Program PWSCF v.5.1.1 starts on 17Jul2015 at 14:26: 1 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BiB.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 20 6 874 333 56 Max 40 21 7 875 353 59 Sum 1225 649 199 27989 10969 1837 bravais-lattice index = 14 lattice parameter (alat) = 7.3867 a.u. unit-cell volume = 284.9972 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.386724 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 -0.0050645 0.0071623), wk = 0.0026247 k( 3) = ( 0.0175439 -0.0101290 0.0143245), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0026247 k( 5) = ( 0.0350877 -0.0202579 0.0286490), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0253224 0.0358113), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0354513 0.0501358), wk = 0.0026247 k( 9) = ( 0.0701754 -0.0405158 0.0572980), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0506448 0.0716225), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0557092 0.0787848), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0658382 0.0931093), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0709027 0.1002715), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0026247 k( 17) = ( 0.1403509 -0.0810316 0.1145960), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0860961 0.1217583), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0026247 k( 21) = ( 0.1754386 -0.1012895 0.1432450), wk = 0.0026247 k( 22) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0026247 k( 23) = ( 0.1929825 -0.1114185 0.1575695), wk = 0.0026247 k( 24) = ( 0.2017544 -0.1164830 0.1647318), wk = 0.0026247 k( 25) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0026247 k( 26) = ( 0.2192983 -0.1266119 0.1790563), wk = 0.0026247 k( 27) = ( 0.2280702 -0.1316764 0.1862185), wk = 0.0026247 k( 28) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0026247 k( 29) = ( 0.2456140 -0.1418053 0.2005430), wk = 0.0026247 k( 30) = ( 0.2543860 -0.1468698 0.2077053), wk = 0.0026247 k( 31) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0026247 k( 32) = ( 0.2719298 -0.1569988 0.2220298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.1620632 0.2291920), wk = 0.0026247 k( 34) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0026247 k( 35) = ( 0.2982456 -0.1721922 0.2435165), wk = 0.0026247 k( 36) = ( 0.3070175 -0.1772567 0.2506788), wk = 0.0026247 k( 37) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0026247 k( 38) = ( 0.3245614 -0.1873856 0.2650033), wk = 0.0026247 k( 39) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0026247 k( 40) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0026247 k( 41) = ( 0.3508772 -0.2025790 0.2864900), wk = 0.0026247 k( 42) = ( 0.3596491 -0.2076435 0.2936523), wk = 0.0026247 k( 43) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0026247 k( 44) = ( 0.3771930 -0.2177725 0.3079768), wk = 0.0026247 k( 45) = ( 0.3859649 -0.2228369 0.3151390), wk = 0.0026247 k( 46) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0026247 k( 47) = ( 0.4035088 -0.2329659 0.3294635), wk = 0.0026247 k( 48) = ( 0.4122807 -0.2380304 0.3366258), wk = 0.0026247 k( 49) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0026247 k( 50) = ( 0.4298246 -0.2481593 0.3509503), wk = 0.0026247 k( 51) = ( 0.4385965 -0.2532238 0.3581125), wk = 0.0026247 k( 52) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0026247 k( 53) = ( 0.4561404 -0.2633528 0.3724370), wk = 0.0026247 k( 54) = ( 0.4649123 -0.2684172 0.3795993), wk = 0.0026247 k( 55) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0026247 k( 56) = ( 0.4824561 -0.2785462 0.3939238), wk = 0.0026247 k( 57) = ( 0.4912281 -0.2836107 0.4010860), wk = 0.0026247 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 60) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0026247 k( 61) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0026247 k( 62) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0026247 k( 63) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0026247 k( 64) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0026247 k( 65) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0026247 k( 66) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0026247 k( 67) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0026247 k( 68) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0026247 k( 69) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0026247 k( 70) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0026247 k( 71) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0026247 k( 72) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0026247 k( 73) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0026247 k( 74) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0026247 k( 75) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0026247 k( 76) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0026247 k( 77) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0026247 k( 78) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0026247 k( 79) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0026247 k( 80) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0026247 k( 81) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0026247 k( 82) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0026247 k( 83) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0026247 k( 84) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0026247 k( 85) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0026247 k( 86) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0026247 k( 87) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0026247 k( 88) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 90) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0026247 k( 91) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0026247 k( 92) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0026247 k( 93) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0026247 k( 94) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0026247 k( 95) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0026247 k( 96) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0026247 k( 97) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0026247 k( 98) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0026247 k( 99) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0026247 k( 100) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0026247 k( 101) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0026247 k( 102) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0026247 k( 103) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0026247 k( 104) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0026247 k( 105) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0026247 k( 106) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0026247 k( 107) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0026247 k( 108) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0026247 k( 109) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0026247 k( 110) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 112) = ( 0.3688525 0.2129571 0.6023335), wk = 0.0026247 k( 113) = ( 0.3627049 0.2094078 0.5922947), wk = 0.0026247 k( 114) = ( 0.3565574 0.2058585 0.5822558), wk = 0.0026247 k( 115) = ( 0.3504098 0.2023092 0.5722169), wk = 0.0026247 k( 116) = ( 0.3442623 0.1987599 0.5621780), wk = 0.0026247 k( 117) = ( 0.3381148 0.1952106 0.5521391), wk = 0.0026247 k( 118) = ( 0.3319672 0.1916614 0.5421002), wk = 0.0026247 k( 119) = ( 0.3258197 0.1881121 0.5320613), wk = 0.0026247 k( 120) = ( 0.3196721 0.1845628 0.5220224), wk = 0.0026247 k( 121) = ( 0.3135246 0.1810135 0.5119835), wk = 0.0026247 k( 122) = ( 0.3073770 0.1774642 0.5019446), wk = 0.0026247 k( 123) = ( 0.3012295 0.1739149 0.4919057), wk = 0.0026247 k( 124) = ( 0.2950820 0.1703657 0.4818668), wk = 0.0026247 k( 125) = ( 0.2889344 0.1668164 0.4718279), wk = 0.0026247 k( 126) = ( 0.2827869 0.1632671 0.4617890), wk = 0.0026247 k( 127) = ( 0.2766393 0.1597178 0.4517502), wk = 0.0026247 k( 128) = ( 0.2704918 0.1561685 0.4417113), wk = 0.0026247 k( 129) = ( 0.2643443 0.1526192 0.4316724), wk = 0.0026247 k( 130) = ( 0.2581967 0.1490699 0.4216335), wk = 0.0026247 k( 131) = ( 0.2520492 0.1455207 0.4115946), wk = 0.0026247 k( 132) = ( 0.2459016 0.1419714 0.4015557), wk = 0.0026247 k( 133) = ( 0.2397541 0.1384221 0.3915168), wk = 0.0026247 k( 134) = ( 0.2336066 0.1348728 0.3814779), wk = 0.0026247 k( 135) = ( 0.2274590 0.1313235 0.3714390), wk = 0.0026247 k( 136) = ( 0.2213115 0.1277742 0.3614001), wk = 0.0026247 k( 137) = ( 0.2151639 0.1242250 0.3513612), wk = 0.0026247 k( 138) = ( 0.2090164 0.1206757 0.3413223), wk = 0.0026247 k( 139) = ( 0.2028688 0.1171264 0.3312834), wk = 0.0026247 k( 140) = ( 0.1967213 0.1135771 0.3212446), wk = 0.0026247 k( 141) = ( 0.1905738 0.1100278 0.3112057), wk = 0.0026247 k( 142) = ( 0.1844262 0.1064785 0.3011668), wk = 0.0026247 k( 143) = ( 0.1782787 0.1029292 0.2911279), wk = 0.0026247 k( 144) = ( 0.1721312 0.0993800 0.2810890), wk = 0.0026247 k( 145) = ( 0.1659836 0.0958307 0.2710501), wk = 0.0026247 k( 146) = ( 0.1598361 0.0922814 0.2610112), wk = 0.0026247 k( 147) = ( 0.1536885 0.0887321 0.2509723), wk = 0.0026247 k( 148) = ( 0.1475410 0.0851828 0.2409334), wk = 0.0026247 k( 149) = ( 0.1413934 0.0816335 0.2308945), wk = 0.0026247 k( 150) = ( 0.1352459 0.0780843 0.2208556), wk = 0.0026247 k( 151) = ( 0.1290984 0.0745350 0.2108167), wk = 0.0026247 k( 152) = ( 0.1229508 0.0709857 0.2007778), wk = 0.0026247 k( 153) = ( 0.1168033 0.0674364 0.1907390), wk = 0.0026247 k( 154) = ( 0.1106557 0.0638871 0.1807001), wk = 0.0026247 k( 155) = ( 0.1045082 0.0603378 0.1706612), wk = 0.0026247 k( 156) = ( 0.0983607 0.0567886 0.1606223), wk = 0.0026247 k( 157) = ( 0.0922131 0.0532393 0.1505834), wk = 0.0026247 k( 158) = ( 0.0860656 0.0496900 0.1405445), wk = 0.0026247 k( 159) = ( 0.0799180 0.0461407 0.1305056), wk = 0.0026247 k( 160) = ( 0.0737705 0.0425914 0.1204667), wk = 0.0026247 k( 161) = ( 0.0676230 0.0390421 0.1104278), wk = 0.0026247 k( 162) = ( 0.0614754 0.0354928 0.1003889), wk = 0.0026247 k( 163) = ( 0.0553279 0.0319436 0.0903500), wk = 0.0026247 k( 164) = ( 0.0491803 0.0283943 0.0803111), wk = 0.0026247 k( 165) = ( 0.0430328 0.0248450 0.0702722), wk = 0.0026247 k( 166) = ( 0.0368853 0.0212957 0.0602333), wk = 0.0026247 k( 167) = ( 0.0307377 0.0177464 0.0501945), wk = 0.0026247 k( 168) = ( 0.0245902 0.0141971 0.0401556), wk = 0.0026247 k( 169) = ( 0.0184426 0.0106479 0.0301167), wk = 0.0026247 k( 170) = ( 0.0122951 0.0070986 0.0200778), wk = 0.0026247 k( 171) = ( 0.0061475 0.0035493 0.0100389), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0057735 0.0040825), wk = 0.0026247 k( 175) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0026247 k( 176) = ( 0.0300000 0.0173205 0.0122474), wk = 0.0026247 k( 177) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0026247 k( 178) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0026247 k( 179) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0026247 k( 180) = ( 0.0700000 0.0404145 0.0285774), wk = 0.0026247 k( 181) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0026247 k( 182) = ( 0.0900000 0.0519615 0.0367423), wk = 0.0026247 k( 183) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0026247 k( 184) = ( 0.1100000 0.0635085 0.0449073), wk = 0.0026247 k( 185) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0026247 k( 186) = ( 0.1300000 0.0750555 0.0530723), wk = 0.0026247 k( 187) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0026247 k( 188) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0026247 k( 189) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0026247 k( 190) = ( 0.1700000 0.0981495 0.0694022), wk = 0.0026247 k( 191) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0026247 k( 192) = ( 0.1900000 0.1096966 0.0775672), wk = 0.0026247 k( 193) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0026247 k( 194) = ( 0.2100000 0.1212436 0.0857321), wk = 0.0026247 k( 195) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0026247 k( 196) = ( 0.2300000 0.1327906 0.0938971), wk = 0.0026247 k( 197) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0026247 k( 198) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0026247 k( 199) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0026247 k( 200) = ( 0.2700000 0.1558846 0.1102270), wk = 0.0026247 k( 201) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0026247 k( 202) = ( 0.2900000 0.1674316 0.1183920), wk = 0.0026247 k( 203) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0026247 k( 204) = ( 0.3100000 0.1789786 0.1265570), wk = 0.0026247 k( 205) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0026247 k( 206) = ( 0.3300000 0.1905256 0.1347219), wk = 0.0026247 k( 207) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0026247 k( 208) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0026247 k( 209) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0026247 k( 210) = ( 0.3700000 0.2136196 0.1510519), wk = 0.0026247 k( 211) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0026247 k( 212) = ( 0.3900000 0.2251666 0.1592168), wk = 0.0026247 k( 213) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0026247 k( 214) = ( 0.4100000 0.2367136 0.1673818), wk = 0.0026247 k( 215) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0026247 k( 216) = ( 0.4300000 0.2482606 0.1755468), wk = 0.0026247 k( 217) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0026247 k( 218) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0026247 k( 219) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0026247 k( 220) = ( 0.4700000 0.2713546 0.1918767), wk = 0.0026247 k( 221) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0026247 k( 222) = ( 0.4900000 0.2829016 0.2000417), wk = 0.0026247 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 225) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026247 k( 226) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026247 k( 227) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026247 k( 228) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026247 k( 229) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026247 k( 230) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026247 k( 231) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026247 k( 232) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026247 k( 233) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026247 k( 234) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026247 k( 235) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026247 k( 236) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026247 k( 237) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026247 k( 238) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026247 k( 239) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026247 k( 240) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026247 k( 241) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026247 k( 242) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026247 k( 243) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026247 k( 244) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026247 k( 245) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026247 k( 246) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026247 k( 247) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026247 k( 248) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026247 k( 249) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026247 k( 250) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026247 k( 251) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026247 k( 252) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026247 k( 253) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026247 k( 254) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026247 k( 255) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026247 k( 256) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026247 k( 257) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026247 k( 258) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026247 k( 259) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 260) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 261) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0026247 k( 262) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0026247 k( 263) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0026247 k( 264) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0026247 k( 265) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0026247 k( 266) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0026247 k( 267) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0026247 k( 268) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0026247 k( 269) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0026247 k( 270) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0026247 k( 271) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0026247 k( 272) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0026247 k( 273) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0026247 k( 274) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0026247 k( 275) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0026247 k( 276) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0026247 k( 277) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0026247 k( 278) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0026247 k( 279) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0026247 k( 280) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0026247 k( 281) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 282) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026247 k( 283) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0026247 k( 284) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0026247 k( 285) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0026247 k( 286) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0026247 k( 287) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0026247 k( 288) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0026247 k( 289) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0026247 k( 290) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0026247 k( 291) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0026247 k( 292) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0026247 k( 293) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0026247 k( 294) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0026247 k( 295) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0026247 k( 296) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0026247 k( 297) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0026247 k( 298) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0026247 k( 299) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0026247 k( 300) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0026247 k( 301) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0026247 k( 302) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0026247 k( 303) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0026247 k( 304) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0026247 k( 305) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0026247 k( 306) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0026247 k( 307) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0026247 k( 308) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0026247 k( 309) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0026247 k( 310) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0026247 k( 311) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0026247 k( 312) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0026247 k( 313) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0026247 k( 314) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0026247 k( 315) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0026247 k( 316) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0026247 k( 317) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0026247 k( 318) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0026247 k( 319) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0026247 k( 320) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0026247 k( 321) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0026247 k( 322) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0026247 k( 323) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 324) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 325) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026247 k( 326) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026247 k( 327) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026247 k( 328) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026247 k( 329) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026247 k( 330) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026247 k( 331) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026247 k( 332) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026247 k( 333) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026247 k( 334) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026247 k( 335) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026247 k( 336) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026247 k( 337) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026247 k( 338) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026247 k( 339) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026247 k( 340) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026247 k( 341) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026247 k( 342) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026247 k( 343) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026247 k( 344) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026247 k( 345) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026247 k( 346) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026247 k( 347) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026247 k( 348) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026247 k( 349) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026247 k( 350) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026247 k( 351) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026247 k( 352) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026247 k( 353) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026247 k( 354) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026247 k( 355) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026247 k( 356) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026247 k( 357) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026247 k( 358) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026247 k( 359) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 360) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 361) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0026247 k( 362) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0026247 k( 363) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0026247 k( 364) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0026247 k( 365) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0026247 k( 366) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0026247 k( 367) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0026247 k( 368) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0026247 k( 369) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0026247 k( 370) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0026247 k( 371) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0026247 k( 372) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0026247 k( 373) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0026247 k( 374) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0026247 k( 375) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0026247 k( 376) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0026247 k( 377) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0026247 k( 378) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0026247 k( 379) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0026247 k( 380) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0026247 k( 381) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 0.0000000 0.0087719), wk = 0.0026247 k( 3) = ( 0.0175439 0.0000000 0.0175439), wk = 0.0026247 k( 4) = ( 0.0263158 0.0000000 0.0263158), wk = 0.0026247 k( 5) = ( 0.0350877 0.0000000 0.0350877), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0000000 0.0438597), wk = 0.0026247 k( 7) = ( 0.0526316 0.0000000 0.0526316), wk = 0.0026247 k( 8) = ( 0.0614035 0.0000000 0.0614035), wk = 0.0026247 k( 9) = ( 0.0701754 0.0000000 0.0701754), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0000000 0.0877193), wk = 0.0026247 k( 12) = ( 0.0964912 0.0000000 0.0964912), wk = 0.0026247 k( 13) = ( 0.1052632 0.0000000 0.1052632), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0000000 0.1140351), wk = 0.0026247 k( 15) = ( 0.1228070 0.0000000 0.1228070), wk = 0.0026247 k( 16) = ( 0.1315790 0.0000000 0.1315790), wk = 0.0026247 k( 17) = ( 0.1403509 0.0000000 0.1403509), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026247 k( 21) = ( 0.1754386 -0.0000000 0.1754386), wk = 0.0026247 k( 22) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0026247 k( 23) = ( 0.1929825 0.0000000 0.1929825), wk = 0.0026247 k( 24) = ( 0.2017544 0.0000000 0.2017544), wk = 0.0026247 k( 25) = ( 0.2105263 0.0000000 0.2105263), wk = 0.0026247 k( 26) = ( 0.2192983 0.0000000 0.2192983), wk = 0.0026247 k( 27) = ( 0.2280702 -0.0000000 0.2280702), wk = 0.0026247 k( 28) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0026247 k( 29) = ( 0.2456140 0.0000000 0.2456140), wk = 0.0026247 k( 30) = ( 0.2543860 0.0000000 0.2543860), wk = 0.0026247 k( 31) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0026247 k( 32) = ( 0.2719298 0.0000000 0.2719298), wk = 0.0026247 k( 33) = ( 0.2807018 0.0000000 0.2807018), wk = 0.0026247 k( 34) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0026247 k( 35) = ( 0.2982456 0.0000000 0.2982456), wk = 0.0026247 k( 36) = ( 0.3070175 0.0000000 0.3070175), wk = 0.0026247 k( 37) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0026247 k( 38) = ( 0.3245614 0.0000000 0.3245614), wk = 0.0026247 k( 39) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0026247 k( 40) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0026247 k( 41) = ( 0.3508772 -0.0000000 0.3508772), wk = 0.0026247 k( 42) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0026247 k( 43) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0026247 k( 44) = ( 0.3771930 0.0000000 0.3771930), wk = 0.0026247 k( 45) = ( 0.3859649 0.0000000 0.3859649), wk = 0.0026247 k( 46) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0026247 k( 47) = ( 0.4035088 0.0000000 0.4035088), wk = 0.0026247 k( 48) = ( 0.4122807 0.0000000 0.4122807), wk = 0.0026247 k( 49) = ( 0.4210526 0.0000000 0.4210526), wk = 0.0026247 k( 50) = ( 0.4298246 0.0000000 0.4298246), wk = 0.0026247 k( 51) = ( 0.4385965 0.0000000 0.4385965), wk = 0.0026247 k( 52) = ( 0.4473684 0.0000000 0.4473684), wk = 0.0026247 k( 53) = ( 0.4561404 0.0000000 0.4561404), wk = 0.0026247 k( 54) = ( 0.4649123 0.0000000 0.4649123), wk = 0.0026247 k( 55) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0026247 k( 56) = ( 0.4824561 0.0000000 0.4824561), wk = 0.0026247 k( 57) = ( 0.4912281 0.0000000 0.4912281), wk = 0.0026247 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 60) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0026247 k( 61) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0026247 k( 62) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0026247 k( 63) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0026247 k( 64) = ( 0.5000000 0.0431034 0.5431035), wk = 0.0026247 k( 65) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0026247 k( 66) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0026247 k( 67) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0026247 k( 68) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0026247 k( 69) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0026247 k( 70) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0026247 k( 71) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0026247 k( 72) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0026247 k( 73) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0026247 k( 74) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0026247 k( 75) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0026247 k( 76) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0026247 k( 77) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0026247 k( 78) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0026247 k( 79) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0026247 k( 80) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0026247 k( 81) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0026247 k( 82) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0026247 k( 83) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0026247 k( 84) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0026247 k( 85) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0026247 k( 86) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0026247 k( 87) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0026247 k( 88) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 90) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0026247 k( 91) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0026247 k( 92) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0026247 k( 93) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0026247 k( 94) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0026247 k( 95) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0026247 k( 96) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0026247 k( 97) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0026247 k( 98) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0026247 k( 99) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0026247 k( 100) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0026247 k( 101) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0026247 k( 102) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0026247 k( 103) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0026247 k( 104) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0026247 k( 105) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0026247 k( 106) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0026247 k( 107) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0026247 k( 108) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0026247 k( 109) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0026247 k( 110) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 112) = ( 0.3688525 0.3688525 0.7377049), wk = 0.0026247 k( 113) = ( 0.3627049 0.3627049 0.7254098), wk = 0.0026247 k( 114) = ( 0.3565574 0.3565574 0.7131148), wk = 0.0026247 k( 115) = ( 0.3504098 0.3504098 0.7008197), wk = 0.0026247 k( 116) = ( 0.3442623 0.3442623 0.6885246), wk = 0.0026247 k( 117) = ( 0.3381148 0.3381148 0.6762295), wk = 0.0026247 k( 118) = ( 0.3319672 0.3319672 0.6639344), wk = 0.0026247 k( 119) = ( 0.3258197 0.3258197 0.6516393), wk = 0.0026247 k( 120) = ( 0.3196721 0.3196721 0.6393443), wk = 0.0026247 k( 121) = ( 0.3135246 0.3135246 0.6270492), wk = 0.0026247 k( 122) = ( 0.3073770 0.3073771 0.6147541), wk = 0.0026247 k( 123) = ( 0.3012295 0.3012295 0.6024590), wk = 0.0026247 k( 124) = ( 0.2950820 0.2950820 0.5901639), wk = 0.0026247 k( 125) = ( 0.2889344 0.2889344 0.5778689), wk = 0.0026247 k( 126) = ( 0.2827869 0.2827869 0.5655738), wk = 0.0026247 k( 127) = ( 0.2766393 0.2766393 0.5532787), wk = 0.0026247 k( 128) = ( 0.2704918 0.2704918 0.5409836), wk = 0.0026247 k( 129) = ( 0.2643443 0.2643443 0.5286885), wk = 0.0026247 k( 130) = ( 0.2581967 0.2581967 0.5163934), wk = 0.0026247 k( 131) = ( 0.2520492 0.2520492 0.5040984), wk = 0.0026247 k( 132) = ( 0.2459016 0.2459016 0.4918033), wk = 0.0026247 k( 133) = ( 0.2397541 0.2397541 0.4795082), wk = 0.0026247 k( 134) = ( 0.2336066 0.2336066 0.4672131), wk = 0.0026247 k( 135) = ( 0.2274590 0.2274590 0.4549180), wk = 0.0026247 k( 136) = ( 0.2213115 0.2213115 0.4426230), wk = 0.0026247 k( 137) = ( 0.2151639 0.2151639 0.4303279), wk = 0.0026247 k( 138) = ( 0.2090164 0.2090164 0.4180328), wk = 0.0026247 k( 139) = ( 0.2028688 0.2028688 0.4057377), wk = 0.0026247 k( 140) = ( 0.1967213 0.1967213 0.3934426), wk = 0.0026247 k( 141) = ( 0.1905738 0.1905738 0.3811475), wk = 0.0026247 k( 142) = ( 0.1844262 0.1844262 0.3688525), wk = 0.0026247 k( 143) = ( 0.1782787 0.1782787 0.3565574), wk = 0.0026247 k( 144) = ( 0.1721312 0.1721312 0.3442623), wk = 0.0026247 k( 145) = ( 0.1659836 0.1659836 0.3319672), wk = 0.0026247 k( 146) = ( 0.1598361 0.1598361 0.3196721), wk = 0.0026247 k( 147) = ( 0.1536885 0.1536885 0.3073771), wk = 0.0026247 k( 148) = ( 0.1475410 0.1475410 0.2950820), wk = 0.0026247 k( 149) = ( 0.1413934 0.1413934 0.2827869), wk = 0.0026247 k( 150) = ( 0.1352459 0.1352459 0.2704918), wk = 0.0026247 k( 151) = ( 0.1290984 0.1290984 0.2581967), wk = 0.0026247 k( 152) = ( 0.1229508 0.1229508 0.2459016), wk = 0.0026247 k( 153) = ( 0.1168033 0.1168033 0.2336066), wk = 0.0026247 k( 154) = ( 0.1106557 0.1106557 0.2213115), wk = 0.0026247 k( 155) = ( 0.1045082 0.1045082 0.2090164), wk = 0.0026247 k( 156) = ( 0.0983607 0.0983607 0.1967213), wk = 0.0026247 k( 157) = ( 0.0922131 0.0922131 0.1844262), wk = 0.0026247 k( 158) = ( 0.0860656 0.0860656 0.1721312), wk = 0.0026247 k( 159) = ( 0.0799180 0.0799180 0.1598361), wk = 0.0026247 k( 160) = ( 0.0737705 0.0737705 0.1475410), wk = 0.0026247 k( 161) = ( 0.0676230 0.0676230 0.1352459), wk = 0.0026247 k( 162) = ( 0.0614754 0.0614754 0.1229508), wk = 0.0026247 k( 163) = ( 0.0553279 0.0553279 0.1106557), wk = 0.0026247 k( 164) = ( 0.0491803 0.0491803 0.0983607), wk = 0.0026247 k( 165) = ( 0.0430328 0.0430328 0.0860656), wk = 0.0026247 k( 166) = ( 0.0368853 0.0368853 0.0737705), wk = 0.0026247 k( 167) = ( 0.0307377 0.0307377 0.0614754), wk = 0.0026247 k( 168) = ( 0.0245902 0.0245902 0.0491803), wk = 0.0026247 k( 169) = ( 0.0184426 0.0184426 0.0368853), wk = 0.0026247 k( 170) = ( 0.0122951 0.0122951 0.0245902), wk = 0.0026247 k( 171) = ( 0.0061475 0.0061475 0.0122951), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0026247 k( 175) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0026247 k( 176) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0026247 k( 177) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0026247 k( 178) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0026247 k( 179) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0026247 k( 180) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0026247 k( 181) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0026247 k( 182) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0026247 k( 183) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 184) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0026247 k( 185) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0026247 k( 186) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0026247 k( 187) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0026247 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0026247 k( 189) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0026247 k( 190) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0026247 k( 191) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0026247 k( 192) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0026247 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 194) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0026247 k( 195) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0026247 k( 196) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0026247 k( 197) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0026247 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 199) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0026247 k( 200) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0026247 k( 201) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0026247 k( 202) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0026247 k( 203) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 204) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0026247 k( 205) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0026247 k( 206) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0026247 k( 207) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0026247 k( 208) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0026247 k( 209) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0026247 k( 210) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0026247 k( 211) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0026247 k( 212) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0026247 k( 213) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 214) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0026247 k( 215) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0026247 k( 216) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0026247 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0026247 k( 218) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0026247 k( 219) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0026247 k( 220) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0026247 k( 221) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0026247 k( 222) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0026247 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 225) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026247 k( 226) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026247 k( 227) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026247 k( 228) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026247 k( 229) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026247 k( 230) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026247 k( 231) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026247 k( 232) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026247 k( 233) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026247 k( 234) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026247 k( 235) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026247 k( 236) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026247 k( 237) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026247 k( 238) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026247 k( 239) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026247 k( 240) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026247 k( 241) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026247 k( 242) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026247 k( 243) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026247 k( 244) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026247 k( 245) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026247 k( 246) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026247 k( 247) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026247 k( 248) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026247 k( 249) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026247 k( 250) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026247 k( 251) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026247 k( 252) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026247 k( 253) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026247 k( 254) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026247 k( 255) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026247 k( 256) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026247 k( 257) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026247 k( 258) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026247 k( 259) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 260) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 261) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0026247 k( 262) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0026247 k( 263) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0026247 k( 264) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0026247 k( 265) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0026247 k( 266) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0026247 k( 267) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0026247 k( 268) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0026247 k( 269) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0026247 k( 270) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0026247 k( 271) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0026247 k( 272) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0026247 k( 273) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0026247 k( 274) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0026247 k( 275) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0026247 k( 276) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0026247 k( 277) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0026247 k( 278) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0026247 k( 279) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0026247 k( 280) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0026247 k( 281) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 282) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 283) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0026247 k( 284) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0026247 k( 285) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0026247 k( 286) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0026247 k( 287) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0026247 k( 288) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0026247 k( 289) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0026247 k( 290) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0026247 k( 291) = ( 0.5000000 0.3048781 0.6951220), wk = 0.0026247 k( 292) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0026247 k( 293) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0026247 k( 294) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0026247 k( 295) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0026247 k( 296) = ( 0.5000000 0.3353659 0.6646342), wk = 0.0026247 k( 297) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0026247 k( 298) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0026247 k( 299) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0026247 k( 300) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0026247 k( 301) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0026247 k( 302) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0026247 k( 303) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0026247 k( 304) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0026247 k( 305) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0026247 k( 306) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0026247 k( 307) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0026247 k( 308) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0026247 k( 309) = ( 0.5000000 0.4146341 0.5853659), wk = 0.0026247 k( 310) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0026247 k( 311) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0026247 k( 312) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0026247 k( 313) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0026247 k( 314) = ( 0.5000000 0.4451220 0.5548781), wk = 0.0026247 k( 315) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0026247 k( 316) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0026247 k( 317) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0026247 k( 318) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0026247 k( 319) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0026247 k( 320) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0026247 k( 321) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0026247 k( 322) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0026247 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 325) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026247 k( 326) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026247 k( 327) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026247 k( 328) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026247 k( 329) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026247 k( 330) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026247 k( 331) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026247 k( 332) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026247 k( 333) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026247 k( 334) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026247 k( 335) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026247 k( 336) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026247 k( 337) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026247 k( 338) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026247 k( 339) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026247 k( 340) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026247 k( 341) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026247 k( 342) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026247 k( 343) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026247 k( 344) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026247 k( 345) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026247 k( 346) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026247 k( 347) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026247 k( 348) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026247 k( 349) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026247 k( 350) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026247 k( 351) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026247 k( 352) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026247 k( 353) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026247 k( 354) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026247 k( 355) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026247 k( 356) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026247 k( 357) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026247 k( 358) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026247 k( 359) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 360) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 361) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0026247 k( 362) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0026247 k( 363) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0026247 k( 364) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0026247 k( 365) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0026247 k( 366) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0026247 k( 367) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0026247 k( 368) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0026247 k( 369) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0026247 k( 370) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0026247 k( 371) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0026247 k( 372) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0026247 k( 373) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0026247 k( 374) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0026247 k( 375) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0026247 k( 376) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0026247 k( 377) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0026247 k( 378) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0026247 k( 379) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0026247 k( 380) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0026247 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 Dense grid: 27989 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 10969 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 96, 16) NL pseudopotentials 0.02 Mb ( 48, 30) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 875) G-vector shells 0.00 Mb ( 258) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 96, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 30, 2, 16) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BiB.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 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.3 secs Computing kpt #: 10 total cpu time spent up to now is 2.4 secs Computing kpt #: 11 total cpu time spent up to now is 2.5 secs Computing kpt #: 12 total cpu time spent up to now is 2.5 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.7 secs Computing kpt #: 16 total cpu time spent up to now is 2.8 secs Computing kpt #: 17 total cpu time spent up to now is 2.9 secs Computing kpt #: 18 total cpu time spent up to now is 2.9 secs Computing kpt #: 19 total cpu time spent up to now is 3.0 secs Computing kpt #: 20 total cpu time spent up to now is 3.1 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.2 secs Computing kpt #: 23 total cpu time spent up to now is 3.3 secs Computing kpt #: 24 total cpu time spent up to now is 3.4 secs Computing kpt #: 25 total cpu time spent up to now is 3.4 secs Computing kpt #: 26 total cpu time spent up to now is 3.5 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.7 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.9 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 4.0 secs Computing kpt #: 34 total cpu time spent up to now is 4.0 secs Computing kpt #: 35 total cpu time spent up to now is 4.1 secs Computing kpt #: 36 total cpu time spent up to now is 4.2 secs Computing kpt #: 37 total cpu time spent up to now is 4.3 secs Computing kpt #: 38 total cpu time spent up to now is 4.4 secs Computing kpt #: 39 total cpu time spent up to now is 4.4 secs Computing kpt #: 40 total cpu time spent up to now is 4.5 secs Computing kpt #: 41 total cpu time spent up to now is 4.7 secs Computing kpt #: 42 total cpu time spent up to now is 4.8 secs Computing kpt #: 43 total cpu time spent up to now is 4.9 secs Computing kpt #: 44 total cpu time spent up to now is 5.0 secs Computing kpt #: 45 total cpu time spent up to now is 5.1 secs Computing kpt #: 46 total cpu time spent up to now is 5.2 secs Computing kpt #: 47 total cpu time spent up to now is 5.3 secs Computing kpt #: 48 total cpu time spent up to now is 5.4 secs Computing kpt #: 49 total cpu time spent up to now is 5.5 secs Computing kpt #: 50 total cpu time spent up to now is 5.6 secs Computing kpt #: 51 total cpu time spent up to now is 5.7 secs Computing kpt #: 52 total cpu time spent up to now is 5.8 secs Computing kpt #: 53 total cpu time spent up to now is 5.9 secs Computing kpt #: 54 total cpu time spent up to now is 6.0 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 6.4 secs Computing kpt #: 59 total cpu time spent up to now is 6.5 secs Computing kpt #: 60 total cpu time spent up to now is 6.6 secs Computing kpt #: 61 total cpu time spent up to now is 6.7 secs Computing kpt #: 62 total cpu time spent up to now is 6.8 secs Computing kpt #: 63 total cpu time spent up to now is 6.9 secs Computing kpt #: 64 total cpu time spent up to now is 7.0 secs Computing kpt #: 65 total cpu time spent up to now is 7.0 secs Computing kpt #: 66 total cpu time spent up to now is 7.1 secs Computing kpt #: 67 total cpu time spent up to now is 7.2 secs Computing kpt #: 68 total cpu time spent up to now is 7.3 secs Computing kpt #: 69 total cpu time spent up to now is 7.4 secs Computing kpt #: 70 total cpu time spent up to now is 7.5 secs Computing kpt #: 71 total cpu time spent up to now is 7.6 secs Computing kpt #: 72 total cpu time spent up to now is 7.6 secs Computing kpt #: 73 total cpu time spent up to now is 7.7 secs Computing kpt #: 74 total cpu time spent up to now is 7.8 secs Computing kpt #: 75 total cpu time spent up to now is 7.9 secs Computing kpt #: 76 total cpu time spent up to now is 8.0 secs Computing kpt #: 77 total cpu time spent up to now is 8.1 secs Computing kpt #: 78 total cpu time spent up to now is 8.2 secs Computing kpt #: 79 total cpu time spent up to now is 8.2 secs Computing kpt #: 80 total cpu time spent up to now is 8.3 secs Computing kpt #: 81 total cpu time spent up to now is 8.4 secs Computing kpt #: 82 total cpu time spent up to now is 8.5 secs Computing kpt #: 83 total cpu time spent up to now is 8.6 secs Computing kpt #: 84 total cpu time spent up to now is 8.7 secs Computing kpt #: 85 total cpu time spent up to now is 8.8 secs Computing kpt #: 86 total cpu time spent up to now is 8.8 secs Computing kpt #: 87 total cpu time spent up to now is 8.9 secs Computing kpt #: 88 total cpu time spent up to now is 9.0 secs Computing kpt #: 89 total cpu time spent up to now is 9.1 secs Computing kpt #: 90 total cpu time spent up to now is 9.1 secs Computing kpt #: 91 total cpu time spent up to now is 9.2 secs Computing kpt #: 92 total cpu time spent up to now is 9.3 secs Computing kpt #: 93 total cpu time spent up to now is 9.4 secs Computing kpt #: 94 total cpu time spent up to now is 9.5 secs Computing kpt #: 95 total cpu time spent up to now is 9.6 secs Computing kpt #: 96 total cpu time spent up to now is 9.7 secs Computing kpt #: 97 total cpu time spent up to now is 9.8 secs Computing kpt #: 98 total cpu time spent up to now is 9.9 secs Computing kpt #: 99 total cpu time spent up to now is 9.9 secs Computing kpt #: 100 total cpu time spent up to now is 10.1 secs Computing kpt #: 101 total cpu time spent up to now is 10.1 secs Computing kpt #: 102 total cpu time spent up to now is 10.2 secs Computing kpt #: 103 total cpu time spent up to now is 10.3 secs Computing kpt #: 104 total cpu time spent up to now is 10.4 secs Computing kpt #: 105 total cpu time spent up to now is 10.5 secs Computing kpt #: 106 total cpu time spent up to now is 10.7 secs Computing kpt #: 107 total cpu time spent up to now is 10.8 secs Computing kpt #: 108 total cpu time spent up to now is 10.9 secs Computing kpt #: 109 total cpu time spent up to now is 11.0 secs Computing kpt #: 110 total cpu time spent up to now is 11.1 secs Computing kpt #: 111 total cpu time spent up to now is 11.2 secs Computing kpt #: 112 total cpu time spent up to now is 11.3 secs Computing kpt #: 113 total cpu time spent up to now is 11.4 secs Computing kpt #: 114 total cpu time spent up to now is 11.5 secs Computing kpt #: 115 total cpu time spent up to now is 11.7 secs Computing kpt #: 116 total cpu time spent up to now is 11.8 secs Computing kpt #: 117 total cpu time spent up to now is 11.8 secs Computing kpt #: 118 total cpu time spent up to now is 11.9 secs Computing kpt #: 119 total cpu time spent up to now is 12.0 secs Computing kpt #: 120 total cpu time spent up to now is 12.1 secs Computing kpt #: 121 total cpu time spent up to now is 12.2 secs Computing kpt #: 122 total cpu time spent up to now is 12.3 secs Computing kpt #: 123 total cpu time spent up to now is 12.3 secs Computing kpt #: 124 total cpu time spent up to now is 12.4 secs Computing kpt #: 125 total cpu time spent up to now is 12.5 secs Computing kpt #: 126 total cpu time spent up to now is 12.5 secs Computing kpt #: 127 total cpu time spent up to now is 12.6 secs Computing kpt #: 128 total cpu time spent up to now is 12.7 secs Computing kpt #: 129 total cpu time spent up to now is 12.7 secs Computing kpt #: 130 total cpu time spent up to now is 12.8 secs Computing kpt #: 131 total cpu time spent up to now is 12.9 secs Computing kpt #: 132 total cpu time spent up to now is 13.0 secs Computing kpt #: 133 total cpu time spent up to now is 13.0 secs Computing kpt #: 134 total cpu time spent up to now is 13.1 secs Computing kpt #: 135 total cpu time spent up to now is 13.2 secs Computing kpt #: 136 total cpu time spent up to now is 13.2 secs Computing kpt #: 137 total cpu time spent up to now is 13.3 secs Computing kpt #: 138 total cpu time spent up to now is 13.4 secs Computing kpt #: 139 total cpu time spent up to now is 13.4 secs Computing kpt #: 140 total cpu time spent up to now is 13.5 secs Computing kpt #: 141 total cpu time spent up to now is 13.5 secs Computing kpt #: 142 total cpu time spent up to now is 13.6 secs Computing kpt #: 143 total cpu time spent up to now is 13.7 secs Computing kpt #: 144 total cpu time spent up to now is 13.7 secs Computing kpt #: 145 total cpu time spent up to now is 13.8 secs Computing kpt #: 146 total cpu time spent up to now is 13.9 secs Computing kpt #: 147 total cpu time spent up to now is 13.9 secs Computing kpt #: 148 total cpu time spent up to now is 14.0 secs Computing kpt #: 149 total cpu time spent up to now is 14.1 secs Computing kpt #: 150 total cpu time spent up to now is 14.1 secs Computing kpt #: 151 total cpu time spent up to now is 14.2 secs Computing kpt #: 152 total cpu time spent up to now is 14.3 secs Computing kpt #: 153 total cpu time spent up to now is 14.3 secs Computing kpt #: 154 total cpu time spent up to now is 14.4 secs Computing kpt #: 155 total cpu time spent up to now is 14.5 secs Computing kpt #: 156 total cpu time spent up to now is 14.5 secs Computing kpt #: 157 total cpu time spent up to now is 14.6 secs Computing kpt #: 158 total cpu time spent up to now is 14.7 secs Computing kpt #: 159 total cpu time spent up to now is 14.7 secs Computing kpt #: 160 total cpu time spent up to now is 14.8 secs Computing kpt #: 161 total cpu time spent up to now is 14.9 secs Computing kpt #: 162 total cpu time spent up to now is 14.9 secs Computing kpt #: 163 total cpu time spent up to now is 15.0 secs Computing kpt #: 164 total cpu time spent up to now is 15.1 secs Computing kpt #: 165 total cpu time spent up to now is 15.1 secs Computing kpt #: 166 total cpu time spent up to now is 15.2 secs Computing kpt #: 167 total cpu time spent up to now is 15.3 secs Computing kpt #: 168 total cpu time spent up to now is 15.3 secs Computing kpt #: 169 total cpu time spent up to now is 15.4 secs Computing kpt #: 170 total cpu time spent up to now is 15.4 secs Computing kpt #: 171 total cpu time spent up to now is 15.5 secs Computing kpt #: 172 total cpu time spent up to now is 15.6 secs Computing kpt #: 173 total cpu time spent up to now is 15.6 secs Computing kpt #: 174 total cpu time spent up to now is 15.7 secs Computing kpt #: 175 total cpu time spent up to now is 15.8 secs Computing kpt #: 176 total cpu time spent up to now is 15.8 secs Computing kpt #: 177 total cpu time spent up to now is 15.9 secs Computing kpt #: 178 total cpu time spent up to now is 16.0 secs Computing kpt #: 179 total cpu time spent up to now is 16.0 secs Computing kpt #: 180 total cpu time spent up to now is 16.1 secs Computing kpt #: 181 total cpu time spent up to now is 16.2 secs Computing kpt #: 182 total cpu time spent up to now is 16.2 secs Computing kpt #: 183 total cpu time spent up to now is 16.3 secs Computing kpt #: 184 total cpu time spent up to now is 16.4 secs Computing kpt #: 185 total cpu time spent up to now is 16.4 secs Computing kpt #: 186 total cpu time spent up to now is 16.5 secs Computing kpt #: 187 total cpu time spent up to now is 16.6 secs Computing kpt #: 188 total cpu time spent up to now is 16.6 secs Computing kpt #: 189 total cpu time spent up to now is 16.7 secs Computing kpt #: 190 total cpu time spent up to now is 16.8 secs Computing kpt #: 191 total cpu time spent up to now is 16.8 secs Computing kpt #: 192 total cpu time spent up to now is 16.9 secs Computing kpt #: 193 total cpu time spent up to now is 17.0 secs Computing kpt #: 194 total cpu time spent up to now is 17.0 secs Computing kpt #: 195 total cpu time spent up to now is 17.1 secs Computing kpt #: 196 total cpu time spent up to now is 17.2 secs Computing kpt #: 197 total cpu time spent up to now is 17.2 secs Computing kpt #: 198 total cpu time spent up to now is 17.3 secs Computing kpt #: 199 total cpu time spent up to now is 17.4 secs Computing kpt #: 200 total cpu time spent up to now is 17.4 secs Computing kpt #: 201 total cpu time spent up to now is 17.5 secs Computing kpt #: 202 total cpu time spent up to now is 17.6 secs Computing kpt #: 203 total cpu time spent up to now is 17.7 secs Computing kpt #: 204 total cpu time spent up to now is 17.7 secs Computing kpt #: 205 total cpu time spent up to now is 17.8 secs Computing kpt #: 206 total cpu time spent up to now is 17.9 secs Computing kpt #: 207 total cpu time spent up to now is 18.0 secs Computing kpt #: 208 total cpu time spent up to now is 18.0 secs Computing kpt #: 209 total cpu time spent up to now is 18.1 secs Computing kpt #: 210 total cpu time spent up to now is 18.2 secs Computing kpt #: 211 total cpu time spent up to now is 18.2 secs Computing kpt #: 212 total cpu time spent up to now is 18.3 secs Computing kpt #: 213 total cpu time spent up to now is 18.4 secs Computing kpt #: 214 total cpu time spent up to now is 18.5 secs Computing kpt #: 215 total cpu time spent up to now is 18.6 secs Computing kpt #: 216 total cpu time spent up to now is 18.6 secs Computing kpt #: 217 total cpu time spent up to now is 18.7 secs Computing kpt #: 218 total cpu time spent up to now is 18.8 secs Computing kpt #: 219 total cpu time spent up to now is 18.9 secs Computing kpt #: 220 total cpu time spent up to now is 19.0 secs Computing kpt #: 221 total cpu time spent up to now is 19.0 secs Computing kpt #: 222 total cpu time spent up to now is 19.1 secs Computing kpt #: 223 total cpu time spent up to now is 19.2 secs Computing kpt #: 224 total cpu time spent up to now is 19.3 secs Computing kpt #: 225 total cpu time spent up to now is 19.4 secs Computing kpt #: 226 total cpu time spent up to now is 19.4 secs Computing kpt #: 227 total cpu time spent up to now is 19.5 secs Computing kpt #: 228 total cpu time spent up to now is 19.6 secs Computing kpt #: 229 total cpu time spent up to now is 19.7 secs Computing kpt #: 230 total cpu time spent up to now is 19.8 secs Computing kpt #: 231 total cpu time spent up to now is 19.8 secs Computing kpt #: 232 total cpu time spent up to now is 19.9 secs Computing kpt #: 233 total cpu time spent up to now is 20.0 secs Computing kpt #: 234 total cpu time spent up to now is 20.1 secs Computing kpt #: 235 total cpu time spent up to now is 20.2 secs Computing kpt #: 236 total cpu time spent up to now is 20.2 secs Computing kpt #: 237 total cpu time spent up to now is 20.3 secs Computing kpt #: 238 total cpu time spent up to now is 20.4 secs Computing kpt #: 239 total cpu time spent up to now is 20.5 secs Computing kpt #: 240 total cpu time spent up to now is 20.5 secs Computing kpt #: 241 total cpu time spent up to now is 20.6 secs Computing kpt #: 242 total cpu time spent up to now is 20.7 secs Computing kpt #: 243 total cpu time spent up to now is 20.7 secs Computing kpt #: 244 total cpu time spent up to now is 20.8 secs Computing kpt #: 245 total cpu time spent up to now is 20.9 secs Computing kpt #: 246 total cpu time spent up to now is 21.0 secs Computing kpt #: 247 total cpu time spent up to now is 21.1 secs Computing kpt #: 248 total cpu time spent up to now is 21.2 secs Computing kpt #: 249 total cpu time spent up to now is 21.2 secs Computing kpt #: 250 total cpu time spent up to now is 21.3 secs Computing kpt #: 251 total cpu time spent up to now is 21.4 secs Computing kpt #: 252 total cpu time spent up to now is 21.5 secs Computing kpt #: 253 total cpu time spent up to now is 21.6 secs Computing kpt #: 254 total cpu time spent up to now is 21.7 secs Computing kpt #: 255 total cpu time spent up to now is 21.8 secs Computing kpt #: 256 total cpu time spent up to now is 21.9 secs Computing kpt #: 257 total cpu time spent up to now is 22.0 secs Computing kpt #: 258 total cpu time spent up to now is 22.1 secs Computing kpt #: 259 total cpu time spent up to now is 22.2 secs Computing kpt #: 260 total cpu time spent up to now is 22.3 secs Computing kpt #: 261 total cpu time spent up to now is 22.5 secs Computing kpt #: 262 total cpu time spent up to now is 22.6 secs Computing kpt #: 263 total cpu time spent up to now is 22.7 secs Computing kpt #: 264 total cpu time spent up to now is 22.8 secs Computing kpt #: 265 total cpu time spent up to now is 22.9 secs Computing kpt #: 266 total cpu time spent up to now is 23.0 secs Computing kpt #: 267 total cpu time spent up to now is 23.1 secs Computing kpt #: 268 total cpu time spent up to now is 23.2 secs Computing kpt #: 269 total cpu time spent up to now is 23.3 secs Computing kpt #: 270 total cpu time spent up to now is 23.4 secs Computing kpt #: 271 total cpu time spent up to now is 23.5 secs Computing kpt #: 272 total cpu time spent up to now is 23.5 secs Computing kpt #: 273 total cpu time spent up to now is 23.6 secs Computing kpt #: 274 total cpu time spent up to now is 23.7 secs Computing kpt #: 275 total cpu time spent up to now is 23.8 secs Computing kpt #: 276 total cpu time spent up to now is 23.9 secs Computing kpt #: 277 total cpu time spent up to now is 23.9 secs Computing kpt #: 278 total cpu time spent up to now is 24.0 secs Computing kpt #: 279 total cpu time spent up to now is 24.1 secs Computing kpt #: 280 total cpu time spent up to now is 24.2 secs Computing kpt #: 281 total cpu time spent up to now is 24.2 secs Computing kpt #: 282 total cpu time spent up to now is 24.3 secs Computing kpt #: 283 total cpu time spent up to now is 24.4 secs Computing kpt #: 284 total cpu time spent up to now is 24.4 secs Computing kpt #: 285 total cpu time spent up to now is 24.5 secs Computing kpt #: 286 total cpu time spent up to now is 24.6 secs Computing kpt #: 287 total cpu time spent up to now is 24.7 secs Computing kpt #: 288 total cpu time spent up to now is 24.7 secs Computing kpt #: 289 total cpu time spent up to now is 24.8 secs Computing kpt #: 290 total cpu time spent up to now is 24.9 secs Computing kpt #: 291 total cpu time spent up to now is 25.0 secs Computing kpt #: 292 total cpu time spent up to now is 25.1 secs Computing kpt #: 293 total cpu time spent up to now is 25.2 secs Computing kpt #: 294 total cpu time spent up to now is 25.3 secs Computing kpt #: 295 total cpu time spent up to now is 25.4 secs Computing kpt #: 296 total cpu time spent up to now is 25.5 secs Computing kpt #: 297 total cpu time spent up to now is 25.6 secs Computing kpt #: 298 total cpu time spent up to now is 25.7 secs Computing kpt #: 299 total cpu time spent up to now is 25.8 secs Computing kpt #: 300 total cpu time spent up to now is 25.9 secs Computing kpt #: 301 total cpu time spent up to now is 26.0 secs Computing kpt #: 302 total cpu time spent up to now is 26.1 secs Computing kpt #: 303 total cpu time spent up to now is 26.2 secs Computing kpt #: 304 total cpu time spent up to now is 26.3 secs Computing kpt #: 305 total cpu time spent up to now is 26.3 secs Computing kpt #: 306 total cpu time spent up to now is 26.4 secs Computing kpt #: 307 total cpu time spent up to now is 26.5 secs Computing kpt #: 308 total cpu time spent up to now is 26.6 secs Computing kpt #: 309 total cpu time spent up to now is 26.6 secs Computing kpt #: 310 total cpu time spent up to now is 26.7 secs Computing kpt #: 311 total cpu time spent up to now is 26.8 secs Computing kpt #: 312 total cpu time spent up to now is 26.9 secs Computing kpt #: 313 total cpu time spent up to now is 26.9 secs Computing kpt #: 314 total cpu time spent up to now is 27.0 secs Computing kpt #: 315 total cpu time spent up to now is 27.1 secs Computing kpt #: 316 total cpu time spent up to now is 27.2 secs Computing kpt #: 317 total cpu time spent up to now is 27.3 secs Computing kpt #: 318 total cpu time spent up to now is 27.3 secs Computing kpt #: 319 total cpu time spent up to now is 27.4 secs Computing kpt #: 320 total cpu time spent up to now is 27.5 secs Computing kpt #: 321 total cpu time spent up to now is 27.6 secs Computing kpt #: 322 total cpu time spent up to now is 27.7 secs Computing kpt #: 323 total cpu time spent up to now is 27.7 secs Computing kpt #: 324 total cpu time spent up to now is 27.8 secs Computing kpt #: 325 total cpu time spent up to now is 27.9 secs Computing kpt #: 326 total cpu time spent up to now is 28.0 secs Computing kpt #: 327 total cpu time spent up to now is 28.1 secs Computing kpt #: 328 total cpu time spent up to now is 28.1 secs Computing kpt #: 329 total cpu time spent up to now is 28.2 secs Computing kpt #: 330 total cpu time spent up to now is 28.3 secs Computing kpt #: 331 total cpu time spent up to now is 28.4 secs Computing kpt #: 332 total cpu time spent up to now is 28.5 secs Computing kpt #: 333 total cpu time spent up to now is 28.6 secs Computing kpt #: 334 total cpu time spent up to now is 28.6 secs Computing kpt #: 335 total cpu time spent up to now is 28.7 secs Computing kpt #: 336 total cpu time spent up to now is 28.8 secs Computing kpt #: 337 total cpu time spent up to now is 28.9 secs Computing kpt #: 338 total cpu time spent up to now is 28.9 secs Computing kpt #: 339 total cpu time spent up to now is 29.0 secs Computing kpt #: 340 total cpu time spent up to now is 29.1 secs Computing kpt #: 341 total cpu time spent up to now is 29.2 secs Computing kpt #: 342 total cpu time spent up to now is 29.2 secs Computing kpt #: 343 total cpu time spent up to now is 29.3 secs Computing kpt #: 344 total cpu time spent up to now is 29.4 secs Computing kpt #: 345 total cpu time spent up to now is 29.5 secs Computing kpt #: 346 total cpu time spent up to now is 29.5 secs Computing kpt #: 347 total cpu time spent up to now is 29.6 secs Computing kpt #: 348 total cpu time spent up to now is 29.7 secs Computing kpt #: 349 total cpu time spent up to now is 29.8 secs Computing kpt #: 350 total cpu time spent up to now is 29.9 secs Computing kpt #: 351 total cpu time spent up to now is 30.0 secs Computing kpt #: 352 total cpu time spent up to now is 30.1 secs Computing kpt #: 353 total cpu time spent up to now is 30.2 secs Computing kpt #: 354 total cpu time spent up to now is 30.3 secs Computing kpt #: 355 total cpu time spent up to now is 30.4 secs Computing kpt #: 356 total cpu time spent up to now is 30.5 secs Computing kpt #: 357 total cpu time spent up to now is 30.6 secs Computing kpt #: 358 total cpu time spent up to now is 30.7 secs Computing kpt #: 359 total cpu time spent up to now is 30.8 secs Computing kpt #: 360 total cpu time spent up to now is 30.9 secs Computing kpt #: 361 total cpu time spent up to now is 31.0 secs Computing kpt #: 362 total cpu time spent up to now is 31.1 secs Computing kpt #: 363 total cpu time spent up to now is 31.2 secs Computing kpt #: 364 total cpu time spent up to now is 31.3 secs Computing kpt #: 365 total cpu time spent up to now is 31.4 secs Computing kpt #: 366 total cpu time spent up to now is 31.5 secs Computing kpt #: 367 total cpu time spent up to now is 31.6 secs Computing kpt #: 368 total cpu time spent up to now is 31.7 secs Computing kpt #: 369 total cpu time spent up to now is 31.8 secs Computing kpt #: 370 total cpu time spent up to now is 31.9 secs Computing kpt #: 371 total cpu time spent up to now is 32.0 secs Computing kpt #: 372 total cpu time spent up to now is 32.1 secs Computing kpt #: 373 total cpu time spent up to now is 32.2 secs Computing kpt #: 374 total cpu time spent up to now is 32.3 secs Computing kpt #: 375 total cpu time spent up to now is 32.4 secs Computing kpt #: 376 total cpu time spent up to now is 32.5 secs Computing kpt #: 377 total cpu time spent up to now is 32.6 secs Computing kpt #: 378 total cpu time spent up to now is 32.7 secs Computing kpt #: 379 total cpu time spent up to now is 32.8 secs Computing kpt #: 380 total cpu time spent up to now is 32.9 secs Computing kpt #: 381 total cpu time spent up to now is 33.0 secs ethr = 1.25E-10, avg # of iterations = 21.8 total cpu time spent up to now is 33.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -7.1617 -7.1617 5.6035 5.6035 6.9378 6.9378 6.9541 6.9541 6.9541 6.9541 8.6354 8.6354 10.1421 10.1421 10.1421 10.1421 k = 0.0088-0.0051 0.0072 ( 1363 PWs) bands (ev): -7.1604 -7.1604 5.5935 5.5935 6.8331 6.8331 6.9488 6.9488 7.0605 7.0605 8.6385 8.6385 10.1398 10.1398 10.1490 10.1490 k = 0.0175-0.0101 0.0143 ( 1363 PWs) bands (ev): -7.1565 -7.1565 5.5641 5.5641 6.7223 6.7223 6.9331 6.9331 7.1760 7.1760 8.6476 8.6476 10.1334 10.1334 10.1696 10.1696 k = 0.0263-0.0152 0.0215 ( 1363 PWs) bands (ev): -7.1501 -7.1501 5.5162 5.5162 6.6129 6.6129 6.9071 6.9071 7.2929 7.2929 8.6618 8.6618 10.1240 10.1240 10.2032 10.2032 k = 0.0351-0.0203 0.0286 ( 1371 PWs) bands (ev): -7.1411 -7.1411 5.4517 5.4517 6.5045 6.5045 6.8715 6.8715 7.4105 7.4105 8.6796 8.6796 10.1133 10.1133 10.2493 10.2493 k = 0.0439-0.0253 0.0358 ( 1371 PWs) bands (ev): -7.1295 -7.1295 5.3724 5.3724 6.3969 6.3969 6.8267 6.8267 7.5285 7.5285 8.6991 8.6991 10.1037 10.1037 10.3068 10.3068 k = 0.0526-0.0304 0.0430 ( 1371 PWs) bands (ev): -7.1154 -7.1154 5.2806 5.2806 6.2898 6.2898 6.7737 6.7737 7.6461 7.6461 8.7180 8.7180 10.0976 10.0976 10.3745 10.3745 k = 0.0614-0.0355 0.0501 ( 1371 PWs) bands (ev): -7.0987 -7.0987 5.1780 5.1780 6.1827 6.1827 6.7132 6.7132 7.7626 7.7626 8.7342 8.7342 10.0977 10.0977 10.4516 10.4516 k = 0.0702-0.0405 0.0573 ( 1371 PWs) bands (ev): -7.0794 -7.0794 5.0666 5.0666 6.0757 6.0757 6.6462 6.6462 7.8773 7.8773 8.7456 8.7456 10.1065 10.1065 10.5367 10.5367 k = 0.0789-0.0456 0.0645 ( 1375 PWs) bands (ev): -7.0576 -7.0576 4.9478 4.9478 5.9685 5.9685 6.5737 6.5737 7.9889 7.9889 8.7510 8.7510 10.1258 10.1258 10.6290 10.6290 k = 0.0877-0.0506 0.0716 ( 1375 PWs) bands (ev): -7.0333 -7.0333 4.8229 4.8229 5.8613 5.8613 6.4965 6.4965 8.0962 8.0962 8.7503 8.7503 10.1568 10.1568 10.7275 10.7275 k = 0.0965-0.0557 0.0788 ( 1371 PWs) bands (ev): -7.0064 -7.0064 4.6929 4.6929 5.7541 5.7541 6.4154 6.4154 8.1968 8.1968 8.7448 8.7448 10.1997 10.1997 10.8313 10.8313 k = 0.1053-0.0608 0.0859 ( 1371 PWs) bands (ev): -6.9770 -6.9770 4.5587 4.5587 5.6470 5.6470 6.3312 6.3312 8.2867 8.2867 8.7385 8.7385 10.2543 10.2543 10.9398 10.9398 k = 0.1140-0.0658 0.0931 ( 1363 PWs) bands (ev): -6.9451 -6.9451 4.4210 4.4210 5.5403 5.5403 6.2446 6.2446 8.3589 8.3589 8.7387 8.7387 10.3195 10.3195 11.0522 11.0522 k = 0.1228-0.0709 0.1003 ( 1355 PWs) bands (ev): -6.9107 -6.9107 4.2803 4.2803 5.4340 5.4340 6.1562 6.1562 8.4036 8.4036 8.7559 8.7559 10.3940 10.3940 11.1680 11.1680 k = 0.1316-0.0760 0.1074 ( 1355 PWs) bands (ev): -6.8738 -6.8738 4.1371 4.1371 5.3284 5.3284 6.0665 6.0665 8.4153 8.4153 8.7961 8.7961 10.4767 10.4767 11.2867 11.2867 k = 0.1404-0.0810 0.1146 ( 1355 PWs) bands (ev): -6.8346 -6.8346 3.9917 3.9917 5.2237 5.2237 5.9759 5.9759 8.4000 8.4000 8.8540 8.8540 10.5661 10.5661 11.4078 11.4078 k = 0.1491-0.0861 0.1218 ( 1355 PWs) bands (ev): -6.7929 -6.7929 3.8445 3.8445 5.1200 5.1200 5.8849 5.8849 8.3680 8.3680 8.9196 8.9196 10.6613 10.6613 11.5309 11.5309 k = 0.1579-0.0912 0.1289 ( 1371 PWs) bands (ev): -6.7488 -6.7488 3.6956 3.6956 5.0175 5.0175 5.7939 5.7939 8.3265 8.3265 8.9858 8.9858 10.7612 10.7612 11.6558 11.6558 k = 0.1667-0.0962 0.1361 ( 1371 PWs) bands (ev): -6.7023 -6.7023 3.5454 3.5454 4.9164 4.9164 5.7031 5.7031 8.2796 8.2796 9.0487 9.0487 10.8652 10.8652 11.7821 11.7821 k = 0.1754-0.1013 0.1432 ( 1359 PWs) bands (ev): -6.6533 -6.6533 3.3942 3.3942 4.8168 4.8168 5.6128 5.6128 8.2299 8.2299 9.1057 9.1057 10.9726 10.9726 11.9096 11.9096 k = 0.1842-0.1064 0.1504 ( 1359 PWs) bands (ev): -6.6021 -6.6021 3.2420 3.2420 4.7188 4.7188 5.5233 5.5233 8.1788 8.1788 9.1553 9.1553 11.0827 11.0827 12.0381 12.0381 k = 0.1930-0.1114 0.1576 ( 1351 PWs) bands (ev): -6.5486 -6.5486 3.0891 3.0891 4.6227 4.6227 5.4347 5.4347 8.1272 8.1272 9.1963 9.1963 11.1953 11.1953 12.1672 12.1672 k = 0.2018-0.1165 0.1647 ( 1351 PWs) bands (ev): -6.4928 -6.4928 2.9355 2.9355 4.5284 4.5284 5.3474 5.3474 8.0758 8.0758 9.2280 9.2280 11.3099 11.3099 12.2970 12.2970 k = 0.2105-0.1215 0.1719 ( 1351 PWs) bands (ev): -6.4348 -6.4348 2.7815 2.7815 4.4360 4.4360 5.2613 5.2613 8.0252 8.0252 9.2499 9.2499 11.4262 11.4262 12.4271 12.4271 k = 0.2193-0.1266 0.1791 ( 1355 PWs) bands (ev): -6.3747 -6.3747 2.6271 2.6271 4.3458 4.3458 5.1768 5.1768 7.9756 7.9756 9.2617 9.2617 11.5440 11.5440 12.5575 12.5575 k = 0.2281-0.1317 0.1862 ( 1355 PWs) bands (ev): -6.3123 -6.3123 2.4726 2.4726 4.2577 4.2577 5.0939 5.0939 7.9276 7.9276 9.2636 9.2636 11.6630 11.6630 12.6880 12.6880 k = 0.2368-0.1367 0.1934 ( 1355 PWs) bands (ev): -6.2479 -6.2479 2.3181 2.3181 4.1719 4.1719 5.0128 5.0128 7.8811 7.8811 9.2557 9.2557 11.7831 11.7831 12.8185 12.8185 k = 0.2456-0.1418 0.2005 ( 1355 PWs) bands (ev): -6.1815 -6.1815 2.1637 2.1637 4.0884 4.0884 4.9336 4.9336 7.8365 7.8365 9.2384 9.2384 11.9039 11.9039 12.9488 12.9488 k = 0.2544-0.1469 0.2077 ( 1355 PWs) bands (ev): -6.1131 -6.1131 2.0095 2.0095 4.0072 4.0072 4.8563 4.8563 7.7940 7.7940 9.2125 9.2125 12.0254 12.0254 13.0789 13.0789 k = 0.2632-0.1519 0.2149 ( 1355 PWs) bands (ev): -6.0427 -6.0427 1.8558 1.8558 3.9285 3.9285 4.7811 4.7811 7.7535 7.7535 9.1787 9.1787 12.1473 12.1473 13.2086 13.2086 k = 0.2719-0.1570 0.2220 ( 1351 PWs) bands (ev): -5.9705 -5.9705 1.7026 1.7026 3.8523 3.8523 4.7081 4.7081 7.7153 7.7153 9.1378 9.1378 12.2695 12.2695 13.3377 13.3377 k = 0.2807-0.1621 0.2292 ( 1351 PWs) bands (ev): -5.8966 -5.8966 1.5501 1.5501 3.7786 3.7786 4.6373 4.6373 7.6794 7.6794 9.0907 9.0907 12.3917 12.3917 13.4662 13.4662 k = 0.2895-0.1671 0.2364 ( 1359 PWs) bands (ev): -5.8212 -5.8212 1.3985 1.3985 3.7075 3.7075 4.5688 4.5688 7.6459 7.6459 9.0383 9.0383 12.5137 12.5137 13.5940 13.5940 k = 0.2982-0.1722 0.2435 ( 1355 PWs) bands (ev): -5.7441 -5.7441 1.2479 1.2479 3.6391 3.6391 4.5027 4.5027 7.6149 7.6149 8.9815 8.9815 12.6353 12.6353 13.7208 13.7208 k = 0.3070-0.1773 0.2507 ( 1355 PWs) bands (ev): -5.6656 -5.6656 1.0986 1.0986 3.5733 3.5733 4.4391 4.4391 7.5864 7.5864 8.9211 8.9211 12.7564 12.7564 13.8465 13.8465 k = 0.3158-0.1823 0.2578 ( 1355 PWs) bands (ev): -5.5858 -5.5858 0.9506 0.9506 3.5102 3.5102 4.3779 4.3779 7.5605 7.5605 8.8579 8.8579 12.8766 12.8766 13.9709 13.9709 k = 0.3246-0.1874 0.2650 ( 1347 PWs) bands (ev): -5.5049 -5.5049 0.8044 0.8044 3.4499 3.4499 4.3193 4.3193 7.5372 7.5372 8.7927 8.7927 12.9957 12.9957 14.0937 14.0937 k = 0.3333-0.1925 0.2722 ( 1347 PWs) bands (ev): -5.4231 -5.4231 0.6600 0.6600 3.3923 3.3923 4.2633 4.2633 7.5165 7.5165 8.7260 8.7260 13.1135 13.1135 14.2146 14.2146 k = 0.3421-0.1975 0.2793 ( 1351 PWs) bands (ev): -5.3405 -5.3405 0.5177 0.5177 3.3375 3.3375 4.2099 4.2099 7.4985 7.4985 8.6585 8.6585 13.2296 13.2296 14.3310 14.3310 k = 0.3509-0.2026 0.2865 ( 1363 PWs) bands (ev): -5.2575 -5.2575 0.3778 0.3778 3.2856 3.2856 4.1592 4.1592 7.4832 7.4832 8.5906 8.5906 13.3438 13.3438 14.4149 14.4149 k = 0.3596-0.2076 0.2937 ( 1359 PWs) bands (ev): -5.1742 -5.1742 0.2407 0.2407 3.2365 3.2365 4.1112 4.1112 7.4706 7.4706 8.5229 8.5229 13.4556 13.4556 14.4851 14.4851 k = 0.3684-0.2127 0.3008 ( 1359 PWs) bands (ev): -5.0909 -5.0909 0.1067 0.1067 3.1902 3.1902 4.0660 4.0660 7.4608 7.4608 8.4558 8.4558 13.5648 13.5648 14.5541 14.5541 k = 0.3772-0.2178 0.3080 ( 1359 PWs) bands (ev): -5.0081 -5.0081 -0.0239 -0.0239 3.1469 3.1469 4.0235 4.0235 7.4537 7.4537 8.3895 8.3895 13.6709 13.6709 14.6218 14.6218 k = 0.3860-0.2228 0.3151 ( 1359 PWs) bands (ev): -4.9260 -4.9260 -0.1506 -0.1506 3.1065 3.1065 3.9839 3.9839 7.4494 7.4494 8.3244 8.3244 13.7736 13.7736 14.6877 14.6877 k = 0.3947-0.2279 0.3223 ( 1359 PWs) bands (ev): -4.8452 -4.8452 -0.2729 -0.2729 3.0690 3.0690 3.9470 3.9470 7.4479 7.4479 8.2608 8.2608 13.8722 13.8722 14.7513 14.7513 k = 0.4035-0.2330 0.3295 ( 1351 PWs) bands (ev): -4.7661 -4.7661 -0.3902 -0.3902 3.0344 3.0344 3.9131 3.9131 7.4492 7.4492 8.1989 8.1989 13.9664 13.9664 14.8119 14.8119 k = 0.4123-0.2380 0.3366 ( 1351 PWs) bands (ev): -4.6896 -4.6896 -0.5018 -0.5018 3.0028 3.0028 3.8820 3.8820 7.4532 7.4532 8.1389 8.1389 14.0555 14.0555 14.8691 14.8691 k = 0.4211-0.2431 0.3438 ( 1351 PWs) bands (ev): -4.6161 -4.6161 -0.6071 -0.6071 2.9742 2.9742 3.8539 3.8539 7.4600 7.4600 8.0810 8.0810 14.1390 14.1390 14.9223 14.9223 k = 0.4298-0.2482 0.3510 ( 1347 PWs) bands (ev): -4.5464 -4.5464 -0.7053 -0.7053 2.9485 2.9485 3.8286 3.8286 7.4695 7.4695 8.0254 8.0254 14.2162 14.2162 14.9711 14.9711 k = 0.4386-0.2532 0.3581 ( 1355 PWs) bands (ev): -4.4817 -4.4817 -0.7954 -0.7954 2.9259 2.9259 3.8063 3.8063 7.4817 7.4817 7.9723 7.9723 14.2866 14.2866 15.0150 15.0151 k = 0.4474-0.2583 0.3653 ( 1347 PWs) bands (ev): -4.4225 -4.4225 -0.8765 -0.8765 2.9062 2.9062 3.7869 3.7869 7.4966 7.4966 7.9218 7.9218 14.3494 14.3494 15.0538 15.0538 k = 0.4561-0.2634 0.3724 ( 1350 PWs) bands (ev): -4.3700 -4.3700 -0.9476 -0.9476 2.8896 2.8896 3.7705 3.7705 7.5139 7.5139 7.8742 7.8742 14.4039 14.4039 15.0870 15.0870 k = 0.4649-0.2684 0.3796 ( 1358 PWs) bands (ev): -4.3254 -4.3254 -1.0076 -1.0076 2.8760 2.8760 3.7571 3.7571 7.5334 7.5334 7.8297 7.8297 14.4496 14.4496 15.1145 15.1145 k = 0.4737-0.2735 0.3868 ( 1358 PWs) bands (ev): -4.2893 -4.2893 -1.0555 -1.0555 2.8654 2.8654 3.7466 3.7466 7.5545 7.5545 7.7892 7.7892 14.4859 14.4859 15.1360 15.1360 k = 0.4825-0.2785 0.3939 ( 1362 PWs) bands (ev): -4.2629 -4.2629 -1.0904 -1.0904 2.8578 2.8578 3.7392 3.7392 7.5761 7.5761 7.7537 7.7537 14.5122 14.5122 15.1514 15.1514 k = 0.4912-0.2836 0.4011 ( 1362 PWs) bands (ev): -4.2467 -4.2467 -1.1117 -1.1117 2.8532 2.8532 3.7347 3.7347 7.5947 7.5947 7.7267 7.7267 14.5281 14.5281 15.1607 15.1607 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -4.2413 -4.2413 -1.1188 -1.1188 2.8517 2.8517 3.7332 3.7332 7.6029 7.6029 7.7157 7.7157 14.5335 14.5335 15.1638 15.1638 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -4.2413 -4.2413 -1.1188 -1.1188 2.8517 2.8517 3.7332 3.7332 7.6029 7.6029 7.7157 7.7157 14.5335 14.5335 15.1638 15.1638 k = 0.5000-0.2787 0.4153 ( 1362 PWs) bands (ev): -4.2412 -4.2412 -1.1275 -1.1087 2.8224 2.8756 3.7289 3.7307 7.5910 7.6258 7.7213 7.7228 14.5010 14.5546 15.1604 15.1633 k = 0.5000-0.2688 0.4223 ( 1362 PWs) bands (ev): -4.2407 -4.2407 -1.1347 -1.0972 2.7877 2.8939 3.7179 3.7215 7.5905 7.6589 7.7400 7.7423 14.4578 14.5641 15.1517 15.1597 k = 0.5000-0.2588 0.4294 ( 1358 PWs) bands (ev): -4.2400 -4.2399 -1.1405 -1.0842 2.7480 2.9066 3.7002 3.7060 7.6015 7.7013 7.7722 7.7739 14.4043 14.5616 15.1359 15.1533 k = 0.5000-0.2489 0.4364 ( 1358 PWs) bands (ev): -4.2390 -4.2389 -1.1450 -1.0697 2.7036 2.9140 3.6763 3.6846 7.6241 7.7517 7.8170 7.8183 14.3410 14.5472 15.1116 15.1429 k = 0.5000-0.2389 0.4434 ( 1358 PWs) bands (ev): -4.2377 -4.2377 -1.1482 -1.0538 2.6549 2.9162 3.6465 3.6580 7.6581 7.8093 7.8711 7.8779 14.2682 14.5212 15.0772 15.1265 k = 0.5000-0.2289 0.4505 ( 1354 PWs) bands (ev): -4.2362 -4.2361 -1.1500 -1.0366 2.6025 2.9136 3.6114 3.6266 7.7032 7.8741 7.9355 7.9501 14.1862 14.4842 15.0320 15.1007 k = 0.5000-0.2190 0.4575 ( 1350 PWs) bands (ev): -4.2344 -4.2343 -1.1507 -1.0179 2.5467 2.9067 3.5717 3.5913 7.7590 7.9463 8.0097 8.0333 14.0954 14.4369 14.9762 15.0614 k = 0.5000-0.2090 0.4646 ( 1350 PWs) bands (ev): -4.2324 -4.2323 -1.1502 -0.9980 2.4881 2.8958 3.5281 3.5527 7.8249 8.0260 8.0927 8.1262 13.9960 14.3799 14.9102 15.0053 k = 0.5000-0.1991 0.4716 ( 1346 PWs) bands (ev): -4.2302 -4.2301 -1.1487 -0.9768 2.4272 2.8816 3.4811 3.5116 7.9006 8.1129 8.1838 8.2275 13.8883 14.3139 14.8350 14.9310 k = 0.5000-0.1891 0.4786 ( 1346 PWs) bands (ev): -4.2279 -4.2278 -1.1462 -0.9545 2.3645 2.8646 3.4315 3.4685 7.9853 8.2067 8.2823 8.3364 13.7728 14.2395 14.7515 14.8396 k = 0.5000-0.1792 0.4857 ( 1358 PWs) bands (ev): -4.2255 -4.2254 -1.1428 -0.9311 2.3006 2.8454 3.3800 3.4243 8.0785 8.3068 8.3874 8.4520 13.6499 14.1573 14.6608 14.7335 k = 0.5000-0.1692 0.4927 ( 1358 PWs) bands (ev): -4.2229 -4.2228 -1.1387 -0.9068 2.2360 2.8245 3.3271 3.3794 8.1796 8.4125 8.4983 8.5737 13.5200 14.0676 14.5639 14.6153 k = 0.5000-0.1593 0.4998 ( 1358 PWs) bands (ev): -4.2203 -4.2201 -1.1338 -0.8817 2.1712 2.8025 3.2736 3.3344 8.2880 8.5231 8.6142 8.7009 13.3838 13.9709 14.4615 14.4874 k = 0.5000-0.1493 0.5068 ( 1358 PWs) bands (ev): -4.2175 -4.2174 -1.1284 -0.8560 2.1066 2.7799 3.2199 3.2900 8.4030 8.6381 8.7344 8.8328 13.2417 13.8677 14.3519 14.3545 k = 0.5000-0.1394 0.5138 ( 1358 PWs) bands (ev): -4.2148 -4.2147 -1.1225 -0.8298 2.0428 2.7572 3.1666 3.2465 8.5241 8.7565 8.8581 8.9690 13.0943 13.7583 14.2109 14.2438 k = 0.5000-0.1294 0.5209 ( 1358 PWs) bands (ev): -4.2120 -4.2119 -1.1162 -0.8033 1.9802 2.7349 3.1141 3.2044 8.6506 8.8776 8.9844 9.1088 12.9422 13.6432 14.0661 14.1299 k = 0.5000-0.1195 0.5279 ( 1354 PWs) bands (ev): -4.2093 -4.2092 -1.1098 -0.7768 1.9194 2.7134 3.0629 3.1640 8.7819 9.0004 9.1127 9.2517 12.7860 13.5226 13.9194 14.0140 k = 0.5000-0.1095 0.5349 ( 1354 PWs) bands (ev): -4.2067 -4.2065 -1.1032 -0.7506 1.8608 2.6932 3.0134 3.1257 8.9172 9.1241 9.2421 9.3969 12.6263 13.3972 13.7725 13.8968 k = 0.5000-0.0995 0.5420 ( 1364 PWs) bands (ev): -4.2042 -4.2041 -1.0967 -0.7249 1.8049 2.6745 2.9660 3.0898 9.0558 9.2475 9.3717 9.5436 12.4635 13.2673 13.6273 13.7796 k = 0.5000-0.0896 0.5490 ( 1360 PWs) bands (ev): -4.2018 -4.2017 -1.0904 -0.7000 1.7522 2.6578 2.9210 3.0566 9.1966 9.3694 9.5011 9.6912 12.2982 13.1337 13.4855 13.6636 k = 0.5000-0.0796 0.5561 ( 1358 PWs) bands (ev): -4.1995 -4.1994 -1.0843 -0.6763 1.7032 2.6433 2.8787 3.0263 9.3382 9.4883 9.6295 9.8384 12.1311 12.9974 13.3493 13.5503 k = 0.5000-0.0697 0.5631 ( 1354 PWs) bands (ev): -4.1975 -4.1973 -1.0786 -0.6541 1.6584 2.6312 2.8394 2.9991 9.4786 9.6025 9.7570 9.9840 11.9625 12.8599 13.2205 13.4415 k = 0.5000-0.0597 0.5701 ( 1358 PWs) bands (ev): -4.1957 -4.1956 -1.0735 -0.6339 1.6184 2.6217 2.8034 2.9752 9.6143 9.7100 9.8844 10.1260 11.7930 12.7234 13.1011 13.3393 k = 0.5000-0.0498 0.5772 ( 1362 PWs) bands (ev): -4.1942 -4.1940 -1.0689 -0.6160 1.5835 2.6150 2.7710 2.9547 9.7407 9.8083 10.0136 10.2619 11.6232 12.5910 12.9934 13.2459 k = 0.5000-0.0398 0.5842 ( 1358 PWs) bands (ev): -4.1928 -4.1927 -1.0651 -0.6007 1.5542 2.6110 2.7425 2.9378 9.8517 9.8949 10.1474 10.3880 11.4539 12.4668 12.8998 13.1639 k = 0.5000-0.0299 0.5913 ( 1358 PWs) bands (ev): -4.1918 -4.1916 -1.0620 -0.5884 1.5310 2.6095 2.7184 2.9246 9.9419 9.9667 10.2876 10.4992 11.2862 12.3565 12.8229 13.0962 k = 0.5000-0.0199 0.5983 ( 1354 PWs) bands (ev): -4.1910 -4.1908 -1.0597 -0.5794 1.5142 2.6100 2.6995 2.9151 10.0079 10.0208 10.4329 10.5884 11.1221 12.2676 12.7654 13.0454 k = 0.5000-0.0100 0.6053 ( 1348 PWs) bands (ev): -4.1904 -4.1903 -1.0584 -0.5739 1.5040 2.6115 2.6869 2.9093 10.0480 10.0545 10.5750 10.6472 10.9693 12.2089 12.7297 13.0138 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -4.1903 -4.1902 -1.0579 -0.5721 1.5005 2.6123 2.6824 2.9074 10.0614 10.0659 10.6610 10.6678 10.8798 12.1882 12.7176 13.0031 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -4.1903 -4.1902 -1.0579 -0.5721 1.5005 2.6123 2.6824 2.9074 10.0614 10.0659 10.6610 10.6678 10.8798 12.1882 12.7176 13.0031 k = 0.4940 0.0103 0.6124 ( 1348 PWs) bands (ev): -4.1913 -4.1912 -1.0574 -0.5722 1.5013 2.6132 2.6801 2.9166 10.0486 10.0582 10.6163 10.6602 10.9294 12.1956 12.7248 13.0158 k = 0.4881 0.0206 0.6124 ( 1358 PWs) bands (ev): -4.1943 -4.1942 -1.0560 -0.5727 1.5031 2.6106 2.6802 2.9427 10.0037 10.0335 10.5413 10.6399 11.0268 12.2188 12.7473 13.0495 k = 0.4821 0.0309 0.6124 ( 1358 PWs) bands (ev): -4.1989 -4.1987 -1.0540 -0.5738 1.5053 2.5967 2.6941 2.9821 9.9225 9.9876 10.4791 10.6130 11.1370 12.2586 12.7853 13.0988 k = 0.4762 0.0412 0.6124 ( 1364 PWs) bands (ev): -4.2048 -4.2045 -1.0517 -0.5756 1.5072 2.5738 2.7229 3.0314 9.8087 9.9182 10.4364 10.5861 11.2521 12.3135 12.8370 13.1596 k = 0.4702 0.0515 0.6124 ( 1360 PWs) bands (ev): -4.2117 -4.2112 -1.0492 -0.5780 1.5084 2.5472 2.7633 3.0883 9.6726 9.8256 10.4081 10.5634 11.3698 12.3816 12.9004 13.2292 k = 0.4643 0.0619 0.6124 ( 1358 PWs) bands (ev): -4.2194 -4.2187 -1.0468 -0.5812 1.5085 2.5194 2.8132 3.1510 9.5235 9.7133 10.3883 10.5462 11.4890 12.4602 12.9732 13.3053 k = 0.4583 0.0722 0.6124 ( 1364 PWs) bands (ev): -4.2278 -4.2268 -1.0446 -0.5849 1.5075 2.4919 2.8716 3.2181 9.3682 9.5860 10.3732 10.5335 11.6092 12.5470 13.0535 13.3861 k = 0.4524 0.0825 0.6124 ( 1362 PWs) bands (ev): -4.2364 -4.2351 -1.0425 -0.5891 1.5053 2.4653 2.9374 3.2885 9.2112 9.4483 10.3607 10.5242 11.7298 12.6398 13.1394 13.4700 k = 0.4464 0.0928 0.6124 ( 1362 PWs) bands (ev): -4.2451 -4.2436 -1.0408 -0.5937 1.5021 2.4400 3.0094 3.3611 9.0556 9.3046 10.3498 10.5169 11.8503 12.7368 13.2295 13.5557 k = 0.4405 0.1031 0.6124 ( 1363 PWs) bands (ev): -4.2538 -4.2521 -1.0393 -0.5986 1.4980 2.4163 3.0864 3.4344 8.9039 9.1583 10.3399 10.5110 11.9703 12.8360 13.3223 13.6419 k = 0.4345 0.1134 0.6124 ( 1363 PWs) bands (ev): -4.2622 -4.2603 -1.0382 -0.6036 1.4934 2.3942 3.1670 3.5074 8.7582 9.0122 10.3309 10.5060 12.0891 12.9359 13.4169 13.7272 k = 0.4286 0.1237 0.6124 ( 1357 PWs) bands (ev): -4.2702 -4.2681 -1.0373 -0.6085 1.4884 2.3741 3.2499 3.5785 8.6205 8.8689 10.3227 10.5015 12.2061 13.0346 13.5123 13.8103 k = 0.4226 0.1340 0.6124 ( 1361 PWs) bands (ev): -4.2778 -4.2755 -1.0367 -0.6133 1.4833 2.3559 3.3333 3.6463 8.4927 8.7304 10.3151 10.4975 12.3204 13.1301 13.6081 13.8902 k = 0.4167 0.1443 0.6124 ( 1357 PWs) bands (ev): -4.2846 -4.2822 -1.0363 -0.6178 1.4783 2.3397 3.4157 3.7091 8.3766 8.5989 10.3083 10.4938 12.4310 13.2201 13.7038 13.9655 k = 0.4107 0.1546 0.6124 ( 1360 PWs) bands (ev): -4.2908 -4.2883 -1.0360 -0.6219 1.4736 2.3256 3.4953 3.7655 8.2742 8.4763 10.3023 10.4906 12.5363 13.3021 13.7996 14.0352 k = 0.4048 0.1650 0.6124 ( 1358 PWs) bands (ev): -4.2962 -4.2935 -1.0359 -0.6256 1.4693 2.3136 3.5699 3.8138 8.1872 8.3647 10.2971 10.4877 12.6346 13.3736 13.8952 14.0983 k = 0.3988 0.1753 0.6124 ( 1358 PWs) bands (ev): -4.3006 -4.2979 -1.0358 -0.6287 1.4656 2.3037 3.6376 3.8527 8.1174 8.2658 10.2927 10.4853 12.7233 13.4321 13.9906 14.1541 k = 0.3929 0.1856 0.6124 ( 1354 PWs) bands (ev): -4.3041 -4.3013 -1.0358 -0.6312 1.4627 2.2960 3.6957 3.8815 8.0662 8.1818 10.2893 10.4834 12.7991 13.4762 14.0843 14.2020 k = 0.3869 0.1959 0.6124 ( 1354 PWs) bands (ev): -4.3067 -4.3038 -1.0359 -0.6330 1.4605 2.2905 3.7415 3.9001 8.0347 8.1143 10.2869 10.4820 12.8581 13.5059 14.1724 14.2419 k = 0.3810 0.2062 0.6124 ( 1350 PWs) bands (ev): -4.3082 -4.3053 -1.0359 -0.6341 1.4591 2.2872 3.7715 3.9097 8.0234 8.0652 10.2854 10.4812 12.8959 13.5224 14.2437 14.2726 k = 0.3750 0.2165 0.6124 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.3750 0.2165 0.6124 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.3689 0.2130 0.6023 ( 1350 PWs) bands (ev): -4.3290 -4.3255 -1.0153 -0.5979 1.4121 2.2544 3.8261 3.9552 8.0628 8.0752 10.4475 10.6196 12.8179 13.4412 14.2143 14.2812 k = 0.3627 0.2094 0.5923 ( 1350 PWs) bands (ev): -4.3526 -4.3483 -0.9921 -0.5603 1.3735 2.2292 3.8725 4.0002 8.0985 8.1110 10.6002 10.7447 12.7275 13.3516 14.1315 14.2568 k = 0.3566 0.2059 0.5823 ( 1350 PWs) bands (ev): -4.3795 -4.3746 -0.9661 -0.5214 1.3433 2.2106 3.9209 4.0474 8.1351 8.1473 10.7407 10.8546 12.6377 13.2593 14.0299 14.2387 k = 0.3504 0.2023 0.5722 ( 1350 PWs) bands (ev): -4.4099 -4.4042 -0.9370 -0.4811 1.3216 2.1988 3.9714 4.0968 8.1724 8.1840 10.8669 10.9482 12.5483 13.1646 13.9215 14.1389 k = 0.3443 0.1988 0.5622 ( 1354 PWs) bands (ev): -4.4439 -4.4375 -0.9046 -0.4393 1.3086 2.1939 4.0237 4.1483 8.2103 8.2210 10.9772 11.0249 12.4589 13.0680 13.8104 14.0241 k = 0.3381 0.1952 0.5521 ( 1360 PWs) bands (ev): -4.4816 -4.4745 -0.8686 -0.3955 1.3042 2.1958 4.0778 4.2016 8.2486 8.2580 11.0704 11.0850 12.3695 12.9701 13.6979 13.9070 k = 0.3320 0.1917 0.5421 ( 1360 PWs) bands (ev): -4.5229 -4.5150 -0.8288 -0.3497 1.3082 2.2046 4.1335 4.2568 8.2871 8.2947 11.1295 11.1464 12.2796 12.8713 13.5847 13.7886 k = 0.3258 0.1881 0.5321 ( 1356 PWs) bands (ev): -4.5676 -4.5590 -0.7849 -0.3015 1.3206 2.2201 4.1907 4.3137 8.3256 8.3311 11.1596 11.2056 12.1890 12.7721 13.4713 13.6695 k = 0.3197 0.1846 0.5220 ( 1344 PWs) bands (ev): -4.6157 -4.6065 -0.7369 -0.2505 1.3409 2.2422 4.2494 4.3721 8.3638 8.3667 11.1772 11.2496 12.0975 12.6730 13.3579 13.5502 k = 0.3135 0.1810 0.5120 ( 1348 PWs) bands (ev): -4.6673 -4.6575 -0.6846 -0.1966 1.3689 2.2707 4.3094 4.4321 8.4012 8.4016 11.1841 11.2802 12.0049 12.5742 13.2448 13.4307 k = 0.3074 0.1775 0.5019 ( 1344 PWs) bands (ev): -4.7218 -4.7116 -0.6278 -0.1393 1.4041 2.3054 4.3706 4.4934 8.4345 8.4386 11.1823 11.2999 11.9113 12.4763 13.1322 13.3116 k = 0.3012 0.1739 0.4919 ( 1344 PWs) bands (ev): -4.7794 -4.7688 -0.5666 -0.0785 1.4462 2.3461 4.4329 4.5560 8.4661 8.4745 11.1735 11.3111 11.8167 12.3795 13.0204 13.1928 k = 0.2951 0.1704 0.4819 ( 1346 PWs) bands (ev): -4.8395 -4.8287 -0.5008 -0.0139 1.4948 2.3926 4.4961 4.6197 8.4957 8.5090 11.1591 11.3161 11.7212 12.2843 12.9096 13.0747 k = 0.2889 0.1668 0.4718 ( 1346 PWs) bands (ev): -4.9021 -4.8911 -0.4305 0.0546 1.5494 2.4446 4.5603 4.6845 8.5231 8.5419 11.1406 11.3168 11.6251 12.1911 12.7998 12.9574 k = 0.2828 0.1633 0.4618 ( 1346 PWs) bands (ev): -4.9668 -4.9558 -0.3556 0.1272 1.6097 2.5019 4.6251 4.7502 8.5478 8.5728 11.1190 11.3147 11.5290 12.1003 12.6912 12.8411 k = 0.2766 0.1597 0.4518 ( 1360 PWs) bands (ev): -5.0336 -5.0225 -0.2762 0.2041 1.6753 2.5644 4.6907 4.8168 8.5696 8.6013 11.0949 11.3096 11.4349 12.0125 12.5840 12.7259 k = 0.2705 0.1562 0.4417 ( 1360 PWs) bands (ev): -5.1018 -5.0908 -0.1923 0.2853 1.7458 2.6318 4.7567 4.8840 8.5882 8.6271 11.0690 11.2899 11.3558 11.9284 12.4783 12.6120 k = 0.2643 0.1526 0.4317 ( 1356 PWs) bands (ev): -5.1713 -5.1605 -0.1039 0.3708 1.8209 2.7038 4.8231 4.9518 8.6033 8.6500 11.0413 11.2180 11.3305 11.8486 12.3742 12.4994 k = 0.2582 0.1491 0.4216 ( 1356 PWs) bands (ev): -5.2419 -5.2314 -0.0112 0.4607 1.9004 2.7804 4.8898 5.0200 8.6148 8.6697 11.0117 11.1244 11.3295 11.7740 12.2718 12.3884 k = 0.2520 0.1455 0.4116 ( 1360 PWs) bands (ev): -5.3133 -5.3032 0.0858 0.5550 1.9839 2.8612 4.9567 5.0886 8.6225 8.6859 10.9799 11.0278 11.3348 11.7057 12.1711 12.2789 k = 0.2459 0.1420 0.4016 ( 1360 PWs) bands (ev): -5.3853 -5.3755 0.1871 0.6535 2.0712 2.9462 5.0235 5.1573 8.6263 8.6984 10.9307 10.9452 11.3445 11.6445 12.0722 12.1713 k = 0.2398 0.1384 0.3915 ( 1356 PWs) bands (ev): -5.4576 -5.4482 0.2924 0.7563 2.1621 3.0350 5.0902 5.2261 8.6262 8.7073 10.8339 10.9069 11.3582 11.5914 11.9752 12.0655 k = 0.2336 0.1349 0.3815 ( 1356 PWs) bands (ev): -5.5300 -5.5210 0.4019 0.8633 2.2563 3.1276 5.1566 5.2948 8.6223 8.7122 10.7376 10.8644 11.3756 11.5470 11.8802 11.9617 k = 0.2275 0.1313 0.3714 ( 1356 PWs) bands (ev): -5.6023 -5.5938 0.5152 0.9744 2.3536 3.2238 5.2227 5.3633 8.6147 8.7134 10.6422 10.8173 11.3965 11.5114 11.7873 11.8602 k = 0.2213 0.1278 0.3614 ( 1348 PWs) bands (ev): -5.6742 -5.6662 0.6325 1.0895 2.4538 3.3233 5.2882 5.4315 8.6035 8.7109 10.5477 10.7658 11.4204 11.4840 11.6964 11.7615 k = 0.2152 0.1242 0.3514 ( 1358 PWs) bands (ev): -5.7459 -5.7384 0.7535 1.2085 2.5569 3.4261 5.3531 5.4992 8.5890 8.7048 10.4545 10.7102 11.4469 11.4629 11.6077 11.6665 k = 0.2090 0.1207 0.3413 ( 1356 PWs) bands (ev): -5.8167 -5.8097 0.8782 1.3314 2.6625 3.5319 5.4171 5.5664 8.5713 8.6952 10.3626 10.6512 11.4436 11.4748 11.5216 11.5786 k = 0.2029 0.1171 0.3313 ( 1362 PWs) bands (ev): -5.8868 -5.8803 1.0064 1.4579 2.7706 3.6406 5.4802 5.6328 8.5508 8.6825 10.2722 10.5896 11.4120 11.4359 11.5058 11.5107 k = 0.1967 0.1136 0.3212 ( 1362 PWs) bands (ev): -5.9558 -5.9498 1.1381 1.5879 2.8809 3.7521 5.5423 5.6983 8.5276 8.6669 10.1833 10.5262 11.3486 11.3541 11.4806 11.5355 k = 0.1906 0.1100 0.3112 ( 1358 PWs) bands (ev): -6.0238 -6.0182 1.2732 1.7214 2.9934 3.8661 5.6032 5.7629 8.5022 8.6487 10.0962 10.4615 11.2682 11.2743 11.4720 11.5649 k = 0.1844 0.1065 0.3012 ( 1358 PWs) bands (ev): -6.0905 -6.0854 1.4116 1.8582 3.1079 3.9825 5.6627 5.8264 8.4747 8.6281 10.0109 10.3962 11.1847 11.1968 11.4697 11.5928 k = 0.1783 0.1029 0.2911 ( 1358 PWs) bands (ev): -6.1558 -6.1512 1.5531 1.9981 3.2242 4.1010 5.7209 5.8887 8.4454 8.6055 9.9276 10.3307 11.1018 11.1217 11.4684 11.6179 k = 0.1721 0.0994 0.2811 ( 1358 PWs) bands (ev): -6.2197 -6.2155 1.6976 2.1410 3.3422 4.2216 5.7776 5.9498 8.4145 8.5810 9.8464 10.2652 11.0207 11.0490 11.4657 11.6391 k = 0.1660 0.0958 0.2711 ( 1354 PWs) bands (ev): -6.2820 -6.2782 1.8451 2.2867 3.4617 4.3439 5.8326 6.0094 8.3823 8.5551 9.7673 10.2000 10.9419 10.9788 11.4597 11.6552 k = 0.1598 0.0923 0.2610 ( 1362 PWs) bands (ev): -6.3428 -6.3394 1.9953 2.4350 3.5827 4.4678 5.8860 6.0676 8.3489 8.5278 9.6904 10.1351 10.8656 10.9111 11.4492 11.6650 k = 0.1537 0.0887 0.2510 ( 1362 PWs) bands (ev): -6.4017 -6.3986 2.1482 2.5857 3.7049 4.5929 5.9376 6.1243 8.3145 8.4994 9.6159 10.0706 10.7921 10.8460 11.4328 11.6673 k = 0.1475 0.0852 0.2409 ( 1366 PWs) bands (ev): -6.4588 -6.4561 2.3037 2.7386 3.8283 4.7191 5.9875 6.1793 8.2792 8.4700 9.5439 10.0064 10.7217 10.7834 11.4096 11.6610 k = 0.1414 0.0816 0.2309 ( 1365 PWs) bands (ev): -6.5140 -6.5116 2.4615 2.8935 3.9526 4.8460 6.0355 6.2327 8.2432 8.4399 9.4744 9.9425 10.6544 10.7235 11.3790 11.6453 k = 0.1352 0.0781 0.2209 ( 1365 PWs) bands (ev): -6.5673 -6.5652 2.6216 3.0500 4.0779 4.9732 6.0816 6.2844 8.2065 8.4090 9.4075 9.8784 10.5906 10.6663 11.3406 11.6195 k = 0.1291 0.0745 0.2108 ( 1365 PWs) bands (ev): -6.6185 -6.6167 2.7837 3.2078 4.2038 5.1004 6.1260 6.3344 8.1692 8.3776 9.3433 9.8141 10.5304 10.6119 11.2942 11.5831 k = 0.1230 0.0710 0.2008 ( 1365 PWs) bands (ev): -6.6677 -6.6661 2.9477 3.3667 4.3304 5.2270 6.1687 6.3826 8.1314 8.3454 9.2818 9.7493 10.4741 10.5602 11.2403 11.5360 k = 0.1168 0.0674 0.1907 ( 1369 PWs) bands (ev): -6.7147 -6.7134 3.1134 3.5261 4.4576 5.3525 6.2097 6.4290 8.0930 8.3126 9.2233 9.6834 10.4218 10.5114 11.1793 11.4786 k = 0.1107 0.0639 0.1807 ( 1371 PWs) bands (ev): -6.7596 -6.7584 3.2805 3.6857 4.5852 5.4764 6.2494 6.4737 8.0541 8.2790 9.1676 9.6163 10.3738 10.4655 11.1122 11.4113 k = 0.1045 0.0603 0.1707 ( 1367 PWs) bands (ev): -6.8022 -6.8012 3.4487 3.8448 4.7132 5.5977 6.2879 6.5167 8.0146 8.2445 9.1148 9.5475 10.3303 10.4225 11.0402 11.3350 k = 0.0984 0.0568 0.1606 ( 1367 PWs) bands (ev): -6.8426 -6.8418 3.6178 4.0029 4.8417 5.7155 6.3259 6.5579 7.9744 8.2086 9.0650 9.4769 10.2915 10.3825 10.9644 11.2508 k = 0.0922 0.0532 0.1506 ( 1367 PWs) bands (ev): -6.8807 -6.8800 3.7873 4.1591 4.9707 5.8286 6.3638 6.5974 7.9334 8.1711 9.0182 9.4043 10.2573 10.3456 10.8864 11.1601 k = 0.0861 0.0497 0.1405 ( 1359 PWs) bands (ev): -6.9164 -6.9159 3.9569 4.3127 5.1003 5.9356 6.4028 6.6353 7.8914 8.1313 8.9744 9.3298 10.2279 10.3118 10.8076 11.0644 k = 0.0799 0.0461 0.1305 ( 1359 PWs) bands (ev): -6.9498 -6.9494 4.1259 4.4625 5.2308 6.0345 6.4439 6.6714 7.8482 8.0886 8.9335 9.2537 10.2031 10.2811 10.7294 10.9654 k = 0.0738 0.0426 0.1205 ( 1361 PWs) bands (ev): -6.9809 -6.9805 4.2938 4.6077 5.3622 6.1235 6.4888 6.7060 7.8036 8.0421 8.8954 9.1767 10.1829 10.2535 10.6532 10.8647 k = 0.0676 0.0390 0.1104 ( 1373 PWs) bands (ev): -7.0097 -7.0094 4.4598 4.7469 5.4948 6.2009 6.5384 6.7389 7.7572 7.9907 8.8600 9.0998 10.1671 10.2292 10.5799 10.7643 k = 0.0615 0.0355 0.1004 ( 1373 PWs) bands (ev): -7.0359 -7.0357 4.6227 4.8791 5.6289 6.2666 6.5929 6.7702 7.7085 7.9331 8.8272 9.0245 10.1552 10.2081 10.5107 10.6661 k = 0.0553 0.0319 0.0904 ( 1377 PWs) bands (ev): -7.0597 -7.0596 4.7812 5.0031 5.7644 6.3222 6.6505 6.7999 7.6570 7.8683 8.7968 8.9524 10.1469 10.1902 10.4461 10.5720 k = 0.0492 0.0284 0.0803 ( 1383 PWs) bands (ev): -7.0811 -7.0810 4.9336 5.1178 5.9011 6.3709 6.7084 6.8277 7.6020 7.7950 8.7685 8.8853 10.1417 10.1754 10.3869 10.4839 k = 0.0430 0.0248 0.0703 ( 1375 PWs) bands (ev): -7.0999 -7.0998 5.0776 5.2224 6.0387 6.4167 6.7636 6.8537 7.5429 7.7124 8.7423 8.8248 10.1391 10.1637 10.3333 10.4037 k = 0.0369 0.0213 0.0602 ( 1375 PWs) bands (ev): -7.1163 -7.1162 5.2103 5.3161 6.1764 6.4639 6.8136 6.8776 7.4786 7.6205 8.7181 8.7722 10.1383 10.1549 10.2857 10.3329 k = 0.0307 0.0177 0.0502 ( 1371 PWs) bands (ev): -7.1301 -7.1301 5.3283 5.3982 6.3133 6.5164 6.8567 6.8992 7.4085 7.5196 8.6959 8.7282 10.1387 10.1487 10.2443 10.2727 k = 0.0246 0.0142 0.0402 ( 1371 PWs) bands (ev): -7.1415 -7.1415 5.4279 5.4680 6.4483 6.5781 6.8921 6.9180 7.3315 7.4111 8.6763 8.6931 10.1398 10.1447 10.2094 10.2239 k = 0.0184 0.0106 0.0301 ( 1363 PWs) bands (ev): -7.1503 -7.1503 5.5062 5.5247 6.5803 6.6516 6.9192 6.9335 7.2472 7.2969 8.6597 8.6668 10.1410 10.1426 10.1812 10.1868 k = 0.0123 0.0071 0.0201 ( 1363 PWs) bands (ev): -7.1566 -7.1566 5.5614 5.5672 6.7079 6.7382 6.9383 6.9452 7.1549 7.1793 8.6467 8.6489 10.1418 10.1418 10.1602 10.1612 k = 0.0061 0.0035 0.0100 ( 1363 PWs) bands (ev): -7.1604 -7.1604 5.5933 5.5941 6.8300 6.8370 6.9497 6.9523 7.0546 7.0614 8.6384 8.6386 10.1418 10.1422 10.1466 10.1469 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -7.1617 -7.1617 5.6035 5.6035 6.9378 6.9378 6.9541 6.9541 6.9541 6.9541 8.6354 8.6354 10.1421 10.1421 10.1421 10.1421 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -7.1617 -7.1617 5.6035 5.6035 6.9378 6.9378 6.9541 6.9541 6.9541 6.9541 8.6354 8.6354 10.1421 10.1421 10.1421 10.1421 k = 0.0100 0.0058 0.0041 ( 1363 PWs) bands (ev): -7.1604 -7.1604 5.5938 5.5938 6.8337 6.8337 6.9504 6.9530 7.0571 7.0571 8.6385 8.6385 10.1436 10.1436 10.1447 10.1455 k = 0.0200 0.0115 0.0082 ( 1363 PWs) bands (ev): -7.1566 -7.1566 5.5644 5.5644 6.7231 6.7231 6.9420 6.9471 7.1644 7.1644 8.6478 8.6478 10.1483 10.1483 10.1532 10.1549 k = 0.0300 0.0173 0.0122 ( 1363 PWs) bands (ev): -7.1504 -7.1504 5.5151 5.5151 6.6162 6.6162 6.9289 6.9365 7.2662 7.2662 8.6636 8.6636 10.1564 10.1564 10.1675 10.1702 k = 0.0400 0.0231 0.0163 ( 1369 PWs) bands (ev): -7.1416 -7.1416 5.4458 5.4458 6.5150 6.5150 6.9114 6.9214 7.3604 7.3604 8.6861 8.6861 10.1686 10.1686 10.1874 10.1910 k = 0.0500 0.0289 0.0204 ( 1375 PWs) bands (ev): -7.1304 -7.1304 5.3568 5.3568 6.4208 6.4208 6.8897 6.9020 7.4453 7.4453 8.7156 8.7156 10.1855 10.1855 10.2125 10.2172 k = 0.0600 0.0346 0.0245 ( 1375 PWs) bands (ev): -7.1166 -7.1166 5.2493 5.2493 6.3341 6.3341 6.8642 6.8787 7.5196 7.5196 8.7524 8.7524 10.2076 10.2076 10.2424 10.2483 k = 0.0700 0.0404 0.0286 ( 1375 PWs) bands (ev): -7.1004 -7.1004 5.1252 5.1252 6.2544 6.2544 6.8351 6.8516 7.5824 7.5824 8.7964 8.7964 10.2356 10.2356 10.2768 10.2839 k = 0.0800 0.0462 0.0327 ( 1375 PWs) bands (ev): -7.0816 -7.0816 4.9867 4.9867 6.1806 6.1806 6.8028 6.8212 7.6331 7.6331 8.8475 8.8475 10.2698 10.2698 10.3150 10.3235 k = 0.0900 0.0520 0.0367 ( 1375 PWs) bands (ev): -7.0605 -7.0605 4.8364 4.8364 6.1116 6.1116 6.7677 6.7879 7.6719 7.6719 8.9052 8.9052 10.3107 10.3107 10.3567 10.3666 k = 0.1000 0.0577 0.0408 ( 1375 PWs) bands (ev): -7.0369 -7.0369 4.6764 4.6764 6.0462 6.0462 6.7301 6.7519 7.6996 7.6996 8.9685 8.9685 10.3583 10.3583 10.4012 10.4126 k = 0.1100 0.0635 0.0449 ( 1372 PWs) bands (ev): -7.0108 -7.0108 4.5088 4.5088 5.9834 5.9834 6.6904 6.7136 7.7170 7.7170 9.0364 9.0364 10.4125 10.4125 10.4480 10.4611 k = 0.1200 0.0693 0.0490 ( 1366 PWs) bands (ev): -6.9824 -6.9824 4.3351 4.3351 5.9226 5.9226 6.6489 6.6734 7.7255 7.7255 9.1078 9.1078 10.4731 10.4731 10.4966 10.5114 k = 0.1300 0.0751 0.0531 ( 1366 PWs) bands (ev): -6.9516 -6.9516 4.1568 4.1568 5.8633 5.8633 6.6059 6.6316 7.7263 7.7263 9.1816 9.1816 10.5399 10.5399 10.5465 10.5629 k = 0.1400 0.0808 0.0572 ( 1366 PWs) bands (ev): -6.9185 -6.9185 3.9749 3.9749 5.8050 5.8050 6.5619 6.5886 7.7206 7.7206 9.2567 9.2567 10.5970 10.6124 10.6124 10.6152 k = 0.1500 0.0866 0.0612 ( 1360 PWs) bands (ev): -6.8830 -6.8830 3.7905 3.7905 5.7478 5.7478 6.5169 6.5445 7.7097 7.7097 9.3322 9.3322 10.6477 10.6676 10.6902 10.6902 k = 0.1600 0.0924 0.0653 ( 1366 PWs) bands (ev): -6.8453 -6.8453 3.6041 3.6041 5.6914 5.6914 6.4714 6.4997 7.6943 7.6943 9.4075 9.4075 10.6981 10.7196 10.7727 10.7727 k = 0.1700 0.0981 0.0694 ( 1369 PWs) bands (ev): -6.8054 -6.8054 3.4166 3.4166 5.6358 5.6358 6.4256 6.4544 7.6756 7.6756 9.4818 9.4818 10.7477 10.7708 10.8595 10.8595 k = 0.1800 0.1039 0.0735 ( 1363 PWs) bands (ev): -6.7632 -6.7632 3.2284 3.2284 5.5810 5.5810 6.3796 6.4089 7.6543 7.6543 9.5548 9.5548 10.7960 10.8206 10.9500 10.9500 k = 0.1900 0.1097 0.0776 ( 1363 PWs) bands (ev): -6.7189 -6.7189 3.0402 3.0402 5.5272 5.5272 6.3337 6.3634 7.6308 7.6308 9.6258 9.6258 10.8426 10.8685 11.0437 11.0437 k = 0.2000 0.1155 0.0816 ( 1369 PWs) bands (ev): -6.6726 -6.6726 2.8522 2.8522 5.4743 5.4743 6.2881 6.3179 7.6059 7.6059 9.6945 9.6945 10.8872 10.9143 11.1401 11.1401 k = 0.2100 0.1212 0.0857 ( 1369 PWs) bands (ev): -6.6242 -6.6242 2.6649 2.6649 5.4224 5.4224 6.2429 6.2729 7.5799 7.5799 9.7607 9.7607 10.9294 10.9574 11.2387 11.2387 k = 0.2200 0.1270 0.0898 ( 1369 PWs) bands (ev): -6.5739 -6.5739 2.4787 2.4787 5.3715 5.3715 6.1984 6.2283 7.5533 7.5533 9.8241 9.8241 10.9689 10.9977 11.3390 11.3390 k = 0.2300 0.1328 0.0939 ( 1357 PWs) bands (ev): -6.5215 -6.5215 2.2938 2.2938 5.3219 5.3219 6.1545 6.1843 7.5263 7.5263 9.8845 9.8845 11.0055 11.0348 11.4404 11.4404 k = 0.2400 0.1386 0.0980 ( 1363 PWs) bands (ev): -6.4675 -6.4675 2.1107 2.1107 5.2734 5.2734 6.1115 6.1411 7.4993 7.4993 9.9416 9.9416 11.0390 11.0686 11.5425 11.5425 k = 0.2500 0.1443 0.1021 ( 1363 PWs) bands (ev): -6.4118 -6.4118 1.9295 1.9295 5.2263 5.2263 6.0695 6.0987 7.4724 7.4724 9.9955 9.9955 11.0693 11.0989 11.6446 11.6446 k = 0.2600 0.1501 0.1061 ( 1363 PWs) bands (ev): -6.3545 -6.3545 1.7506 1.7506 5.1805 5.1805 6.0286 6.0574 7.4458 7.4458 10.0459 10.0459 11.0963 11.1258 11.7463 11.7463 k = 0.2700 0.1559 0.1102 ( 1357 PWs) bands (ev): -6.2956 -6.2956 1.5743 1.5743 5.1361 5.1361 5.9888 6.0171 7.4197 7.4197 10.0929 10.0929 11.1202 11.1492 11.8469 11.8469 k = 0.2800 0.1617 0.1143 ( 1357 PWs) bands (ev): -6.2355 -6.2355 1.4009 1.4009 5.0933 5.0933 5.9503 5.9780 7.3942 7.3942 10.1364 10.1364 11.1408 11.1692 11.9458 11.9458 k = 0.2900 0.1674 0.1184 ( 1357 PWs) bands (ev): -6.1742 -6.1742 1.2306 1.2306 5.0519 5.0519 5.9131 5.9401 7.3695 7.3695 10.1764 10.1764 11.1583 11.1858 12.0422 12.0422 k = 0.3000 0.1732 0.1225 ( 1359 PWs) bands (ev): -6.1118 -6.1118 1.0637 1.0637 5.0122 5.0122 5.8774 5.9036 7.3455 7.3455 10.2131 10.2131 11.1729 11.1994 12.1357 12.1357 k = 0.3100 0.1790 0.1266 ( 1359 PWs) bands (ev): -6.0487 -6.0487 0.9005 0.9005 4.9742 4.9742 5.8431 5.8684 7.3225 7.3225 10.2464 10.2464 11.1847 11.2101 12.2253 12.2253 k = 0.3200 0.1848 0.1306 ( 1359 PWs) bands (ev): -5.9850 -5.9850 0.7413 0.7413 4.9378 4.9378 5.8103 5.8347 7.3004 7.3004 10.2766 10.2766 11.1940 11.2181 12.3104 12.3104 k = 0.3300 0.1905 0.1347 ( 1362 PWs) bands (ev): -5.9209 -5.9209 0.5866 0.5866 4.9032 4.9032 5.7791 5.8026 7.2794 7.2794 10.3037 10.3037 11.2010 11.2237 12.3904 12.3904 k = 0.3400 0.1963 0.1388 ( 1359 PWs) bands (ev): -5.8566 -5.8566 0.4365 0.4365 4.8704 4.8704 5.7495 5.7719 7.2594 7.2594 10.3280 10.3280 11.2059 11.2273 12.4645 12.4645 k = 0.3500 0.2021 0.1429 ( 1359 PWs) bands (ev): -5.7926 -5.7926 0.2915 0.2915 4.8394 4.8394 5.7215 5.7429 7.2405 7.2405 10.3495 10.3495 11.2090 11.2289 12.5324 12.5324 k = 0.3600 0.2078 0.1470 ( 1359 PWs) bands (ev): -5.7292 -5.7292 0.1520 0.1520 4.8102 4.8102 5.6953 5.7155 7.2227 7.2227 10.3685 10.3685 11.2106 11.2290 12.5937 12.5937 k = 0.3700 0.2136 0.1511 ( 1365 PWs) bands (ev): -5.6667 -5.6667 0.0185 0.0185 4.7830 4.7830 5.6708 5.6898 7.2061 7.2061 10.3851 10.3851 11.2109 11.2278 12.6481 12.6481 k = 0.3800 0.2194 0.1551 ( 1368 PWs) bands (ev): -5.6055 -5.6055 -0.1087 -0.1087 4.7576 4.7576 5.6481 5.6658 7.1906 7.1906 10.3996 10.3996 11.2102 11.2256 12.6957 12.6957 k = 0.3900 0.2252 0.1592 ( 1362 PWs) bands (ev): -5.5461 -5.5461 -0.2289 -0.2289 4.7342 4.7342 5.6272 5.6436 7.1764 7.1764 10.4122 10.4122 11.2086 11.2226 12.7368 12.7368 k = 0.4000 0.2309 0.1633 ( 1362 PWs) bands (ev): -5.4890 -5.4890 -0.3417 -0.3417 4.7127 4.7127 5.6080 5.6231 7.1634 7.1634 10.4230 10.4230 11.2065 11.2191 12.7716 12.7716 k = 0.4100 0.2367 0.1674 ( 1362 PWs) bands (ev): -5.4347 -5.4347 -0.4465 -0.4465 4.6933 4.6933 5.5908 5.6044 7.1515 7.1515 10.4322 10.4322 11.2040 11.2152 12.8007 12.8007 k = 0.4200 0.2425 0.1715 ( 1362 PWs) bands (ev): -5.3839 -5.3839 -0.5426 -0.5426 4.6758 4.6758 5.5753 5.5876 7.1409 7.1409 10.4399 10.4399 11.2013 11.2111 12.8246 12.8246 k = 0.4300 0.2483 0.1755 ( 1374 PWs) bands (ev): -5.3371 -5.3371 -0.6295 -0.6295 4.6603 4.6603 5.5618 5.5726 7.1315 7.1315 10.4464 10.4464 11.1986 11.2071 12.8440 12.8440 k = 0.4400 0.2540 0.1796 ( 1368 PWs) bands (ev): -5.2948 -5.2948 -0.7064 -0.7064 4.6469 4.6469 5.5501 5.5594 7.1234 7.1234 10.4517 10.4517 11.1960 11.2032 12.8595 12.8595 k = 0.4500 0.2598 0.1837 ( 1365 PWs) bands (ev): -5.2577 -5.2577 -0.7729 -0.7729 4.6355 4.6355 5.5404 5.5481 7.1165 7.1165 10.4560 10.4560 11.1937 11.1996 12.8716 12.8716 k = 0.4600 0.2656 0.1878 ( 1365 PWs) bands (ev): -5.2265 -5.2265 -0.8282 -0.8282 4.6262 4.6262 5.5325 5.5388 7.1109 7.1109 10.4593 10.4593 11.1918 11.1965 12.8808 12.8808 k = 0.4700 0.2714 0.1919 ( 1365 PWs) bands (ev): -5.2016 -5.2016 -0.8719 -0.8719 4.6190 4.6190 5.5266 5.5313 7.1065 7.1065 10.4619 10.4619 11.1903 11.1938 12.8875 12.8875 k = 0.4800 0.2771 0.1960 ( 1365 PWs) bands (ev): -5.1835 -5.1835 -0.9034 -0.9034 4.6138 4.6138 5.5226 5.5257 7.1034 7.1034 10.4636 10.4636 11.1893 11.1917 12.8920 12.8920 k = 0.4900 0.2829 0.2000 ( 1371 PWs) bands (ev): -5.1725 -5.1725 -0.9225 -0.9225 4.6107 4.6107 5.5205 5.5220 7.1015 7.1015 10.4646 10.4646 11.1890 11.1901 12.8947 12.8947 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -5.1689 -5.1689 -0.9289 -0.9289 4.6096 4.6096 5.5203 5.5203 7.1008 7.1008 10.4650 10.4650 11.1892 11.1892 12.8955 12.8955 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -5.1689 -5.1689 -0.9289 -0.9289 4.6096 4.6096 5.5203 5.5203 7.1008 7.1008 10.4650 10.4650 11.1892 11.1892 12.8955 12.8955 k = 0.5036 0.2784 0.2100 ( 1367 PWs) bands (ev): -5.1680 -5.1674 -0.9329 -0.9233 4.5709 4.6332 5.5097 5.5104 7.0904 7.1394 10.4582 10.4719 11.1876 11.1879 12.8818 12.9201 k = 0.5071 0.2681 0.2158 ( 1365 PWs) bands (ev): -5.1651 -5.1638 -0.9353 -0.9162 4.5169 4.6417 5.4778 5.4836 7.1089 7.2024 10.4511 10.4788 11.1831 11.1848 12.8791 12.9546 k = 0.5107 0.2577 0.2216 ( 1365 PWs) bands (ev): -5.1601 -5.1580 -0.9363 -0.9074 4.4480 4.6350 5.4271 5.4445 7.1539 7.2848 10.4432 10.4850 11.1767 11.1821 12.8863 12.9972 k = 0.5143 0.2474 0.2275 ( 1365 PWs) bands (ev): -5.1529 -5.1502 -0.9359 -0.8971 4.3647 4.6129 5.3624 5.3976 7.2209 7.3814 10.4337 10.4895 11.1710 11.1826 12.9018 13.0454 k = 0.5179 0.2371 0.2333 ( 1365 PWs) bands (ev): -5.1436 -5.1402 -0.9341 -0.8852 4.2682 4.5749 5.2893 5.3462 7.3049 7.4873 10.4218 10.4908 11.1688 11.1890 12.9233 13.0965 k = 0.5214 0.2268 0.2391 ( 1363 PWs) bands (ev): -5.1322 -5.1281 -0.9311 -0.8717 4.1600 4.5205 5.2132 5.2927 7.4007 7.5986 10.4074 10.4879 11.1733 11.2034 12.9481 13.1479 k = 0.5250 0.2165 0.2449 ( 1363 PWs) bands (ev): -5.1187 -5.1140 -0.9269 -0.8567 4.0418 4.4500 5.1382 5.2382 7.5041 7.7119 10.3911 10.4802 11.1868 11.2274 12.9740 13.1970 k = 0.5286 0.2062 0.2508 ( 1363 PWs) bands (ev): -5.1031 -5.0979 -0.9216 -0.8402 3.9153 4.3643 5.0666 5.1833 7.6113 7.8242 10.3740 10.4681 11.2108 11.2615 12.9987 13.2415 k = 0.5321 0.1959 0.2566 ( 1361 PWs) bands (ev): -5.0855 -5.0797 -0.9154 -0.8222 3.7823 4.2654 4.9993 5.1282 7.7192 7.9329 10.3581 10.4534 11.2453 11.3058 13.0204 13.2800 k = 0.5357 0.1856 0.2624 ( 1361 PWs) bands (ev): -5.0659 -5.0596 -0.9085 -0.8029 3.6443 4.1559 4.9361 5.0730 7.8251 8.0356 10.3456 10.4382 11.2896 11.3597 13.0380 13.3111 k = 0.5393 0.1753 0.2683 ( 1359 PWs) bands (ev): -5.0444 -5.0376 -0.9009 -0.7824 3.5028 4.0386 4.8760 5.0176 7.9264 8.1300 10.3389 10.4252 11.3424 11.4222 13.0508 13.3344 k = 0.5429 0.1650 0.2741 ( 1361 PWs) bands (ev): -5.0211 -5.0137 -0.8929 -0.7608 3.3590 3.9159 4.8182 4.9621 8.0209 8.2140 10.3402 10.4171 11.4020 11.4926 13.0587 13.3499 k = 0.5464 0.1546 0.2799 ( 1359 PWs) bands (ev): -4.9958 -4.9881 -0.8847 -0.7381 3.2140 3.7901 4.7620 4.9066 8.1065 8.2859 10.3513 10.4162 11.4669 11.5697 13.0622 13.3582 k = 0.5500 0.1443 0.2858 ( 1363 PWs) bands (ev): -4.9689 -4.9608 -0.8765 -0.7147 3.0687 3.6631 4.7067 4.8509 8.1813 8.3444 10.3734 10.4246 11.5354 11.6528 13.0621 13.3603 k = 0.5536 0.1340 0.2916 ( 1361 PWs) bands (ev): -4.9403 -4.9319 -0.8686 -0.6906 2.9242 3.5363 4.6522 4.7953 8.2442 8.3890 10.4069 10.4435 11.6057 11.7409 13.0598 13.3573 k = 0.5571 0.1237 0.2974 ( 1365 PWs) bands (ev): -4.9102 -4.9015 -0.8611 -0.6662 2.7812 3.4110 4.5982 4.7399 8.2944 8.4198 10.4510 10.4734 11.6761 11.8331 13.0573 13.3509 k = 0.5607 0.1134 0.3033 ( 1367 PWs) bands (ev): -4.8785 -4.8696 -0.8544 -0.6417 2.6405 3.2884 4.5446 4.6847 8.3316 8.4378 10.5042 10.5138 11.7448 11.9286 13.0566 13.3426 k = 0.5643 0.1031 0.3091 ( 1368 PWs) bands (ev): -4.8455 -4.8365 -0.8489 -0.6175 2.5031 3.1693 4.4916 4.6301 8.3565 8.4442 10.5634 10.5643 11.8101 12.0265 13.0602 13.3345 k = 0.5679 0.0928 0.3149 ( 1368 PWs) bands (ev): -4.8114 -4.8022 -0.8447 -0.5939 2.3697 3.0548 4.4391 4.5760 8.3701 8.4408 10.6198 10.6285 11.8707 12.1261 13.0709 13.3285 k = 0.5714 0.0825 0.3208 ( 1362 PWs) bands (ev): -4.7760 -4.7669 -0.8422 -0.5713 2.2413 2.9457 4.3874 4.5227 8.3737 8.4293 10.6798 10.6935 11.9256 12.2265 13.0909 13.3270 k = 0.5750 0.0722 0.3266 ( 1360 PWs) bands (ev): -4.7399 -4.7308 -0.8417 -0.5503 2.1186 2.8427 4.3364 4.4703 8.3689 8.4114 10.7396 10.7560 11.9752 12.3270 13.1221 13.3322 k = 0.5786 0.0619 0.3324 ( 1360 PWs) bands (ev): -4.7031 -4.6941 -0.8434 -0.5314 2.0027 2.7465 4.2864 4.4190 8.3573 8.3886 10.7949 10.8129 12.0211 12.4269 13.1655 13.3462 k = 0.5821 0.0515 0.3383 ( 1356 PWs) bands (ev): -4.6658 -4.6570 -0.8476 -0.5153 1.8946 2.6578 4.2375 4.3689 8.3403 8.3623 10.8412 10.8612 12.0662 12.5258 13.2208 13.3712 k = 0.5857 0.0412 0.3441 ( 1350 PWs) bands (ev): -4.6283 -4.6198 -0.8545 -0.5026 1.7953 2.5772 4.1898 4.3202 8.3192 8.3335 10.8741 10.8982 12.1141 12.6233 13.2870 13.4083 k = 0.5893 0.0309 0.3499 ( 1350 PWs) bands (ev): -4.5909 -4.5827 -0.8640 -0.4938 1.7058 2.5051 4.1434 4.2731 8.2952 8.3031 10.8905 10.9221 12.1680 12.7193 13.3625 13.4584 k = 0.5929 0.0206 0.3558 ( 1351 PWs) bands (ev): -4.5539 -4.5462 -0.8763 -0.4896 1.6271 2.4420 4.0986 4.2276 8.2692 8.2720 10.8887 10.9316 12.2301 12.8141 13.4457 13.5211 k = 0.5964 0.0103 0.3616 ( 1353 PWs) bands (ev): -4.5177 -4.5104 -0.8910 -0.4904 1.5600 2.3882 4.0554 4.1839 8.2407 8.2421 10.8685 10.9265 12.3005 12.9076 13.5347 13.5956 k = 0.6000-0.0000 0.3674 ( 1350 PWs) bands (ev): -4.4825 -4.4758 -0.9080 -0.4964 1.5053 2.3437 4.0139 4.1421 8.2097 8.2144 10.8315 10.9072 12.3780 12.9997 13.6281 13.6803 k = 0.6036-0.0103 0.3733 ( 1352 PWs) bands (ev): -4.4490 -4.4428 -0.9268 -0.5074 1.4631 2.3088 3.9743 4.1024 8.1795 8.1867 10.7798 10.8746 12.4604 13.0899 13.7246 13.7734 k = 0.6071-0.0206 0.3791 ( 1354 PWs) bands (ev): -4.4175 -4.4120 -0.9468 -0.5231 1.4337 2.2832 3.9367 4.0648 8.1503 8.1595 10.7159 10.8301 12.5449 13.1772 13.8232 13.8730 k = 0.6107-0.0309 0.3849 ( 1351 PWs) bands (ev): -4.3885 -4.3835 -0.9672 -0.5426 1.4167 2.2669 3.9012 4.0295 8.1225 8.1331 10.6421 10.7752 12.6287 13.2606 13.9231 13.9766 k = 0.6143-0.0412 0.3908 ( 1348 PWs) bands (ev): -4.3625 -4.3582 -0.9873 -0.5648 1.4116 2.2594 3.8679 3.9965 8.0962 8.1077 10.5605 10.7114 12.7091 13.3386 14.0232 14.0807 k = 0.6179-0.0515 0.3966 ( 1352 PWs) bands (ev): -4.3403 -4.3365 -1.0061 -0.5886 1.4175 2.2604 3.8369 3.9659 8.0717 8.0837 10.4728 10.6402 12.7839 13.4100 14.1219 14.1785 k = 0.6214-0.0619 0.4024 ( 1352 PWs) bands (ev): -4.3222 -4.3189 -1.0226 -0.6123 1.4336 2.2695 3.8083 3.9379 8.0489 8.0611 10.3805 10.5630 12.8510 13.4734 14.2132 14.2547 k = 0.6250-0.0722 0.4082 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.6250-0.0722 0.4082 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.6190-0.0687 0.4180 ( 1350 PWs) bands (ev): -4.3082 -4.3053 -1.0359 -0.6341 1.4591 2.2872 3.7715 3.9097 8.0234 8.0652 10.2854 10.4812 12.8959 13.5224 14.2437 14.2726 k = 0.6131-0.0653 0.4277 ( 1354 PWs) bands (ev): -4.3067 -4.3038 -1.0359 -0.6330 1.4605 2.2905 3.7415 3.9001 8.0347 8.1143 10.2869 10.4820 12.8581 13.5059 14.1724 14.2419 k = 0.6071-0.0619 0.4374 ( 1354 PWs) bands (ev): -4.3041 -4.3013 -1.0358 -0.6312 1.4627 2.2960 3.6957 3.8815 8.0662 8.1818 10.2893 10.4834 12.7991 13.4762 14.0843 14.2020 k = 0.6012-0.0584 0.4471 ( 1358 PWs) bands (ev): -4.3006 -4.2979 -1.0358 -0.6287 1.4656 2.3037 3.6376 3.8527 8.1174 8.2658 10.2927 10.4853 12.7233 13.4321 13.9906 14.1541 k = 0.5952-0.0550 0.4568 ( 1358 PWs) bands (ev): -4.2962 -4.2935 -1.0359 -0.6256 1.4693 2.3136 3.5699 3.8138 8.1872 8.3647 10.2971 10.4877 12.6346 13.3736 13.8952 14.0983 k = 0.5893-0.0515 0.4666 ( 1360 PWs) bands (ev): -4.2908 -4.2883 -1.0360 -0.6219 1.4736 2.3256 3.4953 3.7655 8.2742 8.4763 10.3023 10.4906 12.5363 13.3021 13.7996 14.0352 k = 0.5833-0.0481 0.4763 ( 1357 PWs) bands (ev): -4.2846 -4.2822 -1.0363 -0.6178 1.4783 2.3397 3.4157 3.7091 8.3766 8.5989 10.3083 10.4938 12.4310 13.2201 13.7038 13.9655 k = 0.5774-0.0447 0.4860 ( 1361 PWs) bands (ev): -4.2778 -4.2755 -1.0367 -0.6133 1.4833 2.3559 3.3333 3.6463 8.4927 8.7304 10.3151 10.4975 12.3204 13.1301 13.6081 13.8902 k = 0.5714-0.0412 0.4957 ( 1357 PWs) bands (ev): -4.2702 -4.2681 -1.0373 -0.6085 1.4884 2.3741 3.2499 3.5785 8.6205 8.8689 10.3227 10.5015 12.2061 13.0346 13.5123 13.8103 k = 0.5655-0.0378 0.5055 ( 1363 PWs) bands (ev): -4.2622 -4.2603 -1.0382 -0.6036 1.4934 2.3942 3.1670 3.5074 8.7582 9.0122 10.3309 10.5060 12.0891 12.9359 13.4169 13.7272 k = 0.5595-0.0344 0.5152 ( 1363 PWs) bands (ev): -4.2538 -4.2521 -1.0393 -0.5986 1.4980 2.4163 3.0864 3.4344 8.9039 9.1583 10.3399 10.5110 11.9703 12.8360 13.3223 13.6419 k = 0.5536-0.0309 0.5249 ( 1362 PWs) bands (ev): -4.2451 -4.2436 -1.0408 -0.5937 1.5021 2.4400 3.0094 3.3611 9.0556 9.3046 10.3498 10.5169 11.8503 12.7368 13.2295 13.5557 k = 0.5476-0.0275 0.5346 ( 1362 PWs) bands (ev): -4.2364 -4.2351 -1.0425 -0.5891 1.5053 2.4653 2.9374 3.2885 9.2112 9.4483 10.3607 10.5242 11.7298 12.6398 13.1394 13.4700 k = 0.5417-0.0241 0.5443 ( 1364 PWs) bands (ev): -4.2278 -4.2268 -1.0446 -0.5849 1.5075 2.4919 2.8716 3.2181 9.3682 9.5860 10.3732 10.5335 11.6092 12.5470 13.0535 13.3861 k = 0.5357-0.0206 0.5541 ( 1358 PWs) bands (ev): -4.2194 -4.2187 -1.0468 -0.5812 1.5085 2.5194 2.8132 3.1510 9.5235 9.7133 10.3883 10.5462 11.4890 12.4602 12.9732 13.3053 k = 0.5298-0.0172 0.5638 ( 1360 PWs) bands (ev): -4.2117 -4.2112 -1.0492 -0.5780 1.5084 2.5472 2.7633 3.0883 9.6726 9.8256 10.4081 10.5634 11.3698 12.3816 12.9004 13.2292 k = 0.5238-0.0137 0.5735 ( 1364 PWs) bands (ev): -4.2048 -4.2045 -1.0517 -0.5756 1.5072 2.5738 2.7229 3.0314 9.8087 9.9182 10.4364 10.5861 11.2521 12.3135 12.8370 13.1596 k = 0.5179-0.0103 0.5832 ( 1358 PWs) bands (ev): -4.1989 -4.1987 -1.0540 -0.5738 1.5053 2.5967 2.6941 2.9821 9.9225 9.9876 10.4791 10.6130 11.1370 12.2586 12.7853 13.0988 k = 0.5119-0.0069 0.5929 ( 1358 PWs) bands (ev): -4.1943 -4.1942 -1.0560 -0.5727 1.5031 2.6106 2.6802 2.9427 10.0037 10.0335 10.5413 10.6399 11.0268 12.2188 12.7473 13.0495 k = 0.5060-0.0034 0.6027 ( 1348 PWs) bands (ev): -4.1913 -4.1912 -1.0574 -0.5722 1.5013 2.6132 2.6801 2.9166 10.0486 10.0582 10.6163 10.6602 10.9294 12.1956 12.7248 13.0158 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -4.1903 -4.1902 -1.0579 -0.5721 1.5005 2.6123 2.6824 2.9074 10.0614 10.0659 10.6610 10.6678 10.8798 12.1882 12.7176 13.0031 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -4.1903 -4.1902 -1.0579 -0.5721 1.5005 2.6123 2.6824 2.9074 10.0614 10.0659 10.6610 10.6678 10.8798 12.1882 12.7176 13.0031 k = 0.5000 0.0070 0.6024 ( 1348 PWs) bands (ev): -4.1924 -4.1923 -1.0562 -0.5704 1.4990 2.6164 2.6724 2.9238 10.0535 10.0598 10.6625 10.6708 10.8821 12.1818 12.7201 13.0208 k = 0.5000 0.0141 0.5925 ( 1354 PWs) bands (ev): -4.1989 -4.1986 -1.0511 -0.5654 1.4948 2.6199 2.6584 2.9655 10.0308 10.0422 10.6612 10.6826 10.8908 12.1633 12.7305 13.0699 k = 0.5000 0.0211 0.5825 ( 1356 PWs) bands (ev): -4.2095 -4.2089 -1.0428 -0.5575 1.4886 2.5979 2.6757 3.0218 9.9956 10.0149 10.6520 10.7006 10.9098 12.1357 12.7535 13.1422 k = 0.5000 0.0282 0.5725 ( 1356 PWs) bands (ev): -4.2241 -4.2231 -1.0317 -0.5469 1.4818 2.5673 2.7122 3.0867 9.9512 9.9798 10.6322 10.7207 10.9413 12.1029 12.7910 13.2308 k = 0.5000 0.0352 0.5626 ( 1354 PWs) bands (ev): -4.2425 -4.2409 -1.0180 -0.5345 1.4758 2.5387 2.7591 3.1572 9.9001 9.9387 10.6020 10.7400 10.9843 12.0693 12.8420 13.3311 k = 0.5000 0.0422 0.5526 ( 1358 PWs) bands (ev): -4.2644 -4.2622 -1.0023 -0.5208 1.4722 2.5148 2.8143 3.2319 9.8441 9.8932 10.5638 10.7560 11.0361 12.0386 12.9042 13.4403 k = 0.5000 0.0493 0.5427 ( 1358 PWs) bands (ev): -4.2894 -4.2865 -0.9850 -0.5067 1.4726 2.4968 2.8762 3.3099 9.7847 9.8445 10.5200 10.7669 11.0940 12.0139 12.9749 13.5564 k = 0.5000 0.0563 0.5327 ( 1358 PWs) bands (ev): -4.3172 -4.3136 -0.9669 -0.4931 1.4784 2.4857 2.9439 3.3905 9.7226 9.7934 10.4728 10.7713 11.1559 11.9969 13.0513 13.6781 k = 0.5000 0.0634 0.5228 ( 1364 PWs) bands (ev): -4.3476 -4.3433 -0.9483 -0.4809 1.4909 2.4819 3.0163 3.4732 9.6586 9.7406 10.4239 10.7686 11.2203 11.9888 13.1305 13.8045 k = 0.5000 0.0704 0.5128 ( 1362 PWs) bands (ev): -4.3800 -4.3750 -0.9300 -0.4709 1.5114 2.4860 3.0926 3.5576 9.5929 9.6865 10.3748 10.7588 11.2860 11.9894 13.2091 13.9348 k = 0.5000 0.0774 0.5028 ( 1362 PWs) bands (ev): -4.4142 -4.4085 -0.9123 -0.4636 1.5406 2.4983 3.1722 3.6432 9.5258 9.6313 10.3265 10.7426 11.3519 11.9978 13.2829 14.0682 k = 0.5000 0.0845 0.4929 ( 1362 PWs) bands (ev): -4.4498 -4.4434 -0.8959 -0.4598 1.5791 2.5190 3.2544 3.7297 9.4573 9.5752 10.2801 10.7210 11.4173 12.0125 13.3465 14.2040 k = 0.5000 0.0915 0.4829 ( 1362 PWs) bands (ev): -4.4864 -4.4794 -0.8810 -0.4596 1.6274 2.5485 3.3388 3.8168 9.3875 9.5181 10.2363 10.6954 11.4811 12.0315 13.3931 14.3400 k = 0.5000 0.0986 0.4730 ( 1358 PWs) bands (ev): -4.5238 -4.5163 -0.8681 -0.4632 1.6854 2.5867 3.4248 3.9040 9.3164 9.4600 10.1959 10.6672 11.5427 12.0522 13.4158 14.4547 k = 0.5000 0.1056 0.4630 ( 1364 PWs) bands (ev): -4.5617 -4.5538 -0.8573 -0.4705 1.7531 2.6335 3.5120 3.9910 9.2439 9.4008 10.1593 10.6378 11.6008 12.0720 13.4107 14.4550 k = 0.5000 0.1127 0.4531 ( 1362 PWs) bands (ev): -4.5998 -4.5914 -0.8488 -0.4814 1.8300 2.6890 3.6001 4.0775 9.1700 9.3401 10.1271 10.6083 11.6544 12.0878 13.3799 14.3899 k = 0.5000 0.1197 0.4431 ( 1364 PWs) bands (ev): -4.6379 -4.6292 -0.8426 -0.4954 1.9158 2.7527 3.6887 4.1631 9.0947 9.2778 10.0996 10.5799 11.7023 12.0965 13.3314 14.2753 k = 0.5000 0.1267 0.4331 ( 1368 PWs) bands (ev): -4.6757 -4.6667 -0.8387 -0.5122 2.0098 2.8245 3.7774 4.2475 9.0177 9.2134 10.0773 10.5534 11.7428 12.0948 13.2753 14.1517 k = 0.5000 0.1338 0.4232 ( 1368 PWs) bands (ev): -4.7129 -4.7038 -0.8370 -0.5314 2.1113 2.9039 3.8660 4.3304 8.9390 9.1468 10.0602 10.5294 11.7739 12.0802 13.2206 14.0304 k = 0.5000 0.1408 0.4132 ( 1368 PWs) bands (ev): -4.7495 -4.7403 -0.8373 -0.5524 2.2198 2.9905 3.9541 4.4114 8.8584 9.0774 10.0487 10.5087 11.7932 12.0515 13.1738 13.9158 k = 0.5000 0.1479 0.4033 ( 1360 PWs) bands (ev): -4.7852 -4.7760 -0.8395 -0.5748 2.3344 3.0836 4.0416 4.4903 8.7759 9.0050 10.0428 10.4916 11.7975 12.0102 13.1381 13.8107 k = 0.5000 0.1549 0.3933 ( 1362 PWs) bands (ev): -4.8200 -4.8108 -0.8433 -0.5983 2.4546 3.1826 4.1283 4.5667 8.6912 8.9290 10.0427 10.4783 11.7825 11.9609 13.1139 13.7174 k = 0.5000 0.1619 0.3834 ( 1362 PWs) bands (ev): -4.8536 -4.8445 -0.8485 -0.6224 2.5797 3.2870 4.2138 4.6405 8.6041 8.8493 10.0483 10.4690 11.7448 11.9096 13.0991 13.6372 k = 0.5000 0.1690 0.3734 ( 1362 PWs) bands (ev): -4.8860 -4.8771 -0.8548 -0.6468 2.7089 3.3959 4.2983 4.7114 8.5145 8.7654 10.0595 10.4638 11.6858 11.8588 13.0910 13.5706 k = 0.5000 0.1760 0.3634 ( 1358 PWs) bands (ev): -4.9169 -4.9082 -0.8619 -0.6713 2.8416 3.5084 4.3814 4.7792 8.4223 8.6772 10.0762 10.4623 11.6130 11.8056 13.0868 13.5168 k = 0.5000 0.1831 0.3535 ( 1358 PWs) bands (ev): -4.9464 -4.9380 -0.8697 -0.6955 2.9771 3.6237 4.4634 4.8440 8.3273 8.5845 10.0980 10.4643 11.5346 11.7474 13.0839 13.4740 k = 0.5000 0.1901 0.3435 ( 1358 PWs) bands (ev): -4.9743 -4.9662 -0.8778 -0.7192 3.1146 3.7406 4.5442 4.9055 8.2294 8.4872 10.1245 10.4691 11.4565 11.6836 13.0805 13.4392 k = 0.5000 0.1971 0.3336 ( 1360 PWs) bands (ev): -5.0006 -4.9929 -0.8860 -0.7423 3.2533 3.8578 4.6241 4.9640 8.1288 8.3855 10.1552 10.4761 11.3827 11.6158 13.0751 13.4092 k = 0.5000 0.2042 0.3236 ( 1360 PWs) bands (ev): -5.0252 -5.0179 -0.8942 -0.7645 3.3924 3.9738 4.7036 5.0195 8.0255 8.2795 10.1892 10.4843 11.3162 11.5463 13.0669 13.3809 k = 0.5000 0.2112 0.3137 ( 1356 PWs) bands (ev): -5.0479 -5.0411 -0.9020 -0.7857 3.5309 4.0868 4.7831 5.0724 7.9200 8.1698 10.2257 10.4925 11.2594 11.4774 13.0551 13.3514 k = 0.5000 0.2183 0.3037 ( 1360 PWs) bands (ev): -5.0688 -5.0626 -0.9095 -0.8057 3.6677 4.1946 4.8634 5.1231 7.8127 8.0567 10.2634 10.4994 11.2139 11.4118 13.0394 13.3188 k = 0.5000 0.2253 0.2937 ( 1360 PWs) bands (ev): -5.0879 -5.0821 -0.9162 -0.8246 3.8015 4.2950 4.9450 5.1720 7.7046 7.9413 10.3008 10.5042 11.1805 11.3517 13.0198 13.2819 k = 0.5000 0.2323 0.2838 ( 1364 PWs) bands (ev): -5.1050 -5.0998 -0.9223 -0.8421 3.9309 4.3856 5.0286 5.2197 7.5970 7.8246 10.3363 10.5062 11.1594 11.2993 12.9970 13.2400 k = 0.5000 0.2394 0.2738 ( 1364 PWs) bands (ev): -5.1201 -5.1155 -0.9273 -0.8582 4.0542 4.4641 5.1137 5.2668 7.4915 7.7077 10.3683 10.5053 11.1495 11.2562 12.9719 13.1938 k = 0.5000 0.2464 0.2639 ( 1366 PWs) bands (ev): -5.1333 -5.1293 -0.9314 -0.8729 4.1696 4.5291 5.1992 5.3138 7.3907 7.5925 10.3953 10.5021 11.1488 11.2236 12.9461 13.1442 k = 0.5000 0.2535 0.2539 ( 1366 PWs) bands (ev): -5.1444 -5.1410 -0.9343 -0.8861 4.2754 4.5795 5.2826 5.3605 7.2976 7.4811 10.4164 10.4974 11.1545 11.2017 12.9216 13.0930 k = 0.5000 0.2605 0.2440 ( 1366 PWs) bands (ev): -5.1534 -5.1507 -0.9360 -0.8977 4.3698 4.6150 5.3601 5.4063 7.2162 7.3761 10.4320 10.4917 11.1639 11.1896 12.9007 13.0426 k = 0.5000 0.2676 0.2340 ( 1366 PWs) bands (ev): -5.1604 -5.1583 -0.9363 -0.9079 4.4512 4.6357 5.4269 5.4490 7.1513 7.2811 10.4430 10.4854 11.1739 11.1853 12.8858 12.9952 k = 0.5000 0.2746 0.2240 ( 1368 PWs) bands (ev): -5.1653 -5.1639 -0.9353 -0.9164 4.5187 4.6416 5.4782 5.4854 7.1079 7.2003 10.4513 10.4787 11.1823 11.1858 12.8790 12.9535 k = 0.5000 0.2816 0.2141 ( 1370 PWs) bands (ev): -5.1681 -5.1674 -0.9328 -0.9234 4.5715 4.6330 5.5098 5.5108 7.0904 7.1386 10.4583 10.4718 11.1876 11.1880 12.8819 12.9197 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -5.1689 -5.1689 -0.9289 -0.9289 4.6096 4.6096 5.5203 5.5203 7.1008 7.1008 10.4650 10.4650 11.1892 11.1892 12.8955 12.8955 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -5.1689 -5.1689 -0.9289 -0.9289 4.6096 4.6096 5.5203 5.5203 7.1008 7.1008 10.4650 10.4650 11.1892 11.1892 12.8955 12.8955 k = 0.4964 0.2866 0.2158 ( 1367 PWs) bands (ev): -5.1680 -5.1674 -0.9329 -0.9233 4.5709 4.6332 5.5097 5.5104 7.0904 7.1394 10.4582 10.4719 11.1876 11.1879 12.8818 12.9201 k = 0.4929 0.2846 0.2275 ( 1365 PWs) bands (ev): -5.1651 -5.1638 -0.9353 -0.9162 4.5169 4.6417 5.4778 5.4836 7.1089 7.2024 10.4511 10.4788 11.1831 11.1848 12.8791 12.9546 k = 0.4893 0.2825 0.2391 ( 1365 PWs) bands (ev): -5.1601 -5.1580 -0.9363 -0.9074 4.4480 4.6350 5.4271 5.4445 7.1539 7.2848 10.4432 10.4850 11.1767 11.1821 12.8863 12.9972 k = 0.4857 0.2804 0.2508 ( 1365 PWs) bands (ev): -5.1529 -5.1502 -0.9359 -0.8971 4.3647 4.6129 5.3624 5.3976 7.2209 7.3814 10.4337 10.4895 11.1710 11.1826 12.9018 13.0454 k = 0.4821 0.2784 0.2624 ( 1365 PWs) bands (ev): -5.1436 -5.1402 -0.9341 -0.8852 4.2682 4.5749 5.2893 5.3462 7.3049 7.4873 10.4218 10.4908 11.1688 11.1890 12.9233 13.0965 k = 0.4786 0.2763 0.2741 ( 1363 PWs) bands (ev): -5.1322 -5.1281 -0.9311 -0.8717 4.1600 4.5205 5.2132 5.2927 7.4007 7.5986 10.4074 10.4879 11.1733 11.2034 12.9481 13.1479 k = 0.4750 0.2742 0.2858 ( 1363 PWs) bands (ev): -5.1187 -5.1140 -0.9269 -0.8567 4.0418 4.4500 5.1382 5.2382 7.5041 7.7119 10.3911 10.4802 11.1868 11.2274 12.9740 13.1970 k = 0.4714 0.2722 0.2974 ( 1363 PWs) bands (ev): -5.1031 -5.0979 -0.9216 -0.8402 3.9153 4.3643 5.0666 5.1833 7.6113 7.8242 10.3740 10.4681 11.2108 11.2615 12.9987 13.2415 k = 0.4679 0.2701 0.3091 ( 1361 PWs) bands (ev): -5.0855 -5.0797 -0.9154 -0.8222 3.7823 4.2654 4.9993 5.1282 7.7192 7.9329 10.3581 10.4534 11.2453 11.3058 13.0204 13.2800 k = 0.4643 0.2681 0.3208 ( 1361 PWs) bands (ev): -5.0659 -5.0596 -0.9085 -0.8029 3.6443 4.1559 4.9361 5.0730 7.8251 8.0356 10.3456 10.4382 11.2896 11.3597 13.0380 13.3111 k = 0.4607 0.2660 0.3324 ( 1359 PWs) bands (ev): -5.0444 -5.0376 -0.9009 -0.7824 3.5028 4.0386 4.8760 5.0176 7.9264 8.1300 10.3389 10.4252 11.3424 11.4222 13.0508 13.3344 k = 0.4571 0.2639 0.3441 ( 1361 PWs) bands (ev): -5.0211 -5.0137 -0.8929 -0.7608 3.3590 3.9159 4.8182 4.9621 8.0209 8.2140 10.3402 10.4171 11.4020 11.4926 13.0587 13.3499 k = 0.4536 0.2619 0.3558 ( 1359 PWs) bands (ev): -4.9958 -4.9881 -0.8847 -0.7381 3.2140 3.7901 4.7620 4.9066 8.1065 8.2859 10.3513 10.4162 11.4669 11.5697 13.0622 13.3582 k = 0.4500 0.2598 0.3674 ( 1363 PWs) bands (ev): -4.9689 -4.9608 -0.8765 -0.7147 3.0687 3.6631 4.7067 4.8509 8.1813 8.3444 10.3734 10.4246 11.5354 11.6528 13.0621 13.3603 k = 0.4464 0.2577 0.3791 ( 1361 PWs) bands (ev): -4.9403 -4.9319 -0.8686 -0.6906 2.9242 3.5363 4.6522 4.7953 8.2442 8.3890 10.4069 10.4435 11.6057 11.7409 13.0598 13.3573 k = 0.4429 0.2557 0.3908 ( 1365 PWs) bands (ev): -4.9102 -4.9015 -0.8611 -0.6662 2.7812 3.4110 4.5982 4.7399 8.2944 8.4198 10.4510 10.4734 11.6761 11.8331 13.0573 13.3509 k = 0.4393 0.2536 0.4024 ( 1367 PWs) bands (ev): -4.8785 -4.8696 -0.8544 -0.6417 2.6405 3.2884 4.5446 4.6847 8.3316 8.4378 10.5042 10.5138 11.7448 11.9286 13.0566 13.3426 k = 0.4357 0.2516 0.4141 ( 1368 PWs) bands (ev): -4.8455 -4.8365 -0.8489 -0.6175 2.5031 3.1693 4.4916 4.6301 8.3565 8.4442 10.5634 10.5643 11.8101 12.0265 13.0602 13.3345 k = 0.4321 0.2495 0.4257 ( 1368 PWs) bands (ev): -4.8114 -4.8022 -0.8447 -0.5939 2.3697 3.0548 4.4391 4.5760 8.3701 8.4408 10.6198 10.6285 11.8707 12.1261 13.0709 13.3285 k = 0.4286 0.2474 0.4374 ( 1362 PWs) bands (ev): -4.7760 -4.7669 -0.8422 -0.5713 2.2413 2.9457 4.3874 4.5227 8.3737 8.4293 10.6798 10.6935 11.9256 12.2265 13.0909 13.3270 k = 0.4250 0.2454 0.4491 ( 1360 PWs) bands (ev): -4.7399 -4.7308 -0.8417 -0.5503 2.1186 2.8427 4.3364 4.4703 8.3689 8.4114 10.7396 10.7560 11.9752 12.3270 13.1221 13.3322 k = 0.4214 0.2433 0.4607 ( 1360 PWs) bands (ev): -4.7031 -4.6941 -0.8434 -0.5314 2.0027 2.7465 4.2864 4.4190 8.3573 8.3886 10.7949 10.8129 12.0211 12.4269 13.1655 13.3462 k = 0.4179 0.2412 0.4724 ( 1356 PWs) bands (ev): -4.6658 -4.6570 -0.8476 -0.5153 1.8946 2.6578 4.2375 4.3689 8.3403 8.3623 10.8412 10.8612 12.0662 12.5258 13.2208 13.3712 k = 0.4143 0.2392 0.4841 ( 1350 PWs) bands (ev): -4.6283 -4.6198 -0.8545 -0.5026 1.7953 2.5772 4.1898 4.3202 8.3192 8.3335 10.8741 10.8982 12.1141 12.6233 13.2870 13.4083 k = 0.4107 0.2371 0.4957 ( 1350 PWs) bands (ev): -4.5909 -4.5827 -0.8640 -0.4938 1.7058 2.5051 4.1434 4.2731 8.2952 8.3031 10.8905 10.9221 12.1680 12.7193 13.3625 13.4584 k = 0.4071 0.2351 0.5074 ( 1351 PWs) bands (ev): -4.5539 -4.5462 -0.8763 -0.4896 1.6271 2.4420 4.0986 4.2276 8.2692 8.2720 10.8887 10.9316 12.2301 12.8141 13.4457 13.5211 k = 0.4036 0.2330 0.5191 ( 1353 PWs) bands (ev): -4.5176 -4.5104 -0.8910 -0.4904 1.5600 2.3882 4.0554 4.1839 8.2407 8.2421 10.8685 10.9265 12.3005 12.9076 13.5347 13.5956 k = 0.4000 0.2309 0.5307 ( 1350 PWs) bands (ev): -4.4825 -4.4758 -0.9080 -0.4964 1.5053 2.3437 4.0139 4.1421 8.2097 8.2144 10.8315 10.9072 12.3780 12.9997 13.6281 13.6803 k = 0.3964 0.2289 0.5424 ( 1352 PWs) bands (ev): -4.4490 -4.4428 -0.9268 -0.5074 1.4631 2.3088 3.9743 4.1024 8.1795 8.1867 10.7798 10.8746 12.4604 13.0899 13.7246 13.7734 k = 0.3929 0.2268 0.5541 ( 1354 PWs) bands (ev): -4.4175 -4.4120 -0.9468 -0.5231 1.4337 2.2832 3.9367 4.0648 8.1503 8.1595 10.7159 10.8301 12.5449 13.1772 13.8232 13.8730 k = 0.3893 0.2248 0.5657 ( 1351 PWs) bands (ev): -4.3885 -4.3835 -0.9672 -0.5426 1.4167 2.2669 3.9012 4.0295 8.1225 8.1331 10.6421 10.7752 12.6287 13.2606 13.9231 13.9766 k = 0.3857 0.2227 0.5774 ( 1348 PWs) bands (ev): -4.3625 -4.3582 -0.9873 -0.5648 1.4116 2.2594 3.8679 3.9965 8.0962 8.1077 10.5605 10.7114 12.7091 13.3386 14.0232 14.0807 k = 0.3821 0.2206 0.5890 ( 1352 PWs) bands (ev): -4.3403 -4.3365 -1.0061 -0.5886 1.4175 2.2604 3.8369 3.9659 8.0717 8.0837 10.4728 10.6402 12.7839 13.4100 14.1219 14.1785 k = 0.3786 0.2186 0.6007 ( 1352 PWs) bands (ev): -4.3222 -4.3189 -1.0226 -0.6123 1.4335 2.2695 3.8083 3.9379 8.0489 8.0611 10.3805 10.5630 12.8510 13.4734 14.2132 14.2547 k = 0.3750 0.2165 0.6124 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.6250-0.0722 0.4082 ( 1350 PWs) bands (ev): -4.3087 -4.3058 -1.0359 -0.6344 1.4587 2.2861 3.7821 3.9125 8.0281 8.0402 10.2849 10.4809 12.9090 13.5276 14.2726 14.2869 k = 0.6190-0.0825 0.4082 ( 1354 PWs) bands (ev): -4.2920 -4.2897 -1.0536 -0.6688 1.5111 2.3226 3.7419 3.8736 7.9956 8.0071 10.1200 10.3356 12.9980 13.6084 14.3079 14.3239 k = 0.6131-0.0928 0.4082 ( 1356 PWs) bands (ev): -4.2780 -4.2761 -1.0694 -0.7023 1.5702 2.3643 3.7041 3.8372 7.9642 7.9750 9.9497 10.1812 13.0876 13.6863 14.3426 14.3782 k = 0.6071-0.1031 0.4082 ( 1348 PWs) bands (ev): -4.2662 -4.2647 -1.0834 -0.7347 1.6355 2.4107 3.6691 3.8034 7.9342 7.9439 9.7757 10.0198 13.1779 13.7616 14.3885 14.4366 k = 0.6012-0.1134 0.4082 ( 1348 PWs) bands (ev): -4.2568 -4.2557 -1.0957 -0.7663 1.7062 2.4610 3.6372 3.7724 7.9054 7.9138 9.5997 9.8531 13.2686 13.8349 14.4434 14.4982 k = 0.5952-0.1237 0.4082 ( 1348 PWs) bands (ev): -4.2494 -4.2485 -1.1066 -0.7968 1.7817 2.5146 3.6087 3.7443 7.8780 7.8850 9.4233 9.6828 13.3597 13.9064 14.5047 14.5618 k = 0.5893-0.1340 0.4082 ( 1348 PWs) bands (ev): -4.2437 -4.2431 -1.1162 -0.8264 1.8611 2.5701 3.5841 3.7193 7.8521 7.8573 9.2478 9.5105 13.4508 13.9764 14.5702 14.6264 k = 0.5833-0.1443 0.4082 ( 1350 PWs) bands (ev): -4.2395 -4.2391 -1.1245 -0.8549 1.9436 2.6265 3.5640 3.6976 7.8277 7.8310 9.0746 9.3378 13.5418 14.0450 14.6380 14.6908 k = 0.5774-0.1546 0.4082 ( 1344 PWs) bands (ev): -4.2366 -4.2364 -1.1316 -0.8822 2.0283 2.6821 3.5490 3.6795 7.8048 7.8059 8.9051 9.1659 13.6323 14.1120 14.7062 14.7539 k = 0.5714-0.1650 0.4082 ( 1356 PWs) bands (ev): -4.2350 -4.2348 -1.1375 -0.9084 2.1139 2.7353 3.5399 3.6651 7.7822 7.7836 8.7406 8.9963 13.7220 14.1772 14.7732 14.8147 k = 0.5655-0.1753 0.4082 ( 1350 PWs) bands (ev): -4.2340 -4.2340 -1.1424 -0.9334 2.1996 2.7842 3.5376 3.6547 7.7597 7.7640 8.5827 8.8303 13.8105 14.2401 14.8375 14.8724 k = 0.5595-0.1856 0.4082 ( 1350 PWs) bands (ev): -4.2339 -4.2338 -1.1461 -0.9571 2.2839 2.8269 3.5426 3.6484 7.7384 7.7461 8.4328 8.6692 13.8974 14.3001 14.8978 14.9261 k = 0.5536-0.1959 0.4082 ( 1346 PWs) bands (ev): -4.2342 -4.2342 -1.1488 -0.9795 2.3658 2.8620 3.5552 3.6465 7.7182 7.7299 8.2926 8.5144 13.9821 14.3564 14.9530 14.9751 k = 0.5476-0.2062 0.4082 ( 1346 PWs) bands (ev): -4.2349 -4.2349 -1.1503 -1.0006 2.4440 2.8886 3.5746 3.6488 7.6988 7.7153 8.1639 8.3672 14.0642 14.4083 15.0020 15.0188 k = 0.5417-0.2165 0.4082 ( 1348 PWs) bands (ev): -4.2359 -4.2359 -1.1507 -1.0203 2.5175 2.9066 3.5994 3.6553 7.6799 7.7024 8.0487 8.2294 14.1431 14.4546 15.0440 15.0567 k = 0.5357-0.2268 0.4082 ( 1348 PWs) bands (ev): -4.2370 -4.2370 -1.1499 -1.0386 2.5851 2.9166 3.6274 3.6654 7.6611 7.6910 7.9493 8.1025 14.2180 14.4943 15.0789 15.0887 k = 0.5298-0.2371 0.4082 ( 1354 PWs) bands (ev): -4.2382 -4.2381 -1.1479 -1.0555 2.6463 2.9195 3.6560 3.6783 7.6419 7.6809 7.8679 7.9884 14.2881 14.5262 15.1066 15.1146 k = 0.5238-0.2474 0.4082 ( 1358 PWs) bands (ev): -4.2392 -4.2392 -1.1447 -1.0710 2.7005 2.9161 3.6825 3.6928 7.6224 7.6714 7.8059 7.8896 14.3526 14.5491 15.1278 15.1346 k = 0.5179-0.2577 0.4082 ( 1362 PWs) bands (ev): -4.2401 -4.2401 -1.1402 -1.0851 2.7479 2.9074 3.7047 3.7074 7.6047 7.6608 7.7627 7.8093 14.4105 14.5619 15.1433 15.1491 k = 0.5119-0.2681 0.4082 ( 1362 PWs) bands (ev): -4.2408 -4.2407 -1.1344 -1.0978 2.7886 2.8937 3.7201 3.7211 7.5930 7.6458 7.7355 7.7528 14.4606 14.5637 15.1540 15.1584 k = 0.5060-0.2784 0.4082 ( 1362 PWs) bands (ev): -4.2412 -4.2412 -1.1273 -1.1090 2.8230 2.8752 3.7293 3.7306 7.5917 7.6240 7.7204 7.7237 14.5020 14.5542 15.1607 15.1631 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -4.2413 -4.2413 -1.1188 -1.1188 2.8517 2.8517 3.7332 3.7332 7.6029 7.6029 7.7157 7.7157 14.5335 14.5335 15.1638 15.1638 Writing output data file BiB.save init_run : 0.18s CPU 0.45s WALL ( 1 calls) electrons : 30.66s CPU 31.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 30.65s CPU 31.34s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 381 calls) cegterg : 28.70s CPU 29.14s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 17.43s CPU 21.05s WALL ( 9288 calls) s_psi : 0.27s CPU 0.32s WALL ( 9288 calls) g_psi : 0.06s CPU 0.05s WALL ( 8322 calls) cdiaghg : 6.16s CPU 6.40s WALL ( 8703 calls) cegterg:over : 1.07s CPU 1.10s WALL ( 8322 calls) cegterg:upda : 0.30s CPU 0.32s WALL ( 8322 calls) cegterg:last : 0.20s CPU 0.24s WALL ( 1795 calls) Called by h_psi: h_psi:vloc : 16.36s CPU 19.92s WALL ( 9288 calls) h_psi:vnl : 1.06s CPU 1.10s WALL ( 9288 calls) add_vuspsi : 0.30s CPU 0.36s WALL ( 9288 calls) General routines calbec : 0.76s CPU 0.72s WALL ( 9288 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.65s CPU 18.85s WALL ( 355148 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.12s CPU 0.06s WALL ( 762 calls) Parallel routines fft_scatter : 12.84s CPU 14.98s WALL ( 355171 calls) PWSCF : 37.59s CPU 41.27s WALL This run was terminated on: 14:26:42 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=