Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:52:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ge.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 12 8 3 176 99 19 Max 13 9 4 180 107 22 Sum 451 313 109 6375 3695 725 bravais-lattice index = 14 lattice parameter (alat) = 7.5596 a.u. unit-cell volume = 305.4750 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 20.0000 Ry charge density cutoff = 116.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.559566 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) 2 Sym. Ops. (no inversion) found (note: 10 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 2) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cryst. axis [0,1,0] -s -2 inv. 180 deg rotation - cryst. axis [0,1,0] E Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0051549 0.0072901), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0154647 0.0218704), wk = 0.0026882 k( 5) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0257746 0.0364507), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0026882 k( 8) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0463942 0.0656113), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0567040 0.0801916), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0670139 0.0947719), wk = 0.0026882 k( 15) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0026882 k( 16) = ( 0.1339286 -0.0773237 0.1093522), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0876335 0.1239325), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0979434 0.1385128), wk = 0.0026882 k( 21) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0026882 k( 22) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0026882 k( 23) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0026882 k( 24) = ( 0.2053571 -0.1185630 0.1676734), wk = 0.0026882 k( 25) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0026882 k( 26) = ( 0.2232143 -0.1288728 0.1822537), wk = 0.0026882 k( 27) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0026882 k( 28) = ( 0.2410714 -0.1391827 0.1968340), wk = 0.0026882 k( 29) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0026882 k( 30) = ( 0.2589286 -0.1494925 0.2114143), wk = 0.0026882 k( 31) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0026882 k( 32) = ( 0.2767857 -0.1598023 0.2259946), wk = 0.0026882 k( 33) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0026882 k( 34) = ( 0.2946429 -0.1701121 0.2405749), wk = 0.0026882 k( 35) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0026882 k( 36) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0026882 k( 37) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0026882 k( 38) = ( 0.3303571 -0.1907318 0.2697355), wk = 0.0026882 k( 39) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0026882 k( 40) = ( 0.3482143 -0.2010416 0.2843158), wk = 0.0026882 k( 41) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0026882 k( 42) = ( 0.3660714 -0.2113514 0.2988961), wk = 0.0026882 k( 43) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0026882 k( 44) = ( 0.3839286 -0.2216613 0.3134764), wk = 0.0026882 k( 45) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0026882 k( 46) = ( 0.4017857 -0.2319711 0.3280567), wk = 0.0026882 k( 47) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0026882 k( 48) = ( 0.4196429 -0.2422809 0.3426370), wk = 0.0026882 k( 49) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0026882 k( 50) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0026882 k( 51) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0026882 k( 52) = ( 0.4553571 -0.2629006 0.3717975), wk = 0.0026882 k( 53) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0026882 k( 54) = ( 0.4732143 -0.2732104 0.3863778), wk = 0.0026882 k( 55) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0026882 k( 56) = ( 0.4910714 -0.2835202 0.4009581), wk = 0.0026882 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 59) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0026882 k( 60) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0026882 k( 61) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0026882 k( 62) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0026882 k( 63) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0026882 k( 64) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0026882 k( 65) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0026882 k( 66) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0026882 k( 67) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0026882 k( 68) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0026882 k( 69) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0026882 k( 70) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0026882 k( 71) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0026882 k( 72) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0026882 k( 73) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0026882 k( 74) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0026882 k( 75) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0026882 k( 76) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0026882 k( 77) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0026882 k( 78) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0026882 k( 79) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0026882 k( 80) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0026882 k( 81) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0026882 k( 82) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0026882 k( 83) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0026882 k( 84) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0026882 k( 85) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0026882 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 87) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 88) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0026882 k( 89) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0026882 k( 90) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0026882 k( 91) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0026882 k( 92) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0026882 k( 93) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0026882 k( 94) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0026882 k( 95) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0026882 k( 96) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0026882 k( 97) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0026882 k( 98) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0026882 k( 99) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0026882 k( 100) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0026882 k( 101) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0026882 k( 102) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0026882 k( 103) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0026882 k( 104) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0026882 k( 105) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0026882 k( 106) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0026882 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 108) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 109) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0026882 k( 110) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0026882 k( 111) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0026882 k( 112) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0026882 k( 113) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0026882 k( 114) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0026882 k( 115) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0026882 k( 116) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0026882 k( 117) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0026882 k( 118) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0026882 k( 119) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0026882 k( 120) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0026882 k( 121) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0026882 k( 122) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0026882 k( 123) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0026882 k( 124) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0026882 k( 125) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0026882 k( 126) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0026882 k( 127) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0026882 k( 128) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0026882 k( 129) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0026882 k( 130) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0026882 k( 131) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0026882 k( 132) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0026882 k( 133) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0026882 k( 134) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0026882 k( 135) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0026882 k( 136) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0026882 k( 137) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0026882 k( 138) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0026882 k( 139) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0026882 k( 140) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0026882 k( 141) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0026882 k( 142) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0026882 k( 143) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0026882 k( 144) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0026882 k( 145) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0026882 k( 146) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0026882 k( 147) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0026882 k( 148) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0026882 k( 149) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0026882 k( 150) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0026882 k( 151) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0026882 k( 152) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0026882 k( 153) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0026882 k( 154) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0026882 k( 155) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0026882 k( 156) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0026882 k( 157) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0026882 k( 158) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0026882 k( 159) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0026882 k( 160) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0026882 k( 161) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0026882 k( 162) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0026882 k( 163) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0026882 k( 164) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0026882 k( 165) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0026882 k( 166) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0026882 k( 170) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0026882 k( 171) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0026882 k( 172) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0026882 k( 173) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0026882 k( 174) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0026882 k( 175) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0026882 k( 176) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0026882 k( 177) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0026882 k( 178) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0026882 k( 179) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0026882 k( 180) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0026882 k( 181) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0026882 k( 182) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0026882 k( 183) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0026882 k( 184) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0026882 k( 185) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0026882 k( 186) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0026882 k( 187) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0026882 k( 188) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0026882 k( 189) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0026882 k( 190) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0026882 k( 191) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0026882 k( 192) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0026882 k( 193) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0026882 k( 194) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0026882 k( 195) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0026882 k( 196) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0026882 k( 197) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0026882 k( 198) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0026882 k( 199) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0026882 k( 200) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0026882 k( 201) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0026882 k( 202) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0026882 k( 203) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0026882 k( 204) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0026882 k( 205) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0026882 k( 206) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0026882 k( 207) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0026882 k( 208) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0026882 k( 209) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0026882 k( 210) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0026882 k( 211) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0026882 k( 212) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0026882 k( 213) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0026882 k( 214) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0026882 k( 215) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0026882 k( 216) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0026882 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 219) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026882 k( 220) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026882 k( 221) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026882 k( 222) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026882 k( 223) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026882 k( 224) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026882 k( 225) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026882 k( 226) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026882 k( 227) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026882 k( 228) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026882 k( 229) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026882 k( 230) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026882 k( 231) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026882 k( 232) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026882 k( 233) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026882 k( 234) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026882 k( 235) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026882 k( 236) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026882 k( 237) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026882 k( 238) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026882 k( 239) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026882 k( 240) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026882 k( 241) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026882 k( 242) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026882 k( 243) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026882 k( 244) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026882 k( 245) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026882 k( 246) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026882 k( 247) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026882 k( 248) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026882 k( 249) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026882 k( 250) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026882 k( 251) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026882 k( 252) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026882 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 254) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 255) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0026882 k( 256) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0026882 k( 257) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0026882 k( 258) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0026882 k( 259) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0026882 k( 260) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0026882 k( 261) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0026882 k( 262) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0026882 k( 263) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0026882 k( 264) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0026882 k( 265) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0026882 k( 266) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0026882 k( 267) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0026882 k( 268) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0026882 k( 269) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0026882 k( 270) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0026882 k( 271) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0026882 k( 272) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0026882 k( 273) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0026882 k( 274) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 275) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 276) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0026882 k( 277) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0026882 k( 278) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0026882 k( 279) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0026882 k( 280) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0026882 k( 281) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0026882 k( 282) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0026882 k( 283) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0026882 k( 284) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0026882 k( 285) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0026882 k( 286) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0026882 k( 287) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0026882 k( 288) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0026882 k( 289) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0026882 k( 290) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0026882 k( 291) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0026882 k( 292) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0026882 k( 293) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0026882 k( 294) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0026882 k( 295) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0026882 k( 296) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0026882 k( 297) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0026882 k( 298) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0026882 k( 299) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0026882 k( 300) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0026882 k( 301) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0026882 k( 302) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0026882 k( 303) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0026882 k( 304) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0026882 k( 305) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0026882 k( 306) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0026882 k( 307) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0026882 k( 308) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0026882 k( 309) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0026882 k( 310) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0026882 k( 311) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0026882 k( 312) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0026882 k( 313) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0026882 k( 314) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0026882 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 316) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 317) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026882 k( 318) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026882 k( 319) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026882 k( 320) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026882 k( 321) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026882 k( 322) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026882 k( 323) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026882 k( 324) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026882 k( 325) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026882 k( 326) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026882 k( 327) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026882 k( 328) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026882 k( 329) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026882 k( 330) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026882 k( 331) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026882 k( 332) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026882 k( 333) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026882 k( 334) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026882 k( 335) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026882 k( 336) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026882 k( 337) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026882 k( 338) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026882 k( 339) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026882 k( 340) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026882 k( 341) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026882 k( 342) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026882 k( 343) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026882 k( 344) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026882 k( 345) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026882 k( 346) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026882 k( 347) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026882 k( 348) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026882 k( 349) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026882 k( 350) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026882 k( 351) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 352) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 353) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0026882 k( 354) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0026882 k( 355) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0026882 k( 356) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0026882 k( 357) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0026882 k( 358) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0026882 k( 359) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0026882 k( 360) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0026882 k( 361) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0026882 k( 362) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0026882 k( 363) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0026882 k( 364) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0026882 k( 365) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0026882 k( 366) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0026882 k( 367) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0026882 k( 368) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0026882 k( 369) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0026882 k( 370) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0026882 k( 371) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0026882 k( 372) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0026882 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0000000 0.0267857), wk = 0.0026882 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0000000 0.0446429), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0026882 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0026882 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0026882 k( 10) = ( 0.0803571 0.0000000 0.0803571), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0026882 k( 12) = ( 0.0982143 0.0000000 0.0982143), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0000000 0.1160714), wk = 0.0026882 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0026882 k( 16) = ( 0.1339286 0.0000000 0.1339286), wk = 0.0026882 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0026882 k( 18) = ( 0.1517857 0.0000000 0.1517857), wk = 0.0026882 k( 19) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0026882 k( 20) = ( 0.1696429 0.0000000 0.1696429), wk = 0.0026882 k( 21) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0026882 k( 22) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0026882 k( 23) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0026882 k( 24) = ( 0.2053571 -0.0000000 0.2053571), wk = 0.0026882 k( 25) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0026882 k( 26) = ( 0.2232143 0.0000000 0.2232143), wk = 0.0026882 k( 27) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0026882 k( 28) = ( 0.2410714 0.0000000 0.2410714), wk = 0.0026882 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0026882 k( 30) = ( 0.2589286 0.0000000 0.2589286), wk = 0.0026882 k( 31) = ( 0.2678571 0.0000000 0.2678571), wk = 0.0026882 k( 32) = ( 0.2767857 0.0000000 0.2767857), wk = 0.0026882 k( 33) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0026882 k( 34) = ( 0.2946429 -0.0000000 0.2946429), wk = 0.0026882 k( 35) = ( 0.3035714 -0.0000000 0.3035714), wk = 0.0026882 k( 36) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0026882 k( 37) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0026882 k( 38) = ( 0.3303571 -0.0000000 0.3303571), wk = 0.0026882 k( 39) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0026882 k( 40) = ( 0.3482143 -0.0000000 0.3482143), wk = 0.0026882 k( 41) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0026882 k( 42) = ( 0.3660714 -0.0000000 0.3660714), wk = 0.0026882 k( 43) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0026882 k( 44) = ( 0.3839286 -0.0000000 0.3839286), wk = 0.0026882 k( 45) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0026882 k( 46) = ( 0.4017857 -0.0000000 0.4017857), wk = 0.0026882 k( 47) = ( 0.4107143 0.0000000 0.4107143), wk = 0.0026882 k( 48) = ( 0.4196429 0.0000000 0.4196429), wk = 0.0026882 k( 49) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0026882 k( 50) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0026882 k( 51) = ( 0.4464286 0.0000000 0.4464286), wk = 0.0026882 k( 52) = ( 0.4553571 -0.0000000 0.4553571), wk = 0.0026882 k( 53) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0026882 k( 54) = ( 0.4732143 0.0000000 0.4732143), wk = 0.0026882 k( 55) = ( 0.4821429 0.0000000 0.4821429), wk = 0.0026882 k( 56) = ( 0.4910714 -0.0000000 0.4910714), wk = 0.0026882 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0026882 k( 60) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0026882 k( 61) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0026882 k( 62) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0026882 k( 63) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0026882 k( 64) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0026882 k( 65) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0026882 k( 66) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0026882 k( 67) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0026882 k( 68) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0026882 k( 69) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0026882 k( 70) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0026882 k( 71) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0026882 k( 72) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0026882 k( 73) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0026882 k( 74) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0026882 k( 75) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0026882 k( 76) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0026882 k( 77) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0026882 k( 78) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0026882 k( 79) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0026882 k( 80) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0026882 k( 81) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0026882 k( 82) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0026882 k( 83) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0026882 k( 84) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0026882 k( 85) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0026882 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 87) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 88) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0026882 k( 89) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0026882 k( 90) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0026882 k( 91) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0026882 k( 92) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0026882 k( 93) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0026882 k( 94) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0026882 k( 95) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0026882 k( 96) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0026882 k( 97) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0026882 k( 98) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0026882 k( 99) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0026882 k( 100) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0026882 k( 101) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0026882 k( 102) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0026882 k( 103) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0026882 k( 104) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0026882 k( 105) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0026882 k( 106) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0026882 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 108) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 109) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0026882 k( 110) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0026882 k( 111) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0026882 k( 112) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0026882 k( 113) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0026882 k( 114) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0026882 k( 115) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0026882 k( 116) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0026882 k( 117) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0026882 k( 118) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0026882 k( 119) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0026882 k( 120) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0026882 k( 121) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0026882 k( 122) = ( 0.2860169 0.2860170 0.5720339), wk = 0.0026882 k( 123) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0026882 k( 124) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0026882 k( 125) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0026882 k( 126) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0026882 k( 127) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0026882 k( 128) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0026882 k( 129) = ( 0.2415254 0.2415254 0.4830508), wk = 0.0026882 k( 130) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0026882 k( 131) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0026882 k( 132) = ( 0.2224576 0.2224576 0.4449153), wk = 0.0026882 k( 133) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0026882 k( 134) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0026882 k( 135) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0026882 k( 136) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0026882 k( 137) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0026882 k( 138) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0026882 k( 139) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0026882 k( 140) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0026882 k( 141) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0026882 k( 142) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0026882 k( 143) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0026882 k( 144) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0026882 k( 145) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0026882 k( 146) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0026882 k( 147) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0026882 k( 148) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0026882 k( 149) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0026882 k( 150) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0026882 k( 151) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0026882 k( 152) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0026882 k( 153) = ( 0.0889830 0.0889831 0.1779661), wk = 0.0026882 k( 154) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0026882 k( 155) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0026882 k( 156) = ( 0.0699152 0.0699153 0.1398305), wk = 0.0026882 k( 157) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0026882 k( 158) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0026882 k( 159) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0026882 k( 160) = ( 0.0444915 0.0444915 0.0889831), wk = 0.0026882 k( 161) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0026882 k( 162) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0026882 k( 163) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0026882 k( 164) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0026882 k( 165) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0026882 k( 166) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0026882 k( 170) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0026882 k( 171) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0026882 k( 172) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0026882 k( 173) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0026882 k( 174) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0026882 k( 175) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026882 k( 176) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0026882 k( 177) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0026882 k( 178) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0026882 k( 179) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0026882 k( 180) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0026882 k( 181) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0026882 k( 182) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026882 k( 183) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0026882 k( 184) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0026882 k( 185) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0026882 k( 186) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0026882 k( 187) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0026882 k( 188) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0026882 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026882 k( 190) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0026882 k( 191) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0026882 k( 192) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0026882 k( 193) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0026882 k( 194) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0026882 k( 195) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0026882 k( 196) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026882 k( 197) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0026882 k( 198) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0026882 k( 199) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0026882 k( 200) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0026882 k( 201) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0026882 k( 202) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0026882 k( 203) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026882 k( 204) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0026882 k( 205) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0026882 k( 206) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0026882 k( 207) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0026882 k( 208) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0026882 k( 209) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0026882 k( 210) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026882 k( 211) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0026882 k( 212) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0026882 k( 213) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0026882 k( 214) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0026882 k( 215) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0026882 k( 216) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0026882 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026882 k( 220) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026882 k( 221) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026882 k( 222) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026882 k( 223) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026882 k( 224) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026882 k( 225) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026882 k( 226) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026882 k( 227) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026882 k( 228) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026882 k( 229) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026882 k( 230) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026882 k( 231) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026882 k( 232) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026882 k( 233) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026882 k( 234) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026882 k( 235) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026882 k( 236) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026882 k( 237) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026882 k( 238) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026882 k( 239) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026882 k( 240) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026882 k( 241) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026882 k( 242) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026882 k( 243) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026882 k( 244) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026882 k( 245) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026882 k( 246) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026882 k( 247) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026882 k( 248) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026882 k( 249) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026882 k( 250) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026882 k( 251) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026882 k( 252) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026882 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 254) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 255) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0026882 k( 256) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0026882 k( 257) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0026882 k( 258) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0026882 k( 259) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0026882 k( 260) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0026882 k( 261) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0026882 k( 262) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0026882 k( 263) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0026882 k( 264) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0026882 k( 265) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0026882 k( 266) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0026882 k( 267) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0026882 k( 268) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0026882 k( 269) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0026882 k( 270) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0026882 k( 271) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0026882 k( 272) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0026882 k( 273) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0026882 k( 274) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 275) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 276) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0026882 k( 277) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0026882 k( 278) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0026882 k( 279) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0026882 k( 280) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0026882 k( 281) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0026882 k( 282) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0026882 k( 283) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0026882 k( 284) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0026882 k( 285) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0026882 k( 286) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0026882 k( 287) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0026882 k( 288) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0026882 k( 289) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0026882 k( 290) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0026882 k( 291) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0026882 k( 292) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0026882 k( 293) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0026882 k( 294) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0026882 k( 295) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0026882 k( 296) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0026882 k( 297) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0026882 k( 298) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0026882 k( 299) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0026882 k( 300) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0026882 k( 301) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0026882 k( 302) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0026882 k( 303) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0026882 k( 304) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0026882 k( 305) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0026882 k( 306) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0026882 k( 307) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0026882 k( 308) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0026882 k( 309) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0026882 k( 310) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0026882 k( 311) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0026882 k( 312) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0026882 k( 313) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0026882 k( 314) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0026882 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 317) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026882 k( 318) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026882 k( 319) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026882 k( 320) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026882 k( 321) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026882 k( 322) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026882 k( 323) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026882 k( 324) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026882 k( 325) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026882 k( 326) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026882 k( 327) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026882 k( 328) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026882 k( 329) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026882 k( 330) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026882 k( 331) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026882 k( 332) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026882 k( 333) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026882 k( 334) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026882 k( 335) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026882 k( 336) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026882 k( 337) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026882 k( 338) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026882 k( 339) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026882 k( 340) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026882 k( 341) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026882 k( 342) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026882 k( 343) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026882 k( 344) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026882 k( 345) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026882 k( 346) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026882 k( 347) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026882 k( 348) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026882 k( 349) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026882 k( 350) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026882 k( 351) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 352) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 353) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0026882 k( 354) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0026882 k( 355) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0026882 k( 356) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0026882 k( 357) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0026882 k( 358) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0026882 k( 359) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0026882 k( 360) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0026882 k( 361) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0026882 k( 362) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0026882 k( 363) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0026882 k( 364) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0026882 k( 365) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0026882 k( 366) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0026882 k( 367) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0026882 k( 368) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0026882 k( 369) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0026882 k( 370) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0026882 k( 371) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0026882 k( 372) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 Dense grid: 6375 G-vectors FFT dimensions: ( 25, 25, 25) Smooth grid: 3695 G-vectors FFT dimensions: ( 24, 24, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 24, 16) NL pseudopotentials 0.01 Mb ( 12, 28) Each V/rho on FFT grid 0.01 Mb ( 625) Each G-vector array 0.00 Mb ( 177) G-vector shells 0.00 Mb ( 81) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.02 Mb ( 24, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./Ge.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 1.0 secs Computing kpt #: 2 total cpu time spent up to now is 1.0 secs Computing kpt #: 3 total cpu time spent up to now is 1.0 secs Computing kpt #: 4 total cpu time spent up to now is 1.1 secs Computing kpt #: 5 total cpu time spent up to now is 1.1 secs Computing kpt #: 6 total cpu time spent up to now is 1.1 secs Computing kpt #: 7 total cpu time spent up to now is 1.2 secs Computing kpt #: 8 total cpu time spent up to now is 1.2 secs Computing kpt #: 9 total cpu time spent up to now is 1.2 secs Computing kpt #: 10 total cpu time spent up to now is 1.2 secs Computing kpt #: 11 total cpu time spent up to now is 1.3 secs Computing kpt #: 12 total cpu time spent up to now is 1.3 secs Computing kpt #: 13 total cpu time spent up to now is 1.3 secs Computing kpt #: 14 total cpu time spent up to now is 1.4 secs Computing kpt #: 15 total cpu time spent up to now is 1.4 secs Computing kpt #: 16 total cpu time spent up to now is 1.4 secs Computing kpt #: 17 total cpu time spent up to now is 1.5 secs Computing kpt #: 18 total cpu time spent up to now is 1.5 secs Computing kpt #: 19 total cpu time spent up to now is 1.5 secs Computing kpt #: 20 total cpu time spent up to now is 1.5 secs Computing kpt #: 21 total cpu time spent up to now is 1.6 secs Computing kpt #: 22 total cpu time spent up to now is 1.6 secs Computing kpt #: 23 total cpu time spent up to now is 1.6 secs Computing kpt #: 24 total cpu time spent up to now is 1.7 secs Computing kpt #: 25 total cpu time spent up to now is 1.7 secs Computing kpt #: 26 total cpu time spent up to now is 1.7 secs Computing kpt #: 27 total cpu time spent up to now is 1.8 secs Computing kpt #: 28 total cpu time spent up to now is 1.8 secs Computing kpt #: 29 total cpu time spent up to now is 1.8 secs Computing kpt #: 30 total cpu time spent up to now is 1.9 secs Computing kpt #: 31 total cpu time spent up to now is 1.9 secs Computing kpt #: 32 total cpu time spent up to now is 1.9 secs Computing kpt #: 33 total cpu time spent up to now is 2.0 secs Computing kpt #: 34 total cpu time spent up to now is 2.0 secs Computing kpt #: 35 total cpu time spent up to now is 2.0 secs Computing kpt #: 36 total cpu time spent up to now is 2.1 secs Computing kpt #: 37 total cpu time spent up to now is 2.1 secs Computing kpt #: 38 total cpu time spent up to now is 2.1 secs Computing kpt #: 39 total cpu time spent up to now is 2.1 secs Computing kpt #: 40 total cpu time spent up to now is 2.2 secs Computing kpt #: 41 total cpu time spent up to now is 2.2 secs Computing kpt #: 42 total cpu time spent up to now is 2.3 secs Computing kpt #: 43 total cpu time spent up to now is 2.3 secs Computing kpt #: 44 total cpu time spent up to now is 2.3 secs Computing kpt #: 45 total cpu time spent up to now is 2.4 secs Computing kpt #: 46 total cpu time spent up to now is 2.4 secs Computing kpt #: 47 total cpu time spent up to now is 2.4 secs Computing kpt #: 48 total cpu time spent up to now is 2.5 secs Computing kpt #: 49 total cpu time spent up to now is 2.5 secs Computing kpt #: 50 total cpu time spent up to now is 2.5 secs Computing kpt #: 51 total cpu time spent up to now is 2.6 secs Computing kpt #: 52 total cpu time spent up to now is 2.6 secs Computing kpt #: 53 total cpu time spent up to now is 2.6 secs Computing kpt #: 54 total cpu time spent up to now is 2.7 secs Computing kpt #: 55 total cpu time spent up to now is 2.7 secs Computing kpt #: 56 total cpu time spent up to now is 2.7 secs Computing kpt #: 57 total cpu time spent up to now is 2.8 secs Computing kpt #: 58 total cpu time spent up to now is 2.8 secs Computing kpt #: 59 total cpu time spent up to now is 2.9 secs Computing kpt #: 60 total cpu time spent up to now is 2.9 secs Computing kpt #: 61 total cpu time spent up to now is 2.9 secs Computing kpt #: 62 total cpu time spent up to now is 3.0 secs Computing kpt #: 63 total cpu time spent up to now is 3.0 secs Computing kpt #: 64 total cpu time spent up to now is 3.1 secs Computing kpt #: 65 total cpu time spent up to now is 3.1 secs Computing kpt #: 66 total cpu time spent up to now is 3.1 secs Computing kpt #: 67 total cpu time spent up to now is 3.2 secs Computing kpt #: 68 total cpu time spent up to now is 3.2 secs Computing kpt #: 69 total cpu time spent up to now is 3.3 secs Computing kpt #: 70 total cpu time spent up to now is 3.3 secs Computing kpt #: 71 total cpu time spent up to now is 3.4 secs Computing kpt #: 72 total cpu time spent up to now is 3.4 secs Computing kpt #: 73 total cpu time spent up to now is 3.4 secs Computing kpt #: 74 total cpu time spent up to now is 3.5 secs Computing kpt #: 75 total cpu time spent up to now is 3.5 secs Computing kpt #: 76 total cpu time spent up to now is 3.6 secs Computing kpt #: 77 total cpu time spent up to now is 3.6 secs Computing kpt #: 78 total cpu time spent up to now is 3.6 secs Computing kpt #: 79 total cpu time spent up to now is 3.7 secs Computing kpt #: 80 total cpu time spent up to now is 3.7 secs Computing kpt #: 81 total cpu time spent up to now is 3.7 secs Computing kpt #: 82 total cpu time spent up to now is 3.8 secs Computing kpt #: 83 total cpu time spent up to now is 3.8 secs Computing kpt #: 84 total cpu time spent up to now is 3.9 secs Computing kpt #: 85 total cpu time spent up to now is 3.9 secs Computing kpt #: 86 total cpu time spent up to now is 3.9 secs Computing kpt #: 87 total cpu time spent up to now is 4.0 secs Computing kpt #: 88 total cpu time spent up to now is 4.0 secs Computing kpt #: 89 total cpu time spent up to now is 4.0 secs Computing kpt #: 90 total cpu time spent up to now is 4.1 secs Computing kpt #: 91 total cpu time spent up to now is 4.1 secs Computing kpt #: 92 total cpu time spent up to now is 4.1 secs Computing kpt #: 93 total cpu time spent up to now is 4.2 secs Computing kpt #: 94 total cpu time spent up to now is 4.2 secs Computing kpt #: 95 total cpu time spent up to now is 4.3 secs Computing kpt #: 96 total cpu time spent up to now is 4.3 secs Computing kpt #: 97 total cpu time spent up to now is 4.3 secs Computing kpt #: 98 total cpu time spent up to now is 4.4 secs Computing kpt #: 99 total cpu time spent up to now is 4.4 secs Computing kpt #: 100 total cpu time spent up to now is 4.4 secs Computing kpt #: 101 total cpu time spent up to now is 4.5 secs Computing kpt #: 102 total cpu time spent up to now is 4.5 secs Computing kpt #: 103 total cpu time spent up to now is 4.6 secs Computing kpt #: 104 total cpu time spent up to now is 4.6 secs Computing kpt #: 105 total cpu time spent up to now is 4.6 secs Computing kpt #: 106 total cpu time spent up to now is 4.7 secs Computing kpt #: 107 total cpu time spent up to now is 4.7 secs Computing kpt #: 108 total cpu time spent up to now is 4.8 secs Computing kpt #: 109 total cpu time spent up to now is 4.8 secs Computing kpt #: 110 total cpu time spent up to now is 4.8 secs Computing kpt #: 111 total cpu time spent up to now is 4.9 secs Computing kpt #: 112 total cpu time spent up to now is 4.9 secs Computing kpt #: 113 total cpu time spent up to now is 5.0 secs Computing kpt #: 114 total cpu time spent up to now is 5.0 secs Computing kpt #: 115 total cpu time spent up to now is 5.0 secs Computing kpt #: 116 total cpu time spent up to now is 5.1 secs Computing kpt #: 117 total cpu time spent up to now is 5.1 secs Computing kpt #: 118 total cpu time spent up to now is 5.2 secs Computing kpt #: 119 total cpu time spent up to now is 5.2 secs Computing kpt #: 120 total cpu time spent up to now is 5.2 secs Computing kpt #: 121 total cpu time spent up to now is 5.3 secs Computing kpt #: 122 total cpu time spent up to now is 5.3 secs Computing kpt #: 123 total cpu time spent up to now is 5.4 secs Computing kpt #: 124 total cpu time spent up to now is 5.4 secs Computing kpt #: 125 total cpu time spent up to now is 5.4 secs Computing kpt #: 126 total cpu time spent up to now is 5.5 secs Computing kpt #: 127 total cpu time spent up to now is 5.5 secs Computing kpt #: 128 total cpu time spent up to now is 5.5 secs Computing kpt #: 129 total cpu time spent up to now is 5.6 secs Computing kpt #: 130 total cpu time spent up to now is 5.6 secs Computing kpt #: 131 total cpu time spent up to now is 5.7 secs Computing kpt #: 132 total cpu time spent up to now is 5.7 secs Computing kpt #: 133 total cpu time spent up to now is 5.7 secs Computing kpt #: 134 total cpu time spent up to now is 5.8 secs Computing kpt #: 135 total cpu time spent up to now is 5.8 secs Computing kpt #: 136 total cpu time spent up to now is 5.8 secs Computing kpt #: 137 total cpu time spent up to now is 5.9 secs Computing kpt #: 138 total cpu time spent up to now is 5.9 secs Computing kpt #: 139 total cpu time spent up to now is 5.9 secs Computing kpt #: 140 total cpu time spent up to now is 6.0 secs Computing kpt #: 141 total cpu time spent up to now is 6.0 secs Computing kpt #: 142 total cpu time spent up to now is 6.0 secs Computing kpt #: 143 total cpu time spent up to now is 6.1 secs Computing kpt #: 144 total cpu time spent up to now is 6.1 secs Computing kpt #: 145 total cpu time spent up to now is 6.2 secs Computing kpt #: 146 total cpu time spent up to now is 6.2 secs Computing kpt #: 147 total cpu time spent up to now is 6.2 secs Computing kpt #: 148 total cpu time spent up to now is 6.3 secs Computing kpt #: 149 total cpu time spent up to now is 6.3 secs Computing kpt #: 150 total cpu time spent up to now is 6.3 secs Computing kpt #: 151 total cpu time spent up to now is 6.4 secs Computing kpt #: 152 total cpu time spent up to now is 6.4 secs Computing kpt #: 153 total cpu time spent up to now is 6.4 secs Computing kpt #: 154 total cpu time spent up to now is 6.5 secs Computing kpt #: 155 total cpu time spent up to now is 6.5 secs Computing kpt #: 156 total cpu time spent up to now is 6.5 secs Computing kpt #: 157 total cpu time spent up to now is 6.6 secs Computing kpt #: 158 total cpu time spent up to now is 6.6 secs Computing kpt #: 159 total cpu time spent up to now is 6.6 secs Computing kpt #: 160 total cpu time spent up to now is 6.7 secs Computing kpt #: 161 total cpu time spent up to now is 6.7 secs Computing kpt #: 162 total cpu time spent up to now is 6.7 secs Computing kpt #: 163 total cpu time spent up to now is 6.7 secs Computing kpt #: 164 total cpu time spent up to now is 6.8 secs Computing kpt #: 165 total cpu time spent up to now is 6.8 secs Computing kpt #: 166 total cpu time spent up to now is 6.8 secs Computing kpt #: 167 total cpu time spent up to now is 6.9 secs Computing kpt #: 168 total cpu time spent up to now is 6.9 secs Computing kpt #: 169 total cpu time spent up to now is 6.9 secs Computing kpt #: 170 total cpu time spent up to now is 6.9 secs Computing kpt #: 171 total cpu time spent up to now is 7.0 secs Computing kpt #: 172 total cpu time spent up to now is 7.0 secs Computing kpt #: 173 total cpu time spent up to now is 7.0 secs Computing kpt #: 174 total cpu time spent up to now is 7.1 secs Computing kpt #: 175 total cpu time spent up to now is 7.1 secs Computing kpt #: 176 total cpu time spent up to now is 7.1 secs Computing kpt #: 177 total cpu time spent up to now is 7.2 secs Computing kpt #: 178 total cpu time spent up to now is 7.2 secs Computing kpt #: 179 total cpu time spent up to now is 7.2 secs Computing kpt #: 180 total cpu time spent up to now is 7.3 secs Computing kpt #: 181 total cpu time spent up to now is 7.3 secs Computing kpt #: 182 total cpu time spent up to now is 7.3 secs Computing kpt #: 183 total cpu time spent up to now is 7.4 secs Computing kpt #: 184 total cpu time spent up to now is 7.4 secs Computing kpt #: 185 total cpu time spent up to now is 7.4 secs Computing kpt #: 186 total cpu time spent up to now is 7.5 secs Computing kpt #: 187 total cpu time spent up to now is 7.5 secs Computing kpt #: 188 total cpu time spent up to now is 7.5 secs Computing kpt #: 189 total cpu time spent up to now is 7.6 secs Computing kpt #: 190 total cpu time spent up to now is 7.6 secs Computing kpt #: 191 total cpu time spent up to now is 7.6 secs Computing kpt #: 192 total cpu time spent up to now is 7.7 secs Computing kpt #: 193 total cpu time spent up to now is 7.7 secs Computing kpt #: 194 total cpu time spent up to now is 7.7 secs Computing kpt #: 195 total cpu time spent up to now is 7.8 secs Computing kpt #: 196 total cpu time spent up to now is 7.8 secs Computing kpt #: 197 total cpu time spent up to now is 7.9 secs Computing kpt #: 198 total cpu time spent up to now is 7.9 secs Computing kpt #: 199 total cpu time spent up to now is 7.9 secs Computing kpt #: 200 total cpu time spent up to now is 8.0 secs Computing kpt #: 201 total cpu time spent up to now is 8.0 secs Computing kpt #: 202 total cpu time spent up to now is 8.1 secs Computing kpt #: 203 total cpu time spent up to now is 8.1 secs Computing kpt #: 204 total cpu time spent up to now is 8.2 secs Computing kpt #: 205 total cpu time spent up to now is 8.2 secs Computing kpt #: 206 total cpu time spent up to now is 8.2 secs Computing kpt #: 207 total cpu time spent up to now is 8.3 secs Computing kpt #: 208 total cpu time spent up to now is 8.3 secs Computing kpt #: 209 total cpu time spent up to now is 8.4 secs Computing kpt #: 210 total cpu time spent up to now is 8.4 secs Computing kpt #: 211 total cpu time spent up to now is 8.5 secs Computing kpt #: 212 total cpu time spent up to now is 8.5 secs Computing kpt #: 213 total cpu time spent up to now is 8.5 secs Computing kpt #: 214 total cpu time spent up to now is 8.6 secs Computing kpt #: 215 total cpu time spent up to now is 8.6 secs Computing kpt #: 216 total cpu time spent up to now is 8.7 secs Computing kpt #: 217 total cpu time spent up to now is 8.7 secs Computing kpt #: 218 total cpu time spent up to now is 8.8 secs Computing kpt #: 219 total cpu time spent up to now is 8.8 secs Computing kpt #: 220 total cpu time spent up to now is 8.8 secs Computing kpt #: 221 total cpu time spent up to now is 8.9 secs Computing kpt #: 222 total cpu time spent up to now is 8.9 secs Computing kpt #: 223 total cpu time spent up to now is 9.0 secs Computing kpt #: 224 total cpu time spent up to now is 9.0 secs Computing kpt #: 225 total cpu time spent up to now is 9.0 secs Computing kpt #: 226 total cpu time spent up to now is 9.1 secs Computing kpt #: 227 total cpu time spent up to now is 9.1 secs Computing kpt #: 228 total cpu time spent up to now is 9.2 secs Computing kpt #: 229 total cpu time spent up to now is 9.2 secs Computing kpt #: 230 total cpu time spent up to now is 9.2 secs Computing kpt #: 231 total cpu time spent up to now is 9.3 secs Computing kpt #: 232 total cpu time spent up to now is 9.3 secs Computing kpt #: 233 total cpu time spent up to now is 9.4 secs Computing kpt #: 234 total cpu time spent up to now is 9.4 secs Computing kpt #: 235 total cpu time spent up to now is 9.5 secs Computing kpt #: 236 total cpu time spent up to now is 9.5 secs Computing kpt #: 237 total cpu time spent up to now is 9.6 secs Computing kpt #: 238 total cpu time spent up to now is 9.6 secs Computing kpt #: 239 total cpu time spent up to now is 9.7 secs Computing kpt #: 240 total cpu time spent up to now is 9.7 secs Computing kpt #: 241 total cpu time spent up to now is 9.7 secs Computing kpt #: 242 total cpu time spent up to now is 9.8 secs Computing kpt #: 243 total cpu time spent up to now is 9.8 secs Computing kpt #: 244 total cpu time spent up to now is 9.9 secs Computing kpt #: 245 total cpu time spent up to now is 9.9 secs Computing kpt #: 246 total cpu time spent up to now is 10.0 secs Computing kpt #: 247 total cpu time spent up to now is 10.0 secs Computing kpt #: 248 total cpu time spent up to now is 10.0 secs Computing kpt #: 249 total cpu time spent up to now is 10.1 secs Computing kpt #: 250 total cpu time spent up to now is 10.1 secs Computing kpt #: 251 total cpu time spent up to now is 10.2 secs Computing kpt #: 252 total cpu time spent up to now is 10.2 secs Computing kpt #: 253 total cpu time spent up to now is 10.2 secs Computing kpt #: 254 total cpu time spent up to now is 10.3 secs Computing kpt #: 255 total cpu time spent up to now is 10.3 secs Computing kpt #: 256 total cpu time spent up to now is 10.4 secs Computing kpt #: 257 total cpu time spent up to now is 10.4 secs Computing kpt #: 258 total cpu time spent up to now is 10.4 secs Computing kpt #: 259 total cpu time spent up to now is 10.5 secs Computing kpt #: 260 total cpu time spent up to now is 10.5 secs Computing kpt #: 261 total cpu time spent up to now is 10.6 secs Computing kpt #: 262 total cpu time spent up to now is 10.6 secs Computing kpt #: 263 total cpu time spent up to now is 10.6 secs Computing kpt #: 264 total cpu time spent up to now is 10.7 secs Computing kpt #: 265 total cpu time spent up to now is 10.7 secs Computing kpt #: 266 total cpu time spent up to now is 10.8 secs Computing kpt #: 267 total cpu time spent up to now is 10.8 secs Computing kpt #: 268 total cpu time spent up to now is 10.8 secs Computing kpt #: 269 total cpu time spent up to now is 10.9 secs Computing kpt #: 270 total cpu time spent up to now is 10.9 secs Computing kpt #: 271 total cpu time spent up to now is 10.9 secs Computing kpt #: 272 total cpu time spent up to now is 11.0 secs Computing kpt #: 273 total cpu time spent up to now is 11.0 secs Computing kpt #: 274 total cpu time spent up to now is 11.0 secs Computing kpt #: 275 total cpu time spent up to now is 11.1 secs Computing kpt #: 276 total cpu time spent up to now is 11.1 secs Computing kpt #: 277 total cpu time spent up to now is 11.2 secs Computing kpt #: 278 total cpu time spent up to now is 11.2 secs Computing kpt #: 279 total cpu time spent up to now is 11.2 secs Computing kpt #: 280 total cpu time spent up to now is 11.3 secs Computing kpt #: 281 total cpu time spent up to now is 11.3 secs Computing kpt #: 282 total cpu time spent up to now is 11.3 secs Computing kpt #: 283 total cpu time spent up to now is 11.4 secs Computing kpt #: 284 total cpu time spent up to now is 11.4 secs Computing kpt #: 285 total cpu time spent up to now is 11.5 secs Computing kpt #: 286 total cpu time spent up to now is 11.5 secs Computing kpt #: 287 total cpu time spent up to now is 11.5 secs Computing kpt #: 288 total cpu time spent up to now is 11.6 secs Computing kpt #: 289 total cpu time spent up to now is 11.6 secs Computing kpt #: 290 total cpu time spent up to now is 11.7 secs Computing kpt #: 291 total cpu time spent up to now is 11.7 secs Computing kpt #: 292 total cpu time spent up to now is 11.8 secs Computing kpt #: 293 total cpu time spent up to now is 11.8 secs Computing kpt #: 294 total cpu time spent up to now is 11.8 secs Computing kpt #: 295 total cpu time spent up to now is 11.9 secs Computing kpt #: 296 total cpu time spent up to now is 11.9 secs Computing kpt #: 297 total cpu time spent up to now is 12.0 secs Computing kpt #: 298 total cpu time spent up to now is 12.0 secs Computing kpt #: 299 total cpu time spent up to now is 12.0 secs Computing kpt #: 300 total cpu time spent up to now is 12.1 secs Computing kpt #: 301 total cpu time spent up to now is 12.1 secs Computing kpt #: 302 total cpu time spent up to now is 12.2 secs Computing kpt #: 303 total cpu time spent up to now is 12.2 secs Computing kpt #: 304 total cpu time spent up to now is 12.3 secs Computing kpt #: 305 total cpu time spent up to now is 12.3 secs Computing kpt #: 306 total cpu time spent up to now is 12.3 secs Computing kpt #: 307 total cpu time spent up to now is 12.4 secs Computing kpt #: 308 total cpu time spent up to now is 12.4 secs Computing kpt #: 309 total cpu time spent up to now is 12.5 secs Computing kpt #: 310 total cpu time spent up to now is 12.5 secs Computing kpt #: 311 total cpu time spent up to now is 12.5 secs Computing kpt #: 312 total cpu time spent up to now is 12.6 secs Computing kpt #: 313 total cpu time spent up to now is 12.6 secs Computing kpt #: 314 total cpu time spent up to now is 12.7 secs Computing kpt #: 315 total cpu time spent up to now is 12.7 secs Computing kpt #: 316 total cpu time spent up to now is 12.7 secs Computing kpt #: 317 total cpu time spent up to now is 12.8 secs Computing kpt #: 318 total cpu time spent up to now is 12.8 secs Computing kpt #: 319 total cpu time spent up to now is 12.9 secs Computing kpt #: 320 total cpu time spent up to now is 12.9 secs Computing kpt #: 321 total cpu time spent up to now is 12.9 secs Computing kpt #: 322 total cpu time spent up to now is 13.0 secs Computing kpt #: 323 total cpu time spent up to now is 13.0 secs Computing kpt #: 324 total cpu time spent up to now is 13.1 secs Computing kpt #: 325 total cpu time spent up to now is 13.1 secs Computing kpt #: 326 total cpu time spent up to now is 13.1 secs Computing kpt #: 327 total cpu time spent up to now is 13.2 secs Computing kpt #: 328 total cpu time spent up to now is 13.2 secs Computing kpt #: 329 total cpu time spent up to now is 13.3 secs Computing kpt #: 330 total cpu time spent up to now is 13.3 secs Computing kpt #: 331 total cpu time spent up to now is 13.4 secs Computing kpt #: 332 total cpu time spent up to now is 13.4 secs Computing kpt #: 333 total cpu time spent up to now is 13.5 secs Computing kpt #: 334 total cpu time spent up to now is 13.6 secs Computing kpt #: 335 total cpu time spent up to now is 13.6 secs Computing kpt #: 336 total cpu time spent up to now is 13.7 secs Computing kpt #: 337 total cpu time spent up to now is 13.7 secs Computing kpt #: 338 total cpu time spent up to now is 13.8 secs Computing kpt #: 339 total cpu time spent up to now is 13.8 secs Computing kpt #: 340 total cpu time spent up to now is 13.9 secs Computing kpt #: 341 total cpu time spent up to now is 13.9 secs Computing kpt #: 342 total cpu time spent up to now is 14.0 secs Computing kpt #: 343 total cpu time spent up to now is 14.0 secs Computing kpt #: 344 total cpu time spent up to now is 14.0 secs Computing kpt #: 345 total cpu time spent up to now is 14.1 secs Computing kpt #: 346 total cpu time spent up to now is 14.1 secs Computing kpt #: 347 total cpu time spent up to now is 14.2 secs Computing kpt #: 348 total cpu time spent up to now is 14.2 secs Computing kpt #: 349 total cpu time spent up to now is 14.2 secs Computing kpt #: 350 total cpu time spent up to now is 14.3 secs Computing kpt #: 351 total cpu time spent up to now is 14.3 secs Computing kpt #: 352 total cpu time spent up to now is 14.4 secs Computing kpt #: 353 total cpu time spent up to now is 14.4 secs Computing kpt #: 354 total cpu time spent up to now is 14.4 secs Computing kpt #: 355 total cpu time spent up to now is 14.5 secs Computing kpt #: 356 total cpu time spent up to now is 14.5 secs Computing kpt #: 357 total cpu time spent up to now is 14.5 secs Computing kpt #: 358 total cpu time spent up to now is 14.6 secs Computing kpt #: 359 total cpu time spent up to now is 14.6 secs Computing kpt #: 360 total cpu time spent up to now is 14.7 secs Computing kpt #: 361 total cpu time spent up to now is 14.7 secs Computing kpt #: 362 total cpu time spent up to now is 14.7 secs Computing kpt #: 363 total cpu time spent up to now is 14.8 secs Computing kpt #: 364 total cpu time spent up to now is 14.8 secs Computing kpt #: 365 total cpu time spent up to now is 14.8 secs Computing kpt #: 366 total cpu time spent up to now is 14.9 secs Computing kpt #: 367 total cpu time spent up to now is 14.9 secs Computing kpt #: 368 total cpu time spent up to now is 15.0 secs Computing kpt #: 369 total cpu time spent up to now is 15.0 secs Computing kpt #: 370 total cpu time spent up to now is 15.0 secs Computing kpt #: 371 total cpu time spent up to now is 15.1 secs Computing kpt #: 372 total cpu time spent up to now is 15.1 secs ethr = 1.25E-07, avg # of iterations = 9.4 total cpu time spent up to now is 15.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): -6.9309 -6.9309 5.6134 5.6134 5.9156 5.9156 5.9156 5.9156 5.9458 5.9458 8.2524 8.2524 8.4755 8.4755 8.4755 8.4755 k = 0.0089-0.0052 0.0073 ( 459 PWs) bands (ev): -6.9296 -6.9296 5.5780 5.5780 5.8044 5.8044 5.9083 5.9083 6.0859 6.0859 8.2571 8.2571 8.4754 8.4754 8.4835 8.4835 k = 0.0179-0.0103 0.0146 ( 459 PWs) bands (ev): -6.9257 -6.9257 5.4701 5.4701 5.7290 5.7290 5.8864 5.8864 6.2496 6.2496 8.2687 8.2687 8.4776 8.4776 8.5071 8.5071 k = 0.0268-0.0155 0.0219 ( 459 PWs) bands (ev): -6.9193 -6.9193 5.3206 5.3206 5.6791 5.6791 5.8511 5.8511 6.4169 6.4169 8.2793 8.2793 8.4893 8.4893 8.5459 8.5459 k = 0.0357-0.0206 0.0292 ( 459 PWs) bands (ev): -6.9102 -6.9102 5.1571 5.1571 5.6308 5.6308 5.8037 5.8037 6.5851 6.5851 8.2779 8.2779 8.5204 8.5204 8.5987 8.5987 k = 0.0446-0.0258 0.0365 ( 467 PWs) bands (ev): -6.8986 -6.8986 4.9880 4.9880 5.5762 5.5762 5.7449 5.7449 6.7530 6.7530 8.2595 8.2595 8.5741 8.5741 8.6635 8.6635 k = 0.0536-0.0309 0.0437 ( 467 PWs) bands (ev): -6.8844 -6.8844 4.8172 4.8172 5.5160 5.5160 5.6784 5.6784 6.9201 6.9201 8.2270 8.2270 8.6485 8.6485 8.7409 8.7409 k = 0.0625-0.0361 0.0510 ( 475 PWs) bands (ev): -6.8677 -6.8677 4.6453 4.6453 5.4491 5.4491 5.6042 5.6042 7.0857 7.0857 8.1835 8.1835 8.7364 8.7364 8.8272 8.8272 k = 0.0714-0.0412 0.0583 ( 475 PWs) bands (ev): -6.8483 -6.8483 4.4731 4.4731 5.3776 5.3776 5.5250 5.5250 7.2492 7.2492 8.1329 8.1329 8.8374 8.8374 8.9239 8.9239 k = 0.0804-0.0464 0.0656 ( 467 PWs) bands (ev): -6.8263 -6.8263 4.3010 4.3010 5.3032 5.3032 5.4430 5.4430 7.4104 7.4104 8.0768 8.0768 8.9486 8.9486 9.0295 9.0295 k = 0.0893-0.0515 0.0729 ( 467 PWs) bands (ev): -6.8017 -6.8017 4.1287 4.1287 5.2238 5.2238 5.3562 5.3562 7.5679 7.5679 8.0159 8.0159 9.0665 9.0665 9.1414 9.1414 k = 0.0982-0.0567 0.0802 ( 479 PWs) bands (ev): -6.7747 -6.7747 3.9560 3.9560 5.1407 5.1407 5.2659 5.2659 7.7211 7.7211 7.9505 7.9505 9.1898 9.1898 9.2583 9.2583 k = 0.1071-0.0619 0.0875 ( 479 PWs) bands (ev): -6.7451 -6.7451 3.7842 3.7842 5.0567 5.0567 5.1751 5.1751 7.8696 7.8696 7.8837 7.8837 9.3193 9.3193 9.3816 9.3816 k = 0.1161-0.0670 0.0948 ( 471 PWs) bands (ev): -6.7128 -6.7128 3.6130 3.6130 4.9724 4.9724 5.0844 5.0844 7.8152 7.8152 8.0127 8.0127 9.4545 9.4545 9.5105 9.5105 k = 0.1250-0.0722 0.1021 ( 471 PWs) bands (ev): -6.6781 -6.6781 3.4420 3.4420 4.8861 4.8861 4.9922 4.9922 7.7453 7.7453 8.1482 8.1482 9.5926 9.5926 9.6426 9.6426 k = 0.1339-0.0773 0.1094 ( 471 PWs) bands (ev): -6.6408 -6.6408 3.2713 3.2713 4.7995 4.7995 4.9000 4.9000 7.6747 7.6747 8.2753 8.2753 9.7341 9.7341 9.7783 9.7783 k = 0.1429-0.0825 0.1166 ( 471 PWs) bands (ev): -6.6010 -6.6010 3.1011 3.1011 4.7129 4.7129 4.8081 4.8081 7.6039 7.6039 8.3925 8.3925 9.8787 9.8787 9.9173 9.9173 k = 0.1518-0.0876 0.1239 ( 471 PWs) bands (ev): -6.5586 -6.5586 2.9314 2.9314 4.6266 4.6266 4.7169 4.7169 7.5332 7.5332 8.4983 8.4983 10.0258 10.0258 10.0590 10.0590 k = 0.1607-0.0928 0.1312 ( 471 PWs) bands (ev): -6.5138 -6.5138 2.7622 2.7622 4.5409 4.5409 4.6265 4.6265 7.4630 7.4630 8.5909 8.5909 10.1753 10.1753 10.2031 10.2031 k = 0.1696-0.0979 0.1385 ( 471 PWs) bands (ev): -6.4664 -6.4664 2.5935 2.5935 4.4560 4.4560 4.5373 4.5373 7.3936 7.3936 8.6687 8.6687 10.3268 10.3268 10.3495 10.3495 k = 0.1786-0.1031 0.1458 ( 471 PWs) bands (ev): -6.4165 -6.4165 2.4253 2.4253 4.3722 4.3722 4.4494 4.4494 7.3253 7.3253 8.7301 8.7301 10.4801 10.4801 10.4978 10.4978 k = 0.1875-0.1083 0.1531 ( 471 PWs) bands (ev): -6.3641 -6.3641 2.2577 2.2577 4.2896 4.2896 4.3629 4.3629 7.2583 7.2583 8.7742 8.7742 10.6350 10.6350 10.6478 10.6478 k = 0.1964-0.1134 0.1604 ( 472 PWs) bands (ev): -6.3092 -6.3092 2.0907 2.0907 4.2084 4.2084 4.2781 4.2781 7.1927 7.1927 8.8001 8.8001 10.7914 10.7914 10.7994 10.7994 k = 0.2054-0.1186 0.1677 ( 472 PWs) bands (ev): -6.2518 -6.2518 1.9243 1.9243 4.1287 4.1287 4.1949 4.1949 7.1288 7.1288 8.8079 8.8079 10.9490 10.9490 10.9523 10.9523 k = 0.2143-0.1237 0.1750 ( 472 PWs) bands (ev): -6.1920 -6.1920 1.7584 1.7584 4.0507 4.0507 4.1136 4.1136 7.0668 7.0668 8.7982 8.7982 11.1064 11.1064 11.1077 11.1077 k = 0.2232-0.1289 0.1823 ( 464 PWs) bands (ev): -6.1296 -6.1296 1.5943 1.5943 3.9745 3.9745 4.0344 4.0344 7.0069 7.0069 8.7723 8.7723 11.2621 11.2621 11.2681 11.2681 k = 0.2321-0.1340 0.1895 ( 464 PWs) bands (ev): -6.0648 -6.0648 1.4297 1.4297 3.9001 3.9001 3.9570 3.9570 6.9490 6.9490 8.7318 8.7318 11.4183 11.4183 11.4286 11.4286 k = 0.2411-0.1392 0.1968 ( 456 PWs) bands (ev): -5.9976 -5.9976 1.2658 1.2658 3.8276 3.8276 3.8817 3.8817 6.8938 6.8938 8.6798 8.6798 11.5776 11.5776 11.5922 11.5922 k = 0.2500-0.1443 0.2041 ( 456 PWs) bands (ev): -5.9279 -5.9279 1.1025 1.1025 3.7571 3.7571 3.8085 3.8085 6.8405 6.8405 8.6162 8.6162 11.7354 11.7354 11.7541 11.7541 k = 0.2589-0.1495 0.2114 ( 456 PWs) bands (ev): -5.8559 -5.8559 0.9400 0.9400 3.6887 3.6887 3.7375 3.7375 6.7897 6.7897 8.5438 8.5438 11.8938 11.8938 11.9165 11.9165 k = 0.2679-0.1546 0.2187 ( 456 PWs) bands (ev): -5.7815 -5.7815 0.7781 0.7781 3.6224 3.6224 3.6687 3.6687 6.7415 6.7415 8.4646 8.4646 12.0527 12.0527 12.0792 12.0792 k = 0.2768-0.1598 0.2260 ( 456 PWs) bands (ev): -5.7047 -5.7047 0.6171 0.6171 3.5584 3.5584 3.6022 3.6022 6.6959 6.6959 8.3801 8.3801 12.2121 12.2121 12.2423 12.2423 k = 0.2857-0.1650 0.2333 ( 456 PWs) bands (ev): -5.6255 -5.6255 0.4568 0.4568 3.4965 3.4965 3.5381 3.5381 6.6530 6.6530 8.2919 8.2919 12.3719 12.3719 12.4055 12.4055 k = 0.2946-0.1701 0.2406 ( 456 PWs) bands (ev): -5.5440 -5.5440 0.2973 0.2973 3.4370 3.4370 3.4763 3.4763 6.6128 6.6128 8.2010 8.2010 12.5319 12.5319 12.5688 12.5688 k = 0.3036-0.1753 0.2479 ( 456 PWs) bands (ev): -5.4601 -5.4601 0.1386 0.1386 3.3798 3.3798 3.4170 3.4170 6.5754 6.5754 8.1085 8.1085 12.6921 12.6921 12.7320 12.7320 k = 0.3125-0.1804 0.2552 ( 456 PWs) bands (ev): -5.3739 -5.3739 -0.0192 -0.0192 3.3249 3.3249 3.3600 3.3600 6.5409 6.5409 8.0153 8.0153 12.8522 12.8522 12.8951 12.8951 k = 0.3214-0.1856 0.2624 ( 456 PWs) bands (ev): -5.2854 -5.2854 -0.1761 -0.1761 3.2725 3.2725 3.3056 3.3056 6.5094 6.5094 7.9221 7.9221 13.0122 13.0122 13.0577 13.0577 k = 0.3304-0.1907 0.2697 ( 452 PWs) bands (ev): -5.1946 -5.1946 -0.3326 -0.3326 3.2226 3.2226 3.2538 3.2538 6.4813 6.4813 7.8264 7.8264 13.1760 13.1760 13.2240 13.2240 k = 0.3393-0.1959 0.2770 ( 452 PWs) bands (ev): -5.1016 -5.1016 -0.4876 -0.4876 3.1751 3.1751 3.2043 3.2043 6.4557 6.4557 7.7350 7.7350 13.3352 13.3352 13.3854 13.3854 k = 0.3482-0.2010 0.2843 ( 452 PWs) bands (ev): -5.0063 -5.0063 -0.6416 -0.6416 3.1299 3.1299 3.1572 3.1572 6.4329 6.4329 7.6441 7.6441 13.4959 13.4959 13.5480 13.5480 k = 0.3571-0.2062 0.2916 ( 452 PWs) bands (ev): -4.9089 -4.9089 -0.7946 -0.7946 3.0873 3.0873 3.1128 3.1128 6.4135 6.4135 7.5562 7.5562 13.6534 13.6534 13.7073 13.7073 k = 0.3661-0.2114 0.2989 ( 452 PWs) bands (ev): -4.8092 -4.8092 -0.9465 -0.9465 3.0473 3.0473 3.0710 3.0710 6.3973 6.3973 7.4705 7.4705 13.8098 13.8098 13.8650 13.8650 k = 0.3750-0.2165 0.3062 ( 452 PWs) bands (ev): -4.7074 -4.7074 -1.0973 -1.0973 3.0098 3.0098 3.0318 3.0318 6.3842 6.3842 7.3873 7.3873 13.9645 13.9645 14.0209 14.0209 k = 0.3839-0.2217 0.3135 ( 452 PWs) bands (ev): -4.6034 -4.6034 -1.2469 -1.2469 2.9748 2.9748 2.9951 2.9951 6.3744 6.3744 7.3067 7.3067 14.1172 14.1172 14.1743 14.1743 k = 0.3929-0.2268 0.3208 ( 452 PWs) bands (ev): -4.4973 -4.4973 -1.3954 -1.3954 2.9425 2.9425 2.9611 2.9611 6.3678 6.3678 7.2290 7.2290 14.2673 14.2673 14.3247 14.3247 k = 0.4018-0.2320 0.3281 ( 452 PWs) bands (ev): -4.3891 -4.3891 -1.5426 -1.5426 2.9127 2.9127 2.9297 2.9297 6.3644 6.3644 7.1543 7.1543 14.4142 14.4142 14.4715 14.4715 k = 0.4107-0.2371 0.3353 ( 452 PWs) bands (ev): -4.2788 -4.2788 -1.6885 -1.6885 2.8856 2.8856 2.9009 2.9009 6.3644 6.3644 7.0826 7.0826 14.5572 14.5572 14.6138 14.6138 k = 0.4196-0.2423 0.3426 ( 452 PWs) bands (ev): -4.1665 -4.1665 -1.8331 -1.8331 2.8610 2.8610 2.8748 2.8748 6.3677 6.3677 7.0141 7.0141 14.6952 14.6952 14.7504 14.7504 k = 0.4286-0.2474 0.3499 ( 452 PWs) bands (ev): -4.0521 -4.0521 -1.9764 -1.9764 2.8391 2.8392 2.8513 2.8513 6.3744 6.3744 6.9489 6.9489 14.8271 14.8271 14.8803 14.8803 k = 0.4375-0.2526 0.3572 ( 452 PWs) bands (ev): -3.9358 -3.9358 -2.1183 -2.1183 2.8199 2.8199 2.8305 2.8305 6.3845 6.3845 6.8870 6.8870 14.9515 14.9515 15.0017 15.0017 k = 0.4464-0.2577 0.3645 ( 452 PWs) bands (ev): -3.8176 -3.8176 -2.2587 -2.2587 2.8033 2.8033 2.8124 2.8124 6.3980 6.3980 6.8285 6.8285 15.0667 15.0667 15.1130 15.1130 k = 0.4554-0.2629 0.3718 ( 456 PWs) bands (ev): -3.6975 -3.6975 -2.3978 -2.3978 2.7893 2.7893 2.7969 2.7969 6.4143 6.4143 6.7733 6.7733 15.1695 15.1695 15.2108 15.2108 k = 0.4643-0.2681 0.3791 ( 456 PWs) bands (ev): -3.5754 -3.5754 -2.5352 -2.5352 2.7781 2.7781 2.7841 2.7841 6.4347 6.4347 6.7216 6.7216 15.2605 15.2605 15.2956 15.2956 k = 0.4732-0.2732 0.3864 ( 460 PWs) bands (ev): -3.4515 -3.4515 -2.6711 -2.6711 2.7694 2.7694 2.7739 2.7739 6.4576 6.4576 6.6734 6.6734 15.3356 15.3356 15.3633 15.3633 k = 0.4821-0.2784 0.3937 ( 460 PWs) bands (ev): -3.3258 -3.3258 -2.8054 -2.8054 2.7634 2.7634 2.7665 2.7665 6.4849 6.4849 6.6287 6.6287 15.3931 15.3931 15.4123 15.4123 k = 0.4911-0.2835 0.4010 ( 460 PWs) bands (ev): -3.1983 -3.1983 -2.9380 -2.9380 2.7602 2.7602 2.7617 2.7617 6.5156 6.5156 6.5875 6.5875 15.4306 15.4306 15.4404 15.4404 k = 0.5000-0.2887 0.4082 ( 460 PWs) bands (ev): -3.0690 -3.0690 -3.0690 -3.0690 2.7596 2.7596 2.7596 2.7596 6.5498 6.5498 6.5498 6.5498 15.4466 15.4466 15.4466 15.4466 k = 0.5000-0.2887 0.4082 ( 460 PWs) bands (ev): -3.0690 -3.0690 -3.0690 -3.0690 2.7596 2.7596 2.7596 2.7596 6.5498 6.5498 6.5498 6.5498 15.4466 15.4466 15.4466 15.4466 k = 0.5000-0.2784 0.4155 ( 464 PWs) bands (ev): -3.0695 -3.0695 -3.0682 -3.0682 2.7528 2.7528 2.7590 2.7590 6.5529 6.5529 6.5582 6.5582 15.4272 15.4272 15.4432 15.4432 k = 0.5000-0.2681 0.4228 ( 464 PWs) bands (ev): -3.0693 -3.0693 -3.0667 -3.0667 2.7391 2.7391 2.7514 2.7514 6.5722 6.5722 6.5828 6.5828 15.3855 15.3855 15.4168 15.4168 k = 0.5000-0.2577 0.4301 ( 464 PWs) bands (ev): -3.0685 -3.0685 -3.0646 -3.0646 2.7188 2.7188 2.7370 2.7370 6.6058 6.6058 6.6214 6.6214 15.3216 15.3216 15.3670 15.3670 k = 0.5000-0.2474 0.4374 ( 464 PWs) bands (ev): -3.0672 -3.0672 -3.0619 -3.0619 2.6923 2.6923 2.7162 2.7162 6.6533 6.6533 6.6738 6.6738 15.2358 15.2358 15.2938 15.2938 k = 0.5000-0.2371 0.4447 ( 464 PWs) bands (ev): -3.0653 -3.0653 -3.0588 -3.0588 2.6604 2.6604 2.6897 2.6897 6.7141 6.7141 6.7391 6.7391 15.1290 15.1290 15.1973 15.1973 k = 0.5000-0.2268 0.4520 ( 464 PWs) bands (ev): -3.0630 -3.0630 -3.0551 -3.0551 2.6237 2.6237 2.6580 2.6580 6.7876 6.7876 6.8168 6.8168 15.0022 15.0022 15.0785 15.0785 k = 0.5000-0.2165 0.4593 ( 460 PWs) bands (ev): -3.0600 -3.0600 -3.0509 -3.0509 2.5831 2.5831 2.6220 2.6220 6.8732 6.8732 6.9063 6.9063 14.8577 14.8577 14.9396 14.9396 k = 0.5000-0.2062 0.4666 ( 460 PWs) bands (ev): -3.0567 -3.0567 -3.0464 -3.0464 2.5393 2.5393 2.5825 2.5825 6.9697 6.9697 7.0063 7.0063 14.6963 14.6963 14.7817 14.7817 k = 0.5000-0.1959 0.4739 ( 460 PWs) bands (ev): -3.0530 -3.0530 -3.0415 -3.0415 2.4931 2.4931 2.5402 2.5402 7.0765 7.0765 7.1163 7.1163 14.5208 14.5208 14.6078 14.6078 k = 0.5000-0.1856 0.4811 ( 460 PWs) bands (ev): -3.0490 -3.0490 -3.0362 -3.0362 2.4452 2.4452 2.4959 2.4959 7.1928 7.1928 7.2356 7.2356 14.3333 14.3333 14.4207 14.4207 k = 0.5000-0.1753 0.4884 ( 460 PWs) bands (ev): -3.0447 -3.0447 -3.0307 -3.0307 2.3964 2.3964 2.4503 2.4503 7.3181 7.3181 7.3636 7.3636 14.1360 14.1360 14.2227 14.2227 k = 0.5000-0.1650 0.4957 ( 456 PWs) bands (ev): -3.0401 -3.0401 -3.0250 -3.0250 2.3475 2.3475 2.4043 2.4043 7.4519 7.4519 7.4998 7.4999 13.9310 13.9310 14.0162 14.0162 k = 0.5000-0.1546 0.5030 ( 456 PWs) bands (ev): -3.0354 -3.0354 -3.0192 -3.0192 2.2987 2.2987 2.3583 2.3583 7.5929 7.5929 7.6431 7.6432 13.7194 13.7194 13.8028 13.8028 k = 0.5000-0.1443 0.5103 ( 456 PWs) bands (ev): -3.0305 -3.0305 -3.0132 -3.0132 2.2508 2.2508 2.3128 2.3128 7.7410 7.7410 7.7933 7.7933 13.5030 13.5030 13.5842 13.5842 k = 0.5000-0.1340 0.5176 ( 462 PWs) bands (ev): -3.0257 -3.0257 -3.0074 -3.0074 2.2043 2.2043 2.2685 2.2685 7.8950 7.8950 7.9493 7.9493 13.2802 13.2803 13.3592 13.3592 k = 0.5000-0.1237 0.5249 ( 458 PWs) bands (ev): -3.0208 -3.0208 -3.0015 -3.0015 2.1596 2.1596 2.2258 2.2258 8.0564 8.0564 8.1127 8.1127 13.0578 13.0578 13.1344 13.1344 k = 0.5000-0.1134 0.5322 ( 462 PWs) bands (ev): -3.0160 -3.0160 -2.9958 -2.9958 2.1171 2.1171 2.1851 2.1851 8.2226 8.2226 8.2808 8.2808 12.8323 12.8323 12.9064 12.9064 k = 0.5000-0.1031 0.5395 ( 462 PWs) bands (ev): -3.0113 -3.0113 -2.9902 -2.9902 2.0772 2.0772 2.1468 2.1468 8.3941 8.3941 8.4541 8.4541 12.6068 12.6068 12.6784 12.6784 k = 0.5000-0.0928 0.5468 ( 462 PWs) bands (ev): -3.0069 -3.0069 -2.9849 -2.9849 2.0402 2.0402 2.1112 2.1112 8.5703 8.5703 8.6323 8.6323 12.3811 12.3811 12.4501 12.4501 k = 0.5000-0.0825 0.5541 ( 462 PWs) bands (ev): -3.0027 -3.0027 -2.9800 -2.9800 2.0063 2.0063 2.0786 2.0786 8.7510 8.7511 8.8151 8.8151 12.1557 12.1557 12.2221 12.2221 k = 0.5000-0.0722 0.5613 ( 462 PWs) bands (ev): -2.9988 -2.9988 -2.9755 -2.9755 1.9759 1.9759 2.0493 2.0493 8.9358 8.9358 9.0021 9.0021 11.9312 11.9312 11.9948 11.9948 k = 0.5000-0.0619 0.5686 ( 458 PWs) bands (ev): -2.9953 -2.9953 -2.9714 -2.9714 1.9491 1.9491 2.0235 2.0235 9.1244 9.1244 9.1934 9.1934 11.7084 11.7084 11.7689 11.7689 k = 0.5000-0.0515 0.5759 ( 458 PWs) bands (ev): -2.9923 -2.9923 -2.9679 -2.9679 1.9261 1.9261 2.0013 2.0013 9.3168 9.3168 9.3891 9.3891 11.4869 11.4869 11.5436 11.5436 k = 0.5000-0.0412 0.5832 ( 462 PWs) bands (ev): -2.9898 -2.9898 -2.9650 -2.9650 1.9071 1.9071 1.9828 1.9828 9.5098 9.5098 9.5862 9.5862 11.2672 11.2672 11.3194 11.3194 k = 0.5000-0.0309 0.5905 ( 462 PWs) bands (ev): -2.9878 -2.9878 -2.9626 -2.9626 1.8921 1.8921 1.9684 1.9684 9.7029 9.7029 9.7855 9.7855 11.0552 11.0552 11.1009 11.1009 k = 0.5000-0.0206 0.5978 ( 464 PWs) bands (ev): -2.9864 -2.9864 -2.9609 -2.9609 1.8814 1.8814 1.9581 1.9581 9.8912 9.8912 9.9843 9.9843 10.8531 10.8531 10.8881 10.8881 k = 0.5000-0.0103 0.6051 ( 464 PWs) bands (ev): -2.9855 -2.9855 -2.9599 -2.9599 1.8749 1.8749 1.9518 1.9518 10.0592 10.0592 10.1735 10.1735 10.6770 10.6770 10.6907 10.6907 k = 0.5000-0.0000 0.6124 ( 464 PWs) bands (ev): -2.9852 -2.9852 -2.9596 -2.9596 1.8728 1.8728 1.9497 1.9497 10.1430 10.1430 10.2858 10.2858 10.5757 10.5757 10.5904 10.5905 k = 0.5000-0.0000 0.6124 ( 464 PWs) bands (ev): -2.9852 -2.9852 -2.9596 -2.9596 1.8728 1.8728 1.9497 1.9497 10.1430 10.1430 10.2858 10.2858 10.5757 10.5757 10.5904 10.5905 k = 0.4938 0.0108 0.6124 ( 464 PWs) bands (ev): -3.0290 -3.0290 -2.9161 -2.9161 1.8561 1.8561 1.9706 1.9706 10.0496 10.0496 10.2647 10.2647 10.6340 10.6340 10.6519 10.6519 k = 0.4875 0.0217 0.6124 ( 464 PWs) bands (ev): -3.0807 -3.0807 -2.8656 -2.8656 1.8244 1.8244 2.0149 2.0149 9.8408 9.8408 10.2519 10.2519 10.7485 10.7485 10.7749 10.7749 k = 0.4813 0.0325 0.6124 ( 462 PWs) bands (ev): -3.1300 -3.1300 -2.8182 -2.8182 1.7903 1.7903 2.0696 2.0696 9.6096 9.6096 10.2334 10.2334 10.8738 10.8738 10.9274 10.9274 k = 0.4750 0.0433 0.6124 ( 460 PWs) bands (ev): -3.1767 -3.1767 -2.7743 -2.7743 1.7569 1.7569 2.1317 2.1317 9.3757 9.3757 10.2099 10.2099 11.0102 11.0102 11.0864 11.0864 k = 0.4688 0.0541 0.6124 ( 458 PWs) bands (ev): -3.2206 -3.2206 -2.7340 -2.7340 1.7247 1.7247 2.1999 2.1999 9.1441 9.1441 10.1844 10.1844 11.1544 11.1544 11.2503 11.2503 k = 0.4625 0.0650 0.6124 ( 462 PWs) bands (ev): -3.2618 -3.2618 -2.6972 -2.6972 1.6941 1.6941 2.2734 2.2734 8.9155 8.9155 10.1579 10.1579 11.3027 11.3027 11.4142 11.4142 k = 0.4562 0.0758 0.6124 ( 462 PWs) bands (ev): -3.3001 -3.3001 -2.6638 -2.6638 1.6654 1.6654 2.3515 2.3515 8.6947 8.6947 10.1323 10.1323 11.4549 11.4549 11.5793 11.5793 k = 0.4500 0.0866 0.6124 ( 460 PWs) bands (ev): -3.3356 -3.3356 -2.6337 -2.6337 1.6386 1.6386 2.4334 2.4334 8.4811 8.4811 10.1078 10.1078 11.6119 11.6119 11.7452 11.7452 k = 0.4437 0.0974 0.6124 ( 460 PWs) bands (ev): -3.3683 -3.3683 -2.6067 -2.6067 1.6137 1.6137 2.5181 2.5181 8.2754 8.2754 10.0847 10.0847 11.7693 11.7694 11.9098 11.9098 k = 0.4375 0.1083 0.6124 ( 460 PWs) bands (ev): -3.3982 -3.3982 -2.5827 -2.5827 1.5909 1.5909 2.6044 2.6044 8.0789 8.0789 10.0632 10.0633 11.9287 11.9287 12.0729 12.0729 k = 0.4313 0.1191 0.6124 ( 460 PWs) bands (ev): -3.4252 -3.4252 -2.5616 -2.5616 1.5701 1.5701 2.6912 2.6912 7.8928 7.8928 10.0436 10.0436 12.0893 12.0893 12.2333 12.2333 k = 0.4250 0.1299 0.6124 ( 455 PWs) bands (ev): -3.4493 -3.4493 -2.5431 -2.5431 1.5515 1.5515 2.7772 2.7772 7.7195 7.7195 10.0260 10.0260 12.2514 12.2514 12.3913 12.3913 k = 0.4188 0.1407 0.6124 ( 460 PWs) bands (ev): -3.4707 -3.4707 -2.5273 -2.5273 1.5350 1.5350 2.8602 2.8602 7.5575 7.5575 10.0098 10.0098 12.4122 12.4122 12.5420 12.5420 k = 0.4125 0.1516 0.6124 ( 460 PWs) bands (ev): -3.4892 -3.4892 -2.5139 -2.5139 1.5207 1.5207 2.9386 2.9386 7.4118 7.4118 9.9960 9.9960 12.5716 12.5716 12.6861 12.6861 k = 0.4062 0.1624 0.6124 ( 460 PWs) bands (ev): -3.5049 -3.5049 -2.5028 -2.5028 1.5085 1.5085 3.0105 3.0105 7.2832 7.2832 9.9842 9.9842 12.7265 12.7265 12.8217 12.8217 k = 0.4000 0.1732 0.6124 ( 458 PWs) bands (ev): -3.5176 -3.5176 -2.4938 -2.4938 1.4985 1.4985 3.0736 3.0736 7.1740 7.1740 9.9763 9.9763 12.8707 12.8707 12.9496 12.9496 k = 0.3937 0.1840 0.6124 ( 462 PWs) bands (ev): -3.5276 -3.5276 -2.4871 -2.4871 1.4907 1.4907 3.1254 3.1254 7.0854 7.0854 9.9684 9.9684 12.9900 12.9900 13.0740 13.0740 k = 0.3875 0.1949 0.6124 ( 462 PWs) bands (ev): -3.5347 -3.5347 -2.4823 -2.4823 1.4851 1.4851 3.1644 3.1644 7.0209 7.0209 9.9630 9.9630 13.0754 13.0754 13.1933 13.1933 k = 0.3812 0.2057 0.6124 ( 458 PWs) bands (ev): -3.5390 -3.5390 -2.4793 -2.4793 1.4818 1.4818 3.1885 3.1885 6.9814 6.9814 9.9606 9.9606 13.1275 13.1275 13.2887 13.2887 k = 0.3750 0.2165 0.6124 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.3750 0.2165 0.6124 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.3686 0.2128 0.6020 ( 458 PWs) bands (ev): -3.5973 -3.5973 -2.4168 -2.4168 1.4427 1.4427 3.2406 3.2406 7.0091 7.0091 10.2217 10.2217 13.0108 13.0108 13.1779 13.1779 k = 0.3623 0.2092 0.5916 ( 462 PWs) bands (ev): -3.6577 -3.6577 -2.3523 -2.3523 1.4118 1.4118 3.2863 3.2863 7.0514 7.0514 10.4864 10.4864 12.8786 12.8786 13.0282 13.0282 k = 0.3559 0.2055 0.5812 ( 462 PWs) bands (ev): -3.7213 -3.7213 -2.2847 -2.2847 1.3883 1.3883 3.3338 3.3338 7.0950 7.0950 10.7526 10.7526 12.7499 12.7499 12.8827 12.8827 k = 0.3496 0.2018 0.5709 ( 462 PWs) bands (ev): -3.7881 -3.7881 -2.2140 -2.2140 1.3720 1.3720 3.3831 3.3831 7.1396 7.1396 11.0185 11.0185 12.6242 12.6242 12.7386 12.7386 k = 0.3432 0.1982 0.5605 ( 456 PWs) bands (ev): -3.8578 -3.8578 -2.1402 -2.1402 1.3629 1.3629 3.4346 3.4346 7.1867 7.1867 11.2814 11.2814 12.5023 12.5023 12.5966 12.5966 k = 0.3369 0.1945 0.5501 ( 456 PWs) bands (ev): -3.9303 -3.9303 -2.0634 -2.0634 1.3609 1.3609 3.4871 3.4871 7.2331 7.2331 11.5357 11.5357 12.3837 12.3837 12.4569 12.4569 k = 0.3305 0.1908 0.5397 ( 456 PWs) bands (ev): -4.0052 -4.0052 -1.9836 -1.9836 1.3659 1.3659 3.5412 3.5412 7.2801 7.2801 11.7688 11.7688 12.2708 12.2708 12.3213 12.3213 k = 0.3242 0.1871 0.5293 ( 456 PWs) bands (ev): -4.0825 -4.0825 -1.9008 -1.9008 1.3777 1.3777 3.5968 3.5968 7.3274 7.3274 11.9428 11.9428 12.1707 12.1707 12.1995 12.1995 k = 0.3178 0.1835 0.5190 ( 460 PWs) bands (ev): -4.1617 -4.1617 -1.8150 -1.8150 1.3961 1.3961 3.6536 3.6536 7.3746 7.3746 11.9553 11.9553 12.0600 12.0600 12.1732 12.1732 k = 0.3114 0.1798 0.5086 ( 460 PWs) bands (ev): -4.2426 -4.2426 -1.7261 -1.7261 1.4210 1.4210 3.7118 3.7118 7.4220 7.4220 11.8542 11.8542 11.9491 11.9491 12.1613 12.1613 k = 0.3051 0.1761 0.4982 ( 459 PWs) bands (ev): -4.3249 -4.3249 -1.6342 -1.6342 1.4521 1.4521 3.7712 3.7712 7.4691 7.4691 11.7319 11.7319 11.8453 11.8453 12.0911 12.0911 k = 0.2987 0.1725 0.4878 ( 459 PWs) bands (ev): -4.4084 -4.4084 -1.5392 -1.5392 1.4891 1.4891 3.8317 3.8317 7.5154 7.5154 11.6054 11.6054 11.7472 11.7472 11.9881 11.9881 k = 0.2924 0.1688 0.4774 ( 459 PWs) bands (ev): -4.4929 -4.4929 -1.4413 -1.4413 1.5320 1.5320 3.8933 3.8933 7.5608 7.5608 11.4786 11.4786 11.6538 11.6538 11.8716 11.8716 k = 0.2860 0.1651 0.4671 ( 461 PWs) bands (ev): -4.5781 -4.5781 -1.3404 -1.3404 1.5804 1.5804 3.9557 3.9557 7.6049 7.6049 11.3528 11.3528 11.5640 11.5640 11.7506 11.7506 k = 0.2797 0.1615 0.4567 ( 461 PWs) bands (ev): -4.6636 -4.6636 -1.2365 -1.2365 1.6341 1.6341 4.0189 4.0189 7.6473 7.6473 11.2286 11.2286 11.4764 11.4764 11.6315 11.6315 k = 0.2733 0.1578 0.4463 ( 461 PWs) bands (ev): -4.7492 -4.7492 -1.1295 -1.1295 1.6929 1.6929 4.0828 4.0828 7.6875 7.6875 11.1064 11.1064 11.3869 11.3870 11.5199 11.5199 k = 0.2669 0.1541 0.4359 ( 461 PWs) bands (ev): -4.8349 -4.8349 -1.0196 -1.0196 1.7566 1.7566 4.1473 4.1473 7.7254 7.7254 10.9863 10.9863 11.2899 11.2899 11.4231 11.4232 k = 0.2606 0.1505 0.4255 ( 463 PWs) bands (ev): -4.9203 -4.9203 -0.9068 -0.9068 1.8250 1.8250 4.2123 4.2123 7.7606 7.7606 10.8680 10.8680 11.1827 11.1827 11.3446 11.3446 k = 0.2542 0.1468 0.4152 ( 463 PWs) bands (ev): -5.0053 -5.0053 -0.7908 -0.7908 1.8980 1.8980 4.2775 4.2775 7.7924 7.7924 10.7525 10.7525 11.0691 11.0691 11.2808 11.2808 k = 0.2479 0.1431 0.4048 ( 463 PWs) bands (ev): -5.0896 -5.0896 -0.6720 -0.6720 1.9752 1.9752 4.3429 4.3429 7.8205 7.8205 10.6394 10.6394 10.9534 10.9534 11.2282 11.2282 k = 0.2415 0.1394 0.3944 ( 463 PWs) bands (ev): -5.1733 -5.1733 -0.5501 -0.5501 2.0566 2.0566 4.4083 4.4083 7.8448 7.8448 10.5287 10.5287 10.8378 10.8378 11.1845 11.1845 k = 0.2352 0.1358 0.3840 ( 459 PWs) bands (ev): -5.2560 -5.2560 -0.4252 -0.4252 2.1419 2.1419 4.4738 4.4738 7.8649 7.8649 10.4206 10.4206 10.7249 10.7249 11.1490 11.1490 k = 0.2288 0.1321 0.3737 ( 459 PWs) bands (ev): -5.3376 -5.3376 -0.2975 -0.2975 2.2310 2.2310 4.5388 4.5388 7.8806 7.8806 10.3150 10.3150 10.6126 10.6126 11.1204 11.1204 k = 0.2225 0.1284 0.3633 ( 463 PWs) bands (ev): -5.4180 -5.4180 -0.1668 -0.1668 2.3236 2.3236 4.6034 4.6034 7.8917 7.8917 10.2105 10.2105 10.5004 10.5004 11.0984 11.0984 k = 0.2161 0.1248 0.3529 ( 463 PWs) bands (ev): -5.4971 -5.4971 -0.0333 -0.0333 2.4197 2.4197 4.6675 4.6675 7.8982 7.8982 10.1101 10.1101 10.3929 10.3929 11.0825 11.0825 k = 0.2097 0.1211 0.3425 ( 463 PWs) bands (ev): -5.5747 -5.5747 0.1032 0.1032 2.5191 2.5191 4.7309 4.7309 7.9002 7.9002 10.0124 10.0124 10.2879 10.2879 11.0719 11.0719 k = 0.2034 0.1174 0.3321 ( 467 PWs) bands (ev): -5.6509 -5.6509 0.2426 0.2426 2.6216 2.6216 4.7934 4.7934 7.8977 7.8977 9.9166 9.9166 10.1856 10.1856 11.0655 11.0655 k = 0.1970 0.1138 0.3218 ( 473 PWs) bands (ev): -5.7254 -5.7254 0.3848 0.3848 2.7264 2.7264 4.8537 4.8537 7.8907 7.8907 9.8236 9.8236 10.0852 10.0852 11.0623 11.0623 k = 0.1907 0.1101 0.3114 ( 473 PWs) bands (ev): -5.7981 -5.7981 0.5299 0.5299 2.8346 2.8346 4.9140 4.9140 7.8797 7.8797 9.7341 9.7341 9.9885 9.9885 11.0611 11.0611 k = 0.1843 0.1064 0.3010 ( 473 PWs) bands (ev): -5.8690 -5.8690 0.6778 0.6778 2.9453 2.9453 4.9730 4.9730 7.8650 7.8650 9.6472 9.6472 9.8946 9.8946 11.0601 11.0601 k = 0.1780 0.1027 0.2906 ( 473 PWs) bands (ev): -5.9380 -5.9380 0.8285 0.8285 3.0584 3.0584 5.0306 5.0306 7.8468 7.8468 9.5631 9.5631 9.8036 9.8036 11.0576 11.0576 k = 0.1716 0.0991 0.2802 ( 473 PWs) bands (ev): -6.0051 -6.0051 0.9820 0.9820 3.1738 3.1738 5.0867 5.0867 7.8254 7.8254 9.4818 9.4818 9.7154 9.7154 11.0517 11.0517 k = 0.1653 0.0954 0.2699 ( 475 PWs) bands (ev): -6.0702 -6.0702 1.1383 1.1383 3.2911 3.2911 5.1410 5.1410 7.8009 7.8009 9.4032 9.4032 9.6293 9.6293 11.0399 11.0399 k = 0.1589 0.0917 0.2595 ( 467 PWs) bands (ev): -6.1331 -6.1331 1.2973 1.2973 3.4104 3.4104 5.1944 5.1944 7.7742 7.7742 9.3293 9.3293 9.5472 9.5472 11.0209 11.0209 k = 0.1525 0.0881 0.2491 ( 467 PWs) bands (ev): -6.1940 -6.1940 1.4590 1.4590 3.5312 3.5312 5.2452 5.2452 7.7451 7.7451 9.2563 9.2563 9.4676 9.4676 10.9907 10.9907 k = 0.1462 0.0844 0.2387 ( 467 PWs) bands (ev): -6.2526 -6.2526 1.6233 1.6233 3.6534 3.6534 5.2939 5.2939 7.7141 7.7141 9.1860 9.1860 9.3910 9.3910 10.9479 10.9479 k = 0.1398 0.0807 0.2283 ( 469 PWs) bands (ev): -6.3090 -6.3090 1.7902 1.7902 3.7767 3.7767 5.3407 5.3407 7.6811 7.6811 9.1186 9.1186 9.3172 9.3172 10.8903 10.8903 k = 0.1335 0.0771 0.2180 ( 469 PWs) bands (ev): -6.3632 -6.3632 1.9596 1.9596 3.9008 3.9008 5.3853 5.3853 7.6467 7.6467 9.0539 9.0539 9.2463 9.2463 10.8173 10.8173 k = 0.1271 0.0734 0.2076 ( 469 PWs) bands (ev): -6.4150 -6.4150 2.1316 2.1316 4.0255 4.0255 5.4278 5.4278 7.6109 7.6109 8.9919 8.9919 9.1782 9.1782 10.7280 10.7280 k = 0.1208 0.0697 0.1972 ( 469 PWs) bands (ev): -6.4645 -6.4645 2.3060 2.3060 4.1504 4.1504 5.4682 5.4682 7.5737 7.5737 8.9327 8.9327 9.1131 9.1131 10.6226 10.6226 k = 0.1144 0.0661 0.1868 ( 469 PWs) bands (ev): -6.5117 -6.5117 2.4827 2.4827 4.2751 4.2751 5.5063 5.5063 7.5349 7.5349 8.8763 8.8763 9.0508 9.0508 10.5021 10.5021 k = 0.1081 0.0624 0.1764 ( 473 PWs) bands (ev): -6.5565 -6.5565 2.6616 2.6616 4.3991 4.3991 5.5411 5.5411 7.4946 7.4946 8.8221 8.8221 8.9913 8.9913 10.3681 10.3681 k = 0.1017 0.0587 0.1661 ( 473 PWs) bands (ev): -6.5988 -6.5988 2.8428 2.8428 4.5222 4.5222 5.5748 5.5748 7.4526 7.4526 8.7709 8.7709 8.9348 8.9348 10.2228 10.2228 k = 0.0953 0.0550 0.1557 ( 473 PWs) bands (ev): -6.6386 -6.6386 3.0260 3.0260 4.6439 4.6439 5.6065 5.6065 7.4084 7.4084 8.7224 8.7224 8.8812 8.8812 10.0688 10.0688 k = 0.0890 0.0514 0.1453 ( 473 PWs) bands (ev): -6.6760 -6.6760 3.2113 3.2113 4.7634 4.7634 5.6361 5.6361 7.3617 7.3617 8.6763 8.6763 8.8306 8.8306 9.9084 9.9084 k = 0.0826 0.0477 0.1349 ( 473 PWs) bands (ev): -6.7109 -6.7109 3.3983 3.3983 4.8803 4.8803 5.6638 5.6638 7.3117 7.3117 8.6327 8.6327 8.7830 8.7830 9.7446 9.7446 k = 0.0763 0.0440 0.1246 ( 477 PWs) bands (ev): -6.7433 -6.7433 3.5862 3.5862 4.9935 4.9935 5.6894 5.6894 7.2574 7.2574 8.5913 8.5913 8.7382 8.7382 9.5790 9.5790 k = 0.0699 0.0404 0.1142 ( 469 PWs) bands (ev): -6.7731 -6.7731 3.7768 3.7768 5.1037 5.1037 5.7141 5.7141 7.1986 7.1986 8.5524 8.5524 8.6974 8.6974 9.4177 9.4177 k = 0.0636 0.0367 0.1038 ( 469 PWs) bands (ev): -6.8003 -6.8003 3.9680 3.9680 5.2075 5.2075 5.7367 5.7367 7.1329 7.1329 8.5152 8.5152 8.6593 8.6593 9.2601 9.2601 k = 0.0572 0.0330 0.0934 ( 473 PWs) bands (ev): -6.8251 -6.8251 4.1596 4.1596 5.3048 5.3048 5.7578 5.7578 7.0592 7.0592 8.4796 8.4796 8.6242 8.6242 9.1098 9.1098 k = 0.0508 0.0294 0.0830 ( 473 PWs) bands (ev): -6.8473 -6.8473 4.3522 4.3522 5.3948 5.3948 5.7785 5.7785 6.9765 6.9765 8.4455 8.4455 8.5928 8.5928 8.9714 8.9714 k = 0.0445 0.0257 0.0727 ( 473 PWs) bands (ev): -6.8669 -6.8669 4.5446 4.5446 5.4750 5.4750 5.7995 5.7995 6.8830 6.8830 8.4127 8.4127 8.5648 8.5648 8.8471 8.8471 k = 0.0381 0.0220 0.0623 ( 473 PWs) bands (ev): -6.8839 -6.8839 4.7365 4.7365 5.5457 5.5457 5.8199 5.8199 6.7777 6.7777 8.3807 8.3807 8.5408 8.5408 8.7397 8.7397 k = 0.0318 0.0183 0.0519 ( 465 PWs) bands (ev): -6.8982 -6.8982 4.9280 4.9280 5.6055 5.6055 5.8411 5.8411 6.6605 6.6605 8.3502 8.3502 8.5216 8.5216 8.6516 8.6516 k = 0.0254 0.0147 0.0415 ( 459 PWs) bands (ev): -6.9099 -6.9099 5.1155 5.1155 5.6543 5.6543 5.8627 5.8627 6.5309 6.5309 8.3206 8.3206 8.5051 8.5051 8.5837 8.5837 k = 0.0191 0.0110 0.0311 ( 459 PWs) bands (ev): -6.9191 -6.9191 5.2958 5.2958 5.6937 5.6937 5.8831 5.8831 6.3900 6.3900 8.2935 8.2935 8.4922 8.4922 8.5336 8.5336 k = 0.0127 0.0073 0.0208 ( 459 PWs) bands (ev): -6.9256 -6.9256 5.4596 5.4596 5.7339 5.7339 5.9002 5.9002 6.2399 6.2399 8.2716 8.2716 8.4829 8.4829 8.5004 8.5004 k = 0.0064 0.0037 0.0104 ( 459 PWs) bands (ev): -6.9296 -6.9296 5.5765 5.5765 5.8035 5.8035 5.9116 5.9116 6.0846 6.0846 8.2574 8.2574 8.4773 8.4773 8.4816 8.4816 k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): -6.9309 -6.9309 5.6134 5.6134 5.9156 5.9156 5.9156 5.9156 5.9458 5.9458 8.2524 8.2524 8.4755 8.4755 8.4755 8.4755 k = 0.0000 0.0000 0.0000 ( 459 PWs) bands (ev): -6.9309 -6.9309 5.6134 5.6134 5.9156 5.9156 5.9156 5.9156 5.9458 5.9458 8.2524 8.2524 8.4755 8.4755 8.4755 8.4755 k = 0.0102 0.0059 0.0042 ( 459 PWs) bands (ev): -6.9296 -6.9296 5.5775 5.5775 5.8052 5.8052 5.9128 5.9128 6.0812 6.0812 8.2572 8.2572 8.4793 8.4793 8.4793 8.4793 k = 0.0204 0.0118 0.0083 ( 459 PWs) bands (ev): -6.9258 -6.9258 5.4616 5.4616 5.7383 5.7383 5.9045 5.9045 6.2309 6.2309 8.2717 8.2717 8.4906 8.4906 8.4910 8.4910 k = 0.0306 0.0177 0.0125 ( 459 PWs) bands (ev): -6.9195 -6.9195 5.2970 5.2970 5.7054 5.7054 5.8907 5.8907 6.3726 6.3726 8.2959 8.2959 8.5091 8.5091 8.5114 8.5114 k = 0.0408 0.0236 0.0167 ( 459 PWs) bands (ev): -6.9106 -6.9106 5.1143 5.1143 5.6796 5.6796 5.8719 5.8719 6.5016 6.5016 8.3296 8.3296 8.5346 8.5346 8.5417 8.5417 k = 0.0510 0.0295 0.0208 ( 468 PWs) bands (ev): -6.8993 -6.8993 4.9219 4.9219 5.6529 5.6529 5.8482 5.8482 6.6141 6.6141 8.3714 8.3714 8.5663 8.5663 8.5824 8.5824 k = 0.0612 0.0353 0.0250 ( 468 PWs) bands (ev): -6.8854 -6.8854 4.7264 4.7264 5.6237 5.6237 5.8204 5.8204 6.7096 6.7096 8.4208 8.4208 8.6041 8.6041 8.6393 8.6393 k = 0.0714 0.0412 0.0292 ( 474 PWs) bands (ev): -6.8691 -6.8691 4.5280 4.5280 5.5906 5.5906 5.7878 5.7878 6.7861 6.7861 8.4741 8.4741 8.6467 8.6467 8.7134 8.7134 k = 0.0816 0.0471 0.0333 ( 471 PWs) bands (ev): -6.8501 -6.8501 4.3289 4.3289 5.5555 5.5555 5.7528 5.7528 6.8442 6.8442 8.5297 8.5297 8.6939 8.6939 8.8078 8.8078 k = 0.0918 0.0530 0.0375 ( 471 PWs) bands (ev): -6.8287 -6.8287 4.1273 4.1273 5.5179 5.5179 5.7151 5.7151 6.8841 6.8841 8.5868 8.5868 8.7456 8.7456 8.9188 8.9188 k = 0.1020 0.0589 0.0417 ( 471 PWs) bands (ev): -6.8048 -6.8048 3.9251 3.9251 5.4781 5.4781 5.6750 5.6750 6.9083 6.9083 8.6449 8.6449 8.8005 8.8005 9.0455 9.0455 k = 0.1122 0.0648 0.0458 ( 471 PWs) bands (ev): -6.7785 -6.7785 3.7227 3.7227 5.4364 5.4364 5.6330 5.6330 6.9188 6.9188 8.7039 8.7039 8.8579 8.8579 9.1853 9.1853 k = 0.1224 0.0707 0.0500 ( 471 PWs) bands (ev): -6.7497 -6.7497 3.5202 3.5202 5.3938 5.3938 5.5900 5.5900 6.9181 6.9181 8.7637 8.7637 8.9172 8.9172 9.3349 9.3349 k = 0.1327 0.0766 0.0542 ( 471 PWs) bands (ev): -6.7185 -6.7185 3.3183 3.3183 5.3495 5.3495 5.5453 5.5453 6.9081 6.9081 8.8241 8.8241 8.9776 8.9776 9.4936 9.4936 k = 0.1429 0.0825 0.0583 ( 471 PWs) bands (ev): -6.6849 -6.6849 3.1171 3.1171 5.3044 5.3044 5.4998 5.4998 6.8909 6.8909 8.8847 8.8847 9.0385 9.0385 9.6586 9.6586 k = 0.1531 0.0884 0.0625 ( 471 PWs) bands (ev): -6.6489 -6.6489 2.9169 2.9169 5.2589 5.2589 5.4539 5.4539 6.8678 6.8678 8.9450 8.9450 9.0992 9.0992 9.8288 9.8288 k = 0.1633 0.0943 0.0667 ( 471 PWs) bands (ev): -6.6106 -6.6106 2.7178 2.7178 5.2131 5.2131 5.4077 5.4077 6.8403 6.8403 9.0045 9.0045 9.1590 9.1590 10.0029 10.0029 k = 0.1735 0.1002 0.0708 ( 471 PWs) bands (ev): -6.5699 -6.5699 2.5200 2.5200 5.1674 5.1674 5.3616 5.3616 6.8093 6.8093 9.0627 9.0627 9.2174 9.2174 10.1801 10.1801 k = 0.1837 0.1060 0.0750 ( 471 PWs) bands (ev): -6.5269 -6.5269 2.3238 2.3238 5.1219 5.1219 5.3157 5.3157 6.7757 6.7757 9.1192 9.1192 9.2739 9.2739 10.3597 10.3597 k = 0.1939 0.1119 0.0792 ( 471 PWs) bands (ev): -6.4817 -6.4817 2.1293 2.1293 5.0768 5.0768 5.2703 5.2703 6.7403 6.7403 9.1733 9.1733 9.3278 9.3278 10.5414 10.5414 k = 0.2041 0.1178 0.0833 ( 483 PWs) bands (ev): -6.4343 -6.4343 1.9365 1.9365 5.0313 5.0313 5.2245 5.2245 6.7032 6.7032 9.2222 9.2222 9.3762 9.3762 10.7244 10.7244 k = 0.2143 0.1237 0.0875 ( 483 PWs) bands (ev): -6.3848 -6.3848 1.7459 1.7459 4.9875 4.9875 5.1804 5.1804 6.6658 6.6658 9.2704 9.2704 9.4236 9.4236 10.9089 10.9089 k = 0.2245 0.1296 0.0916 ( 477 PWs) bands (ev): -6.3330 -6.3330 1.5577 1.5577 4.9453 4.9453 5.1380 5.1380 6.6280 6.6280 9.3154 9.3154 9.4677 9.4677 11.0948 11.0948 k = 0.2347 0.1355 0.0958 ( 477 PWs) bands (ev): -6.2793 -6.2793 1.3716 1.3716 4.9033 4.9033 5.0958 5.0958 6.5902 6.5902 9.3563 9.3563 9.5073 9.5073 11.2811 11.2811 k = 0.2449 0.1414 0.1000 ( 477 PWs) bands (ev): -6.2236 -6.2236 1.1881 1.1881 4.8623 4.8623 5.0546 5.0546 6.5526 6.5526 9.3932 9.3932 9.5426 9.5426 11.4680 11.4680 k = 0.2551 0.1473 0.1041 ( 477 PWs) bands (ev): -6.1660 -6.1660 1.0072 1.0072 4.8225 4.8225 5.0146 5.0146 6.5154 6.5154 9.4259 9.4259 9.5737 9.5737 11.6552 11.6552 k = 0.2653 0.1532 0.1083 ( 477 PWs) bands (ev): -6.1066 -6.1066 0.8291 0.8291 4.7840 4.7840 4.9759 4.9759 6.4790 6.4790 9.4546 9.4546 9.6005 9.6005 11.8422 11.8422 k = 0.2755 0.1591 0.1125 ( 477 PWs) bands (ev): -6.0455 -6.0455 0.6540 0.6540 4.7467 4.7467 4.9385 4.9385 6.4434 6.4434 9.4792 9.4792 9.6230 9.6230 12.0287 12.0287 k = 0.2857 0.1650 0.1166 ( 471 PWs) bands (ev): -5.9829 -5.9829 0.4821 0.4821 4.7108 4.7108 4.9024 4.9024 6.4093 6.4093 9.5004 9.5004 9.6419 9.6419 12.2155 12.2155 k = 0.2959 0.1708 0.1208 ( 471 PWs) bands (ev): -5.9188 -5.9188 0.3134 0.3134 4.6763 4.6763 4.8678 4.8678 6.3758 6.3758 9.5172 9.5172 9.6564 9.6564 12.3979 12.3979 k = 0.3061 0.1767 0.1250 ( 468 PWs) bands (ev): -5.8533 -5.8533 0.1485 0.1485 4.6433 4.6433 4.8348 4.8348 6.3441 6.3441 9.5305 9.5305 9.6674 9.6674 12.5769 12.5769 k = 0.3163 0.1826 0.1291 ( 468 PWs) bands (ev): -5.7868 -5.7868 -0.0128 -0.0128 4.6118 4.6118 4.8032 4.8032 6.3131 6.3131 9.5406 9.5406 9.6751 9.6751 12.7464 12.7464 k = 0.3265 0.1885 0.1333 ( 468 PWs) bands (ev): -5.7194 -5.7194 -0.1701 -0.1701 4.5818 4.5818 4.7731 4.7731 6.2835 6.2835 9.5478 9.5478 9.6800 9.6800 12.9022 12.9022 k = 0.3367 0.1944 0.1375 ( 468 PWs) bands (ev): -5.6513 -5.6513 -0.3231 -0.3231 4.5534 4.5534 4.7447 4.7447 6.2554 6.2554 9.5524 9.5524 9.6823 9.6823 13.0355 13.0355 k = 0.3469 0.2003 0.1416 ( 468 PWs) bands (ev): -5.5828 -5.5828 -0.4715 -0.4715 4.5267 4.5267 4.7178 4.7178 6.2287 6.2287 9.5548 9.5548 9.6824 9.6824 13.1365 13.1365 k = 0.3571 0.2062 0.1458 ( 468 PWs) bands (ev): -5.5143 -5.5143 -0.6150 -0.6150 4.5015 4.5015 4.6926 4.6926 6.2036 6.2036 9.5553 9.5553 9.6808 9.6808 13.2003 13.2003 k = 0.3673 0.2121 0.1500 ( 465 PWs) bands (ev): -5.4459 -5.4459 -0.7532 -0.7532 4.4781 4.4781 4.6692 4.6692 6.1796 6.1796 9.5544 9.5544 9.6777 9.6777 13.2325 13.2325 k = 0.3776 0.2180 0.1541 ( 468 PWs) bands (ev): -5.3784 -5.3784 -0.8855 -0.8855 4.4563 4.4563 4.6473 4.6473 6.1564 6.1564 9.5520 9.5520 9.6735 9.6735 13.2414 13.2414 k = 0.3878 0.2239 0.1583 ( 468 PWs) bands (ev): -5.3120 -5.3120 -1.0116 -1.0116 4.4361 4.4361 4.6272 4.6272 6.1362 6.1362 9.5487 9.5487 9.6685 9.6685 13.2379 13.2379 k = 0.3980 0.2298 0.1625 ( 467 PWs) bands (ev): -5.2473 -5.2473 -1.1307 -1.1307 4.4177 4.4177 4.6087 4.6087 6.1177 6.1177 9.5448 9.5448 9.6629 9.6629 13.2276 13.2276 k = 0.4082 0.2357 0.1666 ( 467 PWs) bands (ev): -5.1851 -5.1851 -1.2423 -1.2423 4.4010 4.4010 4.5920 4.5920 6.1008 6.1008 9.5405 9.5405 9.6571 9.6571 13.2136 13.2136 k = 0.4184 0.2415 0.1708 ( 470 PWs) bands (ev): -5.1259 -5.1259 -1.3457 -1.3457 4.3860 4.3860 4.5770 4.5770 6.0857 6.0857 9.5359 9.5359 9.6512 9.6512 13.1984 13.1984 k = 0.4286 0.2474 0.1750 ( 470 PWs) bands (ev): -5.0706 -5.0706 -1.4401 -1.4401 4.3728 4.3728 4.5638 4.5638 6.0723 6.0723 9.5315 9.5315 9.6456 9.6456 13.1833 13.1833 k = 0.4388 0.2533 0.1791 ( 470 PWs) bands (ev): -5.0201 -5.0201 -1.5245 -1.5245 4.3613 4.3613 4.5523 4.5523 6.0607 6.0607 9.5274 9.5274 9.6404 9.6404 13.1691 13.1691 k = 0.4490 0.2592 0.1833 ( 470 PWs) bands (ev): -4.9752 -4.9752 -1.5981 -1.5981 4.3516 4.3516 4.5426 4.5426 6.0508 6.0508 9.5236 9.5236 9.6358 9.6358 13.1565 13.1565 k = 0.4592 0.2651 0.1875 ( 464 PWs) bands (ev): -4.9368 -4.9368 -1.6599 -1.6599 4.3438 4.3438 4.5347 4.5347 6.0427 6.0427 9.5222 9.5222 9.6338 9.6338 13.1458 13.1458 k = 0.4694 0.2710 0.1916 ( 464 PWs) bands (ev): -4.9059 -4.9059 -1.7091 -1.7091 4.3376 4.3376 4.5285 4.5285 6.0364 6.0364 9.5195 9.5195 9.6306 9.6306 13.1372 13.1372 k = 0.4796 0.2769 0.1958 ( 464 PWs) bands (ev): -4.8832 -4.8832 -1.7449 -1.7449 4.3332 4.3332 4.5241 4.5241 6.0319 6.0319 9.5176 9.5176 9.6282 9.6282 13.1310 13.1310 k = 0.4898 0.2828 0.2000 ( 464 PWs) bands (ev): -4.8692 -4.8692 -1.7666 -1.7666 4.3305 4.3305 4.5215 4.5215 6.0292 6.0292 9.5164 9.5164 9.6268 9.6268 13.1272 13.1272 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): -4.8646 -4.8646 -1.7739 -1.7739 4.3296 4.3296 4.5206 4.5206 6.0283 6.0283 9.5160 9.5160 9.6263 9.6263 13.1259 13.1259 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): -4.8646 -4.8646 -1.7739 -1.7739 4.3296 4.3296 4.5206 4.5206 6.0283 6.0283 9.5160 9.5160 9.6263 9.6263 13.1259 13.1259 k = 0.5036 0.2784 0.2100 ( 464 PWs) bands (ev): -4.8633 -4.8633 -1.7737 -1.7737 4.3189 4.3189 4.5091 4.5091 6.0481 6.0481 9.5169 9.5169 9.6272 9.6272 13.1327 13.1327 k = 0.5071 0.2681 0.2158 ( 464 PWs) bands (ev): -4.8595 -4.8595 -1.7731 -1.7731 4.2837 4.2837 4.4806 4.4806 6.1043 6.1043 9.5180 9.5180 9.6319 9.6319 13.1529 13.1529 k = 0.5107 0.2577 0.2216 ( 464 PWs) bands (ev): -4.8531 -4.8531 -1.7721 -1.7721 4.2190 4.2190 4.4471 4.4471 6.1899 6.1899 9.5151 9.5151 9.6450 9.6450 13.1854 13.1854 k = 0.5143 0.2474 0.2275 ( 464 PWs) bands (ev): -4.8442 -4.8442 -1.7708 -1.7708 4.1259 4.1259 4.4155 4.4155 6.2967 6.2967 9.5053 9.5053 9.6705 9.6705 13.2286 13.2286 k = 0.5179 0.2371 0.2333 ( 462 PWs) bands (ev): -4.8327 -4.8327 -1.7692 -1.7692 4.0121 4.0121 4.3856 4.3856 6.4175 6.4175 9.4890 9.4890 9.7089 9.7089 13.2809 13.2809 k = 0.5214 0.2268 0.2391 ( 461 PWs) bands (ev): -4.8187 -4.8187 -1.7674 -1.7674 3.8842 3.8842 4.3551 4.3551 6.5461 6.5461 9.4699 9.4699 9.7590 9.7590 13.3382 13.3382 k = 0.5250 0.2165 0.2449 ( 459 PWs) bands (ev): -4.8022 -4.8022 -1.7655 -1.7655 3.7479 3.7479 4.3235 4.3235 6.6782 6.6782 9.4505 9.4505 9.8195 9.8195 13.3977 13.3977 k = 0.5286 0.2062 0.2508 ( 459 PWs) bands (ev): -4.7831 -4.7831 -1.7637 -1.7637 3.6066 3.6066 4.2891 4.2891 6.8094 6.8094 9.4342 9.4342 9.8894 9.8894 13.4538 13.4538 k = 0.5321 0.1959 0.2566 ( 459 PWs) bands (ev): -4.7615 -4.7615 -1.7621 -1.7621 3.4628 3.4628 4.2524 4.2524 6.9364 6.9364 9.4239 9.4239 9.9681 9.9681 13.5013 13.5013 k = 0.5357 0.1856 0.2624 ( 457 PWs) bands (ev): -4.7374 -4.7374 -1.7609 -1.7609 3.3182 3.3182 4.2135 4.2135 7.0560 7.0560 9.4230 9.4230 10.0551 10.0551 13.5336 13.5336 k = 0.5393 0.1753 0.2683 ( 457 PWs) bands (ev): -4.7109 -4.7109 -1.7602 -1.7602 3.1741 3.1741 4.1725 4.1725 7.1648 7.1648 9.4345 9.4345 10.1495 10.1495 13.5440 13.5440 k = 0.5429 0.1650 0.2741 ( 457 PWs) bands (ev): -4.6818 -4.6818 -1.7604 -1.7604 3.0315 3.0315 4.1297 4.1297 7.2600 7.2600 9.4615 9.4615 10.2511 10.2511 13.5264 13.5264 k = 0.5464 0.1546 0.2799 ( 455 PWs) bands (ev): -4.6503 -4.6503 -1.7616 -1.7616 2.8916 2.8916 4.0855 4.0855 7.3395 7.3395 9.5069 9.5069 10.3601 10.3601 13.4782 13.4782 k = 0.5500 0.1443 0.2858 ( 453 PWs) bands (ev): -4.6164 -4.6164 -1.7641 -1.7641 2.7546 2.7546 4.0401 4.0401 7.4014 7.4014 9.5727 9.5727 10.4760 10.4760 13.3989 13.3989 k = 0.5536 0.1340 0.2916 ( 455 PWs) bands (ev): -4.5800 -4.5800 -1.7683 -1.7683 2.6216 2.6216 3.9935 3.9935 7.4455 7.4455 9.6574 9.6574 10.5960 10.5960 13.2924 13.2924 k = 0.5571 0.1237 0.2974 ( 453 PWs) bands (ev): -4.5413 -4.5413 -1.7744 -1.7744 2.4931 2.4931 3.9466 3.9466 7.4728 7.4728 9.7620 9.7620 10.7234 10.7234 13.1654 13.1654 k = 0.5607 0.1134 0.3033 ( 455 PWs) bands (ev): -4.5002 -4.5002 -1.7829 -1.7829 2.3697 2.3697 3.8991 3.8991 7.4847 7.4847 9.8830 9.8830 10.8536 10.8536 13.0229 13.0229 k = 0.5643 0.1031 0.3091 ( 457 PWs) bands (ev): -4.4569 -4.4569 -1.7941 -1.7941 2.2521 2.2521 3.8516 3.8516 7.4836 7.4836 10.0201 10.0201 10.9884 10.9884 12.8679 12.8679 k = 0.5679 0.0928 0.3149 ( 457 PWs) bands (ev): -4.4112 -4.4112 -1.8082 -1.8082 2.1408 2.1408 3.8043 3.8043 7.4722 7.4722 10.1699 10.1699 11.1272 11.1272 12.7083 12.7083 k = 0.5714 0.0825 0.3208 ( 461 PWs) bands (ev): -4.3634 -4.3634 -1.8259 -1.8259 2.0360 2.0360 3.7573 3.7573 7.4518 7.4518 10.3283 10.3283 11.2690 11.2690 12.5442 12.5442 k = 0.5750 0.0722 0.3266 ( 461 PWs) bands (ev): -4.3134 -4.3134 -1.8472 -1.8472 1.9390 1.9390 3.7109 3.7109 7.4257 7.4257 10.4955 10.4955 11.4139 11.4139 12.3807 12.3807 k = 0.5786 0.0619 0.3324 ( 458 PWs) bands (ev): -4.2614 -4.2614 -1.8724 -1.8724 1.8499 1.8499 3.6652 3.6652 7.3951 7.3951 10.6669 10.6669 11.5607 11.5607 12.2207 12.2207 k = 0.5821 0.0515 0.3383 ( 458 PWs) bands (ev): -4.2074 -4.2074 -1.9020 -1.9020 1.7691 1.7691 3.6204 3.6204 7.3614 7.3614 10.8366 10.8366 11.7070 11.7070 12.0697 12.0697 k = 0.5857 0.0412 0.3441 ( 458 PWs) bands (ev): -4.1517 -4.1517 -1.9359 -1.9359 1.6969 1.6969 3.5766 3.5766 7.3256 7.3256 10.9955 10.9955 11.8338 11.8338 11.9556 11.9556 k = 0.5893 0.0309 0.3499 ( 456 PWs) bands (ev): -4.0943 -4.0943 -1.9743 -1.9743 1.6335 1.6335 3.5342 3.5342 7.2887 7.2887 11.1208 11.1208 11.8096 11.8096 12.0332 12.0332 k = 0.5929 0.0206 0.3558 ( 455 PWs) bands (ev): -4.0354 -4.0354 -2.0171 -2.0171 1.5793 1.5793 3.4929 3.4929 7.2516 7.2516 11.1679 11.1679 11.7984 11.7984 12.1782 12.1782 k = 0.5964 0.0103 0.3616 ( 455 PWs) bands (ev): -3.9754 -3.9754 -2.0640 -2.0640 1.5342 1.5342 3.4531 3.4531 7.2146 7.2146 11.1148 11.1148 11.8862 11.8862 12.3266 12.3266 k = 0.6000-0.0000 0.3674 ( 455 PWs) bands (ev): -3.9146 -3.9146 -2.1146 -2.1146 1.4981 1.4981 3.4148 3.4148 7.1782 7.1782 11.0010 11.0010 12.0361 12.0361 12.4737 12.4737 k = 0.6036-0.0103 0.3733 ( 455 PWs) bands (ev): -3.8535 -3.8535 -2.1682 -2.1682 1.4711 1.4711 3.3781 3.3781 7.1430 7.1430 10.8623 10.8623 12.2117 12.2117 12.6176 12.6176 k = 0.6071-0.0206 0.3791 ( 459 PWs) bands (ev): -3.7928 -3.7928 -2.2242 -2.2242 1.4528 1.4528 3.3428 3.3428 7.1087 7.1087 10.7137 10.7137 12.3960 12.3960 12.7553 12.7553 k = 0.6107-0.0309 0.3849 ( 457 PWs) bands (ev): -3.7333 -3.7333 -2.2810 -2.2810 1.4430 1.4430 3.3097 3.3097 7.0768 7.0768 10.5618 10.5618 12.5814 12.5814 12.8892 12.8892 k = 0.6143-0.0412 0.3908 ( 459 PWs) bands (ev): -3.6763 -3.6763 -2.3373 -2.3373 1.4413 1.4413 3.2784 3.2784 7.0464 7.0464 10.4090 10.4090 12.7573 12.7573 13.0138 13.0138 k = 0.6179-0.0515 0.3966 ( 460 PWs) bands (ev): -3.6235 -3.6235 -2.3909 -2.3909 1.4473 1.4473 3.2491 3.2491 7.0179 7.0179 10.2573 10.2573 12.9163 12.9163 13.1292 13.1292 k = 0.6214-0.0619 0.4024 ( 458 PWs) bands (ev): -3.5772 -3.5772 -2.4390 -2.4390 1.4606 1.4606 3.2219 3.2219 6.9919 6.9919 10.1073 10.1073 13.0491 13.0491 13.2349 13.2349 k = 0.6250-0.0722 0.4082 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.6250-0.0722 0.4082 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.6188-0.0686 0.4185 ( 458 PWs) bands (ev): -3.5390 -3.5390 -2.4793 -2.4793 1.4818 1.4818 3.1885 3.1885 6.9814 6.9814 9.9606 9.9606 13.1275 13.1275 13.2887 13.2887 k = 0.6125-0.0650 0.4287 ( 462 PWs) bands (ev): -3.5347 -3.5347 -2.4823 -2.4823 1.4851 1.4851 3.1644 3.1644 7.0209 7.0209 9.9630 9.9630 13.0754 13.0754 13.1933 13.1933 k = 0.6062-0.0613 0.4389 ( 462 PWs) bands (ev): -3.5276 -3.5276 -2.4871 -2.4871 1.4907 1.4907 3.1254 3.1254 7.0854 7.0854 9.9684 9.9684 12.9900 12.9900 13.0740 13.0740 k = 0.6000-0.0577 0.4491 ( 458 PWs) bands (ev): -3.5176 -3.5176 -2.4938 -2.4938 1.4985 1.4985 3.0736 3.0736 7.1740 7.1740 9.9763 9.9763 12.8707 12.8707 12.9496 12.9496 k = 0.5938-0.0541 0.4593 ( 460 PWs) bands (ev): -3.5049 -3.5049 -2.5028 -2.5028 1.5085 1.5085 3.0105 3.0105 7.2832 7.2832 9.9842 9.9842 12.7265 12.7265 12.8217 12.8217 k = 0.5875-0.0505 0.4695 ( 460 PWs) bands (ev): -3.4892 -3.4892 -2.5139 -2.5139 1.5207 1.5207 2.9386 2.9386 7.4118 7.4118 9.9960 9.9960 12.5716 12.5716 12.6861 12.6861 k = 0.5813-0.0469 0.4797 ( 460 PWs) bands (ev): -3.4707 -3.4707 -2.5273 -2.5273 1.5350 1.5350 2.8602 2.8602 7.5575 7.5575 10.0098 10.0098 12.4122 12.4122 12.5420 12.5420 k = 0.5750-0.0433 0.4899 ( 455 PWs) bands (ev): -3.4493 -3.4493 -2.5431 -2.5431 1.5515 1.5515 2.7772 2.7772 7.7195 7.7195 10.0260 10.0260 12.2514 12.2514 12.3913 12.3913 k = 0.5687-0.0397 0.5001 ( 460 PWs) bands (ev): -3.4252 -3.4252 -2.5616 -2.5616 1.5701 1.5701 2.6912 2.6912 7.8928 7.8928 10.0436 10.0436 12.0893 12.0893 12.2333 12.2333 k = 0.5625-0.0361 0.5103 ( 460 PWs) bands (ev): -3.3981 -3.3981 -2.5827 -2.5827 1.5909 1.5909 2.6044 2.6044 8.0789 8.0789 10.0632 10.0632 11.9287 11.9287 12.0729 12.0729 k = 0.5563-0.0325 0.5205 ( 460 PWs) bands (ev): -3.3683 -3.3683 -2.6067 -2.6067 1.6137 1.6137 2.5181 2.5181 8.2754 8.2754 10.0847 10.0847 11.7693 11.7694 11.9098 11.9098 k = 0.5500-0.0289 0.5307 ( 460 PWs) bands (ev): -3.3356 -3.3356 -2.6337 -2.6337 1.6386 1.6386 2.4334 2.4334 8.4811 8.4811 10.1078 10.1078 11.6118 11.6119 11.7452 11.7452 k = 0.5437-0.0253 0.5409 ( 462 PWs) bands (ev): -3.3001 -3.3001 -2.6638 -2.6638 1.6654 1.6654 2.3515 2.3515 8.6947 8.6947 10.1323 10.1323 11.4549 11.4549 11.5793 11.5793 k = 0.5375-0.0217 0.5511 ( 462 PWs) bands (ev): -3.2618 -3.2618 -2.6972 -2.6972 1.6941 1.6941 2.2734 2.2734 8.9155 8.9155 10.1579 10.1579 11.3027 11.3027 11.4142 11.4142 k = 0.5312-0.0180 0.5613 ( 458 PWs) bands (ev): -3.2206 -3.2206 -2.7340 -2.7340 1.7247 1.7247 2.1999 2.1999 9.1441 9.1441 10.1844 10.1844 11.1544 11.1544 11.2503 11.2503 k = 0.5250-0.0144 0.5715 ( 460 PWs) bands (ev): -3.1767 -3.1767 -2.7743 -2.7743 1.7569 1.7569 2.1317 2.1317 9.3757 9.3757 10.2099 10.2099 11.0102 11.0102 11.0864 11.0864 k = 0.5188-0.0108 0.5818 ( 462 PWs) bands (ev): -3.1300 -3.1300 -2.8182 -2.8182 1.7903 1.7903 2.0696 2.0696 9.6096 9.6096 10.2334 10.2334 10.8738 10.8738 10.9274 10.9274 k = 0.5125-0.0072 0.5920 ( 464 PWs) bands (ev): -3.0807 -3.0807 -2.8656 -2.8656 1.8244 1.8244 2.0149 2.0149 9.8408 9.8408 10.2519 10.2519 10.7485 10.7485 10.7749 10.7749 k = 0.5062-0.0036 0.6022 ( 464 PWs) bands (ev): -3.0290 -3.0290 -2.9161 -2.9161 1.8561 1.8561 1.9706 1.9706 10.0496 10.0496 10.2647 10.2647 10.6340 10.6340 10.6519 10.6519 k = 0.5000-0.0000 0.6124 ( 464 PWs) bands (ev): -2.9852 -2.9852 -2.9596 -2.9596 1.8728 1.8728 1.9497 1.9497 10.1430 10.1430 10.2858 10.2858 10.5757 10.5757 10.5904 10.5905 k = 0.5000-0.0000 0.6124 ( 464 PWs) bands (ev): -2.9852 -2.9852 -2.9596 -2.9596 1.8728 1.8728 1.9497 1.9497 10.1430 10.1430 10.2858 10.2858 10.5757 10.5757 10.5904 10.5905 k = 0.5000 0.0072 0.6022 ( 464 PWs) bands (ev): -3.0534 -3.0534 -2.8915 -2.8915 1.8437 1.8437 1.9830 1.9830 10.0979 10.0979 10.2908 10.2908 10.5488 10.5488 10.6625 10.6625 k = 0.5000 0.0144 0.5920 ( 464 PWs) bands (ev): -3.1328 -3.1328 -2.8125 -2.8125 1.7978 1.7978 2.0418 2.0418 10.0096 10.0096 10.2559 10.2559 10.5913 10.5913 10.7585 10.7585 k = 0.5000 0.0217 0.5818 ( 462 PWs) bands (ev): -3.2120 -3.2120 -2.7338 -2.7338 1.7536 1.7536 2.1076 2.1076 9.9106 9.9106 10.1874 10.1874 10.6811 10.6811 10.8629 10.8629 k = 0.5000 0.0289 0.5715 ( 460 PWs) bands (ev): -3.2908 -3.2908 -2.6561 -2.6561 1.7137 1.7137 2.1776 2.1776 9.8086 9.8086 10.1079 10.1079 10.7890 10.7890 10.9738 10.9738 k = 0.5000 0.0361 0.5613 ( 460 PWs) bands (ev): -3.3688 -3.3688 -2.5799 -2.5799 1.6793 1.6793 2.2509 2.2509 9.7061 9.7061 10.0268 10.0268 10.9043 10.9043 11.0866 11.0866 k = 0.5000 0.0433 0.5511 ( 458 PWs) bands (ev): -3.4457 -3.4457 -2.5053 -2.5053 1.6509 1.6509 2.3271 2.3271 9.6044 9.6044 9.9472 9.9472 11.0252 11.0252 11.2035 11.2035 k = 0.5000 0.0505 0.5409 ( 460 PWs) bands (ev): -3.5216 -3.5216 -2.4330 -2.4330 1.6290 1.6290 2.4057 2.4057 9.5031 9.5031 9.8703 9.8703 11.1481 11.1481 11.3210 11.3210 k = 0.5000 0.0577 0.5307 ( 462 PWs) bands (ev): -3.5962 -3.5962 -2.3632 -2.3632 1.6141 1.6141 2.4865 2.4865 9.4030 9.4030 9.7965 9.7965 11.2735 11.2735 11.4397 11.4397 k = 0.5000 0.0650 0.5205 ( 460 PWs) bands (ev): -3.6694 -3.6694 -2.2962 -2.2962 1.6068 1.6068 2.5692 2.5692 9.3040 9.3040 9.7270 9.7270 11.4015 11.4015 11.5595 11.5595 k = 0.5000 0.0722 0.5103 ( 460 PWs) bands (ev): -3.7410 -3.7410 -2.2326 -2.2326 1.6072 1.6072 2.6533 2.6533 9.2061 9.2061 9.6611 9.6611 11.5297 11.5297 11.6787 11.6787 k = 0.5000 0.0794 0.5001 ( 460 PWs) bands (ev): -3.8109 -3.8109 -2.1727 -2.1727 1.6159 1.6159 2.7387 2.7387 9.1092 9.1092 9.5993 9.5993 11.6581 11.6581 11.7963 11.7963 k = 0.5000 0.0866 0.4899 ( 462 PWs) bands (ev): -3.8791 -3.8791 -2.1167 -2.1167 1.6330 1.6330 2.8250 2.8250 9.0121 9.0121 9.5410 9.5410 11.7851 11.7851 11.9116 11.9116 k = 0.5000 0.0938 0.4797 ( 464 PWs) bands (ev): -3.9454 -3.9454 -2.0649 -2.0649 1.6589 1.6589 2.9119 2.9119 8.9169 8.9169 9.4879 9.4879 11.9059 11.9059 12.0223 12.0223 k = 0.5000 0.1010 0.4695 ( 464 PWs) bands (ev): -4.0098 -4.0098 -2.0176 -2.0176 1.6938 1.6938 2.9991 2.9991 8.8222 8.8222 9.4397 9.4397 12.0100 12.0100 12.1327 12.1327 k = 0.5000 0.1083 0.4593 ( 460 PWs) bands (ev): -4.0721 -4.0721 -1.9745 -1.9745 1.7379 1.7379 3.0867 3.0867 8.7281 8.7281 9.3984 9.3984 12.0796 12.0796 12.2504 12.2504 k = 0.5000 0.1155 0.4491 ( 462 PWs) bands (ev): -4.1324 -4.1324 -1.9363 -1.9363 1.7910 1.7910 3.1737 3.1737 8.6339 8.6339 9.3599 9.3599 12.0991 12.0991 12.3759 12.3759 k = 0.5000 0.1227 0.4389 ( 462 PWs) bands (ev): -4.1906 -4.1906 -1.9025 -1.9025 1.8530 1.8530 3.2600 3.2600 8.5395 8.5395 9.3263 9.3263 12.0634 12.0634 12.5056 12.5056 k = 0.5000 0.1299 0.4287 ( 462 PWs) bands (ev): -4.2466 -4.2466 -1.8731 -1.8731 1.9238 1.9238 3.3454 3.3454 8.4445 8.4445 9.2979 9.2979 11.9749 11.9749 12.6366 12.6366 k = 0.5000 0.1371 0.4185 ( 462 PWs) bands (ev): -4.3004 -4.3004 -1.8479 -1.8479 2.0031 2.0031 3.4295 3.4295 8.3486 8.3486 9.2747 9.2747 11.8453 11.8453 12.7668 12.7668 k = 0.5000 0.1443 0.4082 ( 470 PWs) bands (ev): -4.3519 -4.3519 -1.8267 -1.8267 2.0907 2.0907 3.5116 3.5116 8.2504 8.2504 9.2537 9.2537 11.6883 11.6883 12.8938 12.8938 k = 0.5000 0.1516 0.3980 ( 458 PWs) bands (ev): -4.4010 -4.4010 -1.8089 -1.8089 2.1866 2.1866 3.5927 3.5927 8.1518 8.1518 9.2422 9.2422 11.5196 11.5196 13.0198 13.0198 k = 0.5000 0.1588 0.3878 ( 458 PWs) bands (ev): -4.4478 -4.4478 -1.7947 -1.7947 2.2895 2.2895 3.6711 3.6711 8.0502 8.0502 9.2347 9.2347 11.3427 11.3427 13.1377 13.1377 k = 0.5000 0.1660 0.3776 ( 458 PWs) bands (ev): -4.4923 -4.4923 -1.7834 -1.7834 2.3993 2.3993 3.7470 3.7470 7.9459 7.9459 9.2325 9.2325 11.1652 11.1652 13.2475 13.2475 k = 0.5000 0.1732 0.3674 ( 458 PWs) bands (ev): -4.5343 -4.5343 -1.7748 -1.7748 2.5156 2.5156 3.8201 3.8201 7.8381 7.8381 9.2354 9.2354 10.9907 10.9907 13.3464 13.3464 k = 0.5000 0.1804 0.3572 ( 458 PWs) bands (ev): -4.5740 -4.5740 -1.7686 -1.7686 2.6378 2.6378 3.8901 3.8901 7.7267 7.7267 9.2432 9.2432 10.8221 10.8221 13.4312 13.4312 k = 0.5000 0.1876 0.3470 ( 458 PWs) bands (ev): -4.6111 -4.6111 -1.7643 -1.7643 2.7653 2.7653 3.9568 3.9568 7.6110 7.6110 9.2557 9.2557 10.6613 10.6613 13.4985 13.4985 k = 0.5000 0.1949 0.3368 ( 458 PWs) bands (ev): -4.6458 -4.6458 -1.7616 -1.7616 2.8975 2.8975 4.0198 4.0198 7.4910 7.4910 9.2725 9.2725 10.5098 10.5098 13.5452 13.5452 k = 0.5000 0.2021 0.3266 ( 460 PWs) bands (ev): -4.6780 -4.6780 -1.7603 -1.7603 3.0336 3.0336 4.0790 4.0790 7.3665 7.3665 9.2932 9.2932 10.3662 10.3662 13.5690 13.5690 k = 0.5000 0.2093 0.3164 ( 458 PWs) bands (ev): -4.7076 -4.7076 -1.7601 -1.7601 3.1730 3.1730 4.1346 4.1346 7.2377 7.2377 9.3173 9.3173 10.2365 10.2365 13.5699 13.5699 k = 0.5000 0.2165 0.3062 ( 458 PWs) bands (ev): -4.7348 -4.7348 -1.7607 -1.7607 3.3147 3.3147 4.1858 4.1858 7.1051 7.1051 9.3442 9.3442 10.1185 10.1185 13.5494 13.5494 k = 0.5000 0.2237 0.2960 ( 458 PWs) bands (ev): -4.7594 -4.7594 -1.7620 -1.7620 3.4576 3.4576 4.2329 4.2329 6.9693 6.9693 9.3729 9.3729 10.0128 10.0128 13.5114 13.5114 k = 0.5000 0.2309 0.2858 ( 458 PWs) bands (ev): -4.7814 -4.7814 -1.7636 -1.7636 3.6005 3.6005 4.2758 4.2758 6.8316 6.8316 9.4025 9.4025 9.9194 9.9194 13.4609 13.4609 k = 0.5000 0.2382 0.2756 ( 458 PWs) bands (ev): -4.8009 -4.8009 -1.7654 -1.7654 3.7416 3.7416 4.3148 4.3148 6.6934 6.6934 9.4318 9.4318 9.8385 9.8385 13.4030 13.4030 k = 0.5000 0.2454 0.2654 ( 458 PWs) bands (ev): -4.8177 -4.8177 -1.7673 -1.7673 3.8783 3.8783 4.3502 4.3502 6.5569 6.5569 9.4595 9.4595 9.7702 9.7702 13.3427 13.3427 k = 0.5000 0.2526 0.2552 ( 462 PWs) bands (ev): -4.8320 -4.8320 -1.7691 -1.7691 4.0066 4.0066 4.3827 4.3827 6.4249 6.4249 9.4843 9.4843 9.7147 9.7147 13.2839 13.2839 k = 0.5000 0.2598 0.2449 ( 464 PWs) bands (ev): -4.8437 -4.8437 -1.7707 -1.7707 4.1220 4.1220 4.4137 4.4137 6.3017 6.3017 9.5033 9.5033 9.6731 9.6731 13.2306 13.2306 k = 0.5000 0.2670 0.2347 ( 464 PWs) bands (ev): -4.8528 -4.8528 -1.7721 -1.7721 4.2166 4.2166 4.4460 4.4460 6.1930 6.1930 9.5146 9.5146 9.6459 9.6459 13.1866 13.1866 k = 0.5000 0.2742 0.2245 ( 464 PWs) bands (ev): -4.8594 -4.8594 -1.7731 -1.7731 4.2826 4.2826 4.4799 4.4799 6.1058 6.1058 9.5180 9.5180 9.6321 9.6321 13.1534 13.1534 k = 0.5000 0.2815 0.2143 ( 464 PWs) bands (ev): -4.8633 -4.8633 -1.7737 -1.7737 4.3186 4.3186 4.5089 4.5089 6.0485 6.0485 9.5169 9.5169 9.6273 9.6273 13.1329 13.1329 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): -4.8646 -4.8646 -1.7739 -1.7739 4.3296 4.3296 4.5206 4.5206 6.0283 6.0283 9.5160 9.5160 9.6263 9.6263 13.1259 13.1259 k = 0.5000 0.2887 0.2041 ( 464 PWs) bands (ev): -4.8646 -4.8646 -1.7739 -1.7739 4.3296 4.3296 4.5206 4.5206 6.0283 6.0283 9.5160 9.5160 9.6263 9.6263 13.1259 13.1259 k = 0.4964 0.2866 0.2158 ( 464 PWs) bands (ev): -4.8633 -4.8633 -1.7737 -1.7737 4.3189 4.3189 4.5091 4.5091 6.0481 6.0481 9.5169 9.5169 9.6272 9.6272 13.1327 13.1327 k = 0.4929 0.2846 0.2275 ( 464 PWs) bands (ev): -4.8595 -4.8595 -1.7731 -1.7731 4.2837 4.2837 4.4806 4.4806 6.1043 6.1043 9.5180 9.5180 9.6319 9.6319 13.1529 13.1529 k = 0.4893 0.2825 0.2391 ( 464 PWs) bands (ev): -4.8531 -4.8531 -1.7721 -1.7721 4.2190 4.2190 4.4471 4.4471 6.1899 6.1899 9.5151 9.5151 9.6450 9.6450 13.1854 13.1854 k = 0.4857 0.2804 0.2508 ( 464 PWs) bands (ev): -4.8442 -4.8442 -1.7708 -1.7708 4.1259 4.1259 4.4155 4.4155 6.2967 6.2967 9.5053 9.5053 9.6705 9.6705 13.2286 13.2286 k = 0.4821 0.2784 0.2624 ( 462 PWs) bands (ev): -4.8327 -4.8327 -1.7692 -1.7692 4.0121 4.0121 4.3856 4.3856 6.4175 6.4175 9.4890 9.4890 9.7089 9.7089 13.2809 13.2809 k = 0.4786 0.2763 0.2741 ( 461 PWs) bands (ev): -4.8187 -4.8187 -1.7674 -1.7674 3.8842 3.8842 4.3551 4.3551 6.5461 6.5461 9.4699 9.4699 9.7590 9.7590 13.3382 13.3382 k = 0.4750 0.2742 0.2858 ( 459 PWs) bands (ev): -4.8022 -4.8022 -1.7655 -1.7655 3.7479 3.7479 4.3235 4.3235 6.6782 6.6782 9.4505 9.4505 9.8195 9.8195 13.3977 13.3977 k = 0.4714 0.2722 0.2974 ( 459 PWs) bands (ev): -4.7831 -4.7831 -1.7637 -1.7637 3.6066 3.6066 4.2891 4.2891 6.8094 6.8094 9.4342 9.4342 9.8894 9.8894 13.4538 13.4538 k = 0.4679 0.2701 0.3091 ( 459 PWs) bands (ev): -4.7615 -4.7615 -1.7621 -1.7621 3.4628 3.4628 4.2524 4.2524 6.9364 6.9364 9.4239 9.4239 9.9681 9.9681 13.5013 13.5013 k = 0.4643 0.2681 0.3208 ( 457 PWs) bands (ev): -4.7374 -4.7374 -1.7609 -1.7609 3.3182 3.3182 4.2135 4.2135 7.0560 7.0560 9.4230 9.4230 10.0551 10.0551 13.5336 13.5336 k = 0.4607 0.2660 0.3324 ( 457 PWs) bands (ev): -4.7109 -4.7109 -1.7602 -1.7602 3.1741 3.1741 4.1725 4.1725 7.1648 7.1648 9.4345 9.4345 10.1495 10.1495 13.5440 13.5440 k = 0.4571 0.2639 0.3441 ( 457 PWs) bands (ev): -4.6818 -4.6818 -1.7604 -1.7604 3.0315 3.0315 4.1297 4.1297 7.2600 7.2600 9.4615 9.4615 10.2511 10.2511 13.5264 13.5264 k = 0.4536 0.2619 0.3558 ( 455 PWs) bands (ev): -4.6503 -4.6503 -1.7616 -1.7616 2.8916 2.8916 4.0855 4.0855 7.3395 7.3395 9.5069 9.5069 10.3601 10.3601 13.4782 13.4782 k = 0.4500 0.2598 0.3674 ( 453 PWs) bands (ev): -4.6164 -4.6164 -1.7641 -1.7641 2.7546 2.7546 4.0401 4.0401 7.4014 7.4014 9.5727 9.5727 10.4760 10.4760 13.3989 13.3989 k = 0.4464 0.2577 0.3791 ( 455 PWs) bands (ev): -4.5800 -4.5800 -1.7683 -1.7683 2.6216 2.6216 3.9935 3.9935 7.4455 7.4455 9.6574 9.6574 10.5960 10.5960 13.2924 13.2924 k = 0.4429 0.2557 0.3908 ( 453 PWs) bands (ev): -4.5413 -4.5413 -1.7744 -1.7744 2.4931 2.4931 3.9466 3.9466 7.4728 7.4728 9.7620 9.7620 10.7234 10.7234 13.1654 13.1654 k = 0.4393 0.2536 0.4024 ( 455 PWs) bands (ev): -4.5002 -4.5002 -1.7829 -1.7829 2.3697 2.3697 3.8991 3.8991 7.4847 7.4847 9.8830 9.8830 10.8536 10.8536 13.0229 13.0229 k = 0.4357 0.2516 0.4141 ( 457 PWs) bands (ev): -4.4569 -4.4569 -1.7941 -1.7941 2.2521 2.2521 3.8516 3.8516 7.4836 7.4836 10.0201 10.0201 10.9884 10.9884 12.8679 12.8679 k = 0.4321 0.2495 0.4257 ( 457 PWs) bands (ev): -4.4112 -4.4112 -1.8082 -1.8082 2.1408 2.1408 3.8043 3.8043 7.4722 7.4722 10.1699 10.1699 11.1272 11.1272 12.7083 12.7083 k = 0.4286 0.2474 0.4374 ( 461 PWs) bands (ev): -4.3634 -4.3634 -1.8259 -1.8259 2.0360 2.0360 3.7573 3.7573 7.4518 7.4518 10.3283 10.3283 11.2690 11.2690 12.5442 12.5442 k = 0.4250 0.2454 0.4491 ( 461 PWs) bands (ev): -4.3134 -4.3134 -1.8472 -1.8472 1.9390 1.9390 3.7109 3.7109 7.4257 7.4257 10.4955 10.4955 11.4139 11.4139 12.3807 12.3807 k = 0.4214 0.2433 0.4607 ( 458 PWs) bands (ev): -4.2614 -4.2614 -1.8724 -1.8724 1.8499 1.8499 3.6652 3.6652 7.3951 7.3951 10.6669 10.6669 11.5607 11.5607 12.2207 12.2207 k = 0.4179 0.2412 0.4724 ( 458 PWs) bands (ev): -4.2074 -4.2074 -1.9020 -1.9020 1.7691 1.7691 3.6204 3.6204 7.3614 7.3614 10.8366 10.8366 11.7070 11.7070 12.0697 12.0697 k = 0.4143 0.2392 0.4841 ( 458 PWs) bands (ev): -4.1517 -4.1517 -1.9359 -1.9359 1.6969 1.6969 3.5766 3.5766 7.3256 7.3256 10.9955 10.9955 11.8338 11.8338 11.9556 11.9556 k = 0.4107 0.2371 0.4957 ( 456 PWs) bands (ev): -4.0943 -4.0943 -1.9743 -1.9743 1.6335 1.6335 3.5342 3.5342 7.2887 7.2887 11.1208 11.1208 11.8096 11.8096 12.0332 12.0332 k = 0.4071 0.2351 0.5074 ( 455 PWs) bands (ev): -4.0354 -4.0354 -2.0171 -2.0171 1.5793 1.5793 3.4929 3.4929 7.2516 7.2516 11.1679 11.1679 11.7984 11.7984 12.1782 12.1782 k = 0.4036 0.2330 0.5191 ( 455 PWs) bands (ev): -3.9754 -3.9754 -2.0640 -2.0640 1.5342 1.5342 3.4531 3.4531 7.2146 7.2146 11.1148 11.1148 11.8862 11.8862 12.3266 12.3266 k = 0.4000 0.2309 0.5307 ( 455 PWs) bands (ev): -3.9146 -3.9146 -2.1146 -2.1146 1.4981 1.4981 3.4148 3.4148 7.1782 7.1782 11.0010 11.0010 12.0361 12.0361 12.4737 12.4737 k = 0.3964 0.2289 0.5424 ( 455 PWs) bands (ev): -3.8535 -3.8535 -2.1682 -2.1682 1.4711 1.4711 3.3781 3.3781 7.1430 7.1430 10.8623 10.8623 12.2117 12.2117 12.6176 12.6176 k = 0.3929 0.2268 0.5541 ( 459 PWs) bands (ev): -3.7928 -3.7928 -2.2242 -2.2242 1.4528 1.4528 3.3428 3.3428 7.1087 7.1087 10.7137 10.7137 12.3960 12.3960 12.7553 12.7553 k = 0.3893 0.2248 0.5657 ( 457 PWs) bands (ev): -3.7333 -3.7333 -2.2810 -2.2810 1.4430 1.4430 3.3097 3.3097 7.0768 7.0768 10.5618 10.5618 12.5814 12.5814 12.8892 12.8892 k = 0.3857 0.2227 0.5774 ( 459 PWs) bands (ev): -3.6763 -3.6763 -2.3373 -2.3373 1.4413 1.4413 3.2784 3.2784 7.0464 7.0464 10.4090 10.4090 12.7573 12.7573 13.0138 13.0138 k = 0.3821 0.2206 0.5890 ( 460 PWs) bands (ev): -3.6235 -3.6235 -2.3909 -2.3909 1.4473 1.4473 3.2491 3.2491 7.0179 7.0179 10.2573 10.2573 12.9163 12.9163 13.1292 13.1292 k = 0.3786 0.2186 0.6007 ( 458 PWs) bands (ev): -3.5772 -3.5772 -2.4390 -2.4390 1.4606 1.4606 3.2219 3.2219 6.9919 6.9919 10.1073 10.1073 13.0491 13.0491 13.2349 13.2349 k = 0.3750 0.2165 0.6124 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.6250-0.0722 0.4082 ( 458 PWs) bands (ev): -3.5404 -3.5404 -2.4784 -2.4784 1.4807 1.4807 3.1967 3.1967 6.9681 6.9681 9.9595 9.9595 13.1445 13.1445 13.3252 13.3252 k = 0.6188-0.0830 0.4082 ( 462 PWs) bands (ev): -3.4880 -3.4880 -2.5360 -2.5360 1.5250 1.5250 3.1554 3.1554 6.9292 6.9292 9.7014 9.7014 13.2780 13.2780 13.4703 13.4703 k = 0.6125-0.0938 0.4082 ( 466 PWs) bands (ev): -3.4391 -3.4391 -2.5906 -2.5906 1.5759 1.5759 3.1159 3.1159 6.8919 6.8919 9.4491 9.4491 13.4132 13.4132 13.6146 13.6146 k = 0.6062-0.1046 0.4082 ( 466 PWs) bands (ev): -3.3936 -3.3936 -2.6423 -2.6423 1.6332 1.6332 3.0783 3.0783 6.8562 6.8562 9.2029 9.2029 13.5503 13.5503 13.7596 13.7596 k = 0.6000-0.1155 0.4082 ( 462 PWs) bands (ev): -3.3516 -3.3516 -2.6909 -2.6909 1.6965 1.6965 3.0427 3.0427 6.8223 6.8223 8.9618 8.9618 13.6886 13.6886 13.9041 13.9041 k = 0.5938-0.1263 0.4082 ( 464 PWs) bands (ev): -3.3131 -3.3131 -2.7367 -2.7367 1.7654 1.7654 3.0091 3.0091 6.7899 6.7899 8.7263 8.7263 13.8279 13.8279 14.0473 14.0473 k = 0.5875-0.1371 0.4082 ( 464 PWs) bands (ev): -3.2779 -3.2779 -2.7796 -2.7796 1.8393 1.8393 2.9776 2.9776 6.7595 6.7595 8.4970 8.4970 13.9678 13.9678 14.1887 14.1887 k = 0.5813-0.1479 0.4082 ( 464 PWs) bands (ev): -3.2460 -3.2460 -2.8194 -2.8194 1.9176 1.9176 2.9480 2.9480 6.7310 6.7310 8.2745 8.2745 14.1079 14.1079 14.3278 14.3278 k = 0.5750-0.1588 0.4082 ( 460 PWs) bands (ev): -3.2171 -3.2171 -2.8562 -2.8562 1.9994 1.9994 2.9206 2.9206 6.7046 6.7046 8.0606 8.0606 14.2479 14.2479 14.4640 14.4640 k = 0.5687-0.1696 0.4082 ( 460 PWs) bands (ev): -3.1914 -3.1914 -2.8902 -2.8902 2.0839 2.0839 2.8952 2.8952 6.6799 6.6799 7.8543 7.8543 14.3868 14.3868 14.5963 14.5963 k = 0.5625-0.1804 0.4082 ( 460 PWs) bands (ev): -3.1686 -3.1686 -2.9212 -2.9212 2.1700 2.1700 2.8720 2.8720 6.6574 6.6574 7.6575 7.6575 14.5240 14.5240 14.7239 14.7239 k = 0.5563-0.1912 0.4082 ( 460 PWs) bands (ev): -3.1485 -3.1485 -2.9493 -2.9493 2.2564 2.2564 2.8510 2.8510 6.6368 6.6368 7.4713 7.4713 14.6587 14.6587 14.8457 14.8457 k = 0.5500-0.2021 0.4082 ( 462 PWs) bands (ev): -3.1309 -3.1309 -2.9744 -2.9744 2.3417 2.3417 2.8321 2.8321 6.6180 6.6180 7.2970 7.2970 14.7893 14.7893 14.9604 14.9604 k = 0.5437-0.2129 0.4082 ( 462 PWs) bands (ev): -3.1159 -3.1159 -2.9966 -2.9966 2.4243 2.4243 2.8153 2.8153 6.6017 6.6017 7.1362 7.1362 14.9150 14.9150 15.0669 15.0670 k = 0.5375-0.2237 0.4082 ( 462 PWs) bands (ev): -3.1031 -3.1031 -3.0158 -3.0158 2.5022 2.5022 2.8008 2.8008 6.5875 6.5875 6.9908 6.9908 15.0337 15.0337 15.1637 15.1637 k = 0.5312-0.2345 0.4082 ( 462 PWs) bands (ev): -3.0925 -3.0925 -3.0320 -3.0320 2.5736 2.5736 2.7885 2.7885 6.5754 6.5754 6.8625 6.8625 15.1432 15.1432 15.2491 15.2491 k = 0.5250-0.2454 0.4082 ( 464 PWs) bands (ev): -3.0841 -3.0841 -3.0453 -3.0453 2.6362 2.6362 2.7784 2.7784 6.5652 6.5652 6.7534 6.7534 15.2400 15.2400 15.3214 15.3214 k = 0.5188-0.2562 0.4082 ( 464 PWs) bands (ev): -3.0776 -3.0776 -3.0556 -3.0556 2.6878 2.6878 2.7706 2.7706 6.5575 6.5575 6.6657 6.6658 15.3220 15.3220 15.3792 15.3792 k = 0.5125-0.2670 0.4082 ( 464 PWs) bands (ev): -3.0730 -3.0730 -3.0630 -3.0630 2.7264 2.7264 2.7650 2.7650 6.5520 6.5520 6.6014 6.6014 15.3854 15.3854 15.4205 15.4205 k = 0.5062-0.2778 0.4082 ( 464 PWs) bands (ev): -3.0702 -3.0702 -3.0675 -3.0675 2.7504 2.7504 2.7615 2.7615 6.5488 6.5488 6.5620 6.5620 15.4273 15.4273 15.4437 15.4437 k = 0.5000-0.2887 0.4082 ( 460 PWs) bands (ev): -3.0690 -3.0690 -3.0690 -3.0690 2.7596 2.7596 2.7596 2.7596 6.5498 6.5498 6.5498 6.5498 15.4466 15.4466 15.4466 15.4466 Writing output data file Ge.save init_run : 0.03s CPU 0.11s WALL ( 1 calls) electrons : 13.65s CPU 14.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 13.65s CPU 14.19s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.00s WALL ( 372 calls) cegterg : 12.36s CPU 12.75s WALL ( 372 calls) Called by sum_band: Called by *egterg: h_psi : 5.54s CPU 5.77s WALL ( 4230 calls) s_psi : 0.04s CPU 0.08s WALL ( 4230 calls) g_psi : 0.00s CPU 0.01s WALL ( 3486 calls) cdiaghg : 6.66s CPU 6.76s WALL ( 3858 calls) cegterg:over : 0.38s CPU 0.39s WALL ( 3486 calls) cegterg:upda : 0.28s CPU 0.28s WALL ( 3486 calls) cegterg:last : 0.19s CPU 0.16s WALL ( 949 calls) cdiaghg:chol : 0.41s CPU 0.39s WALL ( 3858 calls) cdiaghg:inve : 0.08s CPU 0.09s WALL ( 3858 calls) cdiaghg:para : 0.50s CPU 0.48s WALL ( 7716 calls) Called by h_psi: h_psi:vloc : 5.23s CPU 5.44s WALL ( 4230 calls) h_psi:vnl : 0.30s CPU 0.32s WALL ( 4230 calls) add_vuspsi : 0.11s CPU 0.10s WALL ( 4230 calls) General routines calbec : 0.16s CPU 0.20s WALL ( 4230 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 4.92s CPU 5.17s WALL ( 193100 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.06s WALL ( 744 calls) Parallel routines fft_scatter : 3.09s CPU 3.25s WALL ( 193123 calls) PWSCF : 17.66s CPU 30.35s WALL This run was terminated on: 18:53:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=