Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:27 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: ./Si.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 9 9 3 139 139 25 Max 10 10 4 142 142 28 Sum 349 349 109 5067 5067 957 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 5.7376 a.u. unit-cell volume = 129.6313 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 4.00 number of Kohn-Sham states= 12 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 176.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.737644 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.171573 celldm(5)= -0.171573 celldm(6)= -0.656853 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.656853 0.754019 0.000000 ) a(3) = ( -0.171573 -0.377009 0.910179 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.871137 0.549342 ) b(2) = ( 0.000000 1.326227 0.549342 ) b(3) = ( 0.000000 0.000000 1.098684 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 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= 545 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 2) = ( 0.0000000 0.0000000 0.0096376), wk = 0.0018349 k( 3) = ( 0.0000000 0.0000000 0.0192752), wk = 0.0018349 k( 4) = ( 0.0000000 0.0000000 0.0289128), wk = 0.0018349 k( 5) = ( 0.0000000 0.0000000 0.0385503), wk = 0.0018349 k( 6) = ( 0.0000000 0.0000000 0.0481879), wk = 0.0018349 k( 7) = ( 0.0000000 0.0000000 0.0578255), wk = 0.0018349 k( 8) = ( 0.0000000 0.0000000 0.0674631), wk = 0.0018349 k( 9) = ( 0.0000000 0.0000000 0.0771007), wk = 0.0018349 k( 10) = ( 0.0000000 0.0000000 0.0867383), wk = 0.0018349 k( 11) = ( 0.0000000 0.0000000 0.0963758), wk = 0.0018349 k( 12) = ( 0.0000000 0.0000000 0.1060134), wk = 0.0018349 k( 13) = ( 0.0000000 0.0000000 0.1156510), wk = 0.0018349 k( 14) = ( 0.0000000 0.0000000 0.1252886), wk = 0.0018349 k( 15) = ( 0.0000000 0.0000000 0.1349262), wk = 0.0018349 k( 16) = ( 0.0000000 0.0000000 0.1445638), wk = 0.0018349 k( 17) = ( 0.0000000 0.0000000 0.1542013), wk = 0.0018349 k( 18) = ( 0.0000000 0.0000000 0.1638389), wk = 0.0018349 k( 19) = ( 0.0000000 0.0000000 0.1734765), wk = 0.0018349 k( 20) = ( 0.0000000 0.0000000 0.1831141), wk = 0.0018349 k( 21) = ( 0.0000000 0.0000000 0.1927517), wk = 0.0018349 k( 22) = ( 0.0000000 0.0000000 0.2023893), wk = 0.0018349 k( 23) = ( 0.0000000 0.0000000 0.2120268), wk = 0.0018349 k( 24) = ( 0.0000000 0.0000000 0.2216644), wk = 0.0018349 k( 25) = ( 0.0000000 0.0000000 0.2313020), wk = 0.0018349 k( 26) = ( 0.0000000 0.0000000 0.2409396), wk = 0.0018349 k( 27) = ( 0.0000000 0.0000000 0.2505772), wk = 0.0018349 k( 28) = ( 0.0000000 0.0000000 0.2602148), wk = 0.0018349 k( 29) = ( 0.0000000 0.0000000 0.2698523), wk = 0.0018349 k( 30) = ( 0.0000000 0.0000000 0.2794899), wk = 0.0018349 k( 31) = ( 0.0000000 0.0000000 0.2891275), wk = 0.0018349 k( 32) = ( 0.0000000 0.0000000 0.2987651), wk = 0.0018349 k( 33) = ( 0.0000000 0.0000000 0.3084027), wk = 0.0018349 k( 34) = ( 0.0000000 0.0000000 0.3180402), wk = 0.0018349 k( 35) = ( 0.0000000 0.0000000 0.3276778), wk = 0.0018349 k( 36) = ( 0.0000000 0.0000000 0.3373154), wk = 0.0018349 k( 37) = ( 0.0000000 0.0000000 0.3469530), wk = 0.0018349 k( 38) = ( 0.0000000 0.0000000 0.3565906), wk = 0.0018349 k( 39) = ( 0.0000000 0.0000000 0.3662282), wk = 0.0018349 k( 40) = ( 0.0000000 0.0000000 0.3758657), wk = 0.0018349 k( 41) = ( 0.0000000 0.0000000 0.3855033), wk = 0.0018349 k( 42) = ( 0.0000000 0.0000000 0.3951409), wk = 0.0018349 k( 43) = ( 0.0000000 0.0000000 0.4047785), wk = 0.0018349 k( 44) = ( 0.0000000 0.0000000 0.4144161), wk = 0.0018349 k( 45) = ( 0.0000000 0.0000000 0.4240537), wk = 0.0018349 k( 46) = ( 0.0000000 0.0000000 0.4336912), wk = 0.0018349 k( 47) = ( 0.0000000 0.0000000 0.4433288), wk = 0.0018349 k( 48) = ( 0.0000000 0.0000000 0.4529664), wk = 0.0018349 k( 49) = ( 0.0000000 0.0000000 0.4626040), wk = 0.0018349 k( 50) = ( 0.0000000 0.0000000 0.4722416), wk = 0.0018349 k( 51) = ( 0.0000000 0.0000000 0.4818792), wk = 0.0018349 k( 52) = ( 0.0000000 0.0000000 0.4915167), wk = 0.0018349 k( 53) = ( 0.0000000 0.0000000 0.5011543), wk = 0.0018349 k( 54) = ( 0.0000000 0.0000000 0.5107919), wk = 0.0018349 k( 55) = ( 0.0000000 0.0000000 0.5204295), wk = 0.0018349 k( 56) = ( 0.0000000 0.0000000 0.5300671), wk = 0.0018349 k( 57) = ( 0.0000000 0.0000000 0.5397047), wk = 0.0018349 k( 58) = ( 0.0000000 0.0000000 0.5493422), wk = 0.0018349 k( 59) = ( 0.0000000 0.0000000 0.5493422), wk = 0.0018349 k( 60) = ( -0.0087719 0.0039920 0.5493422), wk = 0.0018349 k( 61) = ( -0.0175439 0.0079840 0.5493422), wk = 0.0018349 k( 62) = ( -0.0263158 0.0119761 0.5493422), wk = 0.0018349 k( 63) = ( -0.0350877 0.0159681 0.5493422), wk = 0.0018349 k( 64) = ( -0.0438597 0.0199601 0.5493422), wk = 0.0018349 k( 65) = ( -0.0526316 0.0239521 0.5493422), wk = 0.0018349 k( 66) = ( -0.0614035 0.0279442 0.5493422), wk = 0.0018349 k( 67) = ( -0.0701754 0.0319362 0.5493422), wk = 0.0018349 k( 68) = ( -0.0789474 0.0359282 0.5493422), wk = 0.0018349 k( 69) = ( -0.0877193 0.0399202 0.5493422), wk = 0.0018349 k( 70) = ( -0.0964912 0.0439123 0.5493422), wk = 0.0018349 k( 71) = ( -0.1052632 0.0479043 0.5493422), wk = 0.0018349 k( 72) = ( -0.1140351 0.0518963 0.5493422), wk = 0.0018349 k( 73) = ( -0.1228070 0.0558883 0.5493422), wk = 0.0018349 k( 74) = ( -0.1315790 0.0598804 0.5493422), wk = 0.0018349 k( 75) = ( -0.1403509 0.0638724 0.5493422), wk = 0.0018349 k( 76) = ( -0.1491228 0.0678644 0.5493422), wk = 0.0018349 k( 77) = ( -0.1578947 0.0718564 0.5493422), wk = 0.0018349 k( 78) = ( -0.1666667 0.0758485 0.5493422), wk = 0.0018349 k( 79) = ( -0.1754386 0.0798405 0.5493422), wk = 0.0018349 k( 80) = ( -0.1842105 0.0838325 0.5493422), wk = 0.0018349 k( 81) = ( -0.1929825 0.0878245 0.5493422), wk = 0.0018349 k( 82) = ( -0.2017544 0.0918166 0.5493422), wk = 0.0018349 k( 83) = ( -0.2105263 0.0958086 0.5493422), wk = 0.0018349 k( 84) = ( -0.2192983 0.0998006 0.5493422), wk = 0.0018349 k( 85) = ( -0.2280702 0.1037926 0.5493422), wk = 0.0018349 k( 86) = ( -0.2368421 0.1077847 0.5493422), wk = 0.0018349 k( 87) = ( -0.2456140 0.1117767 0.5493422), wk = 0.0018349 k( 88) = ( -0.2543860 0.1157687 0.5493422), wk = 0.0018349 k( 89) = ( -0.2631579 0.1197607 0.5493422), wk = 0.0018349 k( 90) = ( -0.2719298 0.1237527 0.5493422), wk = 0.0018349 k( 91) = ( -0.2807018 0.1277448 0.5493422), wk = 0.0018349 k( 92) = ( -0.2894737 0.1317368 0.5493422), wk = 0.0018349 k( 93) = ( -0.2982456 0.1357288 0.5493422), wk = 0.0018349 k( 94) = ( -0.3070175 0.1397208 0.5493422), wk = 0.0018349 k( 95) = ( -0.3157895 0.1437129 0.5493422), wk = 0.0018349 k( 96) = ( -0.3245614 0.1477049 0.5493422), wk = 0.0018349 k( 97) = ( -0.3333333 0.1516969 0.5493422), wk = 0.0018349 k( 98) = ( -0.3421053 0.1556889 0.5493422), wk = 0.0018349 k( 99) = ( -0.3508772 0.1596810 0.5493422), wk = 0.0018349 k( 100) = ( -0.3596491 0.1636730 0.5493422), wk = 0.0018349 k( 101) = ( -0.3684211 0.1676650 0.5493422), wk = 0.0018349 k( 102) = ( -0.3771930 0.1716570 0.5493422), wk = 0.0018349 k( 103) = ( -0.3859649 0.1756491 0.5493422), wk = 0.0018349 k( 104) = ( -0.3947368 0.1796411 0.5493422), wk = 0.0018349 k( 105) = ( -0.4035088 0.1836331 0.5493422), wk = 0.0018349 k( 106) = ( -0.4122807 0.1876251 0.5493422), wk = 0.0018349 k( 107) = ( -0.4210526 0.1916172 0.5493422), wk = 0.0018349 k( 108) = ( -0.4298246 0.1956092 0.5493422), wk = 0.0018349 k( 109) = ( -0.4385965 0.1996012 0.5493422), wk = 0.0018349 k( 110) = ( -0.4473684 0.2035932 0.5493422), wk = 0.0018349 k( 111) = ( -0.4561404 0.2075853 0.5493422), wk = 0.0018349 k( 112) = ( -0.4649123 0.2115773 0.5493422), wk = 0.0018349 k( 113) = ( -0.4736842 0.2155693 0.5493422), wk = 0.0018349 k( 114) = ( -0.4824561 0.2195613 0.5493422), wk = 0.0018349 k( 115) = ( -0.4912281 0.2235534 0.5493422), wk = 0.0018349 k( 116) = ( -0.5000000 0.2275454 0.5493422), wk = 0.0018349 k( 117) = ( -0.5000000 0.2275454 0.5493422), wk = 0.0018349 k( 118) = ( -0.4938272 0.2247362 0.5425602), wk = 0.0018349 k( 119) = ( -0.4876543 0.2219270 0.5357782), wk = 0.0018349 k( 120) = ( -0.4814815 0.2191178 0.5289962), wk = 0.0018349 k( 121) = ( -0.4753086 0.2163086 0.5222142), wk = 0.0018349 k( 122) = ( -0.4691358 0.2134994 0.5154322), wk = 0.0018349 k( 123) = ( -0.4629630 0.2106902 0.5086502), wk = 0.0018349 k( 124) = ( -0.4567901 0.2078810 0.5018682), wk = 0.0018349 k( 125) = ( -0.4506173 0.2050718 0.4950862), wk = 0.0018349 k( 126) = ( -0.4444444 0.2022626 0.4883042), wk = 0.0018349 k( 127) = ( -0.4382716 0.1994534 0.4815222), wk = 0.0018349 k( 128) = ( -0.4320988 0.1966442 0.4747402), wk = 0.0018349 k( 129) = ( -0.4259259 0.1938350 0.4679582), wk = 0.0018349 k( 130) = ( -0.4197531 0.1910258 0.4611762), wk = 0.0018349 k( 131) = ( -0.4135802 0.1882165 0.4543942), wk = 0.0018349 k( 132) = ( -0.4074074 0.1854073 0.4476122), wk = 0.0018349 k( 133) = ( -0.4012346 0.1825981 0.4408302), wk = 0.0018349 k( 134) = ( -0.3950617 0.1797889 0.4340482), wk = 0.0018349 k( 135) = ( -0.3888889 0.1769797 0.4272662), wk = 0.0018349 k( 136) = ( -0.3827160 0.1741705 0.4204842), wk = 0.0018349 k( 137) = ( -0.3765432 0.1713613 0.4137022), wk = 0.0018349 k( 138) = ( -0.3703704 0.1685521 0.4069202), wk = 0.0018349 k( 139) = ( -0.3641975 0.1657429 0.4001382), wk = 0.0018349 k( 140) = ( -0.3580247 0.1629337 0.3933562), wk = 0.0018349 k( 141) = ( -0.3518519 0.1601245 0.3865742), wk = 0.0018349 k( 142) = ( -0.3456790 0.1573153 0.3797922), wk = 0.0018349 k( 143) = ( -0.3395062 0.1545061 0.3730102), wk = 0.0018349 k( 144) = ( -0.3333333 0.1516969 0.3662282), wk = 0.0018349 k( 145) = ( -0.3271605 0.1488877 0.3594462), wk = 0.0018349 k( 146) = ( -0.3209877 0.1460785 0.3526642), wk = 0.0018349 k( 147) = ( -0.3148148 0.1432693 0.3458821), wk = 0.0018349 k( 148) = ( -0.3086420 0.1404601 0.3391002), wk = 0.0018349 k( 149) = ( -0.3024691 0.1376509 0.3323182), wk = 0.0018349 k( 150) = ( -0.2962963 0.1348417 0.3255361), wk = 0.0018349 k( 151) = ( -0.2901235 0.1320325 0.3187541), wk = 0.0018349 k( 152) = ( -0.2839506 0.1292233 0.3119721), wk = 0.0018349 k( 153) = ( -0.2777778 0.1264141 0.3051901), wk = 0.0018349 k( 154) = ( -0.2716049 0.1236049 0.2984081), wk = 0.0018349 k( 155) = ( -0.2654321 0.1207957 0.2916261), wk = 0.0018349 k( 156) = ( -0.2592593 0.1179865 0.2848441), wk = 0.0018349 k( 157) = ( -0.2530864 0.1151773 0.2780621), wk = 0.0018349 k( 158) = ( -0.2469136 0.1123681 0.2712801), wk = 0.0018349 k( 159) = ( -0.2407407 0.1095589 0.2644981), wk = 0.0018349 k( 160) = ( -0.2345679 0.1067497 0.2577161), wk = 0.0018349 k( 161) = ( -0.2283951 0.1039405 0.2509341), wk = 0.0018349 k( 162) = ( -0.2222222 0.1011313 0.2441521), wk = 0.0018349 k( 163) = ( -0.2160494 0.0983221 0.2373701), wk = 0.0018349 k( 164) = ( -0.2098765 0.0955129 0.2305881), wk = 0.0018349 k( 165) = ( -0.2037037 0.0927037 0.2238061), wk = 0.0018349 k( 166) = ( -0.1975309 0.0898945 0.2170241), wk = 0.0018349 k( 167) = ( -0.1913580 0.0870853 0.2102421), wk = 0.0018349 k( 168) = ( -0.1851852 0.0842761 0.2034601), wk = 0.0018349 k( 169) = ( -0.1790123 0.0814669 0.1966781), wk = 0.0018349 k( 170) = ( -0.1728395 0.0786577 0.1898961), wk = 0.0018349 k( 171) = ( -0.1666667 0.0758485 0.1831141), wk = 0.0018349 k( 172) = ( -0.1604938 0.0730393 0.1763321), wk = 0.0018349 k( 173) = ( -0.1543210 0.0702301 0.1695501), wk = 0.0018349 k( 174) = ( -0.1481482 0.0674209 0.1627681), wk = 0.0018349 k( 175) = ( -0.1419753 0.0646117 0.1559861), wk = 0.0018349 k( 176) = ( -0.1358025 0.0618024 0.1492041), wk = 0.0018349 k( 177) = ( -0.1296296 0.0589932 0.1424221), wk = 0.0018349 k( 178) = ( -0.1234568 0.0561840 0.1356401), wk = 0.0018349 k( 179) = ( -0.1172839 0.0533748 0.1288581), wk = 0.0018349 k( 180) = ( -0.1111111 0.0505656 0.1220761), wk = 0.0018349 k( 181) = ( -0.1049383 0.0477564 0.1152940), wk = 0.0018349 k( 182) = ( -0.0987654 0.0449472 0.1085120), wk = 0.0018349 k( 183) = ( -0.0925926 0.0421380 0.1017300), wk = 0.0018349 k( 184) = ( -0.0864198 0.0393288 0.0949480), wk = 0.0018349 k( 185) = ( -0.0802469 0.0365196 0.0881660), wk = 0.0018349 k( 186) = ( -0.0740741 0.0337104 0.0813840), wk = 0.0018349 k( 187) = ( -0.0679012 0.0309012 0.0746020), wk = 0.0018349 k( 188) = ( -0.0617284 0.0280920 0.0678200), wk = 0.0018349 k( 189) = ( -0.0555556 0.0252828 0.0610380), wk = 0.0018349 k( 190) = ( -0.0493827 0.0224736 0.0542560), wk = 0.0018349 k( 191) = ( -0.0432099 0.0196644 0.0474740), wk = 0.0018349 k( 192) = ( -0.0370370 0.0168552 0.0406920), wk = 0.0018349 k( 193) = ( -0.0308642 0.0140460 0.0339100), wk = 0.0018349 k( 194) = ( -0.0246914 0.0112368 0.0271280), wk = 0.0018349 k( 195) = ( -0.0185185 0.0084276 0.0203460), wk = 0.0018349 k( 196) = ( -0.0123457 0.0056184 0.0135640), wk = 0.0018349 k( 197) = ( -0.0061728 0.0028092 0.0067820), wk = 0.0018349 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 200) = ( 0.0039725 0.0087291 0.0000000), wk = 0.0018349 k( 201) = ( 0.0079450 0.0174581 0.0000000), wk = 0.0018349 k( 202) = ( 0.0119175 0.0261872 0.0000000), wk = 0.0018349 k( 203) = ( 0.0158901 0.0349162 0.0000000), wk = 0.0018349 k( 204) = ( 0.0198626 0.0436453 0.0000000), wk = 0.0018349 k( 205) = ( 0.0238351 0.0523744 0.0000000), wk = 0.0018349 k( 206) = ( 0.0278076 0.0611034 0.0000000), wk = 0.0018349 k( 207) = ( 0.0317801 0.0698325 0.0000000), wk = 0.0018349 k( 208) = ( 0.0357526 0.0785615 0.0000000), wk = 0.0018349 k( 209) = ( 0.0397252 0.0872906 0.0000000), wk = 0.0018349 k( 210) = ( 0.0436977 0.0960197 0.0000000), wk = 0.0018349 k( 211) = ( 0.0476702 0.1047487 0.0000000), wk = 0.0018349 k( 212) = ( 0.0516427 0.1134778 0.0000000), wk = 0.0018349 k( 213) = ( 0.0556152 0.1222068 0.0000000), wk = 0.0018349 k( 214) = ( 0.0595877 0.1309359 0.0000000), wk = 0.0018349 k( 215) = ( 0.0635602 0.1396650 0.0000000), wk = 0.0018349 k( 216) = ( 0.0675328 0.1483940 0.0000000), wk = 0.0018349 k( 217) = ( 0.0715053 0.1571231 0.0000000), wk = 0.0018349 k( 218) = ( 0.0754778 0.1658521 0.0000000), wk = 0.0018349 k( 219) = ( 0.0794503 0.1745812 0.0000000), wk = 0.0018349 k( 220) = ( 0.0834228 0.1833103 0.0000000), wk = 0.0018349 k( 221) = ( 0.0873953 0.1920393 0.0000000), wk = 0.0018349 k( 222) = ( 0.0913678 0.2007684 0.0000000), wk = 0.0018349 k( 223) = ( 0.0953404 0.2094974 0.0000000), wk = 0.0018349 k( 224) = ( 0.0993129 0.2182265 0.0000000), wk = 0.0018349 k( 225) = ( 0.1032854 0.2269556 0.0000000), wk = 0.0018349 k( 226) = ( 0.1072579 0.2356846 0.0000000), wk = 0.0018349 k( 227) = ( 0.1112304 0.2444137 0.0000000), wk = 0.0018349 k( 228) = ( 0.1152029 0.2531427 0.0000000), wk = 0.0018349 k( 229) = ( 0.1191754 0.2618718 0.0000000), wk = 0.0018349 k( 230) = ( 0.1231480 0.2706009 0.0000000), wk = 0.0018349 k( 231) = ( 0.1271205 0.2793299 0.0000000), wk = 0.0018349 k( 232) = ( 0.1310930 0.2880590 0.0000000), wk = 0.0018349 k( 233) = ( 0.1350655 0.2967881 0.0000000), wk = 0.0018349 k( 234) = ( 0.1390380 0.3055171 0.0000000), wk = 0.0018349 k( 235) = ( 0.1430105 0.3142462 0.0000000), wk = 0.0018349 k( 236) = ( 0.1469830 0.3229752 0.0000000), wk = 0.0018349 k( 237) = ( 0.1509555 0.3317043 0.0000000), wk = 0.0018349 k( 238) = ( 0.1549281 0.3404333 0.0000000), wk = 0.0018349 k( 239) = ( 0.1589006 0.3491624 0.0000000), wk = 0.0018349 k( 240) = ( 0.1628731 0.3578915 0.0000000), wk = 0.0018349 k( 241) = ( 0.1668456 0.3666205 0.0000000), wk = 0.0018349 k( 242) = ( 0.1708181 0.3753496 0.0000000), wk = 0.0018349 k( 243) = ( 0.1747906 0.3840786 0.0000000), wk = 0.0018349 k( 244) = ( 0.1787632 0.3928077 0.0000000), wk = 0.0018349 k( 245) = ( 0.1827357 0.4015368 0.0000000), wk = 0.0018349 k( 246) = ( 0.1867082 0.4102658 0.0000000), wk = 0.0018349 k( 247) = ( 0.1906807 0.4189949 0.0000000), wk = 0.0018349 k( 248) = ( 0.1946532 0.4277239 0.0000000), wk = 0.0018349 k( 249) = ( 0.1986257 0.4364530 0.0000000), wk = 0.0018349 k( 250) = ( 0.2025982 0.4451821 0.0000000), wk = 0.0018349 k( 251) = ( 0.2065708 0.4539111 0.0000000), wk = 0.0018349 k( 252) = ( 0.2105433 0.4626402 0.0000000), wk = 0.0018349 k( 253) = ( 0.2145158 0.4713693 0.0000000), wk = 0.0018349 k( 254) = ( 0.2184883 0.4800983 0.0000000), wk = 0.0018349 k( 255) = ( 0.2224608 0.4888274 0.0000000), wk = 0.0018349 k( 256) = ( 0.2264333 0.4975564 0.0000000), wk = 0.0018349 k( 257) = ( 0.2304058 0.5062855 0.0000000), wk = 0.0018349 k( 258) = ( 0.2343784 0.5150145 0.0000000), wk = 0.0018349 k( 259) = ( 0.2383509 0.5237436 0.0000000), wk = 0.0018349 k( 260) = ( 0.2423234 0.5324727 0.0000000), wk = 0.0018349 k( 261) = ( 0.2462959 0.5412017 0.0000000), wk = 0.0018349 k( 262) = ( 0.2502684 0.5499308 0.0000000), wk = 0.0018349 k( 263) = ( 0.2542409 0.5586598 0.0000000), wk = 0.0018349 k( 264) = ( 0.2582135 0.5673889 0.0000000), wk = 0.0018349 k( 265) = ( 0.2621860 0.5761180 0.0000000), wk = 0.0018349 k( 266) = ( 0.2661585 0.5848470 0.0000000), wk = 0.0018349 k( 267) = ( 0.2701310 0.5935761 0.0000000), wk = 0.0018349 k( 268) = ( 0.2741035 0.6023052 0.0000000), wk = 0.0018349 k( 269) = ( 0.2780760 0.6110342 0.0000000), wk = 0.0018349 k( 270) = ( 0.2820485 0.6197633 0.0000000), wk = 0.0018349 k( 271) = ( 0.2860210 0.6284923 0.0000000), wk = 0.0018349 k( 272) = ( 0.2899936 0.6372214 0.0000000), wk = 0.0018349 k( 273) = ( 0.2939661 0.6459505 0.0000000), wk = 0.0018349 k( 274) = ( 0.2979386 0.6546795 0.0000000), wk = 0.0018349 k( 275) = ( 0.3019111 0.6634086 0.0000000), wk = 0.0018349 k( 276) = ( 0.3058836 0.6721376 0.0000000), wk = 0.0018349 k( 277) = ( 0.3098561 0.6808667 0.0000000), wk = 0.0018349 k( 278) = ( 0.3138286 0.6895957 0.0000000), wk = 0.0018349 k( 279) = ( 0.3178012 0.6983248 0.0000000), wk = 0.0018349 k( 280) = ( 0.3217737 0.7070539 0.0000000), wk = 0.0018349 k( 281) = ( 0.3257462 0.7157829 0.0000000), wk = 0.0018349 k( 282) = ( 0.3297187 0.7245120 0.0000000), wk = 0.0018349 k( 283) = ( 0.3336912 0.7332410 0.0000000), wk = 0.0018349 k( 284) = ( 0.3376637 0.7419701 0.0000000), wk = 0.0018349 k( 285) = ( 0.3416362 0.7506992 0.0000000), wk = 0.0018349 k( 286) = ( 0.3456088 0.7594282 0.0000000), wk = 0.0018349 k( 287) = ( 0.3495813 0.7681573 0.0000000), wk = 0.0018349 k( 288) = ( 0.3535538 0.7768864 0.0000000), wk = 0.0018349 k( 289) = ( 0.3535538 0.7768864 0.0000000), wk = 0.0018349 k( 290) = ( 0.3519101 0.7732745 0.0087197), wk = 0.0018349 k( 291) = ( 0.3502664 0.7696627 0.0174394), wk = 0.0018349 k( 292) = ( 0.3486227 0.7660509 0.0261592), wk = 0.0018349 k( 293) = ( 0.3469790 0.7624390 0.0348789), wk = 0.0018349 k( 294) = ( 0.3453352 0.7588272 0.0435986), wk = 0.0018349 k( 295) = ( 0.3436915 0.7552154 0.0523183), wk = 0.0018349 k( 296) = ( 0.3420478 0.7516035 0.0610380), wk = 0.0018349 k( 297) = ( 0.3404041 0.7479917 0.0697577), wk = 0.0018349 k( 298) = ( 0.3387604 0.7443799 0.0784775), wk = 0.0018349 k( 299) = ( 0.3371167 0.7407680 0.0871972), wk = 0.0018349 k( 300) = ( 0.3354730 0.7371562 0.0959169), wk = 0.0018349 k( 301) = ( 0.3338293 0.7335444 0.1046366), wk = 0.0018349 k( 302) = ( 0.3321855 0.7299325 0.1133563), wk = 0.0018349 k( 303) = ( 0.3305418 0.7263207 0.1220761), wk = 0.0018349 k( 304) = ( 0.3288981 0.7227089 0.1307958), wk = 0.0018349 k( 305) = ( 0.3272544 0.7190971 0.1395155), wk = 0.0018349 k( 306) = ( 0.3256107 0.7154852 0.1482352), wk = 0.0018349 k( 307) = ( 0.3239670 0.7118734 0.1569549), wk = 0.0018349 k( 308) = ( 0.3223233 0.7082616 0.1656746), wk = 0.0018349 k( 309) = ( 0.3206796 0.7046497 0.1743944), wk = 0.0018349 k( 310) = ( 0.3190359 0.7010379 0.1831141), wk = 0.0018349 k( 311) = ( 0.3173921 0.6974261 0.1918338), wk = 0.0018349 k( 312) = ( 0.3157484 0.6938142 0.2005535), wk = 0.0018349 k( 313) = ( 0.3141047 0.6902024 0.2092732), wk = 0.0018349 k( 314) = ( 0.3124610 0.6865906 0.2179930), wk = 0.0018349 k( 315) = ( 0.3108173 0.6829787 0.2267127), wk = 0.0018349 k( 316) = ( 0.3091736 0.6793669 0.2354324), wk = 0.0018349 k( 317) = ( 0.3075299 0.6757551 0.2441521), wk = 0.0018349 k( 318) = ( 0.3058862 0.6721433 0.2528718), wk = 0.0018349 k( 319) = ( 0.3042425 0.6685314 0.2615915), wk = 0.0018349 k( 320) = ( 0.3025988 0.6649196 0.2703113), wk = 0.0018349 k( 321) = ( 0.3009550 0.6613077 0.2790310), wk = 0.0018349 k( 322) = ( 0.2993113 0.6576959 0.2877507), wk = 0.0018349 k( 323) = ( 0.2976676 0.6540841 0.2964704), wk = 0.0018349 k( 324) = ( 0.2960239 0.6504723 0.3051901), wk = 0.0018349 k( 325) = ( 0.2943802 0.6468604 0.3139099), wk = 0.0018349 k( 326) = ( 0.2927365 0.6432486 0.3226296), wk = 0.0018349 k( 327) = ( 0.2910928 0.6396368 0.3313493), wk = 0.0018349 k( 328) = ( 0.2894491 0.6360249 0.3400690), wk = 0.0018349 k( 329) = ( 0.2878054 0.6324131 0.3487887), wk = 0.0018349 k( 330) = ( 0.2861616 0.6288013 0.3575084), wk = 0.0018349 k( 331) = ( 0.2845179 0.6251894 0.3662282), wk = 0.0018349 k( 332) = ( 0.2828742 0.6215776 0.3749479), wk = 0.0018349 k( 333) = ( 0.2812305 0.6179658 0.3836676), wk = 0.0018349 k( 334) = ( 0.2795868 0.6143539 0.3923873), wk = 0.0018349 k( 335) = ( 0.2779431 0.6107421 0.4011070), wk = 0.0018349 k( 336) = ( 0.2762994 0.6071303 0.4098268), wk = 0.0018349 k( 337) = ( 0.2746557 0.6035185 0.4185465), wk = 0.0018349 k( 338) = ( 0.2730120 0.5999066 0.4272662), wk = 0.0018349 k( 339) = ( 0.2713682 0.5962948 0.4359859), wk = 0.0018349 k( 340) = ( 0.2697245 0.5926829 0.4447056), wk = 0.0018349 k( 341) = ( 0.2680808 0.5890711 0.4534253), wk = 0.0018349 k( 342) = ( 0.2664371 0.5854593 0.4621451), wk = 0.0018349 k( 343) = ( 0.2647934 0.5818475 0.4708648), wk = 0.0018349 k( 344) = ( 0.2631497 0.5782356 0.4795845), wk = 0.0018349 k( 345) = ( 0.2615060 0.5746238 0.4883042), wk = 0.0018349 k( 346) = ( 0.2598623 0.5710120 0.4970239), wk = 0.0018349 k( 347) = ( 0.2582186 0.5674001 0.5057437), wk = 0.0018349 k( 348) = ( 0.2565748 0.5637883 0.5144634), wk = 0.0018349 k( 349) = ( 0.2549311 0.5601765 0.5231831), wk = 0.0018349 k( 350) = ( 0.2532874 0.5565646 0.5319028), wk = 0.0018349 k( 351) = ( 0.2516437 0.5529528 0.5406225), wk = 0.0018349 k( 352) = ( 0.2500000 0.5493410 0.5493422), wk = 0.0018349 k( 353) = ( 0.2500000 0.5493410 0.5493422), wk = 0.0018349 k( 354) = ( 0.2439024 0.5521159 0.5426429), wk = 0.0018349 k( 355) = ( 0.2378049 0.5548909 0.5359437), wk = 0.0018349 k( 356) = ( 0.2317073 0.5576658 0.5292444), wk = 0.0018349 k( 357) = ( 0.2256098 0.5604408 0.5225451), wk = 0.0018349 k( 358) = ( 0.2195122 0.5632157 0.5158458), wk = 0.0018349 k( 359) = ( 0.2134146 0.5659906 0.5091465), wk = 0.0018349 k( 360) = ( 0.2073171 0.5687656 0.5024472), wk = 0.0018349 k( 361) = ( 0.2012195 0.5715405 0.4957479), wk = 0.0018349 k( 362) = ( 0.1951219 0.5743155 0.4890486), wk = 0.0018349 k( 363) = ( 0.1890244 0.5770904 0.4823493), wk = 0.0018349 k( 364) = ( 0.1829268 0.5798654 0.4756500), wk = 0.0018349 k( 365) = ( 0.1768293 0.5826403 0.4689507), wk = 0.0018349 k( 366) = ( 0.1707317 0.5854152 0.4622514), wk = 0.0018349 k( 367) = ( 0.1646342 0.5881902 0.4555521), wk = 0.0018349 k( 368) = ( 0.1585366 0.5909651 0.4488528), wk = 0.0018349 k( 369) = ( 0.1524390 0.5937401 0.4421535), wk = 0.0018349 k( 370) = ( 0.1463415 0.5965150 0.4354542), wk = 0.0018349 k( 371) = ( 0.1402439 0.5992900 0.4287549), wk = 0.0018349 k( 372) = ( 0.1341463 0.6020649 0.4220556), wk = 0.0018349 k( 373) = ( 0.1280488 0.6048399 0.4153563), wk = 0.0018349 k( 374) = ( 0.1219512 0.6076148 0.4086570), wk = 0.0018349 k( 375) = ( 0.1158537 0.6103897 0.4019577), wk = 0.0018349 k( 376) = ( 0.1097561 0.6131647 0.3952584), wk = 0.0018349 k( 377) = ( 0.1036585 0.6159396 0.3885592), wk = 0.0018349 k( 378) = ( 0.0975610 0.6187146 0.3818599), wk = 0.0018349 k( 379) = ( 0.0914634 0.6214895 0.3751606), wk = 0.0018349 k( 380) = ( 0.0853658 0.6242645 0.3684613), wk = 0.0018349 k( 381) = ( 0.0792683 0.6270394 0.3617620), wk = 0.0018349 k( 382) = ( 0.0731707 0.6298143 0.3550627), wk = 0.0018349 k( 383) = ( 0.0670732 0.6325893 0.3483634), wk = 0.0018349 k( 384) = ( 0.0609756 0.6353642 0.3416641), wk = 0.0018349 k( 385) = ( 0.0548780 0.6381392 0.3349648), wk = 0.0018349 k( 386) = ( 0.0487805 0.6409141 0.3282655), wk = 0.0018349 k( 387) = ( 0.0426829 0.6436891 0.3215662), wk = 0.0018349 k( 388) = ( 0.0365854 0.6464640 0.3148669), wk = 0.0018349 k( 389) = ( 0.0304878 0.6492390 0.3081676), wk = 0.0018349 k( 390) = ( 0.0243902 0.6520139 0.3014683), wk = 0.0018349 k( 391) = ( 0.0182927 0.6547888 0.2947690), wk = 0.0018349 k( 392) = ( 0.0121951 0.6575638 0.2880697), wk = 0.0018349 k( 393) = ( 0.0060976 0.6603387 0.2813704), wk = 0.0018349 k( 394) = ( 0.0000000 0.6631137 0.2746711), wk = 0.0018349 k( 395) = ( 0.0000000 0.6631137 0.2746711), wk = 0.0018349 k( 396) = ( -0.0073657 0.6607434 0.2803934), wk = 0.0018349 k( 397) = ( -0.0147314 0.6583731 0.2861158), wk = 0.0018349 k( 398) = ( -0.0220971 0.6560029 0.2918381), wk = 0.0018349 k( 399) = ( -0.0294628 0.6536326 0.2975604), wk = 0.0018349 k( 400) = ( -0.0368285 0.6512623 0.3032827), wk = 0.0018349 k( 401) = ( -0.0441942 0.6488921 0.3090050), wk = 0.0018349 k( 402) = ( -0.0515599 0.6465218 0.3147273), wk = 0.0018349 k( 403) = ( -0.0589256 0.6441516 0.3204496), wk = 0.0018349 k( 404) = ( -0.0662913 0.6417813 0.3261720), wk = 0.0018349 k( 405) = ( -0.0736570 0.6394110 0.3318943), wk = 0.0018349 k( 406) = ( -0.0810228 0.6370408 0.3376166), wk = 0.0018349 k( 407) = ( -0.0883884 0.6346705 0.3433389), wk = 0.0018349 k( 408) = ( -0.0957541 0.6323002 0.3490612), wk = 0.0018349 k( 409) = ( -0.1031199 0.6299300 0.3547835), wk = 0.0018349 k( 410) = ( -0.1104856 0.6275597 0.3605058), wk = 0.0018349 k( 411) = ( -0.1178513 0.6251894 0.3662282), wk = 0.0018349 k( 412) = ( -0.1252170 0.6228192 0.3719505), wk = 0.0018349 k( 413) = ( -0.1325827 0.6204489 0.3776728), wk = 0.0018349 k( 414) = ( -0.1399484 0.6180786 0.3833951), wk = 0.0018349 k( 415) = ( -0.1473141 0.6157084 0.3891174), wk = 0.0018349 k( 416) = ( -0.1546798 0.6133381 0.3948397), wk = 0.0018349 k( 417) = ( -0.1620455 0.6109679 0.4005621), wk = 0.0018349 k( 418) = ( -0.1694112 0.6085976 0.4062844), wk = 0.0018349 k( 419) = ( -0.1767769 0.6062273 0.4120067), wk = 0.0018349 k( 420) = ( -0.1841426 0.6038571 0.4177290), wk = 0.0018349 k( 421) = ( -0.1915083 0.6014868 0.4234513), wk = 0.0018349 k( 422) = ( -0.1988740 0.5991165 0.4291736), wk = 0.0018349 k( 423) = ( -0.2062397 0.5967463 0.4348959), wk = 0.0018349 k( 424) = ( -0.2136054 0.5943760 0.4406183), wk = 0.0018349 k( 425) = ( -0.2209711 0.5920057 0.4463406), wk = 0.0018349 k( 426) = ( -0.2283368 0.5896355 0.4520629), wk = 0.0018349 k( 427) = ( -0.2357025 0.5872652 0.4577852), wk = 0.0018349 k( 428) = ( -0.2430682 0.5848949 0.4635075), wk = 0.0018349 k( 429) = ( -0.2504339 0.5825247 0.4692298), wk = 0.0018349 k( 430) = ( -0.2577996 0.5801544 0.4749521), wk = 0.0018349 k( 431) = ( -0.2651654 0.5777841 0.4806745), wk = 0.0018349 k( 432) = ( -0.2725310 0.5754139 0.4863968), wk = 0.0018349 k( 433) = ( -0.2798968 0.5730436 0.4921191), wk = 0.0018349 k( 434) = ( -0.2872625 0.5706734 0.4978414), wk = 0.0018349 k( 435) = ( -0.2946282 0.5683031 0.5035637), wk = 0.0018349 k( 436) = ( -0.3019939 0.5659328 0.5092860), wk = 0.0018349 k( 437) = ( -0.3093596 0.5635626 0.5150084), wk = 0.0018349 k( 438) = ( -0.3167253 0.5611923 0.5207307), wk = 0.0018349 k( 439) = ( -0.3240910 0.5588220 0.5264530), wk = 0.0018349 k( 440) = ( -0.3314567 0.5564518 0.5321753), wk = 0.0018349 k( 441) = ( -0.3388224 0.5540815 0.5378976), wk = 0.0018349 k( 442) = ( -0.3461881 0.5517112 0.5436199), wk = 0.0018349 k( 443) = ( -0.3535538 0.5493410 0.5493422), wk = 0.0018349 k( 444) = ( -0.3535538 0.5493410 0.5493422), wk = 0.0018349 k( 445) = ( -0.3575118 0.5406438 0.5493422), wk = 0.0018349 k( 446) = ( -0.3614698 0.5319466 0.5493422), wk = 0.0018349 k( 447) = ( -0.3654278 0.5232495 0.5493422), wk = 0.0018349 k( 448) = ( -0.3693858 0.5145523 0.5493422), wk = 0.0018349 k( 449) = ( -0.3733438 0.5058551 0.5493422), wk = 0.0018349 k( 450) = ( -0.3773018 0.4971579 0.5493422), wk = 0.0018349 k( 451) = ( -0.3812598 0.4884607 0.5493422), wk = 0.0018349 k( 452) = ( -0.3852178 0.4797636 0.5493422), wk = 0.0018349 k( 453) = ( -0.3891758 0.4710664 0.5493422), wk = 0.0018349 k( 454) = ( -0.3931339 0.4623692 0.5493422), wk = 0.0018349 k( 455) = ( -0.3970919 0.4536720 0.5493422), wk = 0.0018349 k( 456) = ( -0.4010499 0.4449748 0.5493422), wk = 0.0018349 k( 457) = ( -0.4050079 0.4362777 0.5493422), wk = 0.0018349 k( 458) = ( -0.4089659 0.4275805 0.5493422), wk = 0.0018349 k( 459) = ( -0.4129239 0.4188833 0.5493422), wk = 0.0018349 k( 460) = ( -0.4168819 0.4101861 0.5493422), wk = 0.0018349 k( 461) = ( -0.4208399 0.4014889 0.5493422), wk = 0.0018349 k( 462) = ( -0.4247979 0.3927918 0.5493422), wk = 0.0018349 k( 463) = ( -0.4287559 0.3840946 0.5493422), wk = 0.0018349 k( 464) = ( -0.4327139 0.3753974 0.5493422), wk = 0.0018349 k( 465) = ( -0.4366719 0.3667002 0.5493422), wk = 0.0018349 k( 466) = ( -0.4406299 0.3580030 0.5493422), wk = 0.0018349 k( 467) = ( -0.4445879 0.3493059 0.5493422), wk = 0.0018349 k( 468) = ( -0.4485459 0.3406087 0.5493422), wk = 0.0018349 k( 469) = ( -0.4525039 0.3319115 0.5493422), wk = 0.0018349 k( 470) = ( -0.4564619 0.3232143 0.5493422), wk = 0.0018349 k( 471) = ( -0.4604200 0.3145172 0.5493422), wk = 0.0018349 k( 472) = ( -0.4643779 0.3058200 0.5493422), wk = 0.0018349 k( 473) = ( -0.4683360 0.2971228 0.5493422), wk = 0.0018349 k( 474) = ( -0.4722940 0.2884256 0.5493422), wk = 0.0018349 k( 475) = ( -0.4762520 0.2797284 0.5493422), wk = 0.0018349 k( 476) = ( -0.4802100 0.2710313 0.5493422), wk = 0.0018349 k( 477) = ( -0.4841680 0.2623341 0.5493422), wk = 0.0018349 k( 478) = ( -0.4881260 0.2536369 0.5493422), wk = 0.0018349 k( 479) = ( -0.4920840 0.2449397 0.5493422), wk = 0.0018349 k( 480) = ( -0.4960420 0.2362426 0.5493422), wk = 0.0018349 k( 481) = ( -0.5000000 0.2275454 0.5493422), wk = 0.0018349 k( 482) = ( 0.0000000 0.0000000 0.5493422), wk = 0.0018349 k( 483) = ( 0.0039683 0.0087197 0.5493422), wk = 0.0018349 k( 484) = ( 0.0079365 0.0174394 0.5493422), wk = 0.0018349 k( 485) = ( 0.0119048 0.0261591 0.5493422), wk = 0.0018349 k( 486) = ( 0.0158730 0.0348788 0.5493422), wk = 0.0018349 k( 487) = ( 0.0198413 0.0435985 0.5493422), wk = 0.0018349 k( 488) = ( 0.0238095 0.0523182 0.5493422), wk = 0.0018349 k( 489) = ( 0.0277778 0.0610379 0.5493422), wk = 0.0018349 k( 490) = ( 0.0317460 0.0697576 0.5493422), wk = 0.0018349 k( 491) = ( 0.0357143 0.0784773 0.5493422), wk = 0.0018349 k( 492) = ( 0.0396825 0.0871970 0.5493422), wk = 0.0018349 k( 493) = ( 0.0436508 0.0959167 0.5493422), wk = 0.0018349 k( 494) = ( 0.0476191 0.1046364 0.5493422), wk = 0.0018349 k( 495) = ( 0.0515873 0.1133561 0.5493422), wk = 0.0018349 k( 496) = ( 0.0555556 0.1220758 0.5493422), wk = 0.0018349 k( 497) = ( 0.0595238 0.1307955 0.5493422), wk = 0.0018349 k( 498) = ( 0.0634921 0.1395152 0.5493422), wk = 0.0018349 k( 499) = ( 0.0674603 0.1482349 0.5493422), wk = 0.0018349 k( 500) = ( 0.0714286 0.1569546 0.5493422), wk = 0.0018349 k( 501) = ( 0.0753968 0.1656743 0.5493422), wk = 0.0018349 k( 502) = ( 0.0793651 0.1743940 0.5493422), wk = 0.0018349 k( 503) = ( 0.0833333 0.1831137 0.5493422), wk = 0.0018349 k( 504) = ( 0.0873016 0.1918334 0.5493422), wk = 0.0018349 k( 505) = ( 0.0912698 0.2005531 0.5493422), wk = 0.0018349 k( 506) = ( 0.0952381 0.2092728 0.5493422), wk = 0.0018349 k( 507) = ( 0.0992063 0.2179925 0.5493422), wk = 0.0018349 k( 508) = ( 0.1031746 0.2267121 0.5493422), wk = 0.0018349 k( 509) = ( 0.1071429 0.2354319 0.5493422), wk = 0.0018349 k( 510) = ( 0.1111111 0.2441515 0.5493422), wk = 0.0018349 k( 511) = ( 0.1150794 0.2528713 0.5493422), wk = 0.0018349 k( 512) = ( 0.1190476 0.2615909 0.5493422), wk = 0.0018349 k( 513) = ( 0.1230159 0.2703106 0.5493422), wk = 0.0018349 k( 514) = ( 0.1269841 0.2790303 0.5493422), wk = 0.0018349 k( 515) = ( 0.1309524 0.2877500 0.5493422), wk = 0.0018349 k( 516) = ( 0.1349206 0.2964697 0.5493422), wk = 0.0018349 k( 517) = ( 0.1388889 0.3051894 0.5493422), wk = 0.0018349 k( 518) = ( 0.1428571 0.3139091 0.5493422), wk = 0.0018349 k( 519) = ( 0.1468254 0.3226288 0.5493422), wk = 0.0018349 k( 520) = ( 0.1507937 0.3313485 0.5493422), wk = 0.0018349 k( 521) = ( 0.1547619 0.3400682 0.5493422), wk = 0.0018349 k( 522) = ( 0.1587302 0.3487879 0.5493422), wk = 0.0018349 k( 523) = ( 0.1626984 0.3575076 0.5493422), wk = 0.0018349 k( 524) = ( 0.1666667 0.3662273 0.5493422), wk = 0.0018349 k( 525) = ( 0.1706349 0.3749470 0.5493422), wk = 0.0018349 k( 526) = ( 0.1746032 0.3836667 0.5493422), wk = 0.0018349 k( 527) = ( 0.1785714 0.3923864 0.5493422), wk = 0.0018349 k( 528) = ( 0.1825397 0.4011061 0.5493422), wk = 0.0018349 k( 529) = ( 0.1865079 0.4098258 0.5493422), wk = 0.0018349 k( 530) = ( 0.1904762 0.4185455 0.5493422), wk = 0.0018349 k( 531) = ( 0.1944444 0.4272652 0.5493422), wk = 0.0018349 k( 532) = ( 0.1984127 0.4359849 0.5493422), wk = 0.0018349 k( 533) = ( 0.2023810 0.4447046 0.5493422), wk = 0.0018349 k( 534) = ( 0.2063492 0.4534243 0.5493422), wk = 0.0018349 k( 535) = ( 0.2103175 0.4621440 0.5493422), wk = 0.0018349 k( 536) = ( 0.2142857 0.4708637 0.5493422), wk = 0.0018349 k( 537) = ( 0.2182540 0.4795834 0.5493422), wk = 0.0018349 k( 538) = ( 0.2222222 0.4883031 0.5493422), wk = 0.0018349 k( 539) = ( 0.2261905 0.4970228 0.5493422), wk = 0.0018349 k( 540) = ( 0.2301587 0.5057425 0.5493422), wk = 0.0018349 k( 541) = ( 0.2341270 0.5144622 0.5493422), wk = 0.0018349 k( 542) = ( 0.2380952 0.5231819 0.5493422), wk = 0.0018349 k( 543) = ( 0.2420635 0.5319016 0.5493422), wk = 0.0018349 k( 544) = ( 0.2460317 0.5406213 0.5493422), wk = 0.0018349 k( 545) = ( 0.2500000 0.5493410 0.5493422), wk = 0.0018349 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0018349 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0018349 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0018349 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0018349 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0018349 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0018349 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0018349 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0018349 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0018349 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0018349 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0018349 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0018349 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0018349 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0018349 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0018349 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0018349 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0018349 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0018349 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018349 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0018349 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0018349 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0018349 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0018349 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0018349 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0018349 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0018349 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0018349 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0018349 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0018349 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0018349 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0018349 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0018349 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0018349 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0018349 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0018349 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0018349 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0018349 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018349 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0018349 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0018349 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0018349 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0018349 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0018349 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0018349 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0018349 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0018349 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0018349 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0018349 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0018349 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0018349 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0018349 k( 53) = ( 0.0000000 0.0000000 0.4561403), wk = 0.0018349 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0018349 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0018349 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0018349 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0018349 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018349 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018349 k( 60) = ( -0.0087719 0.0087719 0.5000000), wk = 0.0018349 k( 61) = ( -0.0175439 0.0175439 0.5000000), wk = 0.0018349 k( 62) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0018349 k( 63) = ( -0.0350877 0.0350877 0.5000000), wk = 0.0018349 k( 64) = ( -0.0438597 0.0438597 0.5000000), wk = 0.0018349 k( 65) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0018349 k( 66) = ( -0.0614035 0.0614035 0.5000000), wk = 0.0018349 k( 67) = ( -0.0701754 0.0701754 0.5000000), wk = 0.0018349 k( 68) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0018349 k( 69) = ( -0.0877193 0.0877193 0.5000000), wk = 0.0018349 k( 70) = ( -0.0964912 0.0964912 0.5000000), wk = 0.0018349 k( 71) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0018349 k( 72) = ( -0.1140351 0.1140351 0.5000000), wk = 0.0018349 k( 73) = ( -0.1228070 0.1228070 0.5000000), wk = 0.0018349 k( 74) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0018349 k( 75) = ( -0.1403509 0.1403509 0.5000000), wk = 0.0018349 k( 76) = ( -0.1491228 0.1491228 0.5000000), wk = 0.0018349 k( 77) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0018349 k( 78) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0018349 k( 79) = ( -0.1754386 0.1754386 0.5000000), wk = 0.0018349 k( 80) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0018349 k( 81) = ( -0.1929825 0.1929825 0.5000000), wk = 0.0018349 k( 82) = ( -0.2017544 0.2017544 0.5000000), wk = 0.0018349 k( 83) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0018349 k( 84) = ( -0.2192983 0.2192983 0.5000000), wk = 0.0018349 k( 85) = ( -0.2280702 0.2280702 0.5000000), wk = 0.0018349 k( 86) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0018349 k( 87) = ( -0.2456140 0.2456140 0.5000000), wk = 0.0018349 k( 88) = ( -0.2543860 0.2543860 0.5000000), wk = 0.0018349 k( 89) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0018349 k( 90) = ( -0.2719298 0.2719298 0.5000000), wk = 0.0018349 k( 91) = ( -0.2807018 0.2807018 0.5000000), wk = 0.0018349 k( 92) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0018349 k( 93) = ( -0.2982456 0.2982456 0.5000000), wk = 0.0018349 k( 94) = ( -0.3070175 0.3070175 0.5000000), wk = 0.0018349 k( 95) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0018349 k( 96) = ( -0.3245614 0.3245614 0.5000000), wk = 0.0018349 k( 97) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0018349 k( 98) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0018349 k( 99) = ( -0.3508772 0.3508772 0.5000000), wk = 0.0018349 k( 100) = ( -0.3596491 0.3596491 0.5000000), wk = 0.0018349 k( 101) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0018349 k( 102) = ( -0.3771930 0.3771930 0.5000000), wk = 0.0018349 k( 103) = ( -0.3859649 0.3859649 0.5000000), wk = 0.0018349 k( 104) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0018349 k( 105) = ( -0.4035088 0.4035088 0.5000000), wk = 0.0018349 k( 106) = ( -0.4122807 0.4122807 0.5000000), wk = 0.0018349 k( 107) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0018349 k( 108) = ( -0.4298246 0.4298246 0.5000000), wk = 0.0018349 k( 109) = ( -0.4385965 0.4385965 0.5000000), wk = 0.0018349 k( 110) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0018349 k( 111) = ( -0.4561404 0.4561404 0.5000000), wk = 0.0018349 k( 112) = ( -0.4649123 0.4649123 0.5000000), wk = 0.0018349 k( 113) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0018349 k( 114) = ( -0.4824561 0.4824561 0.5000000), wk = 0.0018349 k( 115) = ( -0.4912281 0.4912281 0.5000000), wk = 0.0018349 k( 116) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018349 k( 117) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018349 k( 118) = ( -0.4938272 0.4938272 0.4938272), wk = 0.0018349 k( 119) = ( -0.4876543 0.4876543 0.4876543), wk = 0.0018349 k( 120) = ( -0.4814815 0.4814815 0.4814815), wk = 0.0018349 k( 121) = ( -0.4753086 0.4753086 0.4753086), wk = 0.0018349 k( 122) = ( -0.4691358 0.4691358 0.4691358), wk = 0.0018349 k( 123) = ( -0.4629630 0.4629630 0.4629630), wk = 0.0018349 k( 124) = ( -0.4567901 0.4567901 0.4567901), wk = 0.0018349 k( 125) = ( -0.4506173 0.4506173 0.4506173), wk = 0.0018349 k( 126) = ( -0.4444444 0.4444444 0.4444444), wk = 0.0018349 k( 127) = ( -0.4382716 0.4382716 0.4382716), wk = 0.0018349 k( 128) = ( -0.4320988 0.4320988 0.4320988), wk = 0.0018349 k( 129) = ( -0.4259259 0.4259259 0.4259259), wk = 0.0018349 k( 130) = ( -0.4197531 0.4197531 0.4197531), wk = 0.0018349 k( 131) = ( -0.4135802 0.4135802 0.4135802), wk = 0.0018349 k( 132) = ( -0.4074074 0.4074074 0.4074074), wk = 0.0018349 k( 133) = ( -0.4012346 0.4012346 0.4012346), wk = 0.0018349 k( 134) = ( -0.3950617 0.3950617 0.3950617), wk = 0.0018349 k( 135) = ( -0.3888889 0.3888889 0.3888889), wk = 0.0018349 k( 136) = ( -0.3827160 0.3827161 0.3827160), wk = 0.0018349 k( 137) = ( -0.3765432 0.3765432 0.3765432), wk = 0.0018349 k( 138) = ( -0.3703704 0.3703704 0.3703704), wk = 0.0018349 k( 139) = ( -0.3641975 0.3641975 0.3641975), wk = 0.0018349 k( 140) = ( -0.3580247 0.3580247 0.3580247), wk = 0.0018349 k( 141) = ( -0.3518519 0.3518519 0.3518518), wk = 0.0018349 k( 142) = ( -0.3456790 0.3456790 0.3456790), wk = 0.0018349 k( 143) = ( -0.3395062 0.3395062 0.3395062), wk = 0.0018349 k( 144) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0018349 k( 145) = ( -0.3271605 0.3271605 0.3271605), wk = 0.0018349 k( 146) = ( -0.3209877 0.3209877 0.3209877), wk = 0.0018349 k( 147) = ( -0.3148148 0.3148148 0.3148148), wk = 0.0018349 k( 148) = ( -0.3086420 0.3086420 0.3086420), wk = 0.0018349 k( 149) = ( -0.3024691 0.3024691 0.3024691), wk = 0.0018349 k( 150) = ( -0.2962963 0.2962963 0.2962963), wk = 0.0018349 k( 151) = ( -0.2901235 0.2901235 0.2901235), wk = 0.0018349 k( 152) = ( -0.2839506 0.2839506 0.2839506), wk = 0.0018349 k( 153) = ( -0.2777778 0.2777778 0.2777778), wk = 0.0018349 k( 154) = ( -0.2716049 0.2716049 0.2716049), wk = 0.0018349 k( 155) = ( -0.2654321 0.2654321 0.2654321), wk = 0.0018349 k( 156) = ( -0.2592593 0.2592593 0.2592593), wk = 0.0018349 k( 157) = ( -0.2530864 0.2530864 0.2530864), wk = 0.0018349 k( 158) = ( -0.2469136 0.2469136 0.2469136), wk = 0.0018349 k( 159) = ( -0.2407407 0.2407407 0.2407407), wk = 0.0018349 k( 160) = ( -0.2345679 0.2345679 0.2345679), wk = 0.0018349 k( 161) = ( -0.2283951 0.2283951 0.2283951), wk = 0.0018349 k( 162) = ( -0.2222222 0.2222222 0.2222222), wk = 0.0018349 k( 163) = ( -0.2160494 0.2160494 0.2160494), wk = 0.0018349 k( 164) = ( -0.2098765 0.2098765 0.2098765), wk = 0.0018349 k( 165) = ( -0.2037037 0.2037037 0.2037037), wk = 0.0018349 k( 166) = ( -0.1975309 0.1975309 0.1975309), wk = 0.0018349 k( 167) = ( -0.1913580 0.1913580 0.1913580), wk = 0.0018349 k( 168) = ( -0.1851852 0.1851852 0.1851852), wk = 0.0018349 k( 169) = ( -0.1790123 0.1790123 0.1790123), wk = 0.0018349 k( 170) = ( -0.1728395 0.1728395 0.1728395), wk = 0.0018349 k( 171) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0018349 k( 172) = ( -0.1604938 0.1604938 0.1604938), wk = 0.0018349 k( 173) = ( -0.1543210 0.1543210 0.1543210), wk = 0.0018349 k( 174) = ( -0.1481482 0.1481482 0.1481482), wk = 0.0018349 k( 175) = ( -0.1419753 0.1419753 0.1419753), wk = 0.0018349 k( 176) = ( -0.1358025 0.1358025 0.1358025), wk = 0.0018349 k( 177) = ( -0.1296296 0.1296296 0.1296296), wk = 0.0018349 k( 178) = ( -0.1234568 0.1234568 0.1234568), wk = 0.0018349 k( 179) = ( -0.1172839 0.1172839 0.1172839), wk = 0.0018349 k( 180) = ( -0.1111111 0.1111111 0.1111111), wk = 0.0018349 k( 181) = ( -0.1049383 0.1049383 0.1049383), wk = 0.0018349 k( 182) = ( -0.0987654 0.0987654 0.0987654), wk = 0.0018349 k( 183) = ( -0.0925926 0.0925926 0.0925926), wk = 0.0018349 k( 184) = ( -0.0864198 0.0864198 0.0864198), wk = 0.0018349 k( 185) = ( -0.0802469 0.0802469 0.0802469), wk = 0.0018349 k( 186) = ( -0.0740741 0.0740741 0.0740741), wk = 0.0018349 k( 187) = ( -0.0679012 0.0679012 0.0679012), wk = 0.0018349 k( 188) = ( -0.0617284 0.0617284 0.0617284), wk = 0.0018349 k( 189) = ( -0.0555556 0.0555556 0.0555556), wk = 0.0018349 k( 190) = ( -0.0493827 0.0493827 0.0493827), wk = 0.0018349 k( 191) = ( -0.0432099 0.0432099 0.0432099), wk = 0.0018349 k( 192) = ( -0.0370370 0.0370370 0.0370370), wk = 0.0018349 k( 193) = ( -0.0308642 0.0308642 0.0308642), wk = 0.0018349 k( 194) = ( -0.0246914 0.0246914 0.0246914), wk = 0.0018349 k( 195) = ( -0.0185185 0.0185185 0.0185185), wk = 0.0018349 k( 196) = ( -0.0123457 0.0123457 0.0123457), wk = 0.0018349 k( 197) = ( -0.0061728 0.0061728 0.0061728), wk = 0.0018349 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018349 k( 200) = ( 0.0039725 0.0039725 -0.0039725), wk = 0.0018349 k( 201) = ( 0.0079450 0.0079450 -0.0079450), wk = 0.0018349 k( 202) = ( 0.0119175 0.0119175 -0.0119175), wk = 0.0018349 k( 203) = ( 0.0158901 0.0158901 -0.0158901), wk = 0.0018349 k( 204) = ( 0.0198626 0.0198626 -0.0198626), wk = 0.0018349 k( 205) = ( 0.0238351 0.0238351 -0.0238351), wk = 0.0018349 k( 206) = ( 0.0278076 0.0278076 -0.0278076), wk = 0.0018349 k( 207) = ( 0.0317801 0.0317801 -0.0317801), wk = 0.0018349 k( 208) = ( 0.0357526 0.0357526 -0.0357526), wk = 0.0018349 k( 209) = ( 0.0397252 0.0397252 -0.0397252), wk = 0.0018349 k( 210) = ( 0.0436977 0.0436977 -0.0436977), wk = 0.0018349 k( 211) = ( 0.0476702 0.0476702 -0.0476702), wk = 0.0018349 k( 212) = ( 0.0516427 0.0516427 -0.0516427), wk = 0.0018349 k( 213) = ( 0.0556152 0.0556152 -0.0556152), wk = 0.0018349 k( 214) = ( 0.0595877 0.0595877 -0.0595877), wk = 0.0018349 k( 215) = ( 0.0635602 0.0635602 -0.0635602), wk = 0.0018349 k( 216) = ( 0.0675328 0.0675328 -0.0675328), wk = 0.0018349 k( 217) = ( 0.0715053 0.0715053 -0.0715053), wk = 0.0018349 k( 218) = ( 0.0754778 0.0754778 -0.0754778), wk = 0.0018349 k( 219) = ( 0.0794503 0.0794503 -0.0794503), wk = 0.0018349 k( 220) = ( 0.0834228 0.0834228 -0.0834228), wk = 0.0018349 k( 221) = ( 0.0873953 0.0873953 -0.0873953), wk = 0.0018349 k( 222) = ( 0.0913678 0.0913678 -0.0913678), wk = 0.0018349 k( 223) = ( 0.0953404 0.0953404 -0.0953404), wk = 0.0018349 k( 224) = ( 0.0993129 0.0993129 -0.0993129), wk = 0.0018349 k( 225) = ( 0.1032854 0.1032854 -0.1032854), wk = 0.0018349 k( 226) = ( 0.1072579 0.1072579 -0.1072579), wk = 0.0018349 k( 227) = ( 0.1112304 0.1112304 -0.1112304), wk = 0.0018349 k( 228) = ( 0.1152029 0.1152029 -0.1152029), wk = 0.0018349 k( 229) = ( 0.1191754 0.1191754 -0.1191754), wk = 0.0018349 k( 230) = ( 0.1231480 0.1231480 -0.1231480), wk = 0.0018349 k( 231) = ( 0.1271205 0.1271205 -0.1271205), wk = 0.0018349 k( 232) = ( 0.1310930 0.1310930 -0.1310930), wk = 0.0018349 k( 233) = ( 0.1350655 0.1350655 -0.1350655), wk = 0.0018349 k( 234) = ( 0.1390380 0.1390380 -0.1390380), wk = 0.0018349 k( 235) = ( 0.1430105 0.1430105 -0.1430105), wk = 0.0018349 k( 236) = ( 0.1469830 0.1469830 -0.1469830), wk = 0.0018349 k( 237) = ( 0.1509555 0.1509556 -0.1509556), wk = 0.0018349 k( 238) = ( 0.1549281 0.1549281 -0.1549281), wk = 0.0018349 k( 239) = ( 0.1589006 0.1589006 -0.1589006), wk = 0.0018349 k( 240) = ( 0.1628731 0.1628731 -0.1628731), wk = 0.0018349 k( 241) = ( 0.1668456 0.1668456 -0.1668456), wk = 0.0018349 k( 242) = ( 0.1708181 0.1708181 -0.1708181), wk = 0.0018349 k( 243) = ( 0.1747906 0.1747906 -0.1747906), wk = 0.0018349 k( 244) = ( 0.1787632 0.1787632 -0.1787632), wk = 0.0018349 k( 245) = ( 0.1827357 0.1827357 -0.1827357), wk = 0.0018349 k( 246) = ( 0.1867082 0.1867082 -0.1867082), wk = 0.0018349 k( 247) = ( 0.1906807 0.1906807 -0.1906807), wk = 0.0018349 k( 248) = ( 0.1946532 0.1946532 -0.1946532), wk = 0.0018349 k( 249) = ( 0.1986257 0.1986257 -0.1986257), wk = 0.0018349 k( 250) = ( 0.2025982 0.2025982 -0.2025982), wk = 0.0018349 k( 251) = ( 0.2065708 0.2065708 -0.2065708), wk = 0.0018349 k( 252) = ( 0.2105433 0.2105433 -0.2105433), wk = 0.0018349 k( 253) = ( 0.2145158 0.2145158 -0.2145158), wk = 0.0018349 k( 254) = ( 0.2184883 0.2184883 -0.2184883), wk = 0.0018349 k( 255) = ( 0.2224608 0.2224608 -0.2224608), wk = 0.0018349 k( 256) = ( 0.2264333 0.2264333 -0.2264333), wk = 0.0018349 k( 257) = ( 0.2304058 0.2304058 -0.2304058), wk = 0.0018349 k( 258) = ( 0.2343784 0.2343784 -0.2343784), wk = 0.0018349 k( 259) = ( 0.2383509 0.2383509 -0.2383509), wk = 0.0018349 k( 260) = ( 0.2423234 0.2423234 -0.2423234), wk = 0.0018349 k( 261) = ( 0.2462959 0.2462959 -0.2462959), wk = 0.0018349 k( 262) = ( 0.2502684 0.2502684 -0.2502684), wk = 0.0018349 k( 263) = ( 0.2542409 0.2542409 -0.2542409), wk = 0.0018349 k( 264) = ( 0.2582135 0.2582134 -0.2582134), wk = 0.0018349 k( 265) = ( 0.2621860 0.2621860 -0.2621860), wk = 0.0018349 k( 266) = ( 0.2661585 0.2661585 -0.2661585), wk = 0.0018349 k( 267) = ( 0.2701310 0.2701310 -0.2701310), wk = 0.0018349 k( 268) = ( 0.2741035 0.2741035 -0.2741035), wk = 0.0018349 k( 269) = ( 0.2780760 0.2780760 -0.2780760), wk = 0.0018349 k( 270) = ( 0.2820485 0.2820485 -0.2820485), wk = 0.0018349 k( 271) = ( 0.2860210 0.2860210 -0.2860210), wk = 0.0018349 k( 272) = ( 0.2899936 0.2899936 -0.2899936), wk = 0.0018349 k( 273) = ( 0.2939661 0.2939661 -0.2939661), wk = 0.0018349 k( 274) = ( 0.2979386 0.2979386 -0.2979386), wk = 0.0018349 k( 275) = ( 0.3019111 0.3019111 -0.3019111), wk = 0.0018349 k( 276) = ( 0.3058836 0.3058836 -0.3058836), wk = 0.0018349 k( 277) = ( 0.3098561 0.3098561 -0.3098561), wk = 0.0018349 k( 278) = ( 0.3138286 0.3138286 -0.3138286), wk = 0.0018349 k( 279) = ( 0.3178012 0.3178012 -0.3178012), wk = 0.0018349 k( 280) = ( 0.3217737 0.3217737 -0.3217737), wk = 0.0018349 k( 281) = ( 0.3257462 0.3257462 -0.3257462), wk = 0.0018349 k( 282) = ( 0.3297187 0.3297187 -0.3297187), wk = 0.0018349 k( 283) = ( 0.3336912 0.3336912 -0.3336912), wk = 0.0018349 k( 284) = ( 0.3376637 0.3376637 -0.3376637), wk = 0.0018349 k( 285) = ( 0.3416362 0.3416363 -0.3416362), wk = 0.0018349 k( 286) = ( 0.3456088 0.3456088 -0.3456088), wk = 0.0018349 k( 287) = ( 0.3495813 0.3495813 -0.3495813), wk = 0.0018349 k( 288) = ( 0.3535538 0.3535538 -0.3535538), wk = 0.0018349 k( 289) = ( 0.3535538 0.3535538 -0.3535538), wk = 0.0018349 k( 290) = ( 0.3519101 0.3519101 -0.3439736), wk = 0.0018349 k( 291) = ( 0.3502664 0.3502664 -0.3343934), wk = 0.0018349 k( 292) = ( 0.3486227 0.3486227 -0.3248131), wk = 0.0018349 k( 293) = ( 0.3469790 0.3469790 -0.3152329), wk = 0.0018349 k( 294) = ( 0.3453352 0.3453352 -0.3056527), wk = 0.0018349 k( 295) = ( 0.3436915 0.3436915 -0.2960725), wk = 0.0018349 k( 296) = ( 0.3420478 0.3420478 -0.2864923), wk = 0.0018349 k( 297) = ( 0.3404041 0.3404041 -0.2769121), wk = 0.0018349 k( 298) = ( 0.3387604 0.3387604 -0.2673318), wk = 0.0018349 k( 299) = ( 0.3371167 0.3371167 -0.2577516), wk = 0.0018349 k( 300) = ( 0.3354730 0.3354730 -0.2481714), wk = 0.0018349 k( 301) = ( 0.3338293 0.3338293 -0.2385912), wk = 0.0018349 k( 302) = ( 0.3321855 0.3321855 -0.2290110), wk = 0.0018349 k( 303) = ( 0.3305418 0.3305418 -0.2194307), wk = 0.0018349 k( 304) = ( 0.3288981 0.3288981 -0.2098505), wk = 0.0018349 k( 305) = ( 0.3272544 0.3272544 -0.2002703), wk = 0.0018349 k( 306) = ( 0.3256107 0.3256107 -0.1906901), wk = 0.0018349 k( 307) = ( 0.3239670 0.3239670 -0.1811099), wk = 0.0018349 k( 308) = ( 0.3223233 0.3223233 -0.1715296), wk = 0.0018349 k( 309) = ( 0.3206796 0.3206796 -0.1619494), wk = 0.0018349 k( 310) = ( 0.3190359 0.3190359 -0.1523692), wk = 0.0018349 k( 311) = ( 0.3173921 0.3173922 -0.1427890), wk = 0.0018349 k( 312) = ( 0.3157484 0.3157484 -0.1332088), wk = 0.0018349 k( 313) = ( 0.3141047 0.3141047 -0.1236285), wk = 0.0018349 k( 314) = ( 0.3124610 0.3124610 -0.1140483), wk = 0.0018349 k( 315) = ( 0.3108173 0.3108173 -0.1044681), wk = 0.0018349 k( 316) = ( 0.3091736 0.3091736 -0.0948879), wk = 0.0018349 k( 317) = ( 0.3075299 0.3075299 -0.0853077), wk = 0.0018349 k( 318) = ( 0.3058862 0.3058862 -0.0757275), wk = 0.0018349 k( 319) = ( 0.3042425 0.3042425 -0.0661472), wk = 0.0018349 k( 320) = ( 0.3025988 0.3025988 -0.0565670), wk = 0.0018349 k( 321) = ( 0.3009550 0.3009550 -0.0469868), wk = 0.0018349 k( 322) = ( 0.2993113 0.2993113 -0.0374066), wk = 0.0018349 k( 323) = ( 0.2976676 0.2976676 -0.0278264), wk = 0.0018349 k( 324) = ( 0.2960239 0.2960239 -0.0182461), wk = 0.0018349 k( 325) = ( 0.2943802 0.2943802 -0.0086659), wk = 0.0018349 k( 326) = ( 0.2927365 0.2927365 0.0009143), wk = 0.0018349 k( 327) = ( 0.2910928 0.2910928 0.0104945), wk = 0.0018349 k( 328) = ( 0.2894491 0.2894491 0.0200747), wk = 0.0018349 k( 329) = ( 0.2878054 0.2878054 0.0296550), wk = 0.0018349 k( 330) = ( 0.2861616 0.2861616 0.0392352), wk = 0.0018349 k( 331) = ( 0.2845179 0.2845179 0.0488154), wk = 0.0018349 k( 332) = ( 0.2828742 0.2828742 0.0583956), wk = 0.0018349 k( 333) = ( 0.2812305 0.2812305 0.0679758), wk = 0.0018349 k( 334) = ( 0.2795868 0.2795868 0.0775561), wk = 0.0018349 k( 335) = ( 0.2779431 0.2779431 0.0871363), wk = 0.0018349 k( 336) = ( 0.2762994 0.2762994 0.0967165), wk = 0.0018349 k( 337) = ( 0.2746557 0.2746557 0.1062967), wk = 0.0018349 k( 338) = ( 0.2730120 0.2730120 0.1158769), wk = 0.0018349 k( 339) = ( 0.2713682 0.2713682 0.1254572), wk = 0.0018349 k( 340) = ( 0.2697245 0.2697245 0.1350374), wk = 0.0018349 k( 341) = ( 0.2680808 0.2680808 0.1446176), wk = 0.0018349 k( 342) = ( 0.2664371 0.2664371 0.1541978), wk = 0.0018349 k( 343) = ( 0.2647934 0.2647934 0.1637780), wk = 0.0018349 k( 344) = ( 0.2631497 0.2631497 0.1733582), wk = 0.0018349 k( 345) = ( 0.2615060 0.2615060 0.1829385), wk = 0.0018349 k( 346) = ( 0.2598623 0.2598623 0.1925187), wk = 0.0018349 k( 347) = ( 0.2582186 0.2582186 0.2020989), wk = 0.0018349 k( 348) = ( 0.2565748 0.2565748 0.2116791), wk = 0.0018349 k( 349) = ( 0.2549311 0.2549311 0.2212593), wk = 0.0018349 k( 350) = ( 0.2532874 0.2532874 0.2308396), wk = 0.0018349 k( 351) = ( 0.2516437 0.2516437 0.2404198), wk = 0.0018349 k( 352) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018349 k( 353) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018349 k( 354) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0018349 k( 355) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0018349 k( 356) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0018349 k( 357) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0018349 k( 358) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0018349 k( 359) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0018349 k( 360) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0018349 k( 361) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0018349 k( 362) = ( 0.1951219 0.3048781 0.1951219), wk = 0.0018349 k( 363) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0018349 k( 364) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0018349 k( 365) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0018349 k( 366) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0018349 k( 367) = ( 0.1646342 0.3353659 0.1646342), wk = 0.0018349 k( 368) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0018349 k( 369) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0018349 k( 370) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0018349 k( 371) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0018349 k( 372) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0018349 k( 373) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0018349 k( 374) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0018349 k( 375) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0018349 k( 376) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0018349 k( 377) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0018349 k( 378) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0018349 k( 379) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0018349 k( 380) = ( 0.0853658 0.4146342 0.0853658), wk = 0.0018349 k( 381) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0018349 k( 382) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0018349 k( 383) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0018349 k( 384) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0018349 k( 385) = ( 0.0548780 0.4451220 0.0548780), wk = 0.0018349 k( 386) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0018349 k( 387) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0018349 k( 388) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0018349 k( 389) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0018349 k( 390) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0018349 k( 391) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0018349 k( 392) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0018349 k( 393) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0018349 k( 394) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018349 k( 395) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018349 k( 396) = ( -0.0073657 0.5030510 0.0073657), wk = 0.0018349 k( 397) = ( -0.0147314 0.5061019 0.0147314), wk = 0.0018349 k( 398) = ( -0.0220971 0.5091529 0.0220971), wk = 0.0018349 k( 399) = ( -0.0294628 0.5122039 0.0294628), wk = 0.0018349 k( 400) = ( -0.0368285 0.5152548 0.0368285), wk = 0.0018349 k( 401) = ( -0.0441942 0.5183058 0.0441942), wk = 0.0018349 k( 402) = ( -0.0515599 0.5213567 0.0515599), wk = 0.0018349 k( 403) = ( -0.0589256 0.5244077 0.0589256), wk = 0.0018349 k( 404) = ( -0.0662913 0.5274587 0.0662913), wk = 0.0018349 k( 405) = ( -0.0736570 0.5305096 0.0736570), wk = 0.0018349 k( 406) = ( -0.0810228 0.5335606 0.0810227), wk = 0.0018349 k( 407) = ( -0.0883884 0.5366116 0.0883885), wk = 0.0018349 k( 408) = ( -0.0957541 0.5396625 0.0957541), wk = 0.0018349 k( 409) = ( -0.1031199 0.5427135 0.1031199), wk = 0.0018349 k( 410) = ( -0.1104856 0.5457644 0.1104856), wk = 0.0018349 k( 411) = ( -0.1178513 0.5488154 0.1178513), wk = 0.0018349 k( 412) = ( -0.1252170 0.5518664 0.1252170), wk = 0.0018349 k( 413) = ( -0.1325827 0.5549173 0.1325827), wk = 0.0018349 k( 414) = ( -0.1399484 0.5579683 0.1399484), wk = 0.0018349 k( 415) = ( -0.1473141 0.5610192 0.1473141), wk = 0.0018349 k( 416) = ( -0.1546798 0.5640702 0.1546798), wk = 0.0018349 k( 417) = ( -0.1620455 0.5671212 0.1620455), wk = 0.0018349 k( 418) = ( -0.1694112 0.5701721 0.1694112), wk = 0.0018349 k( 419) = ( -0.1767769 0.5732231 0.1767769), wk = 0.0018349 k( 420) = ( -0.1841426 0.5762741 0.1841426), wk = 0.0018349 k( 421) = ( -0.1915083 0.5793250 0.1915083), wk = 0.0018349 k( 422) = ( -0.1988740 0.5823760 0.1988740), wk = 0.0018349 k( 423) = ( -0.2062397 0.5854270 0.2062397), wk = 0.0018349 k( 424) = ( -0.2136054 0.5884779 0.2136054), wk = 0.0018349 k( 425) = ( -0.2209711 0.5915289 0.2209711), wk = 0.0018349 k( 426) = ( -0.2283368 0.5945798 0.2283368), wk = 0.0018349 k( 427) = ( -0.2357025 0.5976308 0.2357025), wk = 0.0018349 k( 428) = ( -0.2430682 0.6006818 0.2430682), wk = 0.0018349 k( 429) = ( -0.2504339 0.6037327 0.2504339), wk = 0.0018349 k( 430) = ( -0.2577996 0.6067837 0.2577996), wk = 0.0018349 k( 431) = ( -0.2651654 0.6098347 0.2651653), wk = 0.0018349 k( 432) = ( -0.2725310 0.6128856 0.2725310), wk = 0.0018349 k( 433) = ( -0.2798968 0.6159366 0.2798968), wk = 0.0018349 k( 434) = ( -0.2872625 0.6189875 0.2872625), wk = 0.0018349 k( 435) = ( -0.2946282 0.6220385 0.2946282), wk = 0.0018349 k( 436) = ( -0.3019939 0.6250895 0.3019939), wk = 0.0018349 k( 437) = ( -0.3093596 0.6281404 0.3093596), wk = 0.0018349 k( 438) = ( -0.3167253 0.6311914 0.3167253), wk = 0.0018349 k( 439) = ( -0.3240910 0.6342423 0.3240910), wk = 0.0018349 k( 440) = ( -0.3314567 0.6372933 0.3314567), wk = 0.0018349 k( 441) = ( -0.3388224 0.6403443 0.3388224), wk = 0.0018349 k( 442) = ( -0.3461881 0.6433952 0.3461881), wk = 0.0018349 k( 443) = ( -0.3535538 0.6464462 0.3535538), wk = 0.0018349 k( 444) = ( -0.3535538 0.6464462 0.3535538), wk = 0.0018349 k( 445) = ( -0.3575118 0.6424882 0.3575118), wk = 0.0018349 k( 446) = ( -0.3614698 0.6385302 0.3614698), wk = 0.0018349 k( 447) = ( -0.3654278 0.6345722 0.3654278), wk = 0.0018349 k( 448) = ( -0.3693858 0.6306142 0.3693858), wk = 0.0018349 k( 449) = ( -0.3733438 0.6266562 0.3733438), wk = 0.0018349 k( 450) = ( -0.3773018 0.6226982 0.3773018), wk = 0.0018349 k( 451) = ( -0.3812598 0.6187402 0.3812598), wk = 0.0018349 k( 452) = ( -0.3852178 0.6147822 0.3852178), wk = 0.0018349 k( 453) = ( -0.3891758 0.6108242 0.3891759), wk = 0.0018349 k( 454) = ( -0.3931339 0.6068662 0.3931338), wk = 0.0018349 k( 455) = ( -0.3970919 0.6029081 0.3970919), wk = 0.0018349 k( 456) = ( -0.4010499 0.5989501 0.4010499), wk = 0.0018349 k( 457) = ( -0.4050079 0.5949921 0.4050079), wk = 0.0018349 k( 458) = ( -0.4089659 0.5910341 0.4089659), wk = 0.0018349 k( 459) = ( -0.4129239 0.5870761 0.4129239), wk = 0.0018349 k( 460) = ( -0.4168819 0.5831181 0.4168819), wk = 0.0018349 k( 461) = ( -0.4208399 0.5791601 0.4208399), wk = 0.0018349 k( 462) = ( -0.4247979 0.5752021 0.4247979), wk = 0.0018349 k( 463) = ( -0.4287559 0.5712441 0.4287559), wk = 0.0018349 k( 464) = ( -0.4327139 0.5672861 0.4327139), wk = 0.0018349 k( 465) = ( -0.4366719 0.5633281 0.4366719), wk = 0.0018349 k( 466) = ( -0.4406299 0.5593701 0.4406299), wk = 0.0018349 k( 467) = ( -0.4445879 0.5554121 0.4445879), wk = 0.0018349 k( 468) = ( -0.4485459 0.5514541 0.4485459), wk = 0.0018349 k( 469) = ( -0.4525039 0.5474961 0.4525039), wk = 0.0018349 k( 470) = ( -0.4564619 0.5435381 0.4564619), wk = 0.0018349 k( 471) = ( -0.4604200 0.5395800 0.4604199), wk = 0.0018349 k( 472) = ( -0.4643779 0.5356221 0.4643779), wk = 0.0018349 k( 473) = ( -0.4683360 0.5316640 0.4683360), wk = 0.0018349 k( 474) = ( -0.4722940 0.5277060 0.4722940), wk = 0.0018349 k( 475) = ( -0.4762520 0.5237480 0.4762520), wk = 0.0018349 k( 476) = ( -0.4802100 0.5197900 0.4802100), wk = 0.0018349 k( 477) = ( -0.4841680 0.5158320 0.4841680), wk = 0.0018349 k( 478) = ( -0.4881260 0.5118740 0.4881260), wk = 0.0018349 k( 479) = ( -0.4920840 0.5079160 0.4920840), wk = 0.0018349 k( 480) = ( -0.4960420 0.5039580 0.4960420), wk = 0.0018349 k( 481) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018349 k( 482) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018349 k( 483) = ( 0.0039683 0.0039683 0.4960317), wk = 0.0018349 k( 484) = ( 0.0079365 0.0079365 0.4920635), wk = 0.0018349 k( 485) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0018349 k( 486) = ( 0.0158730 0.0158730 0.4841270), wk = 0.0018349 k( 487) = ( 0.0198413 0.0198413 0.4801587), wk = 0.0018349 k( 488) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0018349 k( 489) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0018349 k( 490) = ( 0.0317460 0.0317460 0.4682540), wk = 0.0018349 k( 491) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0018349 k( 492) = ( 0.0396825 0.0396825 0.4603175), wk = 0.0018349 k( 493) = ( 0.0436508 0.0436508 0.4563492), wk = 0.0018349 k( 494) = ( 0.0476191 0.0476191 0.4523809), wk = 0.0018349 k( 495) = ( 0.0515873 0.0515873 0.4484127), wk = 0.0018349 k( 496) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0018349 k( 497) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0018349 k( 498) = ( 0.0634921 0.0634921 0.4365079), wk = 0.0018349 k( 499) = ( 0.0674603 0.0674603 0.4325397), wk = 0.0018349 k( 500) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0018349 k( 501) = ( 0.0753968 0.0753968 0.4246032), wk = 0.0018349 k( 502) = ( 0.0793651 0.0793651 0.4206349), wk = 0.0018349 k( 503) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0018349 k( 504) = ( 0.0873016 0.0873016 0.4126984), wk = 0.0018349 k( 505) = ( 0.0912698 0.0912698 0.4087302), wk = 0.0018349 k( 506) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0018349 k( 507) = ( 0.0992063 0.0992064 0.4007936), wk = 0.0018349 k( 508) = ( 0.1031746 0.1031746 0.3968254), wk = 0.0018349 k( 509) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0018349 k( 510) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0018349 k( 511) = ( 0.1150794 0.1150794 0.3849206), wk = 0.0018349 k( 512) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0018349 k( 513) = ( 0.1230159 0.1230159 0.3769841), wk = 0.0018349 k( 514) = ( 0.1269841 0.1269841 0.3730159), wk = 0.0018349 k( 515) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0018349 k( 516) = ( 0.1349206 0.1349206 0.3650794), wk = 0.0018349 k( 517) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0018349 k( 518) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0018349 k( 519) = ( 0.1468254 0.1468254 0.3531746), wk = 0.0018349 k( 520) = ( 0.1507937 0.1507937 0.3492064), wk = 0.0018349 k( 521) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0018349 k( 522) = ( 0.1587302 0.1587302 0.3412698), wk = 0.0018349 k( 523) = ( 0.1626984 0.1626984 0.3373016), wk = 0.0018349 k( 524) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0018349 k( 525) = ( 0.1706349 0.1706349 0.3293651), wk = 0.0018349 k( 526) = ( 0.1746032 0.1746032 0.3253968), wk = 0.0018349 k( 527) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0018349 k( 528) = ( 0.1825397 0.1825397 0.3174603), wk = 0.0018349 k( 529) = ( 0.1865079 0.1865079 0.3134921), wk = 0.0018349 k( 530) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0018349 k( 531) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0018349 k( 532) = ( 0.1984127 0.1984127 0.3015873), wk = 0.0018349 k( 533) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0018349 k( 534) = ( 0.2063492 0.2063492 0.2936508), wk = 0.0018349 k( 535) = ( 0.2103175 0.2103175 0.2896825), wk = 0.0018349 k( 536) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0018349 k( 537) = ( 0.2182540 0.2182540 0.2817460), wk = 0.0018349 k( 538) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0018349 k( 539) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0018349 k( 540) = ( 0.2301587 0.2301587 0.2698413), wk = 0.0018349 k( 541) = ( 0.2341270 0.2341270 0.2658730), wk = 0.0018349 k( 542) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0018349 k( 543) = ( 0.2420635 0.2420635 0.2579365), wk = 0.0018349 k( 544) = ( 0.2460317 0.2460318 0.2539683), wk = 0.0018349 k( 545) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018349 Dense grid: 5067 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 46, 12) NL pseudopotentials 0.01 Mb ( 23, 34) Each V/rho on FFT grid 0.01 Mb ( 625) Each G-vector array 0.00 Mb ( 140) G-vector shells 0.00 Mb ( 70) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 46, 48) Each subspace H/S matrix 0.00 Mb ( 12, 12) Each matrix 0.01 Mb ( 34, 2, 12) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Si.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.3 secs Computing kpt #: 19 total cpu time spent up to now is 3.4 secs Computing kpt #: 20 total cpu time spent up to now is 3.4 secs Computing kpt #: 21 total cpu time spent up to now is 3.5 secs Computing kpt #: 22 total cpu time spent up to now is 3.5 secs Computing kpt #: 23 total cpu time spent up to now is 3.5 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.6 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.7 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.7 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.8 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 3.9 secs Computing kpt #: 34 total cpu time spent up to now is 3.9 secs Computing kpt #: 35 total cpu time spent up to now is 4.0 secs Computing kpt #: 36 total cpu time spent up to now is 4.0 secs Computing kpt #: 37 total cpu time spent up to now is 4.1 secs Computing kpt #: 38 total cpu time spent up to now is 4.1 secs Computing kpt #: 39 total cpu time spent up to now is 4.2 secs Computing kpt #: 40 total cpu time spent up to now is 4.2 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.3 secs Computing kpt #: 43 total cpu time spent up to now is 4.4 secs Computing kpt #: 44 total cpu time spent up to now is 4.4 secs Computing kpt #: 45 total cpu time spent up to now is 4.5 secs Computing kpt #: 46 total cpu time spent up to now is 4.5 secs Computing kpt #: 47 total cpu time spent up to now is 4.6 secs Computing kpt #: 48 total cpu time spent up to now is 4.6 secs Computing kpt #: 49 total cpu time spent up to now is 4.7 secs Computing kpt #: 50 total cpu time spent up to now is 4.7 secs Computing kpt #: 51 total cpu time spent up to now is 4.8 secs Computing kpt #: 52 total cpu time spent up to now is 4.8 secs Computing kpt #: 53 total cpu time spent up to now is 4.8 secs Computing kpt #: 54 total cpu time spent up to now is 4.9 secs Computing kpt #: 55 total cpu time spent up to now is 4.9 secs Computing kpt #: 56 total cpu time spent up to now is 5.0 secs Computing kpt #: 57 total cpu time spent up to now is 5.0 secs Computing kpt #: 58 total cpu time spent up to now is 5.1 secs Computing kpt #: 59 total cpu time spent up to now is 5.1 secs Computing kpt #: 60 total cpu time spent up to now is 5.2 secs Computing kpt #: 61 total cpu time spent up to now is 5.2 secs Computing kpt #: 62 total cpu time spent up to now is 5.3 secs Computing kpt #: 63 total cpu time spent up to now is 5.3 secs Computing kpt #: 64 total cpu time spent up to now is 5.4 secs Computing kpt #: 65 total cpu time spent up to now is 5.4 secs Computing kpt #: 66 total cpu time spent up to now is 5.4 secs Computing kpt #: 67 total cpu time spent up to now is 5.5 secs Computing kpt #: 68 total cpu time spent up to now is 5.5 secs Computing kpt #: 69 total cpu time spent up to now is 5.6 secs Computing kpt #: 70 total cpu time spent up to now is 5.6 secs Computing kpt #: 71 total cpu time spent up to now is 5.7 secs Computing kpt #: 72 total cpu time spent up to now is 5.7 secs Computing kpt #: 73 total cpu time spent up to now is 5.7 secs Computing kpt #: 74 total cpu time spent up to now is 5.8 secs Computing kpt #: 75 total cpu time spent up to now is 5.8 secs Computing kpt #: 76 total cpu time spent up to now is 5.8 secs Computing kpt #: 77 total cpu time spent up to now is 5.9 secs Computing kpt #: 78 total cpu time spent up to now is 5.9 secs Computing kpt #: 79 total cpu time spent up to now is 5.9 secs Computing kpt #: 80 total cpu time spent up to now is 6.0 secs Computing kpt #: 81 total cpu time spent up to now is 6.0 secs Computing kpt #: 82 total cpu time spent up to now is 6.1 secs Computing kpt #: 83 total cpu time spent up to now is 6.1 secs Computing kpt #: 84 total cpu time spent up to now is 6.1 secs Computing kpt #: 85 total cpu time spent up to now is 6.1 secs Computing kpt #: 86 total cpu time spent up to now is 6.2 secs Computing kpt #: 87 total cpu time spent up to now is 6.2 secs Computing kpt #: 88 total cpu time spent up to now is 6.2 secs Computing kpt #: 89 total cpu time spent up to now is 6.3 secs Computing kpt #: 90 total cpu time spent up to now is 6.3 secs Computing kpt #: 91 total cpu time spent up to now is 6.3 secs Computing kpt #: 92 total cpu time spent up to now is 6.4 secs Computing kpt #: 93 total cpu time spent up to now is 6.4 secs Computing kpt #: 94 total cpu time spent up to now is 6.4 secs Computing kpt #: 95 total cpu time spent up to now is 6.4 secs Computing kpt #: 96 total cpu time spent up to now is 6.5 secs Computing kpt #: 97 total cpu time spent up to now is 6.5 secs Computing kpt #: 98 total cpu time spent up to now is 6.5 secs Computing kpt #: 99 total cpu time spent up to now is 6.6 secs Computing kpt #: 100 total cpu time spent up to now is 6.6 secs Computing kpt #: 101 total cpu time spent up to now is 6.6 secs Computing kpt #: 102 total cpu time spent up to now is 6.7 secs Computing kpt #: 103 total cpu time spent up to now is 6.7 secs Computing kpt #: 104 total cpu time spent up to now is 6.7 secs Computing kpt #: 105 total cpu time spent up to now is 6.7 secs Computing kpt #: 106 total cpu time spent up to now is 6.8 secs Computing kpt #: 107 total cpu time spent up to now is 6.8 secs Computing kpt #: 108 total cpu time spent up to now is 6.8 secs Computing kpt #: 109 total cpu time spent up to now is 6.9 secs Computing kpt #: 110 total cpu time spent up to now is 6.9 secs Computing kpt #: 111 total cpu time spent up to now is 6.9 secs Computing kpt #: 112 total cpu time spent up to now is 6.9 secs Computing kpt #: 113 total cpu time spent up to now is 7.0 secs Computing kpt #: 114 total cpu time spent up to now is 7.0 secs Computing kpt #: 115 total cpu time spent up to now is 7.0 secs Computing kpt #: 116 total cpu time spent up to now is 7.1 secs Computing kpt #: 117 total cpu time spent up to now is 7.1 secs Computing kpt #: 118 total cpu time spent up to now is 7.1 secs Computing kpt #: 119 total cpu time spent up to now is 7.2 secs Computing kpt #: 120 total cpu time spent up to now is 7.2 secs Computing kpt #: 121 total cpu time spent up to now is 7.2 secs Computing kpt #: 122 total cpu time spent up to now is 7.2 secs Computing kpt #: 123 total cpu time spent up to now is 7.3 secs Computing kpt #: 124 total cpu time spent up to now is 7.3 secs Computing kpt #: 125 total cpu time spent up to now is 7.3 secs Computing kpt #: 126 total cpu time spent up to now is 7.4 secs Computing kpt #: 127 total cpu time spent up to now is 7.4 secs Computing kpt #: 128 total cpu time spent up to now is 7.4 secs Computing kpt #: 129 total cpu time spent up to now is 7.4 secs Computing kpt #: 130 total cpu time spent up to now is 7.5 secs Computing kpt #: 131 total cpu time spent up to now is 7.5 secs Computing kpt #: 132 total cpu time spent up to now is 7.5 secs Computing kpt #: 133 total cpu time spent up to now is 8.0 secs Computing kpt #: 134 total cpu time spent up to now is 8.1 secs Computing kpt #: 135 total cpu time spent up to now is 8.1 secs Computing kpt #: 136 total cpu time spent up to now is 8.1 secs Computing kpt #: 137 total cpu time spent up to now is 8.1 secs Computing kpt #: 138 total cpu time spent up to now is 8.2 secs Computing kpt #: 139 total cpu time spent up to now is 8.2 secs Computing kpt #: 140 total cpu time spent up to now is 8.2 secs Computing kpt #: 141 total cpu time spent up to now is 8.3 secs Computing kpt #: 142 total cpu time spent up to now is 8.3 secs Computing kpt #: 143 total cpu time spent up to now is 8.3 secs Computing kpt #: 144 total cpu time spent up to now is 8.4 secs Computing kpt #: 145 total cpu time spent up to now is 8.4 secs Computing kpt #: 146 total cpu time spent up to now is 8.4 secs Computing kpt #: 147 total cpu time spent up to now is 8.4 secs Computing kpt #: 148 total cpu time spent up to now is 8.5 secs Computing kpt #: 149 total cpu time spent up to now is 8.5 secs Computing kpt #: 150 total cpu time spent up to now is 8.5 secs Computing kpt #: 151 total cpu time spent up to now is 8.6 secs Computing kpt #: 152 total cpu time spent up to now is 8.6 secs Computing kpt #: 153 total cpu time spent up to now is 8.6 secs Computing kpt #: 154 total cpu time spent up to now is 8.7 secs Computing kpt #: 155 total cpu time spent up to now is 8.7 secs Computing kpt #: 156 total cpu time spent up to now is 8.7 secs Computing kpt #: 157 total cpu time spent up to now is 8.8 secs Computing kpt #: 158 total cpu time spent up to now is 8.8 secs Computing kpt #: 159 total cpu time spent up to now is 8.9 secs Computing kpt #: 160 total cpu time spent up to now is 8.9 secs Computing kpt #: 161 total cpu time spent up to now is 8.9 secs Computing kpt #: 162 total cpu time spent up to now is 9.0 secs Computing kpt #: 163 total cpu time spent up to now is 9.0 secs Computing kpt #: 164 total cpu time spent up to now is 9.1 secs Computing kpt #: 165 total cpu time spent up to now is 9.1 secs Computing kpt #: 166 total cpu time spent up to now is 9.2 secs Computing kpt #: 167 total cpu time spent up to now is 9.2 secs Computing kpt #: 168 total cpu time spent up to now is 9.3 secs Computing kpt #: 169 total cpu time spent up to now is 9.3 secs Computing kpt #: 170 total cpu time spent up to now is 9.4 secs Computing kpt #: 171 total cpu time spent up to now is 9.4 secs Computing kpt #: 172 total cpu time spent up to now is 9.4 secs Computing kpt #: 173 total cpu time spent up to now is 9.5 secs Computing kpt #: 174 total cpu time spent up to now is 9.5 secs Computing kpt #: 175 total cpu time spent up to now is 9.6 secs Computing kpt #: 176 total cpu time spent up to now is 9.6 secs Computing kpt #: 177 total cpu time spent up to now is 9.6 secs Computing kpt #: 178 total cpu time spent up to now is 9.7 secs Computing kpt #: 179 total cpu time spent up to now is 9.7 secs Computing kpt #: 180 total cpu time spent up to now is 9.7 secs Computing kpt #: 181 total cpu time spent up to now is 9.8 secs Computing kpt #: 182 total cpu time spent up to now is 9.8 secs Computing kpt #: 183 total cpu time spent up to now is 9.8 secs Computing kpt #: 184 total cpu time spent up to now is 9.9 secs Computing kpt #: 185 total cpu time spent up to now is 9.9 secs Computing kpt #: 186 total cpu time spent up to now is 10.0 secs Computing kpt #: 187 total cpu time spent up to now is 10.0 secs Computing kpt #: 188 total cpu time spent up to now is 10.0 secs Computing kpt #: 189 total cpu time spent up to now is 10.1 secs Computing kpt #: 190 total cpu time spent up to now is 10.1 secs Computing kpt #: 191 total cpu time spent up to now is 10.1 secs Computing kpt #: 192 total cpu time spent up to now is 10.2 secs Computing kpt #: 193 total cpu time spent up to now is 10.2 secs Computing kpt #: 194 total cpu time spent up to now is 10.2 secs Computing kpt #: 195 total cpu time spent up to now is 10.3 secs Computing kpt #: 196 total cpu time spent up to now is 10.3 secs Computing kpt #: 197 total cpu time spent up to now is 10.3 secs Computing kpt #: 198 total cpu time spent up to now is 10.4 secs Computing kpt #: 199 total cpu time spent up to now is 10.4 secs Computing kpt #: 200 total cpu time spent up to now is 10.4 secs Computing kpt #: 201 total cpu time spent up to now is 10.5 secs Computing kpt #: 202 total cpu time spent up to now is 10.5 secs Computing kpt #: 203 total cpu time spent up to now is 10.5 secs Computing kpt #: 204 total cpu time spent up to now is 10.6 secs Computing kpt #: 205 total cpu time spent up to now is 10.6 secs Computing kpt #: 206 total cpu time spent up to now is 10.6 secs Computing kpt #: 207 total cpu time spent up to now is 10.7 secs Computing kpt #: 208 total cpu time spent up to now is 10.7 secs Computing kpt #: 209 total cpu time spent up to now is 10.7 secs Computing kpt #: 210 total cpu time spent up to now is 10.8 secs Computing kpt #: 211 total cpu time spent up to now is 10.8 secs Computing kpt #: 212 total cpu time spent up to now is 10.9 secs Computing kpt #: 213 total cpu time spent up to now is 10.9 secs Computing kpt #: 214 total cpu time spent up to now is 10.9 secs Computing kpt #: 215 total cpu time spent up to now is 11.0 secs Computing kpt #: 216 total cpu time spent up to now is 11.0 secs Computing kpt #: 217 total cpu time spent up to now is 11.0 secs Computing kpt #: 218 total cpu time spent up to now is 11.1 secs Computing kpt #: 219 total cpu time spent up to now is 11.1 secs Computing kpt #: 220 total cpu time spent up to now is 11.1 secs Computing kpt #: 221 total cpu time spent up to now is 11.2 secs Computing kpt #: 222 total cpu time spent up to now is 11.2 secs Computing kpt #: 223 total cpu time spent up to now is 11.3 secs Computing kpt #: 224 total cpu time spent up to now is 11.4 secs Computing kpt #: 225 total cpu time spent up to now is 11.4 secs Computing kpt #: 226 total cpu time spent up to now is 11.5 secs Computing kpt #: 227 total cpu time spent up to now is 11.5 secs Computing kpt #: 228 total cpu time spent up to now is 11.6 secs Computing kpt #: 229 total cpu time spent up to now is 11.6 secs Computing kpt #: 230 total cpu time spent up to now is 11.7 secs Computing kpt #: 231 total cpu time spent up to now is 11.7 secs Computing kpt #: 232 total cpu time spent up to now is 11.8 secs Computing kpt #: 233 total cpu time spent up to now is 11.8 secs Computing kpt #: 234 total cpu time spent up to now is 11.9 secs Computing kpt #: 235 total cpu time spent up to now is 11.9 secs Computing kpt #: 236 total cpu time spent up to now is 12.0 secs Computing kpt #: 237 total cpu time spent up to now is 12.0 secs Computing kpt #: 238 total cpu time spent up to now is 12.1 secs Computing kpt #: 239 total cpu time spent up to now is 12.1 secs Computing kpt #: 240 total cpu time spent up to now is 12.1 secs Computing kpt #: 241 total cpu time spent up to now is 12.2 secs Computing kpt #: 242 total cpu time spent up to now is 12.2 secs Computing kpt #: 243 total cpu time spent up to now is 12.3 secs Computing kpt #: 244 total cpu time spent up to now is 12.3 secs Computing kpt #: 245 total cpu time spent up to now is 12.4 secs Computing kpt #: 246 total cpu time spent up to now is 12.4 secs Computing kpt #: 247 total cpu time spent up to now is 12.4 secs Computing kpt #: 248 total cpu time spent up to now is 12.5 secs Computing kpt #: 249 total cpu time spent up to now is 12.5 secs Computing kpt #: 250 total cpu time spent up to now is 12.5 secs Computing kpt #: 251 total cpu time spent up to now is 12.6 secs Computing kpt #: 252 total cpu time spent up to now is 12.6 secs Computing kpt #: 253 total cpu time spent up to now is 12.7 secs Computing kpt #: 254 total cpu time spent up to now is 12.7 secs Computing kpt #: 255 total cpu time spent up to now is 12.8 secs Computing kpt #: 256 total cpu time spent up to now is 12.8 secs Computing kpt #: 257 total cpu time spent up to now is 12.9 secs Computing kpt #: 258 total cpu time spent up to now is 12.9 secs Computing kpt #: 259 total cpu time spent up to now is 13.0 secs Computing kpt #: 260 total cpu time spent up to now is 13.0 secs Computing kpt #: 261 total cpu time spent up to now is 13.1 secs Computing kpt #: 262 total cpu time spent up to now is 13.1 secs Computing kpt #: 263 total cpu time spent up to now is 13.2 secs Computing kpt #: 264 total cpu time spent up to now is 13.2 secs Computing kpt #: 265 total cpu time spent up to now is 13.3 secs Computing kpt #: 266 total cpu time spent up to now is 13.3 secs Computing kpt #: 267 total cpu time spent up to now is 13.4 secs Computing kpt #: 268 total cpu time spent up to now is 13.4 secs Computing kpt #: 269 total cpu time spent up to now is 13.5 secs Computing kpt #: 270 total cpu time spent up to now is 13.5 secs Computing kpt #: 271 total cpu time spent up to now is 13.6 secs Computing kpt #: 272 total cpu time spent up to now is 13.6 secs Computing kpt #: 273 total cpu time spent up to now is 13.7 secs Computing kpt #: 274 total cpu time spent up to now is 13.7 secs Computing kpt #: 275 total cpu time spent up to now is 13.8 secs Computing kpt #: 276 total cpu time spent up to now is 13.8 secs Computing kpt #: 277 total cpu time spent up to now is 13.9 secs Computing kpt #: 278 total cpu time spent up to now is 13.9 secs Computing kpt #: 279 total cpu time spent up to now is 14.0 secs Computing kpt #: 280 total cpu time spent up to now is 14.0 secs Computing kpt #: 281 total cpu time spent up to now is 14.1 secs Computing kpt #: 282 total cpu time spent up to now is 14.1 secs Computing kpt #: 283 total cpu time spent up to now is 14.2 secs Computing kpt #: 284 total cpu time spent up to now is 14.3 secs Computing kpt #: 285 total cpu time spent up to now is 14.3 secs Computing kpt #: 286 total cpu time spent up to now is 14.4 secs Computing kpt #: 287 total cpu time spent up to now is 14.5 secs Computing kpt #: 288 total cpu time spent up to now is 14.5 secs Computing kpt #: 289 total cpu time spent up to now is 14.6 secs Computing kpt #: 290 total cpu time spent up to now is 14.6 secs Computing kpt #: 291 total cpu time spent up to now is 14.7 secs Computing kpt #: 292 total cpu time spent up to now is 14.7 secs Computing kpt #: 293 total cpu time spent up to now is 14.8 secs Computing kpt #: 294 total cpu time spent up to now is 14.8 secs Computing kpt #: 295 total cpu time spent up to now is 14.9 secs Computing kpt #: 296 total cpu time spent up to now is 14.9 secs Computing kpt #: 297 total cpu time spent up to now is 14.9 secs Computing kpt #: 298 total cpu time spent up to now is 15.0 secs Computing kpt #: 299 total cpu time spent up to now is 15.0 secs Computing kpt #: 300 total cpu time spent up to now is 15.1 secs Computing kpt #: 301 total cpu time spent up to now is 15.1 secs Computing kpt #: 302 total cpu time spent up to now is 15.1 secs Computing kpt #: 303 total cpu time spent up to now is 15.2 secs Computing kpt #: 304 total cpu time spent up to now is 15.2 secs Computing kpt #: 305 total cpu time spent up to now is 15.2 secs Computing kpt #: 306 total cpu time spent up to now is 15.3 secs Computing kpt #: 307 total cpu time spent up to now is 15.3 secs Computing kpt #: 308 total cpu time spent up to now is 15.3 secs Computing kpt #: 309 total cpu time spent up to now is 15.4 secs Computing kpt #: 310 total cpu time spent up to now is 15.4 secs Computing kpt #: 311 total cpu time spent up to now is 15.4 secs Computing kpt #: 312 total cpu time spent up to now is 15.4 secs Computing kpt #: 313 total cpu time spent up to now is 15.5 secs Computing kpt #: 314 total cpu time spent up to now is 15.5 secs Computing kpt #: 315 total cpu time spent up to now is 15.6 secs Computing kpt #: 316 total cpu time spent up to now is 15.6 secs Computing kpt #: 317 total cpu time spent up to now is 15.6 secs Computing kpt #: 318 total cpu time spent up to now is 15.7 secs Computing kpt #: 319 total cpu time spent up to now is 15.7 secs Computing kpt #: 320 total cpu time spent up to now is 15.7 secs Computing kpt #: 321 total cpu time spent up to now is 15.8 secs Computing kpt #: 322 total cpu time spent up to now is 15.8 secs Computing kpt #: 323 total cpu time spent up to now is 15.8 secs Computing kpt #: 324 total cpu time spent up to now is 15.9 secs Computing kpt #: 325 total cpu time spent up to now is 15.9 secs Computing kpt #: 326 total cpu time spent up to now is 15.9 secs Computing kpt #: 327 total cpu time spent up to now is 16.0 secs Computing kpt #: 328 total cpu time spent up to now is 16.0 secs Computing kpt #: 329 total cpu time spent up to now is 16.1 secs Computing kpt #: 330 total cpu time spent up to now is 16.1 secs Computing kpt #: 331 total cpu time spent up to now is 16.1 secs Computing kpt #: 332 total cpu time spent up to now is 16.2 secs Computing kpt #: 333 total cpu time spent up to now is 16.2 secs Computing kpt #: 334 total cpu time spent up to now is 16.3 secs Computing kpt #: 335 total cpu time spent up to now is 16.3 secs Computing kpt #: 336 total cpu time spent up to now is 16.4 secs Computing kpt #: 337 total cpu time spent up to now is 16.4 secs Computing kpt #: 338 total cpu time spent up to now is 16.4 secs Computing kpt #: 339 total cpu time spent up to now is 16.5 secs Computing kpt #: 340 total cpu time spent up to now is 16.5 secs Computing kpt #: 341 total cpu time spent up to now is 16.5 secs Computing kpt #: 342 total cpu time spent up to now is 16.6 secs Computing kpt #: 343 total cpu time spent up to now is 16.6 secs Computing kpt #: 344 total cpu time spent up to now is 16.7 secs Computing kpt #: 345 total cpu time spent up to now is 16.7 secs Computing kpt #: 346 total cpu time spent up to now is 16.7 secs Computing kpt #: 347 total cpu time spent up to now is 16.8 secs Computing kpt #: 348 total cpu time spent up to now is 16.8 secs Computing kpt #: 349 total cpu time spent up to now is 16.8 secs Computing kpt #: 350 total cpu time spent up to now is 16.9 secs Computing kpt #: 351 total cpu time spent up to now is 16.9 secs Computing kpt #: 352 total cpu time spent up to now is 16.9 secs Computing kpt #: 353 total cpu time spent up to now is 17.0 secs Computing kpt #: 354 total cpu time spent up to now is 17.0 secs Computing kpt #: 355 total cpu time spent up to now is 17.0 secs Computing kpt #: 356 total cpu time spent up to now is 17.1 secs Computing kpt #: 357 total cpu time spent up to now is 17.1 secs Computing kpt #: 358 total cpu time spent up to now is 17.1 secs Computing kpt #: 359 total cpu time spent up to now is 17.2 secs Computing kpt #: 360 total cpu time spent up to now is 17.2 secs Computing kpt #: 361 total cpu time spent up to now is 17.2 secs Computing kpt #: 362 total cpu time spent up to now is 17.3 secs Computing kpt #: 363 total cpu time spent up to now is 17.3 secs Computing kpt #: 364 total cpu time spent up to now is 17.3 secs Computing kpt #: 365 total cpu time spent up to now is 17.4 secs Computing kpt #: 366 total cpu time spent up to now is 17.4 secs Computing kpt #: 367 total cpu time spent up to now is 17.4 secs Computing kpt #: 368 total cpu time spent up to now is 17.5 secs Computing kpt #: 369 total cpu time spent up to now is 17.5 secs Computing kpt #: 370 total cpu time spent up to now is 17.5 secs Computing kpt #: 371 total cpu time spent up to now is 17.9 secs Computing kpt #: 372 total cpu time spent up to now is 18.0 secs Computing kpt #: 373 total cpu time spent up to now is 18.0 secs Computing kpt #: 374 total cpu time spent up to now is 18.0 secs Computing kpt #: 375 total cpu time spent up to now is 18.1 secs Computing kpt #: 376 total cpu time spent up to now is 18.1 secs Computing kpt #: 377 total cpu time spent up to now is 18.2 secs Computing kpt #: 378 total cpu time spent up to now is 18.2 secs Computing kpt #: 379 total cpu time spent up to now is 18.2 secs Computing kpt #: 380 total cpu time spent up to now is 18.3 secs Computing kpt #: 381 total cpu time spent up to now is 18.3 secs Computing kpt #: 382 total cpu time spent up to now is 18.3 secs Computing kpt #: 383 total cpu time spent up to now is 18.4 secs Computing kpt #: 384 total cpu time spent up to now is 18.4 secs Computing kpt #: 385 total cpu time spent up to now is 18.4 secs Computing kpt #: 386 total cpu time spent up to now is 18.5 secs Computing kpt #: 387 total cpu time spent up to now is 18.5 secs Computing kpt #: 388 total cpu time spent up to now is 18.5 secs Computing kpt #: 389 total cpu time spent up to now is 18.6 secs Computing kpt #: 390 total cpu time spent up to now is 18.6 secs Computing kpt #: 391 total cpu time spent up to now is 18.7 secs Computing kpt #: 392 total cpu time spent up to now is 18.7 secs Computing kpt #: 393 total cpu time spent up to now is 18.7 secs Computing kpt #: 394 total cpu time spent up to now is 18.8 secs Computing kpt #: 395 total cpu time spent up to now is 18.8 secs Computing kpt #: 396 total cpu time spent up to now is 18.8 secs Computing kpt #: 397 total cpu time spent up to now is 18.9 secs Computing kpt #: 398 total cpu time spent up to now is 18.9 secs Computing kpt #: 399 total cpu time spent up to now is 18.9 secs Computing kpt #: 400 total cpu time spent up to now is 19.0 secs Computing kpt #: 401 total cpu time spent up to now is 19.0 secs Computing kpt #: 402 total cpu time spent up to now is 19.0 secs Computing kpt #: 403 total cpu time spent up to now is 19.1 secs Computing kpt #: 404 total cpu time spent up to now is 19.1 secs Computing kpt #: 405 total cpu time spent up to now is 19.1 secs Computing kpt #: 406 total cpu time spent up to now is 19.2 secs Computing kpt #: 407 total cpu time spent up to now is 19.2 secs Computing kpt #: 408 total cpu time spent up to now is 19.2 secs Computing kpt #: 409 total cpu time spent up to now is 19.3 secs Computing kpt #: 410 total cpu time spent up to now is 19.3 secs Computing kpt #: 411 total cpu time spent up to now is 19.3 secs Computing kpt #: 412 total cpu time spent up to now is 19.4 secs Computing kpt #: 413 total cpu time spent up to now is 19.4 secs Computing kpt #: 414 total cpu time spent up to now is 19.5 secs Computing kpt #: 415 total cpu time spent up to now is 19.5 secs Computing kpt #: 416 total cpu time spent up to now is 19.5 secs Computing kpt #: 417 total cpu time spent up to now is 19.6 secs Computing kpt #: 418 total cpu time spent up to now is 19.6 secs Computing kpt #: 419 total cpu time spent up to now is 19.7 secs Computing kpt #: 420 total cpu time spent up to now is 19.7 secs Computing kpt #: 421 total cpu time spent up to now is 19.7 secs Computing kpt #: 422 total cpu time spent up to now is 19.8 secs Computing kpt #: 423 total cpu time spent up to now is 19.8 secs Computing kpt #: 424 total cpu time spent up to now is 19.8 secs Computing kpt #: 425 total cpu time spent up to now is 19.9 secs Computing kpt #: 426 total cpu time spent up to now is 19.9 secs Computing kpt #: 427 total cpu time spent up to now is 20.0 secs Computing kpt #: 428 total cpu time spent up to now is 20.0 secs Computing kpt #: 429 total cpu time spent up to now is 20.0 secs Computing kpt #: 430 total cpu time spent up to now is 20.1 secs Computing kpt #: 431 total cpu time spent up to now is 20.1 secs Computing kpt #: 432 total cpu time spent up to now is 20.2 secs Computing kpt #: 433 total cpu time spent up to now is 20.2 secs Computing kpt #: 434 total cpu time spent up to now is 20.3 secs Computing kpt #: 435 total cpu time spent up to now is 20.3 secs Computing kpt #: 436 total cpu time spent up to now is 20.3 secs Computing kpt #: 437 total cpu time spent up to now is 20.4 secs Computing kpt #: 438 total cpu time spent up to now is 20.4 secs Computing kpt #: 439 total cpu time spent up to now is 20.5 secs Computing kpt #: 440 total cpu time spent up to now is 20.5 secs Computing kpt #: 441 total cpu time spent up to now is 20.6 secs Computing kpt #: 442 total cpu time spent up to now is 20.6 secs Computing kpt #: 443 total cpu time spent up to now is 20.7 secs Computing kpt #: 444 total cpu time spent up to now is 20.8 secs Computing kpt #: 445 total cpu time spent up to now is 20.8 secs Computing kpt #: 446 total cpu time spent up to now is 20.9 secs Computing kpt #: 447 total cpu time spent up to now is 21.0 secs Computing kpt #: 448 total cpu time spent up to now is 21.0 secs Computing kpt #: 449 total cpu time spent up to now is 21.1 secs Computing kpt #: 450 total cpu time spent up to now is 21.2 secs Computing kpt #: 451 total cpu time spent up to now is 21.2 secs Computing kpt #: 452 total cpu time spent up to now is 21.3 secs Computing kpt #: 453 total cpu time spent up to now is 21.4 secs Computing kpt #: 454 total cpu time spent up to now is 21.5 secs Computing kpt #: 455 total cpu time spent up to now is 21.6 secs Computing kpt #: 456 total cpu time spent up to now is 21.6 secs Computing kpt #: 457 total cpu time spent up to now is 21.6 secs Computing kpt #: 458 total cpu time spent up to now is 21.7 secs Computing kpt #: 459 total cpu time spent up to now is 21.7 secs Computing kpt #: 460 total cpu time spent up to now is 21.8 secs Computing kpt #: 461 total cpu time spent up to now is 21.8 secs Computing kpt #: 462 total cpu time spent up to now is 21.8 secs Computing kpt #: 463 total cpu time spent up to now is 21.9 secs Computing kpt #: 464 total cpu time spent up to now is 21.9 secs Computing kpt #: 465 total cpu time spent up to now is 21.9 secs Computing kpt #: 466 total cpu time spent up to now is 22.0 secs Computing kpt #: 467 total cpu time spent up to now is 22.0 secs Computing kpt #: 468 total cpu time spent up to now is 22.0 secs Computing kpt #: 469 total cpu time spent up to now is 22.1 secs Computing kpt #: 470 total cpu time spent up to now is 22.1 secs Computing kpt #: 471 total cpu time spent up to now is 22.1 secs Computing kpt #: 472 total cpu time spent up to now is 22.1 secs Computing kpt #: 473 total cpu time spent up to now is 22.2 secs Computing kpt #: 474 total cpu time spent up to now is 22.2 secs Computing kpt #: 475 total cpu time spent up to now is 22.2 secs Computing kpt #: 476 total cpu time spent up to now is 22.3 secs Computing kpt #: 477 total cpu time spent up to now is 22.3 secs Computing kpt #: 478 total cpu time spent up to now is 22.3 secs Computing kpt #: 479 total cpu time spent up to now is 22.3 secs Computing kpt #: 480 total cpu time spent up to now is 22.4 secs Computing kpt #: 481 total cpu time spent up to now is 22.4 secs Computing kpt #: 482 total cpu time spent up to now is 22.4 secs Computing kpt #: 483 total cpu time spent up to now is 22.5 secs Computing kpt #: 484 total cpu time spent up to now is 22.5 secs Computing kpt #: 485 total cpu time spent up to now is 22.6 secs Computing kpt #: 486 total cpu time spent up to now is 22.6 secs Computing kpt #: 487 total cpu time spent up to now is 22.7 secs Computing kpt #: 488 total cpu time spent up to now is 22.7 secs Computing kpt #: 489 total cpu time spent up to now is 22.8 secs Computing kpt #: 490 total cpu time spent up to now is 22.8 secs Computing kpt #: 491 total cpu time spent up to now is 22.9 secs Computing kpt #: 492 total cpu time spent up to now is 22.9 secs Computing kpt #: 493 total cpu time spent up to now is 23.0 secs Computing kpt #: 494 total cpu time spent up to now is 23.0 secs Computing kpt #: 495 total cpu time spent up to now is 23.1 secs Computing kpt #: 496 total cpu time spent up to now is 23.1 secs Computing kpt #: 497 total cpu time spent up to now is 23.2 secs Computing kpt #: 498 total cpu time spent up to now is 23.2 secs Computing kpt #: 499 total cpu time spent up to now is 23.3 secs Computing kpt #: 500 total cpu time spent up to now is 23.3 secs Computing kpt #: 501 total cpu time spent up to now is 23.3 secs Computing kpt #: 502 total cpu time spent up to now is 23.4 secs Computing kpt #: 503 total cpu time spent up to now is 23.4 secs Computing kpt #: 504 total cpu time spent up to now is 23.5 secs Computing kpt #: 505 total cpu time spent up to now is 23.5 secs Computing kpt #: 506 total cpu time spent up to now is 23.6 secs Computing kpt #: 507 total cpu time spent up to now is 23.6 secs Computing kpt #: 508 total cpu time spent up to now is 23.6 secs Computing kpt #: 509 total cpu time spent up to now is 23.7 secs Computing kpt #: 510 total cpu time spent up to now is 23.7 secs Computing kpt #: 511 total cpu time spent up to now is 23.7 secs Computing kpt #: 512 total cpu time spent up to now is 23.8 secs Computing kpt #: 513 total cpu time spent up to now is 23.8 secs Computing kpt #: 514 total cpu time spent up to now is 23.9 secs Computing kpt #: 515 total cpu time spent up to now is 23.9 secs Computing kpt #: 516 total cpu time spent up to now is 23.9 secs Computing kpt #: 517 total cpu time spent up to now is 24.0 secs Computing kpt #: 518 total cpu time spent up to now is 24.0 secs Computing kpt #: 519 total cpu time spent up to now is 24.1 secs Computing kpt #: 520 total cpu time spent up to now is 24.1 secs Computing kpt #: 521 total cpu time spent up to now is 24.2 secs Computing kpt #: 522 total cpu time spent up to now is 24.2 secs Computing kpt #: 523 total cpu time spent up to now is 24.2 secs Computing kpt #: 524 total cpu time spent up to now is 24.3 secs Computing kpt #: 525 total cpu time spent up to now is 24.3 secs Computing kpt #: 526 total cpu time spent up to now is 24.4 secs Computing kpt #: 527 total cpu time spent up to now is 24.4 secs Computing kpt #: 528 total cpu time spent up to now is 24.5 secs Computing kpt #: 529 total cpu time spent up to now is 24.5 secs Computing kpt #: 530 total cpu time spent up to now is 24.6 secs Computing kpt #: 531 total cpu time spent up to now is 24.6 secs Computing kpt #: 532 total cpu time spent up to now is 24.7 secs Computing kpt #: 533 total cpu time spent up to now is 24.8 secs Computing kpt #: 534 total cpu time spent up to now is 24.8 secs Computing kpt #: 535 total cpu time spent up to now is 24.9 secs Computing kpt #: 536 total cpu time spent up to now is 24.9 secs Computing kpt #: 537 total cpu time spent up to now is 25.0 secs Computing kpt #: 538 total cpu time spent up to now is 25.0 secs Computing kpt #: 539 total cpu time spent up to now is 25.0 secs Computing kpt #: 540 total cpu time spent up to now is 25.1 secs Computing kpt #: 541 total cpu time spent up to now is 25.1 secs Computing kpt #: 542 total cpu time spent up to now is 25.1 secs Computing kpt #: 543 total cpu time spent up to now is 25.2 secs Computing kpt #: 544 total cpu time spent up to now is 25.2 secs Computing kpt #: 545 total cpu time spent up to now is 25.2 secs ethr = 2.50E-07, avg # of iterations = 13.3 total cpu time spent up to now is 25.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 629 PWs) bands (ev): -5.0980 -5.0980 12.0637 12.0637 12.1038 12.1038 13.8856 13.8856 15.4930 15.4930 20.2017 20.2017 k = 0.0000 0.0000 0.0096 ( 629 PWs) bands (ev): -5.0966 -5.0966 12.0385 12.0385 12.0951 12.0951 13.9113 13.9113 15.5040 15.5040 20.1986 20.1986 k = 0.0000 0.0000 0.0193 ( 629 PWs) bands (ev): -5.0924 -5.0924 11.9454 11.9454 12.0928 12.0928 13.9815 13.9815 15.5375 15.5375 20.1894 20.1894 k = 0.0000 0.0000 0.0289 ( 629 PWs) bands (ev): -5.0855 -5.0855 11.7991 11.7991 12.0967 12.0967 14.0803 14.0803 15.5950 15.5950 20.1742 20.1742 k = 0.0000 0.0000 0.0386 ( 629 PWs) bands (ev): -5.0759 -5.0759 11.6173 11.6173 12.1036 12.1036 14.1913 14.1913 15.6781 15.6781 20.1533 20.1533 k = 0.0000 0.0000 0.0482 ( 633 PWs) bands (ev): -5.0635 -5.0635 11.4119 11.4119 12.1129 12.1129 14.3018 14.3018 15.7881 15.7881 20.1270 20.1270 k = 0.0000 0.0000 0.0578 ( 633 PWs) bands (ev): -5.0483 -5.0483 11.1908 11.1908 12.1244 12.1244 14.4043 14.4043 15.9248 15.9248 20.0956 20.0956 k = 0.0000 0.0000 0.0675 ( 631 PWs) bands (ev): -5.0304 -5.0304 10.9589 10.9589 12.1381 12.1381 14.4954 14.4954 16.0863 16.0863 20.0595 20.0595 k = 0.0000 0.0000 0.0771 ( 631 PWs) bands (ev): -5.0098 -5.0098 10.7198 10.7198 12.1539 12.1539 14.5749 14.5749 16.2692 16.2692 20.0192 20.0192 k = 0.0000 0.0000 0.0867 ( 627 PWs) bands (ev): -4.9864 -4.9864 10.4758 10.4758 12.1717 12.1717 14.6442 14.6442 16.4694 16.4694 19.9752 19.9752 k = 0.0000 0.0000 0.0964 ( 627 PWs) bands (ev): -4.9603 -4.9603 10.2286 10.2286 12.1917 12.1917 14.7055 14.7055 16.6827 16.6827 19.9278 19.9278 k = 0.0000 0.0000 0.1060 ( 623 PWs) bands (ev): -4.9315 -4.9315 9.9792 9.9792 12.2137 12.2137 14.7610 14.7610 16.9056 16.9056 19.8776 19.8776 k = 0.0000 0.0000 0.1157 ( 623 PWs) bands (ev): -4.8999 -4.8999 9.7286 9.7286 12.2377 12.2377 14.8123 14.8123 17.1348 17.1348 19.8250 19.8250 k = 0.0000 0.0000 0.1253 ( 627 PWs) bands (ev): -4.8657 -4.8657 9.4774 9.4774 12.2638 12.2638 14.8609 14.8609 17.3679 17.3679 19.7703 19.7703 k = 0.0000 0.0000 0.1349 ( 631 PWs) bands (ev): -4.8287 -4.8287 9.2262 9.2262 12.2918 12.2918 14.9079 14.9079 17.6027 17.6027 19.7139 19.7139 k = 0.0000 0.0000 0.1446 ( 631 PWs) bands (ev): -4.7891 -4.7891 8.9753 8.9753 12.3218 12.3218 14.9541 14.9541 17.8373 17.8373 19.6563 19.6563 k = 0.0000 0.0000 0.1542 ( 629 PWs) bands (ev): -4.7468 -4.7468 8.7252 8.7252 12.3538 12.3538 15.0000 15.0000 18.0703 18.0703 19.5976 19.5976 k = 0.0000 0.0000 0.1638 ( 625 PWs) bands (ev): -4.7018 -4.7018 8.4761 8.4761 12.3877 12.3877 15.0461 15.0461 18.3000 18.3000 19.5383 19.5383 k = 0.0000 0.0000 0.1735 ( 625 PWs) bands (ev): -4.6542 -4.6542 8.2282 8.2282 12.4234 12.4234 15.0928 15.0928 18.5253 18.5253 19.4786 19.4786 k = 0.0000 0.0000 0.1831 ( 625 PWs) bands (ev): -4.6040 -4.6040 7.9818 7.9818 12.4610 12.4610 15.1403 15.1403 18.7449 18.7449 19.4188 19.4188 k = 0.0000 0.0000 0.1928 ( 621 PWs) bands (ev): -4.5512 -4.5512 7.7369 7.7369 12.5003 12.5003 15.1887 15.1887 18.9576 18.9576 19.3591 19.3591 k = 0.0000 0.0000 0.2024 ( 621 PWs) bands (ev): -4.4958 -4.4958 7.4938 7.4938 12.5415 12.5415 15.2382 15.2382 19.1616 19.1616 19.3006 19.3006 k = 0.0000 0.0000 0.2120 ( 621 PWs) bands (ev): -4.4378 -4.4378 7.2526 7.2526 12.5843 12.5843 15.2887 15.2887 19.2379 19.2379 19.3613 19.3613 k = 0.0000 0.0000 0.2217 ( 617 PWs) bands (ev): -4.3773 -4.3773 7.0134 7.0134 12.6288 12.6288 15.3405 15.3405 19.1805 19.1805 19.5467 19.5467 k = 0.0000 0.0000 0.2313 ( 619 PWs) bands (ev): -4.3143 -4.3143 6.7764 6.7764 12.6749 12.6749 15.3934 15.3934 19.1228 19.1228 19.7226 19.7226 k = 0.0000 0.0000 0.2409 ( 619 PWs) bands (ev): -4.2488 -4.2488 6.5416 6.5416 12.7226 12.7226 15.4475 15.4475 19.0659 19.0659 19.8877 19.8877 k = 0.0000 0.0000 0.2506 ( 619 PWs) bands (ev): -4.1809 -4.1809 6.3091 6.3091 12.7717 12.7717 15.5028 15.5028 19.0099 19.0099 20.0414 20.0414 k = 0.0000 0.0000 0.2602 ( 619 PWs) bands (ev): -4.1105 -4.1105 6.0791 6.0791 12.8222 12.8222 15.5592 15.5592 18.9550 18.9550 20.1835 20.1835 k = 0.0000 0.0000 0.2699 ( 619 PWs) bands (ev): -4.0378 -4.0378 5.8516 5.8516 12.8741 12.8741 15.6166 15.6166 18.9013 18.9013 20.3139 20.3139 k = 0.0000 0.0000 0.2795 ( 623 PWs) bands (ev): -3.9629 -3.9629 5.6267 5.6267 12.9271 12.9271 15.6749 15.6749 18.8488 18.8488 20.4329 20.4329 k = 0.0000 0.0000 0.2891 ( 623 PWs) bands (ev): -3.8856 -3.8856 5.4046 5.4046 12.9814 12.9814 15.7342 15.7342 18.7977 18.7977 20.5407 20.5407 k = 0.0000 0.0000 0.2988 ( 623 PWs) bands (ev): -3.8062 -3.8062 5.1853 5.1853 13.0366 13.0366 15.7942 15.7942 18.7480 18.7480 20.6380 20.6380 k = 0.0000 0.0000 0.3084 ( 623 PWs) bands (ev): -3.7247 -3.7247 4.9690 4.9690 13.0928 13.0928 15.8549 15.8549 18.6998 18.6998 20.7253 20.7253 k = 0.0000 0.0000 0.3180 ( 619 PWs) bands (ev): -3.6411 -3.6411 4.7557 4.7557 13.1498 13.1498 15.9160 15.9160 18.6532 18.6532 20.8035 20.8035 k = 0.0000 0.0000 0.3277 ( 619 PWs) bands (ev): -3.5556 -3.5556 4.5456 4.5456 13.2074 13.2074 15.9776 15.9776 18.6081 18.6081 20.8734 20.8734 k = 0.0000 0.0000 0.3373 ( 619 PWs) bands (ev): -3.4683 -3.4683 4.3389 4.3389 13.2655 13.2655 16.0394 16.0394 18.5647 18.5647 20.9359 20.9359 k = 0.0000 0.0000 0.3470 ( 623 PWs) bands (ev): -3.3792 -3.3792 4.1355 4.1355 13.3240 13.3240 16.1012 16.1012 18.5230 18.5230 20.9919 20.9919 k = 0.0000 0.0000 0.3566 ( 621 PWs) bands (ev): -3.2886 -3.2886 3.9358 3.9358 13.3826 13.3826 16.1628 16.1628 18.4830 18.4830 21.0423 21.0423 k = 0.0000 0.0000 0.3662 ( 619 PWs) bands (ev): -3.1966 -3.1966 3.7400 3.7400 13.4412 13.4412 16.2241 16.2241 18.4448 18.4448 21.0336 21.0336 k = 0.0000 0.0000 0.3759 ( 623 PWs) bands (ev): -3.1034 -3.1034 3.5481 3.5481 13.4995 13.4995 16.2848 16.2848 18.4084 18.4084 20.8998 20.8998 k = 0.0000 0.0000 0.3855 ( 627 PWs) bands (ev): -3.0091 -3.0091 3.3605 3.3605 13.5574 13.5574 16.3447 16.3447 18.3738 18.3738 20.7702 20.7702 k = 0.0000 0.0000 0.3951 ( 631 PWs) bands (ev): -2.9142 -2.9142 3.1773 3.1773 13.6145 13.6145 16.4035 16.4035 18.3411 18.3411 20.6451 20.6451 k = 0.0000 0.0000 0.4048 ( 631 PWs) bands (ev): -2.8187 -2.8187 2.9991 2.9991 13.6707 13.6707 16.4609 16.4609 18.3102 18.3102 20.5249 20.5249 k = 0.0000 0.0000 0.4144 ( 633 PWs) bands (ev): -2.7233 -2.7233 2.8260 2.8260 13.7255 13.7255 16.5167 16.5167 18.2813 18.2813 20.4098 20.4098 k = 0.0000 0.0000 0.4241 ( 637 PWs) bands (ev): -2.6281 -2.6281 2.6586 2.6586 13.7788 13.7788 16.5705 16.5705 18.2542 18.2542 20.3002 20.3002 k = 0.0000 0.0000 0.4337 ( 637 PWs) bands (ev): -2.5338 -2.5338 2.4974 2.4974 13.8302 13.8302 16.6222 16.6222 18.2292 18.2292 20.1965 20.1965 k = 0.0000 0.0000 0.4433 ( 637 PWs) bands (ev): -2.4409 -2.4409 2.3429 2.3429 13.8794 13.8794 16.6712 16.6712 18.2060 18.2060 20.0991 20.0991 k = 0.0000 0.0000 0.4530 ( 637 PWs) bands (ev): -2.3501 -2.3501 2.1958 2.1958 13.9259 13.9259 16.7174 16.7174 18.1849 18.1849 20.0084 20.0084 k = 0.0000 0.0000 0.4626 ( 637 PWs) bands (ev): -2.2622 -2.2622 2.0570 2.0570 13.9695 13.9695 16.7604 16.7604 18.1657 18.1657 19.9247 19.9247 k = 0.0000 0.0000 0.4722 ( 635 PWs) bands (ev): -2.1783 -2.1783 1.9274 1.9274 14.0098 14.0098 16.7999 16.7999 18.1485 18.1485 19.8485 19.8485 k = 0.0000 0.0000 0.4819 ( 635 PWs) bands (ev): -2.0993 -2.0993 1.8082 1.8082 14.0464 14.0464 16.8356 16.8356 18.1333 18.1333 19.7801 19.7801 k = 0.0000 0.0000 0.4915 ( 631 PWs) bands (ev): -2.0266 -2.0266 1.7006 1.7006 14.0790 14.0790 16.8672 16.8672 18.1201 18.1201 19.7200 19.7200 k = 0.0000 0.0000 0.5012 ( 631 PWs) bands (ev): -1.9614 -1.9614 1.6059 1.6059 14.1072 14.1072 16.8945 16.8945 18.1090 18.1090 19.6684 19.6684 k = 0.0000 0.0000 0.5108 ( 631 PWs) bands (ev): -1.9053 -1.9053 1.5256 1.5256 14.1308 14.1308 16.9171 16.9171 18.0998 18.0998 19.6257 19.6257 k = 0.0000 0.0000 0.5204 ( 631 PWs) bands (ev): -1.8597 -1.8597 1.4612 1.4612 14.1494 14.1494 16.9350 16.9350 18.0927 18.0927 19.5922 19.5922 k = 0.0000 0.0000 0.5301 ( 631 PWs) bands (ev): -1.8260 -1.8260 1.4141 1.4141 14.1628 14.1628 16.9478 16.9478 18.0876 18.0876 19.5681 19.5681 k = 0.0000 0.0000 0.5397 ( 628 PWs) bands (ev): -1.8053 -1.8053 1.3853 1.3853 14.1710 14.1710 16.9556 16.9556 18.0846 18.0846 19.5536 19.5536 k = 0.0000 0.0000 0.5493 ( 628 PWs) bands (ev): -1.7983 -1.7983 1.3757 1.3757 14.1737 14.1737 16.9582 16.9582 18.0835 18.0835 19.5487 19.5487 k = 0.0000 0.0000 0.5493 ( 628 PWs) bands (ev): -1.7983 -1.7983 1.3757 1.3757 14.1737 14.1737 16.9582 16.9582 18.0835 18.0835 19.5487 19.5487 k =-0.0088 0.0040 0.5493 ( 632 PWs) bands (ev): -1.7970 -1.7970 1.3769 1.3769 14.1524 14.1524 16.9751 16.9751 18.0802 18.0802 19.5121 19.5121 k =-0.0175 0.0080 0.5493 ( 632 PWs) bands (ev): -1.7928 -1.7928 1.3808 1.3808 14.0904 14.0904 17.0240 17.0240 18.0703 18.0703 19.4081 19.4081 k =-0.0263 0.0120 0.5493 ( 632 PWs) bands (ev): -1.7858 -1.7858 1.3871 1.3871 13.9920 13.9920 17.1002 17.1002 18.0541 18.0541 19.2507 19.2507 k =-0.0351 0.0160 0.5493 ( 634 PWs) bands (ev): -1.7761 -1.7761 1.3961 1.3961 13.8632 13.8632 17.1972 17.1972 18.0316 18.0316 19.0549 19.0549 k =-0.0439 0.0200 0.5493 ( 634 PWs) bands (ev): -1.7637 -1.7637 1.4076 1.4076 13.7099 13.7099 17.3085 17.3085 18.0033 18.0033 18.8329 18.8329 k =-0.0526 0.0240 0.5493 ( 634 PWs) bands (ev): -1.7484 -1.7484 1.4216 1.4216 13.5375 13.5375 17.4279 17.4279 17.9696 17.9696 18.5936 18.5936 k =-0.0614 0.0279 0.5493 ( 634 PWs) bands (ev): -1.7304 -1.7304 1.4381 1.4381 13.3503 13.3503 17.5503 17.5503 17.9310 17.9310 18.3428 18.3428 k =-0.0702 0.0319 0.5493 ( 634 PWs) bands (ev): -1.7096 -1.7096 1.4572 1.4572 13.1517 13.1517 17.6711 17.6711 17.8879 17.8879 18.0847 18.0847 k =-0.0789 0.0359 0.5493 ( 634 PWs) bands (ev): -1.6861 -1.6861 1.4788 1.4788 12.9444 12.9444 17.7851 17.7851 17.8203 17.8203 17.8445 17.8445 k =-0.0877 0.0399 0.5493 ( 638 PWs) bands (ev): -1.6598 -1.6598 1.5029 1.5029 12.7305 12.7305 17.5558 17.5558 17.7885 17.7885 17.8979 17.8979 k =-0.0965 0.0439 0.5493 ( 638 PWs) bands (ev): -1.6307 -1.6307 1.5295 1.5295 12.5116 12.5116 17.2889 17.2889 17.7352 17.7352 17.9960 17.9960 k =-0.1053 0.0479 0.5493 ( 640 PWs) bands (ev): -1.5989 -1.5989 1.5586 1.5586 12.2888 12.2888 17.0215 17.0215 17.6789 17.6789 18.0834 18.0834 k =-0.1140 0.0519 0.5493 ( 640 PWs) bands (ev): -1.5644 -1.5644 1.5901 1.5901 12.0633 12.0633 16.7545 16.7545 17.6204 17.6204 18.1587 18.1587 k =-0.1228 0.0559 0.5493 ( 640 PWs) bands (ev): -1.5272 -1.5272 1.6241 1.6241 11.8357 11.8357 16.4883 16.4883 17.5600 17.5600 18.2216 18.2216 k =-0.1316 0.0599 0.5493 ( 640 PWs) bands (ev): -1.4872 -1.4872 1.6606 1.6606 11.6068 11.6068 16.2234 16.2234 17.4982 17.4982 18.2720 18.2720 k =-0.1404 0.0639 0.5493 ( 636 PWs) bands (ev): -1.4445 -1.4445 1.6995 1.6995 11.3771 11.3771 15.9601 15.9601 17.4354 17.4354 18.3105 18.3105 k =-0.1491 0.0679 0.5493 ( 636 PWs) bands (ev): -1.3992 -1.3992 1.7407 1.7407 11.1469 11.1469 15.6988 15.6988 17.3719 17.3719 18.3379 18.3379 k =-0.1579 0.0719 0.5493 ( 636 PWs) bands (ev): -1.3511 -1.3511 1.7843 1.7843 10.9168 10.9168 15.4396 15.4396 17.3079 17.3079 18.3549 18.3549 k =-0.1667 0.0758 0.5493 ( 636 PWs) bands (ev): -1.3004 -1.3004 1.8303 1.8303 10.6869 10.6869 15.1827 15.1827 17.2438 17.2438 18.3628 18.3628 k =-0.1754 0.0798 0.5493 ( 640 PWs) bands (ev): -1.2470 -1.2470 1.8785 1.8785 10.4575 10.4575 14.9284 14.9284 17.1797 17.1797 18.3625 18.3625 k =-0.1842 0.0838 0.5493 ( 640 PWs) bands (ev): -1.1910 -1.1910 1.9291 1.9291 10.2290 10.2290 14.6767 14.6767 17.1158 17.1158 18.3551 18.3551 k =-0.1930 0.0878 0.5493 ( 642 PWs) bands (ev): -1.1324 -1.1324 1.9819 1.9819 10.0014 10.0014 14.4278 14.4278 17.0525 17.0525 18.3416 18.3416 k =-0.2018 0.0918 0.5493 ( 642 PWs) bands (ev): -1.0711 -1.0711 2.0368 2.0368 9.7750 9.7750 14.1817 14.1817 16.9897 16.9897 18.3229 18.3229 k =-0.2105 0.0958 0.5493 ( 642 PWs) bands (ev): -1.0073 -1.0073 2.0940 2.0940 9.5500 9.5500 13.9388 13.9388 16.9278 16.9278 18.2999 18.2999 k =-0.2193 0.0998 0.5493 ( 642 PWs) bands (ev): -0.9409 -0.9409 2.1532 2.1532 9.3264 9.3264 13.6989 13.6989 16.8668 16.8668 18.2732 18.2732 k =-0.2281 0.1038 0.5493 ( 642 PWs) bands (ev): -0.8720 -0.8720 2.2145 2.2145 9.1045 9.1045 13.4622 13.4622 16.8068 16.8068 18.2435 18.2435 k =-0.2368 0.1078 0.5493 ( 642 PWs) bands (ev): -0.8005 -0.8005 2.2777 2.2777 8.8843 8.8843 13.2289 13.2289 16.7480 16.7480 18.2115 18.2115 k =-0.2456 0.1118 0.5493 ( 642 PWs) bands (ev): -0.7266 -0.7266 2.3429 2.3429 8.6660 8.6660 12.9991 12.9991 16.6905 16.6905 18.1777 18.1777 k =-0.2544 0.1158 0.5493 ( 642 PWs) bands (ev): -0.6503 -0.6503 2.4099 2.4099 8.4497 8.4497 12.7728 12.7728 16.6344 16.6344 18.1425 18.1425 k =-0.2632 0.1198 0.5493 ( 644 PWs) bands (ev): -0.5716 -0.5716 2.4786 2.4786 8.2354 8.2354 12.5501 12.5501 16.5797 16.5797 18.1064 18.1064 k =-0.2719 0.1238 0.5493 ( 644 PWs) bands (ev): -0.4905 -0.4905 2.5490 2.5490 8.0234 8.0234 12.3313 12.3313 16.5265 16.5265 18.0696 18.0696 k =-0.2807 0.1277 0.5493 ( 644 PWs) bands (ev): -0.4072 -0.4072 2.6210 2.6210 7.8137 7.8137 12.1164 12.1164 16.4750 16.4750 18.0326 18.0326 k =-0.2895 0.1317 0.5493 ( 644 PWs) bands (ev): -0.3216 -0.3216 2.6943 2.6943 7.6064 7.6064 11.9055 11.9055 16.4250 16.4250 17.9955 17.9955 k =-0.2982 0.1357 0.5493 ( 640 PWs) bands (ev): -0.2338 -0.2338 2.7690 2.7690 7.4016 7.4016 11.6989 11.6989 16.3769 16.3769 17.9587 17.9587 k =-0.3070 0.1397 0.5493 ( 634 PWs) bands (ev): -0.1440 -0.1440 2.8448 2.8448 7.1995 7.1995 11.4966 11.4966 16.3304 16.3304 17.9224 17.9224 k =-0.3158 0.1437 0.5493 ( 634 PWs) bands (ev): -0.0521 -0.0521 2.9216 2.9216 7.0002 7.0002 11.2989 11.2989 16.2858 16.2858 17.8866 17.8866 k =-0.3246 0.1477 0.5493 ( 634 PWs) bands (ev): 0.0416 0.0416 2.9992 2.9992 6.8038 6.8038 11.1060 11.1060 16.2430 16.2430 17.8518 17.8518 k =-0.3333 0.1517 0.5493 ( 634 PWs) bands (ev): 0.1371 0.1371 3.0773 3.0773 6.6105 6.6105 10.9181 10.9181 16.2022 16.2022 17.8178 17.8178 k =-0.3421 0.1557 0.5493 ( 634 PWs) bands (ev): 0.2342 0.2342 3.1558 3.1558 6.4204 6.4204 10.7354 10.7354 16.1632 16.1632 17.7850 17.7850 k =-0.3509 0.1597 0.5493 ( 638 PWs) bands (ev): 0.3328 0.3328 3.2343 3.2343 6.2338 6.2338 10.5582 10.5582 16.1262 16.1262 17.7535 17.7535 k =-0.3596 0.1637 0.5493 ( 638 PWs) bands (ev): 0.4326 0.4326 3.3126 3.3126 6.0509 6.0509 10.3869 10.3869 16.0912 16.0912 17.7232 17.7232 k =-0.3684 0.1677 0.5493 ( 638 PWs) bands (ev): 0.5334 0.5334 3.3903 3.3903 5.8719 5.8719 10.2217 10.2217 16.0582 16.0582 17.6944 17.6944 k =-0.3772 0.1717 0.5493 ( 638 PWs) bands (ev): 0.6349 0.6349 3.4671 3.4671 5.6972 5.6972 10.0631 10.0631 16.0272 16.0272 17.6672 17.6672 k =-0.3860 0.1756 0.5493 ( 632 PWs) bands (ev): 0.7367 0.7367 3.5425 3.5425 5.5271 5.5271 9.9115 9.9115 15.9983 15.9983 17.6415 17.6415 k =-0.3947 0.1796 0.5493 ( 632 PWs) bands (ev): 0.8385 0.8385 3.6161 3.6161 5.3621 5.3621 9.7673 9.7673 15.9715 15.9715 17.6175 17.6175 k =-0.4035 0.1836 0.5493 ( 628 PWs) bands (ev): 0.9397 0.9397 3.6873 3.6873 5.2027 5.2027 9.6311 9.6311 15.9467 15.9467 17.5952 17.5952 k =-0.4123 0.1876 0.5493 ( 628 PWs) bands (ev): 1.0396 1.0396 3.7556 3.7556 5.0496 5.0496 9.5035 9.5035 15.9241 15.9241 17.5746 17.5746 k =-0.4211 0.1916 0.5493 ( 628 PWs) bands (ev): 1.1374 1.1374 3.8203 3.8203 4.9036 4.9036 9.3851 9.3851 15.9035 15.9035 17.5559 17.5559 k =-0.4298 0.1956 0.5493 ( 628 PWs) bands (ev): 1.2321 1.2321 3.8809 3.8809 4.7658 4.7658 9.2764 9.2764 15.8851 15.8852 17.5391 17.5391 k =-0.4386 0.1996 0.5493 ( 628 PWs) bands (ev): 1.3226 1.3226 3.9366 3.9366 4.6373 4.6373 9.1783 9.1783 15.8689 15.8689 17.5242 17.5242 k =-0.4474 0.2036 0.5493 ( 624 PWs) bands (ev): 1.4073 1.4073 3.9867 3.9867 4.5196 4.5196 9.0913 9.0913 15.8548 15.8548 17.5112 17.5112 k =-0.4561 0.2076 0.5493 ( 628 PWs) bands (ev): 1.4845 1.4845 4.0306 4.0306 4.4146 4.4146 9.0163 9.0163 15.8428 15.8428 17.5001 17.5001 k =-0.4649 0.2116 0.5493 ( 628 PWs) bands (ev): 1.5521 1.5521 4.0675 4.0675 4.3242 4.3242 8.9538 8.9538 15.8331 15.8331 17.4911 17.4911 k =-0.4737 0.2156 0.5493 ( 628 PWs) bands (ev): 1.6080 1.6080 4.0966 4.0966 4.2509 4.2509 8.9045 8.9045 15.8254 15.8254 17.4840 17.4840 k =-0.4825 0.2196 0.5493 ( 632 PWs) bands (ev): 1.6500 1.6500 4.1173 4.1173 4.1970 4.1970 8.8688 8.8688 15.8200 15.8200 17.4789 17.4789 k =-0.4912 0.2236 0.5493 ( 630 PWs) bands (ev): 1.6760 1.6760 4.1281 4.1281 4.1656 4.1656 8.8473 8.8473 15.8167 15.8167 17.4759 17.4759 k =-0.5000 0.2275 0.5493 ( 630 PWs) bands (ev): 1.6849 1.6849 4.1299 4.1299 4.1567 4.1567 8.8401 8.8401 15.8156 15.8156 17.4749 17.4749 k =-0.5000 0.2275 0.5493 ( 630 PWs) bands (ev): 1.6849 1.6849 4.1299 4.1299 4.1567 4.1567 8.8401 8.8401 15.8156 15.8156 17.4749 17.4749 k =-0.4938 0.2247 0.5426 ( 630 PWs) bands (ev): 1.6761 1.6761 4.1333 4.1333 4.1604 4.1604 8.8472 8.8472 15.8167 15.8167 17.4759 17.4759 k =-0.4877 0.2219 0.5358 ( 634 PWs) bands (ev): 1.6499 1.6499 4.1414 4.1414 4.1729 4.1729 8.8686 8.8686 15.8200 15.8200 17.4789 17.4789 k =-0.4815 0.2191 0.5290 ( 630 PWs) bands (ev): 1.6073 1.6073 4.1513 4.1513 4.1966 4.1966 8.9042 8.9042 15.8254 15.8254 17.4839 17.4839 k =-0.4753 0.2163 0.5222 ( 630 PWs) bands (ev): 1.5496 1.5496 4.1624 4.1624 4.2309 4.2309 8.9538 8.9538 15.8329 15.8329 17.4909 17.4909 k =-0.4691 0.2135 0.5154 ( 630 PWs) bands (ev): 1.4782 1.4782 4.1755 4.1755 4.2738 4.2738 9.0171 9.0171 15.8426 15.8426 17.4999 17.4999 k =-0.4630 0.2107 0.5087 ( 626 PWs) bands (ev): 1.3948 1.3948 4.1909 4.1909 4.3236 4.3236 9.0938 9.0938 15.8544 15.8544 17.5109 17.5109 k =-0.4568 0.2079 0.5019 ( 630 PWs) bands (ev): 1.3012 1.3012 4.2089 4.2089 4.3786 4.3786 9.1835 9.1835 15.8684 15.8684 17.5238 17.5238 k =-0.4506 0.2051 0.4951 ( 630 PWs) bands (ev): 1.1987 1.1987 4.2294 4.2294 4.4379 4.4379 9.2859 9.2859 15.8846 15.8846 17.5387 17.5387 k =-0.4444 0.2023 0.4883 ( 630 PWs) bands (ev): 1.0889 1.0889 4.2526 4.2526 4.5003 4.5003 9.4004 9.4004 15.9028 15.9028 17.5554 17.5554 k =-0.4383 0.1995 0.4815 ( 630 PWs) bands (ev): 0.9729 0.9729 4.2785 4.2785 4.5652 4.5652 9.5266 9.5266 15.9232 15.9232 17.5741 17.5741 k =-0.4321 0.1966 0.4747 ( 634 PWs) bands (ev): 0.8518 0.8518 4.3070 4.3070 4.6319 4.6319 9.6640 9.6640 15.9458 15.9458 17.5946 17.5946 k =-0.4259 0.1938 0.4680 ( 634 PWs) bands (ev): 0.7265 0.7265 4.3383 4.3383 4.7000 4.7000 9.8120 9.8120 15.9704 15.9704 17.6170 17.6170 k =-0.4198 0.1910 0.4612 ( 632 PWs) bands (ev): 0.5978 0.5978 4.3722 4.3722 4.7692 4.7692 9.9701 9.9701 15.9971 15.9971 17.6411 17.6412 k =-0.4136 0.1882 0.4544 ( 632 PWs) bands (ev): 0.4665 0.4665 4.4088 4.4088 4.8394 4.8394 10.1378 10.1378 16.0260 16.0260 17.6671 17.6671 k =-0.4074 0.1854 0.4476 ( 632 PWs) bands (ev): 0.3330 0.3330 4.4481 4.4481 4.9104 4.9104 10.3146 10.3146 16.0569 16.0569 17.6947 17.6947 k =-0.4012 0.1826 0.4408 ( 632 PWs) bands (ev): 0.1980 0.1980 4.4902 4.4902 4.9822 4.9822 10.4999 10.4999 16.0899 16.0899 17.7239 17.7239 k =-0.3951 0.1798 0.4340 ( 632 PWs) bands (ev): 0.0619 0.0619 4.5349 4.5349 5.0548 5.0548 10.6934 10.6934 16.1250 16.1250 17.7548 17.7548 k =-0.3889 0.1770 0.4273 ( 632 PWs) bands (ev): -0.0750 -0.0750 4.5823 4.5823 5.1283 5.1283 10.8944 10.8944 16.1621 16.1621 17.7872 17.7872 k =-0.3827 0.1742 0.4205 ( 632 PWs) bands (ev): -0.2122 -0.2122 4.6325 4.6325 5.2027 5.2027 11.1026 11.1026 16.2012 16.2012 17.8211 17.8211 k =-0.3765 0.1714 0.4137 ( 632 PWs) bands (ev): -0.3495 -0.3495 4.6853 4.6853 5.2781 5.2781 11.3177 11.3177 16.2424 16.2424 17.8564 17.8564 k =-0.3704 0.1686 0.4069 ( 634 PWs) bands (ev): -0.4867 -0.4867 4.7408 4.7408 5.3546 5.3546 11.5391 11.5391 16.2856 16.2856 17.8930 17.8930 k =-0.3642 0.1657 0.4001 ( 636 PWs) bands (ev): -0.6234 -0.6234 4.7990 4.7990 5.4322 5.4322 11.7666 11.7666 16.3307 16.3307 17.9309 17.9309 k =-0.3580 0.1629 0.3934 ( 636 PWs) bands (ev): -0.7595 -0.7595 4.8599 4.8599 5.5111 5.5111 11.9998 11.9998 16.3779 16.3779 17.9699 17.9699 k =-0.3519 0.1601 0.3866 ( 638 PWs) bands (ev): -0.8948 -0.8948 4.9235 4.9235 5.5914 5.5914 12.2384 12.2384 16.4270 16.4270 18.0099 18.0099 k =-0.3457 0.1573 0.3798 ( 640 PWs) bands (ev): -1.0291 -1.0291 4.9898 4.9898 5.6732 5.6732 12.4822 12.4822 16.4780 16.4780 18.0509 18.0509 k =-0.3395 0.1545 0.3730 ( 640 PWs) bands (ev): -1.1623 -1.1623 5.0588 5.0588 5.7564 5.7564 12.7308 12.7308 16.5309 16.5309 18.0926 18.0926 k =-0.3333 0.1517 0.3662 ( 640 PWs) bands (ev): -1.2943 -1.2943 5.1304 5.1304 5.8413 5.8413 12.9839 12.9839 16.5856 16.5856 18.1350 18.1350 k =-0.3272 0.1489 0.3594 ( 640 PWs) bands (ev): -1.4248 -1.4248 5.2047 5.2047 5.9278 5.9278 13.2414 13.2414 16.6423 16.6423 18.1779 18.1779 k =-0.3210 0.1461 0.3527 ( 640 PWs) bands (ev): -1.5539 -1.5539 5.2818 5.2818 6.0161 6.0161 13.5031 13.5031 16.7007 16.7007 18.2211 18.2211 k =-0.3148 0.1433 0.3459 ( 642 PWs) bands (ev): -1.6814 -1.6814 5.3614 5.3614 6.1061 6.1061 13.7687 13.7687 16.7610 16.7610 18.2645 18.2645 k =-0.3086 0.1405 0.3391 ( 646 PWs) bands (ev): -1.8071 -1.8071 5.4438 5.4438 6.1980 6.1980 14.0379 14.0379 16.8230 16.8230 18.3078 18.3078 k =-0.3025 0.1377 0.3323 ( 646 PWs) bands (ev): -1.9312 -1.9312 5.5288 5.5288 6.2918 6.2918 14.3107 14.3107 16.8867 16.8867 18.3509 18.3509 k =-0.2963 0.1348 0.3255 ( 646 PWs) bands (ev): -2.0534 -2.0534 5.6165 5.6165 6.3874 6.3874 14.5868 14.5868 16.9521 16.9521 18.3934 18.3934 k =-0.2901 0.1320 0.3188 ( 646 PWs) bands (ev): -2.1737 -2.1737 5.7068 5.7068 6.4851 6.4851 14.8661 14.8661 17.0192 17.0192 18.4353 18.4353 k =-0.2840 0.1292 0.3120 ( 646 PWs) bands (ev): -2.2920 -2.2920 5.7998 5.7998 6.5847 6.5847 15.1483 15.1483 17.0879 17.0879 18.4761 18.4761 k =-0.2778 0.1264 0.3052 ( 646 PWs) bands (ev): -2.4083 -2.4083 5.8955 5.8955 6.6863 6.6863 15.4333 15.4333 17.1582 17.1582 18.5155 18.5155 k =-0.2716 0.1236 0.2984 ( 646 PWs) bands (ev): -2.5225 -2.5225 5.9938 5.9938 6.7899 6.7899 15.7209 15.7209 17.2300 17.2300 18.5533 18.5533 k =-0.2654 0.1208 0.2916 ( 646 PWs) bands (ev): -2.6346 -2.6346 6.0947 6.0947 6.8955 6.8955 16.0108 16.0108 17.3032 17.3032 18.5892 18.5892 k =-0.2593 0.1180 0.2848 ( 646 PWs) bands (ev): -2.7445 -2.7445 6.1983 6.1983 7.0032 7.0032 16.3029 16.3029 17.3779 17.3779 18.6227 18.6227 k =-0.2531 0.1152 0.2781 ( 638 PWs) bands (ev): -2.8522 -2.8522 6.3045 6.3045 7.1129 7.1129 16.5968 16.5968 17.4540 17.4540 18.6536 18.6536 k =-0.2469 0.1124 0.2713 ( 638 PWs) bands (ev): -2.9577 -2.9577 6.4133 6.4133 7.2247 7.2247 16.8922 16.8922 17.5314 17.5314 18.6814 18.6814 k =-0.2407 0.1096 0.2645 ( 638 PWs) bands (ev): -3.0609 -3.0609 6.5247 6.5247 7.3385 7.3385 17.1887 17.1887 17.6100 17.6100 18.7062 18.7062 k =-0.2346 0.1067 0.2577 ( 638 PWs) bands (ev): -3.1617 -3.1617 6.6388 6.6388 7.4543 7.4543 17.4851 17.4851 17.6902 17.6902 18.7278 18.7278 k =-0.2284 0.1039 0.2509 ( 640 PWs) bands (ev): -3.2603 -3.2603 6.7554 6.7554 7.5722 7.5722 17.7615 17.7615 17.7903 17.7903 18.7470 18.7470 k =-0.2222 0.1011 0.2442 ( 640 PWs) bands (ev): -3.3564 -3.3564 6.8746 6.8746 7.6920 7.6920 17.8512 17.8512 18.0733 18.0733 18.7667 18.7667 k =-0.2160 0.0983 0.2374 ( 642 PWs) bands (ev): -3.4501 -3.4501 6.9964 6.9964 7.8139 7.8139 17.9343 17.9343 18.3469 18.3469 18.7983 18.7983 k =-0.2099 0.0955 0.2306 ( 638 PWs) bands (ev): -3.5414 -3.5414 7.1207 7.1207 7.9377 7.9377 18.0180 18.0180 18.5551 18.5551 18.8896 18.8896 k =-0.2037 0.0927 0.2238 ( 638 PWs) bands (ev): -3.6303 -3.6303 7.2476 7.2476 8.0634 8.0634 18.1024 18.1024 18.6342 18.6342 19.1034 19.1034 k =-0.1975 0.0899 0.2170 ( 634 PWs) bands (ev): -3.7167 -3.7167 7.3771 7.3771 8.1910 8.1910 18.1874 18.1874 18.6428 18.6428 19.3804 19.3804 k =-0.1914 0.0871 0.2102 ( 634 PWs) bands (ev): -3.8005 -3.8005 7.5090 7.5090 8.3205 8.3205 18.2729 18.2729 18.6259 18.6259 19.6747 19.6747 k =-0.1852 0.0843 0.2035 ( 638 PWs) bands (ev): -3.8819 -3.8819 7.6435 7.6435 8.4518 8.4518 18.3586 18.3586 18.5946 18.5946 19.9746 19.9746 k =-0.1790 0.0815 0.1967 ( 638 PWs) bands (ev): -3.9608 -3.9608 7.7805 7.7805 8.5848 8.5848 18.4439 18.4439 18.5525 18.5525 19.9717 19.9717 k =-0.1728 0.0787 0.1899 ( 638 PWs) bands (ev): -4.0371 -4.0371 7.9199 7.9199 8.7195 8.7195 18.4917 18.4917 18.5375 18.5375 19.7175 19.7175 k =-0.1667 0.0758 0.1831 ( 636 PWs) bands (ev): -4.1108 -4.1108 8.0618 8.0618 8.8559 8.8559 18.4320 18.4320 18.6199 18.6199 19.4640 19.4640 k =-0.1605 0.0730 0.1763 ( 636 PWs) bands (ev): -4.1819 -4.1819 8.2061 8.2061 8.9938 8.9938 18.3591 18.3591 18.7057 18.7057 19.2115 19.2115 k =-0.1543 0.0702 0.1696 ( 636 PWs) bands (ev): -4.2505 -4.2505 8.3528 8.3528 9.1332 9.1332 18.2765 18.2765 18.7908 18.7908 18.9607 18.9607 k =-0.1481 0.0674 0.1628 ( 636 PWs) bands (ev): -4.3165 -4.3165 8.5018 8.5018 9.2739 9.2739 18.1848 18.1848 18.7073 18.7073 18.8792 18.8792 k =-0.1420 0.0646 0.1560 ( 636 PWs) bands (ev): -4.3798 -4.3798 8.6532 8.6532 9.4159 9.4159 18.0846 18.0846 18.4588 18.4588 18.9634 18.9634 k =-0.1358 0.0618 0.1492 ( 636 PWs) bands (ev): -4.4406 -4.4406 8.8068 8.8068 9.5589 9.5589 17.9764 17.9764 18.2110 18.2110 19.0476 19.0476 k =-0.1296 0.0590 0.1424 ( 636 PWs) bands (ev): -4.4987 -4.4987 8.9627 8.9627 9.7030 9.7030 17.8607 17.8607 17.9648 17.9648 19.1309 19.1309 k =-0.1235 0.0562 0.1356 ( 632 PWs) bands (ev): -4.5541 -4.5541 9.1208 9.1208 9.8479 9.8479 17.7162 17.7162 17.7423 17.7423 19.2131 19.2131 k =-0.1173 0.0534 0.1289 ( 632 PWs) bands (ev): -4.6069 -4.6069 9.2809 9.2809 9.9933 9.9933 17.4754 17.4754 17.6120 17.6120 19.2938 19.2938 k =-0.1111 0.0506 0.1221 ( 628 PWs) bands (ev): -4.6571 -4.6571 9.4431 9.4431 10.1391 10.1391 17.2342 17.2342 17.4790 17.4790 19.3729 19.3729 k =-0.1049 0.0478 0.1153 ( 628 PWs) bands (ev): -4.7045 -4.7045 9.6072 9.6072 10.2851 10.2851 16.9949 16.9949 17.3418 17.3418 19.4502 19.4502 k =-0.0988 0.0449 0.1085 ( 627 PWs) bands (ev): -4.7493 -4.7493 9.7731 9.7731 10.4308 10.4308 16.7578 16.7578 17.2014 17.2014 19.5252 19.5252 k =-0.0926 0.0421 0.1017 ( 625 PWs) bands (ev): -4.7914 -4.7914 9.9407 9.9407 10.5759 10.5759 16.5230 16.5230 17.0586 17.0586 19.5979 19.5979 k =-0.0864 0.0393 0.0949 ( 625 PWs) bands (ev): -4.8308 -4.8308 10.1097 10.1097 10.7201 10.7201 16.2909 16.2909 16.9144 16.9144 19.6678 19.6678 k =-0.0802 0.0365 0.0882 ( 629 PWs) bands (ev): -4.8676 -4.8676 10.2800 10.2800 10.8627 10.8627 16.0617 16.0617 16.7697 16.7697 19.7348 19.7348 k =-0.0741 0.0337 0.0814 ( 629 PWs) bands (ev): -4.9016 -4.9016 10.4513 10.4513 11.0032 11.0032 15.8357 15.8357 16.6256 16.6256 19.7984 19.7984 k =-0.0679 0.0309 0.0746 ( 629 PWs) bands (ev): -4.9329 -4.9329 10.6231 10.6231 11.1408 11.1408 15.6133 15.6133 16.4832 16.4832 19.8585 19.8585 k =-0.0617 0.0281 0.0678 ( 629 PWs) bands (ev): -4.9615 -4.9615 10.7951 10.7951 11.2747 11.2747 15.3952 15.3952 16.3438 16.3438 19.9146 19.9146 k =-0.0556 0.0253 0.0610 ( 633 PWs) bands (ev): -4.9874 -4.9874 10.9664 10.9664 11.4038 11.4038 15.1819 15.1819 16.2087 16.2087 19.9666 19.9666 k =-0.0494 0.0225 0.0543 ( 629 PWs) bands (ev): -5.0106 -5.0106 11.1363 11.1363 11.5270 11.5270 14.9744 14.9744 16.0796 16.0796 20.0140 20.0140 k =-0.0432 0.0197 0.0475 ( 629 PWs) bands (ev): -5.0311 -5.0311 11.3032 11.3032 11.6428 11.6428 14.7741 14.7741 15.9580 15.9580 20.0567 20.0567 k =-0.0370 0.0169 0.0407 ( 633 PWs) bands (ev): -5.0488 -5.0488 11.4655 11.4655 11.7495 11.7495 14.5829 14.5829 15.8459 15.8459 20.0943 20.0943 k =-0.0309 0.0140 0.0339 ( 629 PWs) bands (ev): -5.0638 -5.0638 11.6202 11.6202 11.8453 11.8453 14.4034 14.4034 15.7454 15.7454 20.1266 20.1266 k =-0.0247 0.0112 0.0271 ( 629 PWs) bands (ev): -5.0761 -5.0761 11.7633 11.7633 11.9282 11.9282 14.2397 14.2397 15.6588 15.6588 20.1534 20.1534 k =-0.0185 0.0084 0.0203 ( 629 PWs) bands (ev): -5.0857 -5.0857 11.8885 11.8885 11.9966 11.9966 14.0975 14.0975 15.5882 15.5882 20.1744 20.1744 k =-0.0123 0.0056 0.0136 ( 629 PWs) bands (ev): -5.0925 -5.0925 11.9867 11.9867 12.0496 12.0496 13.9849 13.9849 15.5360 15.5360 20.1895 20.1895 k =-0.0062 0.0028 0.0068 ( 629 PWs) bands (ev): -5.0966 -5.0966 12.0459 12.0459 12.0878 12.0878 13.9114 13.9114 15.5038 15.5038 20.1987 20.1987 k = 0.0000 0.0000 0.0000 ( 629 PWs) bands (ev): -5.0980 -5.0980 12.0637 12.0637 12.1038 12.1038 13.8856 13.8856 15.4930 15.4930 20.2017 20.2017 k = 0.0000 0.0000 0.0000 ( 629 PWs) bands (ev): -5.0980 -5.0980 12.0637 12.0637 12.1038 12.1038 13.8856 13.8856 15.4930 15.4930 20.2017 20.2017 k = 0.0040 0.0087 0.0000 ( 629 PWs) bands (ev): -5.0965 -5.0965 12.0647 12.0647 12.1049 12.1049 13.8871 13.8871 15.4914 15.4914 20.1941 20.1941 k = 0.0079 0.0175 0.0000 ( 629 PWs) bands (ev): -5.0921 -5.0921 12.0679 12.0679 12.1081 12.1081 13.8914 13.8914 15.4866 15.4866 20.1714 20.1714 k = 0.0119 0.0262 0.0000 ( 633 PWs) bands (ev): -5.0849 -5.0849 12.0732 12.0732 12.1134 12.1134 13.8986 13.8986 15.4784 15.4784 20.1345 20.1345 k = 0.0159 0.0349 0.0000 ( 633 PWs) bands (ev): -5.0747 -5.0747 12.0806 12.0806 12.1208 12.1208 13.9087 13.9087 15.4668 15.4668 20.0846 20.0846 k = 0.0199 0.0436 0.0000 ( 633 PWs) bands (ev): -5.0616 -5.0616 12.0901 12.0901 12.1304 12.1304 13.9217 13.9217 15.4515 15.4515 20.0232 20.0232 k = 0.0238 0.0524 0.0000 ( 633 PWs) bands (ev): -5.0457 -5.0457 12.1017 12.1017 12.1420 12.1420 13.9375 13.9375 15.4321 15.4321 19.9522 19.9522 k = 0.0278 0.0611 0.0000 ( 633 PWs) bands (ev): -5.0268 -5.0268 12.1154 12.1154 12.1557 12.1557 13.9562 13.9562 15.4083 15.4083 19.8735 19.8735 k = 0.0318 0.0698 0.0000 ( 633 PWs) bands (ev): -5.0050 -5.0050 12.1311 12.1311 12.1714 12.1714 13.9778 13.9778 15.3796 15.3796 19.7891 19.7891 k = 0.0358 0.0786 0.0000 ( 633 PWs) bands (ev): -4.9803 -4.9803 12.1488 12.1488 12.1892 12.1892 14.0023 14.0023 15.3457 15.3457 19.7010 19.7010 k = 0.0397 0.0873 0.0000 ( 633 PWs) bands (ev): -4.9527 -4.9527 12.1686 12.1686 12.2090 12.2090 14.0297 14.0297 15.3059 15.3059 19.6113 19.6113 k = 0.0437 0.0960 0.0000 ( 633 PWs) bands (ev): -4.9222 -4.9222 12.1902 12.1902 12.2308 12.2308 14.0599 14.0599 15.2599 15.2599 19.5216 19.5216 k = 0.0477 0.1047 0.0000 ( 641 PWs) bands (ev): -4.8889 -4.8889 12.2138 12.2138 12.2544 12.2544 14.0930 14.0930 15.2069 15.2069 19.4338 19.4338 k = 0.0516 0.1135 0.0000 ( 641 PWs) bands (ev): -4.8526 -4.8526 12.2393 12.2393 12.2800 12.2800 14.1290 14.1290 15.1466 15.1466 19.3494 19.3494 k = 0.0556 0.1222 0.0000 ( 633 PWs) bands (ev): -4.8134 -4.8134 12.2666 12.2666 12.3074 12.3074 14.1678 14.1678 15.0785 15.0785 19.2698 19.2698 k = 0.0596 0.1309 0.0000 ( 621 PWs) bands (ev): -4.7713 -4.7713 12.2956 12.2956 12.3365 12.3365 14.2096 14.2096 15.0022 15.0022 19.1963 19.1963 k = 0.0636 0.1397 0.0000 ( 621 PWs) bands (ev): -4.7264 -4.7264 12.3263 12.3263 12.3674 12.3674 14.2542 14.2542 14.9174 14.9174 19.1298 19.1298 k = 0.0675 0.1484 0.0000 ( 621 PWs) bands (ev): -4.6785 -4.6785 12.3586 12.3586 12.3998 12.3998 14.3017 14.3017 14.8239 14.8239 19.0712 19.0712 k = 0.0715 0.1571 0.0000 ( 621 PWs) bands (ev): -4.6278 -4.6278 12.3924 12.3924 12.4338 12.4338 14.3520 14.3520 14.7218 14.7218 19.0210 19.0210 k = 0.0755 0.1659 0.0000 ( 621 PWs) bands (ev): -4.5742 -4.5742 12.4276 12.4276 12.4691 12.4691 14.4051 14.4051 14.6110 14.6110 18.9797 18.9797 k = 0.0795 0.1746 0.0000 ( 621 PWs) bands (ev): -4.5177 -4.5177 12.4640 12.4640 12.5057 12.5057 14.4611 14.4611 14.4921 14.4921 18.9476 18.9476 k = 0.0834 0.1833 0.0000 ( 621 PWs) bands (ev): -4.4583 -4.4583 12.5016 12.5016 12.5435 12.5435 14.3648 14.3648 14.5202 14.5202 18.9245 18.9245 k = 0.0874 0.1920 0.0000 ( 621 PWs) bands (ev): -4.3960 -4.3960 12.5400 12.5400 12.5821 12.5821 14.2300 14.2300 14.5819 14.5819 18.9106 18.9106 k = 0.0914 0.2008 0.0000 ( 621 PWs) bands (ev): -4.3309 -4.3309 12.5791 12.5791 12.6215 12.6215 14.0882 14.0882 14.6465 14.6465 18.9054 18.9054 k = 0.0953 0.2095 0.0000 ( 621 PWs) bands (ev): -4.2629 -4.2629 12.6187 12.6187 12.6614 12.6614 13.9398 13.9398 14.7140 14.7140 18.9088 18.9088 k = 0.0993 0.2182 0.0000 ( 629 PWs) bands (ev): -4.1921 -4.1921 12.6583 12.6583 12.7014 12.7014 13.7854 13.7854 14.7843 14.7843 18.7583 18.7583 k = 0.1033 0.2270 0.0000 ( 637 PWs) bands (ev): -4.1183 -4.1183 12.6978 12.6978 12.7413 12.7413 13.6256 13.6256 14.8575 14.8575 18.5148 18.5148 k = 0.1073 0.2357 0.0000 ( 633 PWs) bands (ev): -4.0417 -4.0417 12.7366 12.7366 12.7806 12.7806 13.4611 13.4611 14.9335 14.9335 18.2765 18.2765 k = 0.1112 0.2444 0.0000 ( 633 PWs) bands (ev): -3.9623 -3.9623 12.7741 12.7741 12.8188 12.8188 13.2924 13.2924 15.0123 15.0123 18.0439 18.0439 k = 0.1152 0.2531 0.0000 ( 633 PWs) bands (ev): -3.8800 -3.8800 12.8093 12.8093 12.8553 12.8553 13.1206 13.1206 15.0940 15.0940 17.8177 17.8177 k = 0.1192 0.2619 0.0000 ( 633 PWs) bands (ev): -3.7948 -3.7948 12.8384 12.8384 12.8894 12.8894 12.9493 12.9493 15.1785 15.1785 17.5987 17.5987 k = 0.1231 0.2706 0.0000 ( 633 PWs) bands (ev): -3.7069 -3.7069 12.7568 12.7568 12.8825 12.8825 12.9205 12.9205 15.2659 15.2659 17.3878 17.3878 k = 0.1271 0.2793 0.0000 ( 633 PWs) bands (ev): -3.6160 -3.6160 12.5794 12.5794 12.9050 12.9050 12.9473 12.9473 15.3560 15.3560 17.1858 17.1858 k = 0.1311 0.2881 0.0000 ( 633 PWs) bands (ev): -3.5223 -3.5223 12.3970 12.3970 12.9253 12.9253 12.9687 12.9687 15.4490 15.4490 16.9942 16.9951 k = 0.1351 0.2968 0.0000 ( 633 PWs) bands (ev): -3.4258 -3.4258 12.2124 12.2124 12.9395 12.9395 12.9836 12.9836 15.5448 15.5448 16.8140 16.8140 k = 0.1390 0.3055 0.0000 ( 633 PWs) bands (ev): -3.3265 -3.3265 12.0263 12.0263 12.9459 12.9459 12.9904 12.9904 15.6434 15.6434 16.6470 16.6470 k = 0.1430 0.3142 0.0000 ( 633 PWs) bands (ev): -3.2243 -3.2243 11.8390 11.8390 12.9428 12.9428 12.9875 12.9875 15.7447 15.7447 16.4946 16.4948 k = 0.1470 0.3230 0.0000 ( 633 PWs) bands (ev): -3.1193 -3.1193 11.6510 11.6510 12.9286 12.9286 12.9733 12.9733 15.8489 15.8489 16.3584 16.3589 k = 0.1510 0.3317 0.0000 ( 633 PWs) bands (ev): -3.0115 -3.0115 11.4624 11.4624 12.9018 12.9018 12.9463 12.9463 15.9559 15.9559 16.2401 16.2401 k = 0.1549 0.3404 0.0000 ( 629 PWs) bands (ev): -2.9009 -2.9009 11.2735 11.2735 12.8612 12.8612 12.9053 12.9053 16.0656 16.0656 16.1408 16.1408 k = 0.1589 0.3492 0.0000 ( 629 PWs) bands (ev): -2.7875 -2.7875 11.0845 11.0845 12.8057 12.8057 12.8493 12.8493 16.0615 16.0615 16.0706 16.0706 k = 0.1629 0.3579 0.0000 ( 629 PWs) bands (ev): -2.6713 -2.6713 10.8956 10.8956 12.7352 12.7352 12.7779 12.7779 16.0025 16.0025 16.0114 16.0114 k = 0.1668 0.3666 0.0000 ( 629 PWs) bands (ev): -2.5523 -2.5523 10.7069 10.7069 12.6497 12.6497 12.6914 12.6914 15.9635 15.9635 15.9725 15.9725 k = 0.1708 0.3753 0.0000 ( 629 PWs) bands (ev): -2.4305 -2.4305 10.5186 10.5186 12.5499 12.5499 12.5906 12.5906 15.9439 15.9439 15.9532 15.9532 k = 0.1748 0.3841 0.0000 ( 629 PWs) bands (ev): -2.3059 -2.3059 10.3309 10.3309 12.4371 12.4371 12.4767 12.4767 15.9424 15.9424 15.9522 15.9522 k = 0.1788 0.3928 0.0000 ( 629 PWs) bands (ev): -2.1786 -2.1786 10.1438 10.1438 12.3127 12.3127 12.3512 12.3512 15.9576 15.9576 15.9681 15.9681 k = 0.1827 0.4015 0.0000 ( 629 PWs) bands (ev): -2.0484 -2.0484 9.9576 9.9576 12.1783 12.1783 12.2156 12.2156 15.9879 15.9879 15.9992 15.9992 k = 0.1867 0.4103 0.0000 ( 633 PWs) bands (ev): -1.9155 -1.9155 9.7722 9.7722 12.0354 12.0354 12.0717 12.0717 16.0319 16.0319 16.0440 16.0440 k = 0.1907 0.4190 0.0000 ( 633 PWs) bands (ev): -1.7799 -1.7799 9.5879 9.5879 11.8856 11.8856 11.9209 11.9209 16.0880 16.0880 16.1009 16.1009 k = 0.1947 0.4277 0.0000 ( 633 PWs) bands (ev): -1.6415 -1.6415 9.4046 9.4046 11.7302 11.7302 11.7646 11.7646 16.1548 16.1548 16.1686 16.1686 k = 0.1986 0.4365 0.0000 ( 633 PWs) bands (ev): -1.5003 -1.5003 9.2226 9.2226 11.5704 11.5704 11.6040 11.6040 16.2313 16.2313 16.2459 16.2459 k = 0.2026 0.4452 0.0000 ( 633 PWs) bands (ev): -1.3564 -1.3564 9.0418 9.0418 11.4072 11.4072 11.4401 11.4401 16.3164 16.3164 16.3316 16.3316 k = 0.2066 0.4539 0.0000 ( 633 PWs) bands (ev): -1.2098 -1.2098 8.8624 8.8624 11.2416 11.2416 11.2737 11.2737 16.4091 16.4091 16.4250 16.4250 k = 0.2105 0.4626 0.0000 ( 633 PWs) bands (ev): -1.0605 -1.0605 8.6844 8.6844 11.0742 11.0742 11.1058 11.1058 16.5088 16.5088 16.5253 16.5253 k = 0.2145 0.4714 0.0000 ( 633 PWs) bands (ev): -0.9084 -0.9084 8.5079 8.5079 10.9057 10.9057 10.9367 10.9367 16.3700 16.3700 16.6149 16.6149 k = 0.2185 0.4801 0.0000 ( 633 PWs) bands (ev): -0.7536 -0.7536 8.3329 8.3329 10.7367 10.7367 10.7672 10.7672 16.1656 16.1656 16.7268 16.7268 k = 0.2225 0.4888 0.0000 ( 641 PWs) bands (ev): -0.5962 -0.5962 8.1596 8.1596 10.5675 10.5675 10.5976 10.5976 15.9637 15.9637 16.8440 16.8440 k = 0.2264 0.4976 0.0000 ( 641 PWs) bands (ev): -0.4360 -0.4360 7.9879 7.9879 10.3986 10.3986 10.4283 10.4283 15.7643 15.7643 16.9663 16.9663 k = 0.2304 0.5063 0.0000 ( 641 PWs) bands (ev): -0.2731 -0.2731 7.8179 7.8179 10.2302 10.2302 10.2597 10.2597 15.5676 15.5676 17.0932 17.0932 k = 0.2344 0.5150 0.0000 ( 641 PWs) bands (ev): -0.1076 -0.1076 7.6497 7.6497 10.0628 10.0628 10.0919 10.0919 15.3735 15.3735 17.2245 17.2245 k = 0.2384 0.5237 0.0000 ( 641 PWs) bands (ev): 0.0606 0.0606 7.4834 7.4834 9.8964 9.8964 9.9252 9.9252 15.1821 15.1821 17.3600 17.3600 k = 0.2423 0.5325 0.0000 ( 641 PWs) bands (ev): 0.2314 0.2314 7.3189 7.3189 9.7313 9.7313 9.7598 9.7598 14.9933 14.9933 17.4994 17.4994 k = 0.2463 0.5412 0.0000 ( 641 PWs) bands (ev): 0.4049 0.4049 7.1563 7.1563 9.5676 9.5676 9.5960 9.5960 14.8072 14.8072 17.6427 17.6427 k = 0.2503 0.5499 0.0000 ( 641 PWs) bands (ev): 0.5810 0.5810 6.9956 6.9956 9.4055 9.4055 9.4337 9.4337 14.6238 14.6238 17.7896 17.7896 k = 0.2542 0.5587 0.0000 ( 641 PWs) bands (ev): 0.7597 0.7597 6.8370 6.8370 9.2452 9.2452 9.2732 9.2732 14.4432 14.4432 17.9400 17.9400 k = 0.2582 0.5674 0.0000 ( 641 PWs) bands (ev): 0.9410 0.9410 6.6804 6.6804 9.0867 9.0867 9.1145 9.1145 14.2652 14.2652 18.0938 18.0938 k = 0.2622 0.5761 0.0000 ( 641 PWs) bands (ev): 1.1248 1.1248 6.5259 6.5259 8.9301 8.9301 8.9577 8.9577 14.0900 14.0900 18.2510 18.2510 k = 0.2662 0.5848 0.0000 ( 641 PWs) bands (ev): 1.3113 1.3113 6.3736 6.3736 8.7755 8.7755 8.8030 8.8030 13.9176 13.9176 18.4113 18.4113 k = 0.2701 0.5936 0.0000 ( 641 PWs) bands (ev): 1.5002 1.5002 6.2234 6.2234 8.6230 8.6230 8.6504 8.6504 13.7480 13.7480 18.5748 18.5748 k = 0.2741 0.6023 0.0000 ( 645 PWs) bands (ev): 1.6917 1.6917 6.0755 6.0755 8.4726 8.4726 8.4999 8.4999 13.5811 13.5811 18.7414 18.7414 k = 0.2781 0.6110 0.0000 ( 653 PWs) bands (ev): 1.8856 1.8856 5.9298 5.9298 8.3244 8.3244 8.3517 8.3517 13.4170 13.4170 18.9109 18.9109 k = 0.2820 0.6198 0.0000 ( 653 PWs) bands (ev): 2.0819 2.0819 5.7865 5.7865 8.1785 8.1785 8.2057 8.2057 13.2557 13.2557 19.0834 19.0834 k = 0.2860 0.6285 0.0000 ( 653 PWs) bands (ev): 2.2805 2.2805 5.6457 5.6457 8.0349 8.0349 8.0620 8.0620 13.0973 13.0973 19.2588 19.2588 k = 0.2900 0.6372 0.0000 ( 653 PWs) bands (ev): 2.4814 2.4814 5.5075 5.5075 7.8937 7.8937 7.9207 7.9207 12.9416 12.9416 19.4371 19.4371 k = 0.2940 0.6460 0.0000 ( 645 PWs) bands (ev): 2.6844 2.6844 5.3720 5.3720 7.7548 7.7548 7.7817 7.7817 12.7888 12.7888 19.6181 19.6181 k = 0.2979 0.6547 0.0000 ( 645 PWs) bands (ev): 2.8893 2.8893 5.2394 5.2394 7.6183 7.6183 7.6452 7.6452 12.6388 12.6388 19.8019 19.8019 k = 0.3019 0.6634 0.0000 ( 645 PWs) bands (ev): 3.0957 3.0957 5.1101 5.1101 7.4842 7.4842 7.5111 7.5111 12.4917 12.4917 19.9884 19.9884 k = 0.3059 0.6721 0.0000 ( 645 PWs) bands (ev): 3.3030 3.3030 4.9848 4.9848 7.3526 7.3526 7.3794 7.3794 12.3474 12.3474 20.1776 20.1776 k = 0.3099 0.6809 0.0000 ( 645 PWs) bands (ev): 3.5101 3.5101 4.8647 4.8647 7.2235 7.2235 7.2503 7.2503 12.2060 12.2060 20.3694 20.3694 k = 0.3138 0.6896 0.0000 ( 645 PWs) bands (ev): 3.7141 3.7141 4.7524 4.7524 7.0969 7.0969 7.1236 7.1236 12.0674 12.0674 20.5637 20.5637 k = 0.3178 0.6983 0.0000 ( 637 PWs) bands (ev): 3.9081 3.9081 4.6550 4.6550 6.9728 6.9728 6.9995 6.9995 11.9317 11.9317 20.7607 20.7607 k = 0.3218 0.7071 0.0000 ( 637 PWs) bands (ev): 4.0701 4.0701 4.5946 4.5946 6.8513 6.8513 6.8779 6.8779 11.7989 11.7989 20.9601 20.9601 k = 0.3257 0.7158 0.0000 ( 637 PWs) bands (ev): 4.1460 4.1460 4.6251 4.6251 6.7323 6.7323 6.7589 6.7589 11.6689 11.6689 21.1620 21.1620 k = 0.3297 0.7245 0.0000 ( 637 PWs) bands (ev): 4.1167 4.1167 4.7659 4.7659 6.6158 6.6158 6.6425 6.6425 11.5418 11.5418 21.3663 21.3663 k = 0.3337 0.7332 0.0000 ( 637 PWs) bands (ev): 4.0382 4.0382 4.9606 4.9606 6.5020 6.5020 6.5286 6.5286 11.4176 11.4176 21.5730 21.5730 k = 0.3377 0.7420 0.0000 ( 645 PWs) bands (ev): 3.9440 3.9440 5.1760 5.1760 6.3907 6.3907 6.4173 6.4173 11.2963 11.2963 21.7820 21.7820 k = 0.3416 0.7507 0.0000 ( 641 PWs) bands (ev): 3.8449 3.8449 5.4012 5.4012 6.2821 6.2821 6.3087 6.3087 11.1779 11.1779 21.9933 21.9933 k = 0.3456 0.7594 0.0000 ( 641 PWs) bands (ev): 3.7448 3.7448 5.6323 5.6323 6.1762 6.1762 6.2026 6.2026 11.0624 11.0624 22.2069 22.2069 k = 0.3496 0.7682 0.0000 ( 641 PWs) bands (ev): 3.6452 3.6452 5.8675 5.8675 6.0732 6.0732 6.0992 6.0992 10.9498 10.9498 22.4226 22.4226 k = 0.3536 0.7769 0.0000 ( 641 PWs) bands (ev): 3.5469 3.5469 5.9707 5.9707 5.9983 5.9983 6.1086 6.1086 10.8401 10.8401 22.6405 22.6406 k = 0.3536 0.7769 0.0000 ( 641 PWs) bands (ev): 3.5469 3.5469 5.9707 5.9707 5.9983 5.9983 6.1086 6.1086 10.8401 10.8401 22.6405 22.6583 k = 0.3519 0.7733 0.0087 ( 641 PWs) bands (ev): 3.5803 3.5803 5.9947 5.9947 6.0280 6.0280 6.0448 6.0448 10.8908 10.8908 22.5330 22.5330 k = 0.3503 0.7697 0.0174 ( 641 PWs) bands (ev): 3.6005 3.6005 5.9070 5.9070 6.0594 6.0594 6.1055 6.1055 10.9534 10.9534 22.3834 22.3834 k = 0.3486 0.7661 0.0262 ( 643 PWs) bands (ev): 3.6083 3.6083 5.8130 5.8130 6.0861 6.0861 6.1906 6.1906 11.0276 11.0276 22.1978 22.1978 k = 0.3470 0.7624 0.0349 ( 641 PWs) bands (ev): 3.6051 3.6051 5.7211 5.7211 6.1062 6.1062 6.2930 6.2930 11.1132 11.1132 21.9837 21.9837 k = 0.3453 0.7588 0.0436 ( 641 PWs) bands (ev): 3.5924 3.5924 5.6315 5.6315 6.1205 6.1205 6.4099 6.4099 11.2099 11.2099 21.7477 21.7477 k = 0.3437 0.7552 0.0523 ( 642 PWs) bands (ev): 3.5720 3.5720 5.5443 5.5443 6.1295 6.1295 6.5395 6.5395 11.3171 11.3171 21.4951 21.4951 k = 0.3420 0.7516 0.0610 ( 640 PWs) bands (ev): 3.5452 3.5452 5.4597 5.4597 6.1338 6.1338 6.6802 6.6802 11.4345 11.4345 21.2302 21.2302 k = 0.3404 0.7480 0.0698 ( 638 PWs) bands (ev): 3.5136 3.5136 5.3777 5.3777 6.1339 6.1339 6.8305 6.8305 11.5616 11.5616 20.9560 20.9560 k = 0.3388 0.7444 0.0785 ( 640 PWs) bands (ev): 3.4782 3.4782 5.2981 5.2981 6.1302 6.1302 6.9891 6.9891 11.6978 11.6978 20.6751 20.6751 k = 0.3371 0.7408 0.0872 ( 644 PWs) bands (ev): 3.4401 3.4401 5.2211 5.2211 6.1233 6.1233 7.1550 7.1550 11.8427 11.8427 20.3891 20.3891 k = 0.3355 0.7372 0.0959 ( 642 PWs) bands (ev): 3.4002 3.4002 5.1467 5.1467 6.1135 6.1135 7.3273 7.3273 11.9958 11.9958 20.0996 20.0996 k = 0.3338 0.7335 0.1046 ( 642 PWs) bands (ev): 3.3591 3.3591 5.0748 5.0748 6.1015 6.1015 7.5051 7.5051 12.1566 12.1566 19.8076 19.8076 k = 0.3322 0.7299 0.1134 ( 644 PWs) bands (ev): 3.3175 3.3175 5.0055 5.0055 6.0875 6.0875 7.6877 7.6877 12.3246 12.3246 19.5141 19.5141 k = 0.3305 0.7263 0.1221 ( 644 PWs) bands (ev): 3.2758 3.2758 4.9387 4.9387 6.0721 6.0721 7.8747 7.8747 12.4995 12.4995 19.2198 19.2198 k = 0.3289 0.7227 0.1308 ( 643 PWs) bands (ev): 3.2344 3.2344 4.8745 4.8745 6.0555 6.0555 8.0655 8.0655 12.6809 12.6809 18.9254 18.9254 k = 0.3273 0.7191 0.1395 ( 643 PWs) bands (ev): 3.1937 3.1937 4.8128 4.8128 6.0382 6.0382 8.2595 8.2595 12.8683 12.8683 18.6315 18.6315 k = 0.3256 0.7155 0.1482 ( 643 PWs) bands (ev): 3.1539 3.1539 4.7537 4.7537 6.0204 6.0204 8.4565 8.4565 13.0614 13.0614 18.3385 18.3385 k = 0.3240 0.7119 0.1570 ( 641 PWs) bands (ev): 3.1154 3.1154 4.6971 4.6971 6.0024 6.0024 8.6558 8.6558 13.2599 13.2599 18.0469 18.0469 k = 0.3223 0.7083 0.1657 ( 641 PWs) bands (ev): 3.0782 3.0782 4.6431 4.6431 5.9845 5.9845 8.8572 8.8572 13.4636 13.4636 17.7573 17.7573 k = 0.3207 0.7046 0.1744 ( 643 PWs) bands (ev): 3.0425 3.0425 4.5916 4.5916 5.9669 5.9669 9.0601 9.0601 13.6720 13.6720 17.4701 17.4701 k = 0.3190 0.7010 0.1831 ( 643 PWs) bands (ev): 3.0085 3.0085 4.5426 4.5426 5.9498 5.9498 9.2641 9.2641 13.8851 13.8851 17.1860 17.1860 k = 0.3174 0.6974 0.1918 ( 641 PWs) bands (ev): 2.9763 2.9763 4.4961 4.4961 5.9335 5.9335 9.4686 9.4686 14.1024 14.1024 16.9053 16.9053 k = 0.3157 0.6938 0.2006 ( 641 PWs) bands (ev): 2.9460 2.9460 4.4521 4.4521 5.9180 5.9180 9.6729 9.6729 14.3238 14.3238 16.6290 16.6290 k = 0.3141 0.6902 0.2093 ( 641 PWs) bands (ev): 2.9177 2.9177 4.4106 4.4106 5.9036 5.9036 9.8763 9.8763 14.5491 14.5491 16.3577 16.3577 k = 0.3125 0.6866 0.2180 ( 641 PWs) bands (ev): 2.8915 2.8915 4.3716 4.3716 5.8904 5.8904 10.0778 10.0778 14.7780 14.7780 16.0925 16.0925 k = 0.3108 0.6830 0.2267 ( 637 PWs) bands (ev): 2.8674 2.8674 4.3350 4.3350 5.8786 5.8786 10.2761 10.2761 15.0103 15.0103 15.8347 15.8347 k = 0.3092 0.6794 0.2354 ( 641 PWs) bands (ev): 2.8455 2.8455 4.3009 4.3009 5.8682 5.8682 10.4697 10.4697 15.2458 15.2458 15.5859 15.5859 k = 0.3075 0.6758 0.2442 ( 641 PWs) bands (ev): 2.8259 2.8259 4.2692 4.2692 5.8593 5.8593 10.6562 10.6562 15.3481 15.3481 15.4844 15.4844 k = 0.3059 0.6721 0.2529 ( 639 PWs) bands (ev): 2.8085 2.8085 4.2399 4.2399 5.8520 5.8520 10.8331 10.8331 15.1244 15.1244 15.7256 15.7256 k = 0.3042 0.6685 0.2616 ( 639 PWs) bands (ev): 2.7934 2.7934 4.2130 4.2130 5.8465 5.8465 10.9964 10.9964 14.9185 14.9185 15.9694 15.9694 k = 0.3026 0.6649 0.2703 ( 639 PWs) bands (ev): 2.7808 2.7808 4.1884 4.1884 5.8428 5.8428 11.1414 11.1414 14.7351 14.7351 16.2154 16.2154 k = 0.3010 0.6613 0.2790 ( 639 PWs) bands (ev): 2.7705 2.7705 4.1661 4.1661 5.8410 5.8410 11.2619 11.2619 14.5806 14.5806 16.4633 16.4633 k = 0.2993 0.6577 0.2878 ( 641 PWs) bands (ev): 2.7626 2.7626 4.1461 4.1461 5.8410 5.8410 11.3508 11.3508 14.4618 14.4618 16.7129 16.7129 k = 0.2977 0.6541 0.2965 ( 645 PWs) bands (ev): 2.7571 2.7571 4.1283 4.1283 5.8431 5.8431 11.4013 11.4013 14.3857 14.3857 16.9636 16.9636 k = 0.2960 0.6505 0.3052 ( 641 PWs) bands (ev): 2.7541 2.7541 4.1127 4.1127 5.8472 5.8472 11.4082 11.4082 14.3575 14.3575 17.2151 17.2151 k = 0.2944 0.6469 0.3139 ( 642 PWs) bands (ev): 2.7536 2.7536 4.0992 4.0992 5.8534 5.8534 11.3703 11.3703 14.3783 14.3783 17.4669 17.4669 k = 0.2927 0.6432 0.3226 ( 641 PWs) bands (ev): 2.7555 2.7555 4.0879 4.0879 5.8618 5.8618 11.2904 11.2904 14.4454 14.4454 17.7181 17.7181 k = 0.2911 0.6396 0.3313 ( 643 PWs) bands (ev): 2.7600 2.7600 4.0785 4.0785 5.8723 5.8723 11.1747 11.1747 14.5527 14.5527 17.9679 17.9679 k = 0.2894 0.6360 0.3401 ( 641 PWs) bands (ev): 2.7669 2.7669 4.0710 4.0710 5.8850 5.8850 11.0304 11.0304 14.6928 14.6928 18.2153 18.2153 k = 0.2878 0.6324 0.3488 ( 641 PWs) bands (ev): 2.7764 2.7764 4.0654 4.0654 5.8999 5.8999 10.8644 10.8644 14.8587 14.8587 18.4587 18.4587 k = 0.2862 0.6288 0.3575 ( 641 PWs) bands (ev): 2.7884 2.7884 4.0615 4.0615 5.9171 5.9171 10.6827 10.6827 15.0446 15.0446 18.6962 18.6962 k = 0.2845 0.6252 0.3662 ( 641 PWs) bands (ev): 2.8029 2.8029 4.0593 4.0593 5.9366 5.9366 10.4899 10.4899 15.2459 15.2459 18.9250 18.9250 k = 0.2829 0.6216 0.3749 ( 643 PWs) bands (ev): 2.8199 2.8199 4.0586 4.0586 5.9585 5.9585 10.2895 10.2895 15.4590 15.4590 19.1415 19.1415 k = 0.2812 0.6180 0.3837 ( 641 PWs) bands (ev): 2.8395 2.8395 4.0592 4.0592 5.9826 5.9826 10.0841 10.0841 15.6812 15.6812 19.3413 19.3413 k = 0.2796 0.6144 0.3924 ( 639 PWs) bands (ev): 2.8616 2.8616 4.0610 4.0610 6.0091 6.0091 9.8760 9.8760 15.9104 15.9104 19.5187 19.5187 k = 0.2779 0.6107 0.4011 ( 641 PWs) bands (ev): 2.8862 2.8862 4.0638 4.0638 6.0380 6.0380 9.6666 9.6666 16.1450 16.1450 19.6689 19.6689 k = 0.2763 0.6071 0.4098 ( 641 PWs) bands (ev): 2.9132 2.9132 4.0674 4.0674 6.0693 6.0693 9.4574 9.4574 16.3835 16.3835 19.7888 19.7888 k = 0.2747 0.6035 0.4185 ( 641 PWs) bands (ev): 2.9428 2.9428 4.0715 4.0715 6.1030 6.1030 9.2493 9.2493 16.6250 16.6250 19.8787 19.8787 k = 0.2730 0.5999 0.4273 ( 637 PWs) bands (ev): 2.9748 2.9748 4.0759 4.0759 6.1391 6.1391 9.0435 9.0435 16.8683 16.8683 19.9423 19.9423 k = 0.2714 0.5963 0.4360 ( 639 PWs) bands (ev): 3.0093 3.0093 4.0801 4.0801 6.1776 6.1776 8.8407 8.8407 17.1126 17.1126 19.9845 19.9845 k = 0.2697 0.5927 0.4447 ( 639 PWs) bands (ev): 3.0461 3.0461 4.0838 4.0838 6.2185 6.2185 8.6418 8.6418 17.3568 17.3568 20.0100 20.0100 k = 0.2681 0.5891 0.4534 ( 639 PWs) bands (ev): 3.0852 3.0852 4.0865 4.0865 6.2619 6.2619 8.4476 8.4476 17.6002 17.6002 20.0226 20.0226 k = 0.2664 0.5855 0.4621 ( 639 PWs) bands (ev): 3.1266 3.1266 4.0878 4.0878 6.3078 6.3078 8.2589 8.2589 17.8415 17.8415 20.0250 20.0250 k = 0.2648 0.5818 0.4709 ( 641 PWs) bands (ev): 3.1702 3.1702 4.0871 4.0871 6.3560 6.3560 8.0767 8.0767 18.0798 18.0798 20.0190 20.0190 k = 0.2631 0.5782 0.4796 ( 637 PWs) bands (ev): 3.2157 3.2157 4.0837 4.0837 6.4068 6.4068 7.9018 7.9018 18.3135 18.3135 20.0059 20.0059 k = 0.2615 0.5746 0.4883 ( 635 PWs) bands (ev): 3.2630 3.2630 4.0771 4.0771 6.4600 6.4600 7.7353 7.7353 18.5410 18.5410 19.9864 19.9864 k = 0.2599 0.5710 0.4970 ( 635 PWs) bands (ev): 3.3116 3.3116 4.0668 4.0668 6.5157 6.5157 7.5782 7.5782 18.7601 18.7601 19.9610 19.9610 k = 0.2582 0.5674 0.5057 ( 635 PWs) bands (ev): 3.3610 3.3610 4.0522 4.0522 6.5738 6.5738 7.4316 7.4316 18.9681 18.9681 19.9299 19.9299 k = 0.2566 0.5638 0.5145 ( 637 PWs) bands (ev): 3.4104 3.4104 4.0333 4.0333 6.6344 6.6344 7.2965 7.2965 19.1616 19.1616 19.8933 19.8933 k = 0.2549 0.5602 0.5232 ( 637 PWs) bands (ev): 3.4579 3.4579 4.0108 4.0108 6.6974 6.6974 7.1742 7.1742 19.3357 19.3357 19.8513 19.8513 k = 0.2533 0.5566 0.5319 ( 637 PWs) bands (ev): 3.5005 3.5005 3.9868 3.9868 6.7628 6.7628 7.0656 7.0656 19.4849 19.4849 19.8040 19.8040 k = 0.2516 0.5530 0.5406 ( 636 PWs) bands (ev): 3.5329 3.5329 3.9659 3.9659 6.8305 6.8305 6.9716 6.9716 19.6022 19.6022 19.7519 19.7519 k = 0.2500 0.5493 0.5493 ( 636 PWs) bands (ev): 3.5464 3.5464 3.9563 3.9563 6.8868 6.8868 6.9064 6.9064 19.6734 19.6734 19.7034 19.7034 k = 0.2500 0.5493 0.5493 ( 636 PWs) bands (ev): 3.5464 3.5464 3.9563 3.9563 6.8868 6.8868 6.9064 6.9064 19.6734 19.6734 19.7034 19.7034 k = 0.2439 0.5521 0.5426 ( 636 PWs) bands (ev): 3.5442 3.5442 3.9535 3.9535 6.8918 6.8918 6.9114 6.9114 19.6584 19.6584 19.6908 19.6908 k = 0.2378 0.5549 0.5359 ( 636 PWs) bands (ev): 3.5374 3.5374 3.9450 3.9450 6.9066 6.9066 6.9263 6.9263 19.6066 19.6066 19.6622 19.6622 k = 0.2317 0.5577 0.5292 ( 638 PWs) bands (ev): 3.5262 3.5262 3.9312 3.9312 6.9309 6.9309 6.9510 6.9510 19.5190 19.5190 19.6221 19.6221 k = 0.2256 0.5604 0.5225 ( 638 PWs) bands (ev): 3.5109 3.5109 3.9122 3.9122 6.9645 6.9645 6.9854 6.9854 19.4046 19.4046 19.5686 19.5686 k = 0.2195 0.5632 0.5158 ( 638 PWs) bands (ev): 3.4917 3.4917 3.8885 3.8885 7.0068 7.0068 7.0292 7.0292 19.2704 19.2704 19.5012 19.5012 k = 0.2134 0.5660 0.5091 ( 634 PWs) bands (ev): 3.4689 3.4689 3.8607 3.8607 7.0574 7.0574 7.0821 7.0821 19.1213 19.1213 19.4201 19.4201 k = 0.2073 0.5688 0.5024 ( 636 PWs) bands (ev): 3.4430 3.4430 3.8291 3.8291 7.1160 7.1160 7.1435 7.1435 18.9608 18.9608 19.3259 19.3259 k = 0.2012 0.5715 0.4957 ( 636 PWs) bands (ev): 3.4142 3.4142 3.7943 3.7943 7.1820 7.1820 7.2129 7.2129 18.7917 18.7917 19.2191 19.2191 k = 0.1951 0.5743 0.4890 ( 636 PWs) bands (ev): 3.3830 3.3830 3.7569 3.7569 7.2551 7.2551 7.2897 7.2897 18.6157 18.6157 19.1006 19.1006 k = 0.1890 0.5771 0.4823 ( 634 PWs) bands (ev): 3.3497 3.3497 3.7172 3.7172 7.3351 7.3351 7.3734 7.3734 18.4341 18.4341 18.9713 18.9713 k = 0.1829 0.5799 0.4756 ( 636 PWs) bands (ev): 3.3148 3.3148 3.6759 3.6759 7.4214 7.4214 7.4634 7.4634 18.2481 18.2481 18.8320 18.8320 k = 0.1768 0.5826 0.4690 ( 638 PWs) bands (ev): 3.2787 3.2787 3.6334 3.6334 7.5137 7.5137 7.5592 7.5592 18.0583 18.0583 18.6837 18.6837 k = 0.1707 0.5854 0.4623 ( 640 PWs) bands (ev): 3.2415 3.2415 3.5900 3.5900 7.6117 7.6117 7.6603 7.6603 17.8654 17.8654 18.5274 18.5274 k = 0.1646 0.5882 0.4556 ( 640 PWs) bands (ev): 3.2037 3.2037 3.5461 3.5461 7.7150 7.7150 7.7663 7.7663 17.6699 17.6699 18.3638 18.3638 k = 0.1585 0.5910 0.4489 ( 642 PWs) bands (ev): 3.1656 3.1656 3.5021 3.5021 7.8233 7.8233 7.8769 7.8769 17.4721 17.4721 18.1941 18.1941 k = 0.1524 0.5937 0.4422 ( 644 PWs) bands (ev): 3.1274 3.1274 3.4582 3.4582 7.9364 7.9364 7.9915 7.9915 17.2726 17.2726 18.0190 18.0190 k = 0.1463 0.5965 0.4355 ( 644 PWs) bands (ev): 3.0894 3.0894 3.4146 3.4146 8.0539 8.0539 8.1100 8.1100 17.0715 17.0715 17.8395 17.8395 k = 0.1402 0.5993 0.4288 ( 648 PWs) bands (ev): 3.0517 3.0517 3.3717 3.3717 8.1756 8.1756 8.2319 8.2319 16.8692 16.8692 17.6562 17.6562 k = 0.1341 0.6021 0.4221 ( 648 PWs) bands (ev): 3.0147 3.0147 3.3297 3.3297 8.3012 8.3012 8.3569 8.3569 16.6661 16.6661 17.4699 17.4699 k = 0.1280 0.6048 0.4154 ( 644 PWs) bands (ev): 2.9783 2.9783 3.2886 3.2886 8.4305 8.4305 8.4847 8.4847 16.4622 16.4622 17.2815 17.2815 k = 0.1220 0.6076 0.4087 ( 644 PWs) bands (ev): 2.9429 2.9429 3.2487 3.2487 8.5632 8.5632 8.6151 8.6151 16.2580 16.2580 17.0915 17.0915 k = 0.1159 0.6104 0.4020 ( 646 PWs) bands (ev): 2.9086 2.9086 3.2101 3.2101 8.6991 8.6991 8.7476 8.7476 16.0536 16.0536 16.9007 16.9007 k = 0.1098 0.6132 0.3953 ( 646 PWs) bands (ev): 2.8754 2.8754 3.1729 3.1729 8.8379 8.8379 8.8821 8.8821 15.8494 15.8494 16.7096 16.7096 k = 0.1037 0.6159 0.3886 ( 644 PWs) bands (ev): 2.8435 2.8435 3.1373 3.1373 8.9793 8.9793 9.0182 9.0182 15.6455 15.6455 16.5190 16.5190 k = 0.0976 0.6187 0.3819 ( 644 PWs) bands (ev): 2.8130 2.8130 3.1033 3.1033 9.1228 9.1228 9.1558 9.1558 15.4423 15.4423 16.3294 16.3294 k = 0.0915 0.6215 0.3752 ( 644 PWs) bands (ev): 2.7839 2.7839 3.0710 3.0710 9.2676 9.2676 9.2950 9.2950 15.2400 15.2400 16.1416 16.1416 k = 0.0854 0.6243 0.3685 ( 644 PWs) bands (ev): 2.7565 2.7565 3.0405 3.0405 9.4121 9.4121 9.4367 9.4367 15.0390 15.0390 15.9563 15.9563 k = 0.0793 0.6270 0.3618 ( 644 PWs) bands (ev): 2.7306 2.7306 3.0118 3.0118 9.5540 9.5540 9.5822 9.5822 14.8397 14.8397 15.7741 15.7741 k = 0.0732 0.6298 0.3551 ( 644 PWs) bands (ev): 2.7065 2.7065 2.9851 2.9851 9.6923 9.6923 9.7314 9.7314 14.6424 14.6424 15.5959 15.5959 k = 0.0671 0.6326 0.3484 ( 642 PWs) bands (ev): 2.6841 2.6841 2.9604 2.9604 9.8272 9.8272 9.8829 9.8829 14.4477 14.4477 15.4227 15.4227 k = 0.0610 0.6354 0.3417 ( 642 PWs) bands (ev): 2.6635 2.6635 2.9376 2.9376 9.9586 9.9586 10.0354 10.0354 14.2561 14.2561 15.2555 15.2555 k = 0.0549 0.6381 0.3350 ( 642 PWs) bands (ev): 2.6448 2.6448 2.9170 2.9170 10.0857 10.0857 10.1878 10.1878 14.0685 14.0685 15.0954 15.0954 k = 0.0488 0.6409 0.3283 ( 644 PWs) bands (ev): 2.6279 2.6279 2.8984 2.8984 10.2074 10.2074 10.3389 10.3389 13.8859 13.8859 14.9439 14.9439 k = 0.0427 0.6437 0.3216 ( 644 PWs) bands (ev): 2.6130 2.6130 2.8819 2.8819 10.3221 10.3221 10.4874 10.4874 13.7096 13.7096 14.8026 14.8026 k = 0.0366 0.6465 0.3149 ( 640 PWs) bands (ev): 2.5999 2.5999 2.8676 2.8676 10.4282 10.4282 10.6315 10.6315 13.5414 13.5414 14.6734 14.6734 k = 0.0305 0.6492 0.3082 ( 638 PWs) bands (ev): 2.5889 2.5889 2.8554 2.8554 10.5236 10.5236 10.7683 10.7683 13.3842 13.3842 14.5582 14.5582 k = 0.0244 0.6520 0.3015 ( 638 PWs) bands (ev): 2.5798 2.5798 2.8455 2.8455 10.6062 10.6062 10.8943 10.8943 13.2414 13.2414 14.4594 14.4594 k = 0.0183 0.6548 0.2948 ( 640 PWs) bands (ev): 2.5727 2.5727 2.8377 2.8377 10.6736 10.6736 11.0044 11.0044 13.1183 13.1183 14.3793 14.3793 k = 0.0122 0.6576 0.2881 ( 640 PWs) bands (ev): 2.5677 2.5677 2.8321 2.8321 10.7238 10.7238 11.0917 11.0917 13.0217 13.0217 14.3201 14.3201 k = 0.0061 0.6603 0.2814 ( 636 PWs) bands (ev): 2.5646 2.5646 2.8288 2.8288 10.7547 10.7547 11.1487 11.1487 12.9591 12.9591 14.2837 14.2837 k = 0.0000 0.6631 0.2747 ( 638 PWs) bands (ev): 2.5636 2.5636 2.8277 2.8277 10.7651 10.7651 11.1686 11.1686 12.9374 12.9374 14.2715 14.2715 k = 0.0000 0.6631 0.2747 ( 638 PWs) bands (ev): 2.5636 2.5636 2.8277 2.8277 10.7651 10.7651 11.1686 11.1686 12.9374 12.9374 14.2715 14.2715 k =-0.0074 0.6607 0.2804 ( 640 PWs) bands (ev): 2.5645 2.5645 2.8293 2.8293 10.7508 10.7508 11.1589 11.1589 12.9543 12.9543 14.2825 14.2825 k =-0.0147 0.6584 0.2861 ( 642 PWs) bands (ev): 2.5670 2.5670 2.8340 2.8340 10.7089 10.7089 11.1301 11.1301 13.0040 13.0040 14.3152 14.3152 k =-0.0221 0.6560 0.2918 ( 643 PWs) bands (ev): 2.5713 2.5713 2.8418 2.8418 10.6430 10.6430 11.0836 11.0836 13.0829 13.0829 14.3683 14.3683 k =-0.0295 0.6536 0.2976 ( 643 PWs) bands (ev): 2.5772 2.5772 2.8528 2.8528 10.5575 10.5575 11.0210 11.0210 13.1868 13.1868 14.4399 14.4399 k =-0.0368 0.6513 0.3033 ( 643 PWs) bands (ev): 2.5849 2.5849 2.8668 2.8668 10.4567 10.4567 10.9444 10.9444 13.3110 13.3110 14.5277 14.5277 k =-0.0442 0.6489 0.3090 ( 641 PWs) bands (ev): 2.5944 2.5944 2.8839 2.8839 10.3445 10.3445 10.8559 10.8559 13.4517 13.4517 14.6294 14.6294 k =-0.0516 0.6465 0.3147 ( 643 PWs) bands (ev): 2.6056 2.6056 2.9041 2.9041 10.2242 10.2242 10.7576 10.7576 13.6058 13.6058 14.7425 14.7425 k =-0.0589 0.6442 0.3204 ( 646 PWs) bands (ev): 2.6186 2.6186 2.9272 2.9272 10.0980 10.0980 10.6512 10.6512 13.7708 13.7708 14.8646 14.8646 k =-0.0663 0.6418 0.3262 ( 646 PWs) bands (ev): 2.6333 2.6333 2.9533 2.9533 9.9680 9.9680 10.5383 10.5383 13.9449 13.9449 14.9935 14.9935 k =-0.0737 0.6394 0.3319 ( 646 PWs) bands (ev): 2.6499 2.6499 2.9824 2.9824 9.8354 9.8354 10.4204 10.4204 14.1266 14.1266 15.1266 15.1266 k =-0.0810 0.6370 0.3376 ( 646 PWs) bands (ev): 2.6682 2.6682 3.0143 3.0143 9.7015 9.7015 10.2984 10.2984 14.3149 14.3149 15.2613 15.2613 k =-0.0884 0.6347 0.3433 ( 646 PWs) bands (ev): 2.6883 2.6883 3.0492 3.0492 9.5669 9.5669 10.1733 10.1733 14.5089 14.5089 15.3945 15.3945 k =-0.0958 0.6323 0.3491 ( 644 PWs) bands (ev): 2.7102 2.7102 3.0868 3.0868 9.4322 9.4322 10.0459 10.0459 14.7080 14.7080 15.5219 15.5219 k =-0.1031 0.6299 0.3548 ( 644 PWs) bands (ev): 2.7338 2.7338 3.1274 3.1274 9.2981 9.2981 9.9168 9.9168 14.9116 14.9116 15.6379 15.6379 k =-0.1105 0.6276 0.3605 ( 644 PWs) bands (ev): 2.7591 2.7591 3.1707 3.1707 9.1648 9.1648 9.7865 9.7865 15.1195 15.1195 15.7343 15.7343 k =-0.1179 0.6252 0.3662 ( 642 PWs) bands (ev): 2.7862 2.7862 3.2168 3.2168 9.0327 9.0327 9.6554 9.6554 15.3312 15.3312 15.8004 15.8004 k =-0.1252 0.6228 0.3720 ( 642 PWs) bands (ev): 2.8148 2.8148 3.2657 3.2657 8.9020 8.9020 9.5238 9.5238 15.5465 15.5465 15.8234 15.8234 k =-0.1326 0.6204 0.3777 ( 646 PWs) bands (ev): 2.8451 2.8451 3.3173 3.3173 8.7729 8.7729 9.3920 9.3920 15.7639 15.7639 15.7939 15.7939 k =-0.1399 0.6181 0.3834 ( 646 PWs) bands (ev): 2.8769 2.8769 3.3717 3.3717 8.6455 8.6455 9.2602 9.2602 15.7057 15.7057 15.9873 15.9873 k =-0.1473 0.6157 0.3891 ( 644 PWs) bands (ev): 2.9102 2.9102 3.4289 3.4289 8.5200 8.5200 9.1287 9.1287 15.5708 15.5708 16.2120 16.2120 k =-0.1547 0.6133 0.3948 ( 646 PWs) bands (ev): 2.9449 2.9449 3.4887 3.4887 8.3966 8.3966 8.9975 8.9975 15.3999 15.3999 16.4397 16.4397 k =-0.1620 0.6110 0.4006 ( 645 PWs) bands (ev): 2.9809 2.9809 3.5513 3.5513 8.2752 8.2752 8.8668 8.8668 15.2050 15.2050 16.6700 16.6700 k =-0.1694 0.6086 0.4063 ( 645 PWs) bands (ev): 3.0181 3.0181 3.6166 3.6166 8.1561 8.1561 8.7366 8.7366 14.9949 14.9949 16.9029 16.9029 k =-0.1768 0.6062 0.4120 ( 646 PWs) bands (ev): 3.0564 3.0564 3.6845 3.6845 8.0391 8.0391 8.6070 8.6070 14.7761 14.7761 17.1383 17.1383 k =-0.1841 0.6039 0.4177 ( 644 PWs) bands (ev): 3.0956 3.0956 3.7552 3.7552 7.9245 7.9245 8.4781 8.4781 14.5528 14.5528 17.3760 17.3760 k =-0.1915 0.6015 0.4235 ( 644 PWs) bands (ev): 3.1358 3.1358 3.8285 3.8285 7.8122 7.8122 8.3500 8.3500 14.3279 14.3279 17.6158 17.6158 k =-0.1989 0.5991 0.4292 ( 646 PWs) bands (ev): 3.1765 3.1765 3.9045 3.9045 7.7023 7.7023 8.2225 8.2225 14.1034 14.1034 17.8577 17.8577 k =-0.2062 0.5967 0.4349 ( 646 PWs) bands (ev): 3.2178 3.2178 3.9832 3.9832 7.5948 7.5948 8.0959 8.0959 13.8808 13.8808 18.1015 18.1015 k =-0.2136 0.5944 0.4406 ( 646 PWs) bands (ev): 3.2594 3.2594 4.0645 4.0645 7.4897 7.4897 7.9701 7.9701 13.6614 13.6614 18.3470 18.3470 k =-0.2210 0.5920 0.4463 ( 646 PWs) bands (ev): 3.3011 3.3011 4.1485 4.1485 7.3872 7.3872 7.8451 7.8451 13.4460 13.4460 18.5941 18.5941 k =-0.2283 0.5896 0.4521 ( 646 PWs) bands (ev): 3.3426 3.3426 4.2352 4.2352 7.2871 7.2871 7.7210 7.7210 13.2353 13.2353 18.8426 18.8426 k =-0.2357 0.5873 0.4578 ( 648 PWs) bands (ev): 3.3837 3.3837 4.3244 4.3244 7.1896 7.1896 7.5978 7.5978 13.0301 13.0301 19.0922 19.0922 k =-0.2431 0.5849 0.4635 ( 648 PWs) bands (ev): 3.4240 3.4240 4.4164 4.4164 7.0946 7.0946 7.4757 7.4757 12.8309 12.8309 19.3427 19.3427 k =-0.2504 0.5825 0.4692 ( 648 PWs) bands (ev): 3.4632 3.4632 4.5109 4.5109 7.0022 7.0022 7.3547 7.3547 12.6382 12.6382 19.5938 19.5938 k =-0.2578 0.5802 0.4750 ( 648 PWs) bands (ev): 3.5008 3.5008 4.6080 4.6080 6.9124 6.9124 7.2350 7.2350 12.4524 12.4524 19.8451 19.8451 k =-0.2652 0.5778 0.4807 ( 646 PWs) bands (ev): 3.5364 3.5364 4.7078 4.7078 6.8251 6.8251 7.1168 7.1168 12.2741 12.2741 20.0962 20.0962 k =-0.2725 0.5754 0.4864 ( 646 PWs) bands (ev): 3.5695 3.5695 4.8102 4.8102 6.7404 6.7404 7.0004 7.0004 12.1037 12.1037 20.3465 20.3465 k =-0.2799 0.5730 0.4921 ( 644 PWs) bands (ev): 3.5994 3.5994 4.9152 4.9152 6.6584 6.6584 6.8861 6.8861 11.9415 11.9415 20.5954 20.5954 k =-0.2873 0.5707 0.4978 ( 643 PWs) bands (ev): 3.6255 3.6255 5.0227 5.0227 6.5789 6.5789 6.7744 6.7744 11.7879 11.7879 20.8419 20.8419 k =-0.2946 0.5683 0.5036 ( 643 PWs) bands (ev): 3.6470 3.6470 5.1329 5.1329 6.5020 6.5020 6.6657 6.6657 11.6432 11.6432 21.0850 21.0850 k =-0.3020 0.5659 0.5093 ( 641 PWs) bands (ev): 3.6632 3.6632 5.2456 5.2456 6.4277 6.4277 6.5607 6.5607 11.5078 11.5078 21.3232 21.3232 k =-0.3094 0.5636 0.5150 ( 643 PWs) bands (ev): 3.6730 3.6730 5.3609 5.3609 6.3559 6.3559 6.4601 6.4601 11.3820 11.3820 21.5548 21.5548 k =-0.3167 0.5612 0.5207 ( 641 PWs) bands (ev): 3.6755 3.6755 5.4788 5.4788 6.2866 6.2866 6.3648 6.3648 11.2660 11.2660 21.7775 21.7775 k =-0.3241 0.5588 0.5265 ( 641 PWs) bands (ev): 3.6698 3.6698 5.5991 5.5991 6.2196 6.2196 6.2758 6.2758 11.1600 11.1600 21.9883 21.9883 k =-0.3315 0.5565 0.5322 ( 641 PWs) bands (ev): 3.6549 3.6549 5.7220 5.7220 6.1545 6.1545 6.1942 6.1942 11.0643 11.0643 22.1839 22.1839 k =-0.3388 0.5541 0.5379 ( 641 PWs) bands (ev): 3.6299 3.6299 5.8471 5.8471 6.0913 6.0913 6.1211 6.1211 10.9790 10.9790 22.3602 22.3602 k =-0.3462 0.5517 0.5436 ( 641 PWs) bands (ev): 3.5940 3.5940 5.9723 5.9723 6.0324 6.0324 6.0570 6.0570 10.9042 10.9042 22.5123 22.5123 k =-0.3536 0.5493 0.5493 ( 641 PWs) bands (ev): 3.5469 3.5469 5.9707 5.9707 5.9983 5.9983 6.1086 6.1086 10.8401 10.8401 22.6405 22.6405 k =-0.3536 0.5493 0.5493 ( 641 PWs) bands (ev): 3.5469 3.5469 5.9707 5.9707 5.9983 5.9983 6.1086 6.1086 10.8401 10.8401 22.6405 22.6405 k =-0.3575 0.5406 0.5493 ( 641 PWs) bands (ev): 3.4507 3.4507 5.8736 5.8736 5.9005 5.9005 6.3492 6.3492 10.7337 10.7337 22.8597 22.8597 k =-0.3615 0.5319 0.5493 ( 641 PWs) bands (ev): 3.3565 3.3565 5.7786 5.7786 5.8054 5.8054 6.5935 6.5935 10.6301 10.6301 23.0809 23.0810 k =-0.3654 0.5232 0.5493 ( 641 PWs) bands (ev): 3.2645 3.2645 5.6861 5.6861 5.7128 5.7128 6.8405 6.8405 10.5295 10.5295 23.3040 23.3040 k =-0.3694 0.5146 0.5493 ( 641 PWs) bands (ev): 3.1748 3.1748 5.5962 5.5962 5.6229 5.6229 7.0902 7.0902 10.4318 10.4318 23.5290 23.5290 k =-0.3733 0.5059 0.5493 ( 649 PWs) bands (ev): 3.0874 3.0874 5.5089 5.5089 5.5357 5.5357 7.3424 7.3424 10.3369 10.3369 23.7557 23.7557 k =-0.3773 0.4972 0.5493 ( 649 PWs) bands (ev): 3.0025 3.0025 5.4243 5.4243 5.4511 5.4511 7.5970 7.5970 10.2450 10.2450 23.9842 23.9842 k =-0.3813 0.4885 0.5493 ( 649 PWs) bands (ev): 2.9201 2.9201 5.3424 5.3424 5.3691 5.3691 7.8540 7.8540 10.1559 10.1559 24.2142 24.2142 k =-0.3852 0.4798 0.5493 ( 649 PWs) bands (ev): 2.8402 2.8402 5.2631 5.2631 5.2898 5.2898 8.1134 8.1134 10.0698 10.0698 24.4458 24.4458 k =-0.3892 0.4711 0.5493 ( 649 PWs) bands (ev): 2.7628 2.7628 5.1864 5.1864 5.2132 5.2132 8.3751 8.3751 9.9865 9.9865 24.6786 24.6787 k =-0.3931 0.4624 0.5493 ( 649 PWs) bands (ev): 2.6880 2.6880 5.1125 5.1125 5.1392 5.1392 8.6390 8.6390 9.9062 9.9062 24.9127 24.9127 k =-0.3971 0.4537 0.5493 ( 653 PWs) bands (ev): 2.6157 2.6157 5.0412 5.0412 5.0679 5.0679 8.9051 8.9051 9.8287 9.8287 25.1464 25.1464 k =-0.4010 0.4450 0.5493 ( 649 PWs) bands (ev): 2.5461 2.5461 4.9725 4.9725 4.9992 4.9992 9.1735 9.1735 9.7542 9.7542 24.9275 24.9275 k =-0.4050 0.4363 0.5493 ( 649 PWs) bands (ev): 2.4792 2.4792 4.9066 4.9066 4.9333 4.9333 9.4439 9.4439 9.6826 9.6826 24.6116 24.6116 k =-0.4090 0.4276 0.5493 ( 649 PWs) bands (ev): 2.4148 2.4148 4.8433 4.8433 4.8700 4.8700 9.6139 9.6139 9.7165 9.7165 24.2910 24.2910 k =-0.4129 0.4189 0.5493 ( 649 PWs) bands (ev): 2.3531 2.3531 4.7827 4.7827 4.8094 4.8094 9.5481 9.5481 9.9912 9.9912 23.9669 23.9669 k =-0.4169 0.4102 0.5493 ( 649 PWs) bands (ev): 2.2941 2.2941 4.7247 4.7247 4.7515 4.7515 9.4853 9.4853 10.2678 10.2678 23.6403 23.6403 k =-0.4208 0.4015 0.5493 ( 649 PWs) bands (ev): 2.2378 2.2378 4.6695 4.6695 4.6962 4.6962 9.4253 9.4253 10.5464 10.5464 23.3117 23.3117 k =-0.4248 0.3928 0.5493 ( 649 PWs) bands (ev): 2.1841 2.1841 4.6169 4.6169 4.6437 4.6437 9.3683 9.3683 10.8269 10.8269 22.9818 22.9818 k =-0.4288 0.3841 0.5493 ( 633 PWs) bands (ev): 2.1332 2.1332 4.5670 4.5670 4.5938 4.5938 9.3142 9.3142 11.1094 11.1094 22.6511 22.6511 k =-0.4327 0.3754 0.5493 ( 633 PWs) bands (ev): 2.0849 2.0849 4.5198 4.5198 4.5466 4.5466 9.2630 9.2630 11.3935 11.3935 22.3201 22.3201 k =-0.4367 0.3667 0.5493 ( 633 PWs) bands (ev): 2.0394 2.0394 4.4753 4.4753 4.5021 4.5021 9.2147 9.2147 11.6793 11.6793 21.9890 21.9890 k =-0.4406 0.3580 0.5493 ( 633 PWs) bands (ev): 1.9966 1.9966 4.4335 4.4335 4.4603 4.4603 9.1694 9.1694 11.9667 11.9667 21.6583 21.6583 k =-0.4446 0.3493 0.5493 ( 633 PWs) bands (ev): 1.9565 1.9565 4.3944 4.3944 4.4212 4.4212 9.1269 9.1269 12.2555 12.2555 21.3282 21.3282 k =-0.4485 0.3406 0.5493 ( 633 PWs) bands (ev): 1.9192 1.9192 4.3580 4.3580 4.3848 4.3848 9.0874 9.0874 12.5456 12.5456 20.9992 20.9992 k =-0.4525 0.3319 0.5493 ( 633 PWs) bands (ev): 1.8846 1.8846 4.3243 4.3243 4.3511 4.3511 9.0508 9.0508 12.8368 12.8368 20.6715 20.6715 k =-0.4565 0.3232 0.5493 ( 633 PWs) bands (ev): 1.8527 1.8527 4.2932 4.2932 4.3200 4.3200 9.0172 9.0172 13.1288 13.1288 20.3455 20.3455 k =-0.4604 0.3145 0.5493 ( 633 PWs) bands (ev): 1.8237 1.8237 4.2649 4.2649 4.2917 4.2917 8.9864 8.9864 13.4213 13.4213 20.0218 20.0218 k =-0.4644 0.3058 0.5493 ( 641 PWs) bands (ev): 1.7973 1.7973 4.2392 4.2392 4.2661 4.2661 8.9586 8.9586 13.7137 13.7137 19.7009 19.7009 k =-0.4683 0.2971 0.5493 ( 629 PWs) bands (ev): 1.7737 1.7737 4.2163 4.2163 4.2431 4.2431 8.9338 8.9338 14.0053 14.0053 19.3835 19.3835 k =-0.4723 0.2884 0.5493 ( 629 PWs) bands (ev): 1.7529 1.7529 4.1960 4.1960 4.2229 4.2229 8.9118 8.9118 14.2952 14.2952 19.0708 19.0708 k =-0.4763 0.2797 0.5493 ( 629 PWs) bands (ev): 1.7349 1.7349 4.1785 4.1785 4.2053 4.2053 8.8928 8.8928 14.5816 14.5816 18.7645 18.7645 k =-0.4802 0.2710 0.5493 ( 629 PWs) bands (ev): 1.7196 1.7196 4.1637 4.1637 4.1905 4.1905 8.8767 8.8767 14.8620 14.8620 18.4672 18.4672 k =-0.4842 0.2623 0.5493 ( 629 PWs) bands (ev): 1.7071 1.7071 4.1515 4.1515 4.1783 4.1783 8.8635 8.8635 15.1319 15.1319 18.1835 18.1835 k =-0.4881 0.2536 0.5493 ( 629 PWs) bands (ev): 1.6974 1.6974 4.1421 4.1421 4.1689 4.1689 8.8532 8.8532 15.3830 15.3830 17.9215 17.9215 k =-0.4921 0.2449 0.5493 ( 630 PWs) bands (ev): 1.6905 1.6905 4.1353 4.1353 4.1621 4.1621 8.8459 8.8459 15.6003 15.6003 17.6965 17.6965 k =-0.4960 0.2362 0.5493 ( 630 PWs) bands (ev): 1.6863 1.6863 4.1313 4.1313 4.1581 4.1581 8.8415 8.8415 15.7568 15.7568 17.5353 17.5353 k =-0.5000 0.2275 0.5493 ( 630 PWs) bands (ev): 1.6849 1.6849 4.1299 4.1299 4.1567 4.1567 8.8401 8.8401 15.8156 15.8156 17.4749 17.4749 k = 0.0000 0.0000 0.5493 ( 628 PWs) bands (ev): -1.7983 -1.7983 1.3757 1.3757 14.1737 14.1737 16.9582 16.9582 18.0835 18.0835 19.5487 19.5487 k = 0.0040 0.0087 0.5493 ( 630 PWs) bands (ev): -1.7969 -1.7969 1.3771 1.3771 14.1742 14.1742 16.9365 16.9365 18.0900 18.0900 19.5500 19.5500 k = 0.0079 0.0174 0.5493 ( 630 PWs) bands (ev): -1.7926 -1.7926 1.3813 1.3813 14.1756 14.1756 16.8736 16.8736 18.1081 18.1081 19.5539 19.5539 k = 0.0119 0.0262 0.5493 ( 634 PWs) bands (ev): -1.7855 -1.7855 1.3883 1.3883 14.1780 14.1780 16.7745 16.7745 18.1345 18.1345 19.5603 19.5603 k = 0.0159 0.0349 0.5493 ( 638 PWs) bands (ev): -1.7754 -1.7754 1.3981 1.3981 14.1813 14.1813 16.6453 16.6453 18.1658 18.1658 19.5693 19.5693 k = 0.0198 0.0436 0.5493 ( 638 PWs) bands (ev): -1.7626 -1.7626 1.4107 1.4107 14.1854 14.1854 16.4918 16.4918 18.1995 18.1995 19.5809 19.5809 k = 0.0238 0.0523 0.5493 ( 638 PWs) bands (ev): -1.7468 -1.7468 1.4260 1.4260 14.1903 14.1903 16.3186 16.3186 18.2341 18.2341 19.5950 19.5950 k = 0.0278 0.0610 0.5493 ( 638 PWs) bands (ev): -1.7282 -1.7282 1.4442 1.4442 14.1958 14.1958 16.1296 16.1296 18.2691 18.2691 19.6117 19.6117 k = 0.0317 0.0698 0.5493 ( 638 PWs) bands (ev): -1.7068 -1.7068 1.4652 1.4652 14.2017 14.2017 15.9280 15.9280 18.3041 18.3041 19.6310 19.6310 k = 0.0357 0.0785 0.5493 ( 634 PWs) bands (ev): -1.6825 -1.6825 1.4890 1.4890 14.2079 14.2079 15.7161 15.7161 18.3395 18.3395 19.6528 19.6528 k = 0.0397 0.0872 0.5493 ( 634 PWs) bands (ev): -1.6553 -1.6553 1.5156 1.5156 14.2142 14.2142 15.4960 15.4960 18.3753 18.3753 19.6771 19.6771 k = 0.0437 0.0959 0.5493 ( 634 PWs) bands (ev): -1.6253 -1.6253 1.5450 1.5450 14.2204 14.2204 15.2693 15.2693 18.4119 18.4119 19.7039 19.7039 k = 0.0476 0.1046 0.5493 ( 634 PWs) bands (ev): -1.5924 -1.5924 1.5772 1.5772 14.2259 14.2259 15.0374 15.0374 18.4495 18.4495 19.7333 19.7333 k = 0.0516 0.1134 0.5493 ( 636 PWs) bands (ev): -1.5567 -1.5567 1.6122 1.6122 14.2305 14.2305 14.8013 14.8013 18.4883 18.4883 19.7651 19.7651 k = 0.0556 0.1221 0.5493 ( 636 PWs) bands (ev): -1.5181 -1.5181 1.6500 1.6500 14.2335 14.2335 14.5621 14.5621 18.5286 18.5286 19.6817 19.6817 k = 0.0595 0.1308 0.5493 ( 636 PWs) bands (ev): -1.4767 -1.4767 1.6905 1.6905 14.2319 14.2319 14.3231 14.3231 18.5703 18.5703 19.4224 19.4224 k = 0.0635 0.1395 0.5493 ( 638 PWs) bands (ev): -1.4325 -1.4325 1.7339 1.7339 14.0721 14.0721 14.2377 14.2377 18.6137 18.6137 19.1683 19.1683 k = 0.0675 0.1482 0.5493 ( 638 PWs) bands (ev): -1.3854 -1.3854 1.7801 1.7801 13.8278 13.8278 14.2322 14.2322 18.6589 18.6589 18.9205 18.9205 k = 0.0714 0.1570 0.5493 ( 638 PWs) bands (ev): -1.3355 -1.3355 1.8290 1.8290 13.5814 13.5814 14.2235 14.2235 18.6801 18.6801 18.7060 18.7060 k = 0.0754 0.1657 0.5493 ( 638 PWs) bands (ev): -1.2828 -1.2828 1.8808 1.8808 13.3341 13.3341 14.2097 14.2097 18.4487 18.4487 18.7549 18.7549 k = 0.0794 0.1744 0.5493 ( 638 PWs) bands (ev): -1.2272 -1.2272 1.9353 1.9353 13.0865 13.0865 14.1896 14.1896 18.2275 18.2275 18.8057 18.8057 k = 0.0833 0.1831 0.5493 ( 638 PWs) bands (ev): -1.1688 -1.1688 1.9927 1.9927 12.8387 12.8387 14.1617 14.1617 18.0182 18.0182 18.8584 18.8584 k = 0.0873 0.1918 0.5493 ( 636 PWs) bands (ev): -1.1076 -1.1076 2.0528 2.0528 12.5910 12.5910 14.1245 14.1245 17.8222 17.8222 18.9131 18.9131 k = 0.0913 0.2006 0.5493 ( 636 PWs) bands (ev): -1.0436 -1.0436 2.1157 2.1157 12.3438 12.3438 14.0765 14.0765 17.6415 17.6415 18.9698 18.9698 k = 0.0952 0.2093 0.5493 ( 632 PWs) bands (ev): -0.9768 -0.9768 2.1814 2.1814 12.0971 12.0971 14.0162 14.0162 17.4774 17.4774 19.0283 19.0283 k = 0.0992 0.2180 0.5493 ( 632 PWs) bands (ev): -0.9072 -0.9072 2.2499 2.2499 11.8511 11.8511 13.9422 13.9422 17.3315 17.3315 19.0888 19.0888 k = 0.1032 0.2267 0.5493 ( 632 PWs) bands (ev): -0.8348 -0.8348 2.3212 2.3212 11.6060 11.6060 13.8535 13.8535 17.2049 17.2049 19.1511 19.1511 k = 0.1071 0.2354 0.5493 ( 632 PWs) bands (ev): -0.7596 -0.7596 2.3953 2.3953 11.3619 11.3619 13.7496 13.7496 17.0981 17.0981 19.2153 19.2153 k = 0.1111 0.2442 0.5493 ( 632 PWs) bands (ev): -0.6816 -0.6816 2.4721 2.4721 11.1188 11.1188 13.6305 13.6305 17.0113 17.0113 19.2813 19.2813 k = 0.1151 0.2529 0.5493 ( 632 PWs) bands (ev): -0.6009 -0.6009 2.5518 2.5518 10.8770 10.8770 13.4966 13.4966 16.9440 16.9440 19.3489 19.3490 k = 0.1190 0.2616 0.5493 ( 636 PWs) bands (ev): -0.5173 -0.5173 2.6342 2.6342 10.6365 10.6365 13.3490 13.3490 16.8952 16.8952 19.4183 19.4183 k = 0.1230 0.2703 0.5493 ( 636 PWs) bands (ev): -0.4311 -0.4311 2.7194 2.7194 10.3974 10.3974 13.1891 13.1891 16.8635 16.8635 19.4893 19.4893 k = 0.1270 0.2790 0.5493 ( 644 PWs) bands (ev): -0.3420 -0.3420 2.8074 2.8074 10.1597 10.1597 13.0183 13.0183 16.8477 16.8477 19.5618 19.5618 k = 0.1310 0.2878 0.5493 ( 644 PWs) bands (ev): -0.2502 -0.2502 2.8981 2.8981 9.9235 9.9235 12.8383 12.8383 16.8459 16.8459 19.6357 19.6357 k = 0.1349 0.2965 0.5493 ( 644 PWs) bands (ev): -0.1557 -0.1557 2.9916 2.9916 9.6890 9.6890 12.6505 12.6505 16.8569 16.8569 19.7110 19.7110 k = 0.1389 0.3052 0.5493 ( 644 PWs) bands (ev): -0.0584 -0.0584 3.0879 3.0879 9.4561 9.4561 12.4565 12.4565 16.8791 16.8791 19.7875 19.7875 k = 0.1429 0.3139 0.5493 ( 644 PWs) bands (ev): 0.0416 0.0416 3.1870 3.1870 9.2249 9.2249 12.2574 12.2574 16.9113 16.9113 19.8652 19.8652 k = 0.1468 0.3226 0.5493 ( 644 PWs) bands (ev): 0.1444 0.1444 3.2888 3.2888 8.9955 8.9955 12.0544 12.0544 16.9525 16.9525 19.9438 19.9438 k = 0.1508 0.3313 0.5493 ( 644 PWs) bands (ev): 0.2498 0.2498 3.3934 3.3934 8.7680 8.7680 11.8485 11.8485 17.0016 17.0016 20.0233 20.0233 k = 0.1548 0.3401 0.5493 ( 644 PWs) bands (ev): 0.3579 0.3579 3.5008 3.5008 8.5422 8.5422 11.6404 11.6404 17.0580 17.0580 20.1035 20.1035 k = 0.1587 0.3488 0.5493 ( 644 PWs) bands (ev): 0.4687 0.4687 3.6109 3.6109 8.3184 8.3184 11.4309 11.4309 17.1208 17.1208 20.1842 20.1842 k = 0.1627 0.3575 0.5493 ( 644 PWs) bands (ev): 0.5822 0.5822 3.7238 3.7238 8.0965 8.0965 11.2204 11.2204 17.1897 17.1897 20.2653 20.2653 k = 0.1667 0.3662 0.5493 ( 640 PWs) bands (ev): 0.6984 0.6984 3.8394 3.8394 7.8767 7.8767 11.0096 11.0096 17.2640 17.2640 20.3465 20.3465 k = 0.1706 0.3749 0.5493 ( 640 PWs) bands (ev): 0.8173 0.8173 3.9578 3.9578 7.6588 7.6588 10.7989 10.7989 17.3433 17.3433 20.4276 20.4276 k = 0.1746 0.3837 0.5493 ( 642 PWs) bands (ev): 0.9387 0.9387 4.0789 4.0789 7.4430 7.4430 10.5886 10.5886 17.4274 17.4274 20.5084 20.5084 k = 0.1786 0.3924 0.5493 ( 642 PWs) bands (ev): 1.0628 1.0628 4.2027 4.2027 7.2292 7.2292 10.3789 10.3789 17.5159 17.5159 20.5886 20.5886 k = 0.1825 0.4011 0.5493 ( 642 PWs) bands (ev): 1.1896 1.1896 4.3293 4.3293 7.0177 7.0177 10.1702 10.1702 17.6085 17.6085 20.6679 20.6679 k = 0.1865 0.4098 0.5493 ( 642 PWs) bands (ev): 1.3189 1.3189 4.4586 4.4586 6.8082 6.8082 9.9627 9.9627 17.7051 17.7051 20.7460 20.7460 k = 0.1905 0.4185 0.5493 ( 638 PWs) bands (ev): 1.4508 1.4508 4.5906 4.5906 6.6010 6.6010 9.7565 9.7565 17.8056 17.8056 20.8226 20.8226 k = 0.1944 0.4273 0.5493 ( 642 PWs) bands (ev): 1.5852 1.5852 4.7254 4.7254 6.3960 6.3960 9.5519 9.5519 17.9096 17.9096 20.8973 20.8973 k = 0.1984 0.4360 0.5493 ( 642 PWs) bands (ev): 1.7222 1.7222 4.8628 4.8628 6.1933 6.1933 9.3489 9.3489 18.0171 18.0171 20.9697 20.9697 k = 0.2024 0.4447 0.5493 ( 646 PWs) bands (ev): 1.8617 1.8617 5.0030 5.0030 5.9930 5.9930 9.1478 9.1478 18.1279 18.1279 21.0394 21.0394 k = 0.2063 0.4534 0.5493 ( 646 PWs) bands (ev): 2.0036 2.0036 5.1458 5.1458 5.7950 5.7950 8.9485 8.9485 18.2421 18.2421 21.1059 21.1059 k = 0.2103 0.4621 0.5493 ( 646 PWs) bands (ev): 2.1479 2.1479 5.2912 5.2912 5.5995 5.5995 8.7512 8.7512 18.3594 18.3594 21.1685 21.1685 k = 0.2143 0.4709 0.5493 ( 638 PWs) bands (ev): 2.2946 2.2946 5.4045 5.4045 5.4414 5.4414 8.5559 8.5559 18.4798 18.4798 21.1056 21.1056 k = 0.2183 0.4796 0.5493 ( 638 PWs) bands (ev): 2.4435 2.4435 5.2157 5.2157 5.5907 5.5907 8.3629 8.3629 18.6032 18.6032 20.9386 20.9386 k = 0.2222 0.4883 0.5493 ( 638 PWs) bands (ev): 2.5945 2.5945 5.0281 5.0281 5.7441 5.7441 8.1720 8.1720 18.7295 18.7295 20.7737 20.7737 k = 0.2262 0.4970 0.5493 ( 638 PWs) bands (ev): 2.7473 2.7473 4.8436 4.8436 5.9002 5.9002 7.9833 7.9833 18.8587 18.8587 20.6109 20.6109 k = 0.2302 0.5057 0.5493 ( 642 PWs) bands (ev): 2.9015 2.9015 4.6624 4.6624 6.0590 6.0590 7.7970 7.7970 18.9908 18.9908 20.4505 20.4505 k = 0.2341 0.5145 0.5493 ( 642 PWs) bands (ev): 3.0564 3.0564 4.4855 4.4855 6.2204 6.2204 7.6131 7.6131 19.1256 19.1256 20.2924 20.2924 k = 0.2381 0.5232 0.5493 ( 636 PWs) bands (ev): 3.2102 3.2102 4.3146 4.3146 6.3844 6.3844 7.4315 7.4315 19.2632 19.2632 20.1368 20.1368 k = 0.2421 0.5319 0.5493 ( 636 PWs) bands (ev): 3.3585 3.3585 4.1541 4.1541 6.5509 6.5509 7.2524 7.2524 19.4034 19.4034 19.9838 19.9838 k = 0.2460 0.5406 0.5493 ( 636 PWs) bands (ev): 3.4869 3.4869 4.0183 4.0183 6.7200 6.7200 7.0758 7.0758 19.5460 19.5460 19.8334 19.8334 k = 0.2500 0.5493 0.5493 ( 636 PWs) bands (ev): 3.5464 3.5464 3.9563 3.9563 6.8868 6.8868 6.9064 6.9064 19.6734 19.6734 19.7034 19.7034 Writing output data file Si.save init_run : 0.06s CPU 0.19s WALL ( 1 calls) electrons : 21.53s CPU 22.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 21.52s CPU 22.51s 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 : 0.01s CPU 0.01s WALL ( 545 calls) cegterg : 19.22s CPU 19.83s WALL ( 588 calls) Called by sum_band: Called by *egterg: h_psi : 8.09s CPU 8.50s WALL ( 8374 calls) s_psi : 0.29s CPU 0.30s WALL ( 8374 calls) g_psi : 0.03s CPU 0.02s WALL ( 7241 calls) cdiaghg : 10.38s CPU 10.38s WALL ( 7786 calls) cegterg:over : 0.54s CPU 0.61s WALL ( 7241 calls) cegterg:upda : 0.33s CPU 0.43s WALL ( 7241 calls) cegterg:last : 0.20s CPU 0.23s WALL ( 1659 calls) cdiaghg:chol : 0.61s CPU 0.66s WALL ( 7786 calls) cdiaghg:inve : 0.24s CPU 0.16s WALL ( 7786 calls) cdiaghg:para : 0.88s CPU 0.85s WALL ( 15572 calls) Called by h_psi: h_psi:vloc : 7.42s CPU 7.72s WALL ( 8374 calls) h_psi:vnl : 0.64s CPU 0.75s WALL ( 8374 calls) add_vuspsi : 0.30s CPU 0.36s WALL ( 8374 calls) General routines calbec : 0.31s CPU 0.37s WALL ( 8374 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 7.07s CPU 7.37s WALL ( 249292 calls) davcio : 0.09s CPU 0.18s WALL ( 1090 calls) Parallel routines fft_scatter : 3.97s CPU 4.25s WALL ( 249307 calls) PWSCF : 27.83s CPU 58.90s WALL This run was terminated on: 21:16:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=