Program PWSCF v.5.1.1 starts on 27Aug2015 at 7:31:10 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./GeC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 9 2 338 116 19 Max 18 10 3 343 126 24 Sum 847 433 139 16361 5817 1037 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 6.1333 a.u. unit-cell volume = 163.1453 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.133333 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) C 4.00 12.01070 C( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 455 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0072464 -0.0041837 0.0059166), wk = 0.0021978 k( 3) = ( 0.0144928 -0.0083674 0.0118333), wk = 0.0021978 k( 4) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0021978 k( 5) = ( 0.0289855 -0.0167348 0.0236666), wk = 0.0021978 k( 6) = ( 0.0362319 -0.0209185 0.0295832), wk = 0.0021978 k( 7) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0021978 k( 8) = ( 0.0507246 -0.0292859 0.0414165), wk = 0.0021978 k( 9) = ( 0.0579710 -0.0334696 0.0473331), wk = 0.0021978 k( 10) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0021978 k( 11) = ( 0.0724638 -0.0418370 0.0591664), wk = 0.0021978 k( 12) = ( 0.0797101 -0.0460207 0.0650831), wk = 0.0021978 k( 13) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0021978 k( 14) = ( 0.0942029 -0.0543881 0.0769163), wk = 0.0021978 k( 15) = ( 0.1014493 -0.0585718 0.0828330), wk = 0.0021978 k( 16) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0021978 k( 17) = ( 0.1159420 -0.0669392 0.0946663), wk = 0.0021978 k( 18) = ( 0.1231884 -0.0711229 0.1005829), wk = 0.0021978 k( 19) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0021978 k( 20) = ( 0.1376812 -0.0794903 0.1124162), wk = 0.0021978 k( 21) = ( 0.1449275 -0.0836740 0.1183328), wk = 0.0021978 k( 22) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0021978 k( 23) = ( 0.1594203 -0.0920413 0.1301661), wk = 0.0021978 k( 24) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0021978 k( 25) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0021978 k( 26) = ( 0.1811594 -0.1045924 0.1479160), wk = 0.0021978 k( 27) = ( 0.1884058 -0.1087761 0.1538327), wk = 0.0021978 k( 28) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0021978 k( 29) = ( 0.2028986 -0.1171435 0.1656660), wk = 0.0021978 k( 30) = ( 0.2101449 -0.1213272 0.1715826), wk = 0.0021978 k( 31) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0021978 k( 32) = ( 0.2246377 -0.1296946 0.1834159), wk = 0.0021978 k( 33) = ( 0.2318841 -0.1338783 0.1893325), wk = 0.0021978 k( 34) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0021978 k( 35) = ( 0.2463768 -0.1422457 0.2011658), wk = 0.0021978 k( 36) = ( 0.2536232 -0.1464294 0.2070825), wk = 0.0021978 k( 37) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0021978 k( 38) = ( 0.2681159 -0.1547968 0.2189157), wk = 0.0021978 k( 39) = ( 0.2753623 -0.1589805 0.2248324), wk = 0.0021978 k( 40) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0021978 k( 41) = ( 0.2898551 -0.1673479 0.2366657), wk = 0.0021978 k( 42) = ( 0.2971014 -0.1715316 0.2425823), wk = 0.0021978 k( 43) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0021978 k( 44) = ( 0.3115942 -0.1798990 0.2544156), wk = 0.0021978 k( 45) = ( 0.3188406 -0.1840827 0.2603322), wk = 0.0021978 k( 46) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0021978 k( 47) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0021978 k( 48) = ( 0.3405797 -0.1966338 0.2780822), wk = 0.0021978 k( 49) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0021978 k( 50) = ( 0.3550725 -0.2050012 0.2899154), wk = 0.0021978 k( 51) = ( 0.3623188 -0.2091849 0.2958321), wk = 0.0021978 k( 52) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0021978 k( 53) = ( 0.3768116 -0.2175523 0.3076654), wk = 0.0021978 k( 54) = ( 0.3840580 -0.2217360 0.3135820), wk = 0.0021978 k( 55) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0021978 k( 56) = ( 0.3985507 -0.2301034 0.3254153), wk = 0.0021978 k( 57) = ( 0.4057971 -0.2342871 0.3313319), wk = 0.0021978 k( 58) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0021978 k( 59) = ( 0.4202899 -0.2426545 0.3431652), wk = 0.0021978 k( 60) = ( 0.4275362 -0.2468382 0.3490819), wk = 0.0021978 k( 61) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0021978 k( 62) = ( 0.4420290 -0.2552056 0.3609152), wk = 0.0021978 k( 63) = ( 0.4492754 -0.2593893 0.3668318), wk = 0.0021978 k( 64) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0021978 k( 65) = ( 0.4637681 -0.2677566 0.3786651), wk = 0.0021978 k( 66) = ( 0.4710145 -0.2719403 0.3845817), wk = 0.0021978 k( 67) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0021978 k( 68) = ( 0.4855073 -0.2803077 0.3964150), wk = 0.0021978 k( 69) = ( 0.4927536 -0.2844914 0.4023316), wk = 0.0021978 k( 70) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 k( 71) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 k( 72) = ( 0.5000000 -0.2804273 0.4140804), wk = 0.0021978 k( 73) = ( 0.5000000 -0.2721794 0.4199125), wk = 0.0021978 k( 74) = ( 0.5000000 -0.2639316 0.4257446), wk = 0.0021978 k( 75) = ( 0.5000000 -0.2556837 0.4315768), wk = 0.0021978 k( 76) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0021978 k( 77) = ( 0.5000000 -0.2391880 0.4432410), wk = 0.0021978 k( 78) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0021978 k( 79) = ( 0.5000000 -0.2226922 0.4549052), wk = 0.0021978 k( 80) = ( 0.5000000 -0.2144444 0.4607374), wk = 0.0021978 k( 81) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0021978 k( 82) = ( 0.5000000 -0.1979487 0.4724016), wk = 0.0021978 k( 83) = ( 0.5000000 -0.1897008 0.4782337), wk = 0.0021978 k( 84) = ( 0.5000000 -0.1814529 0.4840658), wk = 0.0021978 k( 85) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0021978 k( 86) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0021978 k( 87) = ( 0.5000000 -0.1567094 0.5015622), wk = 0.0021978 k( 88) = ( 0.5000000 -0.1484615 0.5073943), wk = 0.0021978 k( 89) = ( 0.5000000 -0.1402136 0.5132264), wk = 0.0021978 k( 90) = ( 0.5000000 -0.1319658 0.5190585), wk = 0.0021978 k( 91) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0021978 k( 92) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0021978 k( 93) = ( 0.5000000 -0.1072222 0.5365549), wk = 0.0021978 k( 94) = ( 0.5000000 -0.0989743 0.5423870), wk = 0.0021978 k( 95) = ( 0.5000000 -0.0907265 0.5482191), wk = 0.0021978 k( 96) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0021978 k( 97) = ( 0.5000000 -0.0742307 0.5598834), wk = 0.0021978 k( 98) = ( 0.5000000 -0.0659829 0.5657155), wk = 0.0021978 k( 99) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0021978 k( 100) = ( 0.5000000 -0.0494872 0.5773797), wk = 0.0021978 k( 101) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0021978 k( 102) = ( 0.5000000 -0.0329914 0.5890440), wk = 0.0021978 k( 103) = ( 0.5000000 -0.0247436 0.5948761), wk = 0.0021978 k( 104) = ( 0.5000000 -0.0164957 0.6007082), wk = 0.0021978 k( 105) = ( 0.5000000 -0.0082479 0.6065403), wk = 0.0021978 k( 106) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021978 k( 107) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021978 k( 108) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021978 k( 109) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021978 k( 110) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021978 k( 111) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021978 k( 112) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021978 k( 113) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021978 k( 114) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021978 k( 115) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021978 k( 116) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021978 k( 117) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021978 k( 118) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021978 k( 119) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021978 k( 120) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021978 k( 121) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021978 k( 122) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021978 k( 123) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021978 k( 124) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021978 k( 125) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021978 k( 126) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021978 k( 127) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021978 k( 128) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021978 k( 129) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021978 k( 130) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021978 k( 131) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021978 k( 132) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 133) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 134) = ( 0.3698630 0.2135405 0.6039838), wk = 0.0021978 k( 135) = ( 0.3647260 0.2105747 0.5955951), wk = 0.0021978 k( 136) = ( 0.3595890 0.2076088 0.5872064), wk = 0.0021978 k( 137) = ( 0.3544521 0.2046430 0.5788178), wk = 0.0021978 k( 138) = ( 0.3493151 0.2016771 0.5704291), wk = 0.0021978 k( 139) = ( 0.3441781 0.1987113 0.5620405), wk = 0.0021978 k( 140) = ( 0.3390411 0.1957455 0.5536518), wk = 0.0021978 k( 141) = ( 0.3339041 0.1927796 0.5452631), wk = 0.0021978 k( 142) = ( 0.3287671 0.1898138 0.5368745), wk = 0.0021978 k( 143) = ( 0.3236301 0.1868479 0.5284858), wk = 0.0021978 k( 144) = ( 0.3184932 0.1838821 0.5200971), wk = 0.0021978 k( 145) = ( 0.3133562 0.1809163 0.5117085), wk = 0.0021978 k( 146) = ( 0.3082192 0.1779504 0.5033198), wk = 0.0021978 k( 147) = ( 0.3030822 0.1749846 0.4949311), wk = 0.0021978 k( 148) = ( 0.2979452 0.1720187 0.4865425), wk = 0.0021978 k( 149) = ( 0.2928082 0.1690529 0.4781538), wk = 0.0021978 k( 150) = ( 0.2876712 0.1660871 0.4697652), wk = 0.0021978 k( 151) = ( 0.2825342 0.1631212 0.4613765), wk = 0.0021978 k( 152) = ( 0.2773973 0.1601554 0.4529878), wk = 0.0021978 k( 153) = ( 0.2722603 0.1571895 0.4445992), wk = 0.0021978 k( 154) = ( 0.2671233 0.1542237 0.4362105), wk = 0.0021978 k( 155) = ( 0.2619863 0.1512579 0.4278218), wk = 0.0021978 k( 156) = ( 0.2568493 0.1482920 0.4194332), wk = 0.0021978 k( 157) = ( 0.2517123 0.1453262 0.4110445), wk = 0.0021978 k( 158) = ( 0.2465753 0.1423603 0.4026558), wk = 0.0021978 k( 159) = ( 0.2414384 0.1393945 0.3942672), wk = 0.0021978 k( 160) = ( 0.2363014 0.1364287 0.3858785), wk = 0.0021978 k( 161) = ( 0.2311644 0.1334628 0.3774899), wk = 0.0021978 k( 162) = ( 0.2260274 0.1304970 0.3691012), wk = 0.0021978 k( 163) = ( 0.2208904 0.1275311 0.3607125), wk = 0.0021978 k( 164) = ( 0.2157534 0.1245653 0.3523239), wk = 0.0021978 k( 165) = ( 0.2106164 0.1215995 0.3439352), wk = 0.0021978 k( 166) = ( 0.2054795 0.1186336 0.3355465), wk = 0.0021978 k( 167) = ( 0.2003425 0.1156678 0.3271579), wk = 0.0021978 k( 168) = ( 0.1952055 0.1127019 0.3187692), wk = 0.0021978 k( 169) = ( 0.1900685 0.1097361 0.3103806), wk = 0.0021978 k( 170) = ( 0.1849315 0.1067703 0.3019919), wk = 0.0021978 k( 171) = ( 0.1797945 0.1038044 0.2936032), wk = 0.0021978 k( 172) = ( 0.1746575 0.1008386 0.2852146), wk = 0.0021978 k( 173) = ( 0.1695205 0.0978727 0.2768259), wk = 0.0021978 k( 174) = ( 0.1643836 0.0949069 0.2684372), wk = 0.0021978 k( 175) = ( 0.1592466 0.0919411 0.2600486), wk = 0.0021978 k( 176) = ( 0.1541096 0.0889752 0.2516599), wk = 0.0021978 k( 177) = ( 0.1489726 0.0860094 0.2432712), wk = 0.0021978 k( 178) = ( 0.1438356 0.0830435 0.2348826), wk = 0.0021978 k( 179) = ( 0.1386986 0.0800777 0.2264939), wk = 0.0021978 k( 180) = ( 0.1335616 0.0771118 0.2181053), wk = 0.0021978 k( 181) = ( 0.1284247 0.0741460 0.2097166), wk = 0.0021978 k( 182) = ( 0.1232877 0.0711802 0.2013279), wk = 0.0021978 k( 183) = ( 0.1181507 0.0682143 0.1929393), wk = 0.0021978 k( 184) = ( 0.1130137 0.0652485 0.1845506), wk = 0.0021978 k( 185) = ( 0.1078767 0.0622826 0.1761619), wk = 0.0021978 k( 186) = ( 0.1027397 0.0593168 0.1677733), wk = 0.0021978 k( 187) = ( 0.0976027 0.0563510 0.1593846), wk = 0.0021978 k( 188) = ( 0.0924657 0.0533851 0.1509959), wk = 0.0021978 k( 189) = ( 0.0873288 0.0504193 0.1426073), wk = 0.0021978 k( 190) = ( 0.0821918 0.0474534 0.1342186), wk = 0.0021978 k( 191) = ( 0.0770548 0.0444876 0.1258300), wk = 0.0021978 k( 192) = ( 0.0719178 0.0415218 0.1174413), wk = 0.0021978 k( 193) = ( 0.0667808 0.0385559 0.1090526), wk = 0.0021978 k( 194) = ( 0.0616438 0.0355901 0.1006640), wk = 0.0021978 k( 195) = ( 0.0565068 0.0326242 0.0922753), wk = 0.0021978 k( 196) = ( 0.0513699 0.0296584 0.0838866), wk = 0.0021978 k( 197) = ( 0.0462329 0.0266926 0.0754980), wk = 0.0021978 k( 198) = ( 0.0410959 0.0237267 0.0671093), wk = 0.0021978 k( 199) = ( 0.0359589 0.0207609 0.0587207), wk = 0.0021978 k( 200) = ( 0.0308219 0.0177950 0.0503320), wk = 0.0021978 k( 201) = ( 0.0256849 0.0148292 0.0419433), wk = 0.0021978 k( 202) = ( 0.0205479 0.0118634 0.0335546), wk = 0.0021978 k( 203) = ( 0.0154110 0.0088975 0.0251660), wk = 0.0021978 k( 204) = ( 0.0102740 0.0059317 0.0167773), wk = 0.0021978 k( 205) = ( 0.0051370 0.0029658 0.0083887), wk = 0.0021978 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 208) = ( 0.0083333 0.0048113 0.0034021), wk = 0.0021978 k( 209) = ( 0.0166667 0.0096225 0.0068041), wk = 0.0021978 k( 210) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0021978 k( 211) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0021978 k( 212) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0021978 k( 213) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0021978 k( 214) = ( 0.0583333 0.0336788 0.0238145), wk = 0.0021978 k( 215) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0021978 k( 216) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0021978 k( 217) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0021978 k( 218) = ( 0.0916667 0.0529238 0.0374228), wk = 0.0021978 k( 219) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0021978 k( 220) = ( 0.1083333 0.0625463 0.0442269), wk = 0.0021978 k( 221) = ( 0.1166667 0.0673575 0.0476290), wk = 0.0021978 k( 222) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0021978 k( 223) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0021978 k( 224) = ( 0.1416667 0.0817913 0.0578352), wk = 0.0021978 k( 225) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0021978 k( 226) = ( 0.1583333 0.0914138 0.0646393), wk = 0.0021978 k( 227) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0021978 k( 228) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0021978 k( 229) = ( 0.1833333 0.1058475 0.0748455), wk = 0.0021978 k( 230) = ( 0.1916667 0.1106588 0.0782476), wk = 0.0021978 k( 231) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0021978 k( 232) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0021978 k( 233) = ( 0.2166667 0.1250926 0.0884538), wk = 0.0021978 k( 234) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0021978 k( 235) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0021978 k( 236) = ( 0.2416667 0.1395263 0.0986600), wk = 0.0021978 k( 237) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0021978 k( 238) = ( 0.2583333 0.1491488 0.1054641), wk = 0.0021978 k( 239) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0021978 k( 240) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0021978 k( 241) = ( 0.2833333 0.1635826 0.1156703), wk = 0.0021978 k( 242) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0021978 k( 243) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0021978 k( 244) = ( 0.3083333 0.1780163 0.1258766), wk = 0.0021978 k( 245) = ( 0.3166667 0.1828276 0.1292786), wk = 0.0021978 k( 246) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0021978 k( 247) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0021978 k( 248) = ( 0.3416667 0.1972613 0.1394848), wk = 0.0021978 k( 249) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0021978 k( 250) = ( 0.3583333 0.2068838 0.1462890), wk = 0.0021978 k( 251) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0021978 k( 252) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0021978 k( 253) = ( 0.3833333 0.2213176 0.1564952), wk = 0.0021978 k( 254) = ( 0.3916667 0.2261289 0.1598972), wk = 0.0021978 k( 255) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0021978 k( 256) = ( 0.4083333 0.2357514 0.1667014), wk = 0.0021978 k( 257) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0021978 k( 258) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0021978 k( 259) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0021978 k( 260) = ( 0.4416667 0.2549964 0.1803097), wk = 0.0021978 k( 261) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0021978 k( 262) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0021978 k( 263) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0021978 k( 264) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0021978 k( 265) = ( 0.4833333 0.2790526 0.1973200), wk = 0.0021978 k( 266) = ( 0.4916667 0.2838639 0.2007221), wk = 0.0021978 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 269) = ( 0.5029762 0.2800836 0.2089842), wk = 0.0021978 k( 270) = ( 0.5059524 0.2714921 0.2138443), wk = 0.0021978 k( 271) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0021978 k( 272) = ( 0.5119048 0.2543091 0.2235645), wk = 0.0021978 k( 273) = ( 0.5148810 0.2457175 0.2284246), wk = 0.0021978 k( 274) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0021978 k( 275) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0021978 k( 276) = ( 0.5238095 0.2199430 0.2430049), wk = 0.0021978 k( 277) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0021978 k( 278) = ( 0.5297619 0.2027599 0.2527251), wk = 0.0021978 k( 279) = ( 0.5327381 0.1941684 0.2575852), wk = 0.0021978 k( 280) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0021978 k( 281) = ( 0.5386905 0.1769854 0.2673054), wk = 0.0021978 k( 282) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0021978 k( 283) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0021978 k( 284) = ( 0.5476190 0.1512108 0.2818857), wk = 0.0021978 k( 285) = ( 0.5505952 0.1426193 0.2867458), wk = 0.0021978 k( 286) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0021978 k( 287) = ( 0.5565476 0.1254362 0.2964660), wk = 0.0021978 k( 288) = ( 0.5595238 0.1168447 0.3013261), wk = 0.0021978 k( 289) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021978 k( 290) = ( 0.5654762 0.0996617 0.3110463), wk = 0.0021978 k( 291) = ( 0.5684524 0.0910701 0.3159064), wk = 0.0021978 k( 292) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0021978 k( 293) = ( 0.5744048 0.0738871 0.3256266), wk = 0.0021978 k( 294) = ( 0.5773810 0.0652956 0.3304867), wk = 0.0021978 k( 295) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0021978 k( 296) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0021978 k( 297) = ( 0.5863095 0.0395210 0.3450670), wk = 0.0021978 k( 298) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0021978 k( 299) = ( 0.5922619 0.0223380 0.3547872), wk = 0.0021978 k( 300) = ( 0.5952381 0.0137464 0.3596473), wk = 0.0021978 k( 301) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0021978 k( 302) = ( 0.6011905 -0.0034366 0.3693675), wk = 0.0021978 k( 303) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0021978 k( 304) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0021978 k( 305) = ( 0.6101190 -0.0292112 0.3839478), wk = 0.0021978 k( 306) = ( 0.6130952 -0.0378027 0.3888079), wk = 0.0021978 k( 307) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0021978 k( 308) = ( 0.6190476 -0.0549857 0.3985281), wk = 0.0021978 k( 309) = ( 0.6220238 -0.0635773 0.4033882), wk = 0.0021978 k( 310) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 311) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 312) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021978 k( 313) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021978 k( 314) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021978 k( 315) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021978 k( 316) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021978 k( 317) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021978 k( 318) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021978 k( 319) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021978 k( 320) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021978 k( 321) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021978 k( 322) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021978 k( 323) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021978 k( 324) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021978 k( 325) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021978 k( 326) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021978 k( 327) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021978 k( 328) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021978 k( 329) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021978 k( 330) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021978 k( 331) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021978 k( 332) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021978 k( 333) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021978 k( 334) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021978 k( 335) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021978 k( 336) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021978 k( 337) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021978 k( 338) = ( 0.5000000 0.0058913 0.6040408), wk = 0.0021978 k( 339) = ( 0.5000000 0.0117827 0.5957092), wk = 0.0021978 k( 340) = ( 0.5000000 0.0176740 0.5873776), wk = 0.0021978 k( 341) = ( 0.5000000 0.0235653 0.5790460), wk = 0.0021978 k( 342) = ( 0.5000000 0.0294566 0.5707145), wk = 0.0021978 k( 343) = ( 0.5000000 0.0353480 0.5623829), wk = 0.0021978 k( 344) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0021978 k( 345) = ( 0.5000000 0.0471306 0.5457196), wk = 0.0021978 k( 346) = ( 0.5000000 0.0530220 0.5373881), wk = 0.0021978 k( 347) = ( 0.5000000 0.0589133 0.5290565), wk = 0.0021978 k( 348) = ( 0.5000000 0.0648046 0.5207249), wk = 0.0021978 k( 349) = ( 0.5000000 0.0706960 0.5123933), wk = 0.0021978 k( 350) = ( 0.5000000 0.0765873 0.5040617), wk = 0.0021978 k( 351) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0021978 k( 352) = ( 0.5000000 0.0883699 0.4873985), wk = 0.0021978 k( 353) = ( 0.5000000 0.0942613 0.4790669), wk = 0.0021978 k( 354) = ( 0.5000000 0.1001526 0.4707353), wk = 0.0021978 k( 355) = ( 0.5000000 0.1060439 0.4624037), wk = 0.0021978 k( 356) = ( 0.5000000 0.1119353 0.4540721), wk = 0.0021978 k( 357) = ( 0.5000000 0.1178266 0.4457405), wk = 0.0021978 k( 358) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0021978 k( 359) = ( 0.5000000 0.1296092 0.4290773), wk = 0.0021978 k( 360) = ( 0.5000000 0.1355006 0.4207457), wk = 0.0021978 k( 361) = ( 0.5000000 0.1413919 0.4124141), wk = 0.0021978 k( 362) = ( 0.5000000 0.1472832 0.4040825), wk = 0.0021978 k( 363) = ( 0.5000000 0.1531746 0.3957509), wk = 0.0021978 k( 364) = ( 0.5000000 0.1590659 0.3874193), wk = 0.0021978 k( 365) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0021978 k( 366) = ( 0.5000000 0.1708485 0.3707561), wk = 0.0021978 k( 367) = ( 0.5000000 0.1767399 0.3624245), wk = 0.0021978 k( 368) = ( 0.5000000 0.1826312 0.3540929), wk = 0.0021978 k( 369) = ( 0.5000000 0.1885225 0.3457613), wk = 0.0021978 k( 370) = ( 0.5000000 0.1944139 0.3374297), wk = 0.0021978 k( 371) = ( 0.5000000 0.2003052 0.3290981), wk = 0.0021978 k( 372) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0021978 k( 373) = ( 0.5000000 0.2120879 0.3124349), wk = 0.0021978 k( 374) = ( 0.5000000 0.2179792 0.3041033), wk = 0.0021978 k( 375) = ( 0.5000000 0.2238705 0.2957717), wk = 0.0021978 k( 376) = ( 0.5000000 0.2297618 0.2874401), wk = 0.0021978 k( 377) = ( 0.5000000 0.2356532 0.2791085), wk = 0.0021978 k( 378) = ( 0.5000000 0.2415445 0.2707769), wk = 0.0021978 k( 379) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0021978 k( 380) = ( 0.5000000 0.2533272 0.2541137), wk = 0.0021978 k( 381) = ( 0.5000000 0.2592185 0.2457821), wk = 0.0021978 k( 382) = ( 0.5000000 0.2651098 0.2374505), wk = 0.0021978 k( 383) = ( 0.5000000 0.2710011 0.2291189), wk = 0.0021978 k( 384) = ( 0.5000000 0.2768925 0.2207873), wk = 0.0021978 k( 385) = ( 0.5000000 0.2827838 0.2124557), wk = 0.0021978 k( 386) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 387) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021978 k( 388) = ( 0.4970238 0.2869568 0.2138443), wk = 0.0021978 k( 389) = ( 0.4940476 0.2852385 0.2235645), wk = 0.0021978 k( 390) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0021978 k( 391) = ( 0.4880952 0.2818019 0.2430049), wk = 0.0021978 k( 392) = ( 0.4851190 0.2800836 0.2527251), wk = 0.0021978 k( 393) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0021978 k( 394) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0021978 k( 395) = ( 0.4761905 0.2749287 0.2818857), wk = 0.0021978 k( 396) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0021978 k( 397) = ( 0.4702381 0.2714921 0.3013261), wk = 0.0021978 k( 398) = ( 0.4672619 0.2697738 0.3110463), wk = 0.0021978 k( 399) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0021978 k( 400) = ( 0.4613095 0.2663372 0.3304867), wk = 0.0021978 k( 401) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0021978 k( 402) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0021978 k( 403) = ( 0.4523810 0.2611823 0.3596473), wk = 0.0021978 k( 404) = ( 0.4494048 0.2594640 0.3693675), wk = 0.0021978 k( 405) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0021978 k( 406) = ( 0.4434524 0.2560274 0.3888079), wk = 0.0021978 k( 407) = ( 0.4404762 0.2543090 0.3985281), wk = 0.0021978 k( 408) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021978 k( 409) = ( 0.4345238 0.2508724 0.4179685), wk = 0.0021978 k( 410) = ( 0.4315476 0.2491541 0.4276887), wk = 0.0021978 k( 411) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0021978 k( 412) = ( 0.4255952 0.2457175 0.4471291), wk = 0.0021978 k( 413) = ( 0.4226190 0.2439992 0.4568493), wk = 0.0021978 k( 414) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0021978 k( 415) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0021978 k( 416) = ( 0.4136905 0.2388443 0.4860099), wk = 0.0021978 k( 417) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0021978 k( 418) = ( 0.4077381 0.2354077 0.5054503), wk = 0.0021978 k( 419) = ( 0.4047619 0.2336894 0.5151705), wk = 0.0021978 k( 420) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0021978 k( 421) = ( 0.3988095 0.2302528 0.5346109), wk = 0.0021978 k( 422) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0021978 k( 423) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0021978 k( 424) = ( 0.3898810 0.2250979 0.5637715), wk = 0.0021978 k( 425) = ( 0.3869048 0.2233796 0.5734917), wk = 0.0021978 k( 426) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0021978 k( 427) = ( 0.3809524 0.2199430 0.5929320), wk = 0.0021978 k( 428) = ( 0.3779762 0.2182247 0.6026522), wk = 0.0021978 k( 429) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021978 k( 430) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021978 k( 431) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021978 k( 432) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021978 k( 433) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021978 k( 434) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021978 k( 435) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021978 k( 436) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021978 k( 437) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021978 k( 438) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021978 k( 439) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021978 k( 440) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021978 k( 441) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021978 k( 442) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021978 k( 443) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021978 k( 444) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021978 k( 445) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021978 k( 446) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021978 k( 447) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021978 k( 448) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021978 k( 449) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021978 k( 450) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021978 k( 451) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021978 k( 452) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021978 k( 453) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021978 k( 454) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021978 k( 455) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021978 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 2) = ( 0.0072464 -0.0000000 0.0072464), wk = 0.0021978 k( 3) = ( 0.0144928 -0.0000000 0.0144928), wk = 0.0021978 k( 4) = ( 0.0217391 0.0000000 0.0217391), wk = 0.0021978 k( 5) = ( 0.0289855 -0.0000000 0.0289855), wk = 0.0021978 k( 6) = ( 0.0362319 -0.0000000 0.0362319), wk = 0.0021978 k( 7) = ( 0.0434783 0.0000000 0.0434783), wk = 0.0021978 k( 8) = ( 0.0507246 0.0000000 0.0507246), wk = 0.0021978 k( 9) = ( 0.0579710 -0.0000000 0.0579710), wk = 0.0021978 k( 10) = ( 0.0652174 -0.0000000 0.0652174), wk = 0.0021978 k( 11) = ( 0.0724638 -0.0000000 0.0724638), wk = 0.0021978 k( 12) = ( 0.0797101 0.0000000 0.0797101), wk = 0.0021978 k( 13) = ( 0.0869565 0.0000000 0.0869565), wk = 0.0021978 k( 14) = ( 0.0942029 0.0000000 0.0942029), wk = 0.0021978 k( 15) = ( 0.1014493 0.0000000 0.1014493), wk = 0.0021978 k( 16) = ( 0.1086957 -0.0000000 0.1086956), wk = 0.0021978 k( 17) = ( 0.1159420 -0.0000000 0.1159420), wk = 0.0021978 k( 18) = ( 0.1231884 -0.0000000 0.1231884), wk = 0.0021978 k( 19) = ( 0.1304348 -0.0000000 0.1304348), wk = 0.0021978 k( 20) = ( 0.1376812 -0.0000000 0.1376812), wk = 0.0021978 k( 21) = ( 0.1449275 -0.0000000 0.1449275), wk = 0.0021978 k( 22) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0021978 k( 23) = ( 0.1594203 0.0000000 0.1594203), wk = 0.0021978 k( 24) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0021978 k( 25) = ( 0.1739130 0.0000000 0.1739130), wk = 0.0021978 k( 26) = ( 0.1811594 -0.0000000 0.1811594), wk = 0.0021978 k( 27) = ( 0.1884058 0.0000000 0.1884058), wk = 0.0021978 k( 28) = ( 0.1956522 -0.0000000 0.1956522), wk = 0.0021978 k( 29) = ( 0.2028986 0.0000000 0.2028986), wk = 0.0021978 k( 30) = ( 0.2101449 -0.0000000 0.2101449), wk = 0.0021978 k( 31) = ( 0.2173913 -0.0000000 0.2173913), wk = 0.0021978 k( 32) = ( 0.2246377 0.0000000 0.2246377), wk = 0.0021978 k( 33) = ( 0.2318841 -0.0000000 0.2318841), wk = 0.0021978 k( 34) = ( 0.2391304 0.0000000 0.2391304), wk = 0.0021978 k( 35) = ( 0.2463768 -0.0000000 0.2463768), wk = 0.0021978 k( 36) = ( 0.2536232 -0.0000000 0.2536232), wk = 0.0021978 k( 37) = ( 0.2608696 -0.0000000 0.2608696), wk = 0.0021978 k( 38) = ( 0.2681159 -0.0000000 0.2681159), wk = 0.0021978 k( 39) = ( 0.2753623 -0.0000000 0.2753623), wk = 0.0021978 k( 40) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0021978 k( 41) = ( 0.2898551 -0.0000000 0.2898551), wk = 0.0021978 k( 42) = ( 0.2971014 0.0000000 0.2971014), wk = 0.0021978 k( 43) = ( 0.3043478 -0.0000000 0.3043478), wk = 0.0021978 k( 44) = ( 0.3115942 0.0000000 0.3115942), wk = 0.0021978 k( 45) = ( 0.3188406 0.0000000 0.3188406), wk = 0.0021978 k( 46) = ( 0.3260870 -0.0000000 0.3260870), wk = 0.0021978 k( 47) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0021978 k( 48) = ( 0.3405797 -0.0000000 0.3405797), wk = 0.0021978 k( 49) = ( 0.3478261 -0.0000000 0.3478261), wk = 0.0021978 k( 50) = ( 0.3550725 -0.0000000 0.3550725), wk = 0.0021978 k( 51) = ( 0.3623188 -0.0000000 0.3623188), wk = 0.0021978 k( 52) = ( 0.3695652 -0.0000000 0.3695652), wk = 0.0021978 k( 53) = ( 0.3768116 -0.0000000 0.3768116), wk = 0.0021978 k( 54) = ( 0.3840580 -0.0000000 0.3840580), wk = 0.0021978 k( 55) = ( 0.3913044 0.0000000 0.3913043), wk = 0.0021978 k( 56) = ( 0.3985507 -0.0000000 0.3985507), wk = 0.0021978 k( 57) = ( 0.4057971 0.0000000 0.4057971), wk = 0.0021978 k( 58) = ( 0.4130435 0.0000000 0.4130435), wk = 0.0021978 k( 59) = ( 0.4202899 -0.0000000 0.4202899), wk = 0.0021978 k( 60) = ( 0.4275362 -0.0000000 0.4275362), wk = 0.0021978 k( 61) = ( 0.4347826 -0.0000000 0.4347826), wk = 0.0021978 k( 62) = ( 0.4420290 -0.0000000 0.4420290), wk = 0.0021978 k( 63) = ( 0.4492754 0.0000000 0.4492754), wk = 0.0021978 k( 64) = ( 0.4565217 -0.0000000 0.4565217), wk = 0.0021978 k( 65) = ( 0.4637681 -0.0000000 0.4637681), wk = 0.0021978 k( 66) = ( 0.4710145 -0.0000000 0.4710145), wk = 0.0021978 k( 67) = ( 0.4782609 -0.0000000 0.4782609), wk = 0.0021978 k( 68) = ( 0.4855073 0.0000000 0.4855073), wk = 0.0021978 k( 69) = ( 0.4927536 -0.0000000 0.4927536), wk = 0.0021978 k( 70) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021978 k( 71) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021978 k( 72) = ( 0.5000000 0.0071429 0.5071429), wk = 0.0021978 k( 73) = ( 0.5000000 0.0142857 0.5142857), wk = 0.0021978 k( 74) = ( 0.5000000 0.0214286 0.5214286), wk = 0.0021978 k( 75) = ( 0.5000000 0.0285714 0.5285714), wk = 0.0021978 k( 76) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0021978 k( 77) = ( 0.5000000 0.0428571 0.5428571), wk = 0.0021978 k( 78) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0021978 k( 79) = ( 0.5000000 0.0571429 0.5571429), wk = 0.0021978 k( 80) = ( 0.5000000 0.0642857 0.5642857), wk = 0.0021978 k( 81) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0021978 k( 82) = ( 0.5000000 0.0785714 0.5785714), wk = 0.0021978 k( 83) = ( 0.5000000 0.0857143 0.5857143), wk = 0.0021978 k( 84) = ( 0.5000000 0.0928571 0.5928571), wk = 0.0021978 k( 85) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0021978 k( 86) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0021978 k( 87) = ( 0.5000000 0.1142857 0.6142857), wk = 0.0021978 k( 88) = ( 0.5000000 0.1214286 0.6214286), wk = 0.0021978 k( 89) = ( 0.5000000 0.1285714 0.6285714), wk = 0.0021978 k( 90) = ( 0.5000000 0.1357143 0.6357143), wk = 0.0021978 k( 91) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0021978 k( 92) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0021978 k( 93) = ( 0.5000000 0.1571429 0.6571429), wk = 0.0021978 k( 94) = ( 0.5000000 0.1642857 0.6642857), wk = 0.0021978 k( 95) = ( 0.5000000 0.1714286 0.6714286), wk = 0.0021978 k( 96) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0021978 k( 97) = ( 0.5000000 0.1857143 0.6857143), wk = 0.0021978 k( 98) = ( 0.5000000 0.1928571 0.6928571), wk = 0.0021978 k( 99) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0021978 k( 100) = ( 0.5000000 0.2071429 0.7071429), wk = 0.0021978 k( 101) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0021978 k( 102) = ( 0.5000000 0.2214286 0.7214286), wk = 0.0021978 k( 103) = ( 0.5000000 0.2285714 0.7285714), wk = 0.0021978 k( 104) = ( 0.5000000 0.2357143 0.7357143), wk = 0.0021978 k( 105) = ( 0.5000000 0.2428571 0.7428571), wk = 0.0021978 k( 106) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 107) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 108) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021978 k( 109) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021978 k( 110) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021978 k( 111) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021978 k( 112) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021978 k( 113) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021978 k( 114) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021978 k( 115) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021978 k( 116) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021978 k( 117) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021978 k( 118) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021978 k( 119) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021978 k( 120) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021978 k( 121) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021978 k( 122) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021978 k( 123) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021978 k( 124) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021978 k( 125) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021978 k( 126) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021978 k( 127) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021978 k( 128) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021978 k( 129) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021978 k( 130) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021978 k( 131) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021978 k( 132) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 133) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 134) = ( 0.3698630 0.3698630 0.7397260), wk = 0.0021978 k( 135) = ( 0.3647260 0.3647260 0.7294521), wk = 0.0021978 k( 136) = ( 0.3595890 0.3595890 0.7191781), wk = 0.0021978 k( 137) = ( 0.3544521 0.3544521 0.7089041), wk = 0.0021978 k( 138) = ( 0.3493151 0.3493151 0.6986301), wk = 0.0021978 k( 139) = ( 0.3441781 0.3441781 0.6883562), wk = 0.0021978 k( 140) = ( 0.3390411 0.3390411 0.6780822), wk = 0.0021978 k( 141) = ( 0.3339041 0.3339041 0.6678082), wk = 0.0021978 k( 142) = ( 0.3287671 0.3287671 0.6575342), wk = 0.0021978 k( 143) = ( 0.3236301 0.3236301 0.6472603), wk = 0.0021978 k( 144) = ( 0.3184932 0.3184931 0.6369863), wk = 0.0021978 k( 145) = ( 0.3133562 0.3133562 0.6267123), wk = 0.0021978 k( 146) = ( 0.3082192 0.3082192 0.6164384), wk = 0.0021978 k( 147) = ( 0.3030822 0.3030822 0.6061644), wk = 0.0021978 k( 148) = ( 0.2979452 0.2979452 0.5958904), wk = 0.0021978 k( 149) = ( 0.2928082 0.2928082 0.5856164), wk = 0.0021978 k( 150) = ( 0.2876712 0.2876712 0.5753425), wk = 0.0021978 k( 151) = ( 0.2825342 0.2825342 0.5650685), wk = 0.0021978 k( 152) = ( 0.2773973 0.2773973 0.5547945), wk = 0.0021978 k( 153) = ( 0.2722603 0.2722603 0.5445205), wk = 0.0021978 k( 154) = ( 0.2671233 0.2671233 0.5342466), wk = 0.0021978 k( 155) = ( 0.2619863 0.2619863 0.5239726), wk = 0.0021978 k( 156) = ( 0.2568493 0.2568493 0.5136986), wk = 0.0021978 k( 157) = ( 0.2517123 0.2517123 0.5034247), wk = 0.0021978 k( 158) = ( 0.2465753 0.2465753 0.4931507), wk = 0.0021978 k( 159) = ( 0.2414384 0.2414384 0.4828767), wk = 0.0021978 k( 160) = ( 0.2363014 0.2363014 0.4726027), wk = 0.0021978 k( 161) = ( 0.2311644 0.2311644 0.4623288), wk = 0.0021978 k( 162) = ( 0.2260274 0.2260274 0.4520548), wk = 0.0021978 k( 163) = ( 0.2208904 0.2208904 0.4417808), wk = 0.0021978 k( 164) = ( 0.2157534 0.2157534 0.4315068), wk = 0.0021978 k( 165) = ( 0.2106164 0.2106164 0.4212329), wk = 0.0021978 k( 166) = ( 0.2054795 0.2054795 0.4109589), wk = 0.0021978 k( 167) = ( 0.2003425 0.2003425 0.4006849), wk = 0.0021978 k( 168) = ( 0.1952055 0.1952055 0.3904110), wk = 0.0021978 k( 169) = ( 0.1900685 0.1900685 0.3801370), wk = 0.0021978 k( 170) = ( 0.1849315 0.1849315 0.3698630), wk = 0.0021978 k( 171) = ( 0.1797945 0.1797945 0.3595890), wk = 0.0021978 k( 172) = ( 0.1746575 0.1746575 0.3493151), wk = 0.0021978 k( 173) = ( 0.1695205 0.1695205 0.3390411), wk = 0.0021978 k( 174) = ( 0.1643836 0.1643836 0.3287671), wk = 0.0021978 k( 175) = ( 0.1592466 0.1592466 0.3184932), wk = 0.0021978 k( 176) = ( 0.1541096 0.1541096 0.3082192), wk = 0.0021978 k( 177) = ( 0.1489726 0.1489726 0.2979452), wk = 0.0021978 k( 178) = ( 0.1438356 0.1438356 0.2876712), wk = 0.0021978 k( 179) = ( 0.1386986 0.1386986 0.2773973), wk = 0.0021978 k( 180) = ( 0.1335616 0.1335616 0.2671233), wk = 0.0021978 k( 181) = ( 0.1284247 0.1284247 0.2568493), wk = 0.0021978 k( 182) = ( 0.1232877 0.1232877 0.2465753), wk = 0.0021978 k( 183) = ( 0.1181507 0.1181507 0.2363014), wk = 0.0021978 k( 184) = ( 0.1130137 0.1130137 0.2260274), wk = 0.0021978 k( 185) = ( 0.1078767 0.1078767 0.2157534), wk = 0.0021978 k( 186) = ( 0.1027397 0.1027397 0.2054794), wk = 0.0021978 k( 187) = ( 0.0976027 0.0976027 0.1952055), wk = 0.0021978 k( 188) = ( 0.0924657 0.0924657 0.1849315), wk = 0.0021978 k( 189) = ( 0.0873288 0.0873288 0.1746575), wk = 0.0021978 k( 190) = ( 0.0821918 0.0821918 0.1643836), wk = 0.0021978 k( 191) = ( 0.0770548 0.0770548 0.1541096), wk = 0.0021978 k( 192) = ( 0.0719178 0.0719178 0.1438356), wk = 0.0021978 k( 193) = ( 0.0667808 0.0667808 0.1335616), wk = 0.0021978 k( 194) = ( 0.0616438 0.0616438 0.1232877), wk = 0.0021978 k( 195) = ( 0.0565068 0.0565068 0.1130137), wk = 0.0021978 k( 196) = ( 0.0513699 0.0513699 0.1027397), wk = 0.0021978 k( 197) = ( 0.0462329 0.0462329 0.0924657), wk = 0.0021978 k( 198) = ( 0.0410959 0.0410959 0.0821918), wk = 0.0021978 k( 199) = ( 0.0359589 0.0359589 0.0719178), wk = 0.0021978 k( 200) = ( 0.0308219 0.0308219 0.0616438), wk = 0.0021978 k( 201) = ( 0.0256849 0.0256849 0.0513699), wk = 0.0021978 k( 202) = ( 0.0205479 0.0205479 0.0410959), wk = 0.0021978 k( 203) = ( 0.0154110 0.0154110 0.0308219), wk = 0.0021978 k( 204) = ( 0.0102740 0.0102740 0.0205479), wk = 0.0021978 k( 205) = ( 0.0051370 0.0051370 0.0102740), wk = 0.0021978 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021978 k( 208) = ( 0.0083333 0.0083333 0.0083333), wk = 0.0021978 k( 209) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0021978 k( 210) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0021978 k( 211) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0021978 k( 212) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0021978 k( 213) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0021978 k( 214) = ( 0.0583333 0.0583333 0.0583333), wk = 0.0021978 k( 215) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0021978 k( 216) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0021978 k( 217) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0021978 k( 218) = ( 0.0916667 0.0916667 0.0916667), wk = 0.0021978 k( 219) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0021978 k( 220) = ( 0.1083333 0.1083333 0.1083333), wk = 0.0021978 k( 221) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0021978 k( 222) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0021978 k( 223) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0021978 k( 224) = ( 0.1416667 0.1416667 0.1416667), wk = 0.0021978 k( 225) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0021978 k( 226) = ( 0.1583333 0.1583333 0.1583333), wk = 0.0021978 k( 227) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0021978 k( 228) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0021978 k( 229) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0021978 k( 230) = ( 0.1916667 0.1916667 0.1916667), wk = 0.0021978 k( 231) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0021978 k( 232) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0021978 k( 233) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0021978 k( 234) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0021978 k( 235) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0021978 k( 236) = ( 0.2416667 0.2416667 0.2416667), wk = 0.0021978 k( 237) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021978 k( 238) = ( 0.2583333 0.2583333 0.2583333), wk = 0.0021978 k( 239) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0021978 k( 240) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0021978 k( 241) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0021978 k( 242) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0021978 k( 243) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0021978 k( 244) = ( 0.3083333 0.3083333 0.3083333), wk = 0.0021978 k( 245) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0021978 k( 246) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0021978 k( 247) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021978 k( 248) = ( 0.3416667 0.3416667 0.3416667), wk = 0.0021978 k( 249) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0021978 k( 250) = ( 0.3583333 0.3583333 0.3583333), wk = 0.0021978 k( 251) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0021978 k( 252) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0021978 k( 253) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0021978 k( 254) = ( 0.3916667 0.3916667 0.3916667), wk = 0.0021978 k( 255) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0021978 k( 256) = ( 0.4083333 0.4083333 0.4083333), wk = 0.0021978 k( 257) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0021978 k( 258) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0021978 k( 259) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0021978 k( 260) = ( 0.4416667 0.4416667 0.4416667), wk = 0.0021978 k( 261) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0021978 k( 262) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0021978 k( 263) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0021978 k( 264) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0021978 k( 265) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0021978 k( 266) = ( 0.4916667 0.4916667 0.4916667), wk = 0.0021978 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 269) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0021978 k( 270) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0021978 k( 271) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0021978 k( 272) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0021978 k( 273) = ( 0.5148810 0.4702381 0.5148809), wk = 0.0021978 k( 274) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0021978 k( 275) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0021978 k( 276) = ( 0.5238095 0.4523810 0.5238095), wk = 0.0021978 k( 277) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0021978 k( 278) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0021978 k( 279) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0021978 k( 280) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0021978 k( 281) = ( 0.5386905 0.4226190 0.5386905), wk = 0.0021978 k( 282) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0021978 k( 283) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0021978 k( 284) = ( 0.5476190 0.4047619 0.5476190), wk = 0.0021978 k( 285) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0021978 k( 286) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0021978 k( 287) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0021978 k( 288) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0021978 k( 289) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021978 k( 290) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0021978 k( 291) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0021978 k( 292) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0021978 k( 293) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0021978 k( 294) = ( 0.5773810 0.3452381 0.5773810), wk = 0.0021978 k( 295) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0021978 k( 296) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0021978 k( 297) = ( 0.5863095 0.3273809 0.5863095), wk = 0.0021978 k( 298) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0021978 k( 299) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0021978 k( 300) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0021978 k( 301) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0021978 k( 302) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0021978 k( 303) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0021978 k( 304) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0021978 k( 305) = ( 0.6101190 0.2797619 0.6101190), wk = 0.0021978 k( 306) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0021978 k( 307) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0021978 k( 308) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0021978 k( 309) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0021978 k( 310) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 311) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 312) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021978 k( 313) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021978 k( 314) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021978 k( 315) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021978 k( 316) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021978 k( 317) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021978 k( 318) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021978 k( 319) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021978 k( 320) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021978 k( 321) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021978 k( 322) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021978 k( 323) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021978 k( 324) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021978 k( 325) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021978 k( 326) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021978 k( 327) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021978 k( 328) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021978 k( 329) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021978 k( 330) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021978 k( 331) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021978 k( 332) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021978 k( 333) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021978 k( 334) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021978 k( 335) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021978 k( 336) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 337) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021978 k( 338) = ( 0.5000000 0.2551020 0.7448980), wk = 0.0021978 k( 339) = ( 0.5000000 0.2602041 0.7397959), wk = 0.0021978 k( 340) = ( 0.5000000 0.2653061 0.7346939), wk = 0.0021978 k( 341) = ( 0.5000000 0.2704082 0.7295918), wk = 0.0021978 k( 342) = ( 0.5000000 0.2755102 0.7244898), wk = 0.0021978 k( 343) = ( 0.5000000 0.2806122 0.7193878), wk = 0.0021978 k( 344) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0021978 k( 345) = ( 0.5000000 0.2908163 0.7091837), wk = 0.0021978 k( 346) = ( 0.5000000 0.2959184 0.7040816), wk = 0.0021978 k( 347) = ( 0.5000000 0.3010204 0.6989796), wk = 0.0021978 k( 348) = ( 0.5000000 0.3061224 0.6938775), wk = 0.0021978 k( 349) = ( 0.5000000 0.3112245 0.6887755), wk = 0.0021978 k( 350) = ( 0.5000000 0.3163265 0.6836735), wk = 0.0021978 k( 351) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0021978 k( 352) = ( 0.5000000 0.3265306 0.6734694), wk = 0.0021978 k( 353) = ( 0.5000000 0.3316326 0.6683673), wk = 0.0021978 k( 354) = ( 0.5000000 0.3367347 0.6632653), wk = 0.0021978 k( 355) = ( 0.5000000 0.3418367 0.6581633), wk = 0.0021978 k( 356) = ( 0.5000000 0.3469388 0.6530612), wk = 0.0021978 k( 357) = ( 0.5000000 0.3520408 0.6479592), wk = 0.0021978 k( 358) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0021978 k( 359) = ( 0.5000000 0.3622449 0.6377551), wk = 0.0021978 k( 360) = ( 0.5000000 0.3673469 0.6326531), wk = 0.0021978 k( 361) = ( 0.5000000 0.3724490 0.6275510), wk = 0.0021978 k( 362) = ( 0.5000000 0.3775510 0.6224490), wk = 0.0021978 k( 363) = ( 0.5000000 0.3826531 0.6173469), wk = 0.0021978 k( 364) = ( 0.5000000 0.3877551 0.6122449), wk = 0.0021978 k( 365) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0021978 k( 366) = ( 0.5000000 0.3979592 0.6020408), wk = 0.0021978 k( 367) = ( 0.5000000 0.4030612 0.5969388), wk = 0.0021978 k( 368) = ( 0.5000000 0.4081633 0.5918367), wk = 0.0021978 k( 369) = ( 0.5000000 0.4132653 0.5867347), wk = 0.0021978 k( 370) = ( 0.5000000 0.4183673 0.5816326), wk = 0.0021978 k( 371) = ( 0.5000000 0.4234694 0.5765306), wk = 0.0021978 k( 372) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0021978 k( 373) = ( 0.5000000 0.4336735 0.5663265), wk = 0.0021978 k( 374) = ( 0.5000000 0.4387755 0.5612245), wk = 0.0021978 k( 375) = ( 0.5000000 0.4438776 0.5561225), wk = 0.0021978 k( 376) = ( 0.5000000 0.4489796 0.5510204), wk = 0.0021978 k( 377) = ( 0.5000000 0.4540816 0.5459184), wk = 0.0021978 k( 378) = ( 0.5000000 0.4591837 0.5408163), wk = 0.0021978 k( 379) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0021978 k( 380) = ( 0.5000000 0.4693878 0.5306122), wk = 0.0021978 k( 381) = ( 0.5000000 0.4744898 0.5255102), wk = 0.0021978 k( 382) = ( 0.5000000 0.4795918 0.5204082), wk = 0.0021978 k( 383) = ( 0.5000000 0.4846939 0.5153061), wk = 0.0021978 k( 384) = ( 0.5000000 0.4897959 0.5102041), wk = 0.0021978 k( 385) = ( 0.5000000 0.4948980 0.5051020), wk = 0.0021978 k( 386) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021978 k( 388) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0021978 k( 389) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0021978 k( 390) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0021978 k( 391) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0021978 k( 392) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0021978 k( 393) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0021978 k( 394) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0021978 k( 395) = ( 0.4761905 0.4761905 0.5476190), wk = 0.0021978 k( 396) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0021978 k( 397) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0021978 k( 398) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0021978 k( 399) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0021978 k( 400) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0021978 k( 401) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0021978 k( 402) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0021978 k( 403) = ( 0.4523810 0.4523810 0.5952381), wk = 0.0021978 k( 404) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0021978 k( 405) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0021978 k( 406) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0021978 k( 407) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0021978 k( 408) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021978 k( 409) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0021978 k( 410) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0021978 k( 411) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0021978 k( 412) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0021978 k( 413) = ( 0.4226190 0.4226190 0.6547619), wk = 0.0021978 k( 414) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0021978 k( 415) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0021978 k( 416) = ( 0.4136905 0.4136905 0.6726190), wk = 0.0021978 k( 417) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0021978 k( 418) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0021978 k( 419) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0021978 k( 420) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0021978 k( 421) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0021978 k( 422) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0021978 k( 423) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0021978 k( 424) = ( 0.3898810 0.3898809 0.7202381), wk = 0.0021978 k( 425) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0021978 k( 426) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0021978 k( 427) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0021978 k( 428) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0021978 k( 429) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021978 k( 430) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021978 k( 431) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021978 k( 432) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021978 k( 433) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021978 k( 434) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021978 k( 435) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021978 k( 436) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021978 k( 437) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021978 k( 438) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021978 k( 439) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021978 k( 440) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021978 k( 441) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021978 k( 442) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021978 k( 443) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021978 k( 444) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021978 k( 445) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021978 k( 446) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021978 k( 447) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021978 k( 448) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021978 k( 449) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021978 k( 450) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021978 k( 451) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021978 k( 452) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021978 k( 453) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021978 k( 454) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021978 k( 455) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021978 Dense grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5817 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 30, 16) NL pseudopotentials 0.01 Mb ( 15, 28) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 339) G-vector shells 0.00 Mb ( 134) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 30, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./GeC.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.0 secs Computing kpt #: 2 total cpu time spent up to now is 39.1 secs Computing kpt #: 3 total cpu time spent up to now is 39.1 secs Computing kpt #: 4 total cpu time spent up to now is 39.2 secs Computing kpt #: 5 total cpu time spent up to now is 39.3 secs Computing kpt #: 6 total cpu time spent up to now is 39.4 secs Computing kpt #: 7 total cpu time spent up to now is 39.4 secs Computing kpt #: 8 total cpu time spent up to now is 39.5 secs Computing kpt #: 9 total cpu time spent up to now is 39.6 secs Computing kpt #: 10 total cpu time spent up to now is 39.7 secs Computing kpt #: 11 total cpu time spent up to now is 39.7 secs Computing kpt #: 12 total cpu time spent up to now is 40.0 secs Computing kpt #: 13 total cpu time spent up to now is 40.1 secs Computing kpt #: 14 total cpu time spent up to now is 40.2 secs Computing kpt #: 15 total cpu time spent up to now is 40.3 secs Computing kpt #: 16 total cpu time spent up to now is 40.4 secs Computing kpt #: 17 total cpu time spent up to now is 40.5 secs Computing kpt #: 18 total cpu time spent up to now is 40.5 secs Computing kpt #: 19 total cpu time spent up to now is 40.6 secs Computing kpt #: 20 total cpu time spent up to now is 40.7 secs Computing kpt #: 21 total cpu time spent up to now is 40.8 secs Computing kpt #: 22 total cpu time spent up to now is 40.9 secs Computing kpt #: 23 total cpu time spent up to now is 41.0 secs Computing kpt #: 24 total cpu time spent up to now is 41.1 secs Computing kpt #: 25 total cpu time spent up to now is 41.2 secs Computing kpt #: 26 total cpu time spent up to now is 41.3 secs Computing kpt #: 27 total cpu time spent up to now is 41.3 secs Computing kpt #: 28 total cpu time spent up to now is 41.4 secs Computing kpt #: 29 total cpu time spent up to now is 41.5 secs Computing kpt #: 30 total cpu time spent up to now is 41.6 secs Computing kpt #: 31 total cpu time spent up to now is 41.7 secs Computing kpt #: 32 total cpu time spent up to now is 41.8 secs Computing kpt #: 33 total cpu time spent up to now is 41.9 secs Computing kpt #: 34 total cpu time spent up to now is 42.0 secs Computing kpt #: 35 total cpu time spent up to now is 42.1 secs Computing kpt #: 36 total cpu time spent up to now is 42.1 secs Computing kpt #: 37 total cpu time spent up to now is 42.2 secs Computing kpt #: 38 total cpu time spent up to now is 42.3 secs Computing kpt #: 39 total cpu time spent up to now is 42.4 secs Computing kpt #: 40 total cpu time spent up to now is 42.5 secs Computing kpt #: 41 total cpu time spent up to now is 42.6 secs Computing kpt #: 42 total cpu time spent up to now is 42.7 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 43.0 secs Computing kpt #: 45 total cpu time spent up to now is 43.2 secs Computing kpt #: 46 total cpu time spent up to now is 43.3 secs Computing kpt #: 47 total cpu time spent up to now is 43.4 secs Computing kpt #: 48 total cpu time spent up to now is 43.6 secs Computing kpt #: 49 total cpu time spent up to now is 43.7 secs Computing kpt #: 50 total cpu time spent up to now is 43.9 secs Computing kpt #: 51 total cpu time spent up to now is 44.2 secs Computing kpt #: 52 total cpu time spent up to now is 44.5 secs Computing kpt #: 53 total cpu time spent up to now is 44.7 secs Computing kpt #: 54 total cpu time spent up to now is 44.8 secs Computing kpt #: 55 total cpu time spent up to now is 45.0 secs Computing kpt #: 56 total cpu time spent up to now is 45.2 secs Computing kpt #: 57 total cpu time spent up to now is 45.4 secs Computing kpt #: 58 total cpu time spent up to now is 45.7 secs Computing kpt #: 59 total cpu time spent up to now is 45.8 secs Computing kpt #: 60 total cpu time spent up to now is 45.9 secs Computing kpt #: 61 total cpu time spent up to now is 46.1 secs Computing kpt #: 62 total cpu time spent up to now is 46.3 secs Computing kpt #: 63 total cpu time spent up to now is 46.5 secs Computing kpt #: 64 total cpu time spent up to now is 46.6 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.0 secs Computing kpt #: 67 total cpu time spent up to now is 47.1 secs Computing kpt #: 68 total cpu time spent up to now is 47.3 secs Computing kpt #: 69 total cpu time spent up to now is 47.5 secs Computing kpt #: 70 total cpu time spent up to now is 47.7 secs Computing kpt #: 71 total cpu time spent up to now is 47.8 secs Computing kpt #: 72 total cpu time spent up to now is 47.9 secs Computing kpt #: 73 total cpu time spent up to now is 48.0 secs Computing kpt #: 74 total cpu time spent up to now is 48.1 secs Computing kpt #: 75 total cpu time spent up to now is 48.2 secs Computing kpt #: 76 total cpu time spent up to now is 48.4 secs Computing kpt #: 77 total cpu time spent up to now is 48.5 secs Computing kpt #: 78 total cpu time spent up to now is 48.6 secs Computing kpt #: 79 total cpu time spent up to now is 48.9 secs Computing kpt #: 80 total cpu time spent up to now is 49.0 secs Computing kpt #: 81 total cpu time spent up to now is 49.1 secs Computing kpt #: 82 total cpu time spent up to now is 49.2 secs Computing kpt #: 83 total cpu time spent up to now is 49.3 secs Computing kpt #: 84 total cpu time spent up to now is 49.4 secs Computing kpt #: 85 total cpu time spent up to now is 49.5 secs Computing kpt #: 86 total cpu time spent up to now is 49.6 secs Computing kpt #: 87 total cpu time spent up to now is 49.7 secs Computing kpt #: 88 total cpu time spent up to now is 49.8 secs Computing kpt #: 89 total cpu time spent up to now is 49.9 secs Computing kpt #: 90 total cpu time spent up to now is 50.2 secs Computing kpt #: 91 total cpu time spent up to now is 50.4 secs Computing kpt #: 92 total cpu time spent up to now is 50.6 secs Computing kpt #: 93 total cpu time spent up to now is 50.8 secs Computing kpt #: 94 total cpu time spent up to now is 51.0 secs Computing kpt #: 95 total cpu time spent up to now is 51.1 secs Computing kpt #: 96 total cpu time spent up to now is 51.3 secs Computing kpt #: 97 total cpu time spent up to now is 51.4 secs Computing kpt #: 98 total cpu time spent up to now is 51.6 secs Computing kpt #: 99 total cpu time spent up to now is 51.7 secs Computing kpt #: 100 total cpu time spent up to now is 51.9 secs Computing kpt #: 101 total cpu time spent up to now is 52.0 secs Computing kpt #: 102 total cpu time spent up to now is 52.3 secs Computing kpt #: 103 total cpu time spent up to now is 52.6 secs Computing kpt #: 104 total cpu time spent up to now is 52.8 secs Computing kpt #: 105 total cpu time spent up to now is 53.0 secs Computing kpt #: 106 total cpu time spent up to now is 53.1 secs Computing kpt #: 107 total cpu time spent up to now is 53.3 secs Computing kpt #: 108 total cpu time spent up to now is 53.5 secs Computing kpt #: 109 total cpu time spent up to now is 53.6 secs Computing kpt #: 110 total cpu time spent up to now is 53.7 secs Computing kpt #: 111 total cpu time spent up to now is 53.9 secs Computing kpt #: 112 total cpu time spent up to now is 54.0 secs Computing kpt #: 113 total cpu time spent up to now is 54.1 secs Computing kpt #: 114 total cpu time spent up to now is 54.2 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.5 secs Computing kpt #: 117 total cpu time spent up to now is 54.6 secs Computing kpt #: 118 total cpu time spent up to now is 54.7 secs Computing kpt #: 119 total cpu time spent up to now is 54.8 secs Computing kpt #: 120 total cpu time spent up to now is 54.9 secs Computing kpt #: 121 total cpu time spent up to now is 55.0 secs Computing kpt #: 122 total cpu time spent up to now is 55.1 secs Computing kpt #: 123 total cpu time spent up to now is 55.2 secs Computing kpt #: 124 total cpu time spent up to now is 55.3 secs Computing kpt #: 125 total cpu time spent up to now is 55.4 secs Computing kpt #: 126 total cpu time spent up to now is 55.5 secs Computing kpt #: 127 total cpu time spent up to now is 55.6 secs Computing kpt #: 128 total cpu time spent up to now is 55.7 secs Computing kpt #: 129 total cpu time spent up to now is 55.8 secs Computing kpt #: 130 total cpu time spent up to now is 55.9 secs Computing kpt #: 131 total cpu time spent up to now is 56.1 secs Computing kpt #: 132 total cpu time spent up to now is 56.2 secs Computing kpt #: 133 total cpu time spent up to now is 56.3 secs Computing kpt #: 134 total cpu time spent up to now is 56.5 secs Computing kpt #: 135 total cpu time spent up to now is 56.6 secs Computing kpt #: 136 total cpu time spent up to now is 56.8 secs Computing kpt #: 137 total cpu time spent up to now is 57.1 secs Computing kpt #: 138 total cpu time spent up to now is 57.2 secs Computing kpt #: 139 total cpu time spent up to now is 57.3 secs Computing kpt #: 140 total cpu time spent up to now is 57.5 secs Computing kpt #: 141 total cpu time spent up to now is 57.6 secs Computing kpt #: 142 total cpu time spent up to now is 57.7 secs Computing kpt #: 143 total cpu time spent up to now is 57.9 secs Computing kpt #: 144 total cpu time spent up to now is 58.0 secs Computing kpt #: 145 total cpu time spent up to now is 58.2 secs Computing kpt #: 146 total cpu time spent up to now is 58.3 secs Computing kpt #: 147 total cpu time spent up to now is 58.4 secs Computing kpt #: 148 total cpu time spent up to now is 58.6 secs Computing kpt #: 149 total cpu time spent up to now is 58.7 secs Computing kpt #: 150 total cpu time spent up to now is 58.8 secs Computing kpt #: 151 total cpu time spent up to now is 59.1 secs Computing kpt #: 152 total cpu time spent up to now is 59.2 secs Computing kpt #: 153 total cpu time spent up to now is 59.3 secs Computing kpt #: 154 total cpu time spent up to now is 59.5 secs Computing kpt #: 155 total cpu time spent up to now is 59.6 secs Computing kpt #: 156 total cpu time spent up to now is 59.7 secs Computing kpt #: 157 total cpu time spent up to now is 60.0 secs Computing kpt #: 158 total cpu time spent up to now is 60.1 secs Computing kpt #: 159 total cpu time spent up to now is 60.2 secs Computing kpt #: 160 total cpu time spent up to now is 60.3 secs Computing kpt #: 161 total cpu time spent up to now is 60.4 secs Computing kpt #: 162 total cpu time spent up to now is 60.5 secs Computing kpt #: 163 total cpu time spent up to now is 60.6 secs Computing kpt #: 164 total cpu time spent up to now is 60.7 secs Computing kpt #: 165 total cpu time spent up to now is 60.7 secs Computing kpt #: 166 total cpu time spent up to now is 60.8 secs Computing kpt #: 167 total cpu time spent up to now is 60.9 secs Computing kpt #: 168 total cpu time spent up to now is 61.0 secs Computing kpt #: 169 total cpu time spent up to now is 61.1 secs Computing kpt #: 170 total cpu time spent up to now is 61.2 secs Computing kpt #: 171 total cpu time spent up to now is 61.3 secs Computing kpt #: 172 total cpu time spent up to now is 61.5 secs Computing kpt #: 173 total cpu time spent up to now is 61.6 secs Computing kpt #: 174 total cpu time spent up to now is 61.7 secs Computing kpt #: 175 total cpu time spent up to now is 61.9 secs Computing kpt #: 176 total cpu time spent up to now is 61.9 secs Computing kpt #: 177 total cpu time spent up to now is 62.0 secs Computing kpt #: 178 total cpu time spent up to now is 62.2 secs Computing kpt #: 179 total cpu time spent up to now is 62.3 secs Computing kpt #: 180 total cpu time spent up to now is 62.5 secs Computing kpt #: 181 total cpu time spent up to now is 62.6 secs Computing kpt #: 182 total cpu time spent up to now is 62.8 secs Computing kpt #: 183 total cpu time spent up to now is 63.1 secs Computing kpt #: 184 total cpu time spent up to now is 63.3 secs Computing kpt #: 185 total cpu time spent up to now is 63.4 secs Computing kpt #: 186 total cpu time spent up to now is 63.6 secs Computing kpt #: 187 total cpu time spent up to now is 63.8 secs Computing kpt #: 188 total cpu time spent up to now is 63.9 secs Computing kpt #: 189 total cpu time spent up to now is 64.1 secs Computing kpt #: 190 total cpu time spent up to now is 64.3 secs Computing kpt #: 191 total cpu time spent up to now is 64.4 secs Computing kpt #: 192 total cpu time spent up to now is 64.6 secs Computing kpt #: 193 total cpu time spent up to now is 64.9 secs Computing kpt #: 194 total cpu time spent up to now is 65.0 secs Computing kpt #: 195 total cpu time spent up to now is 65.3 secs Computing kpt #: 196 total cpu time spent up to now is 65.4 secs Computing kpt #: 197 total cpu time spent up to now is 65.6 secs Computing kpt #: 198 total cpu time spent up to now is 65.7 secs Computing kpt #: 199 total cpu time spent up to now is 65.8 secs Computing kpt #: 200 total cpu time spent up to now is 65.9 secs Computing kpt #: 201 total cpu time spent up to now is 66.0 secs Computing kpt #: 202 total cpu time spent up to now is 66.0 secs Computing kpt #: 203 total cpu time spent up to now is 66.1 secs Computing kpt #: 204 total cpu time spent up to now is 66.2 secs Computing kpt #: 205 total cpu time spent up to now is 66.2 secs Computing kpt #: 206 total cpu time spent up to now is 66.3 secs Computing kpt #: 207 total cpu time spent up to now is 66.4 secs Computing kpt #: 208 total cpu time spent up to now is 66.5 secs Computing kpt #: 209 total cpu time spent up to now is 66.5 secs Computing kpt #: 210 total cpu time spent up to now is 66.6 secs Computing kpt #: 211 total cpu time spent up to now is 66.7 secs Computing kpt #: 212 total cpu time spent up to now is 66.8 secs Computing kpt #: 213 total cpu time spent up to now is 66.8 secs Computing kpt #: 214 total cpu time spent up to now is 66.9 secs Computing kpt #: 215 total cpu time spent up to now is 67.0 secs Computing kpt #: 216 total cpu time spent up to now is 67.0 secs Computing kpt #: 217 total cpu time spent up to now is 67.1 secs Computing kpt #: 218 total cpu time spent up to now is 67.2 secs Computing kpt #: 219 total cpu time spent up to now is 67.3 secs Computing kpt #: 220 total cpu time spent up to now is 67.4 secs Computing kpt #: 221 total cpu time spent up to now is 67.5 secs Computing kpt #: 222 total cpu time spent up to now is 67.6 secs Computing kpt #: 223 total cpu time spent up to now is 67.8 secs Computing kpt #: 224 total cpu time spent up to now is 67.9 secs Computing kpt #: 225 total cpu time spent up to now is 68.2 secs Computing kpt #: 226 total cpu time spent up to now is 68.3 secs Computing kpt #: 227 total cpu time spent up to now is 68.4 secs Computing kpt #: 228 total cpu time spent up to now is 68.6 secs Computing kpt #: 229 total cpu time spent up to now is 68.9 secs Computing kpt #: 230 total cpu time spent up to now is 69.2 secs Computing kpt #: 231 total cpu time spent up to now is 69.5 secs Computing kpt #: 232 total cpu time spent up to now is 69.6 secs Computing kpt #: 233 total cpu time spent up to now is 69.7 secs Computing kpt #: 234 total cpu time spent up to now is 69.8 secs Computing kpt #: 235 total cpu time spent up to now is 70.0 secs Computing kpt #: 236 total cpu time spent up to now is 70.0 secs Computing kpt #: 237 total cpu time spent up to now is 70.2 secs Computing kpt #: 238 total cpu time spent up to now is 70.3 secs Computing kpt #: 239 total cpu time spent up to now is 70.4 secs Computing kpt #: 240 total cpu time spent up to now is 70.6 secs Computing kpt #: 241 total cpu time spent up to now is 70.8 secs Computing kpt #: 242 total cpu time spent up to now is 71.0 secs Computing kpt #: 243 total cpu time spent up to now is 71.1 secs Computing kpt #: 244 total cpu time spent up to now is 71.3 secs Computing kpt #: 245 total cpu time spent up to now is 71.4 secs Computing kpt #: 246 total cpu time spent up to now is 71.5 secs Computing kpt #: 247 total cpu time spent up to now is 71.7 secs Computing kpt #: 248 total cpu time spent up to now is 71.9 secs Computing kpt #: 249 total cpu time spent up to now is 72.0 secs Computing kpt #: 250 total cpu time spent up to now is 72.1 secs Computing kpt #: 251 total cpu time spent up to now is 72.2 secs Computing kpt #: 252 total cpu time spent up to now is 72.5 secs Computing kpt #: 253 total cpu time spent up to now is 72.6 secs Computing kpt #: 254 total cpu time spent up to now is 72.7 secs Computing kpt #: 255 total cpu time spent up to now is 72.8 secs Computing kpt #: 256 total cpu time spent up to now is 72.9 secs Computing kpt #: 257 total cpu time spent up to now is 72.9 secs Computing kpt #: 258 total cpu time spent up to now is 73.0 secs Computing kpt #: 259 total cpu time spent up to now is 73.1 secs Computing kpt #: 260 total cpu time spent up to now is 73.2 secs Computing kpt #: 261 total cpu time spent up to now is 73.3 secs Computing kpt #: 262 total cpu time spent up to now is 73.4 secs Computing kpt #: 263 total cpu time spent up to now is 73.4 secs Computing kpt #: 264 total cpu time spent up to now is 73.5 secs Computing kpt #: 265 total cpu time spent up to now is 73.6 secs Computing kpt #: 266 total cpu time spent up to now is 73.7 secs Computing kpt #: 267 total cpu time spent up to now is 73.8 secs Computing kpt #: 268 total cpu time spent up to now is 73.8 secs Computing kpt #: 269 total cpu time spent up to now is 73.9 secs Computing kpt #: 270 total cpu time spent up to now is 74.0 secs Computing kpt #: 271 total cpu time spent up to now is 74.1 secs Computing kpt #: 272 total cpu time spent up to now is 74.2 secs Computing kpt #: 273 total cpu time spent up to now is 74.5 secs Computing kpt #: 274 total cpu time spent up to now is 74.6 secs Computing kpt #: 275 total cpu time spent up to now is 74.8 secs Computing kpt #: 276 total cpu time spent up to now is 75.0 secs Computing kpt #: 277 total cpu time spent up to now is 75.2 secs Computing kpt #: 278 total cpu time spent up to now is 75.4 secs Computing kpt #: 279 total cpu time spent up to now is 75.5 secs Computing kpt #: 280 total cpu time spent up to now is 75.7 secs Computing kpt #: 281 total cpu time spent up to now is 75.8 secs Computing kpt #: 282 total cpu time spent up to now is 76.1 secs Computing kpt #: 283 total cpu time spent up to now is 76.2 secs Computing kpt #: 284 total cpu time spent up to now is 76.3 secs Computing kpt #: 285 total cpu time spent up to now is 76.5 secs Computing kpt #: 286 total cpu time spent up to now is 76.6 secs Computing kpt #: 287 total cpu time spent up to now is 76.8 secs Computing kpt #: 288 total cpu time spent up to now is 76.9 secs Computing kpt #: 289 total cpu time spent up to now is 77.1 secs Computing kpt #: 290 total cpu time spent up to now is 77.2 secs Computing kpt #: 291 total cpu time spent up to now is 77.3 secs Computing kpt #: 292 total cpu time spent up to now is 77.8 secs Computing kpt #: 293 total cpu time spent up to now is 78.2 secs Computing kpt #: 294 total cpu time spent up to now is 78.5 secs Computing kpt #: 295 total cpu time spent up to now is 78.6 secs Computing kpt #: 296 total cpu time spent up to now is 78.7 secs Computing kpt #: 297 total cpu time spent up to now is 78.8 secs Computing kpt #: 298 total cpu time spent up to now is 79.0 secs Computing kpt #: 299 total cpu time spent up to now is 79.4 secs Computing kpt #: 300 total cpu time spent up to now is 79.5 secs Computing kpt #: 301 total cpu time spent up to now is 79.6 secs Computing kpt #: 302 total cpu time spent up to now is 79.7 secs Computing kpt #: 303 total cpu time spent up to now is 79.8 secs Computing kpt #: 304 total cpu time spent up to now is 79.9 secs Computing kpt #: 305 total cpu time spent up to now is 80.0 secs Computing kpt #: 306 total cpu time spent up to now is 80.1 secs Computing kpt #: 307 total cpu time spent up to now is 80.2 secs Computing kpt #: 308 total cpu time spent up to now is 80.3 secs Computing kpt #: 309 total cpu time spent up to now is 80.4 secs Computing kpt #: 310 total cpu time spent up to now is 80.5 secs Computing kpt #: 311 total cpu time spent up to now is 80.6 secs Computing kpt #: 312 total cpu time spent up to now is 80.7 secs Computing kpt #: 313 total cpu time spent up to now is 80.8 secs Computing kpt #: 314 total cpu time spent up to now is 80.9 secs Computing kpt #: 315 total cpu time spent up to now is 81.1 secs Computing kpt #: 316 total cpu time spent up to now is 81.2 secs Computing kpt #: 317 total cpu time spent up to now is 81.5 secs Computing kpt #: 318 total cpu time spent up to now is 81.7 secs Computing kpt #: 319 total cpu time spent up to now is 81.8 secs Computing kpt #: 320 total cpu time spent up to now is 82.0 secs Computing kpt #: 321 total cpu time spent up to now is 82.2 secs Computing kpt #: 322 total cpu time spent up to now is 82.4 secs Computing kpt #: 323 total cpu time spent up to now is 82.5 secs Computing kpt #: 324 total cpu time spent up to now is 82.7 secs Computing kpt #: 325 total cpu time spent up to now is 82.9 secs Computing kpt #: 326 total cpu time spent up to now is 83.0 secs Computing kpt #: 327 total cpu time spent up to now is 83.2 secs Computing kpt #: 328 total cpu time spent up to now is 83.4 secs Computing kpt #: 329 total cpu time spent up to now is 83.6 secs Computing kpt #: 330 total cpu time spent up to now is 83.7 secs Computing kpt #: 331 total cpu time spent up to now is 84.0 secs Computing kpt #: 332 total cpu time spent up to now is 84.2 secs Computing kpt #: 333 total cpu time spent up to now is 84.3 secs Computing kpt #: 334 total cpu time spent up to now is 84.5 secs Computing kpt #: 335 total cpu time spent up to now is 84.8 secs Computing kpt #: 336 total cpu time spent up to now is 84.9 secs Computing kpt #: 337 total cpu time spent up to now is 85.0 secs Computing kpt #: 338 total cpu time spent up to now is 85.1 secs Computing kpt #: 339 total cpu time spent up to now is 85.3 secs Computing kpt #: 340 total cpu time spent up to now is 85.5 secs Computing kpt #: 341 total cpu time spent up to now is 85.8 secs Computing kpt #: 342 total cpu time spent up to now is 85.9 secs Computing kpt #: 343 total cpu time spent up to now is 86.0 secs Computing kpt #: 344 total cpu time spent up to now is 86.1 secs Computing kpt #: 345 total cpu time spent up to now is 86.2 secs Computing kpt #: 346 total cpu time spent up to now is 86.4 secs Computing kpt #: 347 total cpu time spent up to now is 86.5 secs Computing kpt #: 348 total cpu time spent up to now is 86.6 secs Computing kpt #: 349 total cpu time spent up to now is 86.7 secs Computing kpt #: 350 total cpu time spent up to now is 86.8 secs Computing kpt #: 351 total cpu time spent up to now is 86.9 secs Computing kpt #: 352 total cpu time spent up to now is 87.1 secs Computing kpt #: 353 total cpu time spent up to now is 87.2 secs Computing kpt #: 354 total cpu time spent up to now is 87.4 secs Computing kpt #: 355 total cpu time spent up to now is 87.5 secs Computing kpt #: 356 total cpu time spent up to now is 87.7 secs Computing kpt #: 357 total cpu time spent up to now is 87.9 secs Computing kpt #: 358 total cpu time spent up to now is 88.0 secs Computing kpt #: 359 total cpu time spent up to now is 88.2 secs Computing kpt #: 360 total cpu time spent up to now is 88.3 secs Computing kpt #: 361 total cpu time spent up to now is 88.6 secs Computing kpt #: 362 total cpu time spent up to now is 88.8 secs Computing kpt #: 363 total cpu time spent up to now is 89.0 secs Computing kpt #: 364 total cpu time spent up to now is 89.2 secs Computing kpt #: 365 total cpu time spent up to now is 89.4 secs Computing kpt #: 366 total cpu time spent up to now is 89.5 secs Computing kpt #: 367 total cpu time spent up to now is 89.6 secs Computing kpt #: 368 total cpu time spent up to now is 89.7 secs Computing kpt #: 369 total cpu time spent up to now is 89.8 secs Computing kpt #: 370 total cpu time spent up to now is 89.9 secs Computing kpt #: 371 total cpu time spent up to now is 90.1 secs Computing kpt #: 372 total cpu time spent up to now is 90.3 secs Computing kpt #: 373 total cpu time spent up to now is 90.4 secs Computing kpt #: 374 total cpu time spent up to now is 90.5 secs Computing kpt #: 375 total cpu time spent up to now is 90.6 secs Computing kpt #: 376 total cpu time spent up to now is 90.7 secs Computing kpt #: 377 total cpu time spent up to now is 90.8 secs Computing kpt #: 378 total cpu time spent up to now is 90.9 secs Computing kpt #: 379 total cpu time spent up to now is 91.0 secs Computing kpt #: 380 total cpu time spent up to now is 91.1 secs Computing kpt #: 381 total cpu time spent up to now is 91.1 secs Computing kpt #: 382 total cpu time spent up to now is 91.2 secs Computing kpt #: 383 total cpu time spent up to now is 91.3 secs Computing kpt #: 384 total cpu time spent up to now is 91.4 secs Computing kpt #: 385 total cpu time spent up to now is 91.5 secs Computing kpt #: 386 total cpu time spent up to now is 91.6 secs Computing kpt #: 387 total cpu time spent up to now is 91.6 secs Computing kpt #: 388 total cpu time spent up to now is 91.8 secs Computing kpt #: 389 total cpu time spent up to now is 91.9 secs Computing kpt #: 390 total cpu time spent up to now is 92.0 secs Computing kpt #: 391 total cpu time spent up to now is 92.2 secs Computing kpt #: 392 total cpu time spent up to now is 92.5 secs Computing kpt #: 393 total cpu time spent up to now is 92.6 secs Computing kpt #: 394 total cpu time spent up to now is 92.8 secs Computing kpt #: 395 total cpu time spent up to now is 93.0 secs Computing kpt #: 396 total cpu time spent up to now is 93.1 secs Computing kpt #: 397 total cpu time spent up to now is 93.3 secs Computing kpt #: 398 total cpu time spent up to now is 93.5 secs Computing kpt #: 399 total cpu time spent up to now is 93.7 secs Computing kpt #: 400 total cpu time spent up to now is 93.9 secs Computing kpt #: 401 total cpu time spent up to now is 94.1 secs Computing kpt #: 402 total cpu time spent up to now is 94.2 secs Computing kpt #: 403 total cpu time spent up to now is 94.4 secs Computing kpt #: 404 total cpu time spent up to now is 94.7 secs Computing kpt #: 405 total cpu time spent up to now is 94.8 secs Computing kpt #: 406 total cpu time spent up to now is 95.0 secs Computing kpt #: 407 total cpu time spent up to now is 95.1 secs Computing kpt #: 408 total cpu time spent up to now is 95.2 secs Computing kpt #: 409 total cpu time spent up to now is 95.3 secs Computing kpt #: 410 total cpu time spent up to now is 95.6 secs Computing kpt #: 411 total cpu time spent up to now is 95.7 secs Computing kpt #: 412 total cpu time spent up to now is 95.8 secs Computing kpt #: 413 total cpu time spent up to now is 95.9 secs Computing kpt #: 414 total cpu time spent up to now is 96.0 secs Computing kpt #: 415 total cpu time spent up to now is 96.1 secs Computing kpt #: 416 total cpu time spent up to now is 96.2 secs Computing kpt #: 417 total cpu time spent up to now is 96.2 secs Computing kpt #: 418 total cpu time spent up to now is 96.3 secs Computing kpt #: 419 total cpu time spent up to now is 96.4 secs Computing kpt #: 420 total cpu time spent up to now is 96.6 secs Computing kpt #: 421 total cpu time spent up to now is 96.7 secs Computing kpt #: 422 total cpu time spent up to now is 96.8 secs Computing kpt #: 423 total cpu time spent up to now is 97.0 secs Computing kpt #: 424 total cpu time spent up to now is 97.2 secs Computing kpt #: 425 total cpu time spent up to now is 97.4 secs Computing kpt #: 426 total cpu time spent up to now is 97.5 secs Computing kpt #: 427 total cpu time spent up to now is 97.7 secs Computing kpt #: 428 total cpu time spent up to now is 97.9 secs Computing kpt #: 429 total cpu time spent up to now is 98.1 secs Computing kpt #: 430 total cpu time spent up to now is 98.4 secs Computing kpt #: 431 total cpu time spent up to now is 98.9 secs Computing kpt #: 432 total cpu time spent up to now is 99.4 secs Computing kpt #: 433 total cpu time spent up to now is 99.6 secs Computing kpt #: 434 total cpu time spent up to now is 99.8 secs Computing kpt #: 435 total cpu time spent up to now is 100.2 secs Computing kpt #: 436 total cpu time spent up to now is 100.3 secs Computing kpt #: 437 total cpu time spent up to now is 100.4 secs Computing kpt #: 438 total cpu time spent up to now is 100.5 secs Computing kpt #: 439 total cpu time spent up to now is 100.6 secs Computing kpt #: 440 total cpu time spent up to now is 100.7 secs Computing kpt #: 441 total cpu time spent up to now is 100.8 secs Computing kpt #: 442 total cpu time spent up to now is 100.9 secs Computing kpt #: 443 total cpu time spent up to now is 101.0 secs Computing kpt #: 444 total cpu time spent up to now is 101.1 secs Computing kpt #: 445 total cpu time spent up to now is 101.2 secs Computing kpt #: 446 total cpu time spent up to now is 101.3 secs Computing kpt #: 447 total cpu time spent up to now is 101.4 secs Computing kpt #: 448 total cpu time spent up to now is 101.5 secs Computing kpt #: 449 total cpu time spent up to now is 101.6 secs Computing kpt #: 450 total cpu time spent up to now is 101.7 secs Computing kpt #: 451 total cpu time spent up to now is 101.9 secs Computing kpt #: 452 total cpu time spent up to now is 102.2 secs Computing kpt #: 453 total cpu time spent up to now is 102.3 secs Computing kpt #: 454 total cpu time spent up to now is 102.4 secs Computing kpt #: 455 total cpu time spent up to now is 102.7 secs ethr = 1.25E-10, avg # of iterations = 12.8 total cpu time spent up to now is 102.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -7.0072 -7.0072 8.4333 8.4333 8.4892 8.4892 8.4892 8.4892 12.0420 12.0420 14.4651 14.4651 14.8092 14.8092 14.8092 14.8092 k = 0.0072-0.0042 0.0059 ( 725 PWs) bands (ev): -7.0059 -7.0059 8.4287 8.4287 8.4837 8.4837 8.4859 8.4859 12.0481 12.0481 14.4666 14.4666 14.8074 14.8074 14.8135 14.8135 k = 0.0145-0.0084 0.0118 ( 725 PWs) bands (ev): -7.0021 -7.0021 8.4147 8.4147 8.4678 8.4678 8.4762 8.4762 12.0661 12.0661 14.4702 14.4702 14.8025 14.8025 14.8262 14.8262 k = 0.0217-0.0126 0.0177 ( 725 PWs) bands (ev): -6.9957 -6.9957 8.3895 8.3895 8.4437 8.4437 8.4600 8.4600 12.0956 12.0956 14.4738 14.4738 14.7969 14.7969 14.8472 14.8472 k = 0.0290-0.0167 0.0237 ( 725 PWs) bands (ev): -6.9868 -6.9868 8.3513 8.3513 8.4141 8.4141 8.4377 8.4377 12.1359 12.1359 14.4737 14.4737 14.7944 14.7944 14.8765 14.8765 k = 0.0362-0.0209 0.0296 ( 725 PWs) bands (ev): -6.9754 -6.9754 8.2995 8.2995 8.3805 8.3805 8.4093 8.4093 12.1861 12.1861 14.4650 14.4650 14.8001 14.8001 14.9138 14.9138 k = 0.0435-0.0251 0.0355 ( 725 PWs) bands (ev): -6.9614 -6.9614 8.2355 8.2355 8.3429 8.3429 8.3752 8.3752 12.2451 12.2451 14.4435 14.4435 14.8184 14.8184 14.9587 14.9587 k = 0.0507-0.0293 0.0414 ( 725 PWs) bands (ev): -6.9448 -6.9448 8.1609 8.1609 8.3007 8.3007 8.3356 8.3356 12.3120 12.3120 14.4078 14.4078 14.8509 14.8509 15.0112 15.0112 k = 0.0580-0.0335 0.0473 ( 725 PWs) bands (ev): -6.9258 -6.9258 8.0771 8.0771 8.2540 8.2540 8.2909 8.2909 12.3854 12.3854 14.3591 14.3591 14.8966 14.8966 15.0706 15.0706 k = 0.0652-0.0377 0.0532 ( 729 PWs) bands (ev): -6.9042 -6.9042 7.9852 7.9852 8.2027 8.2027 8.2415 8.2415 12.4644 12.4644 14.2995 14.2995 14.9537 14.9537 15.1368 15.1368 k = 0.0725-0.0418 0.0592 ( 729 PWs) bands (ev): -6.8800 -6.8800 7.8865 7.8865 8.1472 8.1472 8.1877 8.1877 12.5479 12.5479 14.2311 14.2311 15.0204 15.0204 15.2094 15.2094 k = 0.0797-0.0460 0.0651 ( 729 PWs) bands (ev): -6.8534 -6.8534 7.7816 7.7816 8.0878 8.0878 8.1299 8.1299 12.6348 12.6348 14.1554 14.1554 15.0952 15.0952 15.2879 15.2879 k = 0.0870-0.0502 0.0710 ( 729 PWs) bands (ev): -6.8242 -6.8242 7.6714 7.6714 8.0248 8.0248 8.0685 8.0685 12.7241 12.7241 14.0739 14.0739 15.1771 15.1771 15.3719 15.3719 k = 0.0942-0.0544 0.0769 ( 721 PWs) bands (ev): -6.7924 -6.7924 7.5565 7.5565 7.9585 7.9585 8.0039 8.0039 12.8150 12.8150 13.9874 13.9874 15.2653 15.2653 15.4612 15.4612 k = 0.1014-0.0586 0.0828 ( 721 PWs) bands (ev): -6.7582 -6.7582 7.4374 7.4374 7.8893 7.8893 7.9363 7.9363 12.9064 12.9064 13.8968 13.8968 15.3589 15.3589 15.5552 15.5552 k = 0.1087-0.0628 0.0887 ( 721 PWs) bands (ev): -6.7214 -6.7214 7.3145 7.3145 7.8176 7.8176 7.8662 7.8662 12.9975 12.9975 13.8029 13.8029 15.4575 15.4575 15.6537 15.6537 k = 0.1159-0.0669 0.0947 ( 713 PWs) bands (ev): -6.6822 -6.6822 7.1884 7.1884 7.7437 7.7437 7.7939 7.7939 13.0875 13.0875 13.7064 13.7064 15.5607 15.5607 15.7562 15.7562 k = 0.1232-0.0711 0.1006 ( 717 PWs) bands (ev): -6.6404 -6.6404 7.0593 7.0593 7.6679 7.6679 7.7196 7.7196 13.1751 13.1751 13.6079 13.6079 15.6678 15.6678 15.8624 15.8624 k = 0.1304-0.0753 0.1065 ( 717 PWs) bands (ev): -6.5962 -6.5962 6.9275 6.9275 7.5905 7.5905 7.6437 7.6437 13.2587 13.2587 13.5087 13.5087 15.7785 15.7785 15.9720 15.9720 k = 0.1377-0.0795 0.1124 ( 721 PWs) bands (ev): -6.5495 -6.5495 6.7932 6.7932 7.5118 7.5118 7.5666 7.5666 13.3297 13.3297 13.4171 13.4171 15.8924 15.8924 16.0847 16.0847 k = 0.1449-0.0837 0.1183 ( 721 PWs) bands (ev): -6.5003 -6.5003 6.6569 6.6569 7.4321 7.4321 7.4884 7.4884 13.2899 13.2899 13.4307 13.4307 16.0092 16.0092 16.2002 16.2002 k = 0.1522-0.0879 0.1242 ( 709 PWs) bands (ev): -6.4486 -6.4486 6.5186 6.5186 7.3518 7.3518 7.4095 7.4095 13.1904 13.1904 13.4981 13.4981 16.1288 16.1288 16.3183 16.3183 k = 0.1594-0.0920 0.1302 ( 709 PWs) bands (ev): -6.3945 -6.3945 6.3785 6.3785 7.2708 7.2708 7.3299 7.3299 13.0871 13.0871 13.5626 13.5626 16.2506 16.2506 16.4386 16.4386 k = 0.1667-0.0962 0.1361 ( 709 PWs) bands (ev): -6.3379 -6.3379 6.2366 6.2366 7.1895 7.1895 7.2500 7.2500 12.9829 12.9829 13.6206 13.6206 16.3744 16.3744 16.5608 16.5608 k = 0.1739-0.1004 0.1420 ( 709 PWs) bands (ev): -6.2789 -6.2789 6.0932 6.0932 7.1081 7.1081 7.1700 7.1700 12.8786 12.8786 13.6709 13.6709 16.5000 16.5000 16.6848 16.6848 k = 0.1812-0.1046 0.1479 ( 717 PWs) bands (ev): -6.2175 -6.2175 5.9483 5.9483 7.0268 7.0268 7.0899 7.0899 12.7745 12.7745 13.7126 13.7126 16.6272 16.6272 16.8104 16.8104 k = 0.1884-0.1088 0.1538 ( 721 PWs) bands (ev): -6.1537 -6.1537 5.8020 5.8020 6.9457 6.9457 7.0101 7.0101 12.6708 12.6708 13.7451 13.7451 16.7558 16.7558 16.9374 16.9374 k = 0.1957-0.1130 0.1597 ( 721 PWs) bands (ev): -6.0874 -6.0874 5.6545 5.6545 6.8651 6.8651 6.9307 6.9307 12.5677 12.5677 13.7677 13.7677 16.8855 16.8855 17.0655 17.0655 k = 0.2029-0.1171 0.1657 ( 721 PWs) bands (ev): -6.0188 -6.0188 5.5058 5.5058 6.7850 6.7850 6.8518 6.8518 12.4655 12.4655 13.7801 13.7801 17.0162 17.0162 17.1946 17.1946 k = 0.2101-0.1213 0.1716 ( 721 PWs) bands (ev): -5.9478 -5.9478 5.3559 5.3559 6.7057 6.7057 6.7735 6.7735 12.3642 12.3642 13.7820 13.7820 17.1477 17.1477 17.3245 17.3245 k = 0.2174-0.1255 0.1775 ( 721 PWs) bands (ev): -5.8744 -5.8744 5.2049 5.2049 6.6272 6.6272 6.6961 6.6961 12.2641 12.2641 13.7736 13.7736 17.2799 17.2799 17.4551 17.4551 k = 0.2246-0.1297 0.1834 ( 721 PWs) bands (ev): -5.7987 -5.7987 5.0529 5.0529 6.5497 6.5497 6.6196 6.6196 12.1652 12.1652 13.7551 13.7551 17.4125 17.4125 17.5861 17.5861 k = 0.2319-0.1339 0.1893 ( 721 PWs) bands (ev): -5.7207 -5.7207 4.9000 4.9000 6.4732 6.4732 6.5441 6.5441 12.0677 12.0677 13.7269 13.7269 17.5455 17.5455 17.7176 17.7176 k = 0.2391-0.1381 0.1952 ( 717 PWs) bands (ev): -5.6403 -5.6403 4.7460 4.7460 6.3979 6.3979 6.4698 6.4698 11.9716 11.9716 13.6897 13.6897 17.6787 17.6787 17.8493 17.8493 k = 0.2464-0.1422 0.2012 ( 713 PWs) bands (ev): -5.5577 -5.5577 4.5913 4.5913 6.3239 6.3239 6.3967 6.3967 11.8772 11.8772 13.6444 13.6444 17.8120 17.8120 17.9811 17.9811 k = 0.2536-0.1464 0.2071 ( 713 PWs) bands (ev): -5.4728 -5.4728 4.4356 4.4356 6.2513 6.2513 6.3249 6.3249 11.7843 11.7843 13.5918 13.5918 17.9451 17.9451 18.1127 18.1127 k = 0.2609-0.1506 0.2130 ( 721 PWs) bands (ev): -5.3857 -5.3857 4.2792 4.2792 6.1800 6.1800 6.2544 6.2544 11.6933 11.6933 13.5328 13.5328 18.0780 18.0780 18.2441 18.2441 k = 0.2681-0.1548 0.2189 ( 721 PWs) bands (ev): -5.2964 -5.2964 4.1221 4.1221 6.1103 6.1103 6.1855 6.1855 11.6040 11.6040 13.4685 13.4685 18.2105 18.2105 18.3752 18.3752 k = 0.2754-0.1590 0.2248 ( 721 PWs) bands (ev): -5.2048 -5.2048 3.9643 3.9643 6.0421 6.0421 6.1181 6.1181 11.5167 11.5167 13.4000 13.4000 18.3425 18.3425 18.5059 18.5059 k = 0.2826-0.1632 0.2307 ( 721 PWs) bands (ev): -5.1112 -5.1112 3.8059 3.8059 5.9757 5.9757 6.0523 6.0523 11.4314 11.4314 13.3280 13.3280 18.4739 18.4739 18.6359 18.6359 k = 0.2899-0.1673 0.2367 ( 721 PWs) bands (ev): -5.0154 -5.0154 3.6470 3.6470 5.9109 5.9109 5.9882 5.9882 11.3481 11.3481 13.2535 13.2535 18.6045 18.6045 18.7652 18.7652 k = 0.2971-0.1715 0.2426 ( 721 PWs) bands (ev): -4.9175 -4.9175 3.4876 3.4876 5.8479 5.8479 5.9258 5.9258 11.2670 11.2670 13.1773 13.1773 18.7341 18.7341 18.8935 18.8935 k = 0.3043-0.1757 0.2485 ( 721 PWs) bands (ev): -4.8176 -4.8176 3.3278 3.3278 5.7867 5.7867 5.8653 5.8653 11.1881 11.1881 13.1002 13.1002 18.8627 18.8627 19.0208 19.0208 k = 0.3116-0.1799 0.2544 ( 717 PWs) bands (ev): -4.7157 -4.7157 3.1678 3.1678 5.7274 5.7274 5.8065 5.8065 11.1114 11.1114 13.0228 13.0228 18.9900 18.9900 19.1469 19.1469 k = 0.3188-0.1841 0.2603 ( 717 PWs) bands (ev): -4.6118 -4.6118 3.0074 3.0074 5.6700 5.6700 5.7497 5.7497 11.0371 11.0371 12.9456 12.9456 19.1159 19.1159 19.2716 19.2716 k = 0.3261-0.1883 0.2662 ( 717 PWs) bands (ev): -4.5061 -4.5061 2.8470 2.8470 5.6145 5.6145 5.6948 5.6948 10.9652 10.9652 12.8691 12.8691 19.2402 19.2402 19.3948 19.3948 k = 0.3333-0.1925 0.2722 ( 717 PWs) bands (ev): -4.3985 -4.3985 2.6865 2.6865 5.5611 5.5611 5.6418 5.6418 10.8957 10.8957 12.7940 12.7940 19.3627 19.3627 19.5161 19.5161 k = 0.3406-0.1966 0.2781 ( 717 PWs) bands (ev): -4.2892 -4.2892 2.5261 2.5261 5.5097 5.5097 5.5909 5.5909 10.8287 10.8287 12.7204 12.7204 19.4832 19.4832 19.6354 19.6354 k = 0.3478-0.2008 0.2840 ( 717 PWs) bands (ev): -4.1782 -4.1782 2.3658 2.3658 5.4604 5.4604 5.5420 5.5420 10.7643 10.7643 12.6488 12.6488 19.6014 19.6014 19.7498 19.7498 k = 0.3551-0.2050 0.2899 ( 717 PWs) bands (ev): -4.0655 -4.0655 2.2059 2.2059 5.4132 5.4132 5.4952 5.4952 10.7026 10.7026 12.5794 12.5794 19.7172 19.7172 19.8383 19.8383 k = 0.3623-0.2092 0.2958 ( 717 PWs) bands (ev): -3.9514 -3.9514 2.0465 2.0465 5.3681 5.3681 5.4505 5.4505 10.6435 10.6435 12.5125 12.5125 19.8302 19.8302 19.9233 19.9233 k = 0.3696-0.2134 0.3017 ( 717 PWs) bands (ev): -3.8359 -3.8359 1.8877 1.8877 5.3251 5.3251 5.4079 5.4079 10.5871 10.5871 12.4483 12.4483 19.9400 19.9400 20.0072 20.0072 k = 0.3768-0.2176 0.3077 ( 725 PWs) bands (ev): -3.7191 -3.7191 1.7295 1.7295 5.2844 5.2844 5.3675 5.3675 10.5335 10.5335 12.3869 12.3869 20.0461 20.0461 20.0897 20.0897 k = 0.3841-0.2217 0.3136 ( 721 PWs) bands (ev): -3.6013 -3.6013 1.5725 1.5725 5.2458 5.2458 5.3293 5.3293 10.4827 10.4827 12.3286 12.3286 20.1466 20.1466 20.1724 20.1724 k = 0.3913-0.2259 0.3195 ( 721 PWs) bands (ev): -3.4825 -3.4825 1.4167 1.4167 5.2095 5.2095 5.2933 5.2933 10.4347 10.4347 12.2734 12.2734 20.2360 20.2360 20.2598 20.2598 k = 0.3986-0.2301 0.3254 ( 717 PWs) bands (ev): -3.3631 -3.3631 1.2625 1.2625 5.1755 5.1755 5.2595 5.2595 10.3897 10.3897 12.2215 12.2215 20.3138 20.3138 20.3518 20.3518 k = 0.4058-0.2343 0.3313 ( 717 PWs) bands (ev): -3.2433 -3.2433 1.1101 1.1101 5.1437 5.1437 5.2280 5.2280 10.3476 10.3476 12.1729 12.1729 20.3858 20.3858 20.4419 20.4419 k = 0.4130-0.2385 0.3372 ( 725 PWs) bands (ev): -3.1235 -3.1235 0.9598 0.9598 5.1142 5.1142 5.1987 5.1987 10.3085 10.3085 12.1277 12.1277 20.4534 20.4534 20.5277 20.5277 k = 0.4203-0.2427 0.3432 ( 724 PWs) bands (ev): -3.0041 -3.0041 0.8123 0.8123 5.0870 5.0870 5.1717 5.1717 10.2724 10.2724 12.0860 12.0860 20.5168 20.5168 20.6087 20.6087 k = 0.4275-0.2468 0.3491 ( 724 PWs) bands (ev): -2.8857 -2.8857 0.6681 0.6681 5.0621 5.0621 5.1471 5.1471 10.2393 10.2393 12.0478 12.0478 20.5758 20.5758 20.6844 20.6844 k = 0.4348-0.2510 0.3550 ( 724 PWs) bands (ev): -2.7689 -2.7689 0.5279 0.5279 5.0396 5.0396 5.1247 5.1247 10.2093 10.2093 12.0132 12.0132 20.6301 20.6301 20.7542 20.7542 k = 0.4420-0.2552 0.3609 ( 724 PWs) bands (ev): -2.6547 -2.6547 0.3926 0.3926 5.0194 5.0194 5.1047 5.1047 10.1824 10.1824 11.9821 11.9821 20.6795 20.6795 20.8179 20.8179 k = 0.4493-0.2594 0.3668 ( 732 PWs) bands (ev): -2.5443 -2.5443 0.2635 0.2635 5.0015 5.0015 5.0869 5.0869 10.1586 10.1586 11.9546 11.9546 20.7237 20.7237 20.8749 20.8749 k = 0.4565-0.2636 0.3727 ( 732 PWs) bands (ev): -2.4393 -2.4393 0.1423 0.1423 4.9860 4.9860 5.0716 5.0716 10.1379 10.1379 11.9308 11.9308 20.7625 20.7625 20.9252 20.9252 k = 0.4638-0.2678 0.3787 ( 732 PWs) bands (ev): -2.3417 -2.3417 0.0310 0.0310 4.9729 4.9729 5.0585 5.0585 10.1204 10.1204 11.9106 11.9106 20.7958 20.7958 20.9683 20.9683 k = 0.4710-0.2719 0.3846 ( 732 PWs) bands (ev): -2.2543 -2.2543 -0.0677 -0.0677 4.9622 4.9622 5.0479 5.0479 10.1060 10.1060 11.8941 11.8941 20.8232 20.8232 21.0040 21.0040 k = 0.4783-0.2761 0.3905 ( 732 PWs) bands (ev): -2.1803 -2.1803 -0.1505 -0.1505 4.9538 4.9538 5.0396 5.0396 10.0948 10.0948 11.8812 11.8812 20.8447 20.8447 21.0319 21.0319 k = 0.4855-0.2803 0.3964 ( 740 PWs) bands (ev): -2.1233 -2.1233 -0.2138 -0.2138 4.9478 4.9478 5.0336 5.0336 10.0869 10.0869 11.8720 11.8720 20.8601 20.8601 21.0519 21.0519 k = 0.4928-0.2845 0.4023 ( 740 PWs) bands (ev): -2.0873 -2.0873 -0.2536 -0.2536 4.9442 4.9442 5.0301 5.0301 10.0821 10.0821 11.8665 11.8665 20.8695 20.8695 21.0640 21.0640 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -2.0749 -2.0749 -0.2672 -0.2672 4.9430 4.9430 5.0289 5.0289 10.0805 10.0805 11.8647 11.8647 20.8726 20.8726 21.0681 21.0681 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -2.0749 -2.0749 -0.2672 -0.2672 4.9430 4.9430 5.0289 5.0289 10.0805 10.0805 11.8647 11.8647 20.8726 20.8726 21.0681 21.0681 k = 0.5000-0.2804 0.4141 ( 732 PWs) bands (ev): -2.0753 -2.0737 -0.2666 -0.2665 4.9370 4.9426 5.0256 5.0257 10.0850 10.0884 11.8703 11.8705 20.8685 20.8692 21.0617 21.0694 k = 0.5000-0.2722 0.4199 ( 732 PWs) bands (ev): -2.0749 -2.0717 -0.2646 -0.2645 4.9244 4.9356 5.0156 5.0158 10.1020 10.1088 11.8873 11.8876 20.8570 20.8583 21.0478 21.0642 k = 0.5000-0.2639 0.4257 ( 732 PWs) bands (ev): -2.0737 -2.0689 -0.2612 -0.2611 4.9054 4.9222 4.9993 4.9994 10.1313 10.1413 11.9155 11.9160 20.8384 20.8403 21.0226 21.0489 k = 0.5000-0.2557 0.4316 ( 732 PWs) bands (ev): -2.0717 -2.0654 -0.2565 -0.2563 4.8803 4.9027 4.9768 4.9769 10.1725 10.1857 11.9547 11.9553 20.8131 20.8158 20.9832 21.0187 k = 0.5000-0.2474 0.4374 ( 728 PWs) bands (ev): -2.0690 -2.0611 -0.2505 -0.2503 4.8494 4.8774 4.9484 4.9489 10.2254 10.2416 12.0048 12.0055 20.7813 20.7849 20.9287 20.9717 k = 0.5000-0.2392 0.4432 ( 728 PWs) bands (ev): -2.0655 -2.0561 -0.2432 -0.2430 4.8131 4.8466 4.9144 4.9154 10.2894 10.3083 12.0651 12.0660 20.7429 20.7479 20.8602 20.9085 k = 0.5000-0.2309 0.4491 ( 724 PWs) bands (ev): -2.0613 -2.0503 -0.2346 -0.2344 4.7720 4.8109 4.8755 4.8772 10.3639 10.3853 12.1355 12.1366 20.6967 20.7048 20.7802 20.8315 k = 0.5000-0.2227 0.4549 ( 724 PWs) bands (ev): -2.0564 -2.0439 -0.2249 -0.2246 4.7264 4.7707 4.8322 4.8346 10.4484 10.4720 12.2155 12.2166 20.6372 20.6548 20.6955 20.7427 k = 0.5000-0.2144 0.4607 ( 724 PWs) bands (ev): -2.0509 -2.0368 -0.2140 -0.2136 4.6772 4.7265 4.7849 4.7881 10.5423 10.5678 12.3045 12.3058 20.5507 20.5944 20.6207 20.6468 k = 0.5000-0.2062 0.4666 ( 720 PWs) bands (ev): -2.0448 -2.0292 -0.2019 -0.2016 4.6248 4.6789 4.7343 4.7382 10.6448 10.6720 12.4020 12.4035 20.4398 20.5079 20.5542 20.5607 k = 0.5000-0.1979 0.4724 ( 720 PWs) bands (ev): -2.0381 -2.0210 -0.1889 -0.1884 4.5697 4.6283 4.6808 4.6855 10.7554 10.7839 12.5076 12.5092 20.3150 20.3919 20.4864 20.4884 k = 0.5000-0.1897 0.4782 ( 720 PWs) bands (ev): -2.0309 -2.0123 -0.1749 -0.1744 4.5127 4.5755 4.6251 4.6304 10.8733 10.9030 12.6208 12.6224 20.1802 20.2620 20.4141 20.4152 k = 0.5000-0.1815 0.4841 ( 724 PWs) bands (ev): -2.0233 -2.0032 -0.1599 -0.1594 4.4541 4.5208 4.5677 4.5734 10.9980 11.0287 12.7408 12.7426 20.0368 20.1226 20.3365 20.3373 k = 0.5000-0.1732 0.4899 ( 724 PWs) bands (ev): -2.0153 -1.9937 -0.1442 -0.1436 4.3947 4.4648 4.5091 4.5152 11.1289 11.1602 12.8673 12.8693 19.8862 19.9756 20.2533 20.2540 k = 0.5000-0.1650 0.4957 ( 724 PWs) bands (ev): -2.0069 -1.9838 -0.1277 -0.1271 4.3348 4.4079 4.4499 4.4560 11.2654 11.2971 12.9997 13.0018 19.7291 19.8219 20.1645 20.1651 k = 0.5000-0.1567 0.5016 ( 726 PWs) bands (ev): -1.9983 -1.9738 -0.1107 -0.1100 4.2749 4.3506 4.3905 4.3964 11.4068 11.4386 13.1374 13.1396 19.5663 19.6624 20.0700 20.0704 k = 0.5000-0.1485 0.5074 ( 726 PWs) bands (ev): -1.9895 -1.9635 -0.0931 -0.0924 4.2155 4.2932 4.3316 4.3369 11.5526 11.5844 13.2798 13.2821 19.3989 19.4980 19.9700 19.9702 k = 0.5000-0.1402 0.5132 ( 730 PWs) bands (ev): -1.9805 -1.9532 -0.0752 -0.0745 4.1570 4.2361 4.2735 4.2778 11.7023 11.7337 13.4264 13.4289 19.2274 19.3294 19.8644 19.8645 k = 0.5000-0.1320 0.5191 ( 726 PWs) bands (ev): -1.9715 -1.9428 -0.0570 -0.0562 4.0997 4.1796 4.2169 4.2197 11.8551 11.8860 13.5766 13.5792 19.0528 19.1577 19.7536 19.7537 k = 0.5000-0.1237 0.5249 ( 726 PWs) bands (ev): -1.9625 -1.9325 -0.0387 -0.0379 4.0440 4.1239 4.1622 4.1628 12.0106 12.0406 13.7297 13.7325 18.8759 18.9836 19.6379 19.6382 k = 0.5000-0.1155 0.5307 ( 720 PWs) bands (ev): -1.9536 -1.9224 -0.0205 -0.0196 3.9902 4.0695 4.1078 4.1097 12.1681 12.1970 13.8852 13.8882 18.6976 18.8081 19.5177 19.5182 k = 0.5000-0.1072 0.5366 ( 720 PWs) bands (ev): -1.9448 -1.9124 -0.0025 -0.0015 3.9385 4.0167 4.0547 4.0598 12.3267 12.3543 14.0423 14.0454 18.5186 18.6320 19.3935 19.3944 k = 0.5000-0.0990 0.5424 ( 718 PWs) bands (ev): -1.9364 -1.9028 0.0152 0.0162 3.8894 3.9659 4.0042 4.0126 12.4857 12.5117 14.2001 14.2034 18.3400 18.4564 19.2661 19.2673 k = 0.5000-0.0907 0.5482 ( 718 PWs) bands (ev): -1.9282 -1.8936 0.0323 0.0333 3.8430 3.9175 3.9564 3.9685 12.6442 12.6682 14.3578 14.3613 18.1628 18.2824 19.1363 19.1378 k = 0.5000-0.0825 0.5541 ( 718 PWs) bands (ev): -1.9205 -1.8848 0.0488 0.0498 3.7997 3.8719 3.9118 3.9275 12.8011 12.8228 14.5143 14.5180 17.9884 18.1113 19.0051 19.0069 k = 0.5000-0.0742 0.5599 ( 718 PWs) bands (ev): -1.9132 -1.8766 0.0643 0.0654 3.7595 3.8295 3.8705 3.8899 12.9551 12.9742 14.6683 14.6723 17.8180 17.9445 18.8736 18.8758 k = 0.5000-0.0660 0.5657 ( 726 PWs) bands (ev): -1.9066 -1.8691 0.0787 0.0798 3.7228 3.7905 3.8329 3.8558 13.1047 13.1208 14.8184 14.8227 17.6535 17.7838 18.7434 18.7460 k = 0.5000-0.0577 0.5715 ( 724 PWs) bands (ev): -1.9005 -1.8623 0.0920 0.0931 3.6899 3.7553 3.7992 3.8254 13.2481 13.2608 14.9629 14.9674 17.4967 17.6310 18.6164 18.6196 k = 0.5000-0.0495 0.5774 ( 720 PWs) bands (ev): -1.8951 -1.8562 0.1039 0.1050 3.6609 3.7243 3.7696 3.7988 13.3829 13.3919 15.0993 15.1041 17.3500 17.4887 18.4950 18.4986 k = 0.5000-0.0412 0.5832 ( 720 PWs) bands (ev): -1.8904 -1.8509 0.1142 0.1154 3.6359 3.6975 3.7443 3.7760 13.5063 13.5114 15.2248 15.2298 17.2164 17.3595 18.3819 18.3861 k = 0.5000-0.0330 0.5890 ( 720 PWs) bands (ev): -1.8865 -1.8465 0.1228 0.1241 3.6152 3.6754 3.7234 3.7573 13.6150 13.6163 15.3361 15.3414 17.0991 17.2466 18.2807 18.2854 k = 0.5000-0.0247 0.5949 ( 724 PWs) bands (ev): -1.8835 -1.8431 0.1297 0.1309 3.5989 3.6579 3.7070 3.7426 13.7029 13.7053 15.4293 15.4348 17.0018 17.1535 18.1953 18.2004 k = 0.5000-0.0165 0.6007 ( 724 PWs) bands (ev): -1.8812 -1.8406 0.1346 0.1359 3.5872 3.6454 3.6952 3.7320 13.7682 13.7735 15.5001 15.5057 16.9286 17.0838 18.1299 18.1355 k = 0.5000-0.0082 0.6065 ( 724 PWs) bands (ev): -1.8799 -1.8391 0.1377 0.1389 3.5802 3.6378 3.6881 3.7257 13.8087 13.8161 15.5446 15.5503 16.8830 17.0404 18.0887 18.0946 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -1.8795 -1.8386 0.1387 0.1399 3.5778 3.6352 3.6858 3.7236 13.8225 13.8306 15.5598 15.5655 16.8675 17.0257 18.0746 18.0806 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -1.8795 -1.8386 0.1387 0.1399 3.5778 3.6352 3.6858 3.7236 13.8225 13.8306 15.5598 15.5655 16.8675 17.0257 18.0746 18.0806 k = 0.4950 0.0087 0.6124 ( 724 PWs) bands (ev): -1.8816 -1.8408 0.1395 0.1407 3.5559 3.6249 3.6966 3.7542 13.8146 13.8223 15.5520 15.5576 16.8733 17.0307 18.0846 18.0951 k = 0.4900 0.0173 0.6124 ( 724 PWs) bands (ev): -1.8874 -1.8469 0.1414 0.1425 3.5163 3.5878 3.7455 3.8095 13.7901 13.7968 15.5299 15.5352 16.8931 17.0481 18.1159 18.1325 k = 0.4850 0.0260 0.6124 ( 724 PWs) bands (ev): -1.8965 -1.8563 0.1441 0.1449 3.4741 3.5457 3.8097 3.8746 13.7478 13.7531 15.4964 15.5016 16.9284 17.0800 18.1658 18.1874 k = 0.4800 0.0346 0.6124 ( 722 PWs) bands (ev): -1.9081 -1.8683 0.1469 0.1475 3.4324 3.5037 3.8828 3.9473 13.6869 13.6912 15.4556 15.4609 16.9793 17.1267 18.2309 18.2561 k = 0.4750 0.0433 0.6124 ( 723 PWs) bands (ev): -1.9218 -1.8825 0.1496 0.1500 3.3918 3.4628 3.9630 4.0265 13.6072 13.6121 15.4115 15.4170 17.0444 17.1876 18.3079 18.3355 k = 0.4700 0.0520 0.6124 ( 721 PWs) bands (ev): -1.9370 -1.8983 0.1518 0.1523 3.3528 3.4235 4.0493 4.1116 13.5098 13.5170 15.3676 15.3730 17.1220 17.2609 18.3940 18.4233 k = 0.4650 0.0606 0.6124 ( 721 PWs) bands (ev): -1.9533 -1.9153 0.1533 0.1540 3.3154 3.3859 4.1410 4.2019 13.3971 13.4071 15.3259 15.3312 17.2101 17.3451 18.4870 18.5172 k = 0.4600 0.0693 0.6124 ( 721 PWs) bands (ev): -1.9704 -1.9329 0.1542 0.1552 3.2797 3.3501 4.2372 4.2965 13.2718 13.2846 15.2877 15.2926 17.3072 17.4384 18.5849 18.6155 k = 0.4550 0.0779 0.6124 ( 721 PWs) bands (ev): -1.9878 -1.9510 0.1544 0.1557 3.2459 3.3160 4.3372 4.3946 13.1366 13.1520 15.2532 15.2579 17.4118 17.5395 18.6861 18.7166 k = 0.4500 0.0866 0.6124 ( 721 PWs) bands (ev): -2.0053 -1.9691 0.1539 0.1555 3.2139 3.2839 4.4401 4.4955 12.9942 13.0118 15.2225 15.2269 17.5227 17.6471 18.7890 18.8193 k = 0.4450 0.0953 0.6124 ( 721 PWs) bands (ev): -2.0226 -1.9871 0.1529 0.1548 3.1839 3.2538 4.5450 4.5983 12.8473 12.8668 15.1952 15.1995 17.6389 17.7602 18.8924 18.9222 k = 0.4400 0.1039 0.6124 ( 721 PWs) bands (ev): -2.0395 -2.0045 0.1513 0.1535 3.1558 3.2255 4.6509 4.7018 12.6985 12.7192 15.1710 15.1752 17.7595 17.8778 18.9951 19.0241 k = 0.4350 0.1126 0.6124 ( 718 PWs) bands (ev): -2.0558 -2.0214 0.1493 0.1518 3.1297 3.1993 4.7567 4.8052 12.5498 12.5714 15.1496 15.1538 17.8836 17.9990 19.0959 19.1239 k = 0.4300 0.1212 0.6124 ( 718 PWs) bands (ev): -2.0713 -2.0374 0.1470 0.1497 3.1055 3.1751 4.8615 4.9072 12.4037 12.4256 15.1306 15.1349 18.0106 18.1232 19.1936 19.2205 k = 0.4250 0.1299 0.6124 ( 716 PWs) bands (ev): -2.0859 -2.0524 0.1445 0.1474 3.0835 3.1529 4.9640 5.0068 12.2619 12.2838 15.1138 15.1182 18.1400 18.2497 19.2870 19.3127 k = 0.4200 0.1386 0.6124 ( 720 PWs) bands (ev): -2.0994 -2.0664 0.1418 0.1449 3.0634 3.1328 5.0629 5.1026 12.1265 12.1479 15.0989 15.1035 18.2709 18.3778 19.3751 19.3992 k = 0.4150 0.1472 0.6124 ( 720 PWs) bands (ev): -2.1117 -2.0791 0.1392 0.1425 3.0454 3.1148 5.1570 5.1933 11.9992 12.0197 15.0859 15.0906 18.4030 18.5069 19.4565 19.4788 k = 0.4100 0.1559 0.6124 ( 720 PWs) bands (ev): -2.1227 -2.0906 0.1366 0.1400 3.0296 3.0988 5.2450 5.2776 11.8818 11.9010 15.0746 15.0795 18.5358 18.6364 19.5298 19.5498 k = 0.4050 0.1645 0.6124 ( 723 PWs) bands (ev): -2.1325 -2.1006 0.1342 0.1378 3.0157 3.0850 5.3254 5.3540 11.7760 11.7935 15.0648 15.0699 18.6685 18.7657 19.5932 19.6103 k = 0.4000 0.1732 0.6124 ( 723 PWs) bands (ev): -2.1408 -2.1092 0.1320 0.1357 3.0040 3.0732 5.3968 5.4213 11.6835 11.6989 15.0567 15.0619 18.8006 18.8941 19.6438 19.6572 k = 0.3950 0.1819 0.6124 ( 721 PWs) bands (ev): -2.1477 -2.1164 0.1302 0.1339 2.9945 3.0636 5.4581 5.4780 11.6058 11.6187 15.0501 15.0554 18.9315 19.0204 19.6767 19.6857 k = 0.3900 0.1905 0.6124 ( 721 PWs) bands (ev): -2.1531 -2.1219 0.1287 0.1325 2.9870 3.0561 5.5077 5.5229 11.5441 11.5543 15.0450 15.0504 19.0599 19.1432 19.6807 19.6902 k = 0.3850 0.1992 0.6124 ( 721 PWs) bands (ev): -2.1570 -2.1259 0.1276 0.1314 2.9817 3.0508 5.5448 5.5551 11.4996 11.5070 15.0413 15.0469 19.1839 19.2595 19.6430 19.6652 k = 0.3800 0.2078 0.6124 ( 721 PWs) bands (ev): -2.1593 -2.1283 0.1269 0.1308 2.9785 3.0476 5.5684 5.5737 11.4730 11.4778 15.0391 15.0447 19.2984 19.3591 19.5773 19.6104 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.3699 0.2135 0.6040 ( 720 PWs) bands (ev): -2.1956 -2.1647 0.1628 0.1673 2.9311 3.0006 5.6248 5.6259 11.5302 11.5350 15.2103 15.2142 19.2591 19.2832 19.4328 19.4516 k = 0.3647 0.2106 0.5956 ( 720 PWs) bands (ev): -2.2367 -2.2059 0.2015 0.2068 2.8934 2.9632 5.6736 5.6746 11.5972 11.6033 15.3717 15.3739 19.1455 19.1698 19.3177 19.3389 k = 0.3596 0.2076 0.5872 ( 720 PWs) bands (ev): -2.2833 -2.2529 0.2431 0.2492 2.8645 2.9345 5.7238 5.7248 11.6654 11.6727 15.5207 15.5212 19.0312 19.0559 19.2007 19.2235 k = 0.3545 0.2046 0.5788 ( 720 PWs) bands (ev): -2.3356 -2.3057 0.2877 0.2947 2.8443 2.9144 5.7754 5.7763 11.7348 11.7434 15.6544 15.6557 18.9164 18.9416 19.0822 19.1059 k = 0.3493 0.2017 0.5704 ( 720 PWs) bands (ev): -2.3935 -2.3643 0.3355 0.3435 2.8328 2.9028 5.8283 5.8292 11.8055 11.8152 15.7723 15.7750 18.8012 18.8273 18.9628 18.9867 k = 0.3442 0.1987 0.5620 ( 716 PWs) bands (ev): -2.4568 -2.4284 0.3867 0.3958 2.8297 2.8996 5.8825 5.8834 11.8773 11.8883 15.8739 15.8779 18.6858 18.7132 18.8427 18.8664 k = 0.3390 0.1957 0.5537 ( 716 PWs) bands (ev): -2.5254 -2.4979 0.4414 0.4515 2.8348 2.9045 5.9379 5.9388 11.9504 11.9625 15.9586 15.9635 18.5705 18.5993 18.7224 18.7453 k = 0.3339 0.1928 0.5453 ( 716 PWs) bands (ev): -2.5989 -2.5724 0.4996 0.5108 2.8477 2.9172 5.9944 5.9953 12.0246 12.0378 16.0265 16.0320 18.4553 18.4859 18.6022 18.6239 k = 0.3288 0.1898 0.5369 ( 718 PWs) bands (ev): -2.6771 -2.6517 0.5614 0.5738 2.8682 2.9374 6.0521 6.0529 12.0999 12.1142 16.0782 16.0839 18.3403 18.3731 18.4824 18.5023 k = 0.3236 0.1868 0.5285 ( 718 PWs) bands (ev): -2.7595 -2.7352 0.6269 0.6404 2.8959 2.9648 6.1107 6.1115 12.1762 12.1917 16.1146 16.1202 18.2257 18.2610 18.3633 18.3809 k = 0.3185 0.1839 0.5201 ( 718 PWs) bands (ev): -2.8458 -2.8227 0.6959 0.7106 2.9305 2.9990 6.1702 6.1710 12.2535 12.2701 16.1371 16.1422 18.1115 18.1498 18.2451 18.2600 k = 0.3134 0.1809 0.5117 ( 718 PWs) bands (ev): -2.9355 -2.9136 0.7686 0.7845 2.9715 3.0397 6.2306 6.2314 12.3316 12.3492 16.1471 16.1514 17.9979 18.0396 18.1283 18.1399 k = 0.3082 0.1780 0.5033 ( 718 PWs) bands (ev): -3.0283 -3.0076 0.8449 0.8620 3.0186 3.0865 6.2917 6.2925 12.4104 12.4291 16.1461 16.1494 17.8848 17.9305 18.0130 18.0207 k = 0.3031 0.1750 0.4949 ( 718 PWs) bands (ev): -3.1238 -3.1042 0.9246 0.9429 3.0715 3.1391 6.3536 6.3543 12.4897 12.5095 16.1355 16.1378 17.7724 17.8225 17.8994 17.9029 k = 0.2979 0.1720 0.4865 ( 722 PWs) bands (ev): -3.2215 -3.2031 1.0079 1.0274 3.1298 3.1971 6.4159 6.4166 12.5693 12.5902 16.1169 16.1179 17.6608 17.7155 17.7866 17.7878 k = 0.2928 0.1691 0.4782 ( 728 PWs) bands (ev): -3.3212 -3.3039 1.0946 1.1152 3.1932 3.2603 6.4787 6.4795 12.6492 12.6711 16.0912 16.0915 17.5501 17.6095 17.6722 17.6782 k = 0.2877 0.1661 0.4698 ( 728 PWs) bands (ev): -3.4223 -3.4061 1.1846 1.2064 3.2615 3.3284 6.5421 6.5428 12.7290 12.7520 16.0589 16.0606 17.4408 17.5047 17.5603 17.5710 k = 0.2825 0.1631 0.4614 ( 728 PWs) bands (ev): -3.5247 -3.5095 1.2780 1.3009 3.3343 3.4010 6.6057 6.6064 12.8085 12.8325 16.0221 16.0252 17.3328 17.4007 17.4512 17.4661 k = 0.2774 0.1602 0.4530 ( 724 PWs) bands (ev): -3.6279 -3.6137 1.3746 1.3986 3.4114 3.4780 6.6695 6.6702 12.8874 12.9124 15.9818 15.9865 17.2265 17.2975 17.3453 17.3636 k = 0.2723 0.1572 0.4446 ( 724 PWs) bands (ev): -3.7317 -3.7185 1.4743 1.4994 3.4926 3.5590 6.7335 6.7341 12.9653 12.9912 15.9387 15.9449 17.1224 17.1952 17.2428 17.2635 k = 0.2671 0.1542 0.4362 ( 716 PWs) bands (ev): -3.8359 -3.8235 1.5771 1.6033 3.5776 3.6439 6.7974 6.7981 13.0420 13.0688 15.8935 15.9015 17.0206 17.0941 17.1438 17.1660 k = 0.2620 0.1513 0.4278 ( 720 PWs) bands (ev): -3.9401 -3.9287 1.6829 1.7101 3.6662 3.7324 6.8613 6.8619 13.1168 13.1446 15.8468 15.8566 16.9216 16.9948 17.0481 17.0708 k = 0.2568 0.1483 0.4194 ( 716 PWs) bands (ev): -4.0443 -4.0336 1.7918 1.8199 3.7582 3.8243 6.9249 6.9256 13.1895 13.2181 15.7993 15.8111 16.8259 16.8980 16.9553 16.9782 k = 0.2517 0.1453 0.4110 ( 716 PWs) bands (ev): -4.1480 -4.1381 1.9034 1.9326 3.8534 3.9195 6.9882 6.9889 13.2595 13.2888 15.7512 15.7651 16.7339 16.8043 16.8655 16.8882 k = 0.2466 0.1424 0.4027 ( 716 PWs) bands (ev): -4.2513 -4.2421 2.0179 2.0480 3.9517 4.0177 7.0511 7.0517 13.3263 13.3562 15.7028 15.7191 16.6462 16.7141 16.7787 16.8008 k = 0.2414 0.1394 0.3943 ( 722 PWs) bands (ev): -4.3539 -4.3454 2.1352 2.1661 4.0527 4.1188 7.1134 7.1140 13.3892 13.4196 15.6541 15.6732 16.5631 16.6278 16.6949 16.7163 k = 0.2363 0.1364 0.3859 ( 730 PWs) bands (ev): -4.4556 -4.4477 2.2551 2.2870 4.1565 4.2225 7.1750 7.1756 13.4477 13.4784 15.6054 15.6276 16.4851 16.5457 16.6147 16.6348 k = 0.2312 0.1335 0.3775 ( 730 PWs) bands (ev): -4.5563 -4.5490 2.3778 2.4104 4.2628 4.3288 7.2359 7.2366 13.5012 13.5321 15.5566 15.5822 16.4128 16.4678 16.5388 16.5571 k = 0.2260 0.1305 0.3691 ( 730 PWs) bands (ev): -4.6558 -4.6491 2.5030 2.5364 4.3714 4.4375 7.2960 7.2967 13.5491 13.5800 15.5074 15.5369 16.3458 16.3936 16.4685 16.4837 k = 0.2209 0.1275 0.3607 ( 730 PWs) bands (ev): -4.7541 -4.7479 2.6307 2.6649 4.4822 4.5484 7.3551 7.3558 13.5909 13.6216 15.4576 15.4914 16.2836 16.3220 16.4056 16.4163 k = 0.2158 0.1246 0.3523 ( 730 PWs) bands (ev): -4.8510 -4.8454 2.7609 2.7958 4.5951 4.6613 7.4132 7.4139 13.6261 13.6564 15.4069 15.4454 16.2244 16.2520 16.3517 16.3571 k = 0.2106 0.1216 0.3439 ( 728 PWs) bands (ev): -4.9465 -4.9413 2.8936 2.9292 4.7099 4.7762 7.4701 7.4708 13.6545 13.6842 15.3552 15.3985 16.1659 16.1828 16.3079 16.3087 k = 0.2055 0.1186 0.3355 ( 728 PWs) bands (ev): -5.0404 -5.0356 3.0285 3.0648 4.8265 4.8928 7.5257 7.5264 13.6758 13.7047 15.3024 15.3506 16.1062 16.1145 16.2729 16.2745 k = 0.2003 0.1157 0.3272 ( 728 PWs) bands (ev): -5.1326 -5.1282 3.1658 3.2026 4.9446 5.0109 7.5800 7.5807 13.6901 13.7179 15.2485 15.3014 16.0452 16.0472 16.2496 16.2510 k = 0.1952 0.1127 0.3188 ( 728 PWs) bands (ev): -5.2231 -5.2191 3.3053 3.3427 5.0641 5.1305 7.6329 7.6336 13.6974 13.7240 15.1939 15.2512 15.9812 15.9834 16.2365 16.2373 k = 0.1901 0.1097 0.3104 ( 728 PWs) bands (ev): -5.3119 -5.3082 3.4469 3.4849 5.1849 5.2513 7.6843 7.6850 13.6981 13.7234 15.1388 15.2002 15.9166 15.9217 16.2300 16.2340 k = 0.1849 0.1068 0.3020 ( 728 PWs) bands (ev): -5.3988 -5.3954 3.5906 3.6291 5.3067 5.3732 7.7341 7.7348 13.6925 13.7163 15.0838 15.1487 15.8535 15.8607 16.2299 16.2379 k = 0.1798 0.1038 0.2936 ( 728 PWs) bands (ev): -5.4837 -5.4807 3.7364 3.7754 5.4295 5.4959 7.7823 7.7830 13.6811 13.7033 15.0292 15.0971 15.7921 15.8007 16.2349 16.2469 k = 0.1747 0.1008 0.2852 ( 732 PWs) bands (ev): -5.5667 -5.5640 3.8841 3.9235 5.5530 5.6194 7.8287 7.8294 13.6643 13.6848 14.9756 15.0460 15.7322 15.7420 16.2430 16.2592 k = 0.1695 0.0979 0.2768 ( 732 PWs) bands (ev): -5.6477 -5.6452 4.0337 4.0735 5.6770 5.7433 7.8734 7.8742 13.6428 13.6616 14.9233 14.9959 15.6740 15.6847 16.2528 16.2730 k = 0.1644 0.0949 0.2684 ( 732 PWs) bands (ev): -5.7266 -5.7243 4.1851 4.2252 5.8013 5.8676 7.9164 7.9171 13.6171 13.6341 14.8728 14.9471 15.6175 15.6289 16.2625 16.2865 k = 0.1592 0.0919 0.2600 ( 732 PWs) bands (ev): -5.8034 -5.8013 4.3381 4.3786 5.9259 5.9920 7.9576 7.9583 13.5875 13.6027 14.8244 14.9001 15.5626 15.5747 16.2705 16.2982 k = 0.1541 0.0890 0.2517 ( 724 PWs) bands (ev): -5.8780 -5.8762 4.4929 4.5336 6.0503 6.1162 7.9970 7.9977 13.5547 13.5680 14.7784 14.8551 15.5093 15.5220 16.2753 16.3064 k = 0.1490 0.0860 0.2433 ( 720 PWs) bands (ev): -5.9504 -5.9488 4.6491 4.6900 6.1745 6.2402 8.0345 8.0353 13.5189 13.5304 14.7351 14.8125 15.4576 15.4708 16.2755 16.3097 k = 0.1438 0.0830 0.2349 ( 724 PWs) bands (ev): -6.0207 -6.0192 4.8067 4.8478 6.2981 6.3635 8.0701 8.0709 13.4804 13.4901 14.6947 14.7725 15.4075 15.4213 16.2697 16.3069 k = 0.1387 0.0801 0.2265 ( 724 PWs) bands (ev): -6.0887 -6.0874 4.9656 5.0068 6.4209 6.4859 8.1039 8.1048 13.4396 13.4474 14.6574 14.7353 15.3591 15.3733 16.2572 16.2969 k = 0.1336 0.0771 0.2181 ( 724 PWs) bands (ev): -6.1544 -6.1532 5.1256 5.1668 6.5427 6.6073 8.1359 8.1368 13.3967 13.4028 14.6233 14.7011 15.3122 15.3270 16.2369 16.2790 k = 0.1284 0.0741 0.2097 ( 724 PWs) bands (ev): -6.2178 -6.2167 5.2866 5.3279 6.6633 6.7273 8.1661 8.1670 13.3520 13.3562 14.5926 14.6701 15.2670 15.2822 16.2085 16.2525 k = 0.1233 0.0712 0.2013 ( 719 PWs) bands (ev): -6.2789 -6.2780 5.4486 5.4898 6.7824 6.8458 8.1946 8.1955 13.3054 13.3080 14.5652 14.6422 15.2234 15.2391 16.1716 16.2172 k = 0.1182 0.0682 0.1929 ( 719 PWs) bands (ev): -6.3376 -6.3368 5.6111 5.6523 6.8996 6.9622 8.2213 8.2222 13.2572 13.2581 14.5413 14.6176 15.1814 15.1976 16.1263 16.1731 k = 0.1130 0.0652 0.1846 ( 719 PWs) bands (ev): -6.3939 -6.3932 5.7742 5.8151 7.0146 7.0764 8.2462 8.2471 13.2068 13.2075 14.5209 14.5964 15.1411 15.1578 16.0727 16.1204 k = 0.1079 0.0623 0.1762 ( 719 PWs) bands (ev): -6.4479 -6.4473 5.9375 5.9782 7.1273 7.1882 8.2695 8.2705 13.1541 13.1561 14.5040 14.5784 15.1025 15.1197 16.0114 16.0596 k = 0.1027 0.0593 0.1678 ( 715 PWs) bands (ev): -6.4994 -6.4989 6.1008 6.1413 7.2374 7.2971 8.2912 8.2922 13.1000 13.1033 14.4906 14.5637 15.0656 15.0834 15.9433 15.9915 k = 0.0976 0.0564 0.1594 ( 715 PWs) bands (ev): -6.5485 -6.5481 6.2639 6.3039 7.3444 7.4028 8.3114 8.3124 13.0444 13.0489 14.4804 14.5520 15.0305 15.0488 15.8691 15.9170 k = 0.0925 0.0534 0.1510 ( 719 PWs) bands (ev): -6.5952 -6.5949 6.4264 6.4660 7.4481 7.5052 8.3300 8.3311 12.9875 12.9928 14.4733 14.5433 14.9972 15.0160 15.7900 15.8371 k = 0.0873 0.0504 0.1426 ( 719 PWs) bands (ev): -6.6395 -6.6392 6.5880 6.6270 7.5483 7.6038 8.3472 8.3483 12.9291 12.9352 14.4692 14.5372 14.9658 14.9852 15.7073 15.7532 k = 0.0822 0.0475 0.1342 ( 719 PWs) bands (ev): -6.6812 -6.6810 6.7483 6.7866 7.6446 7.6983 8.3631 8.3642 12.8693 12.8759 14.4679 14.5336 14.9365 14.9563 15.6222 15.6665 k = 0.0771 0.0445 0.1258 ( 721 PWs) bands (ev): -6.7205 -6.7203 6.9068 6.9444 7.7368 7.7885 8.3776 8.3788 12.8080 12.8149 14.4689 14.5320 14.9093 14.9295 15.5361 15.5782 k = 0.0719 0.0415 0.1174 ( 721 PWs) bands (ev): -6.7573 -6.7572 7.0631 7.0997 7.8245 7.8742 8.3908 8.3921 12.7453 12.7523 14.4719 14.5319 14.8845 14.9048 15.4503 15.4899 k = 0.0668 0.0386 0.1091 ( 721 PWs) bands (ev): -6.7916 -6.7915 7.2164 7.2520 7.9075 7.9549 8.4029 8.4043 12.6814 12.6882 14.4763 14.5327 14.8623 14.8824 15.3663 15.4028 k = 0.0616 0.0356 0.1007 ( 729 PWs) bands (ev): -6.8234 -6.8233 7.3661 7.4005 7.9855 8.0304 8.4139 8.4153 12.6164 12.6228 14.4815 14.5337 14.8429 14.8625 15.2851 15.3181 k = 0.0565 0.0326 0.0923 ( 725 PWs) bands (ev): -6.8527 -6.8526 7.5115 7.5445 8.0584 8.1007 8.4239 8.4254 12.5506 12.5566 14.4871 14.5341 14.8267 14.8453 15.2082 15.2374 k = 0.0514 0.0297 0.0839 ( 725 PWs) bands (ev): -6.8795 -6.8794 7.6516 7.6829 8.1258 8.1653 8.4328 8.4344 12.4846 12.4898 14.4921 14.5332 14.8139 14.8309 15.1367 15.1617 k = 0.0462 0.0267 0.0755 ( 725 PWs) bands (ev): -6.9037 -6.9037 7.7852 7.8147 8.1875 8.2241 8.4407 8.4425 12.4190 12.4234 14.4958 14.5303 14.8048 14.8195 15.0715 15.0921 k = 0.0411 0.0237 0.0671 ( 727 PWs) bands (ev): -6.9254 -6.9254 7.9111 7.9386 8.2434 8.2769 8.4479 8.4498 12.3545 12.3581 14.4976 14.5250 14.7992 14.8111 15.0133 15.0295 k = 0.0360 0.0208 0.0587 ( 725 PWs) bands (ev): -6.9446 -6.9445 8.0281 8.0533 8.2933 8.3235 8.4543 8.4564 12.2924 12.2951 14.4971 14.5175 14.7967 14.8057 14.9627 14.9746 k = 0.0308 0.0178 0.0503 ( 725 PWs) bands (ev): -6.9612 -6.9612 8.1343 8.1568 8.3371 8.3639 8.4602 8.4624 12.2339 12.2358 14.4942 14.5081 14.7969 14.8031 14.9198 14.9279 k = 0.0257 0.0148 0.0419 ( 725 PWs) bands (ev): -6.9752 -6.9752 8.2280 8.2475 8.3749 8.3979 8.4657 8.4679 12.1804 12.1816 14.4892 14.4977 14.7988 14.8026 14.8846 14.8895 k = 0.0205 0.0119 0.0336 ( 725 PWs) bands (ev): -6.9867 -6.9867 8.3071 8.3228 8.4071 8.4255 8.4712 8.4732 12.1335 12.1342 14.4829 14.4874 14.8016 14.8036 14.8566 14.8593 k = 0.0154 0.0089 0.0252 ( 725 PWs) bands (ev): -6.9957 -6.9957 8.3686 8.3791 8.4354 8.4477 8.4770 8.4785 12.0949 12.0952 14.4763 14.4783 14.8045 14.8054 14.8355 14.8367 k = 0.0103 0.0059 0.0168 ( 725 PWs) bands (ev): -7.0021 -7.0021 8.4090 8.4130 8.4618 8.4666 8.4830 8.4836 12.0660 12.0661 14.4705 14.4711 14.8070 14.8073 14.8208 14.8212 k = 0.0051 0.0030 0.0084 ( 725 PWs) bands (ev): -7.0059 -7.0059 8.4283 8.4287 8.4819 8.4825 8.4875 8.4876 12.0481 12.0481 14.4666 14.4666 14.8086 14.8087 14.8121 14.8121 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -7.0072 -7.0072 8.4333 8.4333 8.4892 8.4892 8.4892 8.4892 12.0420 12.0420 14.4651 14.4651 14.8092 14.8092 14.8092 14.8092 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -7.0072 -7.0072 8.4333 8.4333 8.4892 8.4892 8.4892 8.4892 12.0420 12.0420 14.4651 14.4651 14.8092 14.8092 14.8092 14.8092 k = 0.0083 0.0048 0.0034 ( 725 PWs) bands (ev): -7.0059 -7.0059 8.4285 8.4285 8.4821 8.4821 8.4879 8.4879 12.0480 12.0480 14.4666 14.4666 14.8095 14.8095 14.8112 14.8112 k = 0.0167 0.0096 0.0068 ( 725 PWs) bands (ev): -7.0022 -7.0022 8.4097 8.4097 8.4655 8.4655 8.4840 8.4840 12.0657 12.0657 14.4710 14.4710 14.8105 14.8105 14.8173 14.8173 k = 0.0250 0.0144 0.0102 ( 725 PWs) bands (ev): -6.9958 -6.9958 8.3678 8.3678 8.4495 8.4495 8.4775 8.4775 12.0941 12.0941 14.4782 14.4782 14.8124 14.8124 14.8275 14.8275 k = 0.0333 0.0192 0.0136 ( 725 PWs) bands (ev): -6.9870 -6.9870 8.3021 8.3021 8.4359 8.4359 8.4685 8.4685 12.1318 12.1318 14.4881 14.4881 14.8156 14.8156 14.8415 14.8415 k = 0.0417 0.0241 0.0170 ( 725 PWs) bands (ev): -6.9756 -6.9756 8.2170 8.2170 8.4220 8.4220 8.4571 8.4571 12.1771 12.1771 14.5006 14.5006 14.8208 14.8208 14.8593 14.8593 k = 0.0500 0.0289 0.0204 ( 725 PWs) bands (ev): -6.9618 -6.9618 8.1155 8.1155 8.4066 8.4066 8.4433 8.4433 12.2280 12.2280 14.5158 14.5158 14.8284 14.8284 14.8808 14.8808 k = 0.0583 0.0337 0.0238 ( 725 PWs) bands (ev): -6.9454 -6.9454 7.9997 7.9997 8.3892 8.3892 8.4271 8.4271 12.2825 12.2825 14.5335 14.5335 14.8391 14.8391 14.9057 14.9057 k = 0.0667 0.0385 0.0272 ( 725 PWs) bands (ev): -6.9265 -6.9265 7.8714 7.8714 8.3698 8.3698 8.4088 8.4088 12.3384 12.3384 14.5539 14.5539 14.8535 14.8535 14.9338 14.9338 k = 0.0750 0.0433 0.0306 ( 725 PWs) bands (ev): -6.9051 -6.9051 7.7324 7.7324 8.3484 8.3484 8.3885 8.3885 12.3940 12.3940 14.5775 14.5775 14.8718 14.8718 14.9649 14.9649 k = 0.0833 0.0481 0.0340 ( 728 PWs) bands (ev): -6.8812 -6.8812 7.5838 7.5838 8.3249 8.3249 8.3661 8.3661 12.4473 12.4473 14.6046 14.6046 14.8943 14.8943 14.9986 14.9986 k = 0.0917 0.0529 0.0374 ( 728 PWs) bands (ev): -6.8547 -6.8547 7.4272 7.4272 8.2998 8.2998 8.3420 8.3420 12.4969 12.4969 14.6358 14.6358 14.9210 14.9210 15.0348 15.0348 k = 0.1000 0.0577 0.0408 ( 728 PWs) bands (ev): -6.8259 -6.8259 7.2636 7.2636 8.2729 8.2729 8.3162 8.3162 12.5414 12.5414 14.6718 14.6718 14.9516 14.9516 15.0730 15.0730 k = 0.1083 0.0625 0.0442 ( 724 PWs) bands (ev): -6.7945 -6.7945 7.0939 7.0939 8.2445 8.2445 8.2889 8.2889 12.5798 12.5798 14.7130 14.7130 14.9860 14.9860 15.1130 15.1130 k = 0.1167 0.0674 0.0476 ( 724 PWs) bands (ev): -6.7606 -6.7606 6.9190 6.9190 8.2147 8.2147 8.2602 8.2602 12.6114 12.6114 14.7598 14.7598 15.0239 15.0239 15.1543 15.1543 k = 0.1250 0.0722 0.0510 ( 718 PWs) bands (ev): -6.7243 -6.7243 6.7396 6.7396 8.1836 8.1836 8.2302 8.2302 12.6358 12.6358 14.8123 14.8123 15.0650 15.0650 15.1966 15.1966 k = 0.1333 0.0770 0.0544 ( 718 PWs) bands (ev): -6.6856 -6.6856 6.5562 6.5562 8.1514 8.1514 8.1992 8.1992 12.6530 12.6530 14.8697 14.8697 15.1091 15.1091 15.2395 15.2395 k = 0.1417 0.0818 0.0578 ( 712 PWs) bands (ev): -6.6444 -6.6444 6.3697 6.3697 8.1184 8.1184 8.1672 8.1672 12.6632 12.6632 14.9314 14.9314 15.1565 15.1565 15.2826 15.2826 k = 0.1500 0.0866 0.0612 ( 712 PWs) bands (ev): -6.6008 -6.6008 6.1803 6.1803 8.0844 8.0844 8.1344 8.1344 12.6668 12.6668 14.9959 14.9959 15.2076 15.2076 15.3255 15.3255 k = 0.1583 0.0914 0.0646 ( 712 PWs) bands (ev): -6.5548 -6.5548 5.9886 5.9886 8.0498 8.0498 8.1009 8.1009 12.6644 12.6644 15.0612 15.0612 15.2632 15.2632 15.3677 15.3677 k = 0.1667 0.0962 0.0680 ( 718 PWs) bands (ev): -6.5064 -6.5064 5.7950 5.7950 8.0146 8.0146 8.0668 8.0668 12.6565 12.6565 15.1248 15.1248 15.3248 15.3248 15.4090 15.4090 k = 0.1750 0.1010 0.0714 ( 718 PWs) bands (ev): -6.4556 -6.4556 5.6000 5.6000 7.9790 7.9790 8.0323 8.0323 12.6440 12.6440 15.1844 15.1844 15.3936 15.3936 15.4489 15.4489 k = 0.1833 0.1058 0.0748 ( 718 PWs) bands (ev): -6.4024 -6.4024 5.4037 5.4037 7.9431 7.9431 7.9975 7.9975 12.6275 12.6275 15.2387 15.2387 15.4697 15.4697 15.4871 15.4871 k = 0.1917 0.1107 0.0782 ( 718 PWs) bands (ev): -6.3470 -6.3470 5.2066 5.2066 7.9071 7.9071 7.9625 7.9625 12.6077 12.6077 15.2872 15.2872 15.5232 15.5232 15.5524 15.5524 k = 0.2000 0.1155 0.0816 ( 718 PWs) bands (ev): -6.2892 -6.2892 5.0089 5.0089 7.8710 7.8710 7.9275 7.9275 12.5850 12.5850 15.3306 15.3306 15.5570 15.5570 15.6404 15.6404 k = 0.2083 0.1203 0.0851 ( 718 PWs) bands (ev): -6.2292 -6.2292 4.8108 4.8108 7.8349 7.8349 7.8925 7.8925 12.5602 12.5602 15.3692 15.3692 15.5881 15.5881 15.7320 15.7320 k = 0.2167 0.1251 0.0885 ( 724 PWs) bands (ev): -6.1669 -6.1669 4.6126 4.6126 7.7990 7.7990 7.8576 7.8576 12.5335 12.5335 15.4036 15.4036 15.6164 15.6164 15.8259 15.8259 k = 0.2250 0.1299 0.0919 ( 724 PWs) bands (ev): -6.1023 -6.1023 4.4147 4.4147 7.7634 7.7634 7.8230 7.8230 12.5055 12.5055 15.4340 15.4340 15.6416 15.6416 15.9212 15.9212 k = 0.2333 0.1347 0.0953 ( 727 PWs) bands (ev): -6.0357 -6.0357 4.2172 4.2172 7.7281 7.7281 7.7886 7.7886 12.4766 12.4766 15.4606 15.4606 15.6637 15.6637 16.0169 16.0169 k = 0.2417 0.1395 0.0987 ( 727 PWs) bands (ev): -5.9668 -5.9668 4.0203 4.0203 7.6932 7.6932 7.7547 7.7547 12.4471 12.4471 15.4836 15.4836 15.6826 15.6826 16.1125 16.1125 k = 0.2500 0.1443 0.1021 ( 721 PWs) bands (ev): -5.8959 -5.8959 3.8242 3.8242 7.6589 7.6589 7.7212 7.7212 12.4171 12.4171 15.5030 15.5030 15.6981 15.6981 16.2076 16.2076 k = 0.2583 0.1491 0.1055 ( 727 PWs) bands (ev): -5.8229 -5.8229 3.6290 3.6290 7.6250 7.6250 7.6882 7.6882 12.3870 12.3870 15.5189 15.5189 15.7104 15.7104 16.3010 16.3010 k = 0.2667 0.1540 0.1089 ( 727 PWs) bands (ev): -5.7479 -5.7479 3.4351 3.4351 7.5919 7.5919 7.6559 7.6559 12.3571 12.3571 15.5315 15.5315 15.7196 15.7196 16.3926 16.3926 k = 0.2750 0.1588 0.1123 ( 727 PWs) bands (ev): -5.6711 -5.6711 3.2425 3.2425 7.5595 7.5595 7.6243 7.6243 12.3273 12.3273 15.5410 15.5410 15.7257 15.7257 16.4819 16.4819 k = 0.2833 0.1636 0.1157 ( 727 PWs) bands (ev): -5.5923 -5.5923 3.0515 3.0515 7.5278 7.5278 7.5935 7.5935 12.2980 12.2980 15.5474 15.5474 15.7288 15.7288 16.5686 16.5686 k = 0.2917 0.1684 0.1191 ( 736 PWs) bands (ev): -5.5118 -5.5118 2.8621 2.8621 7.4970 7.4970 7.5633 7.5633 12.2692 12.2692 15.5509 15.5509 15.7292 15.7292 16.6523 16.6523 k = 0.3000 0.1732 0.1225 ( 736 PWs) bands (ev): -5.4296 -5.4296 2.6748 2.6748 7.4670 7.4670 7.5341 7.5341 12.2411 12.2411 15.5519 15.5519 15.7272 15.7272 16.7327 16.7327 k = 0.3083 0.1780 0.1259 ( 742 PWs) bands (ev): -5.3459 -5.3459 2.4895 2.4895 7.4379 7.4379 7.5057 7.5057 12.2137 12.2137 15.5504 15.5504 15.7228 15.7228 16.8095 16.8095 k = 0.3167 0.1828 0.1293 ( 742 PWs) bands (ev): -5.2607 -5.2607 2.3066 2.3066 7.4099 7.4099 7.4783 7.4783 12.1871 12.1871 15.5468 15.5468 15.7164 15.7164 16.8825 16.8825 k = 0.3250 0.1876 0.1327 ( 745 PWs) bands (ev): -5.1741 -5.1741 2.1262 2.1262 7.3829 7.3829 7.4519 7.4519 12.1614 12.1614 15.5413 15.5413 15.7082 15.7082 16.9515 16.9515 k = 0.3333 0.1925 0.1361 ( 745 PWs) bands (ev): -5.0864 -5.0864 1.9487 1.9487 7.3569 7.3569 7.4265 7.4265 12.1367 12.1367 15.5342 15.5342 15.6985 15.6985 17.0164 17.0164 k = 0.3417 0.1973 0.1395 ( 745 PWs) bands (ev): -4.9977 -4.9977 1.7741 1.7741 7.3320 7.3320 7.4022 7.4022 12.1130 12.1130 15.5257 15.5257 15.6875 15.6875 17.0770 17.0770 k = 0.3500 0.2021 0.1429 ( 742 PWs) bands (ev): -4.9082 -4.9082 1.6028 1.6028 7.3082 7.3082 7.3790 7.3790 12.0904 12.0904 15.5160 15.5160 15.6754 15.6754 17.1334 17.1334 k = 0.3583 0.2069 0.1463 ( 742 PWs) bands (ev): -4.8181 -4.8181 1.4351 1.4351 7.2856 7.2856 7.3568 7.3568 12.0688 12.0688 15.5054 15.5054 15.6627 15.6627 17.1854 17.1854 k = 0.3667 0.2117 0.1497 ( 736 PWs) bands (ev): -4.7277 -4.7277 1.2712 1.2712 7.2642 7.2642 7.3359 7.3359 12.0484 12.0484 15.4942 15.4942 15.6494 15.6494 17.2333 17.2333 k = 0.3750 0.2165 0.1531 ( 736 PWs) bands (ev): -4.6374 -4.6374 1.1116 1.1116 7.2439 7.2439 7.3161 7.3161 12.0291 12.0291 15.4825 15.4825 15.6357 15.6357 17.2768 17.2768 k = 0.3833 0.2213 0.1565 ( 739 PWs) bands (ev): -4.5474 -4.5474 0.9567 0.9567 7.2248 7.2248 7.2974 7.2974 12.0110 12.0110 15.4706 15.4706 15.6220 15.6220 17.3163 17.3163 k = 0.3917 0.2261 0.1599 ( 739 PWs) bands (ev): -4.4583 -4.4583 0.8069 0.8069 7.2069 7.2069 7.2799 7.2799 11.9940 11.9940 15.4587 15.4587 15.6084 15.6084 17.3518 17.3518 k = 0.4000 0.2309 0.1633 ( 739 PWs) bands (ev): -4.3704 -4.3704 0.6627 0.6627 7.1904 7.1904 7.2637 7.2637 11.9783 11.9783 15.4469 15.4469 15.5951 15.5951 17.3836 17.3836 k = 0.4083 0.2358 0.1667 ( 739 PWs) bands (ev): -4.2845 -4.2845 0.5248 0.5248 7.1751 7.1751 7.2488 7.2488 11.9638 11.9638 15.4354 15.4354 15.5822 15.5822 17.4119 17.4119 k = 0.4167 0.2406 0.1701 ( 730 PWs) bands (ev): -4.2010 -4.2010 0.3938 0.3938 7.1611 7.1611 7.2351 7.2351 11.9506 11.9506 15.4245 15.4245 15.5700 15.5700 17.4368 17.4368 k = 0.4250 0.2454 0.1735 ( 730 PWs) bands (ev): -4.1208 -4.1208 0.2705 0.2705 7.1484 7.1484 7.2226 7.2226 11.9386 11.9386 15.4142 15.4142 15.5585 15.5585 17.4586 17.4586 k = 0.4333 0.2502 0.1769 ( 724 PWs) bands (ev): -4.0447 -4.0447 0.1558 0.1558 7.1370 7.1370 7.2115 7.2115 11.9278 11.9278 15.4046 15.4046 15.5479 15.5479 17.4774 17.4774 k = 0.4417 0.2550 0.1803 ( 724 PWs) bands (ev): -3.9737 -3.9737 0.0507 0.0507 7.1270 7.1270 7.2017 7.2017 11.9183 11.9183 15.3959 15.3959 15.5383 15.5383 17.4934 17.4934 k = 0.4500 0.2598 0.1837 ( 724 PWs) bands (ev): -3.9088 -3.9088 -0.0437 -0.0437 7.1182 7.1182 7.1931 7.1931 11.9100 11.9100 15.3881 15.3881 15.5297 15.5297 17.5069 17.5069 k = 0.4583 0.2646 0.1871 ( 724 PWs) bands (ev): -3.8512 -3.8512 -0.1264 -0.1264 7.1108 7.1108 7.1858 7.1858 11.9030 11.9030 15.3814 15.3814 15.5224 15.5224 17.5180 17.5180 k = 0.4667 0.2694 0.1905 ( 724 PWs) bands (ev): -3.8020 -3.8020 -0.1962 -0.1962 7.1047 7.1047 7.1799 7.1799 11.8973 11.8973 15.3758 15.3758 15.5162 15.5162 17.5269 17.5269 k = 0.4750 0.2742 0.1939 ( 718 PWs) bands (ev): -3.7622 -3.7622 -0.2519 -0.2519 7.1000 7.1000 7.1753 7.1753 11.8929 11.8929 15.3715 15.3715 15.5114 15.5114 17.5338 17.5338 k = 0.4833 0.2791 0.1973 ( 718 PWs) bands (ev): -3.7330 -3.7330 -0.2925 -0.2925 7.0966 7.0966 7.1719 7.1719 11.8897 11.8897 15.3683 15.3683 15.5080 15.5080 17.5385 17.5385 k = 0.4917 0.2839 0.2007 ( 718 PWs) bands (ev): -3.7152 -3.7152 -0.3172 -0.3172 7.0946 7.0946 7.1700 7.1700 11.8878 11.8878 15.3664 15.3664 15.5059 15.5059 17.5414 17.5414 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -3.7092 -3.7092 -0.3255 -0.3255 7.0939 7.0939 7.1693 7.1693 11.8871 11.8871 15.3657 15.3657 15.5052 15.5052 17.5423 17.5423 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -3.7092 -3.7092 -0.3255 -0.3255 7.0939 7.0939 7.1693 7.1693 11.8871 11.8871 15.3657 15.3657 15.5052 15.5052 17.5423 17.5423 k = 0.5030 0.2801 0.2090 ( 718 PWs) bands (ev): -3.7084 -3.7076 -0.3246 -0.3244 7.0867 7.0900 7.1640 7.1641 11.8935 11.8956 15.3617 15.3658 15.5032 15.5034 17.5459 17.5519 k = 0.5060 0.2715 0.2138 ( 718 PWs) bands (ev): -3.7052 -3.7037 -0.3218 -0.3213 7.0665 7.0738 7.1497 7.1506 11.9145 11.9186 15.3506 15.3594 15.5004 15.5016 17.5624 17.5742 k = 0.5089 0.2629 0.2187 ( 724 PWs) bands (ev): -3.6998 -3.6975 -0.3170 -0.3163 7.0297 7.0411 7.1308 7.1328 11.9494 11.9554 15.3266 15.3401 15.5044 15.5070 17.5905 17.6076 k = 0.5119 0.2543 0.2236 ( 728 PWs) bands (ev): -3.6920 -3.6889 -0.3103 -0.3093 6.9749 6.9898 7.1109 7.1134 11.9972 12.0048 15.2871 15.3041 15.5211 15.5246 17.6281 17.6499 k = 0.5149 0.2457 0.2284 ( 728 PWs) bands (ev): -3.6818 -3.6780 -0.3016 -0.3004 6.9033 6.9211 7.0899 7.0925 12.0562 12.0653 15.2345 15.2537 15.5506 15.5541 17.6729 17.6988 k = 0.5179 0.2371 0.2333 ( 727 PWs) bands (ev): -3.6693 -3.6648 -0.2911 -0.2896 6.8171 6.8373 7.0669 7.0694 12.1248 12.1350 15.1731 15.1936 15.5908 15.5941 17.7224 17.7518 k = 0.5208 0.2285 0.2381 ( 727 PWs) bands (ev): -3.6545 -3.6493 -0.2786 -0.2769 6.7180 6.7404 7.0414 7.0437 12.2009 12.2119 15.1065 15.1277 15.6402 15.6433 17.7743 17.8067 k = 0.5238 0.2199 0.2430 ( 725 PWs) bands (ev): -3.6374 -3.6314 -0.2643 -0.2624 6.6079 6.6322 7.0132 7.0153 12.2822 12.2938 15.0382 15.0595 15.6979 15.7009 17.8266 17.8613 k = 0.5268 0.2114 0.2479 ( 725 PWs) bands (ev): -3.6181 -3.6112 -0.2482 -0.2461 6.4881 6.5144 6.9822 6.9841 12.3663 12.3780 14.9712 14.9921 15.7633 15.7661 17.8772 17.9140 k = 0.5298 0.2028 0.2527 ( 725 PWs) bands (ev): -3.5964 -3.5888 -0.2303 -0.2280 6.3603 6.3883 6.9485 6.9503 12.4505 12.4619 14.9084 14.9285 15.8359 15.8385 17.9250 17.9633 k = 0.5327 0.1942 0.2576 ( 725 PWs) bands (ev): -3.5724 -3.5641 -0.2107 -0.2083 6.2255 6.2551 6.9123 6.9140 12.5319 12.5425 14.8527 14.8717 15.9153 15.9178 17.9685 18.0082 k = 0.5357 0.1856 0.2624 ( 724 PWs) bands (ev): -3.5462 -3.5372 -0.1895 -0.1870 6.0848 6.1161 6.8739 6.8755 12.6074 12.6168 14.8073 14.8246 16.0011 16.0035 18.0071 18.0478 k = 0.5387 0.1770 0.2673 ( 724 PWs) bands (ev): -3.5178 -3.5080 -0.1667 -0.1641 5.9395 5.9722 6.8333 6.8348 12.6738 12.6816 14.7749 14.7902 16.0928 16.0952 18.0402 18.0816 k = 0.5417 0.1684 0.2722 ( 730 PWs) bands (ev): -3.4872 -3.4766 -0.1425 -0.1398 5.7902 5.8244 6.7908 6.7922 12.7281 12.7339 14.7583 14.7712 16.1901 16.1925 18.0672 18.1094 k = 0.5446 0.1598 0.2770 ( 728 PWs) bands (ev): -3.4544 -3.4431 -0.1169 -0.1142 5.6380 5.6736 6.7467 6.7481 12.7679 12.7712 14.7596 14.7698 16.2927 16.2951 18.0884 18.1310 k = 0.5476 0.1512 0.2819 ( 724 PWs) bands (ev): -3.4195 -3.4073 -0.0900 -0.0873 5.4836 5.5205 6.7012 6.7025 12.7913 12.7921 14.7798 14.7872 16.4002 16.4026 18.1037 18.1469 k = 0.5506 0.1426 0.2867 ( 726 PWs) bands (ev): -3.3825 -3.3695 -0.0621 -0.0594 5.3275 5.3659 6.6544 6.6556 12.7962 12.7979 14.8185 14.8233 16.5121 16.5147 18.1135 18.1570 k = 0.5536 0.1340 0.2916 ( 724 PWs) bands (ev): -3.3433 -3.3296 -0.0331 -0.0306 5.1707 5.2104 6.6066 6.6078 12.7845 12.7886 14.8743 14.8769 16.6281 16.6308 18.1183 18.1622 k = 0.5565 0.1254 0.2965 ( 724 PWs) bands (ev): -3.3022 -3.2877 -0.0034 -0.0010 5.0137 5.0547 6.5580 6.5592 12.7587 12.7648 14.9446 14.9454 16.7477 16.7506 18.1188 18.1631 k = 0.5595 0.1168 0.3013 ( 722 PWs) bands (ev): -3.2591 -3.2439 0.0269 0.0291 4.8571 4.8995 6.5089 6.5100 12.7212 12.7290 15.0257 15.0262 16.8704 16.8736 18.1160 18.1607 k = 0.5625 0.1083 0.3062 ( 722 PWs) bands (ev): -3.2141 -3.1981 0.0576 0.0595 4.7015 4.7454 6.4593 6.4604 12.6743 12.6833 15.1146 15.1158 16.9959 16.9995 18.1109 18.1562 k = 0.5655 0.0997 0.3110 ( 722 PWs) bands (ev): -3.1673 -3.1505 0.0883 0.0898 4.5477 4.5930 6.4095 6.4105 12.6201 12.6301 15.2085 15.2100 17.1236 17.1277 18.1049 18.1508 k = 0.5685 0.0911 0.3159 ( 720 PWs) bands (ev): -3.1187 -3.1010 0.1188 0.1199 4.3961 4.4430 6.3596 6.3606 12.5607 12.5713 15.3041 15.3055 17.2530 17.2578 18.0997 18.1461 k = 0.5714 0.0825 0.3208 ( 720 PWs) bands (ev): -3.0684 -3.0500 0.1487 0.1494 4.2476 4.2961 6.3099 6.3109 12.4975 12.5086 15.3981 15.3990 17.3835 17.3893 18.0971 18.1440 k = 0.5744 0.0739 0.3256 ( 716 PWs) bands (ev): -3.0165 -2.9973 0.1776 0.1777 4.1028 4.1529 6.2604 6.2614 12.4319 12.4432 15.4875 15.4875 17.5146 17.5218 18.0994 18.1464 k = 0.5774 0.0653 0.3305 ( 718 PWs) bands (ev): -2.9632 -2.9432 0.2046 0.2051 3.9624 4.0142 6.2114 6.2124 12.3648 12.3763 15.5678 15.5688 17.6453 17.6545 18.1090 18.1556 k = 0.5804 0.0567 0.3353 ( 716 PWs) bands (ev): -2.9086 -2.8878 0.2295 0.2307 3.8274 3.8809 6.1630 6.1640 12.2972 12.3086 15.6373 15.6393 17.7748 17.7870 18.1286 18.1738 k = 0.5833 0.0481 0.3402 ( 715 PWs) bands (ev): -2.8528 -2.8312 0.2518 0.2537 3.6984 3.7537 6.1152 6.1162 12.2297 12.2409 15.6934 15.6965 17.9013 17.9186 18.1614 18.2031 k = 0.5863 0.0395 0.3451 ( 719 PWs) bands (ev): -2.7961 -2.7736 0.2709 0.2736 3.5765 3.6336 6.0682 6.0692 12.1628 12.1737 15.7342 15.7380 18.0224 18.0485 18.2110 18.2451 k = 0.5893 0.0309 0.3499 ( 720 PWs) bands (ev): -2.7387 -2.7154 0.2864 0.2898 3.4626 3.5215 6.0222 6.0232 12.0969 12.1075 15.7584 15.7628 18.1349 18.1756 18.2813 18.3016 k = 0.5923 0.0223 0.3548 ( 719 PWs) bands (ev): -2.6807 -2.6566 0.2975 0.3017 3.3577 3.4184 5.9773 5.9783 12.0324 12.0426 15.7656 15.7701 18.2378 18.2980 18.3728 18.3743 k = 0.5952 0.0137 0.3596 ( 719 PWs) bands (ev): -2.6226 -2.5977 0.3037 0.3086 3.2627 3.3252 5.9335 5.9345 11.9695 11.9793 15.7561 15.7603 18.3370 18.4125 18.4652 18.4788 k = 0.5982 0.0052 0.3645 ( 719 PWs) bands (ev): -2.5648 -2.5390 0.3046 0.3100 3.1787 3.2428 5.8910 5.8920 11.9085 11.9178 15.7307 15.7344 18.4395 18.5200 18.5716 18.5906 k = 0.6012-0.0034 0.3694 ( 721 PWs) bands (ev): -2.5076 -2.4809 0.2998 0.3058 3.1064 3.1719 5.8498 5.8508 11.8495 11.8583 15.6909 15.6938 18.5479 18.6287 18.6834 18.7032 k = 0.6042-0.0120 0.3742 ( 721 PWs) bands (ev): -2.4515 -2.4241 0.2895 0.2957 3.0466 3.1133 5.8101 5.8111 11.7927 11.8010 15.6383 15.6402 18.6622 18.7420 18.7946 18.8144 k = 0.6071-0.0206 0.3791 ( 721 PWs) bands (ev): -2.3973 -2.3691 0.2737 0.2800 2.9995 3.0673 5.7718 5.7728 11.7383 11.7460 15.5747 15.5755 18.7806 18.8585 18.9043 18.9234 k = 0.6101-0.0292 0.3839 ( 723 PWs) bands (ev): -2.3456 -2.3167 0.2533 0.2594 2.9654 3.0339 5.7351 5.7361 11.6863 11.6933 15.5014 15.5017 18.9000 18.9721 19.0157 19.0306 k = 0.6131-0.0378 0.3888 ( 723 PWs) bands (ev): -2.2973 -2.2678 0.2290 0.2349 2.9442 3.0132 5.7001 5.7011 11.6367 11.6431 15.4193 15.4208 19.0161 19.0753 19.1337 19.1378 k = 0.6161-0.0464 0.3937 ( 722 PWs) bands (ev): -2.2535 -2.2233 0.2025 0.2079 2.9354 3.0048 5.6668 5.6678 11.5897 11.5954 15.3308 15.3334 19.1236 19.1675 19.2471 19.2553 k = 0.6190-0.0550 0.3985 ( 722 PWs) bands (ev): -2.2151 -2.1845 0.1752 0.1801 2.9386 3.0080 5.6352 5.6363 11.5453 11.5503 15.2371 15.2408 19.2186 19.2512 19.3578 19.3737 k = 0.6220-0.0636 0.4034 ( 722 PWs) bands (ev): -2.1836 -2.1527 0.1493 0.1536 2.9529 3.0222 5.6055 5.6066 11.5034 11.5077 15.1393 15.1440 19.3010 19.3272 19.4626 19.4800 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.6200-0.0693 0.4164 ( 721 PWs) bands (ev): -2.1593 -2.1283 0.1269 0.1308 2.9785 3.0476 5.5684 5.5737 11.4730 11.4778 15.0391 15.0447 19.2984 19.3591 19.5773 19.6104 k = 0.6150-0.0664 0.4246 ( 721 PWs) bands (ev): -2.1570 -2.1259 0.1276 0.1314 2.9817 3.0508 5.5448 5.5551 11.4996 11.5070 15.0413 15.0469 19.1839 19.2595 19.6430 19.6652 k = 0.6100-0.0635 0.4327 ( 721 PWs) bands (ev): -2.1531 -2.1219 0.1287 0.1325 2.9870 3.0561 5.5077 5.5229 11.5441 11.5543 15.0450 15.0504 19.0599 19.1432 19.6807 19.6902 k = 0.6050-0.0606 0.4409 ( 721 PWs) bands (ev): -2.1477 -2.1164 0.1302 0.1339 2.9945 3.0636 5.4581 5.4780 11.6058 11.6187 15.0501 15.0554 18.9315 19.0204 19.6767 19.6857 k = 0.6000-0.0577 0.4491 ( 723 PWs) bands (ev): -2.1408 -2.1092 0.1320 0.1357 3.0040 3.0732 5.3968 5.4213 11.6835 11.6989 15.0567 15.0619 18.8006 18.8941 19.6438 19.6572 k = 0.5950-0.0548 0.4572 ( 723 PWs) bands (ev): -2.1325 -2.1006 0.1342 0.1378 3.0157 3.0850 5.3254 5.3540 11.7760 11.7935 15.0648 15.0699 18.6685 18.7657 19.5932 19.6103 k = 0.5900-0.0520 0.4654 ( 720 PWs) bands (ev): -2.1227 -2.0906 0.1366 0.1400 3.0296 3.0988 5.2450 5.2776 11.8818 11.9010 15.0746 15.0795 18.5358 18.6364 19.5298 19.5498 k = 0.5850-0.0491 0.4736 ( 720 PWs) bands (ev): -2.1117 -2.0791 0.1392 0.1425 3.0454 3.1148 5.1570 5.1933 11.9992 12.0197 15.0859 15.0906 18.4030 18.5069 19.4565 19.4788 k = 0.5800-0.0462 0.4817 ( 720 PWs) bands (ev): -2.0994 -2.0664 0.1418 0.1449 3.0634 3.1328 5.0629 5.1026 12.1265 12.1479 15.0989 15.1035 18.2709 18.3778 19.3751 19.3992 k = 0.5750-0.0433 0.4899 ( 716 PWs) bands (ev): -2.0859 -2.0524 0.1445 0.1474 3.0835 3.1529 4.9640 5.0068 12.2619 12.2838 15.1138 15.1182 18.1400 18.2497 19.2870 19.3127 k = 0.5700-0.0404 0.4981 ( 718 PWs) bands (ev): -2.0713 -2.0374 0.1470 0.1497 3.1055 3.1751 4.8615 4.9072 12.4037 12.4256 15.1306 15.1349 18.0106 18.1232 19.1936 19.2205 k = 0.5650-0.0375 0.5062 ( 718 PWs) bands (ev): -2.0558 -2.0214 0.1493 0.1518 3.1297 3.1993 4.7567 4.8052 12.5498 12.5714 15.1496 15.1538 17.8836 17.9990 19.0959 19.1239 k = 0.5600-0.0346 0.5144 ( 721 PWs) bands (ev): -2.0395 -2.0045 0.1513 0.1535 3.1558 3.2255 4.6509 4.7018 12.6985 12.7192 15.1710 15.1752 17.7595 17.8778 18.9951 19.0241 k = 0.5550-0.0318 0.5226 ( 721 PWs) bands (ev): -2.0226 -1.9871 0.1529 0.1548 3.1839 3.2538 4.5450 4.5983 12.8473 12.8668 15.1952 15.1995 17.6389 17.7602 18.8924 18.9222 k = 0.5500-0.0289 0.5307 ( 721 PWs) bands (ev): -2.0053 -1.9691 0.1539 0.1555 3.2139 3.2839 4.4401 4.4955 12.9942 13.0118 15.2225 15.2269 17.5227 17.6471 18.7890 18.8193 k = 0.5450-0.0260 0.5389 ( 721 PWs) bands (ev): -1.9878 -1.9510 0.1544 0.1557 3.2459 3.3160 4.3372 4.3946 13.1366 13.1520 15.2532 15.2579 17.4118 17.5395 18.6861 18.7166 k = 0.5400-0.0231 0.5471 ( 721 PWs) bands (ev): -1.9704 -1.9329 0.1542 0.1552 3.2797 3.3501 4.2372 4.2965 13.2718 13.2846 15.2877 15.2926 17.3072 17.4384 18.5849 18.6155 k = 0.5350-0.0202 0.5552 ( 721 PWs) bands (ev): -1.9533 -1.9153 0.1533 0.1540 3.3154 3.3859 4.1410 4.2019 13.3971 13.4071 15.3259 15.3312 17.2101 17.3451 18.4870 18.5172 k = 0.5300-0.0173 0.5634 ( 721 PWs) bands (ev): -1.9370 -1.8983 0.1518 0.1523 3.3528 3.4235 4.0493 4.1116 13.5098 13.5170 15.3676 15.3730 17.1220 17.2609 18.3940 18.4233 k = 0.5250-0.0144 0.5715 ( 723 PWs) bands (ev): -1.9218 -1.8825 0.1496 0.1500 3.3918 3.4628 3.9630 4.0265 13.6072 13.6121 15.4115 15.4170 17.0444 17.1876 18.3079 18.3355 k = 0.5200-0.0115 0.5797 ( 722 PWs) bands (ev): -1.9081 -1.8683 0.1469 0.1475 3.4324 3.5037 3.8828 3.9473 13.6869 13.6912 15.4556 15.4609 16.9793 17.1267 18.2309 18.2561 k = 0.5150-0.0087 0.5879 ( 724 PWs) bands (ev): -1.8965 -1.8563 0.1441 0.1449 3.4741 3.5457 3.8097 3.8746 13.7478 13.7531 15.4964 15.5016 16.9284 17.0800 18.1658 18.1874 k = 0.5100-0.0058 0.5960 ( 724 PWs) bands (ev): -1.8874 -1.8469 0.1414 0.1425 3.5163 3.5878 3.7455 3.8095 13.7901 13.7968 15.5299 15.5352 16.8931 17.0481 18.1159 18.1325 k = 0.5050-0.0029 0.6042 ( 724 PWs) bands (ev): -1.8816 -1.8408 0.1395 0.1407 3.5559 3.6249 3.6966 3.7542 13.8146 13.8223 15.5520 15.5576 16.8733 17.0307 18.0846 18.0951 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -1.8795 -1.8386 0.1387 0.1399 3.5778 3.6352 3.6858 3.7236 13.8225 13.8306 15.5598 15.5655 16.8675 17.0257 18.0746 18.0806 k = 0.5000 0.0000 0.6124 ( 724 PWs) bands (ev): -1.8795 -1.8386 0.1387 0.1399 3.5778 3.6352 3.6858 3.7236 13.8225 13.8306 15.5598 15.5655 16.8675 17.0257 18.0746 18.0806 k = 0.5000 0.0059 0.6040 ( 724 PWs) bands (ev): -1.8836 -1.8428 0.1415 0.1427 3.5393 3.6106 3.7100 3.7723 13.8208 13.8288 15.5588 15.5642 16.8624 17.0197 18.0825 18.0972 k = 0.5000 0.0118 0.5957 ( 724 PWs) bands (ev): -1.8958 -1.8554 0.1500 0.1508 3.4815 3.5542 3.7795 3.8462 13.8155 13.8237 15.5557 15.5603 16.8481 17.0030 18.1123 18.1388 k = 0.5000 0.0177 0.5874 ( 724 PWs) bands (ev): -1.9157 -1.8759 0.1635 0.1638 3.4263 3.4993 3.8586 3.9262 13.8070 13.8153 15.5500 15.5532 16.8276 16.9786 18.1636 18.2005 k = 0.5000 0.0236 0.5790 ( 722 PWs) bands (ev): -1.9429 -1.9038 0.1809 0.1813 3.3767 3.4498 3.9426 4.0104 13.7954 13.8039 15.5402 15.5427 16.8043 16.9505 18.2332 18.2786 k = 0.5000 0.0295 0.5707 ( 722 PWs) bands (ev): -1.9765 -1.9384 0.2011 0.2023 3.3337 3.4071 4.0303 4.0981 13.7811 13.7899 15.5244 15.5289 16.7820 16.9226 18.3179 18.3699 k = 0.5000 0.0353 0.5624 ( 722 PWs) bands (ev): -2.0159 -1.9788 0.2234 0.2254 3.2985 3.3720 4.1210 4.1886 13.7644 13.7735 15.5022 15.5104 16.7639 16.8983 18.4146 18.4715 k = 0.5000 0.0412 0.5541 ( 720 PWs) bands (ev): -2.0602 -2.0242 0.2465 0.2493 3.2716 3.3451 4.2143 4.2817 13.7458 13.7553 15.4731 15.4860 16.7521 16.8801 18.5210 18.5812 k = 0.5000 0.0471 0.5457 ( 724 PWs) bands (ev): -2.1088 -2.0739 0.2694 0.2730 3.2537 3.3272 4.3098 4.3769 13.7256 13.7355 15.4369 15.4550 16.7482 16.8694 18.6349 18.6973 k = 0.5000 0.0530 0.5374 ( 724 PWs) bands (ev): -2.1607 -2.1270 0.2910 0.2951 3.2454 3.3189 4.4071 4.4739 13.7045 13.7148 15.3938 15.4175 16.7528 16.8672 18.7548 18.8180 k = 0.5000 0.0589 0.5291 ( 724 PWs) bands (ev): -2.2154 -2.1828 0.3101 0.3148 3.2473 3.3205 4.5059 4.5725 13.6827 13.6935 15.3442 15.3735 16.7657 16.8736 18.8790 18.9417 k = 0.5000 0.0648 0.5207 ( 724 PWs) bands (ev): -2.2723 -2.2408 0.3262 0.3311 3.2597 3.3325 4.6061 4.6722 13.6607 13.6721 15.2890 15.3237 16.7862 16.8880 19.0060 19.0668 k = 0.5000 0.0707 0.5124 ( 728 PWs) bands (ev): -2.3307 -2.3003 0.3383 0.3434 3.2829 3.3551 4.7071 4.7729 13.6387 13.6507 15.2290 15.2688 16.8134 16.9097 19.1336 19.1906 k = 0.5000 0.0766 0.5041 ( 726 PWs) bands (ev): -2.3903 -2.3609 0.3462 0.3513 3.3170 3.3884 4.8089 4.8743 13.6173 13.6298 15.1653 15.2097 16.8461 16.9374 19.2585 19.3093 k = 0.5000 0.0825 0.4957 ( 722 PWs) bands (ev): -2.4505 -2.4222 0.3496 0.3544 3.3618 3.4324 4.9112 4.9762 13.5966 13.6097 15.0990 15.1475 16.8829 16.9700 19.3747 19.4160 k = 0.5000 0.0884 0.4874 ( 724 PWs) bands (ev): -2.5110 -2.4838 0.3484 0.3528 3.4171 3.4866 5.0136 5.0781 13.5767 13.5905 15.0308 15.0829 16.9227 17.0061 19.4695 19.4979 k = 0.5000 0.0943 0.4791 ( 722 PWs) bands (ev): -2.5716 -2.5453 0.3426 0.3466 3.4825 3.5509 5.1160 5.1799 13.5579 13.5722 14.9617 15.0169 16.9641 17.0444 19.5203 19.5343 k = 0.5000 0.1002 0.4707 ( 722 PWs) bands (ev): -2.6318 -2.6065 0.3325 0.3360 3.5575 3.6247 5.2180 5.2813 13.5401 13.5550 14.8925 14.9503 17.0058 17.0835 19.5048 19.5079 k = 0.5000 0.1060 0.4624 ( 724 PWs) bands (ev): -2.6915 -2.6671 0.3185 0.3214 3.6415 3.7074 5.3194 5.3820 13.5234 13.5388 14.8239 14.8840 17.0464 17.1219 19.4160 19.4383 k = 0.5000 0.1119 0.4541 ( 724 PWs) bands (ev): -2.7505 -2.7270 0.3010 0.3032 3.7339 3.7984 5.4200 5.4819 13.5075 13.5234 14.7567 14.8187 17.0846 17.1582 19.2936 19.3326 k = 0.5000 0.1178 0.4457 ( 724 PWs) bands (ev): -2.8085 -2.7860 0.2803 0.2819 3.8340 3.8972 5.5194 5.5806 13.4922 13.5085 14.6917 14.7552 17.1186 17.1904 19.1559 19.2079 k = 0.5000 0.1237 0.4374 ( 724 PWs) bands (ev): -2.8655 -2.8438 0.2570 0.2579 3.9411 4.0029 5.6176 5.6778 13.4771 13.4935 14.6298 14.6944 17.1467 17.2167 19.0133 19.0749 k = 0.5000 0.1296 0.4291 ( 720 PWs) bands (ev): -2.9212 -2.9004 0.2314 0.2318 4.0546 4.1152 5.7142 5.7735 13.4614 13.4778 14.5721 14.6373 17.1667 17.2345 18.8720 18.9407 k = 0.5000 0.1355 0.4207 ( 722 PWs) bands (ev): -2.9756 -2.9556 0.2040 0.2041 4.1738 4.2330 5.8089 5.8671 13.4445 13.4604 14.5196 14.5848 17.1762 17.2411 18.7370 18.8105 k = 0.5000 0.1414 0.4124 ( 722 PWs) bands (ev): -3.0285 -3.0093 0.1748 0.1755 4.2980 4.3560 5.9016 5.9587 13.4252 13.4402 14.4735 14.5382 17.1724 17.2333 18.6126 18.6887 k = 0.5000 0.1473 0.4041 ( 722 PWs) bands (ev): -3.0798 -3.0615 0.1447 0.1458 4.4268 4.4835 5.9921 6.0479 13.4025 13.4161 14.4352 14.4987 17.1528 17.2081 18.5028 18.5790 k = 0.5000 0.1532 0.3958 ( 720 PWs) bands (ev): -3.1294 -3.1119 0.1141 0.1156 4.5595 4.6150 6.0800 6.1345 13.3751 13.3868 14.4059 14.4675 17.1154 17.1632 18.4102 18.4844 k = 0.5000 0.1591 0.3874 ( 718 PWs) bands (ev): -3.1774 -3.1607 0.0831 0.0850 4.6956 4.7498 6.1653 6.2184 13.3420 13.3512 14.3868 14.4458 17.0592 17.0983 18.3360 18.4062 k = 0.5000 0.1650 0.3791 ( 720 PWs) bands (ev): -3.2235 -3.2076 0.0522 0.0543 4.8345 4.8874 6.2477 6.2992 13.3021 13.3084 14.3785 14.4344 16.9853 17.0148 18.2788 18.3439 k = 0.5000 0.1708 0.3708 ( 726 PWs) bands (ev): -3.2678 -3.2527 0.0216 0.0239 4.9757 5.0273 6.3270 6.3769 13.2548 13.2582 14.3812 14.4338 16.8961 16.9163 18.2355 18.2955 k = 0.5000 0.1767 0.3624 ( 724 PWs) bands (ev): -3.3102 -3.2958 -0.0086 -0.0061 5.1186 5.1690 6.4031 6.4512 13.1997 13.2012 14.3949 14.4440 16.7954 16.8072 18.2024 18.2577 k = 0.5000 0.1826 0.3541 ( 724 PWs) bands (ev): -3.3506 -3.3370 -0.0381 -0.0355 5.2627 5.3118 6.4759 6.5221 13.1354 13.1388 14.4190 14.4647 16.6864 16.6919 18.1754 18.2270 k = 0.5000 0.1885 0.3458 ( 724 PWs) bands (ev): -3.3890 -3.3762 -0.0667 -0.0640 5.4075 5.4552 6.5451 6.5894 13.0642 13.0701 14.4527 14.4952 16.5714 16.5755 18.1514 18.2002 k = 0.5000 0.1944 0.3374 ( 730 PWs) bands (ev): -3.4253 -3.4133 -0.0943 -0.0916 5.5522 5.5985 6.6107 6.6529 12.9872 12.9953 14.4952 14.5349 16.4535 16.4608 18.1278 18.1744 k = 0.5000 0.2003 0.3291 ( 730 PWs) bands (ev): -3.4596 -3.4483 -0.1208 -0.1181 5.6963 5.7411 6.6727 6.7127 12.9054 12.9152 14.5455 14.5826 16.3374 16.3477 18.1027 18.1475 k = 0.5000 0.2062 0.3208 ( 730 PWs) bands (ev): -3.4917 -3.4812 -0.1460 -0.1433 5.8391 5.8823 6.7309 6.7686 12.8195 12.8306 14.6026 14.6376 16.2254 16.2379 18.0746 18.1181 k = 0.5000 0.2121 0.3124 ( 732 PWs) bands (ev): -3.5217 -3.5120 -0.1698 -0.1672 5.9797 6.0213 6.7853 6.8206 12.7306 12.7426 14.6656 14.6987 16.1188 16.1327 18.0427 18.0850 k = 0.5000 0.2180 0.3041 ( 728 PWs) bands (ev): -3.5496 -3.5406 -0.1922 -0.1896 6.1176 6.1574 6.8358 6.8687 12.6396 12.6522 14.7334 14.7649 16.0187 16.0334 18.0066 18.0477 k = 0.5000 0.2239 0.2958 ( 728 PWs) bands (ev): -3.5752 -3.5670 -0.2130 -0.2106 6.2514 6.2893 6.8825 6.9129 12.5477 12.5606 14.8049 14.8351 15.9259 15.9408 17.9661 18.0059 k = 0.5000 0.2298 0.2874 ( 728 PWs) bands (ev): -3.5987 -3.5912 -0.2322 -0.2299 6.3804 6.4161 6.9253 6.9531 12.4561 12.4689 14.8791 14.9080 15.8410 15.8555 17.9214 17.9598 k = 0.5000 0.2357 0.2791 ( 728 PWs) bands (ev): -3.6199 -3.6132 -0.2497 -0.2476 6.5033 6.5367 6.9642 6.9894 12.3661 12.3787 14.9546 14.9822 15.7643 15.7782 17.8732 17.9099 k = 0.5000 0.2415 0.2708 ( 730 PWs) bands (ev): -3.6389 -3.6330 -0.2655 -0.2636 6.6189 6.6498 6.9995 7.0218 12.2791 12.2912 15.0298 15.0561 15.6962 15.7091 17.8225 17.8572 k = 0.5000 0.2474 0.2624 ( 728 PWs) bands (ev): -3.6557 -3.6505 -0.2796 -0.2779 6.7257 6.7538 7.0311 7.0506 12.1969 12.2082 15.1032 15.1280 15.6371 15.6487 17.7707 17.8028 k = 0.5000 0.2533 0.2541 ( 730 PWs) bands (ev): -3.6702 -3.6657 -0.2918 -0.2903 6.8222 6.8471 7.0593 7.0758 12.1210 12.1313 15.1725 15.1956 15.5873 15.5975 17.7193 17.7485 k = 0.5000 0.2592 0.2458 ( 726 PWs) bands (ev): -3.6824 -3.6786 -0.3021 -0.3009 6.9065 6.9279 7.0846 7.0980 12.0532 12.0622 15.2352 15.2561 15.5475 15.5561 17.6705 17.6962 k = 0.5000 0.2651 0.2375 ( 726 PWs) bands (ev): -3.6923 -3.6893 -0.3106 -0.3096 6.9767 6.9940 7.1077 7.1174 11.9950 12.0026 15.2880 15.3059 15.5191 15.5256 17.6264 17.6480 k = 0.5000 0.2710 0.2291 ( 722 PWs) bands (ev): -3.7000 -3.6977 -0.3172 -0.3164 7.0307 7.0431 7.1294 7.1352 11.9482 11.9541 15.3272 15.3411 15.5035 15.5076 17.5895 17.6064 k = 0.5000 0.2769 0.2208 ( 718 PWs) bands (ev): -3.7053 -3.7038 -0.3219 -0.3214 7.0669 7.0744 7.1494 7.1515 11.9139 11.9180 15.3509 15.3597 15.5002 15.5018 17.5620 17.5736 k = 0.5000 0.2828 0.2125 ( 718 PWs) bands (ev): -3.7084 -3.7076 -0.3247 -0.3244 7.0868 7.0901 7.1640 7.1643 11.8934 11.8954 15.3617 15.3658 15.5032 15.5035 17.5458 17.5518 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -3.7092 -3.7092 -0.3255 -0.3255 7.0939 7.0939 7.1693 7.1693 11.8871 11.8871 15.3657 15.3657 15.5052 15.5052 17.5423 17.5423 k = 0.5000 0.2887 0.2041 ( 718 PWs) bands (ev): -3.7092 -3.7092 -0.3255 -0.3255 7.0939 7.0939 7.1693 7.1693 11.8871 11.8871 15.3657 15.3657 15.5052 15.5052 17.5423 17.5423 k = 0.4970 0.2870 0.2138 ( 718 PWs) bands (ev): -3.7084 -3.7076 -0.3246 -0.3244 7.0867 7.0900 7.1640 7.1641 11.8935 11.8956 15.3617 15.3658 15.5032 15.5034 17.5459 17.5519 k = 0.4940 0.2852 0.2236 ( 718 PWs) bands (ev): -3.7052 -3.7037 -0.3218 -0.3213 7.0665 7.0738 7.1497 7.1506 11.9145 11.9186 15.3506 15.3594 15.5004 15.5016 17.5624 17.5742 k = 0.4911 0.2835 0.2333 ( 724 PWs) bands (ev): -3.6998 -3.6975 -0.3170 -0.3163 7.0297 7.0411 7.1308 7.1328 11.9494 11.9554 15.3266 15.3401 15.5044 15.5070 17.5905 17.6076 k = 0.4881 0.2818 0.2430 ( 728 PWs) bands (ev): -3.6920 -3.6889 -0.3103 -0.3093 6.9749 6.9898 7.1109 7.1134 11.9972 12.0048 15.2871 15.3041 15.5211 15.5246 17.6281 17.6499 k = 0.4851 0.2801 0.2527 ( 728 PWs) bands (ev): -3.6818 -3.6780 -0.3016 -0.3004 6.9033 6.9211 7.0899 7.0925 12.0562 12.0653 15.2345 15.2537 15.5506 15.5541 17.6729 17.6988 k = 0.4821 0.2784 0.2624 ( 727 PWs) bands (ev): -3.6693 -3.6648 -0.2911 -0.2896 6.8171 6.8373 7.0669 7.0694 12.1248 12.1350 15.1731 15.1936 15.5908 15.5941 17.7224 17.7518 k = 0.4792 0.2766 0.2722 ( 727 PWs) bands (ev): -3.6545 -3.6493 -0.2786 -0.2769 6.7180 6.7404 7.0414 7.0437 12.2009 12.2119 15.1065 15.1277 15.6402 15.6433 17.7743 17.8067 k = 0.4762 0.2749 0.2819 ( 725 PWs) bands (ev): -3.6374 -3.6314 -0.2643 -0.2624 6.6079 6.6322 7.0132 7.0153 12.2822 12.2938 15.0382 15.0595 15.6979 15.7009 17.8266 17.8613 k = 0.4732 0.2732 0.2916 ( 725 PWs) bands (ev): -3.6181 -3.6112 -0.2482 -0.2461 6.4881 6.5144 6.9822 6.9841 12.3663 12.3780 14.9712 14.9921 15.7633 15.7661 17.8772 17.9140 k = 0.4702 0.2715 0.3013 ( 725 PWs) bands (ev): -3.5964 -3.5888 -0.2303 -0.2280 6.3603 6.3883 6.9485 6.9503 12.4505 12.4619 14.9084 14.9285 15.8359 15.8385 17.9250 17.9633 k = 0.4673 0.2698 0.3110 ( 725 PWs) bands (ev): -3.5724 -3.5641 -0.2107 -0.2083 6.2255 6.2551 6.9123 6.9140 12.5319 12.5425 14.8527 14.8717 15.9153 15.9178 17.9685 18.0082 k = 0.4643 0.2681 0.3208 ( 724 PWs) bands (ev): -3.5462 -3.5372 -0.1895 -0.1870 6.0848 6.1161 6.8739 6.8755 12.6074 12.6168 14.8073 14.8246 16.0011 16.0035 18.0071 18.0478 k = 0.4613 0.2663 0.3305 ( 724 PWs) bands (ev): -3.5178 -3.5080 -0.1667 -0.1641 5.9395 5.9722 6.8333 6.8348 12.6738 12.6816 14.7749 14.7902 16.0928 16.0952 18.0402 18.0816 k = 0.4583 0.2646 0.3402 ( 730 PWs) bands (ev): -3.4872 -3.4766 -0.1425 -0.1398 5.7902 5.8244 6.7908 6.7922 12.7281 12.7339 14.7583 14.7712 16.1901 16.1925 18.0672 18.1094 k = 0.4554 0.2629 0.3499 ( 728 PWs) bands (ev): -3.4544 -3.4431 -0.1169 -0.1142 5.6380 5.6736 6.7467 6.7481 12.7679 12.7712 14.7596 14.7698 16.2927 16.2951 18.0884 18.1310 k = 0.4524 0.2612 0.3596 ( 724 PWs) bands (ev): -3.4195 -3.4073 -0.0900 -0.0873 5.4836 5.5205 6.7012 6.7025 12.7913 12.7921 14.7798 14.7872 16.4002 16.4026 18.1037 18.1469 k = 0.4494 0.2595 0.3694 ( 726 PWs) bands (ev): -3.3825 -3.3695 -0.0621 -0.0594 5.3275 5.3659 6.6544 6.6556 12.7962 12.7979 14.8185 14.8233 16.5121 16.5147 18.1135 18.1570 k = 0.4464 0.2577 0.3791 ( 724 PWs) bands (ev): -3.3433 -3.3296 -0.0331 -0.0306 5.1707 5.2104 6.6066 6.6078 12.7845 12.7886 14.8743 14.8769 16.6281 16.6308 18.1183 18.1622 k = 0.4435 0.2560 0.3888 ( 724 PWs) bands (ev): -3.3022 -3.2877 -0.0034 -0.0010 5.0137 5.0547 6.5580 6.5592 12.7587 12.7648 14.9446 14.9454 16.7477 16.7506 18.1188 18.1631 k = 0.4405 0.2543 0.3985 ( 722 PWs) bands (ev): -3.2591 -3.2439 0.0269 0.0291 4.8571 4.8995 6.5089 6.5100 12.7212 12.7290 15.0257 15.0262 16.8704 16.8736 18.1160 18.1607 k = 0.4375 0.2526 0.4082 ( 722 PWs) bands (ev): -3.2141 -3.1981 0.0576 0.0595 4.7015 4.7454 6.4593 6.4604 12.6743 12.6833 15.1146 15.1158 16.9959 16.9995 18.1109 18.1562 k = 0.4345 0.2509 0.4180 ( 722 PWs) bands (ev): -3.1673 -3.1505 0.0883 0.0898 4.5476 4.5930 6.4095 6.4105 12.6201 12.6301 15.2085 15.2100 17.1236 17.1277 18.1049 18.1508 k = 0.4315 0.2492 0.4277 ( 720 PWs) bands (ev): -3.1187 -3.1010 0.1188 0.1199 4.3961 4.4430 6.3596 6.3606 12.5607 12.5713 15.3041 15.3055 17.2530 17.2578 18.0997 18.1461 k = 0.4286 0.2474 0.4374 ( 720 PWs) bands (ev): -3.0684 -3.0500 0.1487 0.1494 4.2476 4.2961 6.3099 6.3109 12.4975 12.5086 15.3981 15.3990 17.3835 17.3893 18.0971 18.1440 k = 0.4256 0.2457 0.4471 ( 716 PWs) bands (ev): -3.0165 -2.9973 0.1776 0.1777 4.1028 4.1529 6.2604 6.2614 12.4319 12.4432 15.4875 15.4875 17.5146 17.5218 18.0994 18.1464 k = 0.4226 0.2440 0.4568 ( 718 PWs) bands (ev): -2.9632 -2.9432 0.2046 0.2051 3.9624 4.0142 6.2114 6.2124 12.3648 12.3763 15.5678 15.5688 17.6453 17.6545 18.1090 18.1556 k = 0.4196 0.2423 0.4666 ( 716 PWs) bands (ev): -2.9086 -2.8878 0.2295 0.2307 3.8274 3.8809 6.1630 6.1640 12.2972 12.3086 15.6373 15.6393 17.7748 17.7870 18.1286 18.1738 k = 0.4167 0.2406 0.4763 ( 715 PWs) bands (ev): -2.8528 -2.8312 0.2518 0.2537 3.6984 3.7537 6.1152 6.1162 12.2297 12.2409 15.6934 15.6965 17.9013 17.9186 18.1614 18.2031 k = 0.4137 0.2388 0.4860 ( 719 PWs) bands (ev): -2.7961 -2.7736 0.2709 0.2736 3.5765 3.6336 6.0682 6.0692 12.1628 12.1737 15.7342 15.7380 18.0224 18.0485 18.2110 18.2451 k = 0.4107 0.2371 0.4957 ( 720 PWs) bands (ev): -2.7387 -2.7154 0.2864 0.2898 3.4626 3.5215 6.0222 6.0232 12.0969 12.1075 15.7584 15.7628 18.1349 18.1756 18.2813 18.3016 k = 0.4077 0.2354 0.5055 ( 719 PWs) bands (ev): -2.6807 -2.6566 0.2975 0.3017 3.3577 3.4184 5.9773 5.9783 12.0324 12.0426 15.7656 15.7701 18.2378 18.2980 18.3728 18.3743 k = 0.4048 0.2337 0.5152 ( 719 PWs) bands (ev): -2.6226 -2.5977 0.3037 0.3086 3.2627 3.3252 5.9335 5.9345 11.9695 11.9793 15.7561 15.7603 18.3370 18.4125 18.4652 18.4788 k = 0.4018 0.2320 0.5249 ( 719 PWs) bands (ev): -2.5648 -2.5390 0.3046 0.3100 3.1787 3.2428 5.8910 5.8920 11.9085 11.9178 15.7307 15.7344 18.4395 18.5200 18.5716 18.5906 k = 0.3988 0.2303 0.5346 ( 721 PWs) bands (ev): -2.5076 -2.4809 0.2998 0.3058 3.1064 3.1719 5.8498 5.8508 11.8495 11.8583 15.6909 15.6938 18.5479 18.6287 18.6834 18.7032 k = 0.3958 0.2285 0.5443 ( 721 PWs) bands (ev): -2.4515 -2.4241 0.2895 0.2957 3.0466 3.1133 5.8101 5.8111 11.7927 11.8010 15.6383 15.6402 18.6622 18.7420 18.7946 18.8144 k = 0.3929 0.2268 0.5541 ( 721 PWs) bands (ev): -2.3973 -2.3691 0.2737 0.2800 2.9995 3.0673 5.7718 5.7728 11.7383 11.7460 15.5747 15.5755 18.7806 18.8585 18.9043 18.9234 k = 0.3899 0.2251 0.5638 ( 723 PWs) bands (ev): -2.3456 -2.3167 0.2533 0.2594 2.9654 3.0339 5.7351 5.7361 11.6863 11.6933 15.5014 15.5017 18.9000 18.9721 19.0157 19.0306 k = 0.3869 0.2234 0.5735 ( 723 PWs) bands (ev): -2.2973 -2.2678 0.2290 0.2349 2.9442 3.0132 5.7001 5.7011 11.6367 11.6431 15.4193 15.4208 19.0161 19.0753 19.1337 19.1378 k = 0.3839 0.2217 0.5832 ( 722 PWs) bands (ev): -2.2535 -2.2233 0.2025 0.2079 2.9354 3.0048 5.6668 5.6678 11.5897 11.5954 15.3308 15.3334 19.1236 19.1675 19.2471 19.2553 k = 0.3810 0.2199 0.5929 ( 722 PWs) bands (ev): -2.2151 -2.1845 0.1752 0.1801 2.9386 3.0080 5.6352 5.6363 11.5453 11.5503 15.2371 15.2408 19.2186 19.2512 19.3578 19.3737 k = 0.3780 0.2182 0.6027 ( 722 PWs) bands (ev): -2.1836 -2.1527 0.1493 0.1536 2.9529 3.0222 5.6055 5.6066 11.5034 11.5077 15.1393 15.1440 19.3010 19.3272 19.4626 19.4800 k = 0.3750 0.2165 0.6124 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.6250-0.0722 0.4082 ( 724 PWs) bands (ev): -2.1601 -2.1292 0.1267 0.1306 2.9774 3.0465 5.5776 5.5787 11.4643 11.4678 15.0384 15.0440 19.3716 19.3959 19.5451 19.5604 k = 0.6200-0.0808 0.4082 ( 722 PWs) bands (ev): -2.1306 -2.0998 0.0939 0.0972 3.0307 3.0993 5.5331 5.5342 11.4011 11.4034 14.8630 14.8701 19.4799 19.5046 19.6508 19.6615 k = 0.6150-0.0895 0.4082 ( 722 PWs) bands (ev): -2.1058 -2.0754 0.0633 0.0661 3.0919 3.1598 5.4901 5.4913 11.3390 11.3399 14.6814 14.6897 19.5865 19.6119 19.7510 19.7565 k = 0.6100-0.0981 0.4082 ( 722 PWs) bands (ev): -2.0854 -2.0556 0.0346 0.0369 3.1606 3.2276 5.4486 5.4499 11.2771 11.2776 14.4953 14.5046 19.6908 19.7176 19.8434 19.8438 k = 0.6050-0.1068 0.4082 ( 724 PWs) bands (ev): -2.0692 -2.0401 0.0076 0.0095 3.2363 3.3024 5.4088 5.4101 11.2150 11.2169 14.3063 14.3165 19.7923 19.8210 19.9232 19.9255 k = 0.6000-0.1155 0.4082 ( 728 PWs) bands (ev): -2.0566 -2.0283 -0.0177 -0.0162 3.3186 3.3836 5.3706 5.3720 11.1534 11.1567 14.1162 14.1269 19.8894 19.9211 19.9964 19.9992 k = 0.5950-0.1241 0.4082 ( 726 PWs) bands (ev): -2.0474 -2.0200 -0.0416 -0.0404 3.4070 3.4707 5.3340 5.3355 11.0921 11.0969 13.9264 13.9374 19.9801 20.0149 20.0683 20.0707 k = 0.5900-0.1328 0.4082 ( 724 PWs) bands (ev): -2.0410 -2.0147 -0.0641 -0.0632 3.5007 3.5631 5.2992 5.3007 11.0309 11.0372 13.7383 13.7493 20.0615 20.0962 20.1465 20.1471 k = 0.5850-0.1415 0.4082 ( 724 PWs) bands (ev): -2.0371 -2.0120 -0.0854 -0.0847 3.5990 3.6599 5.2661 5.2677 10.9696 10.9774 13.5534 13.5642 20.1337 20.1647 20.2279 20.2343 k = 0.5800-0.1501 0.4082 ( 726 PWs) bands (ev): -2.0354 -2.0115 -0.1055 -0.1049 3.7012 3.7604 5.2347 5.2364 10.9078 10.9173 13.3730 13.3833 20.2002 20.2275 20.3120 20.3232 k = 0.5750-0.1588 0.4082 ( 726 PWs) bands (ev): -2.0354 -2.0128 -0.1244 -0.1240 3.8063 3.8639 5.2051 5.2070 10.8455 10.8565 13.1985 13.2081 20.2638 20.2880 20.3956 20.4103 k = 0.5700-0.1674 0.4082 ( 726 PWs) bands (ev): -2.0368 -2.0155 -0.1422 -0.1420 3.9136 3.9693 5.1774 5.1793 10.7824 10.7949 13.0311 13.0399 20.3258 20.3473 20.4768 20.4942 k = 0.5650-0.1761 0.4082 ( 726 PWs) bands (ev): -2.0393 -2.0194 -0.1588 -0.1587 4.0221 4.0756 5.1514 5.1536 10.7184 10.7323 12.8721 12.8799 20.3864 20.4054 20.5545 20.5743 k = 0.5600-0.1848 0.4082 ( 720 PWs) bands (ev): -2.0425 -2.0241 -0.1744 -0.1744 4.1307 4.1820 5.1274 5.1297 10.6533 10.6686 12.7227 12.7293 20.4457 20.4621 20.6279 20.6498 k = 0.5550-0.1934 0.4082 ( 720 PWs) bands (ev): -2.0463 -2.0294 -0.1889 -0.1888 4.2381 4.2871 5.1053 5.1078 10.5875 10.6038 12.5838 12.5893 20.5032 20.5170 20.6964 20.7204 k = 0.5500-0.2021 0.4082 ( 720 PWs) bands (ev): -2.0505 -2.0350 -0.2022 -0.2021 4.3433 4.3897 5.0851 5.0878 10.5211 10.5382 12.4564 12.4607 20.5585 20.5698 20.7597 20.7855 k = 0.5450-0.2107 0.4082 ( 724 PWs) bands (ev): -2.0547 -2.0408 -0.2144 -0.2142 4.4450 4.4885 5.0669 5.0699 10.4549 10.4724 12.3412 12.3444 20.6111 20.6200 20.8171 20.8447 k = 0.5400-0.2194 0.4082 ( 724 PWs) bands (ev): -2.0589 -2.0465 -0.2253 -0.2252 4.5416 4.5821 5.0508 5.0541 10.3897 10.4072 12.2386 12.2407 20.6606 20.6672 20.8686 20.8974 k = 0.5350-0.2281 0.4082 ( 724 PWs) bands (ev): -2.0628 -2.0519 -0.2350 -0.2349 4.6318 4.6689 5.0370 5.0406 10.3268 10.3438 12.1488 12.1501 20.7064 20.7108 20.9140 20.9434 k = 0.5300-0.2367 0.4082 ( 724 PWs) bands (ev): -2.0663 -2.0570 -0.2435 -0.2434 4.7137 4.7472 5.0255 5.0295 10.2676 10.2836 12.0718 12.0725 20.7479 20.7504 20.9531 20.9821 k = 0.5250-0.2454 0.4082 ( 732 PWs) bands (ev): -2.0694 -2.0616 -0.2508 -0.2506 4.7856 4.8152 5.0169 5.0213 10.2138 10.2281 12.0075 12.0076 20.7845 20.7854 20.9861 21.0134 k = 0.5200-0.2540 0.4082 ( 732 PWs) bands (ev): -2.0719 -2.0657 -0.2567 -0.2566 4.8455 4.8705 5.0121 5.0165 10.1671 10.1793 11.9554 11.9555 20.8153 20.8155 21.0132 21.0375 k = 0.5150-0.2627 0.4082 ( 736 PWs) bands (ev): -2.0738 -2.0691 -0.2613 -0.2612 4.8911 4.9105 5.0123 5.0159 10.1291 10.1387 11.9153 11.9155 20.8394 20.8403 21.0346 21.0544 k = 0.5100-0.2714 0.4082 ( 736 PWs) bands (ev): -2.0749 -2.0718 -0.2646 -0.2645 4.9209 4.9334 5.0182 5.0200 10.1013 10.1079 11.8870 11.8872 20.8574 20.8583 21.0508 21.0648 k = 0.5050-0.2800 0.4082 ( 736 PWs) bands (ev): -2.0753 -2.0737 -0.2666 -0.2666 4.9368 4.9425 5.0257 5.0261 10.0849 10.0883 11.8702 11.8703 20.8686 20.8692 21.0620 21.0692 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -2.0749 -2.0749 -0.2672 -0.2672 4.9430 4.9430 5.0289 5.0289 10.0805 10.0805 11.8647 11.8647 20.8726 20.8726 21.0681 21.0681 Writing output data file GeC.save init_run : 2.29s CPU 11.92s WALL ( 1 calls) electrons : 63.46s CPU 67.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.23s CPU 1.27s WALL ( 1 calls) Called by electrons: c_bands : 63.44s CPU 66.93s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.71s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.43s WALL ( 1 calls) newd : 0.03s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 455 calls) cegterg : 39.81s CPU 40.34s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 24.15s CPU 26.97s WALL ( 6725 calls) s_psi : 0.23s CPU 0.63s WALL ( 6725 calls) g_psi : 0.01s CPU 0.04s WALL ( 5813 calls) cdiaghg : 9.49s CPU 9.55s WALL ( 6268 calls) cegterg:over : 3.03s CPU 2.58s WALL ( 5813 calls) cegterg:upda : 0.10s CPU 0.25s WALL ( 5813 calls) cegterg:last : 0.02s CPU 0.17s WALL ( 1562 calls) Called by h_psi: h_psi:vloc : 20.73s CPU 23.84s WALL ( 6725 calls) h_psi:vnl : 3.40s CPU 2.99s WALL ( 6725 calls) add_vuspsi : 0.12s CPU 0.43s WALL ( 6725 calls) General routines calbec : 3.26s CPU 2.45s WALL ( 6725 calls) fft : 0.35s CPU 1.11s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 19.90s CPU 22.84s WALL ( 315244 calls) interpolate : 0.14s CPU 0.21s WALL ( 4 calls) davcio : 0.03s CPU 0.69s WALL ( 910 calls) Parallel routines fft_scatter : 14.49s CPU 16.53s WALL ( 315267 calls) PWSCF : 1m24.03s CPU 3m 2.06s WALL This run was terminated on: 7:34:11 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=