15.5017 17.8790 17.8790 20.0049 20.0049 k =-0.2432 0.2156 0.3250 ( 1011 PWs) bands (ev): -48.4744 -48.4744 -22.8349 -22.8349 -15.2574 -15.2574 -15.0712 -15.0712 5.4987 5.4987 8.4879 8.4879 12.5258 12.5258 14.6637 14.6637 15.4189 15.4189 17.9434 17.9434 19.9910 19.9910 k =-0.2377 0.2107 0.3176 ( 1007 PWs) bands (ev): -48.4754 -48.4754 -22.8312 -22.8312 -15.2497 -15.2497 -15.0631 -15.0631 5.4138 5.4138 8.5086 8.5086 12.6043 12.6043 14.6527 14.6527 15.3375 15.3375 17.9816 17.9816 20.0124 20.0124 k =-0.2321 0.2058 0.3102 ( 1007 PWs) bands (ev): -48.4764 -48.4764 -22.8275 -22.8275 -15.2417 -15.2417 -15.0551 -15.0551 5.3266 5.3266 8.5326 8.5326 12.6842 12.6842 14.6446 14.6446 15.2575 15.2575 17.9917 17.9917 20.0706 20.0706 k =-0.2266 0.2009 0.3029 ( 995 PWs) bands (ev): -48.4773 -48.4773 -22.8234 -22.8234 -15.2331 -15.2331 -15.0469 -15.0469 5.2374 5.2374 8.5599 8.5599 12.7654 12.7654 14.6393 14.6393 15.1792 15.1792 17.9747 17.9747 20.1644 20.1644 k =-0.2211 0.1960 0.2955 ( 995 PWs) bands (ev): -48.4784 -48.4784 -22.8195 -22.8195 -15.2244 -15.2244 -15.0390 -15.0390 5.1464 5.1464 8.5905 8.5905 12.8476 12.8476 14.6367 14.6367 15.1026 15.1026 17.9343 17.9343 20.2892 20.2892 k =-0.2156 0.1911 0.2881 ( 995 PWs) bands (ev): -48.4794 -48.4794 -22.8156 -22.8156 -15.2153 -15.2153 -15.0312 -15.0312 5.0539 5.0539 8.6245 8.6245 12.9308 12.9308 14.6364 14.6364 15.0283 15.0283 17.8756 17.8756 20.4396 20.4396 k =-0.2100 0.1862 0.2807 ( 995 PWs) bands (ev): -48.4804 -48.4804 -22.8117 -22.8117 -15.2059 -15.2059 -15.0235 -15.0235 4.9602 4.9602 8.6619 8.6619 13.0146 13.0146 14.6379 14.6379 14.9568 14.9568 17.8033 17.8033 20.6090 20.6090 k =-0.2045 0.1813 0.2733 ( 995 PWs) bands (ev): -48.4814 -48.4814 -22.8077 -22.8077 -15.1962 -15.1962 -15.0158 -15.0158 4.8655 4.8655 8.7028 8.7028 13.0987 13.0987 14.6400 14.6400 14.8893 14.8893 17.7216 17.7216 20.4535 20.4535 k =-0.1990 0.1764 0.2659 ( 993 PWs) bands (ev): -48.4825 -48.4825 -22.8036 -22.8036 -15.1861 -15.1861 -15.0083 -15.0083 4.7702 4.7702 8.7471 8.7471 13.1829 13.1829 14.6397 14.6397 14.8289 14.8289 17.6341 17.6341 20.2523 20.2523 k =-0.1935 0.1715 0.2585 ( 993 PWs) bands (ev): -48.4835 -48.4835 -22.7995 -22.7995 -15.1759 -15.1759 -15.0009 -15.0009 4.6745 4.6745 8.7950 8.7950 13.2668 13.2668 14.6303 14.6303 14.7823 14.7823 17.5432 17.5432 20.0469 20.0469 k =-0.1879 0.1666 0.2512 ( 991 PWs) bands (ev): -48.4845 -48.4845 -22.7954 -22.7954 -15.1653 -15.1653 -14.9936 -14.9936 4.5786 4.5786 8.8464 8.8464 13.3498 13.3498 14.6022 14.6022 14.7590 14.7590 17.4512 17.4512 19.8381 19.8381 k =-0.1824 0.1617 0.2438 ( 991 PWs) bands (ev): -48.4856 -48.4856 -22.7913 -22.7913 -15.1546 -15.1546 -14.9864 -14.9864 4.4828 4.4828 8.9012 8.9012 13.4315 13.4315 14.5567 14.5567 14.7582 14.7582 17.3596 17.3596 19.6266 19.6266 k =-0.1769 0.1568 0.2364 ( 991 PWs) bands (ev): -48.4866 -48.4866 -22.7872 -22.7872 -15.1437 -15.1437 -14.9794 -14.9794 4.3873 4.3873 8.9597 8.9597 13.5111 13.5111 14.5033 14.5033 14.7704 14.7704 17.2697 17.2697 19.4130 19.4130 k =-0.1713 0.1519 0.2290 ( 995 PWs) bands (ev): -48.4876 -48.4876 -22.7832 -22.7832 -15.1326 -15.1326 -14.9726 -14.9726 4.2924 4.2924 9.0216 9.0216 13.5880 13.5880 14.4482 14.4482 14.7896 14.7896 17.1827 17.1827 19.1977 19.1977 k =-0.1658 0.1470 0.2216 ( 995 PWs) bands (ev): -48.4886 -48.4886 -22.7792 -22.7792 -15.1214 -15.1214 -14.9659 -14.9659 4.1982 4.1982 9.0872 9.0872 13.6611 13.6611 14.3941 14.3941 14.8135 14.8135 17.0994 17.0994 18.9813 18.9813 k =-0.1603 0.1421 0.2142 ( 995 PWs) bands (ev): -48.4897 -48.4897 -22.7751 -22.7751 -15.1100 -15.1100 -14.9593 -14.9593 4.1051 4.1051 9.1563 9.1563 13.7290 13.7290 14.3430 14.3430 14.8408 14.8408 17.0207 17.0207 18.7641 18.7641 k =-0.1548 0.1372 0.2068 ( 995 PWs) bands (ev): -48.4907 -48.4907 -22.7711 -22.7711 -15.0986 -15.0986 -14.9530 -14.9530 4.0132 4.0132 9.2289 9.2289 13.7900 13.7900 14.2966 14.2966 14.8711 14.8711 16.9473 16.9473 18.5467 18.5467 k =-0.1492 0.1323 0.1994 ( 987 PWs) bands (ev): -48.4916 -48.4916 -22.7669 -22.7669 -15.0870 -15.0870 -14.9466 -14.9466 3.9226 3.9226 9.3052 9.3052 13.8410 13.8410 14.2574 14.2574 14.9039 14.9039 16.8798 16.8798 18.3294 18.3294 k =-0.1437 0.1274 0.1921 ( 991 PWs) bands (ev): -48.4926 -48.4926 -22.7630 -22.7630 -15.0756 -15.0756 -14.9407 -14.9407 3.8336 3.8336 9.3849 9.3849 13.8781 13.8781 14.2292 14.2292 14.9390 14.9390 16.8187 16.8187 18.1126 18.1126 k =-0.1382 0.1225 0.1847 ( 995 PWs) bands (ev): -48.4936 -48.4936 -22.7593 -22.7593 -15.0642 -15.0642 -14.9349 -14.9349 3.7464 3.7464 9.4681 9.4681 13.8968 13.8968 14.2158 14.2158 14.9759 14.9759 16.7643 16.7643 17.8967 17.8967 k =-0.1327 0.1176 0.1773 ( 995 PWs) bands (ev): -48.4945 -48.4945 -22.7554 -22.7554 -15.0528 -15.0528 -14.9293 -14.9293 3.6612 3.6612 9.5549 9.5549 13.8956 13.8956 14.2183 14.2183 15.0145 15.0145 16.7168 16.7168 17.6827 17.6827 k =-0.1271 0.1127 0.1699 ( 991 PWs) bands (ev): -48.4954 -48.4954 -22.7516 -22.7516 -15.0414 -15.0414 -14.9237 -14.9237 3.5782 3.5782 9.6452 9.6452 13.8783 13.8783 14.2327 14.2327 15.0544 15.0544 16.6756 16.6756 17.4715 17.4715 k =-0.1216 0.1078 0.1625 ( 993 PWs) bands (ev): -48.4963 -48.4963 -22.7480 -22.7480 -15.0303 -15.0303 -14.9185 -14.9185 3.4973 3.4973 9.7389 9.7389 13.8510 13.8510 14.2525 14.2525 15.0952 15.0952 16.6390 16.6390 17.2652 17.2652 k =-0.1161 0.1029 0.1551 ( 993 PWs) bands (ev): -48.4972 -48.4972 -22.7444 -22.7444 -15.0193 -15.0193 -14.9134 -14.9134 3.4190 3.4190 9.8361 9.8361 13.8184 13.8184 14.2729 14.2729 15.1368 15.1368 16.6024 16.6024 17.0690 17.0690 k =-0.1105 0.0980 0.1477 ( 993 PWs) bands (ev): -48.4980 -48.4980 -22.7409 -22.7409 -15.0085 -15.0085 -14.9085 -14.9085 3.3433 3.3433 9.9367 9.9367 13.7836 13.7836 14.2910 14.2910 15.1786 15.1786 16.5516 16.5516 16.8968 16.8968 k =-0.1050 0.0931 0.1403 ( 989 PWs) bands (ev): -48.4988 -48.4988 -22.7375 -22.7375 -14.9980 -14.9980 -14.9036 -14.9036 3.2703 3.2703 10.0406 10.0406 13.7481 13.7481 14.3052 14.3052 15.2204 15.2204 16.4557 16.4557 16.7796 16.7796 k =-0.0995 0.0882 0.1330 ( 991 PWs) bands (ev): -48.4996 -48.4996 -22.7343 -22.7343 -14.9879 -14.9879 -14.8991 -14.8991 3.2002 3.2002 10.1478 10.1478 13.7129 13.7129 14.3151 14.3151 15.2617 15.2617 16.3023 16.3023 16.7296 16.7296 k =-0.0940 0.0833 0.1256 ( 995 PWs) bands (ev): -48.5004 -48.5004 -22.7313 -22.7313 -14.9782 -14.9782 -14.8948 -14.8948 3.1331 3.1331 10.2583 10.2583 13.6786 13.6786 14.3205 14.3205 15.3020 15.3020 16.1197 16.1197 16.7182 16.7182 k =-0.0884 0.0784 0.1182 ( 997 PWs) bands (ev): -48.5011 -48.5011 -22.7283 -22.7283 -14.9688 -14.9688 -14.8906 -14.8906 3.0691 3.0691 10.3718 10.3718 13.6455 13.6455 14.3216 14.3216 15.3402 15.3402 15.9286 15.9286 16.7248 16.7248 k =-0.0829 0.0735 0.1108 ( 993 PWs) bands (ev): -48.5018 -48.5018 -22.7254 -22.7254 -14.9597 -14.9597 -14.8866 -14.8866 3.0084 3.0084 10.4884 10.4884 13.6139 13.6139 14.3188 14.3188 15.3735 15.3735 15.7388 15.7388 16.7416 16.7416 k =-0.0774 0.0686 0.1034 ( 991 PWs) bands (ev): -48.5024 -48.5024 -22.7226 -22.7226 -14.9511 -14.9511 -14.8828 -14.8828 2.9511 2.9511 10.6080 10.6080 13.5840 13.5840 14.3127 14.3127 15.3850 15.3850 15.5699 15.5699 16.7648 16.7648 k =-0.0719 0.0637 0.0960 ( 995 PWs) bands (ev): -48.5030 -48.5030 -22.7202 -22.7202 -14.9432 -14.9432 -14.8792 -14.8792 2.8973 2.8973 10.7303 10.7303 13.5558 13.5558 14.3037 14.3037 15.2912 15.2912 15.5066 15.5066 16.7922 16.7922 k =-0.0663 0.0588 0.0886 ( 995 PWs) bands (ev): -48.5036 -48.5036 -22.7178 -22.7178 -14.9357 -14.9357 -14.8757 -14.8757 2.8470 2.8470 10.8552 10.8552 13.5294 13.5294 14.2923 14.2923 15.1178 15.1178 15.5241 15.5241 16.8223 16.8223 k =-0.0608 0.0539 0.0813 ( 995 PWs) bands (ev): -48.5041 -48.5041 -22.7156 -22.7156 -14.9288 -14.9288 -14.8725 -14.8725 2.8005 2.8005 10.9824 10.9824 13.5049 13.5049 14.2785 14.2785 14.9346 14.9346 15.5535 15.5535 16.8538 16.8538 k =-0.0553 0.0490 0.0739 ( 995 PWs) bands (ev): -48.5046 -48.5046 -22.7135 -22.7135 -14.9224 -14.9224 -14.8694 -14.8694 2.7576 2.7576 11.1116 11.1116 13.4823 13.4823 14.2621 14.2621 14.7534 14.7534 15.5841 15.5841 16.8857 16.8857 k =-0.0497 0.0441 0.0665 ( 995 PWs) bands (ev): -48.5051 -48.5051 -22.7117 -22.7117 -14.9167 -14.9167 -14.8664 -14.8664 2.7187 2.7187 11.2423 11.2423 13.4616 13.4616 14.2406 14.2406 14.5798 14.5798 15.6137 15.6137 16.9169 16.9169 k =-0.0442 0.0392 0.0591 ( 995 PWs) bands (ev): -48.5055 -48.5055 -22.7100 -22.7100 -14.9116 -14.9116 -14.8637 -14.8637 2.6836 2.6836 11.3740 11.3740 13.4426 13.4426 14.2050 14.2050 14.4246 14.4246 15.6414 15.6414 16.9468 16.9468 k =-0.0387 0.0343 0.0517 ( 991 PWs) bands (ev): -48.5058 -48.5058 -22.7084 -22.7084 -14.9071 -14.9071 -14.8612 -14.8612 2.6525 2.6525 11.5059 11.5059 13.4255 13.4255 14.1263 14.1263 14.3187 14.3187 15.6667 15.6667 16.9746 16.9746 k =-0.0332 0.0294 0.0443 ( 991 PWs) bands (ev): -48.5061 -48.5061 -22.7071 -22.7071 -14.9033 -14.9033 -14.8590 -14.8590 2.6254 2.6254 11.6364 11.6364 13.4098 13.4098 13.9966 13.9966 14.2720 14.2720 15.6893 15.6893 16.9998 16.9998 k =-0.0276 0.0245 0.0369 ( 993 PWs) bands (ev): -48.5064 -48.5064 -22.7060 -22.7060 -14.9001 -14.9001 -14.8570 -14.8570 2.6024 2.6024 11.7638 11.7638 13.3951 13.3951 13.8534 13.8534 14.2498 14.2498 15.7089 15.7089 17.0218 17.0218 k =-0.0221 0.0196 0.0295 ( 997 PWs) bands (ev): -48.5066 -48.5066 -22.7052 -22.7052 -14.8976 -14.8976 -14.8555 -14.8555 2.5836 2.5836 11.8848 11.8848 13.3803 13.3803 13.7172 13.7172 14.2361 14.2361 15.7253 15.7253 17.0404 17.0404 k =-0.0166 0.0147 0.0222 ( 999 PWs) bands (ev): -48.5068 -48.5068 -22.7046 -22.7046 -14.8956 -14.8956 -14.8542 -14.8542 2.5689 2.5689 11.9948 11.9948 13.3632 13.3632 13.5996 13.5996 14.2268 14.2268 15.7382 15.7382 17.0552 17.0552 k =-0.0111 0.0098 0.0148 ( 995 PWs) bands (ev): -48.5069 -48.5069 -22.7039 -22.7039 -14.8941 -14.8941 -14.8532 -14.8532 2.5583 2.5583 12.0862 12.0862 13.3398 13.3398 13.5134 13.5134 14.2205 14.2205 15.7475 15.7475 17.0659 17.0659 k =-0.0055 0.0049 0.0074 ( 991 PWs) bands (ev): -48.5070 -48.5070 -22.7035 -22.7035 -14.8932 -14.8932 -14.8525 -14.8525 2.5520 2.5520 12.1484 12.1484 13.3126 13.3126 13.4673 13.4673 14.2168 14.2168 15.7531 15.7531 17.0724 17.0724 k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -48.5070 -48.5070 -22.7033 -22.7033 -14.8927 -14.8927 -14.8523 -14.8523 2.5499 2.5499 12.1708 12.1708 13.2996 13.2996 13.4542 13.4542 14.2156 14.2156 15.7550 15.7550 17.0746 17.0746 k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -48.5070 -48.5070 -22.7033 -22.7033 -14.8927 -14.8927 -14.8523 -14.8523 2.5499 2.5499 12.1708 12.1708 13.2996 13.2996 13.4542 13.4542 14.2156 14.2156 15.7550 15.7550 17.0746 17.0746 k = 0.0068 0.0077-0.0000 ( 993 PWs) bands (ev): -48.5070 -48.5070 -22.7036 -22.7036 -14.8932 -14.8932 -14.8526 -14.8526 2.5519 2.5519 12.1551 12.1551 13.3003 13.3003 13.4558 13.4558 14.2325 14.2325 15.7561 15.7561 17.0737 17.0737 k = 0.0137 0.0155-0.0000 ( 993 PWs) bands (ev): -48.5069 -48.5069 -22.7039 -22.7039 -14.8936 -14.8936 -14.8535 -14.8535 2.5578 2.5578 12.1092 12.1092 13.3025 13.3025 13.4604 13.4604 14.2818 14.2818 15.7595 15.7595 17.0711 17.0711 k = 0.0205 0.0232-0.0000 ( 993 PWs) bands (ev): -48.5068 -48.5068 -22.7044 -22.7044 -14.8944 -14.8944 -14.8550 -14.8550 2.5676 2.5676 12.0375 12.0375 13.3060 13.3060 13.4674 13.4674 14.3600 14.3600 15.7651 15.7651 17.0666 17.0666 k = 0.0274 0.0309-0.0000 ( 993 PWs) bands (ev): -48.5066 -48.5066 -22.7051 -22.7051 -14.8954 -14.8954 -14.8572 -14.8572 2.5814 2.5814 11.9450 11.9450 13.3111 13.3111 13.4761 13.4761 14.4623 14.4623 15.7731 15.7731 17.0602 17.0602 k = 0.0342 0.0386-0.0000 ( 1001 PWs) bands (ev): -48.5064 -48.5064 -22.7062 -22.7062 -14.8969 -14.8969 -14.8600 -14.8600 2.5991 2.5991 11.8368 11.8368 13.3175 13.3175 13.4862 13.4862 14.5841 14.5841 15.7835 15.7835 17.0517 17.0517 k = 0.0411 0.0464-0.0000 ( 1001 PWs) bands (ev): -48.5061 -48.5061 -22.7073 -22.7073 -14.8986 -14.8986 -14.8633 -14.8633 2.6207 2.6207 11.7172 11.7172 13.3254 13.3254 13.4977 13.4977 14.7208 14.7208 15.7967 15.7967 17.0409 17.0409 k = 0.0479 0.0541-0.0000 ( 1001 PWs) bands (ev): -48.5058 -48.5058 -22.7085 -22.7085 -14.9005 -14.9005 -14.8672 -14.8672 2.6462 2.6462 11.5895 11.5895 13.3348 13.3348 13.5105 13.5105 14.8690 14.8690 15.8128 15.8128 17.0275 17.0275 k = 0.0548 0.0618-0.0000 ( 1001 PWs) bands (ev): -48.5054 -48.5054 -22.7100 -22.7100 -14.9027 -14.9027 -14.8716 -14.8716 2.6755 2.6755 11.4560 11.4560 13.3457 13.3457 13.5247 13.5247 15.0253 15.0253 15.8327 15.8327 17.0113 17.0113 k = 0.0616 0.0695-0.0000 ( 1001 PWs) bands (ev): -48.5050 -48.5050 -22.7116 -22.7116 -14.9052 -14.9052 -14.8766 -14.8766 2.7087 2.7087 11.3186 11.3186 13.3581 13.3581 13.5404 13.5404 15.1868 15.1868 15.8574 15.8574 16.9919 16.9919 k = 0.0685 0.0773-0.0000 ( 1001 PWs) bands (ev): -48.5045 -48.5045 -22.7135 -22.7135 -14.9080 -14.9080 -14.8822 -14.8822 2.7457 2.7457 11.1787 11.1787 13.3720 13.3720 13.5577 13.5577 15.3493 15.3493 15.8894 15.8894 16.9690 16.9690 k = 0.0753 0.0850-0.0000 ( 1001 PWs) bands (ev): -48.5040 -48.5040 -22.7155 -22.7155 -14.9111 -14.9111 -14.8882 -14.8882 2.7864 2.7864 11.0374 11.0374 13.3875 13.3875 13.5765 13.5765 15.5066 15.5066 15.9340 15.9340 16.9422 16.9422 k = 0.0822 0.0927-0.0000 ( 1001 PWs) bands (ev): -48.5035 -48.5035 -22.7177 -22.7177 -14.9144 -14.9144 -14.8948 -14.8948 2.8309 2.8309 10.8953 10.8953 13.4045 13.4045 13.5971 13.5971 15.6466 15.6466 16.0025 16.0025 16.9110 16.9110 k = 0.0890 0.1004-0.0000 ( 993 PWs) bands (ev): -48.5028 -48.5028 -22.7198 -22.7198 -14.9179 -14.9179 -14.9016 -14.9016 2.8791 2.8791 10.7531 10.7531 13.4231 13.4231 13.6193 13.6193 15.7540 15.7540 16.1093 16.1093 16.8751 16.8751 k = 0.0959 0.1082-0.0000 ( 993 PWs) bands (ev): -48.5022 -48.5022 -22.7223 -22.7223 -14.9218 -14.9218 -14.9092 -14.9092 2.9309 2.9309 10.6113 10.6113 13.4433 13.4433 13.6434 13.6434 15.8272 15.8272 16.2556 16.2556 16.8341 16.8341 k = 0.1027 0.1159-0.0000 ( 993 PWs) bands (ev): -48.5015 -48.5015 -22.7250 -22.7250 -14.9259 -14.9259 -14.9171 -14.9171 2.9863 2.9863 10.4702 10.4702 13.4652 13.4652 13.6692 13.6692 15.8797 15.8797 16.4274 16.4274 16.7875 16.7875 k = 0.1096 0.1236-0.0000 ( 993 PWs) bands (ev): -48.5008 -48.5008 -22.7278 -22.7278 -14.9302 -14.9302 -14.9256 -14.9256 3.0453 3.0453 10.3300 10.3300 13.4887 13.4887 13.6970 13.6970 15.9229 15.9229 16.6131 16.6131 16.7350 16.7350 k = 0.1164 0.1313-0.0000 ( 993 PWs) bands (ev): -48.5000 -48.5000 -22.7308 -22.7308 -14.9351 -14.9351 -14.9341 -14.9341 3.1077 3.1077 10.1911 10.1911 13.5139 13.5139 13.7266 13.7266 15.9621 15.9621 16.6763 16.6763 16.8067 16.8067 k = 0.1233 0.1391-0.0000 ( 993 PWs) bands (ev): -48.4992 -48.4992 -22.7339 -22.7339 -14.9437 -14.9437 -14.9394 -14.9394 3.1736 3.1736 10.0537 10.0537 13.5408 13.5408 13.7581 13.7581 16.0000 16.0000 16.6112 16.6112 17.0056 17.0056 k = 0.1301 0.1468-0.0000 ( 993 PWs) bands (ev): -48.4984 -48.4984 -22.7372 -22.7372 -14.9533 -14.9533 -14.9445 -14.9445 3.2429 3.2429 9.9177 9.9177 13.5694 13.5694 13.7916 13.7916 16.0377 16.0377 16.5394 16.5394 17.2083 17.2083 k = 0.1370 0.1545-0.0000 ( 993 PWs) bands (ev): -48.4975 -48.4975 -22.7406 -22.7406 -14.9632 -14.9632 -14.9497 -14.9497 3.3155 3.3155 9.7835 9.7835 13.5998 13.5998 13.8271 13.8271 16.0759 16.0759 16.4609 16.4609 17.4138 17.4138 k = 0.1438 0.1622-0.0000 ( 993 PWs) bands (ev): -48.4966 -48.4966 -22.7441 -22.7441 -14.9734 -14.9734 -14.9550 -14.9550 3.3913 3.3913 9.6512 9.6512 13.6319 13.6319 13.8646 13.8646 16.1149 16.1149 16.3757 16.3757 17.6217 17.6217 k = 0.1507 0.1700-0.0000 ( 993 PWs) bands (ev): -48.4956 -48.4956 -22.7477 -22.7477 -14.9839 -14.9839 -14.9606 -14.9606 3.4704 3.4704 9.5207 9.5207 13.6658 13.6658 13.9041 13.9041 16.1550 16.1550 16.2839 16.2839 17.8315 17.8315 k = 0.1575 0.1777-0.0000 ( 993 PWs) bands (ev): -48.4947 -48.4947 -22.7514 -22.7514 -14.9947 -14.9947 -14.9663 -14.9663 3.5526 3.5526 9.3922 9.3922 13.7016 13.7016 13.9458 13.9458 16.1857 16.1857 16.1962 16.1962 18.0428 18.0428 k = 0.1644 0.1854-0.0000 ( 997 PWs) bands (ev): -48.4937 -48.4937 -22.7553 -22.7553 -15.0058 -15.0058 -14.9723 -14.9723 3.6378 3.6378 9.2658 9.2658 13.7390 13.7390 13.9895 13.9895 16.0815 16.0815 16.2386 16.2386 18.2555 18.2555 k = 0.1712 0.1931-0.0000 ( 997 PWs) bands (ev): -48.4926 -48.4926 -22.7592 -22.7592 -15.0171 -15.0171 -14.9783 -14.9783 3.7260 3.7260 9.1415 9.1415 13.7783 13.7783 14.0354 14.0354 15.9717 15.9717 16.2823 16.2823 18.4694 18.4694 k = 0.1781 0.2009-0.0000 ( 997 PWs) bands (ev): -48.4916 -48.4916 -22.7632 -22.7632 -15.0285 -15.0285 -14.9845 -14.9845 3.8172 3.8172 9.0194 9.0194 13.8193 13.8193 14.0835 14.0835 15.8566 15.8566 16.3272 16.3272 18.6841 18.6841 k = 0.1849 0.2086-0.0000 ( 1001 PWs) bands (ev): -48.4905 -48.4905 -22.7674 -22.7674 -15.0402 -15.0402 -14.9908 -14.9908 3.9112 3.9112 8.8993 8.8993 13.8620 13.8620 14.1338 14.1338 15.7370 15.7370 16.3733 16.3733 18.8996 18.8996 k = 0.1918 0.2163-0.0000 ( 1001 PWs) bands (ev): -48.4894 -48.4894 -22.7716 -22.7716 -15.0520 -15.0520 -14.9973 -14.9973 4.0079 4.0079 8.7817 8.7817 13.9063 13.9063 14.1863 14.1863 15.6133 15.6133 16.4206 16.4206 19.1156 19.1156 k = 0.1986 0.2240-0.0000 ( 1001 PWs) bands (ev): -48.4883 -48.4883 -22.7758 -22.7758 -15.0638 -15.0638 -15.0038 -15.0038 4.1073 4.1073 8.6663 8.6663 13.9520 13.9520 14.2411 14.2411 15.4864 15.4864 16.4692 16.4692 19.3320 19.3320 k = 0.2055 0.2318-0.0000 ( 1001 PWs) bands (ev): -48.4872 -48.4872 -22.7800 -22.7800 -15.0758 -15.0758 -15.0104 -15.0104 4.2093 4.2093 8.5533 8.5533 13.9989 13.9989 14.2981 14.2981 15.3569 15.3569 16.5189 16.5189 19.5485 19.5485 k = 0.2123 0.2395-0.0000 ( 1017 PWs) bands (ev): -48.4861 -48.4861 -22.7848 -22.7848 -15.0882 -15.0882 -15.0173 -15.0173 4.3138 4.3138 8.4425 8.4425 14.0464 14.0464 14.3574 14.3574 15.2260 15.2260 16.5697 16.5697 19.7651 19.7651 k = 0.2192 0.2472-0.0000 ( 1009 PWs) bands (ev): -48.4850 -48.4850 -22.7889 -22.7889 -15.1001 -15.1001 -15.0239 -15.0239 4.4207 4.4207 8.3342 8.3342 14.0937 14.0937 14.4191 14.4191 15.0950 15.0950 16.6215 16.6215 19.9815 19.9815 k = 0.2260 0.2549-0.0000 ( 1001 PWs) bands (ev): -48.4838 -48.4838 -22.7931 -22.7931 -15.1120 -15.1120 -15.0305 -15.0305 4.5299 4.5299 8.2283 8.2283 14.1392 14.1392 14.4832 14.4832 14.9661 14.9661 16.6744 16.6744 20.1976 20.1976 k = 0.2329 0.2627-0.0000 ( 993 PWs) bands (ev): -48.4826 -48.4826 -22.7973 -22.7973 -15.1239 -15.1239 -15.0373 -15.0373 4.6414 4.6414 8.1249 8.1249 14.1795 14.1795 14.5496 14.5496 14.8432 14.8432 16.7282 16.7282 20.4132 20.4132 k = 0.2397 0.2704-0.0000 ( 985 PWs) bands (ev): -48.4814 -48.4814 -22.8015 -22.8015 -15.1357 -15.1357 -15.0441 -15.0441 4.7551 4.7551 8.0239 8.0239 14.2070 14.2070 14.6184 14.6184 14.7341 14.7341 16.7828 16.7828 20.6281 20.6281 k = 0.2466 0.2781-0.0000 ( 985 PWs) bands (ev): -48.4802 -48.4802 -22.8059 -22.8059 -15.1476 -15.1476 -15.0510 -15.0510 4.8707 4.8707 7.9254 7.9254 14.2068 14.2068 14.6543 14.6543 14.6896 14.6896 16.8383 16.8383 20.8419 20.8419 k = 0.2534 0.2858-0.0000 ( 985 PWs) bands (ev): -48.4791 -48.4791 -22.8103 -22.8103 -15.1595 -15.1595 -15.0579 -15.0579 4.9883 4.9883 7.8293 7.8293 14.1616 14.1616 14.6214 14.6214 14.7632 14.7632 16.8945 16.8945 21.0546 21.0546 k = 0.2603 0.2936-0.0000 ( 985 PWs) bands (ev): -48.4779 -48.4779 -22.8147 -22.8147 -15.1713 -15.1713 -15.0648 -15.0648 5.1078 5.1078 7.7358 7.7358 14.0730 14.0730 14.6341 14.6341 14.8393 14.8393 16.9514 16.9514 21.2658 21.2658 k = 0.2671 0.3013-0.0000 ( 985 PWs) bands (ev): -48.4767 -48.4767 -22.8191 -22.8191 -15.1830 -15.1830 -15.0717 -15.0717 5.2290 5.2290 7.6447 7.6447 13.9587 13.9587 14.6752 14.6752 14.9178 14.9178 17.0089 17.0089 21.4755 21.4755 k = 0.2740 0.3090-0.0000 ( 985 PWs) bands (ev): -48.4756 -48.4756 -22.8234 -22.8234 -15.1945 -15.1945 -15.0785 -15.0785 5.3519 5.3519 7.5562 7.5562 13.8318 13.8318 14.7316 14.7316 14.9988 14.9988 17.0669 17.0669 21.6834 21.6834 k = 0.2808 0.3167-0.0000 ( 985 PWs) bands (ev): -48.4744 -48.4744 -22.8277 -22.8277 -15.2059 -15.2059 -15.0853 -15.0853 5.4762 5.4762 7.4703 7.4703 13.6990 13.6990 14.7971 14.7971 15.0822 15.0822 17.1252 17.1252 21.8891 21.8891 k = 0.2877 0.3245-0.0000 ( 985 PWs) bands (ev): -48.4733 -48.4733 -22.8320 -22.8320 -15.2171 -15.2171 -15.0920 -15.0920 5.6020 5.6020 7.3868 7.3868 13.5634 13.5634 14.8688 14.8688 15.1682 15.1682 17.1839 17.1839 22.0925 22.0925 k = 0.2945 0.3322-0.0000 ( 985 PWs) bands (ev): -48.4722 -48.4722 -22.8362 -22.8362 -15.2281 -15.2281 -15.0987 -15.0987 5.7291 5.7291 7.3060 7.3060 13.4266 13.4266 14.9451 14.9451 15.2567 15.2567 17.2428 17.2428 22.2933 22.2933 k = 0.3014 0.3399-0.0000 ( 985 PWs) bands (ev): -48.4710 -48.4710 -22.8403 -22.8403 -15.2389 -15.2389 -15.1052 -15.1052 5.8575 5.8575 7.2277 7.2277 13.2895 13.2895 15.0253 15.0253 15.3476 15.3476 17.3018 17.3018 22.4911 22.4911 k = 0.3082 0.3476-0.0000 ( 993 PWs) bands (ev): -48.4700 -48.4700 -22.8446 -22.8446 -15.2496 -15.2496 -15.1118 -15.1118 5.9868 5.9868 7.1520 7.1520 13.1528 13.1528 15.1090 15.1090 15.4411 15.4411 17.3608 17.3608 22.6855 22.6855 k = 0.3151 0.3554-0.0000 ( 993 PWs) bands (ev): -48.4689 -48.4689 -22.8486 -22.8486 -15.2600 -15.2600 -15.1182 -15.1182 6.1171 6.1171 7.0789 7.0789 13.0169 13.0169 15.1959 15.1959 15.5371 15.5371 17.4196 17.4196 22.8760 22.8760 k = 0.3219 0.3631-0.0000 ( 997 PWs) bands (ev): -48.4678 -48.4678 -22.8527 -22.8527 -15.2701 -15.2701 -15.1245 -15.1245 6.2483 6.2483 7.0084 7.0084 12.8819 12.8819 15.2858 15.2858 15.6356 15.6356 17.4783 17.4783 23.0618 23.0618 k = 0.3288 0.3708-0.0000 ( 1001 PWs) bands (ev): -48.4668 -48.4668 -22.8566 -22.8566 -15.2800 -15.2800 -15.1307 -15.1307 6.3802 6.3802 6.9405 6.9405 12.7481 12.7481 15.3786 15.3786 15.7366 15.7366 17.5366 17.5366 23.0908 23.0908 k = 0.3356 0.3785-0.0000 ( 1001 PWs) bands (ev): -48.4658 -48.4658 -22.8603 -22.8603 -15.2895 -15.2895 -15.1366 -15.1366 6.5128 6.5128 6.8752 6.8752 12.6157 12.6157 15.4743 15.4743 15.8401 15.8401 17.5943 17.5943 22.8979 22.8979 k = 0.3425 0.3863-0.0000 ( 1001 PWs) bands (ev): -48.4648 -48.4648 -22.8640 -22.8640 -15.2987 -15.2987 -15.1424 -15.1424 6.6457 6.6457 6.8125 6.8125 12.4847 12.4847 15.5727 15.5727 15.9460 15.9460 17.6515 17.6515 22.7032 22.7032 k = 0.3493 0.3940-0.0000 ( 1001 PWs) bands (ev): -48.4638 -48.4638 -22.8675 -22.8675 -15.3076 -15.3076 -15.1481 -15.1481 6.7525 6.7525 6.7791 6.7791 12.3551 12.3551 15.6739 15.6739 16.0544 16.0544 17.7079 17.7079 22.5083 22.5083 k = 0.3562 0.4017-0.0000 ( 1001 PWs) bands (ev): -48.4629 -48.4629 -22.8709 -22.8709 -15.3162 -15.3162 -15.1536 -15.1536 6.6951 6.6951 6.9126 6.9126 12.2270 12.2270 15.7779 15.7779 16.1653 16.1653 17.7635 17.7635 22.3139 22.3139 k = 0.3630 0.4094-0.0000 ( 1001 PWs) bands (ev): -48.4620 -48.4620 -22.8742 -22.8742 -15.3245 -15.3245 -15.1588 -15.1588 6.6403 6.6403 7.0462 7.0462 12.1004 12.1004 15.8845 15.8845 16.2785 16.2785 17.8180 17.8180 22.1204 22.1204 k = 0.3699 0.4172-0.0000 ( 1001 PWs) bands (ev): -48.4611 -48.4611 -22.8773 -22.8773 -15.3324 -15.3324 -15.1639 -15.1639 6.5881 6.5881 7.1798 7.1798 11.9753 11.9753 15.9937 15.9937 16.3941 16.3941 17.8714 17.8714 21.9280 21.9281 k = 0.3767 0.4249-0.0000 ( 1009 PWs) bands (ev): -48.4603 -48.4603 -22.8806 -22.8806 -15.3400 -15.3400 -15.1690 -15.1690 6.5386 6.5386 7.3131 7.3131 11.8517 11.8517 16.1057 16.1057 16.5120 16.5120 17.9236 17.9236 21.7369 21.7369 k = 0.3836 0.4326-0.0000 ( 1009 PWs) bands (ev): -48.4595 -48.4595 -22.8835 -22.8835 -15.3472 -15.3472 -15.1737 -15.1737 6.4918 6.4918 7.4461 7.4461 11.7296 11.7296 16.2202 16.2202 16.6321 16.6321 17.9743 17.9743 21.5473 21.5473 k = 0.3904 0.4403-0.0000 ( 1009 PWs) bands (ev): -48.4588 -48.4588 -22.8863 -22.8863 -15.3541 -15.3541 -15.1781 -15.1781 6.4476 6.4476 7.5786 7.5786 11.6089 11.6089 16.3374 16.3374 16.7544 16.7544 18.0236 18.0236 21.3591 21.3591 k = 0.3973 0.4481-0.0000 ( 1009 PWs) bands (ev): -48.4580 -48.4580 -22.8889 -22.8889 -15.3605 -15.3605 -15.1823 -15.1823 6.4061 6.4061 7.7105 7.7105 11.4895 11.4895 16.4572 16.4572 16.8787 16.8787 18.0712 18.0712 21.1725 21.1725 k = 0.4041 0.4558-0.0000 ( 1009 PWs) bands (ev): -48.4574 -48.4574 -22.8913 -22.8913 -15.3666 -15.3666 -15.1863 -15.1863 6.3672 6.3672 7.8416 7.8416 11.3714 11.3714 16.5795 16.5795 17.0048 17.0048 18.1172 18.1172 20.9875 20.9875 k = 0.4110 0.4635-0.0000 ( 1009 PWs) bands (ev): -48.4567 -48.4567 -22.8937 -22.8937 -15.3723 -15.3723 -15.1901 -15.1901 6.3310 6.3310 7.9717 7.9717 11.2547 11.2547 16.7044 16.7044 17.1326 17.1326 18.1614 18.1614 20.8042 20.8042 k = 0.4178 0.4712-0.0000 ( 1009 PWs) bands (ev): -48.4561 -48.4561 -22.8958 -22.8958 -15.3775 -15.3775 -15.1935 -15.1935 6.2975 6.2975 8.1006 8.1006 11.1391 11.1391 16.8317 16.8317 17.2617 17.2617 18.2040 18.2040 20.6226 20.6226 k = 0.4247 0.4790-0.0000 ( 1009 PWs) bands (ev): -48.4556 -48.4556 -22.8978 -22.8978 -15.3824 -15.3824 -15.1968 -15.1968 6.2667 6.2667 8.2282 8.2282 11.0249 11.0249 16.9616 16.9616 17.3917 17.3917 18.2451 18.2451 20.4428 20.4428 k = 0.4315 0.4867-0.0000 ( 1017 PWs) bands (ev): -48.4551 -48.4551 -22.8998 -22.8998 -15.3871 -15.3871 -15.1998 -15.1998 6.2385 6.2385 8.3540 8.3540 10.9119 10.9119 17.0938 17.0938 17.5219 17.5219 18.2850 18.2850 20.2648 20.2648 k = 0.4384 0.4944-0.0000 ( 1017 PWs) bands (ev): -48.4546 -48.4546 -22.9015 -22.9015 -15.3911 -15.3911 -15.2025 -15.2025 6.2130 6.2130 8.4780 8.4780 10.8003 10.8003 17.2284 17.2284 17.6512 17.6512 18.3242 18.3242 20.0888 20.0888 k = 0.4452 0.5021-0.0000 ( 1009 PWs) bands (ev): -48.4542 -48.4542 -22.9028 -22.9028 -15.3945 -15.3945 -15.2049 -15.2049 6.1902 6.1902 8.5997 8.5997 10.6904 10.6904 17.3652 17.3652 17.7782 17.7782 18.3638 18.3638 19.9148 19.9148 k = 0.4521 0.5099-0.0000 ( 1013 PWs) bands (ev): -48.4538 -48.4538 -22.9042 -22.9042 -15.3978 -15.3978 -15.2072 -15.2072 6.1701 6.1701 8.7185 8.7185 10.5825 10.5825 17.5042 17.5042 17.9002 17.9002 18.4057 18.4057 19.7430 19.7430 k = 0.4589 0.5176-0.0000 ( 1002 PWs) bands (ev): -48.4535 -48.4535 -22.9051 -22.9051 -15.4005 -15.4005 -15.2088 -15.2088 6.1527 6.1527 8.8337 8.8337 10.4772 10.4772 17.6450 17.6450 18.0128 18.0128 18.4531 18.4531 19.5737 19.5737 k = 0.4658 0.5253-0.0000 ( 1010 PWs) bands (ev): -48.4532 -48.4532 -22.9063 -22.9063 -15.4030 -15.4030 -15.2105 -15.2105 6.1378 6.1378 8.9439 8.9439 10.3756 10.3756 17.7874 17.7874 18.1104 18.1104 18.5102 18.5102 19.4071 19.4071 k = 0.4726 0.5330-0.0000 ( 1010 PWs) bands (ev): -48.4530 -48.4530 -22.9071 -22.9071 -15.4050 -15.4050 -15.2118 -15.2118 6.1257 6.1257 9.0470 9.0470 10.2797 10.2797 17.9307 17.9307 18.1869 18.1869 18.5803 18.5803 19.2441 19.2441 k = 0.4795 0.5408-0.0000 ( 1010 PWs) bands (ev): -48.4528 -48.4528 -22.9078 -22.9078 -15.4065 -15.4065 -15.2129 -15.2129 6.1163 6.1163 9.1399 9.1399 10.1925 10.1925 18.0735 18.0735 18.2407 18.2407 18.6606 18.6606 19.0859 19.0859 k = 0.4863 0.5485-0.0000 ( 1010 PWs) bands (ev): -48.4527 -48.4527 -22.9082 -22.9082 -15.4076 -15.4076 -15.2136 -15.2136 6.1096 6.1096 9.2169 9.2169 10.1196 10.1196 18.2121 18.2121 18.2747 18.2747 18.7405 18.7405 18.9363 18.9363 k = 0.4932 0.5562-0.0000 ( 1010 PWs) bands (ev): -48.4526 -48.4526 -22.9085 -22.9085 -15.4082 -15.4082 -15.2140 -15.2140 6.1056 6.1056 9.2697 9.2697 10.0693 10.0693 18.2932 18.2932 18.3343 18.3343 18.8023 18.8023 18.8075 18.8075 k = 0.5000 0.5639-0.0000 ( 1010 PWs) bands (ev): -48.4526 -48.4526 -22.9086 -22.9086 -15.4084 -15.4084 -15.2142 -15.2142 6.1043 6.1043 9.2889 9.2889 10.0510 10.0510 18.2990 18.2990 18.3939 18.3939 18.7457 18.7457 18.8262 18.8262 k = 0.5000 0.5639-0.0000 ( 1010 PWs) bands (ev): -48.4526 -48.4526 -22.9086 -22.9086 -15.4084 -15.4084 -15.2142 -15.2142 6.1043 6.1043 9.2889 9.2889 10.0510 10.0510 18.2990 18.2990 18.3939 18.3939 18.7457 18.7457 18.8262 18.8262 k = 0.4946 0.5687 0.0072 ( 1014 PWs) bands (ev): -48.4526 -48.4526 -22.9087 -22.9087 -15.4083 -15.4083 -15.2144 -15.2144 6.1051 6.1051 9.2875 9.2875 10.0527 10.0527 18.2752 18.2752 18.3943 18.3943 18.7262 18.7262 18.8569 18.8569 k = 0.4893 0.5734 0.0143 ( 1018 PWs) bands (ev): -48.4527 -48.4527 -22.9087 -22.9087 -15.4080 -15.4080 -15.2147 -15.2147 6.1078 6.1078 9.2834 9.2834 10.0580 10.0580 18.2098 18.2098 18.3962 18.3962 18.7017 18.7017 18.9055 18.9055 k = 0.4839 0.5782 0.0215 ( 1018 PWs) bands (ev): -48.4527 -48.4527 -22.9086 -22.9086 -15.4074 -15.4074 -15.2150 -15.2150 6.1121 6.1121 9.2766 9.2766 10.0667 10.0667 18.1165 18.1165 18.3990 18.3990 18.6856 18.6856 18.9376 18.9376 k = 0.4786 0.5829 0.0286 ( 1020 PWs) bands (ev): -48.4528 -48.4528 -22.9085 -22.9085 -15.4065 -15.4065 -15.2155 -15.2155 6.1181 6.1181 9.2672 9.2672 10.0789 10.0789 18.0073 18.0073 18.4011 18.4011 18.6750 18.6750 18.9393 18.9393 k = 0.4732 0.5877 0.0358 ( 1018 PWs) bands (ev): -48.4528 -48.4528 -22.9082 -22.9082 -15.4053 -15.4053 -15.2160 -15.2160 6.1257 6.1257 9.2553 9.2553 10.0944 10.0944 17.8897 17.8897 18.4001 18.4001 18.6653 18.6653 18.9122 18.9122 k = 0.4679 0.5924 0.0429 ( 1014 PWs) bands (ev): -48.4529 -48.4529 -22.9079 -22.9079 -15.4039 -15.4039 -15.2166 -15.2166 6.1349 6.1349 9.2409 9.2409 10.1134 10.1134 17.7678 17.7678 18.3939 18.3939 18.6463 18.6463 18.8732 18.8732 k = 0.4625 0.5972 0.0501 ( 1012 PWs) bands (ev): -48.4530 -48.4530 -22.9075 -22.9075 -15.4023 -15.4023 -15.2173 -15.2173 6.1456 6.1456 9.2241 9.2241 10.1358 10.1358 17.6440 17.6440 18.3808 18.3808 18.6003 18.6003 18.8497 18.8497 k = 0.4572 0.6019 0.0572 ( 1012 PWs) bands (ev): -48.4531 -48.4531 -22.9072 -22.9072 -15.4005 -15.4005 -15.2181 -15.2181 6.1575 6.1575 9.2052 9.2052 10.1615 10.1615 17.5198 17.5198 18.3599 18.3599 18.5201 18.5201 18.8566 18.8566 k = 0.4518 0.6066 0.0644 ( 1012 PWs) bands (ev): -48.4533 -48.4533 -22.9068 -22.9068 -15.3984 -15.3984 -15.2190 -15.2190 6.1707 6.1707 9.1842 9.1842 10.1904 10.1904 17.3961 17.3961 18.3295 18.3295 18.4188 18.4188 18.8873 18.8873 k = 0.4465 0.6114 0.0715 ( 1012 PWs) bands (ev): -48.4534 -48.4534 -22.9064 -22.9064 -15.3962 -15.3962 -15.2199 -15.2199 6.1850 6.1850 9.1613 9.1613 10.2225 10.2225 17.2736 17.2736 18.2719 18.2719 18.3258 18.3258 18.9337 18.9337 k = 0.4411 0.6161 0.0787 ( 1012 PWs) bands (ev): -48.4536 -48.4536 -22.9059 -22.9059 -15.3938 -15.3938 -15.2208 -15.2208 6.2002 6.2002 9.1367 9.1367 10.2577 10.2577 17.1526 17.1526 18.1613 18.1613 18.2737 18.2737 18.9914 18.9914 k = 0.4358 0.6209 0.0858 ( 1014 PWs) bands (ev): -48.4538 -48.4538 -22.9054 -22.9054 -15.3912 -15.3912 -15.2217 -15.2217 6.2162 6.2162 9.1105 9.1105 10.2959 10.2959 17.0335 17.0335 18.0365 18.0365 18.2280 18.2280 19.0580 19.0580 k = 0.4304 0.6256 0.0930 ( 1006 PWs) bands (ev): -48.4540 -48.4540 -22.9046 -22.9046 -15.3884 -15.3884 -15.2224 -15.2224 6.2327 6.2327 9.0830 9.0830 10.3371 10.3371 16.9166 16.9166 17.9095 17.9095 18.1794 18.1794 19.1323 19.1323 k = 0.4251 0.6304 0.1001 ( 1006 PWs) bands (ev): -48.4542 -48.4542 -22.9039 -22.9039 -15.3855 -15.3855 -15.2231 -15.2231 6.2497 6.2497 9.0543 9.0543 10.3811 10.3811 16.8021 16.8021 17.7829 17.7829 18.1274 18.1274 19.2133 19.2133 k = 0.4197 0.6351 0.1073 ( 1002 PWs) bands (ev): -48.4544 -48.4544 -22.9031 -22.9031 -15.3825 -15.3825 -15.2237 -15.2237 6.2668 6.2668 9.0245 9.0245 10.4278 10.4278 16.6900 16.6900 17.6583 17.6583 18.0719 18.0719 19.3002 19.3002 k = 0.4144 0.6399 0.1144 ( 994 PWs) bands (ev): -48.4547 -48.4547 -22.9021 -22.9021 -15.3792 -15.3792 -15.2240 -15.2240 6.2839 6.2839 8.9940 8.9940 10.4771 10.4771 16.5807 16.5807 17.5370 17.5370 18.0131 18.0131 19.3927 19.3927 k = 0.4090 0.6446 0.1216 ( 994 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3761 -15.3761 -15.2243 -15.2243 6.3006 6.3006 8.9628 8.9628 10.5288 10.5288 16.4741 16.4741 17.4197 17.4197 17.9512 17.9512 19.4902 19.4902 k = 0.4090 0.6446 0.1216 ( 994 PWs) bands (ev): -48.4550 -48.4550 -22.9012 -22.9012 -15.3761 -15.3761 -15.2243 -15.2243 6.3006 6.3006 8.9628 8.9628 10.5288 10.5288 16.4741 16.4741 17.4197 17.4197 17.9512 17.9512 19.4902 19.4902 k = 0.4003 0.6416 0.1261 ( 992 PWs) bands (ev): -48.4552 -48.4552 -22.9006 -22.9006 -15.3741 -15.3741 -15.2241 -15.2241 6.3116 6.3116 8.9378 8.9378 10.5672 10.5672 16.4032 16.4032 17.3477 17.3477 17.9153 17.9153 19.5534 19.5534 k = 0.3916 0.6386 0.1306 ( 992 PWs) bands (ev): -48.4554 -48.4554 -22.8999 -22.8999 -15.3720 -15.3720 -15.2236 -15.2236 6.3233 6.3233 8.9038 8.9038 10.6148 10.6148 16.3242 16.3242 17.2780 17.2780 17.8878 17.8878 19.6157 19.6157 k = 0.3829 0.6356 0.1352 ( 994 PWs) bands (ev): -48.4557 -48.4557 -22.8991 -22.8991 -15.3700 -15.3700 -15.2226 -15.2226 6.3355 6.3355 8.8623 8.8623 10.6701 10.6701 16.2378 16.2378 17.2121 17.2121 17.8682 17.8682 19.6754 19.6754 k = 0.3742 0.6326 0.1397 ( 1000 PWs) bands (ev): -48.4560 -48.4560 -22.8983 -22.8983 -15.3682 -15.3682 -15.2211 -15.2211 6.3481 6.3481 8.8149 8.8149 10.7318 10.7318 16.1451 16.1451 17.1511 17.1511 17.8559 17.8559 19.7314 19.7314 k = 0.3655 0.6296 0.1442 ( 1000 PWs) bands (ev): -48.4563 -48.4563 -22.8973 -22.8973 -15.3663 -15.3663 -15.2191 -15.2191 6.3607 6.3607 8.7633 8.7633 10.7985 10.7985 16.0470 16.0470 17.0959 17.0959 17.8500 17.8500 19.7827 19.7827 k = 0.3568 0.6266 0.1487 ( 1002 PWs) bands (ev): -48.4566 -48.4566 -22.8962 -22.8962 -15.3646 -15.3646 -15.2164 -15.2164 6.3730 6.3730 8.7085 8.7085 10.8694 10.8694 15.9447 15.9447 17.0471 17.0471 17.8497 17.8497 19.8288 19.8288 k = 0.3481 0.6236 0.1533 ( 1002 PWs) bands (ev): -48.4570 -48.4570 -22.8950 -22.8950 -15.3631 -15.3631 -15.2131 -15.2131 6.3847 6.3847 8.6520 8.6520 10.9435 10.9435 15.8390 15.8390 17.0052 17.0052 17.8541 17.8541 19.8693 19.8693 k = 0.3394 0.6206 0.1578 ( 1003 PWs) bands (ev): -48.4574 -48.4574 -22.8937 -22.8937 -15.3619 -15.3619 -15.2093 -15.2093 6.3954 6.3954 8.5948 8.5948 11.0203 11.0203 15.7309 15.7309 16.9704 16.9704 17.8627 17.8627 19.9040 19.9040 k = 0.3307 0.6176 0.1623 ( 1003 PWs) bands (ev): -48.4579 -48.4579 -22.8924 -22.8924 -15.3608 -15.3608 -15.2048 -15.2048 6.4047 6.4047 8.5378 8.5378 11.0992 11.0992 15.6209 15.6209 16.9429 16.9429 17.8747 17.8747 19.9329 19.9329 k = 0.3220 0.6146 0.1668 ( 1002 PWs) bands (ev): -48.4583 -48.4583 -22.8909 -22.8909 -15.3600 -15.3600 -15.1997 -15.1997 6.4122 6.4122 8.4820 8.4820 11.1799 11.1799 15.5100 15.5100 16.9226 16.9226 17.8897 17.8897 19.9560 19.9560 k = 0.3133 0.6116 0.1713 ( 1002 PWs) bands (ev): -48.4588 -48.4588 -22.8894 -22.8894 -15.3595 -15.3595 -15.1940 -15.1940 6.4174 6.4174 8.4281 8.4281 11.2621 11.2621 15.3986 15.3986 16.9093 16.9093 17.9073 17.9073 19.9737 19.9737 k = 0.3046 0.6086 0.1759 ( 1001 PWs) bands (ev): -48.4592 -48.4592 -22.8878 -22.8878 -15.3592 -15.3592 -15.1878 -15.1878 6.4198 6.4198 8.3771 8.3771 11.3456 11.3456 15.2873 15.2873 16.9029 16.9029 17.9270 17.9270 19.9860 19.9860 k = 0.2959 0.6056 0.1804 ( 1001 PWs) bands (ev): -48.4597 -48.4597 -22.8862 -22.8862 -15.3591 -15.3591 -15.1811 -15.1811 6.4190 6.4190 8.3296 8.3296 11.4301 11.4301 15.1765 15.1765 16.9030 16.9030 17.9487 17.9487 19.9936 19.9936 k = 0.2872 0.6026 0.1849 ( 1005 PWs) bands (ev): -48.4603 -48.4603 -22.8846 -22.8846 -15.3594 -15.3594 -15.1740 -15.1740 6.4146 6.4146 8.2862 8.2862 11.5158 11.5158 15.0667 15.0667 16.9092 16.9092 17.9719 17.9719 19.9967 19.9967 k = 0.2785 0.5996 0.1894 ( 1005 PWs) bands (ev): -48.4608 -48.4608 -22.8829 -22.8829 -15.3597 -15.3597 -15.1664 -15.1664 6.4062 6.4062 8.2477 8.2477 11.6024 11.6024 14.9582 14.9582 16.9213 16.9213 17.9966 17.9966 19.9959 19.9959 k = 0.2698 0.5966 0.1939 ( 1004 PWs) bands (ev): -48.4613 -48.4613 -22.8812 -22.8812 -15.3602 -15.3602 -15.1585 -15.1585 6.3934 6.3934 8.2143 8.2143 11.6900 11.6900 14.8514 14.8514 16.9387 16.9387 18.0224 18.0224 19.9917 19.9917 k = 0.2611 0.5936 0.1985 ( 1004 PWs) bands (ev): -48.4619 -48.4619 -22.8794 -22.8794 -15.3608 -15.3608 -15.1502 -15.1502 6.3762 6.3762 8.1865 8.1865 11.7786 11.7786 14.7464 14.7464 16.9610 16.9610 18.0493 18.0493 19.9847 19.9847 k = 0.2524 0.5906 0.2030 ( 1006 PWs) bands (ev): -48.4624 -48.4624 -22.8777 -22.8777 -15.3615 -15.3615 -15.1418 -15.1418 6.3545 6.3545 8.1643 8.1643 11.8682 11.8682 14.6435 14.6435 16.9876 16.9876 18.0770 18.0770 19.9753 19.9753 k = 0.2437 0.5876 0.2075 ( 1007 PWs) bands (ev): -48.4630 -48.4630 -22.8759 -22.8759 -15.3624 -15.3624 -15.1331 -15.1331 6.3283 6.3283 8.1478 8.1478 11.9589 11.9589 14.5430 14.5430 17.0181 17.0181 18.1054 18.1054 19.9642 19.9642 k = 0.2350 0.5846 0.2120 ( 1007 PWs) bands (ev): -48.4635 -48.4635 -22.8741 -22.8741 -15.3633 -15.3633 -15.1242 -15.1242 6.2980 6.2980 8.1370 8.1370 12.0507 12.0507 14.4450 14.4450 17.0517 17.0517 18.1343 18.1343 19.9518 19.9518 k = 0.2263 0.5816 0.2166 ( 1007 PWs) bands (ev): -48.4641 -48.4641 -22.8723 -22.8723 -15.3642 -15.3642 -15.1152 -15.1152 6.2637 6.2637 8.1314 8.1314 12.1436 12.1436 14.3497 14.3497 17.0880 17.0880 18.1637 18.1637 19.9388 19.9388 k = 0.2176 0.5786 0.2211 ( 1007 PWs) bands (ev): -48.4646 -48.4646 -22.8705 -22.8705 -15.3652 -15.3652 -15.1061 -15.1061 6.2261 6.2261 8.1308 8.1308 12.2377 12.2377 14.2573 14.2573 17.1263 17.1263 18.1933 18.1933 19.9256 19.9256 k = 0.2089 0.5756 0.2256 ( 1001 PWs) bands (ev): -48.4652 -48.4652 -22.8686 -22.8686 -15.3662 -15.3662 -15.0969 -15.0969 6.1855 6.1855 8.1346 8.1346 12.3329 12.3329 14.1679 14.1679 17.1660 17.1660 18.2232 18.2232 19.9127 19.9127 k = 0.2002 0.5726 0.2301 ( 1005 PWs) bands (ev): -48.4657 -48.4657 -22.8669 -22.8669 -15.3673 -15.3673 -15.0879 -15.0879 6.1424 6.1424 8.1425 8.1425 12.4293 12.4293 14.0818 14.0818 17.2064 17.2064 18.2530 18.2530 19.9004 19.9004 k = 0.1915 0.5696 0.2346 ( 999 PWs) bands (ev): -48.4662 -48.4662 -22.8650 -22.8650 -15.3683 -15.3683 -15.0787 -15.0787 6.0976 6.0976 8.1538 8.1538 12.5269 12.5269 13.9990 13.9990 17.2469 17.2469 18.2828 18.2828 19.8891 19.8891 k = 0.1827 0.5666 0.2392 ( 1000 PWs) bands (ev): -48.4668 -48.4668 -22.8633 -22.8633 -15.3694 -15.3694 -15.0698 -15.0698 6.0514 6.0514 8.1681 8.1681 12.6254 12.6254 13.9198 13.9198 17.2869 17.2869 18.3124 18.3124 19.8788 19.8788 k = 0.1740 0.5636 0.2437 ( 1004 PWs) bands (ev): -48.4673 -48.4673 -22.8618 -22.8618 -15.3705 -15.3705 -15.0611 -15.0611 6.0045 6.0045 8.1848 8.1848 12.7247 12.7247 13.8445 13.8445 17.3259 17.3259 18.3417 18.3417 19.8695 19.8695 k = 0.1653 0.5606 0.2482 ( 1000 PWs) bands (ev): -48.4678 -48.4678 -22.8600 -22.8600 -15.3715 -15.3715 -15.0523 -15.0523 5.9573 5.9573 8.2035 8.2035 12.8245 12.8245 13.7733 13.7733 17.3633 17.3633 18.3706 18.3706 19.8605 19.8605 k = 0.1566 0.5576 0.2527 ( 999 PWs) bands (ev): -48.4683 -48.4683 -22.8584 -22.8584 -15.3725 -15.3725 -15.0439 -15.0439 5.9102 5.9102 8.2236 8.2236 12.9242 12.9242 13.7070 13.7070 17.3986 17.3986 18.3989 18.3989 19.8502 19.8502 k = 0.1479 0.5546 0.2572 ( 999 PWs) bands (ev): -48.4687 -48.4687 -22.8569 -22.8569 -15.3735 -15.3735 -15.0357 -15.0357 5.8637 5.8637 8.2448 8.2448 13.0225 13.0225 13.6466 13.6466 17.4316 17.4316 18.4265 18.4265 19.8355 19.8355 k = 0.1392 0.5516 0.2618 ( 1001 PWs) bands (ev): -48.4692 -48.4692 -22.8555 -22.8555 -15.3744 -15.3744 -15.0279 -15.0279 5.8183 5.8183 8.2666 8.2666 13.1169 13.1169 13.5944 13.5944 17.4618 17.4618 18.4532 18.4532 19.8090 19.8090 k = 0.1305 0.5486 0.2663 ( 1001 PWs) bands (ev): -48.4696 -48.4696 -22.8541 -22.8541 -15.3753 -15.3753 -15.0203 -15.0203 5.7741 5.7741 8.2887 8.2887 13.2017 13.2017 13.5562 13.5562 17.4892 17.4892 18.4790 18.4790 19.7568 19.7568 k = 0.1218 0.5456 0.2708 ( 1001 PWs) bands (ev): -48.4701 -48.4701 -22.8528 -22.8528 -15.3762 -15.3762 -15.0130 -15.0130 5.7315 5.7315 8.3108 8.3108 13.2631 13.2631 13.5454 13.5454 17.5136 17.5136 18.5037 18.5037 19.6626 19.6626 k = 0.1131 0.5426 0.2753 ( 1003 PWs) bands (ev): -48.4705 -48.4705 -22.8515 -22.8515 -15.3770 -15.3770 -15.0062 -15.0062 5.6909 5.6909 8.3326 8.3326 13.2843 13.2843 13.5784 13.5784 17.5349 17.5349 18.5272 18.5272 19.5279 19.5279 k = 0.1044 0.5396 0.2799 ( 1003 PWs) bands (ev): -48.4708 -48.4708 -22.8504 -22.8504 -15.3778 -15.3778 -14.9997 -14.9997 5.6524 5.6524 8.3537 8.3537 13.2714 13.2714 13.6486 13.6486 17.5535 17.5535 18.5493 18.5493 19.3708 19.3708 k = 0.0957 0.5366 0.2844 ( 1003 PWs) bands (ev): -48.4712 -48.4712 -22.8493 -22.8493 -15.3785 -15.3785 -14.9936 -14.9936 5.6162 5.6162 8.3741 8.3741 13.2438 13.2438 13.7361 13.7361 17.5693 17.5693 18.5698 18.5698 19.2066 19.2066 k = 0.0870 0.5336 0.2889 ( 1003 PWs) bands (ev): -48.4715 -48.4715 -22.8482 -22.8482 -15.3791 -15.3791 -14.9880 -14.9880 5.5826 5.5826 8.3933 8.3933 13.2120 13.2120 13.8295 13.8295 17.5826 17.5826 18.5882 18.5882 19.0434 19.0434 k = 0.0783 0.5306 0.2934 ( 1003 PWs) bands (ev): -48.4718 -48.4718 -22.8473 -22.8473 -15.3797 -15.3797 -14.9828 -14.9828 5.5518 5.5518 8.4113 8.4113 13.1803 13.1803 13.9238 13.9238 17.5938 17.5938 18.6037 18.6037 18.8866 18.8866 k = 0.0696 0.5276 0.2979 ( 1005 PWs) bands (ev): -48.4721 -48.4721 -22.8465 -22.8465 -15.3803 -15.3803 -14.9782 -14.9782 5.5238 5.5238 8.4278 8.4278 13.1505 13.1505 14.0161 14.0161 17.6030 17.6030 18.6113 18.6113 18.7441 18.7441 k = 0.0609 0.5246 0.3025 ( 1005 PWs) bands (ev): -48.4723 -48.4723 -22.8457 -22.8457 -15.3808 -15.3808 -14.9740 -14.9740 5.4988 5.4988 8.4428 8.4428 13.1233 13.1233 14.1043 14.1043 17.6108 17.6108 18.5640 18.5640 18.6648 18.6648 k = 0.0522 0.5216 0.3070 ( 1005 PWs) bands (ev): -48.4725 -48.4725 -22.8451 -22.8451 -15.3812 -15.3812 -14.9704 -14.9704 5.4769 5.4769 8.4560 8.4560 13.0994 13.0994 14.1864 14.1864 17.6173 17.6173 18.4498 18.4498 18.6631 18.6631 k = 0.0435 0.5186 0.3115 ( 1005 PWs) bands (ev): -48.4727 -48.4727 -22.8445 -22.8445 -15.3815 -15.3815 -14.9672 -14.9672 5.4583 5.4583 8.4674 8.4674 13.0789 13.0789 14.2605 14.2605 17.6228 17.6228 18.3385 18.3385 18.6708 18.6708 k = 0.0348 0.5156 0.3160 ( 1007 PWs) bands (ev): -48.4728 -48.4728 -22.8441 -22.8441 -15.3818 -15.3818 -14.9647 -14.9647 5.4429 5.4429 8.4769 8.4769 13.0619 13.0619 14.3248 14.3248 17.6277 17.6277 18.2418 18.2418 18.6785 18.6785 k = 0.0261 0.5126 0.3205 ( 1008 PWs) bands (ev): -48.4729 -48.4729 -22.8438 -22.8438 -15.3821 -15.3821 -14.9627 -14.9627 5.4309 5.4309 8.4843 8.4843 13.0486 13.0486 14.3774 14.3774 17.6319 17.6319 18.1628 18.1628 18.6849 18.6849 k = 0.0174 0.5096 0.3251 ( 1008 PWs) bands (ev): -48.4730 -48.4730 -22.8435 -22.8435 -15.3822 -15.3822 -14.9613 -14.9613 5.4222 5.4222 8.4897 8.4897 13.0391 13.0391 14.4163 14.4163 17.6354 17.6354 18.1043 18.1043 18.6896 18.6896 k = 0.0087 0.5066 0.3296 ( 1008 PWs) bands (ev): -48.4731 -48.4731 -22.8434 -22.8434 -15.3823 -15.3823 -14.9605 -14.9605 5.4171 5.4171 8.4929 8.4929 13.0334 13.0334 14.4404 14.4404 17.6377 17.6377 18.0681 18.0681 18.6924 18.6924 k = 0.0000 0.5036 0.3341 ( 1008 PWs) bands (ev): -48.4731 -48.4731 -22.8433 -22.8433 -15.3823 -15.3823 -14.9602 -14.9602 5.4153 5.4153 8.4940 8.4940 13.0315 13.0315 14.4485 14.4485 17.6386 17.6386 18.0558 18.0558 18.6934 18.6934 k = 0.0000 0.5036 0.3341 ( 1008 PWs) bands (ev): -48.4731 -48.4731 -22.8433 -22.8433 -15.3823 -15.3823 -14.9602 -14.9602 5.4153 5.4153 8.4940 8.4940 13.0315 13.0315 14.4485 14.4485 17.6386 17.6386 18.0558 18.0558 18.6934 18.6934 k = 0.0054 0.4988 0.3414 ( 1008 PWs) bands (ev): -48.4731 -48.4731 -22.8434 -22.8434 -15.3823 -15.3823 -14.9604 -14.9604 5.4173 5.4173 8.4927 8.4927 13.0283 13.0283 14.4499 14.4499 17.6387 17.6387 18.0606 18.0606 18.6971 18.6971 k = 0.0109 0.4940 0.3486 ( 1010 PWs) bands (ev): -48.4731 -48.4731 -22.8435 -22.8435 -15.3822 -15.3822 -14.9612 -14.9612 5.4232 5.4232 8.4888 8.4888 13.0187 13.0187 14.4542 14.4542 17.6390 17.6390 18.0746 18.0746 18.7083 18.7083 k = 0.0163 0.4892 0.3559 ( 1010 PWs) bands (ev): -48.4730 -48.4730 -22.8437 -22.8437 -15.3820 -15.3820 -14.9623 -14.9623 5.4331 5.4331 8.4824 8.4824 13.0029 13.0029 14.4614 14.4614 17.6394 17.6394 18.0974 18.0974 18.7274 18.7274 k = 0.0217 0.4843 0.3632 ( 1008 PWs) bands (ev): -48.4730 -48.4730 -22.8438 -22.8438 -15.3817 -15.3817 -14.9639 -14.9639 5.4469 5.4469 8.4735 8.4735 12.9812 12.9812 14.4715 14.4715 17.6401 17.6401 18.1280 18.1280 18.7548 18.7548 k = 0.0272 0.4795 0.3704 ( 1012 PWs) bands (ev): -48.4729 -48.4729 -22.8442 -22.8442 -15.3814 -15.3814 -14.9660 -14.9660 5.4645 5.4645 8.4621 8.4621 12.9539 12.9539 14.4844 14.4844 17.6409 17.6409 18.1653 18.1653 18.7912 18.7912 k = 0.0326 0.4747 0.3777 ( 1008 PWs) bands (ev): -48.4728 -48.4728 -22.8445 -22.8445 -15.3808 -15.3808 -14.9685 -14.9685 5.4860 5.4860 8.4485 8.4485 12.9214 12.9214 14.5003 14.5003 17.6417 17.6417 18.2078 18.2078 18.8373 18.8373 k = 0.0380 0.4699 0.3850 ( 1008 PWs) bands (ev): -48.4727 -48.4727 -22.8449 -22.8449 -15.3803 -15.3803 -14.9714 -14.9714 5.5112 5.5112 8.4325 8.4325 12.8843 12.8843 14.5190 14.5190 17.6425 17.6425 18.2541 18.2541 18.8940 18.8940 k = 0.0435 0.4651 0.3922 ( 1004 PWs) bands (ev): -48.4726 -48.4726 -22.8452 -22.8452 -15.3796 -15.3796 -14.9747 -14.9747 5.5401 5.5401 8.4143 8.4143 12.8429 12.8429 14.5407 14.5407 17.6432 17.6432 18.3027 18.3027 18.9617 18.9617 k = 0.0489 0.4603 0.3995 ( 1004 PWs) bands (ev): -48.4725 -48.4725 -22.8457 -22.8457 -15.3788 -15.3788 -14.9785 -14.9785 5.5726 5.5726 8.3941 8.3941 12.7978 12.7978 14.5651 14.5651 17.6435 17.6435 18.3523 18.3523 19.0405 19.0405 k = 0.0543 0.4554 0.4067 ( 1004 PWs) bands (ev): -48.4723 -48.4723 -22.8463 -22.8463 -15.3780 -15.3780 -14.9826 -14.9826 5.6086 5.6086 8.3719 8.3719 12.7496 12.7496 14.5923 14.5923 17.6435 17.6435 18.4021 18.4021 19.1295 19.1295 k = 0.0598 0.4506 0.4140 ( 1002 PWs) bands (ev): -48.4722 -48.4722 -22.8469 -22.8469 -15.3771 -15.3771 -14.9871 -14.9871 5.6481 5.6481 8.3480 8.3480 12.6987 12.6987 14.6222 14.6222 17.6427 17.6427 18.4516 18.4516 19.2251 19.2251 k = 0.0652 0.4458 0.4213 ( 998 PWs) bands (ev): -48.4720 -48.4720 -22.8474 -22.8474 -15.3760 -15.3760 -14.9919 -14.9919 5.6908 5.6908 8.3224 8.3224 12.6457 12.6457 14.6548 14.6548 17.6411 17.6411 18.5004 18.5004 19.3134 19.3134 k = 0.0707 0.4410 0.4285 ( 998 PWs) bands (ev): -48.4718 -48.4718 -22.8481 -22.8481 -15.3750 -15.3750 -14.9972 -14.9972 5.7367 5.7367 8.2953 8.2953 12.5910 12.5910 14.6898 14.6898 17.6383 17.6383 18.5485 18.5485 19.3385 19.3385 k = 0.0761 0.4362 0.4358 ( 998 PWs) bands (ev): -48.4717 -48.4717 -22.8489 -22.8489 -15.3738 -15.3738 -15.0027 -15.0027 5.7856 5.7856 8.2669 8.2669 12.5351 12.5351 14.7271 14.7271 17.6339 17.6339 18.5958 18.5958 19.2793 19.2793 k = 0.0815 0.4313 0.4431 ( 1000 PWs) bands (ev): -48.4715 -48.4715 -22.8497 -22.8497 -15.3727 -15.3727 -15.0085 -15.0085 5.8373 5.8373 8.2373 8.2373 12.4783 12.4783 14.7666 14.7666 17.6276 17.6276 18.6420 18.6420 19.1950 19.1950 k = 0.0870 0.4265 0.4503 ( 1000 PWs) bands (ev): -48.4713 -48.4713 -22.8505 -22.8505 -15.3714 -15.3714 -15.0146 -15.0146 5.8918 5.8918 8.2067 8.2067 12.4211 12.4211 14.8079 14.8079 17.6189 17.6189 18.6861 18.6861 19.1075 19.1075 k = 0.0924 0.4217 0.4576 ( 998 PWs) bands (ev): -48.4711 -48.4711 -22.8513 -22.8513 -15.3699 -15.3699 -15.0209 -15.0209 5.9488 5.9488 8.1754 8.1754 12.3638 12.3638 14.8510 14.8510 17.6074 17.6074 18.7255 18.7255 19.0253 19.0253 k = 0.0978 0.4169 0.4649 ( 1002 PWs) bands (ev): -48.4709 -48.4709 -22.8523 -22.8523 -15.3686 -15.3686 -15.0274 -15.0274 6.0081 6.0081 8.1433 8.1433 12.3066 12.3066 14.8953 14.8953 17.5926 17.5926 18.7513 18.7513 18.9598 18.9598 k = 0.1033 0.4121 0.4721 ( 1000 PWs) bands (ev): -48.4706 -48.4706 -22.8532 -22.8532 -15.3670 -15.3670 -15.0341 -15.0341 6.0695 6.0695 8.1109 8.1109 12.2499 12.2499 14.9406 14.9406 17.5740 17.5740 18.7433 18.7433 18.9333 18.9333 k = 0.1087 0.4073 0.4794 ( 1002 PWs) bands (ev): -48.4704 -48.4704 -22.8541 -22.8541 -15.3654 -15.3654 -15.0410 -15.0410 6.1327 6.1327 8.0782 8.0782 12.1939 12.1939 14.9864 14.9864 17.5513 17.5513 18.6980 18.6980 18.9507 18.9507 k = 0.1141 0.4024 0.4866 ( 1002 PWs) bands (ev): -48.4702 -48.4702 -22.8551 -22.8551 -15.3638 -15.3638 -15.0480 -15.0480 6.1977 6.1977 8.0454 8.0454 12.1388 12.1388 15.0322 15.0322 17.5244 17.5244 18.6401 18.6401 18.9886 18.9886 k = 0.1196 0.3976 0.4939 ( 998 PWs) bands (ev): -48.4700 -48.4700 -22.8559 -22.8559 -15.3619 -15.3619 -15.0551 -15.0551 6.2640 6.2640 8.0127 8.0127 12.0848 12.0848 15.0773 15.0773 17.4935 17.4935 18.5835 18.5835 19.0338 19.0338 k = 0.1250 0.3928 0.5012 ( 996 PWs) bands (ev): -48.4698 -48.4698 -22.8568 -22.8568 -15.3601 -15.3601 -15.0622 -15.0622 6.3314 6.3314 7.9802 7.9802 12.0322 12.0322 15.1210 15.1210 17.4595 17.4595 18.5326 18.5326 19.0822 19.0822 k = 0.1304 0.3880 0.5084 ( 1000 PWs) bands (ev): -48.4695 -48.4695 -22.8579 -22.8579 -15.3583 -15.3583 -15.0695 -15.0695 6.3996 6.3996 7.9483 7.9483 11.9809 11.9809 15.1623 15.1623 17.4235 17.4235 18.4889 18.4889 19.1320 19.1320 k = 0.1359 0.3832 0.5157 ( 1000 PWs) bands (ev): -48.4693 -48.4693 -22.8588 -22.8588 -15.3563 -15.3563 -15.0768 -15.0768 6.4683 6.4683 7.9169 7.9169 11.9313 11.9313 15.2005 15.2005 17.3871 17.3871 18.4529 18.4529 19.1826 19.1826 k = 0.1413 0.3783 0.5230 ( 996 PWs) bands (ev): -48.4691 -48.4691 -22.8597 -22.8597 -15.3542 -15.3542 -15.0840 -15.0840 6.5371 6.5371 7.8864 7.8864 11.8834 11.8834 15.2344 15.2344 17.3524 17.3524 18.4240 18.4240 19.2335 19.2335 k = 0.1467 0.3735 0.5302 ( 996 PWs) bands (ev): -48.4689 -48.4689 -22.8606 -22.8606 -15.3522 -15.3522 -15.0912 -15.0912 6.6057 6.6057 7.8570 7.8570 11.8373 11.8373 15.2629 15.2629 17.3215 17.3215 18.4016 18.4016 19.2843 19.2843 k = 0.1522 0.3687 0.5375 ( 1002 PWs) bands (ev): -48.4687 -48.4687 -22.8617 -22.8617 -15.3502 -15.3502 -15.0985 -15.0985 6.6736 6.6736 7.8286 7.8286 11.7931 11.7931 15.2851 15.2851 17.2966 17.2966 18.3848 18.3848 19.3347 19.3347 k = 0.1576 0.3639 0.5448 ( 1002 PWs) bands (ev): -48.4685 -48.4685 -22.8626 -22.8626 -15.3480 -15.3480 -15.1056 -15.1056 6.7405 6.7405 7.8018 7.8018 11.7509 11.7509 15.3000 15.3000 17.2796 17.2796 18.3731 18.3731 19.3845 19.3845 k = 0.1630 0.3591 0.5520 ( 998 PWs) bands (ev): -48.4682 -48.4682 -22.8634 -22.8634 -15.3457 -15.3457 -15.1125 -15.1125 6.8058 6.8058 7.7766 7.7766 11.7109 11.7109 15.3071 15.3071 17.2720 17.2720 18.3655 18.3655 19.4335 19.4335 k = 0.1685 0.3542 0.5593 ( 1000 PWs) bands (ev): -48.4681 -48.4681 -22.8642 -22.8642 -15.3435 -15.3435 -15.1193 -15.1193 6.8692 6.8692 7.7533 7.7533 11.6729 11.6729 15.3062 15.3062 17.2748 17.2748 18.3615 18.3615 19.4813 19.4813 k = 0.1739 0.3494 0.5665 ( 1002 PWs) bands (ev): -48.4679 -48.4679 -22.8651 -22.8651 -15.3413 -15.3413 -15.1260 -15.1260 6.9300 6.9300 7.7321 7.7321 11.6373 11.6373 15.2975 15.2975 17.2883 17.2883 18.3606 18.3606 19.5276 19.5276 k = 0.1793 0.3446 0.5738 ( 1002 PWs) bands (ev): -48.4677 -48.4677 -22.8659 -22.8659 -15.3390 -15.3390 -15.1324 -15.1324 6.9876 6.9876 7.7134 7.7134 11.6038 11.6038 15.2818 15.2818 17.3122 17.3122 18.3625 18.3625 19.5724 19.5724 k = 0.1848 0.3398 0.5811 ( 1002 PWs) bands (ev): -48.4675 -48.4675 -22.8666 -22.8666 -15.3368 -15.3368 -15.1386 -15.1386 7.0415 7.0415 7.6973 7.6973 11.5727 11.5727 15.2599 15.2599 17.3458 17.3458 18.3667 18.3667 19.6152 19.6152 k = 0.1902 0.3350 0.5883 ( 1002 PWs) bands (ev): -48.4674 -48.4674 -22.8673 -22.8673 -15.3346 -15.3346 -15.1445 -15.1445 7.0911 7.0911 7.6842 7.6842 11.5440 11.5440 15.2333 15.2333 17.3877 17.3877 18.3733 18.3733 19.6559 19.6559 k = 0.1957 0.3302 0.5956 ( 1004 PWs) bands (ev): -48.4672 -48.4672 -22.8680 -22.8680 -15.3324 -15.3324 -15.1502 -15.1502 7.1357 7.1357 7.6744 7.6744 11.5177 11.5177 15.2034 15.2034 17.4363 17.4363 18.3821 18.3821 19.6941 19.6941 k = 0.2011 0.3253 0.6029 ( 1004 PWs) bands (ev): -48.4671 -48.4671 -22.8686 -22.8686 -15.3303 -15.3303 -15.1555 -15.1555 7.1748 7.1748 7.6681 7.6681 11.4938 11.4938 15.1716 15.1716 17.4897 17.4897 18.3931 18.3931 19.7296 19.7296 k = 0.2065 0.3205 0.6101 ( 1000 PWs) bands (ev): -48.4670 -48.4670 -22.8690 -22.8690 -15.3282 -15.3282 -15.1603 -15.1603 7.2081 7.2081 7.6653 7.6653 11.4724 11.4724 15.1394 15.1394 17.5459 17.5459 18.4065 18.4065 19.7621 19.7621 k = 0.2120 0.3157 0.6174 ( 1002 PWs) bands (ev): -48.4668 -48.4668 -22.8695 -22.8695 -15.3263 -15.3263 -15.1648 -15.1648 7.2354 7.2354 7.6658 7.6658 11.4534 11.4534 15.1079 15.1079 17.6025 17.6025 18.4222 18.4222 19.7914 19.7914 k = 0.2174 0.3109 0.6246 ( 1006 PWs) bands (ev): -48.4668 -48.4668 -22.8700 -22.8700 -15.3246 -15.3246 -15.1688 -15.1688 7.2570 7.2570 7.6690 7.6690 11.4369 11.4369 15.0784 15.0784 17.6572 17.6572 18.4401 18.4401 19.8172 19.8172 k = 0.2228 0.3061 0.6319 ( 1010 PWs) bands (ev): -48.4667 -48.4667 -22.8705 -22.8705 -15.3231 -15.3231 -15.1723 -15.1723 7.2733 7.2733 7.6741 7.6741 11.4230 11.4230 15.0518 15.0518 17.7078 17.7078 18.4600 18.4600 19.8392 19.8392 k = 0.2283 0.3012 0.6392 ( 1012 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.3218 -15.3218 -15.1753 -15.1753 7.2852 7.2852 7.6801 7.6801 11.4116 11.4116 15.0289 15.0289 17.7521 17.7521 18.4808 18.4808 19.8572 19.8572 k = 0.2337 0.2964 0.6464 ( 1012 PWs) bands (ev): -48.4666 -48.4666 -22.8711 -22.8711 -15.3208 -15.3208 -15.1776 -15.1776 7.2935 7.2935 7.6861 7.6861 11.4027 11.4027 15.0104 15.0104 17.7882 17.7882 18.5010 18.5010 19.8707 19.8707 k = 0.2391 0.2916 0.6537 ( 1012 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3200 -15.3200 -15.1792 -15.1792 7.2988 7.2988 7.6911 7.6911 11.3963 11.3963 14.9968 14.9968 17.8148 17.8148 18.5183 18.5183 19.8791 19.8791 k = 0.2446 0.2868 0.6610 ( 1016 PWs) bands (ev): -48.4665 -48.4665 -22.8715 -22.8715 -15.3195 -15.3195 -15.1803 -15.1803 7.3018 7.3018 7.6943 7.6943 11.3925 11.3925 14.9885 14.9885 17.8310 17.8310 18.5300 18.5300 19.8825 19.8825 k = 0.2500 0.2820 0.6682 ( 1020 PWs) bands (ev): -48.4665 -48.4665 -22.8716 -22.8716 -15.3195 -15.3195 -15.1807 -15.1807 7.3027 7.3027 7.6954 7.6954 11.3912 11.3912 14.9858 14.9858 17.8365 17.8365 18.5342 18.5342 19.8827 19.8828 k = 0.2500 0.2820 0.6682 ( 1020 PWs) bands (ev): -48.4665 -48.4665 -22.8716 -22.8716 -15.3195 -15.3195 -15.1807 -15.1807 7.3027 7.3027 7.6954 7.6954 11.3912 11.3912 14.9858 14.9858 17.8365 17.8365 18.5342 18.5342 19.8827 19.8828 k = 0.2545 0.2871 0.6605 ( 1016 PWs) bands (ev): -48.4665 -48.4665 -22.8715 -22.8715 -15.3196 -15.3196 -15.1803 -15.1803 7.3020 7.3020 7.6951 7.6951 11.3895 11.3895 14.9911 14.9911 17.8334 17.8334 18.5315 18.5315 19.8790 19.8790 k = 0.2591 0.2922 0.6528 ( 1012 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3203 -15.3203 -15.1791 -15.1791 7.2997 7.2997 7.6944 7.6944 11.3844 11.3844 15.0070 15.0070 17.8245 17.8245 18.5225 18.5225 19.8713 19.8713 k = 0.2636 0.2973 0.6450 ( 1010 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.3215 -15.3215 -15.1774 -15.1774 7.2957 7.2957 7.6936 7.6936 11.3761 11.3761 15.0333 15.0333 17.8103 17.8103 18.5063 18.5063 19.8651 19.8651 k = 0.2682 0.3025 0.6373 ( 1010 PWs) bands (ev): -48.4666 -48.4666 -22.8711 -22.8711 -15.3231 -15.3231 -15.1751 -15.1751 7.2902 7.2902 7.6928 7.6928 11.3647 11.3647 15.0693 15.0693 17.7914 17.7914 18.4820 18.4820 19.8622 19.8622 k = 0.2727 0.3076 0.6296 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.3250 -15.3250 -15.1722 -15.1722 7.2831 7.2831 7.6924 7.6924 11.3505 11.3505 15.1147 15.1147 17.7684 17.7684 18.4493 18.4493 19.8632 19.8632 k = 0.2773 0.3127 0.6219 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8708 -22.8708 -15.3274 -15.3274 -15.1690 -15.1690 7.2746 7.2746 7.6922 7.6922 11.3339 11.3339 15.1686 15.1686 17.7422 17.7422 18.4079 18.4079 19.8682 19.8682 k = 0.2818 0.3179 0.6141 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8706 -22.8706 -15.3300 -15.3300 -15.1654 -15.1654 7.2649 7.2649 7.6923 7.6923 11.3153 11.3153 15.2303 15.2303 17.7134 17.7134 18.3581 18.3581 19.8767 19.8767 k = 0.2864 0.3230 0.6064 ( 1003 PWs) bands (ev): -48.4666 -48.4666 -22.8704 -22.8704 -15.3327 -15.3327 -15.1615 -15.1615 7.2543 7.2543 7.6926 7.6926 11.2952 11.2952 15.2990 15.2990 17.6827 17.6827 18.3003 18.3003 19.8884 19.8884 k = 0.2909 0.3281 0.5987 ( 1005 PWs) bands (ev): -48.4667 -48.4667 -22.8704 -22.8704 -15.3357 -15.3357 -15.1575 -15.1575 7.2430 7.2430 7.6930 7.6930 11.2741 11.2741 15.3737 15.3737 17.6507 17.6507 18.2351 18.2351 19.9026 19.9026 k = 0.2955 0.3332 0.5910 ( 1005 PWs) bands (ev): -48.4667 -48.4667 -22.8702 -22.8702 -15.3387 -15.3387 -15.1534 -15.1534 7.2313 7.2313 7.6934 7.6934 11.2524 11.2524 15.4535 15.4535 17.6180 17.6180 18.1634 18.1634 19.9188 19.9188 k = 0.3000 0.3384 0.5832 ( 1005 PWs) bands (ev): -48.4667 -48.4667 -22.8701 -22.8701 -15.3417 -15.3417 -15.1493 -15.1493 7.2197 7.2197 7.6935 7.6935 11.2305 11.2305 15.5374 15.5374 17.5851 17.5851 18.0861 18.0861 19.9365 19.9365 k = 0.3045 0.3435 0.5755 ( 1005 PWs) bands (ev): -48.4667 -48.4667 -22.8701 -22.8701 -15.3447 -15.3447 -15.1453 -15.1453 7.2083 7.2083 7.6933 7.6933 11.2088 11.2088 15.6242 15.6242 17.5524 17.5524 18.0044 18.0044 19.9553 19.9553 k = 0.3091 0.3486 0.5678 ( 1003 PWs) bands (ev): -48.4667 -48.4667 -22.8699 -22.8699 -15.3477 -15.3477 -15.1413 -15.1413 7.1974 7.1974 7.6926 7.6926 11.1876 11.1876 15.7129 15.7129 17.5202 17.5202 17.9196 17.9196 19.9747 19.9747 k = 0.3136 0.3537 0.5600 ( 1007 PWs) bands (ev): -48.4667 -48.4667 -22.8700 -22.8700 -15.3507 -15.3507 -15.1376 -15.1376 7.1875 7.1875 7.6912 7.6912 11.1673 11.1673 15.8018 15.8018 17.4887 17.4887 17.8332 17.8332 19.9943 19.9943 k = 0.3182 0.3589 0.5523 ( 1007 PWs) bands (ev): -48.4667 -48.4667 -22.8700 -22.8700 -15.3535 -15.3535 -15.1341 -15.1341 7.1786 7.1786 7.6889 7.6889 11.1481 11.1481 15.8893 15.8893 17.4580 17.4580 17.7474 17.7474 20.0139 20.0139 k = 0.3227 0.3640 0.5446 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8700 -22.8700 -15.3562 -15.3562 -15.1307 -15.1307 7.1712 7.1712 7.6857 7.6857 11.1303 11.1303 15.9733 15.9733 17.4277 17.4277 17.6648 17.6648 20.0332 20.0332 k = 0.3273 0.3691 0.5369 ( 1004 PWs) bands (ev): -48.4666 -48.4666 -22.8700 -22.8700 -15.3588 -15.3588 -15.1276 -15.1276 7.1653 7.1653 7.6814 7.6814 11.1141 11.1141 16.0508 16.0508 17.3976 17.3976 17.5892 17.5892 20.0520 20.0520 k = 0.3318 0.3742 0.5291 ( 1011 PWs) bands (ev): -48.4665 -48.4665 -22.8703 -22.8703 -15.3614 -15.3614 -15.1250 -15.1250 7.1611 7.1611 7.6759 7.6759 11.0996 11.0996 16.1182 16.1182 17.3671 17.3671 17.5248 17.5248 20.0700 20.0700 k = 0.3364 0.3794 0.5214 ( 1013 PWs) bands (ev): -48.4664 -48.4664 -22.8705 -22.8705 -15.3637 -15.3637 -15.1227 -15.1227 7.1589 7.1589 7.6692 7.6692 11.0869 11.0869 16.1706 16.1706 17.3375 17.3375 17.4755 17.4755 20.0871 20.0871 k = 0.3409 0.3845 0.5137 ( 1009 PWs) bands (ev): -48.4663 -48.4663 -22.8706 -22.8706 -15.3658 -15.3658 -15.1206 -15.1206 7.1586 7.1586 7.6614 7.6614 11.0762 11.0762 16.2026 16.2026 17.3136 17.3136 17.4422 17.4422 20.1032 20.1032 k = 0.3455 0.3896 0.5059 ( 1007 PWs) bands (ev): -48.4662 -48.4662 -22.8708 -22.8708 -15.3677 -15.3677 -15.1189 -15.1189 7.1605 7.1605 7.6523 7.6523 11.0676 11.0676 16.2095 16.2095 17.3018 17.3018 17.4235 17.4235 20.1180 20.1180 k = 0.3500 0.3948 0.4982 ( 1007 PWs) bands (ev): -48.4661 -48.4661 -22.8711 -22.8711 -15.3694 -15.3694 -15.1178 -15.1178 7.1645 7.1645 7.6420 7.6420 11.0610 11.0610 16.1891 16.1891 17.3041 17.3041 17.4196 17.4196 20.1315 20.1315 k = 0.3545 0.3999 0.4905 ( 1007 PWs) bands (ev): -48.4660 -48.4660 -22.8714 -22.8714 -15.3710 -15.3710 -15.1170 -15.1170 7.1706 7.1706 7.6306 7.6306 11.0566 11.0566 16.1432 16.1432 17.3150 17.3150 17.4347 17.4347 20.1434 20.1434 k = 0.3591 0.4050 0.4828 ( 1007 PWs) bands (ev): -48.4658 -48.4658 -22.8718 -22.8718 -15.3723 -15.3723 -15.1167 -15.1167 7.1787 7.1787 7.6183 7.6183 11.0543 11.0543 16.0759 16.0759 17.3258 17.3258 17.4732 17.4732 20.1536 20.1536 k = 0.3636 0.4101 0.4750 ( 1011 PWs) bands (ev): -48.4657 -48.4657 -22.8723 -22.8723 -15.3736 -15.3736 -15.1169 -15.1169 7.1885 7.1885 7.6053 7.6053 11.0542 11.0542 15.9925 15.9925 17.3344 17.3344 17.5324 17.5324 20.1620 20.1620 k = 0.3682 0.4153 0.4673 ( 1011 PWs) bands (ev): -48.4655 -48.4655 -22.8728 -22.8728 -15.3745 -15.3745 -15.1174 -15.1174 7.1999 7.1999 7.5920 7.5920 11.0560 11.0560 15.8976 15.8976 17.3429 17.3429 17.6057 17.6057 20.1684 20.1684 k = 0.3727 0.4204 0.4596 ( 1015 PWs) bands (ev): -48.4653 -48.4653 -22.8734 -22.8734 -15.3753 -15.3753 -15.1186 -15.1186 7.2122 7.2122 7.5790 7.5790 11.0599 11.0599 15.7950 15.7950 17.3532 17.3532 17.6877 17.6877 20.1727 20.1727 k = 0.3773 0.4255 0.4519 ( 1013 PWs) bands (ev): -48.4651 -48.4651 -22.8739 -22.8739 -15.3758 -15.3758 -15.1200 -15.1200 7.2248 7.2248 7.5672 7.5672 11.0658 11.0658 15.6873 15.6873 17.3660 17.3660 17.7749 17.7749 20.1746 20.1746 k = 0.3818 0.4306 0.4441 ( 1011 PWs) bands (ev): -48.4648 -48.4648 -22.8745 -22.8745 -15.3762 -15.3762 -15.1218 -15.1218 7.2364 7.2364 7.5576 7.5576 11.0734 11.0734 15.5768 15.5768 17.3820 17.3820 17.8651 17.8651 20.1741 20.1741 k = 0.3864 0.4358 0.4364 ( 1011 PWs) bands (ev): -48.4646 -48.4646 -22.8751 -22.8751 -15.3764 -15.3764 -15.1241 -15.1241 7.2456 7.2456 7.5517 7.5517 11.0826 11.0826 15.4649 15.4649 17.4012 17.4012 17.9566 17.9566 20.1709 20.1709 k = 0.3909 0.4409 0.4287 ( 1010 PWs) bands (ev): -48.4643 -48.4643 -22.8758 -22.8758 -15.3763 -15.3763 -15.1268 -15.1268 7.2508 7.2508 7.5514 7.5514 11.0933 11.0933 15.3530 15.3530 17.4239 17.4239 18.0483 18.0483 20.1649 20.1649 k = 0.3955 0.4460 0.4209 ( 1008 PWs) bands (ev): -48.4641 -48.4641 -22.8765 -22.8765 -15.3761 -15.3761 -15.1298 -15.1298 7.2503 7.2503 7.5581 7.5581 11.1053 11.1053 15.2422 15.2422 17.4499 17.4499 18.1393 18.1393 20.1558 20.1558 k = 0.4000 0.4511 0.4132 ( 1008 PWs) bands (ev): -48.4638 -48.4638 -22.8773 -22.8773 -15.3757 -15.3757 -15.1333 -15.1333 7.2433 7.2433 7.5726 7.5726 11.1182 11.1182 15.1335 15.1335 17.4794 17.4794 18.2290 18.2290 20.1436 20.1436 k = 0.4045 0.4563 0.4055 ( 1000 PWs) bands (ev): -48.4634 -48.4634 -22.8779 -22.8779 -15.3751 -15.3751 -15.1370 -15.1370 7.2302 7.2302 7.5949 7.5949 11.1319 11.1319 15.0277 15.0277 17.5123 17.5123 18.3168 18.3168 20.1280 20.1280 k = 0.4091 0.4614 0.3978 ( 1004 PWs) bands (ev): -48.4631 -48.4631 -22.8788 -22.8788 -15.3744 -15.3744 -15.1412 -15.1412 7.2117 7.2117 7.6238 7.6238 11.1458 11.1458 14.9257 14.9257 17.5486 17.5486 18.4022 18.4022 20.1088 20.1088 k = 0.4136 0.4665 0.3900 ( 1002 PWs) bands (ev): -48.4628 -48.4628 -22.8797 -22.8797 -15.3736 -15.3736 -15.1456 -15.1456 7.1888 7.1888 7.6586 7.6586 11.1596 11.1596 14.8283 14.8283 17.5881 17.5881 18.4850 18.4850 20.0861 20.0861 k = 0.4182 0.4717 0.3823 ( 1000 PWs) bands (ev): -48.4625 -48.4625 -22.8805 -22.8805 -15.3726 -15.3726 -15.1503 -15.1503 7.1625 7.1625 7.6980 7.6980 11.1729 11.1729 14.7364 14.7364 17.6309 17.6309 18.5647 18.5647 20.0596 20.0596 k = 0.4227 0.4768 0.3746 ( 998 PWs) bands (ev): -48.4622 -48.4622 -22.8814 -22.8814 -15.3715 -15.3715 -15.1551 -15.1551 7.1337 7.1337 7.7414 7.7414 11.1852 11.1852 14.6507 14.6507 17.6769 17.6769 18.6411 18.6411 20.0293 20.0293 k = 0.4273 0.4819 0.3668 ( 996 PWs) bands (ev): -48.4618 -48.4618 -22.8823 -22.8823 -15.3704 -15.3704 -15.1602 -15.1602 7.1029 7.1029 7.7880 7.7880 11.1958 11.1958 14.5722 14.5722 17.7259 17.7259 18.7139 18.7139 19.9951 19.9951 k = 0.4318 0.4870 0.3591 ( 996 PWs) bands (ev): -48.4615 -48.4615 -22.8833 -22.8833 -15.3692 -15.3692 -15.1654 -15.1654 7.0706 7.0706 7.8373 7.8373 11.2042 11.2042 14.5017 14.5017 17.7779 17.7779 18.7828 18.7828 19.9571 19.9571 k = 0.4364 0.4922 0.3514 ( 1000 PWs) bands (ev): -48.4611 -48.4611 -22.8844 -22.8844 -15.3680 -15.3680 -15.1708 -15.1708 7.0371 7.0371 7.8888 7.8888 11.2098 11.2098 14.4400 14.4400 17.8328 17.8328 18.8473 18.8473 19.9153 19.9153 k = 0.4409 0.4973 0.3437 ( 1000 PWs) bands (ev): -48.4608 -48.4608 -22.8854 -22.8854 -15.3667 -15.3667 -15.1761 -15.1761 7.0029 7.0029 7.9422 7.9422 11.2120 11.2120 14.3880 14.3880 17.8905 17.8905 18.9072 18.9072 19.8697 19.8697 k = 0.4455 0.5024 0.3359 ( 1006 PWs) bands (ev): -48.4604 -48.4604 -22.8866 -22.8866 -15.3655 -15.3655 -15.1817 -15.1817 6.9680 6.9680 7.9970 7.9970 11.2104 11.2104 14.3465 14.3465 17.9508 17.9508 18.9619 18.9619 19.8207 19.8207 k = 0.4500 0.5075 0.3282 ( 1002 PWs) bands (ev): -48.4601 -48.4601 -22.8875 -22.8875 -15.3642 -15.3642 -15.1869 -15.1869 6.9329 6.9329 8.0529 8.0529 11.2043 11.2043 14.3161 14.3161 18.0136 18.0136 19.0109 19.0109 19.7686 19.7686 k = 0.4545 0.5127 0.3205 ( 1003 PWs) bands (ev): -48.4597 -48.4597 -22.8885 -22.8885 -15.3630 -15.3630 -15.1922 -15.1922 6.8976 6.8976 8.1095 8.1095 11.1936 11.1936 14.2974 14.2974 18.0786 18.0786 19.0536 19.0536 19.7136 19.7136 k = 0.4591 0.5178 0.3128 ( 1003 PWs) bands (ev): -48.4594 -48.4594 -22.8895 -22.8895 -15.3619 -15.3619 -15.1972 -15.1972 6.8624 6.8624 8.1664 8.1664 11.1780 11.1780 14.2907 14.2907 18.1458 18.1458 19.0892 19.0892 19.6563 19.6563 k = 0.4636 0.5229 0.3050 ( 1002 PWs) bands (ev): -48.4590 -48.4590 -22.8905 -22.8905 -15.3609 -15.3609 -15.2020 -15.2020 6.8275 6.8275 8.2233 8.2233 11.1575 11.1575 14.2962 14.2962 18.2147 18.2147 19.1167 19.1167 19.5974 19.5974 k = 0.4682 0.5280 0.2973 ( 1003 PWs) bands (ev): -48.4587 -48.4587 -22.8915 -22.8915 -15.3602 -15.3602 -15.2066 -15.2066 6.7929 6.7929 8.2797 8.2797 11.1323 11.1323 14.3140 14.3140 18.2848 18.2848 19.1349 19.1349 19.5380 19.5380 k = 0.4727 0.5332 0.2896 ( 1001 PWs) bands (ev): -48.4584 -48.4584 -22.8924 -22.8924 -15.3595 -15.3595 -15.2108 -15.2108 6.7589 6.7589 8.3353 8.3353 11.1029 11.1029 14.3439 14.3439 18.3557 18.3557 19.1428 19.1428 19.4793 19.4793 k = 0.4773 0.5383 0.2818 ( 1003 PWs) bands (ev): -48.4581 -48.4581 -22.8933 -22.8933 -15.3592 -15.3592 -15.2146 -15.2146 6.7256 6.7256 8.3894 8.3894 11.0697 11.0697 14.3855 14.3855 18.4262 18.4262 19.1392 19.1392 19.4231 19.4231 k = 0.4818 0.5434 0.2741 ( 1003 PWs) bands (ev): -48.4578 -48.4578 -22.8942 -22.8942 -15.3591 -15.3591 -15.2180 -15.2180 6.6931 6.6931 8.4416 8.4416 11.0336 11.0336 14.4382 14.4382 18.4947 18.4947 19.1240 19.1240 19.3712 19.3712 k = 0.4864 0.5486 0.2664 ( 1001 PWs) bands (ev): -48.4575 -48.4575 -22.8949 -22.8949 -15.3592 -15.3592 -15.2208 -15.2208 6.6615 6.6615 8.4915 8.4915 10.9955 10.9955 14.5014 14.5014 18.5583 18.5583 19.0988 19.0988 19.3253 19.3253 k = 0.4909 0.5537 0.2587 ( 998 PWs) bands (ev): -48.4572 -48.4572 -22.8956 -22.8956 -15.3596 -15.3596 -15.2231 -15.2231 6.6309 6.6309 8.5383 8.5383 10.9562 10.9562 14.5743 14.5743 18.6116 18.6116 19.0685 19.0685 19.2868 19.2868 k = 0.4955 0.5588 0.2509 ( 998 PWs) bands (ev): -48.4569 -48.4569 -22.8964 -22.8964 -15.3602 -15.3602 -15.2250 -15.2250 6.6016 6.6016 8.5813 8.5813 10.9170 10.9170 14.6562 14.6562 18.6462 18.6462 19.0406 19.0406 19.2582 19.2582 k = 0.5000 0.5639 0.2432 ( 998 PWs) bands (ev): -48.4567 -48.4567 -22.8970 -22.8970 -15.3612 -15.3612 -15.2263 -15.2263 6.5735 6.5735 8.6198 8.6198 10.8789 10.8789 14.7460 14.7460 18.6523 18.6523 19.0208 19.0208 19.2452 19.2452 k = 0.5000 0.5639 0.2432 ( 998 PWs) bands (ev): -48.4567 -48.4567 -22.8970 -22.8970 -15.3612 -15.3612 -15.2263 -15.2263 6.5735 6.5735 8.6198 8.6198 10.8789 10.8789 14.7460 14.7460 18.6523 18.6523 19.0208 19.0208 19.2452 19.2452 k = 0.5000 0.5639 0.2331 ( 998 PWs) bands (ev): -48.4564 -48.4564 -22.8978 -22.8978 -15.3627 -15.3627 -15.2275 -15.2275 6.5380 6.5380 8.6667 8.6667 10.8292 10.8292 14.8729 14.8729 18.6388 18.6388 18.9974 18.9974 19.2447 19.2447 k = 0.5000 0.5639 0.2229 ( 994 PWs) bands (ev): -48.4561 -48.4561 -22.8985 -22.8985 -15.3646 -15.3646 -15.2282 -15.2282 6.5036 6.5036 8.7127 8.7127 10.7777 10.7777 15.0081 15.0081 18.6250 18.6250 18.9710 18.9710 19.2470 19.2470 k = 0.5000 0.5639 0.2128 ( 996 PWs) bands (ev): -48.4558 -48.4558 -22.8993 -22.8993 -15.3668 -15.3668 -15.2286 -15.2286 6.4703 6.4703 8.7578 8.7578 10.7253 10.7253 15.1504 15.1504 18.6109 18.6109 18.9434 18.9434 19.2506 19.2506 k = 0.5000 0.5639 0.2027 ( 1000 PWs) bands (ev): -48.4555 -48.4555 -22.9002 -22.9002 -15.3692 -15.3692 -15.2288 -15.2288 6.4381 6.4381 8.8017 8.8017 10.6727 10.6727 15.2992 15.2992 18.5966 18.5966 18.9158 18.9158 19.2542 19.2542 k = 0.5000 0.5639 0.1925 ( 996 PWs) bands (ev): -48.4552 -48.4552 -22.9008 -22.9008 -15.3718 -15.3718 -15.2284 -15.2284 6.4072 6.4072 8.8445 8.8445 10.6203 10.6203 15.4539 15.4539 18.5821 18.5821 18.8888 18.8888 19.2572 19.2572 k = 0.5000 0.5639 0.1824 ( 996 PWs) bands (ev): -48.4550 -48.4550 -22.9015 -22.9015 -15.3745 -15.3745 -15.2280 -15.2280 6.3775 6.3775 8.8859 8.8859 10.5686 10.5686 15.6135 15.6135 18.5675 18.5675 18.8630 18.8630 19.2592 19.2592 k = 0.5000 0.5639 0.1723 ( 996 PWs) bands (ev): -48.4547 -48.4547 -22.9022 -22.9022 -15.3773 -15.3773 -15.2273 -15.2273 6.3491 6.3491 8.9259 8.9259 10.5181 10.5181 15.7776 15.7776 18.5529 18.5529 18.8385 18.8385 19.2599 19.2599 k = 0.5000 0.5639 0.1621 ( 992 PWs) bands (ev): -48.4545 -48.4545 -22.9028 -22.9028 -15.3800 -15.3800 -15.2264 -15.2264 6.3221 6.3221 8.9644 8.9644 10.4691 10.4691 15.9455 15.9455 18.5383 18.5383 18.8156 18.8156 19.2590 19.2590 k = 0.5000 0.5639 0.1520 ( 996 PWs) bands (ev): -48.4543 -48.4543 -22.9035 -22.9035 -15.3829 -15.3829 -15.2256 -15.2256 6.2966 6.2966 9.0011 9.0011 10.4220 10.4220 16.1166 16.1166 18.5239 18.5239 18.7943 18.7943 19.2565 19.2565 k = 0.5000 0.5639 0.1419 ( 1000 PWs) bands (ev): -48.4541 -48.4541 -22.9042 -22.9042 -15.3858 -15.3858 -15.2246 -15.2246 6.2724 6.2724 9.0360 9.0360 10.3769 10.3769 16.2902 16.2902 18.5096 18.5096 18.7748 18.7748 19.2520 19.2520 k = 0.5000 0.5639 0.1317 ( 1004 PWs) bands (ev): -48.4539 -48.4539 -22.9048 -22.9048 -15.3886 -15.3886 -15.2235 -15.2235 6.2498 6.2498 9.0691 9.0691 10.3342 10.3342 16.4658 16.4658 18.4956 18.4956 18.7570 18.7570 19.2455 19.2455 k = 0.5000 0.5639 0.1216 ( 1006 PWs) bands (ev): -48.4537 -48.4537 -22.9054 -22.9054 -15.3913 -15.3913 -15.2224 -15.2224 6.2287 6.2287 9.1002 9.1002 10.2940 10.2940 16.6427 16.6427 18.4821 18.4821 18.7410 18.7410 19.2367 19.2367 k = 0.5000 0.5639 0.1115 ( 1006 PWs) bands (ev): -48.4535 -48.4535 -22.9059 -22.9059 -15.3938 -15.3938 -15.2213 -15.2213 6.2091 6.2091 9.1292 9.1292 10.2564 10.2564 16.8200 16.8200 18.4692 18.4692 18.7267 18.7267 19.2252 19.2252 k = 0.5000 0.5639 0.1013 ( 1006 PWs) bands (ev): -48.4534 -48.4534 -22.9063 -22.9063 -15.3961 -15.3961 -15.2202 -15.2202 6.1912 6.1912 9.1560 9.1560 10.2217 10.2217 16.9970 16.9970 18.4569 18.4569 18.7141 18.7141 19.2107 19.2107 k = 0.5000 0.5639 0.0912 ( 1014 PWs) bands (ev): -48.4533 -48.4533 -22.9069 -22.9069 -15.3984 -15.3984 -15.2194 -15.2194 6.1748 6.1748 9.1806 9.1806 10.1900 10.1900 17.1726 17.1726 18.4454 18.4454 18.7033 18.7033 19.1926 19.1926 k = 0.5000 0.5639 0.0811 ( 1014 PWs) bands (ev): -48.4531 -48.4531 -22.9073 -22.9073 -15.4005 -15.4005 -15.2184 -15.2184 6.1601 6.1601 9.2029 9.2029 10.1613 10.1613 17.3457 17.3457 18.4348 18.4348 18.6942 18.6942 19.1704 19.1704 k = 0.5000 0.5639 0.0709 ( 1014 PWs) bands (ev): -48.4530 -48.4530 -22.9076 -22.9076 -15.4023 -15.4023 -15.2175 -15.2175 6.1471 6.1471 9.2227 9.2227 10.1358 10.1358 17.5147 17.5147 18.4253 18.4253 18.6871 18.6871 19.1433 19.1433 k = 0.5000 0.5639 0.0608 ( 1016 PWs) bands (ev): -48.4529 -48.4529 -22.9079 -22.9079 -15.4039 -15.4039 -15.2167 -15.2167 6.1358 6.1358 9.2400 9.2400 10.1135 10.1135 17.6780 17.6780 18.4168 18.4168 18.6821 18.6821 19.1104 19.1104 k = 0.5000 0.5639 0.0507 ( 1020 PWs) bands (ev): -48.4528 -48.4528 -22.9083 -22.9083 -15.4054 -15.4054 -15.2161 -15.2161 6.1262 6.1262 9.2548 9.2548 10.0945 10.0945 17.8330 17.8330 18.4095 18.4095 18.6797 18.6797 19.0711 19.0711 k = 0.5000 0.5639 0.0405 ( 1020 PWs) bands (ev): -48.4528 -48.4528 -22.9085 -22.9085 -15.4065 -15.4065 -15.2155 -15.2155 6.1183 6.1183 9.2670 9.2670 10.0789 10.0789 17.9765 17.9765 18.4035 18.4035 18.6808 18.6808 19.0249 19.0249 k = 0.5000 0.5639 0.0304 ( 1014 PWs) bands (ev): -48.4527 -48.4527 -22.9085 -22.9085 -15.4073 -15.4073 -15.2149 -15.2149 6.1122 6.1122 9.2765 9.2765 10.0667 10.0667 18.1034 18.1034 18.3989 18.3989 18.6872 18.6872 18.9720 18.9720 k = 0.5000 0.5639 0.0203 ( 1014 PWs) bands (ev): -48.4526 -48.4526 -22.9086 -22.9086 -15.4080 -15.4080 -15.2146 -15.2146 6.1078 6.1078 9.2834 9.2834 10.0580 10.0580 18.2064 18.2064 18.3958 18.3958 18.7017 18.7017 18.9142 18.9142 k = 0.5000 0.5639 0.0101 ( 1014 PWs) bands (ev): -48.4526 -48.4526 -22.9087 -22.9087 -15.4083 -15.4083 -15.2144 -15.2144 6.1051 6.1051 9.2875 9.2875 10.0528 10.0528 18.2749 18.2749 18.3942 18.3942 18.7260 18.7260 18.8578 18.8578 k = 0.5000 0.5639-0.0000 ( 1010 PWs) bands (ev): -48.4526 -48.4526 -22.9086 -22.9086 -15.4084 -15.4084 -15.2142 -15.2142 6.1043 6.1043 9.2889 9.2889 10.0510 10.0510 18.2990 18.2990 18.3939 18.3939 18.7457 18.7457 18.8262 18.8262 k = 0.0000 0.0000 0.6682 ( 986 PWs) bands (ev): -48.4666 -48.4666 -22.8707 -22.8707 -15.4214 -15.4214 -15.0546 -15.0546 7.1572 7.1572 7.9414 7.9414 9.7246 9.7246 17.7578 17.7578 18.0187 18.0187 19.1814 19.1814 19.8515 19.8515 k = 0.0068 0.0076 0.6682 ( 986 PWs) bands (ev): -48.4666 -48.4666 -22.8707 -22.8707 -15.4213 -15.4213 -15.0548 -15.0548 7.1574 7.1574 7.9410 7.9410 9.7266 9.7266 17.7576 17.7576 18.0181 18.0181 19.1817 19.1817 19.8498 19.8498 k = 0.0135 0.0152 0.6682 ( 982 PWs) bands (ev): -48.4666 -48.4666 -22.8706 -22.8706 -15.4209 -15.4209 -15.0552 -15.0552 7.1579 7.1579 7.9399 7.9399 9.7327 9.7327 17.7571 17.7571 18.0162 18.0162 19.1828 19.1828 19.8443 19.8443 k = 0.0203 0.0229 0.6682 ( 990 PWs) bands (ev): -48.4666 -48.4666 -22.8708 -22.8708 -15.4204 -15.4204 -15.0561 -15.0561 7.1588 7.1588 7.9380 7.9380 9.7428 9.7428 17.7562 17.7562 18.0128 18.0128 19.1844 19.1844 19.8329 19.8329 k = 0.0270 0.0305 0.6682 ( 988 PWs) bands (ev): -48.4666 -48.4666 -22.8708 -22.8708 -15.4196 -15.4196 -15.0572 -15.0572 7.1601 7.1601 7.9354 7.9354 9.7569 9.7569 17.7547 17.7547 18.0079 18.0079 19.1864 19.1864 19.8118 19.8118 k = 0.0338 0.0381 0.6682 ( 988 PWs) bands (ev): -48.4666 -48.4666 -22.8708 -22.8708 -15.4185 -15.4185 -15.0586 -15.0586 7.1617 7.1617 7.9321 7.9321 9.7749 9.7749 17.7526 17.7526 18.0010 18.0010 19.1882 19.1882 19.7743 19.7743 k = 0.0405 0.0457 0.6682 ( 994 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.4173 -15.4173 -15.0605 -15.0605 7.1637 7.1637 7.9281 7.9281 9.7970 9.7970 17.7494 17.7494 17.9918 17.9918 19.1891 19.1891 19.7125 19.7125 k = 0.0473 0.0533 0.6682 ( 994 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.4157 -15.4157 -15.0626 -15.0626 7.1660 7.1660 7.9235 7.9235 9.8229 9.8229 17.7447 17.7447 17.9799 17.9799 19.1871 19.1871 19.6252 19.6252 k = 0.0541 0.0610 0.6682 ( 990 PWs) bands (ev): -48.4666 -48.4666 -22.8708 -22.8708 -15.4139 -15.4139 -15.0648 -15.0648 7.1687 7.1687 7.9182 7.9182 9.8527 9.8527 17.7377 17.7377 17.9648 17.9648 19.1780 19.1780 19.5238 19.5238 k = 0.0608 0.0686 0.6682 ( 994 PWs) bands (ev): -48.4666 -48.4666 -22.8709 -22.8709 -15.4120 -15.4120 -15.0676 -15.0676 7.1717 7.1717 7.9123 7.9123 9.8862 9.8862 17.7268 17.7268 17.9464 17.9464 19.1517 19.1517 19.4301 19.4301 k = 0.0676 0.0762 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.4099 -15.4099 -15.0707 -15.0707 7.1749 7.1749 7.9058 7.9058 9.9235 9.9235 17.7095 17.7095 17.9251 17.9251 19.0944 19.0944 19.3677 19.3677 k = 0.0743 0.0838 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.4074 -15.4074 -15.0739 -15.0739 7.1786 7.1786 7.8988 7.8988 9.9643 9.9643 17.6819 17.6819 17.9025 17.9025 19.0091 19.0091 19.3410 19.3410 k = 0.0811 0.0914 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.4048 -15.4048 -15.0773 -15.0773 7.1825 7.1825 7.8913 7.8913 10.0087 10.0087 17.6391 17.6391 17.8814 17.8814 18.9152 18.9152 19.3353 19.3353 k = 0.0878 0.0991 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.4019 -15.4019 -15.0811 -15.0811 7.1868 7.1868 7.8832 7.8832 10.0565 10.0565 17.5767 17.5767 17.8643 17.8643 18.8270 18.8270 19.3398 19.3398 k = 0.0946 0.1067 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.3988 -15.3988 -15.0850 -15.0850 7.1914 7.1914 7.8747 7.8747 10.1076 10.1076 17.4936 17.4936 17.8518 17.8518 18.7507 18.7507 19.3497 19.3497 k = 0.1014 0.1143 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.3956 -15.3956 -15.0892 -15.0892 7.1962 7.1962 7.8658 7.8658 10.1618 10.1618 17.3913 17.3913 17.8433 17.8433 18.6885 18.6885 19.3630 19.3630 k = 0.1081 0.1219 0.6682 ( 1002 PWs) bands (ev): -48.4666 -48.4666 -22.8712 -22.8712 -15.3921 -15.3921 -15.0935 -15.0935 7.2013 7.2013 7.8566 7.8566 10.2190 10.2190 17.2731 17.2731 17.8376 17.8376 18.6395 18.6395 19.3787 19.3787 k = 0.1149 0.1296 0.6682 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8713 -22.8713 -15.3886 -15.3886 -15.0982 -15.0982 7.2067 7.2067 7.8470 7.8470 10.2790 10.2790 17.1426 17.1426 17.8340 17.8340 18.6023 18.6023 19.3962 19.3962 k = 0.1216 0.1372 0.6682 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8713 -22.8713 -15.3848 -15.3848 -15.1030 -15.1030 7.2122 7.2122 7.8372 7.8372 10.3416 10.3416 17.0031 17.0031 17.8317 17.8317 18.5745 18.5745 19.4154 19.4154 k = 0.1284 0.1448 0.6682 ( 1006 PWs) bands (ev): -48.4666 -48.4666 -22.8713 -22.8713 -15.3809 -15.3809 -15.1078 -15.1078 7.2180 7.2180 7.8272 7.8272 10.4065 10.4065 16.8578 16.8578 17.8303 17.8303 18.5542 18.5542 19.4358 19.4358 k = 0.1351 0.1524 0.6682 ( 1010 PWs) bands (ev): -48.4666 -48.4666 -22.8714 -22.8714 -15.3769 -15.3769 -15.1129 -15.1129 7.2240 7.2240 7.8170 7.8170 10.4736 10.4736 16.7090 16.7090 17.8295 17.8295 18.5397 18.5397 19.4575 19.4575 k = 0.1419 0.1600 0.6682 ( 1010 PWs) bands (ev): -48.4666 -48.4666 -22.8714 -22.8714 -15.3727 -15.3727 -15.1181 -15.1181 7.2301 7.2301 7.8067 7.8067 10.5423 10.5423 16.5588 16.5588 17.8293 17.8293 18.5297 18.5297 19.4803 19.4803 k = 0.1486 0.1677 0.6682 ( 1010 PWs) bands (ev): -48.4666 -48.4666 -22.8714 -22.8714 -15.3685 -15.3685 -15.1233 -15.1233 7.2363 7.2363 7.7965 7.7965 10.6125 10.6125 16.4088 16.4088 17.8294 17.8294 18.5231 18.5231 19.5040 19.5040 k = 0.1554 0.1753 0.6682 ( 1010 PWs) bands (ev): -48.4665 -48.4665 -22.8714 -22.8714 -15.3641 -15.3641 -15.1285 -15.1285 7.2426 7.2426 7.7863 7.7863 10.6837 10.6837 16.2605 16.2605 17.8297 17.8297 18.5192 18.5192 19.5287 19.5287 k = 0.1622 0.1829 0.6682 ( 1004 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.3597 -15.3597 -15.1336 -15.1336 7.2489 7.2489 7.7762 7.7762 10.7555 10.7555 16.1150 16.1150 17.8302 17.8302 18.5172 18.5172 19.5541 19.5541 k = 0.1689 0.1905 0.6682 ( 1004 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.3553 -15.3553 -15.1389 -15.1389 7.2551 7.2551 7.7663 7.7663 10.8272 10.8272 15.9735 15.9735 17.8308 17.8308 18.5167 18.5167 19.5803 19.5803 k = 0.1757 0.1981 0.6682 ( 1002 PWs) bands (ev): -48.4665 -48.4665 -22.8711 -22.8711 -15.3508 -15.3508 -15.1440 -15.1440 7.2613 7.2613 7.7566 7.7566 10.8983 10.8983 15.8370 15.8370 17.8314 17.8314 18.5172 18.5172 19.6070 19.6070 k = 0.1824 0.2058 0.6682 ( 1004 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.3465 -15.3465 -15.1492 -15.1492 7.2674 7.2674 7.7474 7.7474 10.9682 10.9682 15.7066 15.7066 17.8321 17.8321 18.5186 18.5186 19.6343 19.6343 k = 0.1892 0.2134 0.6682 ( 1004 PWs) bands (ev): -48.4665 -48.4665 -22.8712 -22.8712 -15.3423 -15.3423 -15.1541 -15.1541 7.2732 7.2732 7.7386 7.7386 11.0359 11.0359 15.5834 15.5834 17.8328 17.8328 18.5204 18.5204 19.6620 19.6620 k = 0.1959 0.2210 0.6682 ( 1012 PWs) bands (ev): -48.4665 -48.4665 -22.8714 -22.8714 -15.3383 -15.3383 -15.1590 -15.1590 7.2787 7.2787 7.7303 7.7303 11.1008 11.1008 15.4685 15.4685 17.8335 17.8335 18.5225 18.5225 19.6899 19.6899 k = 0.2027 0.2286 0.6682 ( 1008 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3344 -15.3344 -15.1634 -15.1634 7.2839 7.2839 7.7227 7.7227 11.1617 11.1617 15.3631 15.3631 17.8341 17.8341 18.5247 18.5247 19.7181 19.7181 k = 0.2095 0.2362 0.6682 ( 1008 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3308 -15.3308 -15.1675 -15.1675 7.2885 7.2885 7.7159 7.7159 11.2176 11.2176 15.2682 15.2682 17.8347 17.8347 18.5269 18.5269 19.7462 19.7462 k = 0.2162 0.2439 0.6682 ( 1008 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3276 -15.3276 -15.1712 -15.1712 7.2927 7.2927 7.7099 7.7099 11.2676 11.2676 15.1852 15.1852 17.8352 17.8352 18.5290 18.5290 19.7741 19.7741 k = 0.2230 0.2515 0.6682 ( 1008 PWs) bands (ev): -48.4665 -48.4665 -22.8713 -22.8713 -15.3248 -15.3248 -15.1743 -15.1743 7.2962 7.2962 7.7048 7.7048 11.3103 11.3103 15.1152 15.1152 17.8357 17.8357 18.5308 18.5308 19.8016 19.8016 k = 0.2297 0.2591 0.6682 ( 1012 PWs) bands (ev): -48.4665 -48.4665 -22.8714 -22.8714 -15.3225 -15.3225 -15.1770 -15.1770 7.2990 7.2990 7.7007 7.7007 11.3449 11.3449 15.0594 15.0594 17.8360 17.8360 18.5322 18.5322 19.8282 19.8282 k = 0.2365 0.2667 0.6682 ( 1012 PWs) bands (ev): -48.4665 -48.4665 -22.8714 -22.8714 -15.3208 -15.3208 -15.1789 -15.1789 7.3011 7.3011 7.6978 7.6978 11.3704 11.3704 15.0188 15.0188 17.8363 17.8363 18.5333 18.5333 19.8529 19.8529 k = 0.2432 0.2743 0.6682 ( 1016 PWs) bands (ev): -48.4665 -48.4665 -22.8715 -22.8715 -15.3198 -15.3198 -15.1801 -15.1801 7.3023 7.3023 7.6960 7.6960 11.3860 11.3860 14.9940 14.9940 17.8364 17.8364 18.5340 18.5340 19.8734 19.8734 k = 0.2500 0.2820 0.6682 ( 1020 PWs) bands (ev): -48.4665 -48.4665 -22.8716 -22.8716 -15.3195 -15.3195 -15.1807 -15.1807 7.3027 7.3027 7.6954 7.6954 11.3912 11.3912 14.9858 14.9858 17.8365 17.8365 18.5342 18.5342 19.8827 19.8828 Writing output data file HfH2.save init_run : 2.84s CPU 2.96s WALL ( 1 calls) electrons : 33.83s CPU 34.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 33.82s CPU 34.80s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 506 calls) cegterg : 31.09s CPU 31.68s WALL ( 525 calls) Called by sum_band: Called by *egterg: h_psi : 14.32s CPU 14.66s WALL ( 7534 calls) s_psi : 0.49s CPU 0.43s WALL ( 7534 calls) g_psi : 0.03s CPU 0.03s WALL ( 6503 calls) cdiaghg : 15.87s CPU 16.27s WALL ( 7009 calls) cegterg:over : 0.88s CPU 0.96s WALL ( 6503 calls) cegterg:upda : 0.61s CPU 0.70s WALL ( 6503 calls) cegterg:last : 0.40s CPU 0.41s WALL ( 1387 calls) cdiaghg:chol : 0.85s CPU 0.86s WALL ( 7009 calls) cdiaghg:inve : 0.13s CPU 0.17s WALL ( 7009 calls) cdiaghg:para : 1.10s CPU 1.16s WALL ( 14018 calls) Called by h_psi: h_psi:vloc : 13.33s CPU 13.55s WALL ( 7534 calls) h_psi:vnl : 0.98s CPU 1.09s WALL ( 7534 calls) add_vuspsi : 0.47s CPU 0.56s WALL ( 7534 calls) General routines calbec : 0.49s CPU 0.51s WALL ( 7534 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.72s CPU 12.88s WALL ( 383636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.09s WALL ( 1012 calls) Parallel routines fft_scatter : 7.20s CPU 7.25s WALL ( 383659 calls) PWSCF : 0m44.70s CPU 1m10.75s WALL This run was terminated on: 18:54:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=