Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:10:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./C.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 10 3 326 110 21 Max 22 11 4 330 120 24 Sum 785 391 131 11809 4207 813 bravais-lattice index = 14 lattice parameter (alat) = 6.8692 a.u. unit-cell volume = 117.9944 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 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)= 6.869154 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.771736 celldm(5)= 0.771736 celldm(6)= 0.771736 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.771736 0.635944 0.000000 ) a(3) = ( 0.771736 0.277005 0.572444 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.213528 -0.760916 ) b(2) = ( 0.000000 1.572467 -0.760916 ) b(3) = ( 0.000000 0.000000 1.746896 ) PseudoPot. # 1 for C read from file: /users/gautes/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 C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 507 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 2) = ( 0.0065790 -0.0079837 -0.0050060), wk = 0.0019724 k( 3) = ( 0.0131579 -0.0159675 -0.0100120), wk = 0.0019724 k( 4) = ( 0.0197368 -0.0239512 -0.0150181), wk = 0.0019724 k( 5) = ( 0.0263158 -0.0319350 -0.0200241), wk = 0.0019724 k( 6) = ( 0.0328947 -0.0399187 -0.0250301), wk = 0.0019724 k( 7) = ( 0.0394737 -0.0479024 -0.0300361), wk = 0.0019724 k( 8) = ( 0.0460526 -0.0558862 -0.0350422), wk = 0.0019724 k( 9) = ( 0.0526316 -0.0638699 -0.0400482), wk = 0.0019724 k( 10) = ( 0.0592105 -0.0718537 -0.0450542), wk = 0.0019724 k( 11) = ( 0.0657895 -0.0798374 -0.0500602), wk = 0.0019724 k( 12) = ( 0.0723684 -0.0878211 -0.0550663), wk = 0.0019724 k( 13) = ( 0.0789474 -0.0958049 -0.0600723), wk = 0.0019724 k( 14) = ( 0.0855263 -0.1037886 -0.0650783), wk = 0.0019724 k( 15) = ( 0.0921053 -0.1117724 -0.0700843), wk = 0.0019724 k( 16) = ( 0.0986842 -0.1197561 -0.0750904), wk = 0.0019724 k( 17) = ( 0.1052632 -0.1277398 -0.0800964), wk = 0.0019724 k( 18) = ( 0.1118421 -0.1357236 -0.0851024), wk = 0.0019724 k( 19) = ( 0.1184210 -0.1437073 -0.0901084), wk = 0.0019724 k( 20) = ( 0.1250000 -0.1516911 -0.0951145), wk = 0.0019724 k( 21) = ( 0.1315790 -0.1596748 -0.1001205), wk = 0.0019724 k( 22) = ( 0.1381579 -0.1676585 -0.1051265), wk = 0.0019724 k( 23) = ( 0.1447368 -0.1756423 -0.1101325), wk = 0.0019724 k( 24) = ( 0.1513158 -0.1836260 -0.1151386), wk = 0.0019724 k( 25) = ( 0.1578947 -0.1916098 -0.1201446), wk = 0.0019724 k( 26) = ( 0.1644737 -0.1995935 -0.1251506), wk = 0.0019724 k( 27) = ( 0.1710526 -0.2075772 -0.1301566), wk = 0.0019724 k( 28) = ( 0.1776316 -0.2155610 -0.1351627), wk = 0.0019724 k( 29) = ( 0.1842105 -0.2235447 -0.1401687), wk = 0.0019724 k( 30) = ( 0.1907895 -0.2315285 -0.1451747), wk = 0.0019724 k( 31) = ( 0.1973684 -0.2395122 -0.1501807), wk = 0.0019724 k( 32) = ( 0.2039474 -0.2474959 -0.1551868), wk = 0.0019724 k( 33) = ( 0.2105263 -0.2554797 -0.1601928), wk = 0.0019724 k( 34) = ( 0.2171053 -0.2634634 -0.1651988), wk = 0.0019724 k( 35) = ( 0.2236842 -0.2714472 -0.1702048), wk = 0.0019724 k( 36) = ( 0.2302632 -0.2794309 -0.1752109), wk = 0.0019724 k( 37) = ( 0.2368421 -0.2874146 -0.1802169), wk = 0.0019724 k( 38) = ( 0.2434210 -0.2953984 -0.1852229), wk = 0.0019724 k( 39) = ( 0.2500000 -0.3033821 -0.1902289), wk = 0.0019724 k( 40) = ( 0.2565789 -0.3113659 -0.1952350), wk = 0.0019724 k( 41) = ( 0.2631579 -0.3193496 -0.2002410), wk = 0.0019724 k( 42) = ( 0.2697368 -0.3273333 -0.2052470), wk = 0.0019724 k( 43) = ( 0.2763158 -0.3353171 -0.2102530), wk = 0.0019724 k( 44) = ( 0.2828947 -0.3433008 -0.2152591), wk = 0.0019724 k( 45) = ( 0.2894737 -0.3512846 -0.2202651), wk = 0.0019724 k( 46) = ( 0.2960526 -0.3592683 -0.2252711), wk = 0.0019724 k( 47) = ( 0.3026316 -0.3672520 -0.2302771), wk = 0.0019724 k( 48) = ( 0.3092105 -0.3752358 -0.2352832), wk = 0.0019724 k( 49) = ( 0.3157895 -0.3832195 -0.2402892), wk = 0.0019724 k( 50) = ( 0.3223684 -0.3912033 -0.2452952), wk = 0.0019724 k( 51) = ( 0.3289474 -0.3991870 -0.2503012), wk = 0.0019724 k( 52) = ( 0.3355263 -0.4071707 -0.2553073), wk = 0.0019724 k( 53) = ( 0.3421053 -0.4151545 -0.2603133), wk = 0.0019724 k( 54) = ( 0.3486842 -0.4231382 -0.2653193), wk = 0.0019724 k( 55) = ( 0.3552632 -0.4311220 -0.2703253), wk = 0.0019724 k( 56) = ( 0.3618421 -0.4391057 -0.2753314), wk = 0.0019724 k( 57) = ( 0.3684211 -0.4470894 -0.2803374), wk = 0.0019724 k( 58) = ( 0.3750000 -0.4550732 -0.2853434), wk = 0.0019724 k( 59) = ( 0.3815789 -0.4630569 -0.2903494), wk = 0.0019724 k( 60) = ( 0.3881579 -0.4710407 -0.2953554), wk = 0.0019724 k( 61) = ( 0.3947368 -0.4790244 -0.3003615), wk = 0.0019724 k( 62) = ( 0.4013158 -0.4870081 -0.3053675), wk = 0.0019724 k( 63) = ( 0.4078947 -0.4949919 -0.3103735), wk = 0.0019724 k( 64) = ( 0.4144737 -0.5029756 -0.3153795), wk = 0.0019724 k( 65) = ( 0.4210526 -0.5109594 -0.3203856), wk = 0.0019724 k( 66) = ( 0.4276316 -0.5189431 -0.3253916), wk = 0.0019724 k( 67) = ( 0.4342105 -0.5269268 -0.3303976), wk = 0.0019724 k( 68) = ( 0.4407895 -0.5349106 -0.3354036), wk = 0.0019724 k( 69) = ( 0.4473684 -0.5428943 -0.3404097), wk = 0.0019724 k( 70) = ( 0.4539474 -0.5508781 -0.3454157), wk = 0.0019724 k( 71) = ( 0.4605263 -0.5588618 -0.3504217), wk = 0.0019724 k( 72) = ( 0.4671053 -0.5668455 -0.3554277), wk = 0.0019724 k( 73) = ( 0.4736842 -0.5748293 -0.3604338), wk = 0.0019724 k( 74) = ( 0.4802632 -0.5828130 -0.3654398), wk = 0.0019724 k( 75) = ( 0.4868421 -0.5907968 -0.3704458), wk = 0.0019724 k( 76) = ( 0.4934211 -0.5987805 -0.3754518), wk = 0.0019724 k( 77) = ( 0.5000000 -0.6067642 -0.3804579), wk = 0.0019724 k( 78) = ( 0.5000000 -0.6067642 -0.3804579), wk = 0.0019724 k( 79) = ( 0.5000000 -0.6007031 -0.3901243), wk = 0.0019724 k( 80) = ( 0.5000000 -0.5946419 -0.3997908), wk = 0.0019724 k( 81) = ( 0.5000000 -0.5885808 -0.4094573), wk = 0.0019724 k( 82) = ( 0.5000000 -0.5825197 -0.4191237), wk = 0.0019724 k( 83) = ( 0.5000000 -0.5764585 -0.4287902), wk = 0.0019724 k( 84) = ( 0.5000000 -0.5703974 -0.4384567), wk = 0.0019724 k( 85) = ( 0.5000000 -0.5643362 -0.4481232), wk = 0.0019724 k( 86) = ( 0.5000000 -0.5582751 -0.4577896), wk = 0.0019724 k( 87) = ( 0.5000000 -0.5522140 -0.4674561), wk = 0.0019724 k( 88) = ( 0.5000000 -0.5461528 -0.4771226), wk = 0.0019724 k( 89) = ( 0.5000000 -0.5400917 -0.4867890), wk = 0.0019724 k( 90) = ( 0.5000000 -0.5340305 -0.4964555), wk = 0.0019724 k( 91) = ( 0.5000000 -0.5279694 -0.5061220), wk = 0.0019724 k( 92) = ( 0.5000000 -0.5219082 -0.5157884), wk = 0.0019724 k( 93) = ( 0.5000000 -0.5158471 -0.5254549), wk = 0.0019724 k( 94) = ( 0.5000000 -0.5097860 -0.5351214), wk = 0.0019724 k( 95) = ( 0.5000000 -0.5037248 -0.5447878), wk = 0.0019724 k( 96) = ( 0.5000000 -0.4976637 -0.5544543), wk = 0.0019724 k( 97) = ( 0.5000000 -0.4916025 -0.5641208), wk = 0.0019724 k( 98) = ( 0.5000000 -0.4855414 -0.5737872), wk = 0.0019724 k( 99) = ( 0.5000000 -0.4794803 -0.5834537), wk = 0.0019724 k( 100) = ( 0.5000000 -0.4734191 -0.5931202), wk = 0.0019724 k( 101) = ( 0.5000000 -0.4673580 -0.6027866), wk = 0.0019724 k( 102) = ( 0.5000000 -0.4612968 -0.6124531), wk = 0.0019724 k( 103) = ( 0.5000000 -0.4552357 -0.6221196), wk = 0.0019724 k( 104) = ( 0.5000000 -0.4491746 -0.6317860), wk = 0.0019724 k( 105) = ( 0.5000000 -0.4431134 -0.6414525), wk = 0.0019724 k( 106) = ( 0.5000000 -0.4370523 -0.6511190), wk = 0.0019724 k( 107) = ( 0.5000000 -0.4309911 -0.6607855), wk = 0.0019724 k( 108) = ( 0.5000000 -0.4249300 -0.6704519), wk = 0.0019724 k( 109) = ( 0.5000000 -0.4188688 -0.6801184), wk = 0.0019724 k( 110) = ( 0.5000000 -0.4128077 -0.6897849), wk = 0.0019724 k( 111) = ( 0.5000000 -0.4067466 -0.6994513), wk = 0.0019724 k( 112) = ( 0.5000000 -0.4006854 -0.7091178), wk = 0.0019724 k( 113) = ( 0.5000000 -0.3946243 -0.7187843), wk = 0.0019724 k( 114) = ( 0.5000000 -0.3885631 -0.7284507), wk = 0.0019724 k( 115) = ( 0.5000000 -0.3825020 -0.7381172), wk = 0.0019724 k( 116) = ( 0.5000000 -0.3764408 -0.7477837), wk = 0.0019724 k( 117) = ( 0.5000000 -0.3703797 -0.7574502), wk = 0.0019724 k( 118) = ( 0.5000000 -0.3643186 -0.7671166), wk = 0.0019724 k( 119) = ( 0.5000000 -0.3582574 -0.7767831), wk = 0.0019724 k( 120) = ( 0.5000000 -0.3521963 -0.7864496), wk = 0.0019724 k( 121) = ( 0.5000000 -0.3461351 -0.7961160), wk = 0.0019724 k( 122) = ( 0.5000000 -0.3400740 -0.8057825), wk = 0.0019724 k( 123) = ( 0.5000000 -0.3340129 -0.8154490), wk = 0.0019724 k( 124) = ( 0.5000000 -0.3279517 -0.8251154), wk = 0.0019724 k( 125) = ( 0.5000000 -0.3218906 -0.8347819), wk = 0.0019724 k( 126) = ( 0.5000000 -0.3158294 -0.8444484), wk = 0.0019724 k( 127) = ( 0.5000000 -0.3097683 -0.8541149), wk = 0.0019724 k( 128) = ( 0.5000000 -0.3037071 -0.8637813), wk = 0.0019724 k( 129) = ( 0.5000000 -0.2976460 -0.8734478), wk = 0.0019724 k( 130) = ( 0.8034183 -0.1887376 -0.6483837), wk = 0.0019724 k( 131) = ( 0.7995283 -0.1840170 -0.6386283), wk = 0.0019724 k( 132) = ( 0.7956383 -0.1792964 -0.6288730), wk = 0.0019724 k( 133) = ( 0.7917483 -0.1745758 -0.6191177), wk = 0.0019724 k( 134) = ( 0.7878584 -0.1698552 -0.6093624), wk = 0.0019724 k( 135) = ( 0.7839684 -0.1651346 -0.5996070), wk = 0.0019724 k( 136) = ( 0.7800784 -0.1604140 -0.5898517), wk = 0.0019724 k( 137) = ( 0.7761884 -0.1556934 -0.5800964), wk = 0.0019724 k( 138) = ( 0.7722984 -0.1509728 -0.5703410), wk = 0.0019724 k( 139) = ( 0.7684085 -0.1462522 -0.5605857), wk = 0.0019724 k( 140) = ( 0.7645185 -0.1415316 -0.5508304), wk = 0.0019724 k( 141) = ( 0.7606285 -0.1368110 -0.5410750), wk = 0.0019724 k( 142) = ( 0.7567385 -0.1320904 -0.5313197), wk = 0.0019724 k( 143) = ( 0.7528485 -0.1273698 -0.5215644), wk = 0.0019724 k( 144) = ( 0.7489586 -0.1226492 -0.5118091), wk = 0.0019724 k( 145) = ( 0.7450686 -0.1179286 -0.5020537), wk = 0.0019724 k( 146) = ( 0.7411786 -0.1132080 -0.4922984), wk = 0.0019724 k( 147) = ( 0.7372886 -0.1084874 -0.4825431), wk = 0.0019724 k( 148) = ( 0.7333987 -0.1037668 -0.4727877), wk = 0.0019724 k( 149) = ( 0.7295087 -0.0990462 -0.4630324), wk = 0.0019724 k( 150) = ( 0.7256187 -0.0943256 -0.4532771), wk = 0.0019724 k( 151) = ( 0.7217287 -0.0896050 -0.4435218), wk = 0.0019724 k( 152) = ( 0.7178387 -0.0848844 -0.4337664), wk = 0.0019724 k( 153) = ( 0.7139488 -0.0801638 -0.4240111), wk = 0.0019724 k( 154) = ( 0.7100588 -0.0754432 -0.4142558), wk = 0.0019724 k( 155) = ( 0.7061688 -0.0707226 -0.4045004), wk = 0.0019724 k( 156) = ( 0.7022788 -0.0660020 -0.3947451), wk = 0.0019724 k( 157) = ( 0.6983889 -0.0612814 -0.3849898), wk = 0.0019724 k( 158) = ( 0.6944989 -0.0565608 -0.3752344), wk = 0.0019724 k( 159) = ( 0.6906089 -0.0518402 -0.3654791), wk = 0.0019724 k( 160) = ( 0.6867189 -0.0471197 -0.3557238), wk = 0.0019724 k( 161) = ( 0.6828289 -0.0423990 -0.3459685), wk = 0.0019724 k( 162) = ( 0.6789390 -0.0376784 -0.3362131), wk = 0.0019724 k( 163) = ( 0.6750490 -0.0329578 -0.3264578), wk = 0.0019724 k( 164) = ( 0.6711590 -0.0282373 -0.3167025), wk = 0.0019724 k( 165) = ( 0.6672690 -0.0235167 -0.3069471), wk = 0.0019724 k( 166) = ( 0.6633791 -0.0187961 -0.2971918), wk = 0.0019724 k( 167) = ( 0.6594891 -0.0140755 -0.2874365), wk = 0.0019724 k( 168) = ( 0.6555991 -0.0093549 -0.2776812), wk = 0.0019724 k( 169) = ( 0.6517091 -0.0046343 -0.2679258), wk = 0.0019724 k( 170) = ( 0.6478192 0.0000863 -0.2581705), wk = 0.0019724 k( 171) = ( 0.6439292 0.0048069 -0.2484151), wk = 0.0019724 k( 172) = ( 0.6400392 0.0095275 -0.2386598), wk = 0.0019724 k( 173) = ( 0.6361492 0.0142481 -0.2289045), wk = 0.0019724 k( 174) = ( 0.6322592 0.0189687 -0.2191492), wk = 0.0019724 k( 175) = ( 0.6283693 0.0236893 -0.2093938), wk = 0.0019724 k( 176) = ( 0.6244793 0.0284099 -0.1996385), wk = 0.0019724 k( 177) = ( 0.6205893 0.0331305 -0.1898832), wk = 0.0019724 k( 178) = ( 0.6166993 0.0378511 -0.1801278), wk = 0.0019724 k( 179) = ( 0.6128094 0.0425717 -0.1703725), wk = 0.0019724 k( 180) = ( 0.6089194 0.0472923 -0.1606172), wk = 0.0019724 k( 181) = ( 0.6050294 0.0520129 -0.1508619), wk = 0.0019724 k( 182) = ( 0.6011394 0.0567335 -0.1411065), wk = 0.0019724 k( 183) = ( 0.5972494 0.0614541 -0.1313512), wk = 0.0019724 k( 184) = ( 0.5933595 0.0661747 -0.1215959), wk = 0.0019724 k( 185) = ( 0.5894695 0.0708953 -0.1118405), wk = 0.0019724 k( 186) = ( 0.5855795 0.0756159 -0.1020852), wk = 0.0019724 k( 187) = ( 0.5816895 0.0803365 -0.0923299), wk = 0.0019724 k( 188) = ( 0.5777996 0.0850571 -0.0825745), wk = 0.0019724 k( 189) = ( 0.5739096 0.0897777 -0.0728192), wk = 0.0019724 k( 190) = ( 0.5700196 0.0944983 -0.0630639), wk = 0.0019724 k( 191) = ( 0.5661296 0.0992189 -0.0533086), wk = 0.0019724 k( 192) = ( 0.5622396 0.1039395 -0.0435532), wk = 0.0019724 k( 193) = ( 0.5583497 0.1086601 -0.0337979), wk = 0.0019724 k( 194) = ( 0.5544597 0.1133807 -0.0240426), wk = 0.0019724 k( 195) = ( 0.5505697 0.1181013 -0.0142872), wk = 0.0019724 k( 196) = ( 0.5466797 0.1228219 -0.0045319), wk = 0.0019724 k( 197) = ( 0.5427897 0.1275425 0.0052234), wk = 0.0019724 k( 198) = ( 0.5388998 0.1322631 0.0149787), wk = 0.0019724 k( 199) = ( 0.5350098 0.1369837 0.0247341), wk = 0.0019724 k( 200) = ( 0.5311198 0.1417043 0.0344894), wk = 0.0019724 k( 201) = ( 0.5272298 0.1464249 0.0442448), wk = 0.0019724 k( 202) = ( 0.5233399 0.1511455 0.0540001), wk = 0.0019724 k( 203) = ( 0.5194499 0.1558661 0.0637554), wk = 0.0019724 k( 204) = ( 0.5155599 0.1605867 0.0735107), wk = 0.0019724 k( 205) = ( 0.5116699 0.1653073 0.0832661), wk = 0.0019724 k( 206) = ( 0.5077800 0.1700279 0.0930214), wk = 0.0019724 k( 207) = ( 0.5038900 0.1747485 0.1027767), wk = 0.0019724 k( 208) = ( 0.5000000 0.1794691 0.1125321), wk = 0.0019724 k( 209) = ( 0.5000000 0.1794691 0.1125321), wk = 0.0019724 k( 210) = ( 0.4893617 0.1756506 0.1101378), wk = 0.0019724 k( 211) = ( 0.4787234 0.1718321 0.1077435), wk = 0.0019724 k( 212) = ( 0.4680851 0.1680136 0.1053492), wk = 0.0019724 k( 213) = ( 0.4574468 0.1641951 0.1029549), wk = 0.0019724 k( 214) = ( 0.4468085 0.1603766 0.1005606), wk = 0.0019724 k( 215) = ( 0.4361702 0.1565581 0.0981663), wk = 0.0019724 k( 216) = ( 0.4255319 0.1527396 0.0957720), wk = 0.0019724 k( 217) = ( 0.4148936 0.1489212 0.0933777), wk = 0.0019724 k( 218) = ( 0.4042553 0.1451027 0.0909834), wk = 0.0019724 k( 219) = ( 0.3936170 0.1412842 0.0885891), wk = 0.0019724 k( 220) = ( 0.3829787 0.1374657 0.0861948), wk = 0.0019724 k( 221) = ( 0.3723404 0.1336472 0.0838005), wk = 0.0019724 k( 222) = ( 0.3617021 0.1298287 0.0814062), wk = 0.0019724 k( 223) = ( 0.3510638 0.1260102 0.0790119), wk = 0.0019724 k( 224) = ( 0.3404255 0.1221917 0.0766176), wk = 0.0019724 k( 225) = ( 0.3297872 0.1183732 0.0742233), wk = 0.0019724 k( 226) = ( 0.3191489 0.1145547 0.0718290), wk = 0.0019724 k( 227) = ( 0.3085106 0.1107362 0.0694347), wk = 0.0019724 k( 228) = ( 0.2978723 0.1069178 0.0670404), wk = 0.0019724 k( 229) = ( 0.2872340 0.1030993 0.0646461), wk = 0.0019724 k( 230) = ( 0.2765957 0.0992808 0.0622518), wk = 0.0019724 k( 231) = ( 0.2659574 0.0954623 0.0598575), wk = 0.0019724 k( 232) = ( 0.2553191 0.0916438 0.0574632), wk = 0.0019724 k( 233) = ( 0.2446809 0.0878253 0.0550689), wk = 0.0019724 k( 234) = ( 0.2340425 0.0840068 0.0526746), wk = 0.0019724 k( 235) = ( 0.2234043 0.0801883 0.0502803), wk = 0.0019724 k( 236) = ( 0.2127660 0.0763698 0.0478860), wk = 0.0019724 k( 237) = ( 0.2021277 0.0725513 0.0454917), wk = 0.0019724 k( 238) = ( 0.1914894 0.0687328 0.0430974), wk = 0.0019724 k( 239) = ( 0.1808511 0.0649143 0.0407031), wk = 0.0019724 k( 240) = ( 0.1702128 0.0610959 0.0383088), wk = 0.0019724 k( 241) = ( 0.1595745 0.0572774 0.0359145), wk = 0.0019724 k( 242) = ( 0.1489362 0.0534589 0.0335202), wk = 0.0019724 k( 243) = ( 0.1382979 0.0496404 0.0311259), wk = 0.0019724 k( 244) = ( 0.1276596 0.0458219 0.0287316), wk = 0.0019724 k( 245) = ( 0.1170213 0.0420034 0.0263373), wk = 0.0019724 k( 246) = ( 0.1063830 0.0381849 0.0239430), wk = 0.0019724 k( 247) = ( 0.0957447 0.0343664 0.0215487), wk = 0.0019724 k( 248) = ( 0.0851064 0.0305479 0.0191544), wk = 0.0019724 k( 249) = ( 0.0744681 0.0267294 0.0167601), wk = 0.0019724 k( 250) = ( 0.0638298 0.0229109 0.0143658), wk = 0.0019724 k( 251) = ( 0.0531915 0.0190925 0.0119715), wk = 0.0019724 k( 252) = ( 0.0425532 0.0152740 0.0095772), wk = 0.0019724 k( 253) = ( 0.0319149 0.0114555 0.0071829), wk = 0.0019724 k( 254) = ( 0.0212766 0.0076370 0.0047886), wk = 0.0019724 k( 255) = ( 0.0106383 0.0038185 0.0023943), wk = 0.0019724 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 258) = ( 0.0038699 -0.0046962 -0.0097050), wk = 0.0019724 k( 259) = ( 0.0077398 -0.0093925 -0.0194100), wk = 0.0019724 k( 260) = ( 0.0116097 -0.0140887 -0.0291149), wk = 0.0019724 k( 261) = ( 0.0154796 -0.0187849 -0.0388199), wk = 0.0019724 k( 262) = ( 0.0193495 -0.0234812 -0.0485249), wk = 0.0019724 k( 263) = ( 0.0232194 -0.0281774 -0.0582298), wk = 0.0019724 k( 264) = ( 0.0270893 -0.0328736 -0.0679348), wk = 0.0019724 k( 265) = ( 0.0309592 -0.0375699 -0.0776398), wk = 0.0019724 k( 266) = ( 0.0348291 -0.0422661 -0.0873448), wk = 0.0019724 k( 267) = ( 0.0386990 -0.0469623 -0.0970498), wk = 0.0019724 k( 268) = ( 0.0425689 -0.0516585 -0.1067547), wk = 0.0019724 k( 269) = ( 0.0464388 -0.0563548 -0.1164597), wk = 0.0019724 k( 270) = ( 0.0503087 -0.0610510 -0.1261647), wk = 0.0019724 k( 271) = ( 0.0541786 -0.0657472 -0.1358697), wk = 0.0019724 k( 272) = ( 0.0580485 -0.0704435 -0.1455746), wk = 0.0019724 k( 273) = ( 0.0619184 -0.0751397 -0.1552796), wk = 0.0019724 k( 274) = ( 0.0657883 -0.0798360 -0.1649846), wk = 0.0019724 k( 275) = ( 0.0696582 -0.0845322 -0.1746895), wk = 0.0019724 k( 276) = ( 0.0735281 -0.0892284 -0.1843945), wk = 0.0019724 k( 277) = ( 0.0773980 -0.0939246 -0.1940995), wk = 0.0019724 k( 278) = ( 0.0812679 -0.0986209 -0.2038045), wk = 0.0019724 k( 279) = ( 0.0851378 -0.1033171 -0.2135095), wk = 0.0019724 k( 280) = ( 0.0890077 -0.1080133 -0.2232144), wk = 0.0019724 k( 281) = ( 0.0928776 -0.1127096 -0.2329194), wk = 0.0019724 k( 282) = ( 0.0967475 -0.1174058 -0.2426244), wk = 0.0019724 k( 283) = ( 0.1006174 -0.1221020 -0.2523294), wk = 0.0019724 k( 284) = ( 0.1044873 -0.1267983 -0.2620343), wk = 0.0019724 k( 285) = ( 0.1083572 -0.1314945 -0.2717393), wk = 0.0019724 k( 286) = ( 0.1122271 -0.1361907 -0.2814443), wk = 0.0019724 k( 287) = ( 0.1160970 -0.1408870 -0.2911493), wk = 0.0019724 k( 288) = ( 0.1199669 -0.1455832 -0.3008542), wk = 0.0019724 k( 289) = ( 0.1238367 -0.1502794 -0.3105592), wk = 0.0019724 k( 290) = ( 0.1277067 -0.1549757 -0.3202642), wk = 0.0019724 k( 291) = ( 0.1315765 -0.1596719 -0.3299692), wk = 0.0019724 k( 292) = ( 0.1354464 -0.1643681 -0.3396741), wk = 0.0019724 k( 293) = ( 0.1393164 -0.1690644 -0.3493791), wk = 0.0019724 k( 294) = ( 0.1431862 -0.1737606 -0.3590841), wk = 0.0019724 k( 295) = ( 0.1470561 -0.1784568 -0.3687891), wk = 0.0019724 k( 296) = ( 0.1509260 -0.1831530 -0.3784940), wk = 0.0019724 k( 297) = ( 0.1547959 -0.1878493 -0.3881990), wk = 0.0019724 k( 298) = ( 0.1586658 -0.1925455 -0.3979040), wk = 0.0019724 k( 299) = ( 0.1625357 -0.1972417 -0.4076090), wk = 0.0019724 k( 300) = ( 0.1664056 -0.2019380 -0.4173139), wk = 0.0019724 k( 301) = ( 0.1702755 -0.2066342 -0.4270189), wk = 0.0019724 k( 302) = ( 0.1741454 -0.2113304 -0.4367239), wk = 0.0019724 k( 303) = ( 0.1780153 -0.2160267 -0.4464289), wk = 0.0019724 k( 304) = ( 0.1818852 -0.2207229 -0.4561338), wk = 0.0019724 k( 305) = ( 0.1857551 -0.2254191 -0.4658388), wk = 0.0019724 k( 306) = ( 0.1896250 -0.2301154 -0.4755438), wk = 0.0019724 k( 307) = ( 0.1934949 -0.2348116 -0.4852488), wk = 0.0019724 k( 308) = ( 0.1973648 -0.2395078 -0.4949537), wk = 0.0019724 k( 309) = ( 0.2012347 -0.2442041 -0.5046587), wk = 0.0019724 k( 310) = ( 0.2051046 -0.2489003 -0.5143637), wk = 0.0019724 k( 311) = ( 0.2089745 -0.2535965 -0.5240687), wk = 0.0019724 k( 312) = ( 0.2128444 -0.2582928 -0.5337736), wk = 0.0019724 k( 313) = ( 0.2167143 -0.2629890 -0.5434786), wk = 0.0019724 k( 314) = ( 0.2205842 -0.2676852 -0.5531836), wk = 0.0019724 k( 315) = ( 0.2244541 -0.2723815 -0.5628886), wk = 0.0019724 k( 316) = ( 0.2283240 -0.2770777 -0.5725936), wk = 0.0019724 k( 317) = ( 0.2321939 -0.2817739 -0.5822985), wk = 0.0019724 k( 318) = ( 0.2360638 -0.2864702 -0.5920035), wk = 0.0019724 k( 319) = ( 0.2399337 -0.2911664 -0.6017085), wk = 0.0019724 k( 320) = ( 0.2438036 -0.2958626 -0.6114134), wk = 0.0019724 k( 321) = ( 0.2476735 -0.3005589 -0.6211184), wk = 0.0019724 k( 322) = ( 0.2515434 -0.3052551 -0.6308234), wk = 0.0019724 k( 323) = ( 0.2554133 -0.3099513 -0.6405284), wk = 0.0019724 k( 324) = ( 0.2592832 -0.3146475 -0.6502333), wk = 0.0019724 k( 325) = ( 0.2631531 -0.3193438 -0.6599383), wk = 0.0019724 k( 326) = ( 0.2670230 -0.3240400 -0.6696433), wk = 0.0019724 k( 327) = ( 0.2708929 -0.3287362 -0.6793483), wk = 0.0019724 k( 328) = ( 0.2747628 -0.3334325 -0.6890533), wk = 0.0019724 k( 329) = ( 0.2786327 -0.3381287 -0.6987582), wk = 0.0019724 k( 330) = ( 0.2825026 -0.3428249 -0.7084632), wk = 0.0019724 k( 331) = ( 0.2863725 -0.3475212 -0.7181682), wk = 0.0019724 k( 332) = ( 0.2902424 -0.3522174 -0.7278731), wk = 0.0019724 k( 333) = ( 0.2941123 -0.3569136 -0.7375781), wk = 0.0019724 k( 334) = ( 0.2979822 -0.3616099 -0.7472831), wk = 0.0019724 k( 335) = ( 0.3018521 -0.3663061 -0.7569881), wk = 0.0019724 k( 336) = ( 0.3057220 -0.3710023 -0.7666931), wk = 0.0019724 k( 337) = ( 0.3095919 -0.3756986 -0.7763980), wk = 0.0019724 k( 338) = ( 0.3134618 -0.3803948 -0.7861030), wk = 0.0019724 k( 339) = ( 0.3173317 -0.3850910 -0.7958080), wk = 0.0019724 k( 340) = ( 0.3212016 -0.3897873 -0.8055129), wk = 0.0019724 k( 341) = ( 0.3250715 -0.3944835 -0.8152179), wk = 0.0019724 k( 342) = ( 0.3289414 -0.3991797 -0.8249229), wk = 0.0019724 k( 343) = ( 0.3328113 -0.4038760 -0.8346279), wk = 0.0019724 k( 344) = ( 0.3366812 -0.4085722 -0.8443329), wk = 0.0019724 k( 345) = ( 0.3405511 -0.4132684 -0.8540378), wk = 0.0019724 k( 346) = ( 0.3444210 -0.4179647 -0.8637428), wk = 0.0019724 k( 347) = ( 0.3482909 -0.4226609 -0.8734478), wk = 0.0019724 k( 348) = ( 0.6517091 -0.2431918 -0.7609157), wk = 0.0019724 k( 349) = ( 0.6478192 -0.2323543 -0.7609157), wk = 0.0019724 k( 350) = ( 0.6439292 -0.2215169 -0.7609157), wk = 0.0019724 k( 351) = ( 0.6400392 -0.2106794 -0.7609157), wk = 0.0019724 k( 352) = ( 0.6361492 -0.1998420 -0.7609157), wk = 0.0019724 k( 353) = ( 0.6322592 -0.1890045 -0.7609157), wk = 0.0019724 k( 354) = ( 0.6283693 -0.1781670 -0.7609157), wk = 0.0019724 k( 355) = ( 0.6244793 -0.1673296 -0.7609157), wk = 0.0019724 k( 356) = ( 0.6205893 -0.1564921 -0.7609157), wk = 0.0019724 k( 357) = ( 0.6166993 -0.1456547 -0.7609157), wk = 0.0019724 k( 358) = ( 0.6128094 -0.1348172 -0.7609157), wk = 0.0019724 k( 359) = ( 0.6089194 -0.1239797 -0.7609157), wk = 0.0019724 k( 360) = ( 0.6050294 -0.1131423 -0.7609157), wk = 0.0019724 k( 361) = ( 0.6011394 -0.1023048 -0.7609157), wk = 0.0019724 k( 362) = ( 0.5972494 -0.0914674 -0.7609157), wk = 0.0019724 k( 363) = ( 0.5933595 -0.0806299 -0.7609157), wk = 0.0019724 k( 364) = ( 0.5894695 -0.0697925 -0.7609157), wk = 0.0019724 k( 365) = ( 0.5855795 -0.0589550 -0.7609157), wk = 0.0019724 k( 366) = ( 0.5816895 -0.0481175 -0.7609157), wk = 0.0019724 k( 367) = ( 0.5777996 -0.0372801 -0.7609157), wk = 0.0019724 k( 368) = ( 0.5739096 -0.0264426 -0.7609157), wk = 0.0019724 k( 369) = ( 0.5700196 -0.0156052 -0.7609157), wk = 0.0019724 k( 370) = ( 0.5661296 -0.0047677 -0.7609157), wk = 0.0019724 k( 371) = ( 0.5622396 0.0060698 -0.7609157), wk = 0.0019724 k( 372) = ( 0.5583497 0.0169072 -0.7609157), wk = 0.0019724 k( 373) = ( 0.5544597 0.0277447 -0.7609157), wk = 0.0019724 k( 374) = ( 0.5505697 0.0385821 -0.7609157), wk = 0.0019724 k( 375) = ( 0.5466797 0.0494196 -0.7609157), wk = 0.0019724 k( 376) = ( 0.5427897 0.0602571 -0.7609157), wk = 0.0019724 k( 377) = ( 0.5388998 0.0710945 -0.7609157), wk = 0.0019724 k( 378) = ( 0.5350098 0.0819320 -0.7609157), wk = 0.0019724 k( 379) = ( 0.5311198 0.0927694 -0.7609157), wk = 0.0019724 k( 380) = ( 0.5272298 0.1036069 -0.7609157), wk = 0.0019724 k( 381) = ( 0.5233399 0.1144443 -0.7609157), wk = 0.0019724 k( 382) = ( 0.5194499 0.1252818 -0.7609157), wk = 0.0019724 k( 383) = ( 0.5155599 0.1361193 -0.7609157), wk = 0.0019724 k( 384) = ( 0.5116699 0.1469567 -0.7609157), wk = 0.0019724 k( 385) = ( 0.5077800 0.1577942 -0.7609157), wk = 0.0019724 k( 386) = ( 0.5038900 0.1686316 -0.7609157), wk = 0.0019724 k( 387) = ( 0.5000000 0.1794691 -0.7609157), wk = 0.0019724 k( 388) = ( 0.5000000 0.1794691 -0.7609157), wk = 0.0019724 k( 389) = ( 0.5089241 0.1826723 -0.7542962), wk = 0.0019724 k( 390) = ( 0.5178481 0.1858755 -0.7476767), wk = 0.0019724 k( 391) = ( 0.5267722 0.1890787 -0.7410571), wk = 0.0019724 k( 392) = ( 0.5356963 0.1922818 -0.7344376), wk = 0.0019724 k( 393) = ( 0.5446203 0.1954850 -0.7278181), wk = 0.0019724 k( 394) = ( 0.5535444 0.1986882 -0.7211985), wk = 0.0019724 k( 395) = ( 0.5624685 0.2018914 -0.7145790), wk = 0.0019724 k( 396) = ( 0.5713925 0.2050946 -0.7079595), wk = 0.0019724 k( 397) = ( 0.5803166 0.2082978 -0.7013399), wk = 0.0019724 k( 398) = ( 0.5892407 0.2115010 -0.6947204), wk = 0.0019724 k( 399) = ( 0.5981647 0.2147042 -0.6881009), wk = 0.0019724 k( 400) = ( 0.6070888 0.2179073 -0.6814813), wk = 0.0019724 k( 401) = ( 0.6160129 0.2211105 -0.6748618), wk = 0.0019724 k( 402) = ( 0.6249369 0.2243137 -0.6682423), wk = 0.0019724 k( 403) = ( 0.6338610 0.2275169 -0.6616227), wk = 0.0019724 k( 404) = ( 0.6427851 0.2307201 -0.6550032), wk = 0.0019724 k( 405) = ( 0.6517091 0.2339233 -0.6483837), wk = 0.0019724 k( 406) = ( 0.6517091 0.2339233 -0.6483837), wk = 0.0019724 k( 407) = ( 0.6494781 0.2331225 -0.6371937), wk = 0.0019724 k( 408) = ( 0.6472471 0.2323217 -0.6260038), wk = 0.0019724 k( 409) = ( 0.6450161 0.2315209 -0.6148139), wk = 0.0019724 k( 410) = ( 0.6427851 0.2307201 -0.6036239), wk = 0.0019724 k( 411) = ( 0.6405540 0.2299193 -0.5924340), wk = 0.0019724 k( 412) = ( 0.6383230 0.2291185 -0.5812441), wk = 0.0019724 k( 413) = ( 0.6360920 0.2283177 -0.5700541), wk = 0.0019724 k( 414) = ( 0.6338610 0.2275169 -0.5588642), wk = 0.0019724 k( 415) = ( 0.6316300 0.2267161 -0.5476742), wk = 0.0019724 k( 416) = ( 0.6293990 0.2259153 -0.5364843), wk = 0.0019724 k( 417) = ( 0.6271680 0.2251145 -0.5252944), wk = 0.0019724 k( 418) = ( 0.6249369 0.2243137 -0.5141044), wk = 0.0019724 k( 419) = ( 0.6227059 0.2235129 -0.5029145), wk = 0.0019724 k( 420) = ( 0.6204749 0.2227121 -0.4917246), wk = 0.0019724 k( 421) = ( 0.6182439 0.2219113 -0.4805346), wk = 0.0019724 k( 422) = ( 0.6160129 0.2211105 -0.4693447), wk = 0.0019724 k( 423) = ( 0.6137818 0.2203097 -0.4581547), wk = 0.0019724 k( 424) = ( 0.6115508 0.2195089 -0.4469648), wk = 0.0019724 k( 425) = ( 0.6093198 0.2187081 -0.4357749), wk = 0.0019724 k( 426) = ( 0.6070888 0.2179073 -0.4245849), wk = 0.0019724 k( 427) = ( 0.6048578 0.2171065 -0.4133950), wk = 0.0019724 k( 428) = ( 0.6026268 0.2163057 -0.4022051), wk = 0.0019724 k( 429) = ( 0.6003958 0.2155050 -0.3910151), wk = 0.0019724 k( 430) = ( 0.5981647 0.2147042 -0.3798252), wk = 0.0019724 k( 431) = ( 0.5959337 0.2139034 -0.3686352), wk = 0.0019724 k( 432) = ( 0.5937027 0.2131026 -0.3574453), wk = 0.0019724 k( 433) = ( 0.5914717 0.2123018 -0.3462554), wk = 0.0019724 k( 434) = ( 0.5892407 0.2115010 -0.3350654), wk = 0.0019724 k( 435) = ( 0.5870097 0.2107002 -0.3238755), wk = 0.0019724 k( 436) = ( 0.5847786 0.2098994 -0.3126856), wk = 0.0019724 k( 437) = ( 0.5825476 0.2090986 -0.3014956), wk = 0.0019724 k( 438) = ( 0.5803166 0.2082978 -0.2903057), wk = 0.0019724 k( 439) = ( 0.5780856 0.2074970 -0.2791157), wk = 0.0019724 k( 440) = ( 0.5758546 0.2066962 -0.2679258), wk = 0.0019724 k( 441) = ( 0.5736235 0.2058954 -0.2567359), wk = 0.0019724 k( 442) = ( 0.5713925 0.2050946 -0.2455459), wk = 0.0019724 k( 443) = ( 0.5691615 0.2042938 -0.2343560), wk = 0.0019724 k( 444) = ( 0.5669305 0.2034930 -0.2231661), wk = 0.0019724 k( 445) = ( 0.5646995 0.2026922 -0.2119761), wk = 0.0019724 k( 446) = ( 0.5624685 0.2018914 -0.2007862), wk = 0.0019724 k( 447) = ( 0.5602375 0.2010906 -0.1895963), wk = 0.0019724 k( 448) = ( 0.5580064 0.2002898 -0.1784063), wk = 0.0019724 k( 449) = ( 0.5557754 0.1994890 -0.1672164), wk = 0.0019724 k( 450) = ( 0.5535444 0.1986882 -0.1560264), wk = 0.0019724 k( 451) = ( 0.5513134 0.1978874 -0.1448365), wk = 0.0019724 k( 452) = ( 0.5490824 0.1970866 -0.1336466), wk = 0.0019724 k( 453) = ( 0.5468513 0.1962858 -0.1224566), wk = 0.0019724 k( 454) = ( 0.5446203 0.1954850 -0.1112667), wk = 0.0019724 k( 455) = ( 0.5423893 0.1946842 -0.1000768), wk = 0.0019724 k( 456) = ( 0.5401583 0.1938834 -0.0888868), wk = 0.0019724 k( 457) = ( 0.5379273 0.1930826 -0.0776969), wk = 0.0019724 k( 458) = ( 0.5356963 0.1922818 -0.0665069), wk = 0.0019724 k( 459) = ( 0.5334653 0.1914810 -0.0553170), wk = 0.0019724 k( 460) = ( 0.5312342 0.1906802 -0.0441271), wk = 0.0019724 k( 461) = ( 0.5290032 0.1898794 -0.0329371), wk = 0.0019724 k( 462) = ( 0.5267722 0.1890787 -0.0217472), wk = 0.0019724 k( 463) = ( 0.5245412 0.1882779 -0.0105572), wk = 0.0019724 k( 464) = ( 0.5223102 0.1874771 0.0006327), wk = 0.0019724 k( 465) = ( 0.5200792 0.1866763 0.0118226), wk = 0.0019724 k( 466) = ( 0.5178481 0.1858755 0.0230126), wk = 0.0019724 k( 467) = ( 0.5156171 0.1850747 0.0342025), wk = 0.0019724 k( 468) = ( 0.5133861 0.1842739 0.0453924), wk = 0.0019724 k( 469) = ( 0.5111551 0.1834731 0.0565824), wk = 0.0019724 k( 470) = ( 0.5089241 0.1826723 0.0677723), wk = 0.0019724 k( 471) = ( 0.5066930 0.1818715 0.0789622), wk = 0.0019724 k( 472) = ( 0.5044620 0.1810707 0.0901522), wk = 0.0019724 k( 473) = ( 0.5022310 0.1802699 0.1013421), wk = 0.0019724 k( 474) = ( 0.5000000 0.1794691 0.1125321), wk = 0.0019724 k( 475) = ( 0.5000000 -0.6067642 -0.3804579), wk = 0.0019724 k( 476) = ( 0.5094818 -0.6011558 -0.3769412), wk = 0.0019724 k( 477) = ( 0.5189636 -0.5955474 -0.3734246), wk = 0.0019724 k( 478) = ( 0.5284455 -0.5899390 -0.3699080), wk = 0.0019724 k( 479) = ( 0.5379273 -0.5843306 -0.3663914), wk = 0.0019724 k( 480) = ( 0.5474091 -0.5787222 -0.3628747), wk = 0.0019724 k( 481) = ( 0.5568909 -0.5731138 -0.3593581), wk = 0.0019724 k( 482) = ( 0.5663727 -0.5675054 -0.3558415), wk = 0.0019724 k( 483) = ( 0.5758546 -0.5618970 -0.3523248), wk = 0.0019724 k( 484) = ( 0.5853364 -0.5562885 -0.3488082), wk = 0.0019724 k( 485) = ( 0.5948182 -0.5506801 -0.3452916), wk = 0.0019724 k( 486) = ( 0.6043000 -0.5450717 -0.3417750), wk = 0.0019724 k( 487) = ( 0.6137818 -0.5394633 -0.3382583), wk = 0.0019724 k( 488) = ( 0.6232637 -0.5338549 -0.3347417), wk = 0.0019724 k( 489) = ( 0.6327455 -0.5282465 -0.3312251), wk = 0.0019724 k( 490) = ( 0.6422273 -0.5226381 -0.3277085), wk = 0.0019724 k( 491) = ( 0.6517091 -0.5170297 -0.3241918), wk = 0.0019724 k( 492) = ( 0.6611910 -0.5114213 -0.3206752), wk = 0.0019724 k( 493) = ( 0.6706728 -0.5058129 -0.3171586), wk = 0.0019724 k( 494) = ( 0.6801546 -0.5002045 -0.3136420), wk = 0.0019724 k( 495) = ( 0.6896364 -0.4945960 -0.3101253), wk = 0.0019724 k( 496) = ( 0.6991182 -0.4889877 -0.3066087), wk = 0.0019724 k( 497) = ( 0.7086001 -0.4833792 -0.3030921), wk = 0.0019724 k( 498) = ( 0.7180819 -0.4777708 -0.2995755), wk = 0.0019724 k( 499) = ( 0.7275637 -0.4721624 -0.2960588), wk = 0.0019724 k( 500) = ( 0.7370455 -0.4665540 -0.2925422), wk = 0.0019724 k( 501) = ( 0.7465273 -0.4609456 -0.2890256), wk = 0.0019724 k( 502) = ( 0.7560092 -0.4553372 -0.2855089), wk = 0.0019724 k( 503) = ( 0.7654910 -0.4497288 -0.2819923), wk = 0.0019724 k( 504) = ( 0.7749728 -0.4441204 -0.2784757), wk = 0.0019724 k( 505) = ( 0.7844546 -0.4385120 -0.2749591), wk = 0.0019724 k( 506) = ( 0.7939364 -0.4329036 -0.2714424), wk = 0.0019724 k( 507) = ( 0.8034183 -0.4272952 -0.2679258), wk = 0.0019724 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 2) = ( 0.0065790 -0.0000000 -0.0000000), wk = 0.0019724 k( 3) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0019724 k( 4) = ( 0.0197368 -0.0000000 -0.0000000), wk = 0.0019724 k( 5) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0019724 k( 6) = ( 0.0328947 0.0000000 -0.0000000), wk = 0.0019724 k( 7) = ( 0.0394737 -0.0000000 -0.0000000), wk = 0.0019724 k( 8) = ( 0.0460526 -0.0000000 -0.0000000), wk = 0.0019724 k( 9) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0019724 k( 10) = ( 0.0592105 -0.0000000 -0.0000000), wk = 0.0019724 k( 11) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0019724 k( 12) = ( 0.0723684 -0.0000000 -0.0000000), wk = 0.0019724 k( 13) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0019724 k( 14) = ( 0.0855263 -0.0000000 -0.0000000), wk = 0.0019724 k( 15) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0019724 k( 16) = ( 0.0986842 -0.0000000 -0.0000000), wk = 0.0019724 k( 17) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0019724 k( 18) = ( 0.1118421 -0.0000000 -0.0000000), wk = 0.0019724 k( 19) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0019724 k( 20) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0019724 k( 21) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0019724 k( 22) = ( 0.1381579 -0.0000000 -0.0000000), wk = 0.0019724 k( 23) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0019724 k( 24) = ( 0.1513158 -0.0000000 -0.0000000), wk = 0.0019724 k( 25) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0019724 k( 26) = ( 0.1644737 -0.0000000 -0.0000000), wk = 0.0019724 k( 27) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0019724 k( 28) = ( 0.1776316 -0.0000000 -0.0000000), wk = 0.0019724 k( 29) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0019724 k( 30) = ( 0.1907895 -0.0000000 -0.0000000), wk = 0.0019724 k( 31) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0019724 k( 32) = ( 0.2039474 -0.0000000 -0.0000000), wk = 0.0019724 k( 33) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0019724 k( 34) = ( 0.2171053 -0.0000000 -0.0000000), wk = 0.0019724 k( 35) = ( 0.2236842 0.0000000 -0.0000000), wk = 0.0019724 k( 36) = ( 0.2302632 -0.0000000 -0.0000000), wk = 0.0019724 k( 37) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0019724 k( 38) = ( 0.2434210 -0.0000000 -0.0000000), wk = 0.0019724 k( 39) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0019724 k( 40) = ( 0.2565789 -0.0000000 -0.0000000), wk = 0.0019724 k( 41) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0019724 k( 42) = ( 0.2697368 -0.0000000 -0.0000000), wk = 0.0019724 k( 43) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0019724 k( 44) = ( 0.2828947 -0.0000000 -0.0000000), wk = 0.0019724 k( 45) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0019724 k( 46) = ( 0.2960526 -0.0000000 -0.0000000), wk = 0.0019724 k( 47) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0019724 k( 48) = ( 0.3092105 0.0000000 0.0000000), wk = 0.0019724 k( 49) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0019724 k( 50) = ( 0.3223684 -0.0000000 -0.0000000), wk = 0.0019724 k( 51) = ( 0.3289474 -0.0000000 -0.0000000), wk = 0.0019724 k( 52) = ( 0.3355263 -0.0000000 -0.0000000), wk = 0.0019724 k( 53) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0019724 k( 54) = ( 0.3486842 -0.0000000 -0.0000000), wk = 0.0019724 k( 55) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0019724 k( 56) = ( 0.3618421 -0.0000000 -0.0000000), wk = 0.0019724 k( 57) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0019724 k( 58) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0019724 k( 59) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0019724 k( 60) = ( 0.3881579 -0.0000000 -0.0000000), wk = 0.0019724 k( 61) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0019724 k( 62) = ( 0.4013158 -0.0000000 -0.0000000), wk = 0.0019724 k( 63) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0019724 k( 64) = ( 0.4144737 -0.0000000 -0.0000000), wk = 0.0019724 k( 65) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0019724 k( 66) = ( 0.4276316 -0.0000000 -0.0000000), wk = 0.0019724 k( 67) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0019724 k( 68) = ( 0.4407895 -0.0000000 -0.0000000), wk = 0.0019724 k( 69) = ( 0.4473684 0.0000000 -0.0000000), wk = 0.0019724 k( 70) = ( 0.4539474 -0.0000000 -0.0000000), wk = 0.0019724 k( 71) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0019724 k( 72) = ( 0.4671053 -0.0000000 -0.0000000), wk = 0.0019724 k( 73) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0019724 k( 74) = ( 0.4802632 -0.0000000 -0.0000000), wk = 0.0019724 k( 75) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0019724 k( 76) = ( 0.4934211 -0.0000000 -0.0000000), wk = 0.0019724 k( 77) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019724 k( 78) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019724 k( 79) = ( 0.5000000 0.0038545 -0.0038545), wk = 0.0019724 k( 80) = ( 0.5000000 0.0077091 -0.0077091), wk = 0.0019724 k( 81) = ( 0.5000000 0.0115636 -0.0115636), wk = 0.0019724 k( 82) = ( 0.5000000 0.0154182 -0.0154182), wk = 0.0019724 k( 83) = ( 0.5000000 0.0192727 -0.0192727), wk = 0.0019724 k( 84) = ( 0.5000000 0.0231273 -0.0231273), wk = 0.0019724 k( 85) = ( 0.5000000 0.0269818 -0.0269818), wk = 0.0019724 k( 86) = ( 0.5000000 0.0308363 -0.0308364), wk = 0.0019724 k( 87) = ( 0.5000000 0.0346909 -0.0346909), wk = 0.0019724 k( 88) = ( 0.5000000 0.0385454 -0.0385454), wk = 0.0019724 k( 89) = ( 0.5000000 0.0424000 -0.0424000), wk = 0.0019724 k( 90) = ( 0.5000000 0.0462545 -0.0462545), wk = 0.0019724 k( 91) = ( 0.5000000 0.0501091 -0.0501091), wk = 0.0019724 k( 92) = ( 0.5000000 0.0539636 -0.0539636), wk = 0.0019724 k( 93) = ( 0.5000000 0.0578182 -0.0578182), wk = 0.0019724 k( 94) = ( 0.5000000 0.0616727 -0.0616727), wk = 0.0019724 k( 95) = ( 0.5000000 0.0655272 -0.0655273), wk = 0.0019724 k( 96) = ( 0.5000000 0.0693818 -0.0693818), wk = 0.0019724 k( 97) = ( 0.5000000 0.0732363 -0.0732363), wk = 0.0019724 k( 98) = ( 0.5000000 0.0770909 -0.0770909), wk = 0.0019724 k( 99) = ( 0.5000000 0.0809454 -0.0809454), wk = 0.0019724 k( 100) = ( 0.5000000 0.0848000 -0.0848000), wk = 0.0019724 k( 101) = ( 0.5000000 0.0886545 -0.0886545), wk = 0.0019724 k( 102) = ( 0.5000000 0.0925091 -0.0925091), wk = 0.0019724 k( 103) = ( 0.5000000 0.0963636 -0.0963636), wk = 0.0019724 k( 104) = ( 0.5000000 0.1002181 -0.1002181), wk = 0.0019724 k( 105) = ( 0.5000000 0.1040727 -0.1040727), wk = 0.0019724 k( 106) = ( 0.5000000 0.1079272 -0.1079272), wk = 0.0019724 k( 107) = ( 0.5000000 0.1117818 -0.1117818), wk = 0.0019724 k( 108) = ( 0.5000000 0.1156363 -0.1156363), wk = 0.0019724 k( 109) = ( 0.5000000 0.1194909 -0.1194909), wk = 0.0019724 k( 110) = ( 0.5000000 0.1233454 -0.1233454), wk = 0.0019724 k( 111) = ( 0.5000000 0.1271999 -0.1272000), wk = 0.0019724 k( 112) = ( 0.5000000 0.1310545 -0.1310545), wk = 0.0019724 k( 113) = ( 0.5000000 0.1349090 -0.1349090), wk = 0.0019724 k( 114) = ( 0.5000000 0.1387636 -0.1387636), wk = 0.0019724 k( 115) = ( 0.5000000 0.1426181 -0.1426181), wk = 0.0019724 k( 116) = ( 0.5000000 0.1464727 -0.1464727), wk = 0.0019724 k( 117) = ( 0.5000000 0.1503272 -0.1503272), wk = 0.0019724 k( 118) = ( 0.5000000 0.1541818 -0.1541818), wk = 0.0019724 k( 119) = ( 0.5000000 0.1580363 -0.1580363), wk = 0.0019724 k( 120) = ( 0.5000000 0.1618908 -0.1618909), wk = 0.0019724 k( 121) = ( 0.5000000 0.1657454 -0.1657454), wk = 0.0019724 k( 122) = ( 0.5000000 0.1695999 -0.1695999), wk = 0.0019724 k( 123) = ( 0.5000000 0.1734545 -0.1734545), wk = 0.0019724 k( 124) = ( 0.5000000 0.1773090 -0.1773090), wk = 0.0019724 k( 125) = ( 0.5000000 0.1811636 -0.1811636), wk = 0.0019724 k( 126) = ( 0.5000000 0.1850181 -0.1850181), wk = 0.0019724 k( 127) = ( 0.5000000 0.1888727 -0.1888727), wk = 0.0019724 k( 128) = ( 0.5000000 0.1927272 -0.1927272), wk = 0.0019724 k( 129) = ( 0.5000000 0.1965817 -0.1965817), wk = 0.0019724 k( 130) = ( 0.8034183 0.5000000 0.1965817), wk = 0.0019724 k( 131) = ( 0.7995283 0.5000000 0.2004717), wk = 0.0019724 k( 132) = ( 0.7956383 0.5000000 0.2043617), wk = 0.0019724 k( 133) = ( 0.7917483 0.5000000 0.2082517), wk = 0.0019724 k( 134) = ( 0.7878584 0.5000000 0.2121416), wk = 0.0019724 k( 135) = ( 0.7839684 0.5000000 0.2160316), wk = 0.0019724 k( 136) = ( 0.7800784 0.5000000 0.2199216), wk = 0.0019724 k( 137) = ( 0.7761884 0.5000000 0.2238116), wk = 0.0019724 k( 138) = ( 0.7722984 0.5000000 0.2277016), wk = 0.0019724 k( 139) = ( 0.7684085 0.5000000 0.2315915), wk = 0.0019724 k( 140) = ( 0.7645185 0.5000000 0.2354815), wk = 0.0019724 k( 141) = ( 0.7606285 0.5000000 0.2393715), wk = 0.0019724 k( 142) = ( 0.7567385 0.5000000 0.2432615), wk = 0.0019724 k( 143) = ( 0.7528485 0.5000000 0.2471514), wk = 0.0019724 k( 144) = ( 0.7489586 0.5000000 0.2510414), wk = 0.0019724 k( 145) = ( 0.7450686 0.5000000 0.2549314), wk = 0.0019724 k( 146) = ( 0.7411786 0.5000000 0.2588214), wk = 0.0019724 k( 147) = ( 0.7372886 0.5000000 0.2627114), wk = 0.0019724 k( 148) = ( 0.7333987 0.5000000 0.2666013), wk = 0.0019724 k( 149) = ( 0.7295087 0.5000000 0.2704913), wk = 0.0019724 k( 150) = ( 0.7256187 0.5000000 0.2743813), wk = 0.0019724 k( 151) = ( 0.7217287 0.5000000 0.2782713), wk = 0.0019724 k( 152) = ( 0.7178387 0.5000000 0.2821612), wk = 0.0019724 k( 153) = ( 0.7139488 0.5000000 0.2860512), wk = 0.0019724 k( 154) = ( 0.7100588 0.5000000 0.2899412), wk = 0.0019724 k( 155) = ( 0.7061688 0.5000000 0.2938312), wk = 0.0019724 k( 156) = ( 0.7022788 0.5000000 0.2977212), wk = 0.0019724 k( 157) = ( 0.6983889 0.5000000 0.3016111), wk = 0.0019724 k( 158) = ( 0.6944989 0.5000000 0.3055011), wk = 0.0019724 k( 159) = ( 0.6906089 0.5000000 0.3093911), wk = 0.0019724 k( 160) = ( 0.6867189 0.5000000 0.3132811), wk = 0.0019724 k( 161) = ( 0.6828289 0.5000000 0.3171711), wk = 0.0019724 k( 162) = ( 0.6789390 0.5000000 0.3210610), wk = 0.0019724 k( 163) = ( 0.6750490 0.5000000 0.3249510), wk = 0.0019724 k( 164) = ( 0.6711590 0.5000000 0.3288410), wk = 0.0019724 k( 165) = ( 0.6672690 0.5000000 0.3327310), wk = 0.0019724 k( 166) = ( 0.6633791 0.5000000 0.3366209), wk = 0.0019724 k( 167) = ( 0.6594891 0.5000000 0.3405109), wk = 0.0019724 k( 168) = ( 0.6555991 0.5000000 0.3444009), wk = 0.0019724 k( 169) = ( 0.6517091 0.5000000 0.3482909), wk = 0.0019724 k( 170) = ( 0.6478192 0.5000000 0.3521808), wk = 0.0019724 k( 171) = ( 0.6439292 0.5000000 0.3560708), wk = 0.0019724 k( 172) = ( 0.6400392 0.5000000 0.3599608), wk = 0.0019724 k( 173) = ( 0.6361492 0.5000000 0.3638508), wk = 0.0019724 k( 174) = ( 0.6322592 0.5000000 0.3677408), wk = 0.0019724 k( 175) = ( 0.6283693 0.5000000 0.3716307), wk = 0.0019724 k( 176) = ( 0.6244793 0.5000000 0.3755207), wk = 0.0019724 k( 177) = ( 0.6205893 0.5000000 0.3794107), wk = 0.0019724 k( 178) = ( 0.6166993 0.5000000 0.3833007), wk = 0.0019724 k( 179) = ( 0.6128094 0.5000000 0.3871906), wk = 0.0019724 k( 180) = ( 0.6089194 0.5000000 0.3910806), wk = 0.0019724 k( 181) = ( 0.6050294 0.5000000 0.3949706), wk = 0.0019724 k( 182) = ( 0.6011394 0.5000000 0.3988606), wk = 0.0019724 k( 183) = ( 0.5972494 0.5000000 0.4027506), wk = 0.0019724 k( 184) = ( 0.5933595 0.5000000 0.4066405), wk = 0.0019724 k( 185) = ( 0.5894695 0.5000000 0.4105305), wk = 0.0019724 k( 186) = ( 0.5855795 0.5000000 0.4144205), wk = 0.0019724 k( 187) = ( 0.5816895 0.5000000 0.4183105), wk = 0.0019724 k( 188) = ( 0.5777996 0.5000000 0.4222005), wk = 0.0019724 k( 189) = ( 0.5739096 0.5000000 0.4260904), wk = 0.0019724 k( 190) = ( 0.5700196 0.5000000 0.4299804), wk = 0.0019724 k( 191) = ( 0.5661296 0.5000000 0.4338704), wk = 0.0019724 k( 192) = ( 0.5622396 0.5000000 0.4377604), wk = 0.0019724 k( 193) = ( 0.5583497 0.5000000 0.4416503), wk = 0.0019724 k( 194) = ( 0.5544597 0.5000000 0.4455403), wk = 0.0019724 k( 195) = ( 0.5505697 0.5000000 0.4494303), wk = 0.0019724 k( 196) = ( 0.5466797 0.5000000 0.4533203), wk = 0.0019724 k( 197) = ( 0.5427897 0.5000000 0.4572103), wk = 0.0019724 k( 198) = ( 0.5388998 0.5000000 0.4611002), wk = 0.0019724 k( 199) = ( 0.5350098 0.5000000 0.4649902), wk = 0.0019724 k( 200) = ( 0.5311198 0.5000000 0.4688802), wk = 0.0019724 k( 201) = ( 0.5272298 0.5000000 0.4727702), wk = 0.0019724 k( 202) = ( 0.5233399 0.5000000 0.4766601), wk = 0.0019724 k( 203) = ( 0.5194499 0.5000000 0.4805501), wk = 0.0019724 k( 204) = ( 0.5155599 0.5000000 0.4844401), wk = 0.0019724 k( 205) = ( 0.5116699 0.5000000 0.4883301), wk = 0.0019724 k( 206) = ( 0.5077800 0.5000000 0.4922200), wk = 0.0019724 k( 207) = ( 0.5038900 0.5000000 0.4961100), wk = 0.0019724 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019724 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019724 k( 210) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0019724 k( 211) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0019724 k( 212) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0019724 k( 213) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0019724 k( 214) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0019724 k( 215) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0019724 k( 216) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0019724 k( 217) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0019724 k( 218) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0019724 k( 219) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0019724 k( 220) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0019724 k( 221) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0019724 k( 222) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0019724 k( 223) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0019724 k( 224) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0019724 k( 225) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0019724 k( 226) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0019724 k( 227) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0019724 k( 228) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0019724 k( 229) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0019724 k( 230) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0019724 k( 231) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0019724 k( 232) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0019724 k( 233) = ( 0.2446809 0.2446809 0.2446809), wk = 0.0019724 k( 234) = ( 0.2340425 0.2340425 0.2340426), wk = 0.0019724 k( 235) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0019724 k( 236) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0019724 k( 237) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0019724 k( 238) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0019724 k( 239) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0019724 k( 240) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0019724 k( 241) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0019724 k( 242) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0019724 k( 243) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0019724 k( 244) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0019724 k( 245) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0019724 k( 246) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0019724 k( 247) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0019724 k( 248) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0019724 k( 249) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0019724 k( 250) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0019724 k( 251) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0019724 k( 252) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0019724 k( 253) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0019724 k( 254) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0019724 k( 255) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0019724 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019724 k( 258) = ( 0.0038699 -0.0000000 -0.0038699), wk = 0.0019724 k( 259) = ( 0.0077398 -0.0000000 -0.0077398), wk = 0.0019724 k( 260) = ( 0.0116097 -0.0000000 -0.0116097), wk = 0.0019724 k( 261) = ( 0.0154796 -0.0000000 -0.0154796), wk = 0.0019724 k( 262) = ( 0.0193495 -0.0000000 -0.0193495), wk = 0.0019724 k( 263) = ( 0.0232194 -0.0000000 -0.0232194), wk = 0.0019724 k( 264) = ( 0.0270893 -0.0000000 -0.0270893), wk = 0.0019724 k( 265) = ( 0.0309592 -0.0000000 -0.0309592), wk = 0.0019724 k( 266) = ( 0.0348291 -0.0000000 -0.0348291), wk = 0.0019724 k( 267) = ( 0.0386990 0.0000000 -0.0386990), wk = 0.0019724 k( 268) = ( 0.0425689 -0.0000000 -0.0425689), wk = 0.0019724 k( 269) = ( 0.0464388 -0.0000000 -0.0464388), wk = 0.0019724 k( 270) = ( 0.0503087 -0.0000000 -0.0503087), wk = 0.0019724 k( 271) = ( 0.0541786 -0.0000000 -0.0541786), wk = 0.0019724 k( 272) = ( 0.0580485 -0.0000000 -0.0580485), wk = 0.0019724 k( 273) = ( 0.0619184 -0.0000000 -0.0619184), wk = 0.0019724 k( 274) = ( 0.0657883 -0.0000000 -0.0657883), wk = 0.0019724 k( 275) = ( 0.0696582 -0.0000000 -0.0696582), wk = 0.0019724 k( 276) = ( 0.0735281 -0.0000000 -0.0735281), wk = 0.0019724 k( 277) = ( 0.0773980 -0.0000000 -0.0773980), wk = 0.0019724 k( 278) = ( 0.0812679 -0.0000000 -0.0812679), wk = 0.0019724 k( 279) = ( 0.0851378 -0.0000000 -0.0851378), wk = 0.0019724 k( 280) = ( 0.0890077 -0.0000000 -0.0890077), wk = 0.0019724 k( 281) = ( 0.0928776 -0.0000000 -0.0928776), wk = 0.0019724 k( 282) = ( 0.0967475 -0.0000000 -0.0967475), wk = 0.0019724 k( 283) = ( 0.1006174 -0.0000000 -0.1006174), wk = 0.0019724 k( 284) = ( 0.1044873 -0.0000000 -0.1044873), wk = 0.0019724 k( 285) = ( 0.1083572 -0.0000000 -0.1083572), wk = 0.0019724 k( 286) = ( 0.1122271 -0.0000000 -0.1122271), wk = 0.0019724 k( 287) = ( 0.1160970 -0.0000000 -0.1160970), wk = 0.0019724 k( 288) = ( 0.1199669 -0.0000000 -0.1199669), wk = 0.0019724 k( 289) = ( 0.1238367 -0.0000000 -0.1238368), wk = 0.0019724 k( 290) = ( 0.1277067 -0.0000000 -0.1277067), wk = 0.0019724 k( 291) = ( 0.1315765 -0.0000000 -0.1315765), wk = 0.0019724 k( 292) = ( 0.1354464 -0.0000000 -0.1354465), wk = 0.0019724 k( 293) = ( 0.1393164 -0.0000000 -0.1393164), wk = 0.0019724 k( 294) = ( 0.1431862 -0.0000000 -0.1431863), wk = 0.0019724 k( 295) = ( 0.1470561 -0.0000000 -0.1470562), wk = 0.0019724 k( 296) = ( 0.1509260 -0.0000000 -0.1509260), wk = 0.0019724 k( 297) = ( 0.1547959 -0.0000000 -0.1547959), wk = 0.0019724 k( 298) = ( 0.1586658 -0.0000000 -0.1586658), wk = 0.0019724 k( 299) = ( 0.1625357 -0.0000000 -0.1625357), wk = 0.0019724 k( 300) = ( 0.1664056 -0.0000000 -0.1664056), wk = 0.0019724 k( 301) = ( 0.1702755 -0.0000000 -0.1702755), wk = 0.0019724 k( 302) = ( 0.1741454 -0.0000000 -0.1741454), wk = 0.0019724 k( 303) = ( 0.1780153 -0.0000000 -0.1780153), wk = 0.0019724 k( 304) = ( 0.1818852 -0.0000000 -0.1818852), wk = 0.0019724 k( 305) = ( 0.1857551 -0.0000000 -0.1857551), wk = 0.0019724 k( 306) = ( 0.1896250 -0.0000000 -0.1896250), wk = 0.0019724 k( 307) = ( 0.1934949 -0.0000000 -0.1934949), wk = 0.0019724 k( 308) = ( 0.1973648 -0.0000000 -0.1973648), wk = 0.0019724 k( 309) = ( 0.2012347 -0.0000000 -0.2012347), wk = 0.0019724 k( 310) = ( 0.2051046 -0.0000000 -0.2051046), wk = 0.0019724 k( 311) = ( 0.2089745 -0.0000000 -0.2089745), wk = 0.0019724 k( 312) = ( 0.2128444 -0.0000000 -0.2128444), wk = 0.0019724 k( 313) = ( 0.2167143 -0.0000000 -0.2167143), wk = 0.0019724 k( 314) = ( 0.2205842 -0.0000000 -0.2205842), wk = 0.0019724 k( 315) = ( 0.2244541 -0.0000000 -0.2244541), wk = 0.0019724 k( 316) = ( 0.2283240 0.0000000 -0.2283240), wk = 0.0019724 k( 317) = ( 0.2321939 -0.0000000 -0.2321939), wk = 0.0019724 k( 318) = ( 0.2360638 0.0000000 -0.2360638), wk = 0.0019724 k( 319) = ( 0.2399337 -0.0000000 -0.2399337), wk = 0.0019724 k( 320) = ( 0.2438036 -0.0000000 -0.2438036), wk = 0.0019724 k( 321) = ( 0.2476735 -0.0000000 -0.2476735), wk = 0.0019724 k( 322) = ( 0.2515434 -0.0000000 -0.2515434), wk = 0.0019724 k( 323) = ( 0.2554133 -0.0000000 -0.2554133), wk = 0.0019724 k( 324) = ( 0.2592832 -0.0000000 -0.2592832), wk = 0.0019724 k( 325) = ( 0.2631531 -0.0000000 -0.2631531), wk = 0.0019724 k( 326) = ( 0.2670230 -0.0000000 -0.2670230), wk = 0.0019724 k( 327) = ( 0.2708929 -0.0000000 -0.2708929), wk = 0.0019724 k( 328) = ( 0.2747628 -0.0000000 -0.2747628), wk = 0.0019724 k( 329) = ( 0.2786327 -0.0000000 -0.2786327), wk = 0.0019724 k( 330) = ( 0.2825026 -0.0000000 -0.2825026), wk = 0.0019724 k( 331) = ( 0.2863725 0.0000000 -0.2863725), wk = 0.0019724 k( 332) = ( 0.2902424 -0.0000000 -0.2902424), wk = 0.0019724 k( 333) = ( 0.2941123 -0.0000000 -0.2941123), wk = 0.0019724 k( 334) = ( 0.2979822 -0.0000000 -0.2979822), wk = 0.0019724 k( 335) = ( 0.3018521 -0.0000000 -0.3018521), wk = 0.0019724 k( 336) = ( 0.3057220 -0.0000000 -0.3057220), wk = 0.0019724 k( 337) = ( 0.3095919 -0.0000000 -0.3095919), wk = 0.0019724 k( 338) = ( 0.3134618 -0.0000000 -0.3134618), wk = 0.0019724 k( 339) = ( 0.3173317 -0.0000000 -0.3173317), wk = 0.0019724 k( 340) = ( 0.3212016 -0.0000000 -0.3212016), wk = 0.0019724 k( 341) = ( 0.3250715 -0.0000000 -0.3250715), wk = 0.0019724 k( 342) = ( 0.3289414 -0.0000000 -0.3289414), wk = 0.0019724 k( 343) = ( 0.3328113 -0.0000000 -0.3328113), wk = 0.0019724 k( 344) = ( 0.3366812 -0.0000000 -0.3366812), wk = 0.0019724 k( 345) = ( 0.3405511 -0.0000000 -0.3405511), wk = 0.0019724 k( 346) = ( 0.3444210 -0.0000000 -0.3444210), wk = 0.0019724 k( 347) = ( 0.3482909 -0.0000000 -0.3482909), wk = 0.0019724 k( 348) = ( 0.6517091 0.3482909 -0.0000000), wk = 0.0019724 k( 349) = ( 0.6478192 0.3521808 -0.0000000), wk = 0.0019724 k( 350) = ( 0.6439292 0.3560708 -0.0000000), wk = 0.0019724 k( 351) = ( 0.6400392 0.3599608 -0.0000000), wk = 0.0019724 k( 352) = ( 0.6361492 0.3638508 -0.0000000), wk = 0.0019724 k( 353) = ( 0.6322592 0.3677408 -0.0000000), wk = 0.0019724 k( 354) = ( 0.6283693 0.3716307 -0.0000000), wk = 0.0019724 k( 355) = ( 0.6244793 0.3755207 -0.0000000), wk = 0.0019724 k( 356) = ( 0.6205893 0.3794107 -0.0000000), wk = 0.0019724 k( 357) = ( 0.6166993 0.3833007 0.0000000), wk = 0.0019724 k( 358) = ( 0.6128094 0.3871906 -0.0000000), wk = 0.0019724 k( 359) = ( 0.6089194 0.3910806 -0.0000000), wk = 0.0019724 k( 360) = ( 0.6050294 0.3949706 -0.0000000), wk = 0.0019724 k( 361) = ( 0.6011394 0.3988606 0.0000000), wk = 0.0019724 k( 362) = ( 0.5972494 0.4027506 -0.0000000), wk = 0.0019724 k( 363) = ( 0.5933595 0.4066405 -0.0000000), wk = 0.0019724 k( 364) = ( 0.5894695 0.4105305 -0.0000000), wk = 0.0019724 k( 365) = ( 0.5855795 0.4144205 -0.0000000), wk = 0.0019724 k( 366) = ( 0.5816895 0.4183105 -0.0000000), wk = 0.0019724 k( 367) = ( 0.5777996 0.4222004 -0.0000000), wk = 0.0019724 k( 368) = ( 0.5739096 0.4260904 -0.0000000), wk = 0.0019724 k( 369) = ( 0.5700196 0.4299804 -0.0000000), wk = 0.0019724 k( 370) = ( 0.5661296 0.4338704 -0.0000000), wk = 0.0019724 k( 371) = ( 0.5622396 0.4377604 0.0000000), wk = 0.0019724 k( 372) = ( 0.5583497 0.4416503 -0.0000000), wk = 0.0019724 k( 373) = ( 0.5544597 0.4455403 -0.0000000), wk = 0.0019724 k( 374) = ( 0.5505697 0.4494303 -0.0000000), wk = 0.0019724 k( 375) = ( 0.5466797 0.4533203 0.0000000), wk = 0.0019724 k( 376) = ( 0.5427897 0.4572102 -0.0000000), wk = 0.0019724 k( 377) = ( 0.5388998 0.4611002 -0.0000000), wk = 0.0019724 k( 378) = ( 0.5350098 0.4649902 -0.0000000), wk = 0.0019724 k( 379) = ( 0.5311198 0.4688802 -0.0000000), wk = 0.0019724 k( 380) = ( 0.5272298 0.4727702 -0.0000000), wk = 0.0019724 k( 381) = ( 0.5233399 0.4766601 -0.0000000), wk = 0.0019724 k( 382) = ( 0.5194499 0.4805501 -0.0000000), wk = 0.0019724 k( 383) = ( 0.5155599 0.4844401 -0.0000000), wk = 0.0019724 k( 384) = ( 0.5116699 0.4883301 -0.0000000), wk = 0.0019724 k( 385) = ( 0.5077800 0.4922200 -0.0000000), wk = 0.0019724 k( 386) = ( 0.5038900 0.4961100 -0.0000000), wk = 0.0019724 k( 387) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019724 k( 388) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019724 k( 389) = ( 0.5089241 0.5089241 0.0115636), wk = 0.0019724 k( 390) = ( 0.5178481 0.5178481 0.0231273), wk = 0.0019724 k( 391) = ( 0.5267722 0.5267722 0.0346909), wk = 0.0019724 k( 392) = ( 0.5356963 0.5356963 0.0462545), wk = 0.0019724 k( 393) = ( 0.5446203 0.5446203 0.0578182), wk = 0.0019724 k( 394) = ( 0.5535444 0.5535444 0.0693818), wk = 0.0019724 k( 395) = ( 0.5624685 0.5624685 0.0809454), wk = 0.0019724 k( 396) = ( 0.5713925 0.5713925 0.0925091), wk = 0.0019724 k( 397) = ( 0.5803166 0.5803166 0.1040727), wk = 0.0019724 k( 398) = ( 0.5892407 0.5892407 0.1156363), wk = 0.0019724 k( 399) = ( 0.5981647 0.5981647 0.1271999), wk = 0.0019724 k( 400) = ( 0.6070888 0.6070888 0.1387636), wk = 0.0019724 k( 401) = ( 0.6160129 0.6160129 0.1503272), wk = 0.0019724 k( 402) = ( 0.6249369 0.6249369 0.1618909), wk = 0.0019724 k( 403) = ( 0.6338610 0.6338610 0.1734545), wk = 0.0019724 k( 404) = ( 0.6427851 0.6427851 0.1850181), wk = 0.0019724 k( 405) = ( 0.6517091 0.6517091 0.1965817), wk = 0.0019724 k( 406) = ( 0.6517091 0.6517091 0.1965817), wk = 0.0019724 k( 407) = ( 0.6494781 0.6494781 0.2010438), wk = 0.0019724 k( 408) = ( 0.6472471 0.6472471 0.2055058), wk = 0.0019724 k( 409) = ( 0.6450161 0.6450161 0.2099678), wk = 0.0019724 k( 410) = ( 0.6427851 0.6427851 0.2144299), wk = 0.0019724 k( 411) = ( 0.6405540 0.6405540 0.2188919), wk = 0.0019724 k( 412) = ( 0.6383230 0.6383230 0.2233539), wk = 0.0019724 k( 413) = ( 0.6360920 0.6360920 0.2278160), wk = 0.0019724 k( 414) = ( 0.6338610 0.6338610 0.2322780), wk = 0.0019724 k( 415) = ( 0.6316300 0.6316300 0.2367400), wk = 0.0019724 k( 416) = ( 0.6293990 0.6293990 0.2412021), wk = 0.0019724 k( 417) = ( 0.6271680 0.6271680 0.2456641), wk = 0.0019724 k( 418) = ( 0.6249369 0.6249369 0.2501261), wk = 0.0019724 k( 419) = ( 0.6227059 0.6227059 0.2545882), wk = 0.0019724 k( 420) = ( 0.6204749 0.6204749 0.2590502), wk = 0.0019724 k( 421) = ( 0.6182439 0.6182439 0.2635122), wk = 0.0019724 k( 422) = ( 0.6160129 0.6160129 0.2679743), wk = 0.0019724 k( 423) = ( 0.6137818 0.6137818 0.2724363), wk = 0.0019724 k( 424) = ( 0.6115508 0.6115508 0.2768983), wk = 0.0019724 k( 425) = ( 0.6093198 0.6093198 0.2813604), wk = 0.0019724 k( 426) = ( 0.6070888 0.6070888 0.2858224), wk = 0.0019724 k( 427) = ( 0.6048578 0.6048578 0.2902844), wk = 0.0019724 k( 428) = ( 0.6026268 0.6026268 0.2947465), wk = 0.0019724 k( 429) = ( 0.6003958 0.6003957 0.2992085), wk = 0.0019724 k( 430) = ( 0.5981647 0.5981647 0.3036705), wk = 0.0019724 k( 431) = ( 0.5959337 0.5959337 0.3081326), wk = 0.0019724 k( 432) = ( 0.5937027 0.5937027 0.3125946), wk = 0.0019724 k( 433) = ( 0.5914717 0.5914717 0.3170566), wk = 0.0019724 k( 434) = ( 0.5892407 0.5892407 0.3215187), wk = 0.0019724 k( 435) = ( 0.5870097 0.5870096 0.3259807), wk = 0.0019724 k( 436) = ( 0.5847786 0.5847786 0.3304427), wk = 0.0019724 k( 437) = ( 0.5825476 0.5825476 0.3349048), wk = 0.0019724 k( 438) = ( 0.5803166 0.5803166 0.3393668), wk = 0.0019724 k( 439) = ( 0.5780856 0.5780856 0.3438288), wk = 0.0019724 k( 440) = ( 0.5758546 0.5758546 0.3482909), wk = 0.0019724 k( 441) = ( 0.5736235 0.5736235 0.3527529), wk = 0.0019724 k( 442) = ( 0.5713925 0.5713925 0.3572149), wk = 0.0019724 k( 443) = ( 0.5691615 0.5691615 0.3616770), wk = 0.0019724 k( 444) = ( 0.5669305 0.5669305 0.3661390), wk = 0.0019724 k( 445) = ( 0.5646995 0.5646995 0.3706010), wk = 0.0019724 k( 446) = ( 0.5624685 0.5624685 0.3750631), wk = 0.0019724 k( 447) = ( 0.5602375 0.5602375 0.3795251), wk = 0.0019724 k( 448) = ( 0.5580064 0.5580064 0.3839871), wk = 0.0019724 k( 449) = ( 0.5557754 0.5557754 0.3884492), wk = 0.0019724 k( 450) = ( 0.5535444 0.5535444 0.3929112), wk = 0.0019724 k( 451) = ( 0.5513134 0.5513134 0.3973732), wk = 0.0019724 k( 452) = ( 0.5490824 0.5490824 0.4018353), wk = 0.0019724 k( 453) = ( 0.5468513 0.5468513 0.4062973), wk = 0.0019724 k( 454) = ( 0.5446203 0.5446203 0.4107593), wk = 0.0019724 k( 455) = ( 0.5423893 0.5423893 0.4152214), wk = 0.0019724 k( 456) = ( 0.5401583 0.5401583 0.4196834), wk = 0.0019724 k( 457) = ( 0.5379273 0.5379273 0.4241454), wk = 0.0019724 k( 458) = ( 0.5356963 0.5356963 0.4286075), wk = 0.0019724 k( 459) = ( 0.5334653 0.5334652 0.4330695), wk = 0.0019724 k( 460) = ( 0.5312342 0.5312342 0.4375315), wk = 0.0019724 k( 461) = ( 0.5290032 0.5290032 0.4419936), wk = 0.0019724 k( 462) = ( 0.5267722 0.5267722 0.4464556), wk = 0.0019724 k( 463) = ( 0.5245412 0.5245412 0.4509176), wk = 0.0019724 k( 464) = ( 0.5223102 0.5223102 0.4553797), wk = 0.0019724 k( 465) = ( 0.5200792 0.5200791 0.4598417), wk = 0.0019724 k( 466) = ( 0.5178481 0.5178481 0.4643037), wk = 0.0019724 k( 467) = ( 0.5156171 0.5156171 0.4687658), wk = 0.0019724 k( 468) = ( 0.5133861 0.5133861 0.4732278), wk = 0.0019724 k( 469) = ( 0.5111551 0.5111551 0.4776898), wk = 0.0019724 k( 470) = ( 0.5089241 0.5089241 0.4821519), wk = 0.0019724 k( 471) = ( 0.5066930 0.5066930 0.4866139), wk = 0.0019724 k( 472) = ( 0.5044620 0.5044620 0.4910759), wk = 0.0019724 k( 473) = ( 0.5022310 0.5022310 0.4955380), wk = 0.0019724 k( 474) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019724 k( 475) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019724 k( 476) = ( 0.5094818 0.0108841 0.0108841), wk = 0.0019724 k( 477) = ( 0.5189636 0.0217682 0.0217682), wk = 0.0019724 k( 478) = ( 0.5284455 0.0326523 0.0326523), wk = 0.0019724 k( 479) = ( 0.5379273 0.0435364 0.0435364), wk = 0.0019724 k( 480) = ( 0.5474091 0.0544204 0.0544204), wk = 0.0019724 k( 481) = ( 0.5568909 0.0653045 0.0653045), wk = 0.0019724 k( 482) = ( 0.5663727 0.0761886 0.0761886), wk = 0.0019724 k( 483) = ( 0.5758546 0.0870727 0.0870727), wk = 0.0019724 k( 484) = ( 0.5853364 0.0979568 0.0979568), wk = 0.0019724 k( 485) = ( 0.5948182 0.1088409 0.1088409), wk = 0.0019724 k( 486) = ( 0.6043000 0.1197250 0.1197250), wk = 0.0019724 k( 487) = ( 0.6137818 0.1306091 0.1306091), wk = 0.0019724 k( 488) = ( 0.6232637 0.1414932 0.1414932), wk = 0.0019724 k( 489) = ( 0.6327455 0.1523773 0.1523773), wk = 0.0019724 k( 490) = ( 0.6422273 0.1632613 0.1632613), wk = 0.0019724 k( 491) = ( 0.6517091 0.1741454 0.1741454), wk = 0.0019724 k( 492) = ( 0.6611910 0.1850295 0.1850295), wk = 0.0019724 k( 493) = ( 0.6706728 0.1959136 0.1959136), wk = 0.0019724 k( 494) = ( 0.6801546 0.2067977 0.2067977), wk = 0.0019724 k( 495) = ( 0.6896364 0.2176818 0.2176818), wk = 0.0019724 k( 496) = ( 0.6991182 0.2285659 0.2285659), wk = 0.0019724 k( 497) = ( 0.7086001 0.2394500 0.2394500), wk = 0.0019724 k( 498) = ( 0.7180819 0.2503341 0.2503341), wk = 0.0019724 k( 499) = ( 0.7275637 0.2612181 0.2612181), wk = 0.0019724 k( 500) = ( 0.7370455 0.2721022 0.2721022), wk = 0.0019724 k( 501) = ( 0.7465273 0.2829863 0.2829863), wk = 0.0019724 k( 502) = ( 0.7560092 0.2938704 0.2938704), wk = 0.0019724 k( 503) = ( 0.7654910 0.3047545 0.3047545), wk = 0.0019724 k( 504) = ( 0.7749728 0.3156386 0.3156386), wk = 0.0019724 k( 505) = ( 0.7844546 0.3265227 0.3265227), wk = 0.0019724 k( 506) = ( 0.7939364 0.3374068 0.3374068), wk = 0.0019724 k( 507) = ( 0.8034183 0.3482909 0.3482909), wk = 0.0019724 Dense grid: 11809 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 4207 G-vectors FFT dimensions: ( 27, 27, 27) 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 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 327) G-vector shells 0.00 Mb ( 281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.03 Mb ( 30, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 28, 2, 16) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./C.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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.3 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.5 secs Computing kpt #: 23 total cpu time spent up to now is 4.6 secs Computing kpt #: 24 total cpu time spent up to now is 4.6 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.7 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 4.9 secs Computing kpt #: 33 total cpu time spent up to now is 5.0 secs Computing kpt #: 34 total cpu time spent up to now is 5.0 secs Computing kpt #: 35 total cpu time spent up to now is 5.0 secs Computing kpt #: 36 total cpu time spent up to now is 5.1 secs Computing kpt #: 37 total cpu time spent up to now is 5.1 secs Computing kpt #: 38 total cpu time spent up to now is 5.2 secs Computing kpt #: 39 total cpu time spent up to now is 5.2 secs Computing kpt #: 40 total cpu time spent up to now is 5.2 secs Computing kpt #: 41 total cpu time spent up to now is 5.3 secs Computing kpt #: 42 total cpu time spent up to now is 5.3 secs Computing kpt #: 43 total cpu time spent up to now is 5.3 secs Computing kpt #: 44 total cpu time spent up to now is 5.4 secs Computing kpt #: 45 total cpu time spent up to now is 5.4 secs Computing kpt #: 46 total cpu time spent up to now is 5.5 secs Computing kpt #: 47 total cpu time spent up to now is 5.5 secs Computing kpt #: 48 total cpu time spent up to now is 5.6 secs Computing kpt #: 49 total cpu time spent up to now is 5.6 secs Computing kpt #: 50 total cpu time spent up to now is 5.7 secs Computing kpt #: 51 total cpu time spent up to now is 5.8 secs Computing kpt #: 52 total cpu time spent up to now is 6.0 secs Computing kpt #: 53 total cpu time spent up to now is 6.0 secs Computing kpt #: 54 total cpu time spent up to now is 6.1 secs Computing kpt #: 55 total cpu time spent up to now is 6.1 secs Computing kpt #: 56 total cpu time spent up to now is 6.2 secs Computing kpt #: 57 total cpu time spent up to now is 6.3 secs Computing kpt #: 58 total cpu time spent up to now is 6.3 secs Computing kpt #: 59 total cpu time spent up to now is 6.4 secs Computing kpt #: 60 total cpu time spent up to now is 6.4 secs Computing kpt #: 61 total cpu time spent up to now is 6.5 secs Computing kpt #: 62 total cpu time spent up to now is 6.5 secs Computing kpt #: 63 total cpu time spent up to now is 6.5 secs Computing kpt #: 64 total cpu time spent up to now is 6.6 secs Computing kpt #: 65 total cpu time spent up to now is 6.6 secs Computing kpt #: 66 total cpu time spent up to now is 6.7 secs Computing kpt #: 67 total cpu time spent up to now is 6.7 secs Computing kpt #: 68 total cpu time spent up to now is 6.8 secs Computing kpt #: 69 total cpu time spent up to now is 6.8 secs Computing kpt #: 70 total cpu time spent up to now is 6.9 secs Computing kpt #: 71 total cpu time spent up to now is 6.9 secs Computing kpt #: 72 total cpu time spent up to now is 6.9 secs Computing kpt #: 73 total cpu time spent up to now is 7.0 secs Computing kpt #: 74 total cpu time spent up to now is 7.0 secs Computing kpt #: 75 total cpu time spent up to now is 7.1 secs Computing kpt #: 76 total cpu time spent up to now is 7.1 secs Computing kpt #: 77 total cpu time spent up to now is 7.2 secs Computing kpt #: 78 total cpu time spent up to now is 7.2 secs Computing kpt #: 79 total cpu time spent up to now is 7.2 secs Computing kpt #: 80 total cpu time spent up to now is 7.3 secs Computing kpt #: 81 total cpu time spent up to now is 7.3 secs Computing kpt #: 82 total cpu time spent up to now is 7.4 secs Computing kpt #: 83 total cpu time spent up to now is 7.4 secs Computing kpt #: 84 total cpu time spent up to now is 7.5 secs Computing kpt #: 85 total cpu time spent up to now is 7.5 secs Computing kpt #: 86 total cpu time spent up to now is 7.6 secs Computing kpt #: 87 total cpu time spent up to now is 7.6 secs Computing kpt #: 88 total cpu time spent up to now is 7.7 secs Computing kpt #: 89 total cpu time spent up to now is 7.7 secs Computing kpt #: 90 total cpu time spent up to now is 7.8 secs Computing kpt #: 91 total cpu time spent up to now is 7.8 secs Computing kpt #: 92 total cpu time spent up to now is 7.9 secs Computing kpt #: 93 total cpu time spent up to now is 7.9 secs Computing kpt #: 94 total cpu time spent up to now is 8.0 secs Computing kpt #: 95 total cpu time spent up to now is 8.0 secs Computing kpt #: 96 total cpu time spent up to now is 8.1 secs Computing kpt #: 97 total cpu time spent up to now is 8.1 secs Computing kpt #: 98 total cpu time spent up to now is 8.2 secs Computing kpt #: 99 total cpu time spent up to now is 8.2 secs Computing kpt #: 100 total cpu time spent up to now is 8.3 secs Computing kpt #: 101 total cpu time spent up to now is 8.3 secs Computing kpt #: 102 total cpu time spent up to now is 8.4 secs Computing kpt #: 103 total cpu time spent up to now is 8.4 secs Computing kpt #: 104 total cpu time spent up to now is 8.5 secs Computing kpt #: 105 total cpu time spent up to now is 8.5 secs Computing kpt #: 106 total cpu time spent up to now is 8.6 secs Computing kpt #: 107 total cpu time spent up to now is 8.6 secs Computing kpt #: 108 total cpu time spent up to now is 8.7 secs Computing kpt #: 109 total cpu time spent up to now is 8.8 secs Computing kpt #: 110 total cpu time spent up to now is 8.8 secs Computing kpt #: 111 total cpu time spent up to now is 8.9 secs Computing kpt #: 112 total cpu time spent up to now is 8.9 secs Computing kpt #: 113 total cpu time spent up to now is 9.0 secs Computing kpt #: 114 total cpu time spent up to now is 9.1 secs Computing kpt #: 115 total cpu time spent up to now is 9.1 secs Computing kpt #: 116 total cpu time spent up to now is 9.2 secs Computing kpt #: 117 total cpu time spent up to now is 9.3 secs Computing kpt #: 118 total cpu time spent up to now is 9.4 secs Computing kpt #: 119 total cpu time spent up to now is 9.4 secs Computing kpt #: 120 total cpu time spent up to now is 9.5 secs Computing kpt #: 121 total cpu time spent up to now is 9.5 secs Computing kpt #: 122 total cpu time spent up to now is 9.6 secs Computing kpt #: 123 total cpu time spent up to now is 9.6 secs Computing kpt #: 124 total cpu time spent up to now is 9.7 secs Computing kpt #: 125 total cpu time spent up to now is 9.7 secs Computing kpt #: 126 total cpu time spent up to now is 9.8 secs Computing kpt #: 127 total cpu time spent up to now is 9.8 secs Computing kpt #: 128 total cpu time spent up to now is 9.9 secs Computing kpt #: 129 total cpu time spent up to now is 9.9 secs Computing kpt #: 130 total cpu time spent up to now is 10.0 secs Computing kpt #: 131 total cpu time spent up to now is 10.0 secs Computing kpt #: 132 total cpu time spent up to now is 10.1 secs Computing kpt #: 133 total cpu time spent up to now is 10.1 secs Computing kpt #: 134 total cpu time spent up to now is 10.2 secs Computing kpt #: 135 total cpu time spent up to now is 10.2 secs Computing kpt #: 136 total cpu time spent up to now is 10.3 secs Computing kpt #: 137 total cpu time spent up to now is 10.3 secs Computing kpt #: 138 total cpu time spent up to now is 10.3 secs Computing kpt #: 139 total cpu time spent up to now is 10.4 secs Computing kpt #: 140 total cpu time spent up to now is 10.4 secs Computing kpt #: 141 total cpu time spent up to now is 10.5 secs Computing kpt #: 142 total cpu time spent up to now is 10.5 secs Computing kpt #: 143 total cpu time spent up to now is 10.6 secs Computing kpt #: 144 total cpu time spent up to now is 10.6 secs Computing kpt #: 145 total cpu time spent up to now is 10.7 secs Computing kpt #: 146 total cpu time spent up to now is 10.7 secs Computing kpt #: 147 total cpu time spent up to now is 10.8 secs Computing kpt #: 148 total cpu time spent up to now is 10.8 secs Computing kpt #: 149 total cpu time spent up to now is 10.9 secs Computing kpt #: 150 total cpu time spent up to now is 10.9 secs Computing kpt #: 151 total cpu time spent up to now is 11.0 secs Computing kpt #: 152 total cpu time spent up to now is 11.0 secs Computing kpt #: 153 total cpu time spent up to now is 11.1 secs Computing kpt #: 154 total cpu time spent up to now is 11.1 secs Computing kpt #: 155 total cpu time spent up to now is 11.2 secs Computing kpt #: 156 total cpu time spent up to now is 11.2 secs Computing kpt #: 157 total cpu time spent up to now is 11.3 secs Computing kpt #: 158 total cpu time spent up to now is 11.3 secs Computing kpt #: 159 total cpu time spent up to now is 11.4 secs Computing kpt #: 160 total cpu time spent up to now is 11.4 secs Computing kpt #: 161 total cpu time spent up to now is 11.5 secs Computing kpt #: 162 total cpu time spent up to now is 11.5 secs Computing kpt #: 163 total cpu time spent up to now is 11.6 secs Computing kpt #: 164 total cpu time spent up to now is 11.6 secs Computing kpt #: 165 total cpu time spent up to now is 11.7 secs Computing kpt #: 166 total cpu time spent up to now is 11.7 secs Computing kpt #: 167 total cpu time spent up to now is 11.7 secs Computing kpt #: 168 total cpu time spent up to now is 11.8 secs Computing kpt #: 169 total cpu time spent up to now is 11.8 secs Computing kpt #: 170 total cpu time spent up to now is 11.9 secs Computing kpt #: 171 total cpu time spent up to now is 11.9 secs Computing kpt #: 172 total cpu time spent up to now is 12.0 secs Computing kpt #: 173 total cpu time spent up to now is 12.0 secs Computing kpt #: 174 total cpu time spent up to now is 12.1 secs Computing kpt #: 175 total cpu time spent up to now is 12.1 secs Computing kpt #: 176 total cpu time spent up to now is 12.2 secs Computing kpt #: 177 total cpu time spent up to now is 12.2 secs Computing kpt #: 178 total cpu time spent up to now is 12.2 secs Computing kpt #: 179 total cpu time spent up to now is 12.3 secs Computing kpt #: 180 total cpu time spent up to now is 12.3 secs Computing kpt #: 181 total cpu time spent up to now is 12.4 secs Computing kpt #: 182 total cpu time spent up to now is 12.4 secs Computing kpt #: 183 total cpu time spent up to now is 12.4 secs Computing kpt #: 184 total cpu time spent up to now is 12.5 secs Computing kpt #: 185 total cpu time spent up to now is 12.5 secs Computing kpt #: 186 total cpu time spent up to now is 12.6 secs Computing kpt #: 187 total cpu time spent up to now is 12.6 secs Computing kpt #: 188 total cpu time spent up to now is 12.6 secs Computing kpt #: 189 total cpu time spent up to now is 12.7 secs Computing kpt #: 190 total cpu time spent up to now is 12.7 secs Computing kpt #: 191 total cpu time spent up to now is 12.7 secs Computing kpt #: 192 total cpu time spent up to now is 12.8 secs Computing kpt #: 193 total cpu time spent up to now is 12.8 secs Computing kpt #: 194 total cpu time spent up to now is 12.9 secs Computing kpt #: 195 total cpu time spent up to now is 12.9 secs Computing kpt #: 196 total cpu time spent up to now is 12.9 secs Computing kpt #: 197 total cpu time spent up to now is 13.0 secs Computing kpt #: 198 total cpu time spent up to now is 13.0 secs Computing kpt #: 199 total cpu time spent up to now is 13.0 secs Computing kpt #: 200 total cpu time spent up to now is 13.1 secs Computing kpt #: 201 total cpu time spent up to now is 13.1 secs Computing kpt #: 202 total cpu time spent up to now is 13.1 secs Computing kpt #: 203 total cpu time spent up to now is 13.2 secs Computing kpt #: 204 total cpu time spent up to now is 13.2 secs Computing kpt #: 205 total cpu time spent up to now is 13.2 secs Computing kpt #: 206 total cpu time spent up to now is 13.3 secs Computing kpt #: 207 total cpu time spent up to now is 13.3 secs Computing kpt #: 208 total cpu time spent up to now is 13.4 secs Computing kpt #: 209 total cpu time spent up to now is 13.4 secs Computing kpt #: 210 total cpu time spent up to now is 13.4 secs Computing kpt #: 211 total cpu time spent up to now is 13.5 secs Computing kpt #: 212 total cpu time spent up to now is 13.5 secs Computing kpt #: 213 total cpu time spent up to now is 13.5 secs Computing kpt #: 214 total cpu time spent up to now is 13.6 secs Computing kpt #: 215 total cpu time spent up to now is 13.6 secs Computing kpt #: 216 total cpu time spent up to now is 13.6 secs Computing kpt #: 217 total cpu time spent up to now is 13.7 secs Computing kpt #: 218 total cpu time spent up to now is 13.7 secs Computing kpt #: 219 total cpu time spent up to now is 13.8 secs Computing kpt #: 220 total cpu time spent up to now is 13.8 secs Computing kpt #: 221 total cpu time spent up to now is 13.8 secs Computing kpt #: 222 total cpu time spent up to now is 13.9 secs Computing kpt #: 223 total cpu time spent up to now is 13.9 secs Computing kpt #: 224 total cpu time spent up to now is 13.9 secs Computing kpt #: 225 total cpu time spent up to now is 14.0 secs Computing kpt #: 226 total cpu time spent up to now is 14.0 secs Computing kpt #: 227 total cpu time spent up to now is 14.1 secs Computing kpt #: 228 total cpu time spent up to now is 14.1 secs Computing kpt #: 229 total cpu time spent up to now is 14.1 secs Computing kpt #: 230 total cpu time spent up to now is 14.2 secs Computing kpt #: 231 total cpu time spent up to now is 14.2 secs Computing kpt #: 232 total cpu time spent up to now is 14.2 secs Computing kpt #: 233 total cpu time spent up to now is 14.3 secs Computing kpt #: 234 total cpu time spent up to now is 14.3 secs Computing kpt #: 235 total cpu time spent up to now is 14.3 secs Computing kpt #: 236 total cpu time spent up to now is 14.4 secs Computing kpt #: 237 total cpu time spent up to now is 14.4 secs Computing kpt #: 238 total cpu time spent up to now is 14.5 secs Computing kpt #: 239 total cpu time spent up to now is 14.5 secs Computing kpt #: 240 total cpu time spent up to now is 14.5 secs Computing kpt #: 241 total cpu time spent up to now is 14.6 secs Computing kpt #: 242 total cpu time spent up to now is 14.6 secs Computing kpt #: 243 total cpu time spent up to now is 14.6 secs Computing kpt #: 244 total cpu time spent up to now is 14.7 secs Computing kpt #: 245 total cpu time spent up to now is 14.7 secs Computing kpt #: 246 total cpu time spent up to now is 14.7 secs Computing kpt #: 247 total cpu time spent up to now is 14.8 secs Computing kpt #: 248 total cpu time spent up to now is 14.8 secs Computing kpt #: 249 total cpu time spent up to now is 14.8 secs Computing kpt #: 250 total cpu time spent up to now is 14.9 secs Computing kpt #: 251 total cpu time spent up to now is 14.9 secs Computing kpt #: 252 total cpu time spent up to now is 14.9 secs Computing kpt #: 253 total cpu time spent up to now is 15.0 secs Computing kpt #: 254 total cpu time spent up to now is 15.0 secs Computing kpt #: 255 total cpu time spent up to now is 15.0 secs Computing kpt #: 256 total cpu time spent up to now is 15.1 secs Computing kpt #: 257 total cpu time spent up to now is 15.1 secs Computing kpt #: 258 total cpu time spent up to now is 15.1 secs Computing kpt #: 259 total cpu time spent up to now is 15.2 secs Computing kpt #: 260 total cpu time spent up to now is 15.2 secs Computing kpt #: 261 total cpu time spent up to now is 15.2 secs Computing kpt #: 262 total cpu time spent up to now is 15.3 secs Computing kpt #: 263 total cpu time spent up to now is 15.3 secs Computing kpt #: 264 total cpu time spent up to now is 15.3 secs Computing kpt #: 265 total cpu time spent up to now is 15.4 secs Computing kpt #: 266 total cpu time spent up to now is 15.4 secs Computing kpt #: 267 total cpu time spent up to now is 15.5 secs Computing kpt #: 268 total cpu time spent up to now is 15.5 secs Computing kpt #: 269 total cpu time spent up to now is 15.5 secs Computing kpt #: 270 total cpu time spent up to now is 15.6 secs Computing kpt #: 271 total cpu time spent up to now is 15.6 secs Computing kpt #: 272 total cpu time spent up to now is 15.6 secs Computing kpt #: 273 total cpu time spent up to now is 15.7 secs Computing kpt #: 274 total cpu time spent up to now is 15.7 secs Computing kpt #: 275 total cpu time spent up to now is 15.7 secs Computing kpt #: 276 total cpu time spent up to now is 15.8 secs Computing kpt #: 277 total cpu time spent up to now is 15.8 secs Computing kpt #: 278 total cpu time spent up to now is 15.9 secs Computing kpt #: 279 total cpu time spent up to now is 15.9 secs Computing kpt #: 280 total cpu time spent up to now is 15.9 secs Computing kpt #: 281 total cpu time spent up to now is 16.0 secs Computing kpt #: 282 total cpu time spent up to now is 16.0 secs Computing kpt #: 283 total cpu time spent up to now is 16.0 secs Computing kpt #: 284 total cpu time spent up to now is 16.1 secs Computing kpt #: 285 total cpu time spent up to now is 16.1 secs Computing kpt #: 286 total cpu time spent up to now is 16.1 secs Computing kpt #: 287 total cpu time spent up to now is 16.2 secs Computing kpt #: 288 total cpu time spent up to now is 16.2 secs Computing kpt #: 289 total cpu time spent up to now is 16.2 secs Computing kpt #: 290 total cpu time spent up to now is 16.3 secs Computing kpt #: 291 total cpu time spent up to now is 16.3 secs Computing kpt #: 292 total cpu time spent up to now is 16.4 secs Computing kpt #: 293 total cpu time spent up to now is 16.4 secs Computing kpt #: 294 total cpu time spent up to now is 16.4 secs Computing kpt #: 295 total cpu time spent up to now is 16.5 secs Computing kpt #: 296 total cpu time spent up to now is 16.5 secs Computing kpt #: 297 total cpu time spent up to now is 16.5 secs Computing kpt #: 298 total cpu time spent up to now is 16.6 secs Computing kpt #: 299 total cpu time spent up to now is 16.6 secs Computing kpt #: 300 total cpu time spent up to now is 16.7 secs Computing kpt #: 301 total cpu time spent up to now is 16.7 secs Computing kpt #: 302 total cpu time spent up to now is 16.7 secs Computing kpt #: 303 total cpu time spent up to now is 16.8 secs Computing kpt #: 304 total cpu time spent up to now is 16.8 secs Computing kpt #: 305 total cpu time spent up to now is 16.9 secs Computing kpt #: 306 total cpu time spent up to now is 16.9 secs Computing kpt #: 307 total cpu time spent up to now is 17.0 secs Computing kpt #: 308 total cpu time spent up to now is 17.0 secs Computing kpt #: 309 total cpu time spent up to now is 17.1 secs Computing kpt #: 310 total cpu time spent up to now is 17.1 secs Computing kpt #: 311 total cpu time spent up to now is 17.2 secs Computing kpt #: 312 total cpu time spent up to now is 17.2 secs Computing kpt #: 313 total cpu time spent up to now is 17.3 secs Computing kpt #: 314 total cpu time spent up to now is 17.3 secs Computing kpt #: 315 total cpu time spent up to now is 17.4 secs Computing kpt #: 316 total cpu time spent up to now is 17.4 secs Computing kpt #: 317 total cpu time spent up to now is 17.5 secs Computing kpt #: 318 total cpu time spent up to now is 17.5 secs Computing kpt #: 319 total cpu time spent up to now is 17.6 secs Computing kpt #: 320 total cpu time spent up to now is 17.6 secs Computing kpt #: 321 total cpu time spent up to now is 17.7 secs Computing kpt #: 322 total cpu time spent up to now is 17.8 secs Computing kpt #: 323 total cpu time spent up to now is 17.8 secs Computing kpt #: 324 total cpu time spent up to now is 17.9 secs Computing kpt #: 325 total cpu time spent up to now is 17.9 secs Computing kpt #: 326 total cpu time spent up to now is 18.0 secs Computing kpt #: 327 total cpu time spent up to now is 18.0 secs Computing kpt #: 328 total cpu time spent up to now is 18.1 secs Computing kpt #: 329 total cpu time spent up to now is 18.1 secs Computing kpt #: 330 total cpu time spent up to now is 18.2 secs Computing kpt #: 331 total cpu time spent up to now is 18.2 secs Computing kpt #: 332 total cpu time spent up to now is 18.3 secs Computing kpt #: 333 total cpu time spent up to now is 18.4 secs Computing kpt #: 334 total cpu time spent up to now is 18.4 secs Computing kpt #: 335 total cpu time spent up to now is 18.5 secs Computing kpt #: 336 total cpu time spent up to now is 18.6 secs Computing kpt #: 337 total cpu time spent up to now is 18.6 secs Computing kpt #: 338 total cpu time spent up to now is 18.7 secs Computing kpt #: 339 total cpu time spent up to now is 18.8 secs Computing kpt #: 340 total cpu time spent up to now is 18.8 secs Computing kpt #: 341 total cpu time spent up to now is 18.9 secs Computing kpt #: 342 total cpu time spent up to now is 18.9 secs Computing kpt #: 343 total cpu time spent up to now is 19.0 secs Computing kpt #: 344 total cpu time spent up to now is 19.1 secs Computing kpt #: 345 total cpu time spent up to now is 19.1 secs Computing kpt #: 346 total cpu time spent up to now is 19.2 secs Computing kpt #: 347 total cpu time spent up to now is 19.2 secs Computing kpt #: 348 total cpu time spent up to now is 19.3 secs Computing kpt #: 349 total cpu time spent up to now is 19.4 secs Computing kpt #: 350 total cpu time spent up to now is 19.4 secs Computing kpt #: 351 total cpu time spent up to now is 19.5 secs Computing kpt #: 352 total cpu time spent up to now is 19.5 secs Computing kpt #: 353 total cpu time spent up to now is 19.6 secs Computing kpt #: 354 total cpu time spent up to now is 19.7 secs Computing kpt #: 355 total cpu time spent up to now is 19.7 secs Computing kpt #: 356 total cpu time spent up to now is 19.8 secs Computing kpt #: 357 total cpu time spent up to now is 19.9 secs Computing kpt #: 358 total cpu time spent up to now is 19.9 secs Computing kpt #: 359 total cpu time spent up to now is 20.0 secs Computing kpt #: 360 total cpu time spent up to now is 20.1 secs Computing kpt #: 361 total cpu time spent up to now is 20.1 secs Computing kpt #: 362 total cpu time spent up to now is 20.2 secs Computing kpt #: 363 total cpu time spent up to now is 20.2 secs Computing kpt #: 364 total cpu time spent up to now is 20.3 secs Computing kpt #: 365 total cpu time spent up to now is 20.4 secs Computing kpt #: 366 total cpu time spent up to now is 20.4 secs Computing kpt #: 367 total cpu time spent up to now is 20.5 secs Computing kpt #: 368 total cpu time spent up to now is 20.5 secs Computing kpt #: 369 total cpu time spent up to now is 20.6 secs Computing kpt #: 370 total cpu time spent up to now is 20.6 secs Computing kpt #: 371 total cpu time spent up to now is 20.7 secs Computing kpt #: 372 total cpu time spent up to now is 20.8 secs Computing kpt #: 373 total cpu time spent up to now is 20.8 secs Computing kpt #: 374 total cpu time spent up to now is 20.9 secs Computing kpt #: 375 total cpu time spent up to now is 20.9 secs Computing kpt #: 376 total cpu time spent up to now is 21.0 secs Computing kpt #: 377 total cpu time spent up to now is 21.0 secs Computing kpt #: 378 total cpu time spent up to now is 21.1 secs Computing kpt #: 379 total cpu time spent up to now is 21.1 secs Computing kpt #: 380 total cpu time spent up to now is 21.2 secs Computing kpt #: 381 total cpu time spent up to now is 21.2 secs Computing kpt #: 382 total cpu time spent up to now is 21.3 secs Computing kpt #: 383 total cpu time spent up to now is 21.3 secs Computing kpt #: 384 total cpu time spent up to now is 21.4 secs Computing kpt #: 385 total cpu time spent up to now is 21.4 secs Computing kpt #: 386 total cpu time spent up to now is 21.5 secs Computing kpt #: 387 total cpu time spent up to now is 21.6 secs Computing kpt #: 388 total cpu time spent up to now is 21.6 secs Computing kpt #: 389 total cpu time spent up to now is 21.7 secs Computing kpt #: 390 total cpu time spent up to now is 21.7 secs Computing kpt #: 391 total cpu time spent up to now is 21.8 secs Computing kpt #: 392 total cpu time spent up to now is 21.8 secs Computing kpt #: 393 total cpu time spent up to now is 21.9 secs Computing kpt #: 394 total cpu time spent up to now is 21.9 secs Computing kpt #: 395 total cpu time spent up to now is 22.0 secs Computing kpt #: 396 total cpu time spent up to now is 22.0 secs Computing kpt #: 397 total cpu time spent up to now is 22.1 secs Computing kpt #: 398 total cpu time spent up to now is 22.1 secs Computing kpt #: 399 total cpu time spent up to now is 22.2 secs Computing kpt #: 400 total cpu time spent up to now is 22.2 secs Computing kpt #: 401 total cpu time spent up to now is 22.3 secs Computing kpt #: 402 total cpu time spent up to now is 22.3 secs Computing kpt #: 403 total cpu time spent up to now is 22.4 secs Computing kpt #: 404 total cpu time spent up to now is 22.4 secs Computing kpt #: 405 total cpu time spent up to now is 22.5 secs Computing kpt #: 406 total cpu time spent up to now is 22.5 secs Computing kpt #: 407 total cpu time spent up to now is 22.5 secs Computing kpt #: 408 total cpu time spent up to now is 22.6 secs Computing kpt #: 409 total cpu time spent up to now is 22.6 secs Computing kpt #: 410 total cpu time spent up to now is 22.7 secs Computing kpt #: 411 total cpu time spent up to now is 22.7 secs Computing kpt #: 412 total cpu time spent up to now is 22.8 secs Computing kpt #: 413 total cpu time spent up to now is 22.8 secs Computing kpt #: 414 total cpu time spent up to now is 22.9 secs Computing kpt #: 415 total cpu time spent up to now is 22.9 secs Computing kpt #: 416 total cpu time spent up to now is 23.0 secs Computing kpt #: 417 total cpu time spent up to now is 23.0 secs Computing kpt #: 418 total cpu time spent up to now is 23.1 secs Computing kpt #: 419 total cpu time spent up to now is 23.1 secs Computing kpt #: 420 total cpu time spent up to now is 23.1 secs Computing kpt #: 421 total cpu time spent up to now is 23.2 secs Computing kpt #: 422 total cpu time spent up to now is 23.2 secs Computing kpt #: 423 total cpu time spent up to now is 23.3 secs Computing kpt #: 424 total cpu time spent up to now is 23.3 secs Computing kpt #: 425 total cpu time spent up to now is 23.4 secs Computing kpt #: 426 total cpu time spent up to now is 23.4 secs Computing kpt #: 427 total cpu time spent up to now is 23.4 secs Computing kpt #: 428 total cpu time spent up to now is 23.5 secs Computing kpt #: 429 total cpu time spent up to now is 23.5 secs Computing kpt #: 430 total cpu time spent up to now is 23.6 secs Computing kpt #: 431 total cpu time spent up to now is 23.6 secs Computing kpt #: 432 total cpu time spent up to now is 23.7 secs Computing kpt #: 433 total cpu time spent up to now is 23.7 secs Computing kpt #: 434 total cpu time spent up to now is 23.8 secs Computing kpt #: 435 total cpu time spent up to now is 23.8 secs Computing kpt #: 436 total cpu time spent up to now is 23.8 secs Computing kpt #: 437 total cpu time spent up to now is 23.9 secs Computing kpt #: 438 total cpu time spent up to now is 23.9 secs Computing kpt #: 439 total cpu time spent up to now is 24.0 secs Computing kpt #: 440 total cpu time spent up to now is 24.0 secs Computing kpt #: 441 total cpu time spent up to now is 24.0 secs Computing kpt #: 442 total cpu time spent up to now is 24.1 secs Computing kpt #: 443 total cpu time spent up to now is 24.1 secs Computing kpt #: 444 total cpu time spent up to now is 24.1 secs Computing kpt #: 445 total cpu time spent up to now is 24.2 secs Computing kpt #: 446 total cpu time spent up to now is 24.2 secs Computing kpt #: 447 total cpu time spent up to now is 24.2 secs Computing kpt #: 448 total cpu time spent up to now is 24.3 secs Computing kpt #: 449 total cpu time spent up to now is 24.3 secs Computing kpt #: 450 total cpu time spent up to now is 24.3 secs Computing kpt #: 451 total cpu time spent up to now is 24.4 secs Computing kpt #: 452 total cpu time spent up to now is 24.4 secs Computing kpt #: 453 total cpu time spent up to now is 24.4 secs Computing kpt #: 454 total cpu time spent up to now is 24.5 secs Computing kpt #: 455 total cpu time spent up to now is 24.5 secs Computing kpt #: 456 total cpu time spent up to now is 24.5 secs Computing kpt #: 457 total cpu time spent up to now is 24.6 secs Computing kpt #: 458 total cpu time spent up to now is 24.6 secs Computing kpt #: 459 total cpu time spent up to now is 24.6 secs Computing kpt #: 460 total cpu time spent up to now is 24.7 secs Computing kpt #: 461 total cpu time spent up to now is 24.7 secs Computing kpt #: 462 total cpu time spent up to now is 24.7 secs Computing kpt #: 463 total cpu time spent up to now is 24.8 secs Computing kpt #: 464 total cpu time spent up to now is 24.8 secs Computing kpt #: 465 total cpu time spent up to now is 24.8 secs Computing kpt #: 466 total cpu time spent up to now is 24.9 secs Computing kpt #: 467 total cpu time spent up to now is 24.9 secs Computing kpt #: 468 total cpu time spent up to now is 24.9 secs Computing kpt #: 469 total cpu time spent up to now is 25.0 secs Computing kpt #: 470 total cpu time spent up to now is 25.0 secs Computing kpt #: 471 total cpu time spent up to now is 25.0 secs Computing kpt #: 472 total cpu time spent up to now is 25.1 secs Computing kpt #: 473 total cpu time spent up to now is 25.1 secs Computing kpt #: 474 total cpu time spent up to now is 25.1 secs Computing kpt #: 475 total cpu time spent up to now is 25.2 secs Computing kpt #: 476 total cpu time spent up to now is 25.2 secs Computing kpt #: 477 total cpu time spent up to now is 25.2 secs Computing kpt #: 478 total cpu time spent up to now is 25.3 secs Computing kpt #: 479 total cpu time spent up to now is 25.3 secs Computing kpt #: 480 total cpu time spent up to now is 25.3 secs Computing kpt #: 481 total cpu time spent up to now is 25.4 secs Computing kpt #: 482 total cpu time spent up to now is 25.4 secs Computing kpt #: 483 total cpu time spent up to now is 25.5 secs Computing kpt #: 484 total cpu time spent up to now is 25.5 secs Computing kpt #: 485 total cpu time spent up to now is 25.5 secs Computing kpt #: 486 total cpu time spent up to now is 25.6 secs Computing kpt #: 487 total cpu time spent up to now is 25.6 secs Computing kpt #: 488 total cpu time spent up to now is 25.7 secs Computing kpt #: 489 total cpu time spent up to now is 25.7 secs Computing kpt #: 490 total cpu time spent up to now is 25.7 secs Computing kpt #: 491 total cpu time spent up to now is 25.8 secs Computing kpt #: 492 total cpu time spent up to now is 25.8 secs Computing kpt #: 493 total cpu time spent up to now is 25.9 secs Computing kpt #: 494 total cpu time spent up to now is 25.9 secs Computing kpt #: 495 total cpu time spent up to now is 26.0 secs Computing kpt #: 496 total cpu time spent up to now is 26.0 secs Computing kpt #: 497 total cpu time spent up to now is 26.1 secs Computing kpt #: 498 total cpu time spent up to now is 26.1 secs Computing kpt #: 499 total cpu time spent up to now is 26.1 secs Computing kpt #: 500 total cpu time spent up to now is 26.2 secs Computing kpt #: 501 total cpu time spent up to now is 26.2 secs Computing kpt #: 502 total cpu time spent up to now is 26.3 secs Computing kpt #: 503 total cpu time spent up to now is 26.3 secs Computing kpt #: 504 total cpu time spent up to now is 26.4 secs Computing kpt #: 505 total cpu time spent up to now is 26.4 secs Computing kpt #: 506 total cpu time spent up to now is 26.5 secs Computing kpt #: 507 total cpu time spent up to now is 26.5 secs ethr = 1.25E-07, avg # of iterations = 10.2 total cpu time spent up to now is 26.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 523 PWs) bands (ev): -12.6214 -12.6214 0.5072 0.5072 4.1128 4.1128 4.1220 4.1220 11.3107 11.3107 15.5664 15.5664 15.5743 15.5743 18.6290 18.6290 k = 0.0066-0.0080-0.0050 ( 523 PWs) bands (ev): -12.6204 -12.6204 0.5082 0.5082 4.1094 4.1094 4.1188 4.1188 11.3121 11.3121 15.5687 15.5687 15.5773 15.5773 18.6253 18.6253 k = 0.0132-0.0160-0.0100 ( 522 PWs) bands (ev): -12.6172 -12.6172 0.5114 0.5114 4.0983 4.0983 4.1104 4.1104 11.3165 11.3165 15.5726 15.5726 15.5894 15.5894 18.6143 18.6143 k = 0.0197-0.0240-0.0150 ( 520 PWs) bands (ev): -12.6119 -12.6119 0.5167 0.5167 4.0780 4.0780 4.0982 4.0982 11.3238 11.3238 15.5768 15.5768 15.6117 15.6117 18.5958 18.5958 k = 0.0263-0.0319-0.0200 ( 520 PWs) bands (ev): -12.6046 -12.6046 0.5242 0.5242 4.0487 4.0487 4.0820 4.0820 11.3340 11.3340 15.5819 15.5819 15.6430 15.6430 18.5701 18.5701 k = 0.0329-0.0399-0.0250 ( 520 PWs) bands (ev): -12.5951 -12.5951 0.5338 0.5338 4.0109 4.0109 4.0616 4.0616 11.3471 11.3471 15.5881 15.5881 15.6832 15.6832 18.5372 18.5372 k = 0.0395-0.0479-0.0300 ( 521 PWs) bands (ev): -12.5835 -12.5835 0.5455 0.5455 3.9648 3.9648 4.0371 4.0371 11.3632 11.3632 15.5953 15.5953 15.7321 15.7321 18.4969 18.4969 k = 0.0461-0.0559-0.0350 ( 522 PWs) bands (ev): -12.5699 -12.5699 0.5593 0.5593 3.9106 3.9106 4.0085 4.0085 11.3821 11.3821 15.6032 15.6032 15.7897 15.7897 18.4498 18.4498 k = 0.0526-0.0639-0.0400 ( 522 PWs) bands (ev): -12.5541 -12.5541 0.5753 0.5753 3.8487 3.8487 3.9759 3.9759 11.4040 11.4040 15.6117 15.6117 15.8557 15.8557 18.3959 18.3959 k = 0.0592-0.0719-0.0451 ( 522 PWs) bands (ev): -12.5362 -12.5362 0.5934 0.5934 3.7793 3.7793 3.9396 3.9396 11.4288 11.4288 15.6206 15.6206 15.9299 15.9299 18.3353 18.3353 k = 0.0658-0.0798-0.0501 ( 522 PWs) bands (ev): -12.5163 -12.5163 0.6136 0.6136 3.7026 3.7026 3.8996 3.8996 11.4564 11.4564 15.6296 15.6296 16.0121 16.0121 18.2681 18.2681 k = 0.0724-0.0878-0.0551 ( 522 PWs) bands (ev): -12.4942 -12.4942 0.6359 0.6359 3.6188 3.6188 3.8562 3.8562 11.4870 11.4870 15.6385 15.6385 16.1023 16.1023 18.1946 18.1946 k = 0.0789-0.0958-0.0601 ( 523 PWs) bands (ev): -12.4700 -12.4700 0.6603 0.6603 3.5284 3.5284 3.8093 3.8093 11.5204 11.5204 15.6471 15.6471 16.1999 16.1999 18.1149 18.1149 k = 0.0855-0.1038-0.0651 ( 523 PWs) bands (ev): -12.4438 -12.4438 0.6868 0.6868 3.4314 3.4314 3.7596 3.7596 11.5567 11.5567 15.6549 15.6549 16.3051 16.3051 18.0293 18.0293 k = 0.0921-0.1118-0.0701 ( 522 PWs) bands (ev): -12.4154 -12.4154 0.7155 0.7155 3.3284 3.3284 3.7071 3.7071 11.5958 11.5958 15.6621 15.6621 16.4174 16.4174 17.9380 17.9380 k = 0.0987-0.1198-0.0751 ( 522 PWs) bands (ev): -12.3850 -12.3850 0.7462 0.7462 3.2193 3.2193 3.6520 3.6520 11.6377 11.6377 15.6680 15.6680 16.5367 16.5367 17.8413 17.8413 k = 0.1053-0.1277-0.0801 ( 522 PWs) bands (ev): -12.3524 -12.3524 0.7790 0.7790 3.1048 3.1048 3.5944 3.5944 11.6825 11.6825 15.6727 15.6727 16.6627 16.6627 17.7393 17.7393 k = 0.1118-0.1357-0.0851 ( 522 PWs) bands (ev): -12.3178 -12.3178 0.8139 0.8139 2.9849 2.9849 3.5347 3.5347 11.7300 11.7300 15.6759 15.6759 16.7951 16.7951 17.6323 17.6323 k = 0.1184-0.1437-0.0901 ( 521 PWs) bands (ev): -12.2812 -12.2812 0.8508 0.8508 2.8602 2.8602 3.4730 3.4730 11.7803 11.7803 15.6775 15.6775 16.9338 16.9338 17.5206 17.5206 k = 0.1250-0.1517-0.0951 ( 525 PWs) bands (ev): -12.2424 -12.2424 0.8897 0.8897 2.7306 2.7306 3.4095 3.4095 11.8332 11.8332 15.6774 15.6774 17.0784 17.0784 17.4044 17.4044 k = 0.1316-0.1597-0.1001 ( 525 PWs) bands (ev): -12.2016 -12.2016 0.9307 0.9307 2.5967 2.5967 3.3444 3.3444 11.8889 11.8889 15.6754 15.6754 17.2288 17.2288 17.2842 17.2842 k = 0.1382-0.1677-0.1051 ( 525 PWs) bands (ev): -12.1586 -12.1586 0.9737 0.9737 2.4588 2.4588 3.2779 3.2779 11.9471 11.9471 15.6715 15.6715 17.1602 17.1602 17.3848 17.3848 k = 0.1447-0.1756-0.1101 ( 523 PWs) bands (ev): -12.1137 -12.1137 1.0186 1.0186 2.3173 2.3173 3.2104 3.2104 12.0078 12.0078 15.6656 15.6656 17.0328 17.0328 17.5464 17.5464 k = 0.1513-0.1836-0.1151 ( 523 PWs) bands (ev): -12.0666 -12.0666 1.0653 1.0653 2.1723 2.1723 3.1417 3.1417 12.0711 12.0711 15.6575 15.6575 16.9024 16.9024 17.7127 17.7127 k = 0.1579-0.1916-0.1201 ( 523 PWs) bands (ev): -12.0175 -12.0175 1.1137 1.1137 2.0243 2.0243 3.0722 3.0722 12.1367 12.1367 15.6470 15.6470 16.7694 16.7694 17.8838 17.8838 k = 0.1645-0.1996-0.1252 ( 521 PWs) bands (ev): -11.9663 -11.9663 1.1634 1.1634 1.8740 1.8740 3.0020 3.0020 12.2045 12.2045 15.6341 15.6341 16.6345 16.6345 18.0596 18.0596 k = 0.1711-0.2076-0.1302 ( 522 PWs) bands (ev): -11.9131 -11.9131 1.2134 1.2134 1.7224 1.7224 2.9313 2.9313 12.2745 12.2745 15.6182 15.6182 16.4982 16.4982 18.2397 18.2397 k = 0.1776-0.2156-0.1352 ( 524 PWs) bands (ev): -11.8579 -11.8579 1.2599 1.2599 1.5737 1.5737 2.8602 2.8602 12.3463 12.3463 15.5989 15.5989 16.3617 16.3617 18.4240 18.4240 k = 0.1842-0.2235-0.1402 ( 519 PWs) bands (ev): -11.8005 -11.8005 1.2811 1.2811 1.4501 1.4501 2.7891 2.7891 12.4200 12.4200 15.5753 15.5753 16.2265 16.2265 18.6129 18.6129 k = 0.1908-0.2315-0.1452 ( 519 PWs) bands (ev): -11.7412 -11.7412 1.1966 1.1966 1.4318 1.4318 2.7178 2.7178 12.4951 12.4951 15.5456 15.5456 16.0945 16.0945 18.8049 18.8049 k = 0.1974-0.2395-0.1502 ( 519 PWs) bands (ev): -11.6798 -11.6798 1.0482 1.0482 1.4774 1.4774 2.6465 2.6465 12.5712 12.5712 15.5069 15.5069 15.9696 15.9696 19.0005 19.0005 k = 0.2039-0.2475-0.1552 ( 517 PWs) bands (ev): -11.6164 -11.6164 0.8872 0.8872 1.5357 1.5357 2.5755 2.5755 12.6480 12.6480 15.4544 15.4544 15.8571 15.8571 19.1995 19.1995 k = 0.2105-0.2555-0.1602 ( 517 PWs) bands (ev): -11.5510 -11.5510 0.7217 0.7217 1.5988 1.5988 2.5047 2.5047 12.7247 12.7247 15.3828 15.3828 15.7634 15.7634 19.4015 19.4015 k = 0.2171-0.2635-0.1652 ( 517 PWs) bands (ev): -11.4835 -11.4835 0.5535 0.5535 1.6650 1.6650 2.4344 2.4344 12.8007 12.8007 15.2904 15.2904 15.6911 15.6911 19.6066 19.6066 k = 0.2237-0.2714-0.1702 ( 517 PWs) bands (ev): -11.4140 -11.4140 0.3836 0.3836 1.7337 1.7337 2.3646 2.3646 12.8746 12.8746 15.1822 15.1822 15.6368 15.6368 19.8144 19.8144 k = 0.2303-0.2794-0.1752 ( 517 PWs) bands (ev): -11.3426 -11.3426 0.2121 0.2121 1.8046 1.8046 2.2954 2.2954 12.9450 12.9450 15.0660 15.0660 15.5944 15.5944 20.0246 20.0246 k = 0.2368-0.2874-0.1802 ( 517 PWs) bands (ev): -11.2692 -11.2692 0.0394 0.0394 1.8776 1.8776 2.2269 2.2269 13.0095 13.0095 14.9493 14.9493 15.5591 15.5591 20.2372 20.2372 k = 0.2434-0.2954-0.1852 ( 515 PWs) bands (ev): -11.1937 -11.1937 -0.1342 -0.1342 1.9526 1.9526 2.1593 2.1593 13.0652 13.0652 14.8382 14.8382 15.5280 15.5280 20.4520 20.4520 k = 0.2500-0.3034-0.1902 ( 515 PWs) bands (ev): -11.1163 -11.1163 -0.3087 -0.3087 2.0295 2.0295 2.0926 2.0926 13.1080 13.1080 14.7385 14.7385 15.4995 15.4995 20.6686 20.6686 k = 0.2566-0.3114-0.1952 ( 514 PWs) bands (ev): -11.0369 -11.0369 -0.4839 -0.4839 2.0268 2.0268 2.1084 2.1084 13.1329 13.1329 14.6563 14.6563 15.4729 15.4729 20.8869 20.8869 k = 0.2632-0.3193-0.2002 ( 514 PWs) bands (ev): -10.9556 -10.9556 -0.6597 -0.6597 1.9621 1.9621 2.1890 2.1890 13.1347 13.1347 14.5976 14.5976 15.4476 15.4476 21.1066 21.1066 k = 0.2697-0.3273-0.2052 ( 512 PWs) bands (ev): -10.8723 -10.8723 -0.8359 -0.8359 1.8986 1.8986 2.2715 2.2715 13.1093 13.1093 14.5667 14.5667 15.4235 15.4235 21.3275 21.3275 k = 0.2763-0.3353-0.2103 ( 514 PWs) bands (ev): -10.7870 -10.7870 -1.0123 -1.0123 1.8361 1.8361 2.3557 2.3557 13.0554 13.0554 14.5652 14.5652 15.4004 15.4004 21.5492 21.5492 k = 0.2829-0.3433-0.2153 ( 516 PWs) bands (ev): -10.6999 -10.6999 -1.1891 -1.1891 1.7750 1.7750 2.4415 2.4415 12.9752 12.9752 14.5908 14.5908 15.3788 15.3788 21.7717 21.7717 k = 0.2895-0.3513-0.2203 ( 516 PWs) bands (ev): -10.6108 -10.6108 -1.3658 -1.3658 1.7152 1.7152 2.5290 2.5290 12.8730 12.8730 14.6393 14.6393 15.3589 15.3589 21.9946 21.9946 k = 0.2961-0.3593-0.2253 ( 518 PWs) bands (ev): -10.5198 -10.5198 -1.5427 -1.5427 1.6568 1.6568 2.6182 2.6182 12.7538 12.7538 14.7052 14.7052 15.3414 15.3414 22.2177 22.2177 k = 0.3026-0.3673-0.2303 ( 517 PWs) bands (ev): -10.4269 -10.4269 -1.7194 -1.7194 1.5998 1.5998 2.7089 2.7089 12.6218 12.6218 14.7829 14.7829 15.3278 15.3278 22.4408 22.4408 k = 0.3092-0.3752-0.2353 ( 517 PWs) bands (ev): -10.3321 -10.3321 -1.8958 -1.8958 1.5443 1.5443 2.8011 2.8011 12.4807 12.4807 14.8664 14.8664 15.3207 15.3207 22.6631 22.6631 k = 0.3158-0.3832-0.2403 ( 517 PWs) bands (ev): -10.2355 -10.2355 -2.0718 -2.0718 1.4902 1.4902 2.8946 2.8946 12.3328 12.3328 14.9478 14.9478 15.3257 15.3257 22.8845 22.8846 k = 0.3224-0.3912-0.2453 ( 519 PWs) bands (ev): -10.1370 -10.1370 -2.2477 -2.2477 1.4378 1.4378 2.9895 2.9895 12.1803 12.1803 15.0154 15.0154 15.3527 15.3527 22.8945 22.8945 k = 0.3289-0.3992-0.2503 ( 519 PWs) bands (ev): -10.0367 -10.0367 -2.4229 -2.4229 1.3870 1.3870 3.0856 3.0856 12.0246 12.0246 15.0581 15.0581 15.4115 15.4115 22.8618 22.8618 k = 0.3355-0.4072-0.2553 ( 520 PWs) bands (ev): -9.9346 -9.9346 -2.5975 -2.5975 1.3378 1.3378 3.1829 3.1829 11.8668 11.8668 15.0758 15.0758 15.5012 15.5012 22.8166 22.8167 k = 0.3421-0.4152-0.2603 ( 514 PWs) bands (ev): -9.8306 -9.8306 -2.7715 -2.7715 1.2903 1.2903 3.2813 3.2813 11.7078 11.7078 15.0777 15.0777 15.6123 15.6123 22.7602 22.7602 k = 0.3487-0.4231-0.2653 ( 516 PWs) bands (ev): -9.7249 -9.7249 -2.9447 -2.9447 1.2444 1.2444 3.3805 3.3805 11.5482 11.5482 15.0711 15.0711 15.7364 15.7364 22.6923 22.6923 k = 0.3553-0.4311-0.2703 ( 518 PWs) bands (ev): -9.6175 -9.6175 -3.1172 -3.1172 1.2002 1.2002 3.4805 3.4805 11.3888 11.3888 15.0603 15.0603 15.8692 15.8692 22.6143 22.6143 k = 0.3618-0.4391-0.2753 ( 518 PWs) bands (ev): -9.5084 -9.5084 -3.2889 -3.2889 1.1579 1.1579 3.5811 3.5811 11.2299 11.2299 15.0473 15.0473 16.0081 16.0081 22.5270 22.5270 k = 0.3684-0.4471-0.2803 ( 518 PWs) bands (ev): -9.3976 -9.3976 -3.4595 -3.4595 1.1174 1.1174 3.6822 3.6822 11.0722 11.0722 15.0334 15.0334 16.1518 16.1518 22.4312 22.4312 k = 0.3750-0.4551-0.2853 ( 520 PWs) bands (ev): -9.2851 -9.2851 -3.6293 -3.6293 1.0788 1.0788 3.7834 3.7834 10.9160 10.9160 15.0191 15.0191 16.2996 16.2996 22.3276 22.3276 k = 0.3816-0.4631-0.2903 ( 520 PWs) bands (ev): -9.1711 -9.1711 -3.7979 -3.7979 1.0420 1.0420 3.8848 3.8848 10.7617 10.7617 15.0048 15.0048 16.4507 16.4507 22.2169 22.2169 k = 0.3882-0.4710-0.2954 ( 520 PWs) bands (ev): -9.0555 -9.0555 -3.9652 -3.9652 1.0070 1.0070 3.9858 3.9858 10.6099 10.6099 14.9907 14.9907 16.6048 16.6048 22.0997 22.0997 k = 0.3947-0.4790-0.3004 ( 520 PWs) bands (ev): -8.9384 -8.9384 -4.1312 -4.1312 0.9740 0.9740 4.0863 4.0863 10.4609 10.4609 14.9771 14.9771 16.7617 16.7617 21.9765 21.9765 k = 0.4013-0.4870-0.3054 ( 520 PWs) bands (ev): -8.8200 -8.8200 -4.2958 -4.2958 0.9428 0.9428 4.1859 4.1859 10.3152 10.3152 14.9640 14.9640 16.9210 16.9210 21.8476 21.8476 k = 0.4079-0.4950-0.3104 ( 520 PWs) bands (ev): -8.7002 -8.7002 -4.4588 -4.4588 0.9136 0.9136 4.2843 4.2843 10.1734 10.1734 14.9515 14.9515 17.0825 17.0825 21.7137 21.7137 k = 0.4145-0.5030-0.3154 ( 520 PWs) bands (ev): -8.5792 -8.5792 -4.6202 -4.6202 0.8863 0.8863 4.3809 4.3809 10.0359 10.0359 14.9397 14.9397 17.2460 17.2460 21.5749 21.5749 k = 0.4211-0.5110-0.3204 ( 520 PWs) bands (ev): -8.4572 -8.4572 -4.7797 -4.7797 0.8610 0.8610 4.4753 4.4753 9.9034 9.9034 14.9286 14.9286 17.4114 17.4114 21.4318 21.4318 k = 0.4276-0.5189-0.3254 ( 520 PWs) bands (ev): -8.3344 -8.3344 -4.9371 -4.9371 0.8377 0.8377 4.5669 4.5669 9.7765 9.7765 14.9183 14.9183 17.5784 17.5784 21.2845 21.2845 k = 0.4342-0.5269-0.3304 ( 517 PWs) bands (ev): -8.2109 -8.2109 -5.0922 -5.0922 0.8164 0.8164 4.6551 4.6551 9.6559 9.6559 14.9088 14.9088 17.7470 17.7470 21.1336 21.1336 k = 0.4408-0.5349-0.3354 ( 518 PWs) bands (ev): -8.0872 -8.0872 -5.2446 -5.2446 0.7970 0.7970 4.7389 4.7389 9.5425 9.5425 14.9001 14.9001 17.9168 17.9168 20.9791 20.9791 k = 0.4474-0.5429-0.3404 ( 518 PWs) bands (ev): -7.9638 -7.9638 -5.3937 -5.3937 0.7797 0.7797 4.8178 4.8178 9.4371 9.4371 14.8923 14.8923 18.0877 18.0877 20.8214 20.8214 k = 0.4539-0.5509-0.3454 ( 516 PWs) bands (ev): -7.8413 -7.8413 -5.5389 -5.5389 0.7644 0.7644 4.8908 4.8908 9.3406 9.3406 14.8854 14.8854 18.2596 18.2596 20.6610 20.6610 k = 0.4605-0.5589-0.3504 ( 516 PWs) bands (ev): -7.7210 -7.7210 -5.6790 -5.6790 0.7511 0.7511 4.9569 4.9569 9.2541 9.2541 14.8793 14.8793 18.4322 18.4322 20.4981 20.4981 k = 0.4671-0.5668-0.3554 ( 516 PWs) bands (ev): -7.6043 -7.6043 -5.8123 -5.8123 0.7399 0.7399 5.0151 5.0151 9.1785 9.1785 14.8742 14.8742 18.6053 18.6053 20.3330 20.3330 k = 0.4737-0.5748-0.3604 ( 516 PWs) bands (ev): -7.4939 -7.4939 -5.9364 -5.9364 0.7307 0.7307 5.0644 5.0644 9.1148 9.1148 14.8700 14.8700 18.7786 18.7786 20.1662 20.1662 k = 0.4803-0.5828-0.3654 ( 520 PWs) bands (ev): -7.3941 -7.3941 -6.0471 -6.0471 0.7234 0.7234 5.1039 5.1039 9.0642 9.0642 14.8666 14.8666 18.9516 18.9516 19.9980 19.9980 k = 0.4868-0.5908-0.3704 ( 522 PWs) bands (ev): -7.3112 -7.3112 -6.1375 -6.1375 0.7182 0.7182 5.1328 5.1328 9.0273 9.0273 14.8643 14.8643 19.1235 19.1235 19.8295 19.8295 k = 0.4934-0.5988-0.3755 ( 522 PWs) bands (ev): -7.2547 -7.2547 -6.1986 -6.1986 0.7151 0.7151 5.1504 5.1504 9.0049 9.0049 14.8629 14.8629 19.2911 19.2911 19.6640 19.6640 k = 0.5000-0.6068-0.3805 ( 528 PWs) bands (ev): -7.2344 -7.2344 -6.2205 -6.2205 0.7137 0.7137 5.1564 5.1564 8.9973 8.9973 14.8622 14.8622 19.4087 19.4087 19.5469 19.5469 k = 0.5000-0.6068-0.3805 ( 528 PWs) bands (ev): -7.2344 -7.2344 -6.2205 -6.2205 0.7137 0.7137 5.1564 5.1564 8.9973 8.9973 14.8622 14.8622 19.4087 19.4087 19.5469 19.5469 k = 0.5000-0.6007-0.3901 ( 524 PWs) bands (ev): -7.2335 -7.2335 -6.2196 -6.2196 0.7094 0.7094 5.1576 5.1576 8.9968 8.9968 14.8690 14.8690 19.4073 19.4073 19.5479 19.5479 k = 0.5000-0.5946-0.3998 ( 522 PWs) bands (ev): -7.2307 -7.2307 -6.2168 -6.2168 0.6952 0.6952 5.1615 5.1615 8.9950 8.9950 14.8886 14.8886 19.4028 19.4028 19.5508 19.5508 k = 0.5000-0.5886-0.4095 ( 520 PWs) bands (ev): -7.2262 -7.2262 -6.2122 -6.2122 0.6717 0.6717 5.1679 5.1679 8.9921 8.9921 14.9212 14.9212 19.3953 19.3953 19.5556 19.5556 k = 0.5000-0.5825-0.4191 ( 516 PWs) bands (ev): -7.2198 -7.2198 -6.2057 -6.2057 0.6391 0.6391 5.1769 5.1769 8.9878 8.9878 14.9666 14.9666 19.3847 19.3847 19.5623 19.5623 k = 0.5000-0.5765-0.4288 ( 516 PWs) bands (ev): -7.2116 -7.2116 -6.1975 -6.1975 0.5974 0.5974 5.1884 5.1884 8.9823 8.9823 15.0247 15.0247 19.3709 19.3709 19.5710 19.5710 k = 0.5000-0.5704-0.4385 ( 516 PWs) bands (ev): -7.2016 -7.2016 -6.1874 -6.1874 0.5469 0.5469 5.2024 5.2024 8.9754 8.9754 15.0951 15.0951 19.3537 19.3537 19.5815 19.5815 k = 0.5000-0.5643-0.4481 ( 516 PWs) bands (ev): -7.1897 -7.1897 -6.1755 -6.1755 0.4880 0.4880 5.2190 5.2190 8.9671 8.9671 15.1776 15.1776 19.3330 19.3330 19.5938 19.5938 k = 0.5000-0.5583-0.4578 ( 514 PWs) bands (ev): -7.1760 -7.1760 -6.1618 -6.1618 0.4209 0.4209 5.2382 5.2382 8.9574 8.9574 15.2718 15.2718 19.3086 19.3086 19.6080 19.6080 k = 0.5000-0.5522-0.4675 ( 514 PWs) bands (ev): -7.1606 -7.1606 -6.1463 -6.1463 0.3461 0.3461 5.2599 5.2599 8.9461 8.9461 15.3774 15.3774 19.2804 19.2804 19.6241 19.6241 k = 0.5000-0.5462-0.4771 ( 516 PWs) bands (ev): -7.1433 -7.1433 -6.1291 -6.1291 0.2639 0.2639 5.2841 5.2841 8.9329 8.9329 15.4938 15.4938 19.2482 19.2482 19.6419 19.6419 k = 0.5000-0.5401-0.4868 ( 514 PWs) bands (ev): -7.1242 -7.1242 -6.1101 -6.1101 0.1747 0.1747 5.3109 5.3109 8.9182 8.9182 15.6208 15.6208 19.2117 19.2117 19.6616 19.6616 k = 0.5000-0.5340-0.4965 ( 516 PWs) bands (ev): -7.1033 -7.1033 -6.0894 -6.0894 0.0788 0.0788 5.3402 5.3402 8.9015 8.9015 15.7579 15.7579 19.1709 19.1709 19.6829 19.6829 k = 0.5000-0.5280-0.5061 ( 516 PWs) bands (ev): -7.0806 -7.0806 -6.0670 -6.0670 -0.0231 -0.0231 5.3720 5.3720 8.8828 8.8828 15.9046 15.9046 19.1256 19.1256 19.7060 19.7060 k = 0.5000-0.5219-0.5158 ( 516 PWs) bands (ev): -7.0560 -7.0560 -6.0429 -6.0429 -0.1307 -0.1307 5.4064 5.4064 8.8620 8.8620 16.0604 16.0604 19.0758 19.0758 19.7308 19.7308 k = 0.5000-0.5158-0.5255 ( 516 PWs) bands (ev): -7.0296 -7.0296 -6.0172 -6.0172 -0.2436 -0.2436 5.4434 5.4434 8.8389 8.8389 16.2249 16.2249 19.0214 19.0214 19.7571 19.7571 k = 0.5000-0.5098-0.5351 ( 516 PWs) bands (ev): -7.0014 -7.0014 -5.9898 -5.9898 -0.3613 -0.3613 5.4828 5.4828 8.8134 8.8134 16.3976 16.3976 18.9626 18.9626 19.7851 19.7851 k = 0.5000-0.5037-0.5448 ( 518 PWs) bands (ev): -6.9715 -6.9715 -5.9610 -5.9610 -0.4834 -0.4834 5.5248 5.5248 8.7852 8.7852 16.5780 16.5780 18.8995 18.8995 19.8145 19.8145 k = 0.5000-0.4977-0.5545 ( 518 PWs) bands (ev): -6.9397 -6.9397 -5.9305 -5.9305 -0.6094 -0.6094 5.5693 5.5693 8.7543 8.7543 16.7658 16.7658 18.8325 18.8325 19.8455 19.8455 k = 0.5000-0.4916-0.5641 ( 518 PWs) bands (ev): -6.9060 -6.9060 -5.8986 -5.8986 -0.7390 -0.7390 5.6163 5.6163 8.7205 8.7205 16.9603 16.9603 18.7619 18.7619 19.8778 19.8778 k = 0.5000-0.4855-0.5738 ( 518 PWs) bands (ev): -6.8706 -6.8706 -5.8653 -5.8653 -0.8718 -0.8718 5.6658 5.6658 8.6835 8.6835 17.1612 17.1612 18.6882 18.6882 19.9115 19.9115 k = 0.5000-0.4795-0.5835 ( 518 PWs) bands (ev): -6.8334 -6.8334 -5.8307 -5.8307 -1.0073 -1.0073 5.7178 5.7178 8.6434 8.6434 17.3680 17.3680 18.6120 18.6120 19.9465 19.9465 k = 0.5000-0.4734-0.5931 ( 516 PWs) bands (ev): -6.7943 -6.7943 -5.7949 -5.7949 -1.1451 -1.1451 5.7724 5.7724 8.5998 8.5998 17.5802 17.5802 18.5339 18.5339 19.9828 19.9828 k = 0.5000-0.4674-0.6028 ( 516 PWs) bands (ev): -6.7534 -6.7534 -5.7579 -5.7579 -1.2848 -1.2848 5.8294 5.8294 8.5526 8.5526 17.7973 17.7973 18.4547 18.4547 20.0202 20.0202 k = 0.5000-0.4613-0.6125 ( 518 PWs) bands (ev): -6.7108 -6.7108 -5.7200 -5.7200 -1.4260 -1.4260 5.8888 5.8888 8.5017 8.5017 18.0189 18.0189 18.3751 18.3751 20.0588 20.0588 k = 0.5000-0.4552-0.6221 ( 518 PWs) bands (ev): -6.6663 -6.6663 -5.6812 -5.6812 -1.5683 -1.5683 5.9508 5.9508 8.4470 8.4470 18.2443 18.2443 18.2958 18.2958 20.0985 20.0985 k = 0.5000-0.4492-0.6318 ( 514 PWs) bands (ev): -6.6200 -6.6200 -5.6417 -5.6417 -1.7112 -1.7112 6.0152 6.0152 8.3883 8.3883 18.2176 18.2176 18.4733 18.4733 20.1395 20.1395 k = 0.5000-0.4431-0.6415 ( 514 PWs) bands (ev): -6.5719 -6.5719 -5.6017 -5.6017 -1.8544 -1.8544 6.0821 6.0821 8.3254 8.3254 18.1413 18.1413 18.7047 18.7047 20.1819 20.1819 k = 0.5000-0.4371-0.6511 ( 512 PWs) bands (ev): -6.5220 -6.5220 -5.5616 -5.5616 -1.9972 -1.9972 6.1515 6.1515 8.2585 8.2585 18.0674 18.0674 18.9380 18.9380 20.2259 20.2259 k = 0.5000-0.4310-0.6608 ( 512 PWs) bands (ev): -6.4703 -6.4703 -5.5216 -5.5216 -2.1394 -2.1394 6.2233 6.2233 8.1872 8.1872 17.9966 17.9966 19.1715 19.1715 20.2722 20.2722 k = 0.5000-0.4249-0.6705 ( 514 PWs) bands (ev): -6.4169 -6.4169 -5.4821 -5.4821 -2.2801 -2.2801 6.2974 6.2974 8.1116 8.1116 17.9295 17.9295 19.4036 19.4036 20.3223 20.3223 k = 0.5000-0.4189-0.6801 ( 514 PWs) bands (ev): -6.3616 -6.3616 -5.4435 -5.4435 -2.4189 -2.4189 6.3741 6.3741 8.0317 8.0317 17.8665 17.8665 19.6306 19.6306 20.3789 20.3789 k = 0.5000-0.4128-0.6898 ( 520 PWs) bands (ev): -6.3046 -6.3046 -5.4066 -5.4066 -2.5550 -2.5550 6.4531 6.4531 7.9470 7.9470 17.8080 17.8080 19.8457 19.8457 20.4483 20.4483 k = 0.5000-0.4067-0.6995 ( 522 PWs) bands (ev): -6.2457 -6.2457 -5.3719 -5.3719 -2.6873 -2.6873 6.5344 6.5344 7.8584 7.8584 17.7546 17.7546 20.0363 20.0363 20.5426 20.5426 k = 0.5000-0.4007-0.7091 ( 520 PWs) bands (ev): -6.1851 -6.1851 -5.3404 -5.3404 -2.8148 -2.8148 6.6183 6.6183 7.7655 7.7655 17.7064 17.7064 20.1855 20.1855 20.6786 20.6786 k = 0.5000-0.3946-0.7188 ( 520 PWs) bands (ev): -6.1227 -6.1227 -5.3132 -5.3132 -2.9365 -2.9365 6.7045 6.7045 7.6684 7.6684 17.6638 17.6638 20.2878 20.2878 20.8595 20.8595 k = 0.5000-0.3886-0.7285 ( 520 PWs) bands (ev): -6.0585 -6.0585 -5.2915 -5.2915 -3.0508 -3.0508 6.7932 6.7932 7.5671 7.5671 17.6269 17.6269 20.3571 20.3571 21.0713 21.0713 k = 0.5000-0.3825-0.7381 ( 522 PWs) bands (ev): -5.9925 -5.9925 -5.2771 -5.2771 -3.1563 -3.1563 6.8842 6.8842 7.4618 7.4618 17.5958 17.5958 20.4074 20.4074 21.2792 21.2792 k = 0.5000-0.3764-0.7478 ( 522 PWs) bands (ev): -5.9247 -5.9247 -5.2714 -5.2714 -3.2508 -3.2508 6.9775 6.9775 7.3527 7.3527 17.5705 17.5705 20.4462 20.4462 21.2431 21.2431 k = 0.5000-0.3704-0.7575 ( 522 PWs) bands (ev): -5.8552 -5.8552 -5.2763 -5.2763 -3.3325 -3.3325 7.0732 7.0732 7.2398 7.2398 17.5512 17.5512 20.4770 20.4770 21.2070 21.2070 k = 0.5000-0.3643-0.7671 ( 522 PWs) bands (ev): -5.7838 -5.7838 -5.2935 -5.2935 -3.3999 -3.3999 7.1233 7.1233 7.1712 7.1712 17.5377 17.5377 20.5012 20.5012 21.1706 21.1706 k = 0.5000-0.3583-0.7768 ( 522 PWs) bands (ev): -5.7107 -5.7107 -5.3244 -5.3244 -3.4513 -3.4513 7.0034 7.0034 7.2715 7.2715 17.5301 17.5301 20.5196 20.5196 21.1342 21.1342 k = 0.5000-0.3522-0.7864 ( 522 PWs) bands (ev): -5.6359 -5.6359 -5.3695 -5.3695 -3.4862 -3.4862 6.8803 6.8803 7.3741 7.3741 17.5282 17.5282 20.5324 20.5324 21.0974 21.0974 k = 0.5000-0.3461-0.7961 ( 522 PWs) bands (ev): -5.5593 -5.5593 -5.4287 -5.4287 -3.5044 -3.5044 6.7542 6.7542 7.4790 7.4790 17.5318 17.5318 20.5396 20.5396 21.0602 21.0602 k = 0.5000-0.3401-0.8058 ( 522 PWs) bands (ev): -5.5015 -5.5015 -5.4809 -5.4809 -3.5069 -3.5069 6.6254 6.6254 7.5861 7.5861 17.5410 17.5410 20.5409 20.5409 21.0225 21.0225 k = 0.5000-0.3340-0.8154 ( 522 PWs) bands (ev): -5.5861 -5.5861 -5.4009 -5.4009 -3.4947 -3.4947 6.4939 6.4939 7.6955 7.6955 17.5553 17.5553 20.5363 20.5363 20.9842 20.9842 k = 0.5000-0.3280-0.8251 ( 528 PWs) bands (ev): -5.6813 -5.6813 -5.3191 -5.3191 -3.4697 -3.4697 6.3599 6.3599 7.8071 7.8071 17.5747 17.5747 20.5254 20.5254 20.9449 20.9449 k = 0.5000-0.3219-0.8348 ( 528 PWs) bands (ev): -5.7850 -5.7850 -5.2355 -5.2355 -3.4333 -3.4333 6.2239 6.2239 7.9209 7.9209 17.5990 17.5990 20.5084 20.5084 20.9054 20.9054 k = 0.5000-0.3158-0.8444 ( 528 PWs) bands (ev): -5.8958 -5.8958 -5.1502 -5.1502 -3.3873 -3.3873 6.0860 6.0860 8.0368 8.0368 17.6278 17.6278 20.4850 20.4850 20.8651 20.8651 k = 0.5000-0.3098-0.8541 ( 528 PWs) bands (ev): -6.0121 -6.0121 -5.0632 -5.0632 -3.3329 -3.3329 5.9463 5.9463 8.1550 8.1550 17.6610 17.6610 20.4552 20.4552 20.8242 20.8242 k = 0.5000-0.3037-0.8638 ( 526 PWs) bands (ev): -6.1329 -6.1329 -4.9743 -4.9743 -3.2713 -3.2713 5.8051 5.8051 8.2753 8.2753 17.6982 17.6982 20.4190 20.4190 20.7826 20.7826 k = 0.5000-0.2976-0.8734 ( 520 PWs) bands (ev): -6.2570 -6.2570 -4.8839 -4.8839 -3.2035 -3.2035 5.6626 5.6626 8.3977 8.3977 17.7392 17.7392 20.3764 20.3764 20.7404 20.7404 k = 0.8034-0.1887-0.6484 ( 520 PWs) bands (ev): -6.2570 -6.2570 -4.8839 -4.8839 -3.2035 -3.2035 5.6626 5.6626 8.3977 8.3977 17.7392 17.7392 20.3764 20.3764 20.7404 20.7404 k = 0.7995-0.1840-0.6386 ( 522 PWs) bands (ev): -6.3849 -6.3849 -4.7908 -4.7908 -3.1299 -3.1299 5.5176 5.5176 8.5234 8.5234 17.7841 17.7841 20.3271 20.3271 20.6972 20.6972 k = 0.7956-0.1793-0.6289 ( 522 PWs) bands (ev): -6.5146 -6.5146 -4.6961 -4.6961 -3.0516 -3.0516 5.3716 5.3716 8.6511 8.6511 17.8322 17.8322 20.2717 20.2717 20.6533 20.6533 k = 0.7917-0.1746-0.6191 ( 522 PWs) bands (ev): -6.6455 -6.6455 -4.5996 -4.5996 -2.9690 -2.9690 5.2250 5.2250 8.7811 8.7811 17.8832 17.8832 20.2104 20.2104 20.6089 20.6089 k = 0.7879-0.1699-0.6094 ( 520 PWs) bands (ev): -6.7773 -6.7773 -4.5013 -4.5013 -2.8828 -2.8828 5.0777 5.0777 8.9130 8.9130 17.9366 17.9366 20.1437 20.1437 20.5640 20.5640 k = 0.7840-0.1651-0.5996 ( 524 PWs) bands (ev): -6.9097 -6.9097 -4.4014 -4.4014 -2.7933 -2.7933 4.9298 4.9298 9.0469 9.0469 17.9923 17.9923 20.0717 20.0717 20.5185 20.5185 k = 0.7801-0.1604-0.5899 ( 526 PWs) bands (ev): -7.0420 -7.0420 -4.2998 -4.2998 -2.7008 -2.7008 4.7819 4.7819 9.1828 9.1828 18.0497 18.0497 19.9950 19.9950 20.4725 20.4725 k = 0.7762-0.1557-0.5801 ( 528 PWs) bands (ev): -7.1741 -7.1741 -4.1966 -4.1966 -2.6056 -2.6056 4.6340 4.6340 9.3206 9.3206 18.1085 18.1085 19.9136 19.9136 20.4260 20.4260 k = 0.7723-0.1510-0.5703 ( 528 PWs) bands (ev): -7.3059 -7.3059 -4.0915 -4.0915 -2.5077 -2.5077 4.4861 4.4861 9.4604 9.4604 18.1683 18.1683 19.8285 19.8285 20.3792 20.3792 k = 0.7684-0.1463-0.5606 ( 528 PWs) bands (ev): -7.4370 -7.4370 -3.9850 -3.9850 -2.4075 -2.4075 4.3385 4.3385 9.6021 9.6021 18.2287 18.2287 19.7399 19.7399 20.3322 20.3322 k = 0.7645-0.1415-0.5508 ( 528 PWs) bands (ev): -7.5674 -7.5674 -3.8767 -3.8767 -2.3052 -2.3052 4.1912 4.1912 9.7456 9.7456 18.2892 18.2892 19.6482 19.6482 20.2849 20.2849 k = 0.7606-0.1368-0.5411 ( 526 PWs) bands (ev): -7.6969 -7.6969 -3.7668 -3.7668 -2.2009 -2.2009 4.0445 4.0445 9.8910 9.8910 18.3495 18.3495 19.5537 19.5537 20.2374 20.2374 k = 0.7567-0.1321-0.5313 ( 526 PWs) bands (ev): -7.8255 -7.8255 -3.6553 -3.6553 -2.0947 -2.0947 3.8983 3.8983 10.0381 10.0381 18.4089 18.4089 19.4569 19.4569 20.1897 20.1897 k = 0.7528-0.1274-0.5216 ( 528 PWs) bands (ev): -7.9529 -7.9529 -3.5423 -3.5423 -1.9868 -1.9868 3.7530 3.7530 10.1869 10.1869 18.4672 18.4672 19.3580 19.3580 20.1419 20.1419 k = 0.7490-0.1226-0.5118 ( 526 PWs) bands (ev): -8.0791 -8.0791 -3.4275 -3.4275 -1.8771 -1.8771 3.6084 3.6084 10.3374 10.3374 18.5237 18.5237 19.2575 19.2575 20.0940 20.0940 k = 0.7451-0.1179-0.5021 ( 528 PWs) bands (ev): -8.2041 -8.2041 -3.3113 -3.3113 -1.7660 -1.7660 3.4648 3.4648 10.4896 10.4896 18.5781 18.5781 19.1556 19.1556 20.0460 20.0460 k = 0.7412-0.1132-0.4923 ( 528 PWs) bands (ev): -8.3277 -8.3277 -3.1935 -3.1935 -1.6534 -1.6534 3.3223 3.3223 10.6433 10.6433 18.6298 18.6298 19.0528 19.0528 19.9981 19.9981 k = 0.7373-0.1085-0.4825 ( 528 PWs) bands (ev): -8.4498 -8.4498 -3.0741 -3.0741 -1.5394 -1.5394 3.1809 3.1809 10.7986 10.7986 18.6784 18.6784 18.9493 18.9493 19.9502 19.9502 k = 0.7334-0.1038-0.4728 ( 528 PWs) bands (ev): -8.5706 -8.5706 -2.9533 -2.9533 -1.4242 -1.4242 3.0408 3.0408 10.9553 10.9553 18.7235 18.7235 18.8453 18.8453 19.9025 19.9025 k = 0.7295-0.0990-0.4630 ( 530 PWs) bands (ev): -8.6898 -8.6898 -2.8310 -2.8310 -1.3077 -1.3077 2.9018 2.9018 11.1135 11.1135 18.7410 18.7410 18.7647 18.7647 19.8548 19.8548 k = 0.7256-0.0943-0.4533 ( 530 PWs) bands (ev): -8.8074 -8.8074 -2.7071 -2.7071 -1.1902 -1.1902 2.7644 2.7644 11.2730 11.2730 18.6369 18.6369 18.8013 18.8013 19.8074 19.8074 k = 0.7217-0.0896-0.4435 ( 530 PWs) bands (ev): -8.9235 -8.9235 -2.5819 -2.5819 -1.0716 -1.0716 2.6285 2.6285 11.4338 11.4338 18.5330 18.5330 18.8333 18.8333 19.7603 19.7603 k = 0.7178-0.0849-0.4338 ( 530 PWs) bands (ev): -9.0378 -9.0378 -2.4552 -2.4552 -0.9521 -0.9521 2.4941 2.4941 11.5959 11.5959 18.4295 18.4295 18.8602 18.8602 19.7134 19.7134 k = 0.7139-0.0802-0.4240 ( 528 PWs) bands (ev): -9.1505 -9.1505 -2.3270 -2.3270 -0.8316 -0.8316 2.3613 2.3613 11.7592 11.7592 18.3266 18.3266 18.8818 18.8818 19.6669 19.6669 k = 0.7101-0.0754-0.4143 ( 528 PWs) bands (ev): -9.2615 -9.2615 -2.1976 -2.1976 -0.7104 -0.7104 2.2302 2.2302 11.9235 11.9235 18.2245 18.2245 18.8979 18.8979 19.6207 19.6207 k = 0.7062-0.0707-0.4045 ( 528 PWs) bands (ev): -9.3707 -9.3707 -2.0669 -2.0669 -0.5886 -0.5886 2.1008 2.1008 12.0889 12.0889 18.1233 18.1233 18.9082 18.9082 19.5750 19.5750 k = 0.7023-0.0660-0.3947 ( 528 PWs) bands (ev): -9.4782 -9.4782 -1.9348 -1.9348 -0.4661 -0.4661 1.9732 1.9732 12.2552 12.2552 18.0231 18.0231 18.9128 18.9128 19.5297 19.5297 k = 0.6984-0.0613-0.3850 ( 528 PWs) bands (ev): -9.5838 -9.5838 -1.8015 -1.8015 -0.3430 -0.3430 1.8475 1.8475 12.4223 12.4223 17.9242 17.9242 18.9115 18.9115 19.4848 19.4848 k = 0.6945-0.0566-0.3752 ( 530 PWs) bands (ev): -9.6877 -9.6877 -1.6670 -1.6670 -0.2196 -0.2196 1.7236 1.7236 12.5902 12.5902 17.8264 17.8264 18.9045 18.9045 19.4404 19.4404 k = 0.6906-0.0518-0.3655 ( 530 PWs) bands (ev): -9.7897 -9.7897 -1.5312 -1.5312 -0.0956 -0.0956 1.6017 1.6017 12.7588 12.7588 17.7302 17.7302 18.8919 18.8919 19.3964 19.3964 k = 0.6867-0.0471-0.3557 ( 528 PWs) bands (ev): -9.8899 -9.8899 -1.3944 -1.3944 0.0285 0.0285 1.4818 1.4818 12.9281 12.9281 17.6355 17.6355 18.8740 18.8740 19.3527 19.3527 k = 0.6828-0.0424-0.3460 ( 526 PWs) bands (ev): -9.9882 -9.9882 -1.2564 -1.2564 0.1530 0.1530 1.3639 1.3639 13.0981 13.0981 17.5424 17.5424 18.8509 18.8509 19.3092 19.3092 k = 0.6789-0.0377-0.3362 ( 528 PWs) bands (ev): -10.0846 -10.0846 -1.1175 -1.1175 0.2774 0.2774 1.2480 1.2480 13.2682 13.2682 17.4509 17.4509 18.8230 18.8230 19.2658 19.2658 k = 0.6750-0.0330-0.3265 ( 526 PWs) bands (ev): -10.1791 -10.1791 -0.9776 -0.9776 0.4019 0.4019 1.1343 1.1343 13.4386 13.4386 17.3613 17.3613 18.7906 18.7906 19.2225 19.2225 k = 0.6712-0.0282-0.3167 ( 524 PWs) bands (ev): -10.2716 -10.2716 -0.8366 -0.8366 0.5263 0.5263 1.0228 1.0228 13.6091 13.6091 17.2736 17.2736 18.7540 18.7540 19.1789 19.1789 k = 0.6673-0.0235-0.3069 ( 524 PWs) bands (ev): -10.3623 -10.3623 -0.6950 -0.6950 0.6505 0.6505 0.9134 0.9134 13.7796 13.7796 17.1878 17.1878 18.7136 18.7136 19.1351 19.1351 k = 0.6634-0.0188-0.2972 ( 524 PWs) bands (ev): -10.4509 -10.4509 -0.5527 -0.5527 0.7744 0.7744 0.8063 0.8063 13.9500 13.9500 17.1039 17.1039 18.6696 18.6696 19.0909 19.0909 k = 0.6595-0.0141-0.2874 ( 524 PWs) bands (ev): -10.5376 -10.5376 -0.4097 -0.4097 0.7015 0.7015 0.8980 0.8980 14.1202 14.1202 17.0221 17.0221 18.6224 18.6224 19.0463 19.0463 k = 0.6556-0.0094-0.2777 ( 524 PWs) bands (ev): -10.6224 -10.6224 -0.2662 -0.2662 0.5993 0.5993 1.0210 1.0210 14.2901 14.2901 16.9424 16.9424 18.5721 18.5721 19.0012 19.0012 k = 0.6517-0.0046-0.2679 ( 524 PWs) bands (ev): -10.7051 -10.7051 -0.1225 -0.1225 0.4997 0.4997 1.1434 1.1434 14.4594 14.4594 16.8648 16.8648 18.5189 18.5189 18.9557 18.9557 k = 0.6478 0.0001-0.2582 ( 526 PWs) bands (ev): -10.7859 -10.7859 0.0201 0.0201 0.4038 0.4038 1.2651 1.2651 14.6281 14.6281 16.7894 16.7894 18.4629 18.4629 18.9097 18.9097 k = 0.6439 0.0048-0.2484 ( 526 PWs) bands (ev): -10.8646 -10.8646 0.1558 0.1558 0.3177 0.3177 1.3860 1.3860 14.7960 14.7960 16.7163 16.7163 18.4043 18.4043 18.8633 18.8633 k = 0.6400 0.0095-0.2387 ( 526 PWs) bands (ev): -10.9414 -10.9414 0.1896 0.1896 0.3361 0.3361 1.5059 1.5059 14.9629 14.9629 16.6454 16.6454 18.3429 18.3429 18.8165 18.8165 k = 0.6361 0.0142-0.2289 ( 526 PWs) bands (ev): -11.0161 -11.0161 0.1100 0.1100 0.4705 0.4705 1.6248 1.6248 15.1287 15.1287 16.5768 16.5768 18.2790 18.2790 18.7694 18.7694 k = 0.6323 0.0190-0.2191 ( 526 PWs) bands (ev): -11.0888 -11.0888 0.0238 0.0238 0.6140 0.6140 1.7424 1.7424 15.2931 15.2931 16.5105 16.5105 18.2123 18.2123 18.7222 18.7222 k = 0.6284 0.0237-0.2094 ( 526 PWs) bands (ev): -11.1594 -11.1594 -0.0616 -0.0616 0.7591 0.7591 1.8587 1.8587 15.4561 15.4561 16.4466 16.4466 18.1429 18.1429 18.6748 18.6748 k = 0.6245 0.0284-0.1996 ( 528 PWs) bands (ev): -11.2280 -11.2280 -0.1451 -0.1451 0.9044 0.9044 1.9736 1.9736 15.6172 15.6172 16.3851 16.3851 18.0707 18.0707 18.6274 18.6274 k = 0.6206 0.0331-0.1899 ( 528 PWs) bands (ev): -11.2946 -11.2946 -0.2263 -0.2263 1.0498 1.0498 2.0869 2.0869 15.7765 15.7765 16.3260 16.3260 17.9955 17.9955 18.5801 18.5801 k = 0.6167 0.0379-0.1801 ( 528 PWs) bands (ev): -11.3591 -11.3591 -0.3052 -0.3052 1.1948 1.1948 2.1985 2.1985 15.9334 15.9334 16.2696 16.2696 17.9174 17.9174 18.5330 18.5330 k = 0.6128 0.0426-0.1704 ( 526 PWs) bands (ev): -11.4215 -11.4215 -0.3817 -0.3817 1.3394 1.3394 2.3082 2.3082 16.0867 16.0867 16.2174 16.2174 17.8363 17.8363 18.4863 18.4863 k = 0.6089 0.0473-0.1606 ( 526 PWs) bands (ev): -11.4819 -11.4819 -0.4558 -0.4558 1.4832 1.4832 2.4160 2.4160 16.1559 16.1559 16.2487 16.2487 17.7520 17.7520 18.4400 18.4400 k = 0.6050 0.0520-0.1509 ( 526 PWs) bands (ev): -11.5402 -11.5402 -0.5274 -0.5274 1.6261 1.6261 2.5216 2.5216 16.1099 16.1099 16.3951 16.3951 17.6645 17.6645 18.3942 18.3943 k = 0.6011 0.0567-0.1411 ( 528 PWs) bands (ev): -11.5964 -11.5964 -0.5965 -0.5965 1.7679 1.7679 2.6249 2.6249 16.0630 16.0630 16.5416 16.5416 17.5739 17.5739 18.3492 18.3492 k = 0.5972 0.0615-0.1314 ( 526 PWs) bands (ev): -11.6505 -11.6505 -0.6631 -0.6631 1.9084 1.9084 2.7260 2.7260 16.0182 16.0182 16.6856 16.6856 17.4803 17.4803 18.3050 18.3050 k = 0.5934 0.0662-0.1216 ( 524 PWs) bands (ev): -11.7025 -11.7025 -0.7272 -0.7272 2.0475 2.0475 2.8245 2.8245 15.9756 15.9756 16.8263 16.8263 17.3838 17.3838 18.2617 18.2617 k = 0.5895 0.0709-0.1118 ( 524 PWs) bands (ev): -11.7525 -11.7525 -0.7888 -0.7888 2.1846 2.1846 2.9202 2.9202 15.9351 15.9351 16.9635 16.9635 17.2847 17.2847 18.2195 18.2195 k = 0.5856 0.0756-0.1021 ( 524 PWs) bands (ev): -11.8003 -11.8003 -0.8478 -0.8478 2.3197 2.3197 3.0131 3.0131 15.8969 15.8969 17.0970 17.0970 17.1832 17.1832 18.1784 18.1784 k = 0.5817 0.0803-0.0923 ( 524 PWs) bands (ev): -11.8461 -11.8461 -0.9042 -0.9042 2.4525 2.4525 3.1031 3.1031 15.8609 15.8609 17.0797 17.0797 17.2265 17.2265 18.1386 18.1386 k = 0.5778 0.0851-0.0826 ( 524 PWs) bands (ev): -11.8897 -11.8897 -0.9581 -0.9581 2.5826 2.5826 3.1899 3.1899 15.8271 15.8271 16.9746 16.9746 17.3517 17.3517 18.1002 18.1002 k = 0.5739 0.0898-0.0728 ( 524 PWs) bands (ev): -11.9312 -11.9312 -1.0094 -1.0094 2.7099 2.7099 3.2735 3.2735 15.7954 15.7954 16.8685 16.8685 17.4726 17.4726 18.0632 18.0632 k = 0.5700 0.0945-0.0631 ( 524 PWs) bands (ev): -11.9706 -11.9706 -1.0581 -1.0581 2.8339 2.8339 3.3538 3.3538 15.7659 15.7659 16.7620 16.7620 17.5888 17.5888 18.0277 18.0277 k = 0.5661 0.0992-0.0533 ( 524 PWs) bands (ev): -12.0079 -12.0079 -1.1043 -1.1043 2.9544 2.9544 3.4305 3.4305 15.7384 15.7384 16.6557 16.6557 17.7001 17.7001 17.9938 17.9938 k = 0.5622 0.1039-0.0436 ( 526 PWs) bands (ev): -12.0431 -12.0431 -1.1478 -1.1478 3.0708 3.0708 3.5036 3.5036 15.7126 15.7126 16.5501 16.5501 17.8063 17.8063 17.9616 17.9616 k = 0.5583 0.1087-0.0338 ( 528 PWs) bands (ev): -12.0762 -12.0762 -1.1887 -1.1887 3.1831 3.1831 3.5729 3.5729 15.6891 15.6891 16.4462 16.4462 17.9072 17.9072 17.9311 17.9311 k = 0.5545 0.1134-0.0240 ( 530 PWs) bands (ev): -12.1071 -12.1071 -1.2271 -1.2271 3.2907 3.2907 3.6384 3.6384 15.6673 15.6673 16.3446 16.3446 17.9023 17.9023 18.0025 18.0025 k = 0.5506 0.1181-0.0143 ( 530 PWs) bands (ev): -12.1360 -12.1360 -1.2627 -1.2627 3.3933 3.3933 3.6999 3.6999 15.6475 15.6475 16.2461 16.2461 17.8753 17.8753 18.0923 18.0923 k = 0.5467 0.1228-0.0045 ( 528 PWs) bands (ev): -12.1626 -12.1626 -1.2958 -1.2958 3.4907 3.4907 3.7575 3.7575 15.6297 15.6297 16.1513 16.1513 17.8503 17.8503 18.1762 18.1762 k = 0.5428 0.1275 0.0052 ( 526 PWs) bands (ev): -12.1872 -12.1872 -1.3262 -1.3262 3.5820 3.5820 3.8107 3.8107 15.6135 15.6135 16.0610 16.0610 17.8272 17.8272 18.2540 18.2540 k = 0.5389 0.1323 0.0150 ( 528 PWs) bands (ev): -12.2096 -12.2096 -1.3540 -1.3540 3.6669 3.6669 3.8596 3.8596 15.5986 15.5986 15.9756 15.9756 17.8059 17.8059 18.3256 18.3256 k = 0.5350 0.1370 0.0247 ( 530 PWs) bands (ev): -12.2299 -12.2299 -1.3792 -1.3792 3.7453 3.7453 3.9042 3.9042 15.5854 15.5854 15.8962 15.8962 17.7865 17.7865 18.3907 18.3907 k = 0.5311 0.1417 0.0345 ( 530 PWs) bands (ev): -12.2481 -12.2481 -1.4017 -1.4017 3.8167 3.8167 3.9443 3.9443 15.5739 15.5739 15.8234 15.8234 17.7692 17.7692 18.4495 18.4495 k = 0.5272 0.1464 0.0442 ( 524 PWs) bands (ev): -12.2641 -12.2641 -1.4216 -1.4216 3.8808 3.8808 3.9800 3.9800 15.5640 15.5640 15.7578 15.7578 17.7539 17.7539 18.5017 18.5017 k = 0.5233 0.1511 0.0540 ( 524 PWs) bands (ev): -12.2780 -12.2780 -1.4388 -1.4388 3.9370 3.9370 4.0111 4.0111 15.5554 15.5554 15.6996 15.6996 17.7406 17.7406 18.5471 18.5471 k = 0.5194 0.1559 0.0638 ( 522 PWs) bands (ev): -12.2897 -12.2897 -1.4534 -1.4534 3.9853 3.9853 4.0375 4.0375 15.5482 15.5482 15.6495 15.6495 17.7292 17.7292 18.5858 18.5858 k = 0.5156 0.1606 0.0735 ( 524 PWs) bands (ev): -12.2993 -12.2993 -1.4653 -1.4653 4.0247 4.0247 4.0592 4.0592 15.5420 15.5420 15.6078 15.6078 17.7200 17.7200 18.6175 18.6175 k = 0.5117 0.1653 0.0833 ( 522 PWs) bands (ev): -12.3068 -12.3068 -1.4746 -1.4746 4.0556 4.0556 4.0765 4.0765 15.5375 15.5375 15.5752 15.5752 17.7128 17.7128 18.6422 18.6422 k = 0.5078 0.1700 0.0930 ( 522 PWs) bands (ev): -12.3122 -12.3122 -1.4812 -1.4812 4.0771 4.0771 4.0895 4.0895 15.5339 15.5339 15.5521 15.5521 17.7076 17.7076 18.6599 18.6599 k = 0.5039 0.1747 0.1028 ( 522 PWs) bands (ev): -12.3154 -12.3154 -1.4852 -1.4852 4.0890 4.0890 4.0984 4.0984 15.5305 15.5305 15.5393 15.5393 17.7045 17.7045 18.6705 18.6705 k = 0.5000 0.1795 0.1125 ( 522 PWs) bands (ev): -12.3164 -12.3164 -1.4865 -1.4865 4.0926 4.0926 4.1018 4.1018 15.5283 15.5283 15.5361 15.5361 17.7035 17.7035 18.6741 18.6741 k = 0.5000 0.1795 0.1125 ( 522 PWs) bands (ev): -12.3164 -12.3164 -1.4865 -1.4865 4.0926 4.0926 4.1018 4.1018 15.5283 15.5283 15.5361 15.5361 17.7035 17.7035 18.6741 18.6741 k = 0.4894 0.1757 0.1101 ( 522 PWs) bands (ev): -12.3168 -12.3168 -1.4847 -1.4847 4.0926 4.0926 4.1018 4.1018 15.5284 15.5284 15.5361 15.5361 17.6897 17.6897 18.6764 18.6764 k = 0.4787 0.1718 0.1077 ( 522 PWs) bands (ev): -12.3179 -12.3179 -1.4791 -1.4791 4.0927 4.0927 4.1018 4.1018 15.5285 15.5285 15.5363 15.5363 17.6490 17.6490 18.6829 18.6829 k = 0.4681 0.1680 0.1053 ( 522 PWs) bands (ev): -12.3197 -12.3197 -1.4698 -1.4698 4.0928 4.0928 4.1020 4.1020 15.5287 15.5287 15.5365 15.5365 17.5832 17.5832 18.6924 18.6924 k = 0.4574 0.1642 0.1030 ( 522 PWs) bands (ev): -12.3222 -12.3222 -1.4568 -1.4568 4.0929 4.0929 4.1021 4.1021 15.5290 15.5290 15.5368 15.5368 17.4950 17.4950 18.7035 18.7035 k = 0.4468 0.1604 0.1006 ( 522 PWs) bands (ev): -12.3255 -12.3255 -1.4402 -1.4402 4.0931 4.0931 4.1023 4.1023 15.5294 15.5294 15.5372 15.5372 17.3868 17.3868 18.7148 18.7148 k = 0.4362 0.1566 0.0982 ( 529 PWs) bands (ev): -12.3295 -12.3295 -1.4202 -1.4202 4.0933 4.0933 4.1025 4.1025 15.5296 15.5296 15.5374 15.5374 17.2611 17.2611 18.7255 18.7255 k = 0.4255 0.1527 0.0958 ( 529 PWs) bands (ev): -12.3340 -12.3340 -1.3964 -1.3964 4.0936 4.0936 4.1028 4.1028 15.5302 15.5302 15.5379 15.5379 17.1207 17.1207 18.7350 18.7350 k = 0.4149 0.1489 0.0934 ( 526 PWs) bands (ev): -12.3392 -12.3392 -1.3692 -1.3692 4.0940 4.0940 4.1032 4.1032 15.5308 15.5308 15.5386 15.5386 16.9674 16.9674 18.7434 18.7434 k = 0.4043 0.1451 0.0910 ( 520 PWs) bands (ev): -12.3450 -12.3450 -1.3385 -1.3385 4.0945 4.0945 4.1037 4.1037 15.5317 15.5317 15.5395 15.5395 16.8032 16.8032 18.7499 18.7499 k = 0.3936 0.1413 0.0886 ( 520 PWs) bands (ev): -12.3514 -12.3514 -1.3046 -1.3046 4.0949 4.0949 4.1041 4.1041 15.5325 15.5325 15.5402 15.5402 16.6296 16.6296 18.7545 18.7545 k = 0.3830 0.1375 0.0862 ( 532 PWs) bands (ev): -12.3584 -12.3584 -1.2675 -1.2675 4.0951 4.0951 4.1043 4.1043 15.5331 15.5331 15.5408 15.5408 16.4481 16.4481 18.7573 18.7573 k = 0.3723 0.1336 0.0838 ( 532 PWs) bands (ev): -12.3658 -12.3658 -1.2273 -1.2273 4.0955 4.0955 4.1047 4.1047 15.5340 15.5340 15.5417 15.5417 16.2604 16.2604 18.7589 18.7589 k = 0.3617 0.1298 0.0814 ( 532 PWs) bands (ev): -12.3737 -12.3737 -1.1841 -1.1841 4.0960 4.0960 4.1052 4.1052 15.5349 15.5349 15.5427 15.5427 16.0677 16.0677 18.7593 18.7593 k = 0.3511 0.1260 0.0790 ( 532 PWs) bands (ev): -12.3821 -12.3821 -1.1380 -1.1380 4.0966 4.0966 4.1058 4.1058 15.5359 15.5359 15.5437 15.5437 15.8709 15.8709 18.7585 18.7585 k = 0.3404 0.1222 0.0766 ( 532 PWs) bands (ev): -12.3908 -12.3908 -1.0892 -1.0892 4.0971 4.0971 4.1063 4.1063 15.5370 15.5370 15.5448 15.5448 15.6713 15.6713 18.7568 18.7568 k = 0.3298 0.1184 0.0742 ( 532 PWs) bands (ev): -12.3999 -12.3999 -1.0378 -1.0378 4.0977 4.0977 4.1069 4.1069 15.4694 15.4694 15.5383 15.5383 15.5460 15.5460 18.7542 18.7542 k = 0.3191 0.1146 0.0718 ( 532 PWs) bands (ev): -12.4092 -12.4092 -0.9840 -0.9840 4.0983 4.0983 4.1075 4.1075 15.2666 15.2666 15.5394 15.5394 15.5471 15.5471 18.7509 18.7509 k = 0.3085 0.1107 0.0694 ( 532 PWs) bands (ev): -12.4188 -12.4188 -0.9280 -0.9280 4.0990 4.0990 4.1081 4.1081 15.0633 15.0633 15.5406 15.5406 15.5483 15.5483 18.7471 18.7471 k = 0.2979 0.1069 0.0670 ( 532 PWs) bands (ev): -12.4287 -12.4287 -0.8699 -0.8699 4.0996 4.0996 4.1088 4.1088 14.8603 14.8603 15.5418 15.5418 15.5496 15.5496 18.7427 18.7427 k = 0.2872 0.1031 0.0646 ( 535 PWs) bands (ev): -12.4387 -12.4387 -0.8100 -0.8100 4.1002 4.1002 4.1094 4.1094 14.6582 14.6582 15.5430 15.5430 15.5508 15.5508 18.7376 18.7376 k = 0.2766 0.0993 0.0623 ( 532 PWs) bands (ev): -12.4488 -12.4488 -0.7484 -0.7484 4.1011 4.1011 4.1103 4.1103 14.4577 14.4577 15.5445 15.5445 15.5523 15.5523 18.7324 18.7324 k = 0.2660 0.0955 0.0599 ( 526 PWs) bands (ev): -12.4590 -12.4590 -0.6853 -0.6853 4.1020 4.1020 4.1112 4.1112 14.2593 14.2593 15.5459 15.5459 15.5536 15.5536 18.7272 18.7272 k = 0.2553 0.0916 0.0575 ( 526 PWs) bands (ev): -12.4692 -12.4692 -0.6211 -0.6211 4.1027 4.1027 4.1118 4.1118 14.0635 14.0635 15.5471 15.5471 15.5549 15.5549 18.7216 18.7216 k = 0.2447 0.0878 0.0551 ( 532 PWs) bands (ev): -12.4793 -12.4793 -0.5559 -0.5559 4.1031 4.1031 4.1123 4.1123 13.8708 13.8708 15.5484 15.5484 15.5561 15.5561 18.7151 18.7151 k = 0.2340 0.0840 0.0527 ( 532 PWs) bands (ev): -12.4894 -12.4894 -0.4899 -0.4899 4.1038 4.1038 4.1130 4.1130 13.6818 13.6818 15.5496 15.5496 15.5574 15.5574 18.7092 18.7092 k = 0.2234 0.0802 0.0503 ( 532 PWs) bands (ev): -12.4994 -12.4994 -0.4236 -0.4236 4.1044 4.1044 4.1136 4.1136 13.4969 13.4969 15.5509 15.5509 15.5587 15.5587 18.7034 18.7034 k = 0.2128 0.0764 0.0479 ( 532 PWs) bands (ev): -12.5093 -12.5093 -0.3571 -0.3571 4.1051 4.1051 4.1143 4.1143 13.3166 13.3166 15.5522 15.5522 15.5599 15.5600 18.6975 18.6975 k = 0.2021 0.0726 0.0455 ( 532 PWs) bands (ev): -12.5189 -12.5189 -0.2907 -0.2907 4.1057 4.1057 4.1149 4.1149 13.1413 13.1413 15.5534 15.5534 15.5612 15.5612 18.6917 18.6917 k = 0.1915 0.0687 0.0431 ( 532 PWs) bands (ev): -12.5283 -12.5283 -0.2248 -0.2248 4.1064 4.1064 4.1156 4.1156 12.9715 12.9715 15.5546 15.5546 15.5624 15.5624 18.6860 18.6860 k = 0.1809 0.0649 0.0407 ( 532 PWs) bands (ev): -12.5374 -12.5374 -0.1596 -0.1596 4.1070 4.1070 4.1162 4.1162 12.8076 12.8076 15.5558 15.5558 15.5636 15.5636 18.6804 18.6804 k = 0.1702 0.0611 0.0383 ( 532 PWs) bands (ev): -12.5463 -12.5463 -0.0956 -0.0956 4.1076 4.1076 4.1168 4.1168 12.6500 12.6500 15.5569 15.5569 15.5647 15.5647 18.6750 18.6750 k = 0.1596 0.0573 0.0359 ( 532 PWs) bands (ev): -12.5547 -12.5547 -0.0329 -0.0329 4.1082 4.1082 4.1174 4.1174 12.4991 12.4991 15.5580 15.5580 15.5658 15.5658 18.6698 18.6698 k = 0.1489 0.0535 0.0335 ( 526 PWs) bands (ev): -12.5627 -12.5627 0.0283 0.0283 4.1088 4.1088 4.1180 4.1180 12.3555 12.3555 15.5591 15.5591 15.5669 15.5669 18.6649 18.6649 k = 0.1383 0.0496 0.0311 ( 526 PWs) bands (ev): -12.5703 -12.5703 0.0871 0.0871 4.1093 4.1093 4.1185 4.1185 12.2194 12.2194 15.5601 15.5601 15.5679 15.5679 18.6601 18.6601 k = 0.1277 0.0458 0.0287 ( 526 PWs) bands (ev): -12.5775 -12.5775 0.1433 0.1433 4.1098 4.1098 4.1190 4.1190 12.0913 12.0913 15.5610 15.5610 15.5688 15.5688 18.6557 18.6557 k = 0.1170 0.0420 0.0263 ( 526 PWs) bands (ev): -12.5843 -12.5843 0.1967 0.1967 4.1103 4.1103 4.1195 4.1195 11.9717 11.9717 15.5619 15.5619 15.5697 15.5697 18.6515 18.6515 k = 0.1064 0.0382 0.0239 ( 526 PWs) bands (ev): -12.5905 -12.5905 0.2469 0.2469 4.1107 4.1107 4.1199 4.1199 11.8609 11.8609 15.5627 15.5627 15.5705 15.5705 18.6476 18.6476 k = 0.0957 0.0344 0.0215 ( 526 PWs) bands (ev): -12.5963 -12.5963 0.2936 0.2936 4.1111 4.1111 4.1203 4.1203 11.7593 11.7593 15.5634 15.5634 15.5712 15.5712 18.6441 18.6441 k = 0.0851 0.0305 0.0192 ( 526 PWs) bands (ev): -12.6015 -12.6015 0.3364 0.3364 4.1115 4.1115 4.1207 4.1207 11.6673 11.6673 15.5641 15.5641 15.5719 15.5719 18.6408 18.6408 k = 0.0745 0.0267 0.0168 ( 523 PWs) bands (ev): -12.6060 -12.6060 0.3751 0.3751 4.1118 4.1118 4.1210 4.1210 11.5851 11.5851 15.5647 15.5647 15.5725 15.5725 18.6382 18.6382 k = 0.0638 0.0229 0.0144 ( 523 PWs) bands (ev): -12.6101 -12.6101 0.4093 0.4093 4.1121 4.1121 4.1213 4.1213 11.5133 11.5133 15.5652 15.5652 15.5730 15.5730 18.6357 18.6357 k = 0.0532 0.0191 0.0120 ( 526 PWs) bands (ev): -12.6135 -12.6135 0.4386 0.4386 4.1121 4.1121 4.1213 4.1213 11.4519 11.4519 15.5654 15.5654 15.5732 15.5732 18.6335 18.6335 k = 0.0426 0.0153 0.0096 ( 526 PWs) bands (ev): -12.6164 -12.6164 0.4630 0.4630 4.1123 4.1123 4.1215 4.1215 11.4014 11.4014 15.5658 15.5658 15.5736 15.5736 18.6318 18.6318 k = 0.0319 0.0115 0.0072 ( 523 PWs) bands (ev): -12.6186 -12.6186 0.4822 0.4822 4.1126 4.1126 4.1218 4.1218 11.3618 11.3618 15.5661 15.5661 15.5739 15.5739 18.6308 18.6308 k = 0.0213 0.0076 0.0048 ( 523 PWs) bands (ev): -12.6202 -12.6202 0.4960 0.4960 4.1127 4.1127 4.1219 4.1219 11.3334 11.3334 15.5663 15.5663 15.5741 15.5741 18.6298 18.6298 k = 0.0106 0.0038 0.0024 ( 523 PWs) bands (ev): -12.6211 -12.6211 0.5044 0.5044 4.1127 4.1127 4.1219 4.1219 11.3164 11.3164 15.5664 15.5664 15.5742 15.5742 18.6292 18.6292 k = 0.0000 0.0000 0.0000 ( 523 PWs) bands (ev): -12.6214 -12.6214 0.5072 0.5072 4.1128 4.1128 4.1220 4.1220 11.3107 11.3107 15.5664 15.5664 15.5743 15.5743 18.6290 18.6290 k = 0.0000 0.0000 0.0000 ( 523 PWs) bands (ev): -12.6214 -12.6214 0.5072 0.5072 4.1128 4.1128 4.1220 4.1220 11.3107 11.3107 15.5664 15.5664 15.5743 15.5743 18.6290 18.6290 k = 0.0039-0.0047-0.0097 ( 523 PWs) bands (ev): -12.6204 -12.6204 0.5084 0.5084 4.1092 4.1092 4.1187 4.1187 11.3119 11.3119 15.5687 15.5687 15.5775 15.5775 18.6252 18.6252 k = 0.0077-0.0094-0.0194 ( 521 PWs) bands (ev): -12.6171 -12.6171 0.5121 0.5121 4.0978 4.0978 4.1100 4.1100 11.3157 11.3157 15.5728 15.5728 15.5901 15.5901 18.6137 18.6137 k = 0.0116-0.0141-0.0291 ( 521 PWs) bands (ev): -12.6117 -12.6117 0.5182 0.5182 4.0767 4.0767 4.0971 4.0971 11.3220 11.3220 15.5772 15.5772 15.6129 15.6129 18.5945 18.5945 k = 0.0155-0.0188-0.0388 ( 521 PWs) bands (ev): -12.6042 -12.6042 0.5268 0.5268 4.0466 4.0466 4.0801 4.0801 11.3309 11.3309 15.5828 15.5828 15.6451 15.6451 18.5677 18.5677 k = 0.0193-0.0235-0.0485 ( 521 PWs) bands (ev): -12.5945 -12.5945 0.5379 0.5379 4.0077 4.0077 4.0586 4.0586 11.3422 11.3422 15.5899 15.5899 15.6861 15.6861 18.5334 18.5334 k = 0.0232-0.0282-0.0582 ( 521 PWs) bands (ev): -12.5826 -12.5826 0.5514 0.5514 3.9606 3.9606 4.0325 4.0325 11.3561 11.3561 15.5985 15.5985 15.7356 15.7356 18.4917 18.4917 k = 0.0271-0.0329-0.0679 ( 521 PWs) bands (ev): -12.5686 -12.5686 0.5673 0.5673 3.9055 3.9055 4.0019 4.0019 11.3726 11.3726 15.6088 15.6088 15.7932 15.7932 18.4426 18.4426 k = 0.0310-0.0376-0.0776 ( 523 PWs) bands (ev): -12.5524 -12.5524 0.5857 0.5857 3.8425 3.8425 3.9667 3.9667 11.3915 11.3915 15.6205 15.6205 15.8583 15.8583 18.3864 18.3864 k = 0.0348-0.0423-0.0873 ( 525 PWs) bands (ev): -12.5341 -12.5341 0.6065 0.6065 3.7724 3.7724 3.9271 3.9271 11.4130 11.4130 15.6340 15.6340 15.9305 15.9305 18.3228 18.3228 k = 0.0387-0.0470-0.0970 ( 525 PWs) bands (ev): -12.5137 -12.5137 0.6298 0.6298 3.6955 3.6955 3.8832 3.8832 11.4370 11.4370 15.6491 15.6491 16.0092 16.0092 18.2527 18.2527 k = 0.0426-0.0517-0.1068 ( 525 PWs) bands (ev): -12.4910 -12.4910 0.6555 0.6555 3.6121 3.6121 3.8349 3.8349 11.4636 11.4636 15.6660 15.6660 16.0938 16.0938 18.1760 18.1760 k = 0.0464-0.0564-0.1165 ( 525 PWs) bands (ev): -12.4663 -12.4663 0.6836 0.6836 3.5225 3.5225 3.7824 3.7824 11.4926 11.4926 15.6845 15.6845 16.1837 16.1837 18.0930 18.0930 k = 0.0503-0.0611-0.1262 ( 523 PWs) bands (ev): -12.4394 -12.4394 0.7141 0.7141 3.4273 3.4273 3.7258 3.7258 11.5242 11.5242 15.7050 15.7050 16.2783 16.2783 18.0037 18.0037 k = 0.0542-0.0657-0.1359 ( 523 PWs) bands (ev): -12.4103 -12.4103 0.7470 0.7470 3.3266 3.3266 3.6652 3.6652 11.5583 11.5583 15.7270 15.7270 16.3768 16.3768 17.9086 17.9086 k = 0.0580-0.0704-0.1456 ( 523 PWs) bands (ev): -12.3791 -12.3791 0.7823 0.7823 3.2210 3.2210 3.6006 3.6006 11.5949 11.5949 15.7505 15.7505 16.4785 16.4785 17.8079 17.8079 k = 0.0619-0.0751-0.1553 ( 523 PWs) bands (ev): -12.3458 -12.3458 0.8200 0.8200 3.1108 3.1108 3.5322 3.5322 11.6339 11.6339 15.7760 15.7760 16.5830 16.5830 17.7018 17.7018 k = 0.0658-0.0798-0.1650 ( 523 PWs) bands (ev): -12.3103 -12.3103 0.8600 0.8600 2.9963 2.9963 3.4602 3.4602 11.6755 11.6755 15.8028 15.8028 16.6892 16.6892 17.5909 17.5909 k = 0.0697-0.0845-0.1747 ( 523 PWs) bands (ev): -12.2727 -12.2727 0.9024 0.9024 2.8781 2.8781 3.3845 3.3845 11.7195 11.7195 15.8309 15.8309 16.7968 16.7968 17.4755 17.4755 k = 0.0735-0.0892-0.1844 ( 523 PWs) bands (ev): -12.2329 -12.2329 0.9471 0.9471 2.7563 2.7563 3.3054 3.3054 11.7660 11.7660 15.8604 15.8604 16.9049 16.9049 17.3561 17.3561 k = 0.0774-0.0939-0.1941 ( 521 PWs) bands (ev): -12.1911 -12.1911 0.9941 0.9941 2.6316 2.6316 3.2230 3.2230 11.8149 11.8149 15.8907 15.8907 17.0131 17.0131 17.2334 17.2334 k = 0.0813-0.0986-0.2038 ( 523 PWs) bands (ev): -12.1471 -12.1471 1.0433 1.0433 2.5039 2.5039 3.1373 3.1373 11.8662 11.8662 15.9213 15.9213 17.1081 17.1081 17.1208 17.1208 k = 0.0851-0.1033-0.2135 ( 523 PWs) bands (ev): -12.1010 -12.1010 1.0947 1.0947 2.3739 2.3739 3.0486 3.0486 11.9199 11.9199 15.9514 15.9514 16.9818 16.9818 17.2272 17.2272 k = 0.0890-0.1080-0.2232 ( 523 PWs) bands (ev): -12.0527 -12.0527 1.1481 1.1481 2.2418 2.2418 2.9570 2.9570 11.9759 11.9759 15.9792 15.9792 16.8562 16.8562 17.3323 17.3323 k = 0.0929-0.1127-0.2329 ( 523 PWs) bands (ev): -12.0024 -12.0024 1.2034 1.2034 2.1081 2.1081 2.8627 2.8627 12.0341 12.0341 16.0016 16.0016 16.7349 16.7349 17.4355 17.4355 k = 0.0967-0.1174-0.2426 ( 521 PWs) bands (ev): -11.9499 -11.9499 1.2601 1.2601 1.9735 1.9735 2.7656 2.7656 12.0946 12.0946 16.0128 16.0128 16.6242 16.6242 17.5364 17.5364 k = 0.1006-0.1221-0.2523 ( 519 PWs) bands (ev): -11.8953 -11.8953 1.3173 1.3173 1.8391 1.8391 2.6662 2.6662 12.1572 12.1572 16.0017 16.0017 16.5353 16.5353 17.6350 17.6350 k = 0.1045-0.1268-0.2620 ( 519 PWs) bands (ev): -11.8386 -11.8386 1.3716 1.3716 1.7086 1.7086 2.5643 2.5643 12.2218 12.2218 15.9558 15.9558 16.4809 16.4809 17.7309 17.7309 k = 0.1084-0.1315-0.2717 ( 517 PWs) bands (ev): -11.7799 -11.7799 1.4063 1.4063 1.5988 1.5988 2.4601 2.4601 12.2883 12.2883 15.8715 15.8715 16.4653 16.4653 17.8241 17.8241 k = 0.1122-0.1362-0.2814 ( 517 PWs) bands (ev): -11.7190 -11.7190 1.3571 1.3571 1.5741 1.5741 2.3539 2.3539 12.3565 12.3565 15.7579 15.7579 16.4795 16.4795 17.9144 17.9144 k = 0.1161-0.1409-0.2911 ( 517 PWs) bands (ev): -11.6561 -11.6561 1.2374 1.2374 1.6213 1.6213 2.2457 2.2457 12.4262 12.4262 15.6268 15.6268 16.5124 16.5124 18.0020 18.0020 k = 0.1200-0.1456-0.3009 ( 517 PWs) bands (ev): -11.5911 -11.5911 1.1017 1.1017 1.6862 1.6862 2.1356 2.1356 12.4971 12.4971 15.4857 15.4857 16.5569 16.5569 18.0868 18.0868 k = 0.1238-0.1503-0.3106 ( 519 PWs) bands (ev): -11.5240 -11.5240 0.9613 0.9613 1.7573 1.7573 2.0238 2.0238 12.5689 12.5689 15.3391 15.3391 16.6091 16.6091 18.1689 18.1689 k = 0.1277-0.1550-0.3203 ( 517 PWs) bands (ev): -11.4548 -11.4548 0.8193 0.8193 1.8321 1.8321 1.9105 1.9105 12.6409 12.6409 15.1899 15.1899 16.6670 16.6670 18.2485 18.2485 k = 0.1316-0.1597-0.3300 ( 517 PWs) bands (ev): -11.3836 -11.3836 0.6763 0.6763 1.7957 1.7957 1.9097 1.9097 12.7125 12.7125 15.0401 15.0401 16.7293 16.7293 18.3257 18.3257 k = 0.1354-0.1644-0.3397 ( 517 PWs) bands (ev): -11.3103 -11.3103 0.5329 0.5329 1.6796 1.6796 1.9899 1.9899 12.7826 12.7826 14.8916 14.8916 16.7955 16.7955 18.4006 18.4006 k = 0.1393-0.1691-0.3494 ( 519 PWs) bands (ev): -11.2350 -11.2350 0.3893 0.3893 1.5624 1.5624 2.0722 2.0722 12.8496 12.8496 14.7466 14.7466 16.8650 16.8650 18.4734 18.4734 k = 0.1432-0.1738-0.3591 ( 515 PWs) bands (ev): -11.1575 -11.1575 0.2457 0.2457 1.4442 1.4442 2.1571 2.1571 12.9113 12.9113 14.6078 14.6078 16.9379 16.9379 18.5448 18.5448 k = 0.1471-0.1785-0.3688 ( 517 PWs) bands (ev): -11.0781 -11.0781 0.1023 0.1023 1.3249 1.3249 2.2439 2.2439 12.9641 12.9641 14.4790 14.4790 17.0134 17.0134 18.6138 18.6138 k = 0.1509-0.1832-0.3785 ( 517 PWs) bands (ev): -10.9967 -10.9967 -0.0408 -0.0408 1.2048 1.2048 2.3327 2.3327 13.0033 13.0033 14.3654 14.3654 17.0917 17.0917 18.6813 18.6813 k = 0.1548-0.1878-0.3882 ( 515 PWs) bands (ev): -10.9132 -10.9132 -0.1834 -0.1834 1.0840 1.0840 2.4237 2.4237 13.0225 13.0225 14.2737 14.2737 17.1728 17.1728 18.7472 18.7472 k = 0.1587-0.1925-0.3979 ( 517 PWs) bands (ev): -10.8278 -10.8278 -0.3256 -0.3256 0.9624 0.9624 2.5165 2.5165 13.0145 13.0145 14.2108 14.2108 17.2564 17.2564 18.8118 18.8118 k = 0.1625-0.1972-0.4076 ( 517 PWs) bands (ev): -10.7404 -10.7404 -0.4672 -0.4672 0.8405 0.8405 2.6113 2.6113 12.9747 12.9747 14.1820 14.1820 17.3425 17.3425 18.8751 18.8751 k = 0.1664-0.2019-0.4173 ( 517 PWs) bands (ev): -10.6510 -10.6510 -0.6081 -0.6081 0.7181 0.7181 2.7080 2.7080 12.9029 12.9029 14.1873 14.1873 17.4311 17.4311 18.9374 18.9374 k = 0.1703-0.2066-0.4270 ( 519 PWs) bands (ev): -10.5596 -10.5596 -0.7482 -0.7482 0.5954 0.5954 2.8063 2.8063 12.8038 12.8038 14.2221 14.2221 17.5221 17.5221 18.9985 18.9985 k = 0.1741-0.2113-0.4367 ( 519 PWs) bands (ev): -10.4663 -10.4663 -0.8874 -0.8874 0.4726 0.4726 2.9066 2.9066 12.6841 12.6841 14.2803 14.2803 17.6154 17.6154 19.0586 19.0586 k = 0.1780-0.2160-0.4464 ( 515 PWs) bands (ev): -10.3709 -10.3709 -1.0258 -1.0258 0.3496 0.3496 3.0086 3.0086 12.5497 12.5497 14.3557 14.3557 17.7110 17.7110 19.1181 19.1181 k = 0.1819-0.2207-0.4561 ( 515 PWs) bands (ev): -10.2737 -10.2737 -1.1632 -1.1632 0.2266 0.2266 3.1123 3.1123 12.4052 12.4052 14.4441 14.4441 17.8089 17.8089 19.1763 19.1763 k = 0.1858-0.2254-0.4658 ( 517 PWs) bands (ev): -10.1746 -10.1746 -1.2997 -1.2997 0.1036 0.1036 3.2175 3.2175 12.2537 12.2537 14.5421 14.5421 17.9090 17.9090 19.2334 19.2334 k = 0.1896-0.2301-0.4755 ( 517 PWs) bands (ev): -10.0736 -10.0736 -1.4350 -1.4350 -0.0191 -0.0191 3.3243 3.3243 12.0975 12.0975 14.6478 14.6478 18.0113 18.0113 19.2895 19.2895 k = 0.1935-0.2348-0.4852 ( 517 PWs) bands (ev): -9.9707 -9.9707 -1.5693 -1.5693 -0.1416 -0.1416 3.4326 3.4326 11.9382 11.9382 14.7596 14.7596 18.1157 18.1157 19.3444 19.3444 k = 0.1974-0.2395-0.4950 ( 517 PWs) bands (ev): -9.8659 -9.8659 -1.7024 -1.7024 -0.2638 -0.2638 3.5425 3.5425 11.7768 11.7768 14.8766 14.8766 18.2222 18.2222 19.3978 19.3978 k = 0.2012-0.2442-0.5047 ( 517 PWs) bands (ev): -9.7593 -9.7593 -1.8343 -1.8343 -0.3855 -0.3855 3.6536 3.6536 11.6140 11.6140 14.9980 14.9980 18.3307 18.3307 19.4494 19.4494 k = 0.2051-0.2489-0.5144 ( 521 PWs) bands (ev): -9.6509 -9.6509 -1.9651 -1.9651 -0.5068 -0.5068 3.7660 3.7660 11.4504 11.4504 15.1233 15.1233 18.4412 18.4412 19.4986 19.4986 k = 0.2090-0.2536-0.5241 ( 521 PWs) bands (ev): -9.5407 -9.5407 -2.0944 -2.0944 -0.6274 -0.6274 3.8797 3.8797 11.2866 11.2866 15.2521 15.2521 18.5537 18.5537 19.5447 19.5447 k = 0.2128-0.2583-0.5338 ( 519 PWs) bands (ev): -9.4287 -9.4287 -2.2225 -2.2225 -0.7473 -0.7473 3.9946 3.9946 11.1229 11.1229 15.3840 15.3840 18.6679 18.6679 19.5865 19.5865 k = 0.2167-0.2630-0.5435 ( 519 PWs) bands (ev): -9.3150 -9.3150 -2.3493 -2.3493 -0.8665 -0.8665 4.1105 4.1105 10.9596 10.9596 15.5188 15.5188 18.7840 18.7840 19.6223 19.6223 k = 0.2206-0.2677-0.5532 ( 519 PWs) bands (ev): -9.1995 -9.1995 -2.4746 -2.4746 -0.9849 -0.9849 4.2274 4.2274 10.7968 10.7968 15.6564 15.6564 18.9018 18.9018 19.6494 19.6494 k = 0.2245-0.2724-0.5629 ( 519 PWs) bands (ev): -9.0824 -9.0824 -2.5987 -2.5987 -1.1024 -1.1024 4.3452 4.3452 10.6347 10.6347 15.7964 15.7964 19.0213 19.0213 19.6644 19.6644 k = 0.2283-0.2771-0.5726 ( 517 PWs) bands (ev): -8.9636 -8.9636 -2.7212 -2.7212 -1.2190 -1.2190 4.4639 4.4639 10.4736 10.4736 15.9388 15.9388 19.1423 19.1423 19.6628 19.6628 k = 0.2322-0.2818-0.5823 ( 517 PWs) bands (ev): -8.8432 -8.8432 -2.8424 -2.8424 -1.3344 -1.3344 4.5832 4.5832 10.3135 10.3135 16.0834 16.0834 19.2648 19.2648 19.6404 19.6404 k = 0.2361-0.2865-0.5920 ( 519 PWs) bands (ev): -8.7212 -8.7212 -2.9621 -2.9621 -1.4488 -1.4488 4.7031 4.7031 10.1545 10.1545 16.2299 16.2299 19.3887 19.3887 19.5947 19.5947 k = 0.2399-0.2912-0.6017 ( 519 PWs) bands (ev): -8.5977 -8.5977 -3.0803 -3.0803 -1.5620 -1.5620 4.8235 4.8235 9.9968 9.9968 16.3784 16.3784 19.5137 19.5137 19.5275 19.5275 k = 0.2438-0.2959-0.6114 ( 515 PWs) bands (ev): -8.4728 -8.4728 -3.1970 -3.1970 -1.6738 -1.6738 4.9443 4.9443 9.8405 9.8405 16.5285 16.5285 19.4425 19.4425 19.6405 19.6405 k = 0.2477-0.3006-0.6211 ( 515 PWs) bands (ev): -8.3464 -8.3464 -3.3122 -3.3122 -1.7843 -1.7843 5.0653 5.0653 9.6857 9.6857 16.6802 16.6802 19.3457 19.3457 19.7679 19.7679 k = 0.2515-0.3053-0.6308 ( 513 PWs) bands (ev): -8.2185 -8.2185 -3.4258 -3.4258 -1.8933 -1.8933 5.1865 5.1865 9.5323 9.5323 16.8332 16.8332 19.2416 19.2416 19.8964 19.8964 k = 0.2554-0.3100-0.6405 ( 513 PWs) bands (ev): -8.0895 -8.0895 -3.5379 -3.5379 -2.0008 -2.0008 5.3077 5.3077 9.3806 9.3806 16.9874 16.9874 19.1339 19.1339 20.0255 20.0255 k = 0.2593-0.3146-0.6502 ( 513 PWs) bands (ev): -7.9593 -7.9593 -3.6483 -3.6483 -2.1067 -2.1067 5.4287 5.4287 9.2305 9.2305 17.1426 17.1426 19.0250 19.0250 20.1554 20.1554 k = 0.2632-0.3193-0.6599 ( 511 PWs) bands (ev): -7.8279 -7.8279 -3.7572 -3.7572 -2.2107 -2.2107 5.5494 5.5494 9.0822 9.0822 17.2985 17.2985 18.9168 18.9168 20.2859 20.2859 k = 0.2670-0.3240-0.6696 ( 511 PWs) bands (ev): -7.6955 -7.6955 -3.8645 -3.8645 -2.3130 -2.3130 5.6696 5.6696 8.9355 8.9355 17.4548 17.4548 18.8105 18.8105 20.4166 20.4166 k = 0.2709-0.3287-0.6793 ( 509 PWs) bands (ev): -7.5622 -7.5622 -3.9702 -3.9702 -2.4132 -2.4132 5.7893 5.7893 8.7907 8.7907 17.6113 17.6113 18.7071 18.7071 20.5476 20.5476 k = 0.2748-0.3334-0.6891 ( 509 PWs) bands (ev): -7.4281 -7.4281 -4.0743 -4.0743 -2.5114 -2.5114 5.9082 5.9082 8.6478 8.6478 17.7675 17.7675 18.6071 18.6071 20.6783 20.6783 k = 0.2786-0.3381-0.6988 ( 511 PWs) bands (ev): -7.2934 -7.2934 -4.1768 -4.1768 -2.6074 -2.6074 6.0261 6.0261 8.5068 8.5068 17.9232 17.9232 18.5112 18.5112 20.8087 20.8087 k = 0.2825-0.3428-0.7085 ( 509 PWs) bands (ev): -7.1583 -7.1583 -4.2775 -4.2775 -2.7008 -2.7008 6.1429 6.1429 8.3677 8.3677 18.0779 18.0779 18.4199 18.4199 20.9387 20.9387 k = 0.2864-0.3475-0.7182 ( 513 PWs) bands (ev): -7.0229 -7.0229 -4.3766 -4.3766 -2.7916 -2.7916 6.2583 6.2583 8.2306 8.2306 18.2309 18.2309 18.3332 18.3332 21.0678 21.0678 k = 0.2902-0.3522-0.7279 ( 511 PWs) bands (ev): -6.8876 -6.8876 -4.4740 -4.4740 -2.8794 -2.8794 6.3723 6.3723 8.0956 8.0956 18.2519 18.2519 18.3819 18.3819 21.1956 21.1956 k = 0.2941-0.3569-0.7376 ( 511 PWs) bands (ev): -6.7526 -6.7526 -4.5698 -4.5698 -2.9641 -2.9641 6.4847 6.4847 7.9626 7.9626 18.1759 18.1759 18.5300 18.5300 21.2863 21.2863 k = 0.2980-0.3616-0.7473 ( 513 PWs) bands (ev): -6.6182 -6.6182 -4.6639 -4.6639 -3.0453 -3.0453 6.5952 6.5952 7.8316 7.8316 18.1055 18.1055 18.6744 18.6744 21.3611 21.3611 k = 0.3019-0.3663-0.7570 ( 515 PWs) bands (ev): -6.4850 -6.4850 -4.7562 -4.7562 -3.1225 -3.1225 6.7037 6.7037 7.7029 7.7029 18.0410 18.0410 18.8142 18.8142 21.4372 21.4372 k = 0.3057-0.3710-0.7667 ( 515 PWs) bands (ev): -6.3534 -6.3534 -4.8469 -4.8469 -3.1951 -3.1951 6.8100 6.8100 7.5762 7.5762 17.9825 17.9825 18.9484 18.9484 21.5147 21.5147 k = 0.3096-0.3757-0.7764 ( 513 PWs) bands (ev): -6.2241 -6.2241 -4.9358 -4.9358 -3.2626 -3.2626 6.9138 6.9138 7.4518 7.4518 17.9303 17.9303 19.0759 19.0759 21.5937 21.5937 k = 0.3135-0.3804-0.7861 ( 513 PWs) bands (ev): -6.0979 -6.0979 -5.0230 -5.0230 -3.3243 -3.3243 7.0150 7.0150 7.3295 7.3295 17.8844 17.8844 19.1952 19.1952 21.6737 21.6737 k = 0.3173-0.3851-0.7958 ( 513 PWs) bands (ev): -5.9756 -5.9756 -5.1085 -5.1085 -3.3793 -3.3793 7.1135 7.1135 7.2095 7.2095 17.8450 17.8450 19.3049 19.3049 21.7549 21.7549 k = 0.3212-0.3898-0.8055 ( 513 PWs) bands (ev): -5.8586 -5.8586 -5.1923 -5.1923 -3.4262 -3.4262 7.0917 7.0917 7.2090 7.2090 17.8121 17.8121 19.4032 19.4032 21.8374 21.8374 k = 0.3251-0.3945-0.8152 ( 513 PWs) bands (ev): -5.7482 -5.7482 -5.2743 -5.2743 -3.4640 -3.4640 6.9762 6.9762 7.3014 7.3014 17.7860 17.7860 19.4886 19.4886 21.9212 21.9212 k = 0.3289-0.3992-0.8249 ( 513 PWs) bands (ev): -5.6459 -5.6459 -5.3546 -5.3546 -3.4910 -3.4910 6.8629 6.8629 7.3905 7.3905 17.7667 17.7667 19.5591 19.5591 22.0063 22.0063 k = 0.3328-0.4039-0.8346 ( 517 PWs) bands (ev): -5.5535 -5.5535 -5.4331 -5.4331 -3.5057 -3.5057 6.7520 6.7520 7.4761 7.4761 17.7541 17.7541 19.6125 19.6125 22.0927 22.0927 k = 0.3367-0.4086-0.8443 ( 515 PWs) bands (ev): -5.5099 -5.5099 -5.4724 -5.4724 -3.5061 -3.5061 6.6434 6.6434 7.5583 7.5583 17.7483 17.7483 19.6482 19.6482 22.1803 22.1803 k = 0.3406-0.4133-0.8540 ( 521 PWs) bands (ev): -5.5850 -5.5850 -5.4046 -5.4046 -3.4912 -3.4912 6.5371 6.5371 7.6367 7.6367 17.7494 17.7494 19.6644 19.6644 22.2691 22.2691 k = 0.3444-0.4180-0.8637 ( 523 PWs) bands (ev): -5.6584 -5.6584 -5.3509 -5.3509 -3.4597 -3.4597 6.4331 6.4331 7.7114 7.7114 17.7572 17.7572 19.6599 19.6599 22.3592 22.3592 k = 0.3483-0.4227-0.8734 ( 525 PWs) bands (ev): -5.7299 -5.7299 -5.3117 -5.3117 -3.4114 -3.4114 6.3315 6.3315 7.7824 7.7824 17.7718 17.7718 19.6343 19.6343 22.4508 22.4508 k = 0.6517-0.2432-0.7609 ( 525 PWs) bands (ev): -5.7299 -5.7299 -5.3117 -5.3117 -3.4114 -3.4114 6.3315 6.3315 7.7824 7.7824 17.7718 17.7718 19.6343 19.6343 22.4508 22.4508 k = 0.6478-0.2324-0.7609 ( 525 PWs) bands (ev): -5.7999 -5.7999 -5.2863 -5.2863 -3.3464 -3.3464 6.2319 6.2319 7.8499 7.8499 17.7931 17.7931 19.5873 19.5873 22.5443 22.5443 k = 0.6439-0.2215-0.7609 ( 525 PWs) bands (ev): -5.8682 -5.8682 -5.2741 -5.2741 -3.2662 -3.2662 6.1347 6.1347 7.9135 7.9135 17.8209 17.8209 19.5195 19.5195 22.6392 22.6392 k = 0.6400-0.2107-0.7609 ( 523 PWs) bands (ev): -5.9347 -5.9347 -5.2733 -5.2733 -3.1724 -3.1724 6.0400 6.0400 7.9733 7.9733 17.8552 17.8552 19.4319 19.4319 22.7359 22.7359 k = 0.6361-0.1998-0.7609 ( 523 PWs) bands (ev): -5.9994 -5.9994 -5.2822 -5.2822 -3.0670 -3.0670 5.9477 5.9477 8.0291 8.0291 17.8956 17.8956 19.3258 19.3258 22.8337 22.8337 k = 0.6323-0.1890-0.7609 ( 524 PWs) bands (ev): -6.0624 -6.0624 -5.2990 -5.2990 -2.9518 -2.9518 5.8579 5.8579 8.0811 8.0811 17.9419 17.9419 19.2029 19.2029 22.9330 22.9330 k = 0.6284-0.1782-0.7609 ( 522 PWs) bands (ev): -6.1235 -6.1235 -5.3220 -5.3220 -2.8287 -2.8287 5.7706 5.7706 8.1293 8.1293 17.9940 17.9940 19.0651 19.0651 23.0100 23.0100 k = 0.6245-0.1673-0.7609 ( 524 PWs) bands (ev): -6.1828 -6.1828 -5.3498 -5.3498 -2.6993 -2.6993 5.6858 5.6858 8.1738 8.1738 18.0513 18.0513 18.9143 18.9143 23.0201 23.0201 k = 0.6206-0.1565-0.7609 ( 524 PWs) bands (ev): -6.2403 -6.2403 -5.3812 -5.3812 -2.5648 -2.5648 5.6035 5.6035 8.2148 8.2148 18.1137 18.1137 18.7524 18.7524 23.0236 23.0236 k = 0.6167-0.1457-0.7609 ( 524 PWs) bands (ev): -6.2961 -6.2961 -5.4153 -5.4153 -2.4264 -2.4264 5.5237 5.5237 8.2522 8.2522 18.1808 18.1808 18.5811 18.5811 23.0213 23.0213 k = 0.6128-0.1348-0.7609 ( 524 PWs) bands (ev): -6.3499 -6.3499 -5.4512 -5.4512 -2.2850 -2.2850 5.4464 5.4464 8.2863 8.2863 18.2521 18.2521 18.4023 18.4023 23.0142 23.0142 k = 0.6089-0.1240-0.7609 ( 526 PWs) bands (ev): -6.4020 -6.4020 -5.4882 -5.4882 -2.1415 -2.1415 5.3717 5.3717 8.3173 8.3173 18.2173 18.2173 18.3274 18.3274 23.0031 23.0031 k = 0.6050-0.1131-0.7609 ( 526 PWs) bands (ev): -6.4523 -6.4523 -5.5259 -5.5259 -1.9966 -1.9966 5.2996 5.2996 8.3451 8.3451 18.0279 18.0279 18.4059 18.4059 22.9886 22.9886 k = 0.6011-0.1023-0.7609 ( 526 PWs) bands (ev): -6.5007 -6.5007 -5.5639 -5.5639 -1.8509 -1.8509 5.2299 5.2299 8.3701 8.3701 17.8352 17.8352 18.4875 18.4875 22.9714 22.9714 k = 0.5972-0.0915-0.7609 ( 526 PWs) bands (ev): -6.5473 -6.5473 -5.6017 -5.6017 -1.7050 -1.7050 5.1629 5.1629 8.3924 8.3924 17.6406 17.6406 18.5715 18.5715 22.9521 22.9521 k = 0.5934-0.0806-0.7609 ( 522 PWs) bands (ev): -6.5921 -6.5921 -5.6392 -5.6392 -1.5591 -1.5591 5.0984 5.0984 8.4123 8.4123 17.4450 17.4450 18.6576 18.6576 22.9311 22.9311 k = 0.5895-0.0698-0.7609 ( 522 PWs) bands (ev): -6.6351 -6.6351 -5.6761 -5.6761 -1.4143 -1.4143 5.0365 5.0365 8.4297 8.4297 17.2495 17.2495 18.7451 18.7451 22.9089 22.9089 k = 0.5856-0.0590-0.7609 ( 524 PWs) bands (ev): -6.6763 -6.6763 -5.7121 -5.7121 -1.2708 -1.2708 4.9771 4.9771 8.4449 8.4449 17.0551 17.0551 18.8335 18.8335 22.8858 22.8858 k = 0.5817-0.0481-0.7609 ( 524 PWs) bands (ev): -6.7156 -6.7156 -5.7473 -5.7473 -1.1290 -1.1290 4.9204 4.9204 8.4581 8.4581 16.8627 16.8627 18.9223 18.9223 22.8622 22.8622 k = 0.5778-0.0373-0.7609 ( 524 PWs) bands (ev): -6.7531 -6.7531 -5.7813 -5.7813 -0.9894 -0.9894 4.8662 4.8662 8.4695 8.4695 16.6729 16.6729 19.0110 19.0110 22.8383 22.8383 k = 0.5739-0.0264-0.7609 ( 526 PWs) bands (ev): -6.7888 -6.7888 -5.8141 -5.8141 -0.8526 -0.8526 4.8147 4.8147 8.4792 8.4792 16.4861 16.4861 19.0992 19.0992 22.8145 22.8145 k = 0.5700-0.0156-0.7609 ( 526 PWs) bands (ev): -6.8227 -6.8227 -5.8456 -5.8456 -0.7187 -0.7187 4.7658 4.7658 8.4874 8.4874 16.3041 16.3041 19.1862 19.1862 22.7909 22.7909 k = 0.5661-0.0048-0.7609 ( 526 PWs) bands (ev): -6.8547 -6.8547 -5.8757 -5.8757 -0.5882 -0.5882 4.7196 4.7196 8.4942 8.4942 16.1271 16.1271 19.2717 19.2717 22.7677 22.7678 k = 0.5622 0.0061-0.7609 ( 530 PWs) bands (ev): -6.8850 -6.8850 -5.9044 -5.9044 -0.4618 -0.4618 4.6758 4.6758 8.4998 8.4998 15.9557 15.9557 19.3550 19.3550 22.7452 22.7452 k = 0.5583 0.0169-0.7609 ( 530 PWs) bands (ev): -6.9134 -6.9134 -5.9316 -5.9316 -0.3398 -0.3398 4.6347 4.6347 8.5044 8.5044 15.7907 15.7907 19.4357 19.4357 22.7234 22.7234 k = 0.5545 0.0277-0.7609 ( 530 PWs) bands (ev): -6.9400 -6.9400 -5.9572 -5.9572 -0.2227 -0.2227 4.5963 4.5963 8.5081 8.5081 15.6327 15.6327 19.5134 19.5134 22.7024 22.7024 k = 0.5506 0.0386-0.7609 ( 528 PWs) bands (ev): -6.9647 -6.9647 -5.9811 -5.9811 -0.1109 -0.1109 4.5605 4.5605 8.5109 8.5109 15.4823 15.4823 19.5877 19.5877 22.6826 22.6826 k = 0.5467 0.0494-0.7609 ( 528 PWs) bands (ev): -6.9876 -6.9876 -6.0034 -6.0034 -0.0049 -0.0049 4.5274 4.5274 8.5131 8.5131 15.3400 15.3400 19.6581 19.6581 22.6638 22.6638 k = 0.5428 0.0603-0.7609 ( 528 PWs) bands (ev): -7.0087 -7.0087 -6.0240 -6.0240 0.0948 0.0948 4.4969 4.4969 8.5147 8.5147 15.2066 15.2066 19.7243 19.7243 22.6462 22.6462 k = 0.5389 0.0711-0.7609 ( 528 PWs) bands (ev): -7.0279 -7.0279 -6.0430 -6.0430 0.1877 0.1877 4.4690 4.4690 8.5158 8.5158 15.0825 15.0825 19.7859 19.7859 22.6299 22.6299 k = 0.5350 0.0819-0.7609 ( 528 PWs) bands (ev): -7.0453 -7.0453 -6.0601 -6.0601 0.2735 0.2735 4.4438 4.4438 8.5166 8.5166 14.9683 14.9683 19.8426 19.8426 22.6149 22.6149 k = 0.5311 0.0928-0.7609 ( 528 PWs) bands (ev): -7.0609 -7.0609 -6.0756 -6.0756 0.3516 0.3516 4.4212 4.4212 8.5170 8.5170 14.8645 14.8645 19.8940 19.8940 22.6014 22.6014 k = 0.5272 0.1036-0.7609 ( 528 PWs) bands (ev): -7.0746 -7.0746 -6.0892 -6.0892 0.4216 0.4216 4.4013 4.4013 8.5173 8.5173 14.7717 14.7717 19.9401 19.9401 22.5893 22.5893 k = 0.5233 0.1144-0.7609 ( 530 PWs) bands (ev): -7.0865 -7.0865 -6.1011 -6.1011 0.4832 0.4832 4.3839 4.3839 8.5173 8.5173 14.6902 14.6902 19.9804 19.9804 22.5787 22.5787 k = 0.5194 0.1253-0.7609 ( 530 PWs) bands (ev): -7.0966 -7.0966 -6.1111 -6.1111 0.5359 0.5359 4.3693 4.3693 8.5173 8.5173 14.6206 14.6206 20.0149 20.0149 22.5697 22.5697 k = 0.5156 0.1361-0.7609 ( 530 PWs) bands (ev): -7.1049 -7.1049 -6.1194 -6.1194 0.5795 0.5795 4.3573 4.3573 8.5172 8.5172 14.5631 14.5631 20.0433 20.0433 22.5624 22.5624 k = 0.5117 0.1470-0.7609 ( 530 PWs) bands (ev): -7.1113 -7.1113 -6.1258 -6.1258 0.6138 0.6138 4.3480 4.3480 8.5171 8.5171 14.5180 14.5180 20.0655 20.0655 22.5566 22.5566 k = 0.5078 0.1578-0.7609 ( 528 PWs) bands (ev): -7.1159 -7.1159 -6.1304 -6.1304 0.6384 0.6384 4.3414 4.3414 8.5170 8.5170 14.4856 14.4856 20.0815 20.0815 22.5524 22.5524 k = 0.5039 0.1686-0.7609 ( 524 PWs) bands (ev): -7.1186 -7.1186 -6.1331 -6.1331 0.6534 0.6534 4.3374 4.3374 8.5171 8.5171 14.4662 14.4662 20.0913 20.0913 22.5500 22.5500 k = 0.5000 0.1795-0.7609 ( 526 PWs) bands (ev): -7.1195 -7.1195 -6.1340 -6.1340 0.6583 0.6583 4.3361 4.3361 8.5170 8.5170 14.4596 14.4596 20.0945 20.0945 22.5491 22.5491 k = 0.5000 0.1795-0.7609 ( 526 PWs) bands (ev): -7.1195 -7.1195 -6.1340 -6.1340 0.6583 0.6583 4.3361 4.3361 8.5170 8.5170 14.4596 14.4596 20.0945 20.0945 22.5491 22.5491 k = 0.5089 0.1827-0.7543 ( 530 PWs) bands (ev): -7.1223 -7.1223 -6.1312 -6.1312 0.6585 0.6585 4.3339 4.3339 8.5205 8.5205 14.4601 14.4601 20.0934 20.0934 22.5473 22.5473 k = 0.5178 0.1859-0.7477 ( 532 PWs) bands (ev): -7.1305 -7.1305 -6.1226 -6.1226 0.6591 0.6591 4.3275 4.3275 8.5314 8.5314 14.4614 14.4614 20.0904 20.0904 22.5419 22.5419 k = 0.5268 0.1891-0.7411 ( 532 PWs) bands (ev): -7.1440 -7.1440 -6.1086 -6.1086 0.6601 0.6601 4.3170 4.3170 8.5495 8.5495 14.4637 14.4637 20.0857 20.0857 22.5328 22.5328 k = 0.5357 0.1923-0.7344 ( 532 PWs) bands (ev): -7.1622 -7.1622 -6.0895 -6.0895 0.6617 0.6617 4.3026 4.3026 8.5745 8.5745 14.4669 14.4669 20.0794 20.0794 22.5199 22.5199 k = 0.5446 0.1955-0.7278 ( 532 PWs) bands (ev): -7.1848 -7.1848 -6.0659 -6.0659 0.6636 0.6636 4.2844 4.2844 8.6063 8.6063 14.4710 14.4710 20.0716 20.0716 22.5032 22.5032 k = 0.5535 0.1987-0.7212 ( 531 PWs) bands (ev): -7.2112 -7.2112 -6.0381 -6.0381 0.6660 0.6660 4.2628 4.2628 8.6444 8.6444 14.4760 14.4760 20.0626 20.0626 22.4826 22.4826 k = 0.5625 0.2019-0.7146 ( 530 PWs) bands (ev): -7.2410 -7.2410 -6.0068 -6.0068 0.6688 0.6688 4.2382 4.2382 8.6884 8.6884 14.4819 14.4819 20.0527 20.0527 22.4579 22.4579 k = 0.5714 0.2051-0.7080 ( 528 PWs) bands (ev): -7.2737 -7.2737 -5.9722 -5.9722 0.6721 0.6721 4.2107 4.2107 8.7379 8.7379 14.4886 14.4886 20.0423 20.0423 22.4289 22.4289 k = 0.5803 0.2083-0.7013 ( 528 PWs) bands (ev): -7.3090 -7.3090 -5.9349 -5.9349 0.6757 0.6757 4.1808 4.1808 8.7925 8.7925 14.4961 14.4961 20.0316 20.0316 22.3955 22.3955 k = 0.5892 0.2115-0.6947 ( 530 PWs) bands (ev): -7.3465 -7.3465 -5.8952 -5.8952 0.6798 0.6798 4.1488 4.1488 8.8516 8.8516 14.5045 14.5045 20.0211 20.0211 22.3576 22.3576 k = 0.5982 0.2147-0.6881 ( 530 PWs) bands (ev): -7.3858 -7.3858 -5.8533 -5.8533 0.6843 0.6843 4.1152 4.1152 8.9148 8.9148 14.5136 14.5136 20.0111 20.0111 22.3150 22.3150 k = 0.6071 0.2179-0.6815 ( 526 PWs) bands (ev): -7.4268 -7.4268 -5.8095 -5.8095 0.6892 0.6892 4.0804 4.0804 8.9817 8.9817 14.5235 14.5235 20.0021 20.0021 22.2676 22.2676 k = 0.6160 0.2211-0.6749 ( 524 PWs) bands (ev): -7.4692 -7.4692 -5.7639 -5.7639 0.6946 0.6946 4.0444 4.0444 9.0515 9.0515 14.5341 14.5341 19.9944 19.9944 22.2153 22.2153 k = 0.6249 0.2243-0.6682 ( 524 PWs) bands (ev): -7.5129 -7.5129 -5.7169 -5.7169 0.7003 0.7003 4.0079 4.0079 9.1239 9.1239 14.5454 14.5454 19.9885 19.9885 22.1579 22.1579 k = 0.6339 0.2275-0.6616 ( 522 PWs) bands (ev): -7.5578 -7.5578 -5.6685 -5.6685 0.7064 0.7064 3.9711 3.9711 9.1986 9.1986 14.5573 14.5573 19.9846 19.9846 22.0953 22.0953 k = 0.6428 0.2307-0.6550 ( 522 PWs) bands (ev): -7.6036 -7.6036 -5.6189 -5.6189 0.7129 0.7129 3.9342 3.9342 9.2748 9.2748 14.5699 14.5699 19.9832 19.9832 22.0275 22.0275 k = 0.6517 0.2339-0.6484 ( 520 PWs) bands (ev): -7.6502 -7.6502 -5.5680 -5.5680 0.7198 0.7198 3.8977 3.8977 9.3523 9.3523 14.5830 14.5830 19.9845 19.9845 21.9544 21.9544 k = 0.6517 0.2339-0.6484 ( 520 PWs) bands (ev): -7.6502 -7.6502 -5.5680 -5.5680 0.7198 0.7198 3.8977 3.8977 9.3523 9.3523 14.5830 14.5830 19.9845 19.9845 21.9544 21.9544 k = 0.6495 0.2331-0.6372 ( 525 PWs) bands (ev): -7.7700 -7.7700 -5.4238 -5.4238 0.7351 0.7351 3.7843 3.7843 9.4798 9.4798 14.5911 14.5911 20.0844 20.0844 21.9267 21.9267 k = 0.6472 0.2323-0.6260 ( 527 PWs) bands (ev): -7.8913 -7.8913 -5.2749 -5.2749 0.7525 0.7525 3.6673 3.6673 9.6146 9.6146 14.6004 14.6004 20.1718 20.1718 21.9102 21.9102 k = 0.6450 0.2315-0.6148 ( 529 PWs) bands (ev): -8.0133 -8.0133 -5.1221 -5.1221 0.7720 0.7720 3.5469 3.5469 9.7560 9.7560 14.6107 14.6107 20.2446 20.2446 21.9066 21.9066 k = 0.6428 0.2307-0.6036 ( 530 PWs) bands (ev): -8.1353 -8.1353 -4.9662 -4.9662 0.7935 0.7935 3.4241 3.4241 9.9033 9.9033 14.6221 14.6221 20.3010 20.3010 21.9171 21.9171 k = 0.6406 0.2299-0.5924 ( 530 PWs) bands (ev): -8.2569 -8.2569 -4.8076 -4.8076 0.8172 0.8172 3.2993 3.2993 10.0557 10.0557 14.6346 14.6346 20.3402 20.3402 21.9424 21.9424 k = 0.6383 0.2291-0.5812 ( 528 PWs) bands (ev): -8.3778 -8.3778 -4.6468 -4.6468 0.8430 0.8430 3.1732 3.1732 10.2126 10.2126 14.6482 14.6482 20.3620 20.3620 21.9818 21.9818 k = 0.6361 0.2283-0.5701 ( 528 PWs) bands (ev): -8.4977 -8.4977 -4.4839 -4.4839 0.8707 0.8707 3.0460 3.0460 10.3737 10.3737 14.6627 14.6627 20.3675 20.3675 22.0338 22.0338 k = 0.6339 0.2275-0.5589 ( 528 PWs) bands (ev): -8.6164 -8.6164 -4.3193 -4.3193 0.9005 0.9005 2.9183 2.9183 10.5384 10.5384 14.6783 14.6783 20.3585 20.3585 22.0960 22.0960 k = 0.6316 0.2267-0.5477 ( 528 PWs) bands (ev): -8.7338 -8.7338 -4.1529 -4.1529 0.9323 0.9323 2.7904 2.7904 10.7063 10.7063 14.6949 14.6949 20.3371 20.3371 22.1655 22.1655 k = 0.6294 0.2259-0.5365 ( 528 PWs) bands (ev): -8.8499 -8.8499 -3.9850 -3.9850 0.9660 0.9660 2.6626 2.6626 10.8771 10.8771 14.7125 14.7125 20.3055 20.3055 22.2396 22.2396 k = 0.6272 0.2251-0.5253 ( 528 PWs) bands (ev): -8.9644 -8.9644 -3.8157 -3.8157 1.0018 1.0018 2.5351 2.5351 11.0505 11.0505 14.7310 14.7310 20.2657 20.2657 22.3154 22.3154 k = 0.6249 0.2243-0.5141 ( 526 PWs) bands (ev): -9.0774 -9.0774 -3.6451 -3.6451 1.0396 1.0396 2.4082 2.4082 11.2261 11.2261 14.7504 14.7504 20.2192 20.2192 22.3905 22.3905 k = 0.6227 0.2235-0.5029 ( 526 PWs) bands (ev): -9.1888 -9.1888 -3.4733 -3.4733 1.0792 1.0792 2.2820 2.2820 11.4037 11.4037 14.7707 14.7707 20.1676 20.1676 22.4626 22.4626 k = 0.6205 0.2227-0.4917 ( 524 PWs) bands (ev): -9.2985 -9.2985 -3.3003 -3.3003 1.1207 1.1207 2.1568 2.1568 11.5831 11.5831 14.7919 14.7919 20.1118 20.1118 22.5299 22.5299 k = 0.6182 0.2219-0.4805 ( 528 PWs) bands (ev): -9.4066 -9.4066 -3.1263 -3.1263 1.1641 1.1641 2.0327 2.0327 11.7640 11.7640 14.8138 14.8138 20.0527 20.0527 22.5905 22.5905 k = 0.6160 0.2211-0.4693 ( 530 PWs) bands (ev): -9.5129 -9.5129 -2.9515 -2.9515 1.2093 1.2093 1.9098 1.9098 11.9461 11.9461 14.8366 14.8366 19.9912 19.9912 22.6429 22.6429 k = 0.6138 0.2203-0.4582 ( 530 PWs) bands (ev): -9.6174 -9.6174 -2.7758 -2.7758 1.2563 1.2563 1.7884 1.7884 12.1293 12.1293 14.8601 14.8601 19.9277 19.9277 22.6861 22.6861 k = 0.6116 0.2195-0.4470 ( 528 PWs) bands (ev): -9.7201 -9.7201 -2.5993 -2.5993 1.3053 1.3053 1.6684 1.6684 12.3134 12.3134 14.8843 14.8843 19.8628 19.8628 22.7190 22.7190 k = 0.6093 0.2187-0.4358 ( 530 PWs) bands (ev): -9.8210 -9.8210 -2.4221 -2.4221 1.3558 1.3558 1.5500 1.5500 12.4981 12.4981 14.9092 14.9092 19.7968 19.7968 22.7405 22.7405 k = 0.6071 0.2179-0.4246 ( 526 PWs) bands (ev): -9.9201 -9.9201 -2.2442 -2.2442 1.4081 1.4081 1.4333 1.4333 12.6835 12.6835 14.9348 14.9348 19.7300 19.7300 22.7509 22.7509 k = 0.6049 0.2171-0.4134 ( 527 PWs) bands (ev): -10.0172 -10.0172 -2.0658 -2.0658 1.3183 1.3183 1.4620 1.4620 12.8689 12.8689 14.9608 14.9608 19.6627 19.6627 22.7496 22.7496 k = 0.6026 0.2163-0.4022 ( 527 PWs) bands (ev): -10.1125 -10.1125 -1.8870 -1.8870 1.2052 1.2052 1.5176 1.5176 13.0546 13.0546 14.9874 14.9874 19.5950 19.5950 22.6267 22.6267 k = 0.6004 0.2155-0.3910 ( 525 PWs) bands (ev): -10.2059 -10.2059 -1.7080 -1.7080 1.0939 1.0939 1.5750 1.5750 13.2402 13.2402 15.0146 15.0146 19.5273 19.5273 22.3972 22.3972 k = 0.5982 0.2147-0.3798 ( 525 PWs) bands (ev): -10.2974 -10.2974 -1.5287 -1.5287 0.9847 0.9847 1.6336 1.6336 13.4256 13.4256 15.0419 15.0419 19.4597 19.4597 22.1674 22.1674 k = 0.5959 0.2139-0.3686 ( 523 PWs) bands (ev): -10.3870 -10.3870 -1.3491 -1.3491 0.8774 0.8774 1.6937 1.6937 13.6106 13.6106 15.0697 15.0697 19.3923 19.3923 21.9379 21.9379 k = 0.5937 0.2131-0.3574 ( 523 PWs) bands (ev): -10.4746 -10.4746 -1.1696 -1.1696 0.7722 0.7722 1.7553 1.7553 13.7950 13.7950 15.0977 15.0977 19.3252 19.3252 21.7087 21.7087 k = 0.5915 0.2123-0.3463 ( 523 PWs) bands (ev): -10.5603 -10.5603 -0.9903 -0.9903 0.6692 0.6692 1.8182 1.8182 13.9787 13.9787 15.1258 15.1258 19.2587 19.2587 21.4803 21.4803 k = 0.5892 0.2115-0.3351 ( 523 PWs) bands (ev): -10.6440 -10.6440 -0.8111 -0.8111 0.5683 0.5683 1.8824 1.8824 14.1616 14.1616 15.1540 15.1540 19.1927 19.1927 21.2527 21.2527 k = 0.5870 0.2107-0.3239 ( 523 PWs) bands (ev): -10.7258 -10.7258 -0.6324 -0.6324 0.4698 0.4698 1.9478 1.9478 14.3433 14.3433 15.1823 15.1823 19.1274 19.1274 21.0264 21.0264 k = 0.5848 0.2099-0.3127 ( 524 PWs) bands (ev): -10.8055 -10.8055 -0.4543 -0.4543 0.3738 0.3738 2.0144 2.0144 14.5237 14.5237 15.2105 15.2105 19.0630 19.0630 20.8015 20.8015 k = 0.5825 0.2091-0.3015 ( 524 PWs) bands (ev): -10.8833 -10.8833 -0.2774 -0.2774 0.2805 0.2805 2.0820 2.0820 14.7026 14.7026 15.2385 15.2385 18.9994 18.9994 20.5784 20.5784 k = 0.5803 0.2083-0.2903 ( 524 PWs) bands (ev): -10.9591 -10.9591 -0.1033 -0.1033 0.1919 0.1919 2.1507 2.1507 14.8797 14.8797 15.2664 15.2664 18.9367 18.9367 20.3572 20.3572 k = 0.5781 0.2075-0.2791 ( 526 PWs) bands (ev): -11.0329 -11.0329 0.0413 0.0413 0.1340 0.1340 2.2201 2.2201 15.0549 15.0549 15.2941 15.2941 18.8750 18.8750 20.1382 20.1382 k = 0.5759 0.2067-0.2679 ( 526 PWs) bands (ev): -11.1047 -11.1047 -0.0011 -0.0011 0.2647 0.2647 2.2904 2.2904 15.2267 15.2267 15.3226 15.3226 18.8144 18.8144 19.9215 19.9215 k = 0.5736 0.2059-0.2567 ( 526 PWs) bands (ev): -11.1745 -11.1745 -0.0822 -0.0822 0.4353 0.4353 2.3615 2.3615 15.3416 15.3416 15.4054 15.4054 18.7550 18.7550 19.7073 19.7073 k = 0.5714 0.2051-0.2455 ( 526 PWs) bands (ev): -11.2422 -11.2422 -0.1637 -0.1637 0.6075 0.6075 2.4332 2.4332 15.3702 15.3702 15.5714 15.5714 18.6968 18.6968 19.4960 19.4960 k = 0.5692 0.2043-0.2344 ( 524 PWs) bands (ev): -11.3079 -11.3079 -0.2435 -0.2435 0.7790 0.7790 2.5054 2.5054 15.3955 15.3955 15.7379 15.7379 18.6398 18.6398 19.2876 19.2876 k = 0.5669 0.2035-0.2232 ( 524 PWs) bands (ev): -11.3716 -11.3716 -0.3212 -0.3212 0.9491 0.9491 2.5780 2.5780 15.4194 15.4194 15.9016 15.9016 18.5842 18.5842 19.0824 19.0824 k = 0.5647 0.2027-0.2120 ( 524 PWs) bands (ev): -11.4332 -11.4332 -0.3966 -0.3966 1.1175 1.1175 2.6509 2.6509 15.4423 15.4423 16.0625 16.0625 18.5299 18.5299 18.8806 18.8806 k = 0.5625 0.2019-0.2008 ( 525 PWs) bands (ev): -11.4928 -11.4928 -0.4696 -0.4696 1.2840 1.2840 2.7239 2.7239 15.4639 15.4639 16.2202 16.2202 18.4771 18.4771 18.6825 18.6825 k = 0.5602 0.2011-0.1896 ( 527 PWs) bands (ev): -11.5503 -11.5503 -0.5402 -0.5402 1.4483 1.4483 2.7969 2.7969 15.4841 15.4841 16.3748 16.3748 18.4256 18.4256 18.4877 18.4877 k = 0.5580 0.2003-0.1784 ( 527 PWs) bands (ev): -11.6058 -11.6058 -0.6083 -0.6083 1.6104 1.6104 2.8697 2.8697 15.5030 15.5030 16.5259 16.5259 18.2972 18.2972 18.3760 18.3760 k = 0.5558 0.1995-0.1672 ( 527 PWs) bands (ev): -11.6592 -11.6592 -0.6740 -0.6740 1.7698 1.7698 2.9423 2.9423 15.5204 15.5204 16.6734 16.6734 18.1112 18.1112 18.3277 18.3277 k = 0.5535 0.1987-0.1560 ( 527 PWs) bands (ev): -11.7106 -11.7106 -0.7373 -0.7373 1.9264 1.9264 3.0145 3.0145 15.5362 15.5362 16.8170 16.8170 17.9297 17.9297 18.2810 18.2810 k = 0.5513 0.1979-0.1448 ( 527 PWs) bands (ev): -11.7599 -11.7599 -0.7980 -0.7980 2.0798 2.0798 3.0860 3.0860 15.5502 15.5502 16.9566 16.9566 17.7529 17.7529 18.2360 18.2360 k = 0.5491 0.1971-0.1336 ( 525 PWs) bands (ev): -11.8071 -11.8071 -0.8562 -0.8562 2.2300 2.2300 3.1570 3.1570 15.5627 15.5627 17.0920 17.0920 17.5811 17.5811 18.1927 18.1927 k = 0.5469 0.1963-0.1225 ( 522 PWs) bands (ev): -11.8522 -11.8522 -0.9119 -0.9119 2.3767 2.3767 3.2268 3.2268 15.5733 15.5733 17.2229 17.2229 17.4144 17.4144 18.1511 18.1511 k = 0.5446 0.1955-0.1113 ( 518 PWs) bands (ev): -11.8952 -11.8952 -0.9650 -0.9650 2.5194 2.5194 3.2955 3.2955 15.5821 15.5821 17.2532 17.2532 17.3491 17.3491 18.1116 18.1116 k = 0.5424 0.1947-0.1001 ( 518 PWs) bands (ev): -11.9362 -11.9362 -1.0156 -1.0156 2.6578 2.6578 3.3627 3.3627 15.5888 15.5888 17.0976 17.0976 17.4702 17.4702 18.0739 18.0739 k = 0.5402 0.1939-0.0889 ( 520 PWs) bands (ev): -11.9751 -11.9751 -1.0637 -1.0637 2.7918 2.7918 3.4281 3.4281 15.5938 15.5938 16.9473 16.9473 17.5858 17.5858 18.0385 18.0385 k = 0.5379 0.1931-0.0777 ( 520 PWs) bands (ev): -12.0119 -12.0119 -1.1092 -1.1092 2.9210 2.9210 3.4920 3.4920 15.5969 15.5969 16.8037 16.8037 17.6954 17.6954 18.0059 18.0059 k = 0.5357 0.1923-0.0665 ( 520 PWs) bands (ev): -12.0467 -12.0467 -1.1522 -1.1522 3.0451 3.0451 3.5538 3.5538 15.5983 15.5983 16.6665 16.6665 17.7963 17.7963 17.9784 17.9784 k = 0.5335 0.1915-0.0553 ( 522 PWs) bands (ev): -12.0793 -12.0793 -1.1926 -1.1926 3.1638 3.1638 3.6134 3.6134 15.5981 15.5981 16.5359 16.5359 17.8747 17.8747 17.9697 17.9697 k = 0.5312 0.1907-0.0441 ( 523 PWs) bands (ev): -12.1098 -12.1098 -1.2304 -1.2304 3.2768 3.2768 3.6705 3.6705 15.5961 15.5961 16.4122 16.4122 17.8878 17.8878 18.0228 18.0228 k = 0.5290 0.1899-0.0329 ( 523 PWs) bands (ev): -12.1383 -12.1383 -1.2656 -1.2656 3.3838 3.3838 3.7250 3.7250 15.5931 15.5931 16.2957 16.2957 17.8691 17.8691 18.1037 18.1037 k = 0.5268 0.1891-0.0217 ( 525 PWs) bands (ev): -12.1646 -12.1646 -1.2983 -1.2983 3.4844 3.4844 3.7765 3.7765 15.5889 15.5889 16.1864 16.1864 17.8466 17.8466 18.1842 18.1842 k = 0.5245 0.1883-0.0106 ( 527 PWs) bands (ev): -12.1889 -12.1889 -1.3283 -1.3283 3.5783 3.5783 3.8250 3.8250 15.5837 15.5837 16.0849 16.0849 17.8247 17.8247 18.2601 18.2601 k = 0.5223 0.1875 0.0006 ( 526 PWs) bands (ev): -12.2110 -12.2110 -1.3557 -1.3557 3.6655 3.6655 3.8701 3.8701 15.5780 15.5780 15.9913 15.9913 17.8042 17.8042 18.3303 18.3303 k = 0.5201 0.1867 0.0118 ( 527 PWs) bands (ev): -12.2310 -12.2310 -1.3806 -1.3806 3.7451 3.7451 3.9117 3.9117 15.5714 15.5714 15.9059 15.9059 17.7853 17.7853 18.3946 18.3946 k = 0.5178 0.1859 0.0230 ( 527 PWs) bands (ev): -12.2490 -12.2490 -1.4028 -1.4028 3.8174 3.8174 3.9494 3.9494 15.5649 15.5649 15.8284 15.8284 17.7683 17.7683 18.4526 18.4526 k = 0.5156 0.1851 0.0342 ( 527 PWs) bands (ev): -12.2648 -12.2648 -1.4224 -1.4224 3.8817 3.8817 3.9833 3.9833 15.5584 15.5584 15.7599 15.7599 17.7532 17.7532 18.5040 18.5040 k = 0.5134 0.1843 0.0454 ( 527 PWs) bands (ev): -12.2785 -12.2785 -1.4395 -1.4395 3.9380 3.9380 4.0131 4.0131 15.5521 15.5521 15.7000 15.7000 17.7400 17.7400 18.5488 18.5488 k = 0.5112 0.1835 0.0566 ( 525 PWs) bands (ev): -12.2901 -12.2901 -1.4539 -1.4539 3.9862 3.9862 4.0387 4.0387 15.5464 15.5464 15.6491 15.6491 17.7289 17.7289 18.5870 18.5870 k = 0.5089 0.1827 0.0678 ( 522 PWs) bands (ev): -12.2996 -12.2996 -1.4656 -1.4656 4.0255 4.0255 4.0600 4.0600 15.5415 15.5415 15.6074 15.6074 17.7198 17.7198 18.6182 18.6182 k = 0.5067 0.1819 0.0790 ( 522 PWs) bands (ev): -12.3069 -12.3069 -1.4748 -1.4748 4.0560 4.0560 4.0769 4.0769 15.5373 15.5373 15.5749 15.5749 17.7127 17.7127 18.6426 18.6426 k = 0.5045 0.1811 0.0902 ( 522 PWs) bands (ev): -12.3122 -12.3122 -1.4813 -1.4813 4.0773 4.0773 4.0897 4.0897 15.5338 15.5338 15.5519 15.5519 17.7076 17.7076 18.6601 18.6601 k = 0.5022 0.1803 0.1013 ( 522 PWs) bands (ev): -12.3154 -12.3154 -1.4852 -1.4852 4.0890 4.0890 4.0984 4.0984 15.5305 15.5305 15.5393 15.5393 17.7045 17.7045 18.6706 18.6706 k = 0.5000 0.1795 0.1125 ( 522 PWs) bands (ev): -12.3164 -12.3164 -1.4865 -1.4865 4.0926 4.0926 4.1018 4.1018 15.5283 15.5283 15.5361 15.5361 17.7035 17.7035 18.6741 18.6741 k = 0.5000-0.6068-0.3805 ( 528 PWs) bands (ev): -7.2344 -7.2344 -6.2205 -6.2205 0.7137 0.7137 5.1564 5.1564 8.9973 8.9973 14.8622 14.8622 19.4087 19.4087 19.5469 19.5469 k = 0.5095-0.6012-0.3769 ( 524 PWs) bands (ev): -7.2348 -7.2348 -6.2197 -6.2197 0.7141 0.7141 5.1537 5.1537 8.9991 8.9991 14.8620 14.8620 19.3853 19.3853 19.5739 19.5739 k = 0.5190-0.5955-0.3734 ( 522 PWs) bands (ev): -7.2362 -7.2362 -6.2173 -6.2173 0.7141 0.7141 5.1457 5.1457 9.0039 9.0039 14.8607 14.8607 19.3393 19.3393 19.6303 19.6303 k = 0.5284-0.5899-0.3699 ( 520 PWs) bands (ev): -7.2386 -7.2386 -6.2133 -6.2133 0.7140 0.7140 5.1326 5.1326 9.0120 9.0120 14.8585 14.8585 19.2900 19.2900 19.6969 19.6969 k = 0.5379-0.5843-0.3664 ( 520 PWs) bands (ev): -7.2418 -7.2418 -6.2078 -6.2078 0.7139 0.7139 5.1144 5.1144 9.0229 9.0229 14.8555 14.8555 19.2426 19.2426 19.7686 19.7686 k = 0.5474-0.5787-0.3629 ( 522 PWs) bands (ev): -7.2460 -7.2460 -6.2008 -6.2008 0.7138 0.7138 5.0913 5.0913 9.0365 9.0365 14.8517 14.8517 19.1986 19.1986 19.8437 19.8437 k = 0.5569-0.5731-0.3594 ( 521 PWs) bands (ev): -7.2511 -7.2511 -6.1923 -6.1923 0.7137 0.7137 5.0637 5.0637 9.0525 9.0525 14.8471 14.8471 19.1590 19.1590 19.9214 19.9214 k = 0.5664-0.5675-0.3558 ( 521 PWs) bands (ev): -7.2571 -7.2571 -6.1822 -6.1822 0.7135 0.7135 5.0319 5.0319 9.0706 9.0706 14.8417 14.8417 19.1242 19.1242 20.0012 20.0012 k = 0.5759-0.5619-0.3523 ( 521 PWs) bands (ev): -7.2639 -7.2639 -6.1707 -6.1707 0.7134 0.7134 4.9964 4.9964 9.0903 9.0903 14.8356 14.8356 19.0946 19.0946 20.0828 20.0828 k = 0.5853-0.5563-0.3488 ( 521 PWs) bands (ev): -7.2715 -7.2715 -6.1578 -6.1578 0.7132 0.7132 4.9574 4.9574 9.1113 9.1113 14.8287 14.8287 19.0705 19.0705 20.1658 20.1658 k = 0.5948-0.5507-0.3453 ( 521 PWs) bands (ev): -7.2800 -7.2800 -6.1436 -6.1436 0.7130 0.7130 4.9155 4.9155 9.1332 9.1332 14.8212 14.8212 19.0522 19.0522 20.2499 20.2499 k = 0.6043-0.5451-0.3418 ( 523 PWs) bands (ev): -7.2893 -7.2893 -6.1280 -6.1280 0.7127 0.7127 4.8708 4.8708 9.1555 9.1555 14.8130 14.8130 19.0397 19.0397 20.3348 20.3348 k = 0.6138-0.5395-0.3383 ( 523 PWs) bands (ev): -7.2994 -7.2994 -6.1112 -6.1112 0.7125 0.7125 4.8240 4.8240 9.1780 9.1780 14.8042 14.8042 19.0334 19.0334 20.4204 20.4204 k = 0.6233-0.5339-0.3347 ( 521 PWs) bands (ev): -7.3102 -7.3102 -6.0931 -6.0931 0.7124 0.7124 4.7754 4.7754 9.2003 9.2003 14.7949 14.7949 19.0333 19.0333 20.5063 20.5063 k = 0.6327-0.5282-0.3312 ( 523 PWs) bands (ev): -7.3218 -7.3218 -6.0738 -6.0738 0.7121 0.7121 4.7252 4.7252 9.2218 9.2218 14.7851 14.7851 19.0395 19.0395 20.5924 20.5924 k = 0.6422-0.5226-0.3277 ( 523 PWs) bands (ev): -7.3341 -7.3341 -6.0533 -6.0533 0.7120 0.7120 4.6740 4.6740 9.2426 9.2426 14.7748 14.7748 19.0520 19.0520 20.6785 20.6785 k = 0.6517-0.5170-0.3242 ( 523 PWs) bands (ev): -7.3472 -7.3472 -6.0318 -6.0318 0.7119 0.7119 4.6220 4.6220 9.2623 9.2623 14.7641 14.7641 19.0709 19.0709 20.7643 20.7643 k = 0.6612-0.5114-0.3207 ( 525 PWs) bands (ev): -7.3609 -7.3609 -6.0092 -6.0092 0.7117 0.7117 4.5696 4.5696 9.2804 9.2804 14.7531 14.7531 19.0960 19.0960 20.8496 20.8496 k = 0.6707-0.5058-0.3172 ( 525 PWs) bands (ev): -7.3754 -7.3754 -5.9855 -5.9855 0.7117 0.7117 4.5170 4.5170 9.2971 9.2971 14.7417 14.7417 19.1272 19.1272 20.9342 20.9342 k = 0.6802-0.5002-0.3136 ( 523 PWs) bands (ev): -7.3906 -7.3906 -5.9609 -5.9609 0.7117 0.7117 4.4647 4.4647 9.3122 9.3122 14.7301 14.7301 19.1645 19.1645 21.0180 21.0180 k = 0.6896-0.4946-0.3101 ( 525 PWs) bands (ev): -7.4065 -7.4065 -5.9353 -5.9353 0.7118 0.7118 4.4127 4.4127 9.3252 9.3252 14.7184 14.7184 19.2074 19.2074 21.1006 21.1006 k = 0.6991-0.4890-0.3066 ( 525 PWs) bands (ev): -7.4231 -7.4231 -5.9088 -5.9088 0.7119 0.7119 4.3615 4.3615 9.3366 9.3366 14.7065 14.7065 19.2558 19.2558 21.1820 21.1820 k = 0.7086-0.4834-0.3031 ( 525 PWs) bands (ev): -7.4403 -7.4403 -5.8814 -5.8814 0.7121 0.7121 4.3112 4.3112 9.3461 9.3461 14.6945 14.6945 19.3093 19.3093 21.2619 21.2619 k = 0.7181-0.4778-0.2996 ( 522 PWs) bands (ev): -7.4582 -7.4582 -5.8532 -5.8532 0.7125 0.7125 4.2621 4.2621 9.3537 9.3537 14.6825 14.6825 19.3675 19.3675 21.3403 21.3403 k = 0.7276-0.4722-0.2961 ( 522 PWs) bands (ev): -7.4769 -7.4769 -5.8242 -5.8242 0.7128 0.7128 4.2143 4.2143 9.3595 9.3595 14.6705 14.6705 19.4297 19.4297 21.4167 21.4167 k = 0.7370-0.4666-0.2925 ( 522 PWs) bands (ev): -7.4962 -7.4962 -5.7945 -5.7945 0.7133 0.7133 4.1679 4.1679 9.3635 9.3635 14.6587 14.6587 19.4955 19.4955 21.4912 21.4912 k = 0.7465-0.4609-0.2890 ( 524 PWs) bands (ev): -7.5162 -7.5162 -5.7640 -5.7640 0.7138 0.7138 4.1232 4.1232 9.3658 9.3658 14.6470 14.6470 19.5640 19.5640 21.5635 21.5635 k = 0.7560-0.4553-0.2855 ( 525 PWs) bands (ev): -7.5369 -7.5369 -5.7329 -5.7329 0.7145 0.7145 4.0804 4.0804 9.3666 9.3666 14.6355 14.6355 19.6346 19.6346 21.6337 21.6337 k = 0.7655-0.4497-0.2820 ( 523 PWs) bands (ev): -7.5582 -7.5582 -5.7010 -5.7010 0.7153 0.7153 4.0395 4.0395 9.3661 9.3661 14.6242 14.6242 19.7066 19.7066 21.7018 21.7018 k = 0.7750-0.4441-0.2785 ( 523 PWs) bands (ev): -7.5802 -7.5802 -5.6686 -5.6686 0.7162 0.7162 4.0006 4.0006 9.3642 9.3642 14.6133 14.6133 19.7787 19.7787 21.7677 21.7677 k = 0.7845-0.4385-0.2750 ( 523 PWs) bands (ev): -7.6029 -7.6029 -5.6356 -5.6356 0.7173 0.7173 3.9640 3.9640 9.3611 9.3611 14.6028 14.6028 19.8499 19.8499 21.8316 21.8316 k = 0.7939-0.4329-0.2714 ( 523 PWs) bands (ev): -7.6263 -7.6263 -5.6021 -5.6021 0.7185 0.7185 3.9296 3.9296 9.3571 9.3571 14.5926 14.5926 19.9189 19.9189 21.8937 21.8937 k = 0.8034-0.4273-0.2679 ( 520 PWs) bands (ev): -7.6502 -7.6502 -5.5680 -5.5680 0.7198 0.7198 3.8977 3.8977 9.3523 9.3523 14.5830 14.5830 19.9845 19.9845 21.9544 21.9544 Writing output data file C.save init_run : 0.06s CPU 0.43s WALL ( 1 calls) electrons : 20.72s CPU 22.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.00s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 20.71s CPU 22.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 507 calls) cegterg : 18.91s CPU 19.45s WALL ( 511 calls) Called by sum_band: Called by *egterg: h_psi : 8.90s CPU 9.27s WALL ( 6196 calls) s_psi : 0.10s CPU 0.11s WALL ( 6196 calls) g_psi : 0.02s CPU 0.01s WALL ( 5178 calls) cdiaghg : 9.65s CPU 10.01s WALL ( 5685 calls) cegterg:over : 0.66s CPU 0.56s WALL ( 5178 calls) cegterg:upda : 0.37s CPU 0.40s WALL ( 5178 calls) cegterg:last : 0.17s CPU 0.20s WALL ( 1201 calls) cdiaghg:chol : 0.48s CPU 0.57s WALL ( 5685 calls) cdiaghg:inve : 0.15s CPU 0.13s WALL ( 5685 calls) cdiaghg:para : 0.64s CPU 0.73s WALL ( 11370 calls) Called by h_psi: h_psi:vloc : 8.50s CPU 8.82s WALL ( 6196 calls) h_psi:vnl : 0.39s CPU 0.44s WALL ( 6196 calls) add_vuspsi : 0.14s CPU 0.14s WALL ( 6196 calls) General routines calbec : 0.24s CPU 0.28s WALL ( 6196 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 7.83s CPU 8.18s WALL ( 253684 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.08s WALL ( 1014 calls) Parallel routines fft_scatter : 4.26s CPU 4.40s WALL ( 253707 calls) PWSCF : 0m27.92s CPU 1m 0.55s WALL This run was terminated on: 17:11:19 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=