Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7:55 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 8 5 1 125 68 11 Max 9 6 2 130 77 16 Sum 303 209 71 4561 2603 533 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 7.0043 a.u. unit-cell volume = 216.6671 (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)= 7.004346 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.131872 celldm(5)= -0.131872 celldm(6)= -0.736256 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.736256 0.676703 0.000000 ) a(3) = ( -0.131872 -0.338352 0.931734 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.088004 0.536634 ) b(2) = ( 0.000000 1.477753 0.536634 ) b(3) = ( 0.000000 0.000000 1.073268 ) 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) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.3681280 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.3383515 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.1318720 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.3383515 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 462 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 2) = ( 0.0000000 0.0000000 0.0116660), wk = 0.0021645 k( 3) = ( 0.0000000 0.0000000 0.0233319), wk = 0.0021645 k( 4) = ( 0.0000000 0.0000000 0.0349979), wk = 0.0021645 k( 5) = ( 0.0000000 0.0000000 0.0466638), wk = 0.0021645 k( 6) = ( 0.0000000 0.0000000 0.0583298), wk = 0.0021645 k( 7) = ( 0.0000000 0.0000000 0.0699957), wk = 0.0021645 k( 8) = ( 0.0000000 0.0000000 0.0816617), wk = 0.0021645 k( 9) = ( 0.0000000 0.0000000 0.0933276), wk = 0.0021645 k( 10) = ( 0.0000000 0.0000000 0.1049936), wk = 0.0021645 k( 11) = ( 0.0000000 0.0000000 0.1166595), wk = 0.0021645 k( 12) = ( 0.0000000 0.0000000 0.1283255), wk = 0.0021645 k( 13) = ( 0.0000000 0.0000000 0.1399915), wk = 0.0021645 k( 14) = ( 0.0000000 0.0000000 0.1516574), wk = 0.0021645 k( 15) = ( 0.0000000 0.0000000 0.1633234), wk = 0.0021645 k( 16) = ( 0.0000000 0.0000000 0.1749893), wk = 0.0021645 k( 17) = ( 0.0000000 0.0000000 0.1866553), wk = 0.0021645 k( 18) = ( 0.0000000 0.0000000 0.1983212), wk = 0.0021645 k( 19) = ( 0.0000000 0.0000000 0.2099872), wk = 0.0021645 k( 20) = ( 0.0000000 0.0000000 0.2216531), wk = 0.0021645 k( 21) = ( 0.0000000 0.0000000 0.2333191), wk = 0.0021645 k( 22) = ( 0.0000000 0.0000000 0.2449851), wk = 0.0021645 k( 23) = ( 0.0000000 0.0000000 0.2566510), wk = 0.0021645 k( 24) = ( 0.0000000 0.0000000 0.2683170), wk = 0.0021645 k( 25) = ( 0.0000000 0.0000000 0.2799829), wk = 0.0021645 k( 26) = ( 0.0000000 0.0000000 0.2916489), wk = 0.0021645 k( 27) = ( 0.0000000 0.0000000 0.3033148), wk = 0.0021645 k( 28) = ( 0.0000000 0.0000000 0.3149808), wk = 0.0021645 k( 29) = ( 0.0000000 0.0000000 0.3266467), wk = 0.0021645 k( 30) = ( 0.0000000 0.0000000 0.3383127), wk = 0.0021645 k( 31) = ( 0.0000000 0.0000000 0.3499786), wk = 0.0021645 k( 32) = ( 0.0000000 0.0000000 0.3616446), wk = 0.0021645 k( 33) = ( 0.0000000 0.0000000 0.3733106), wk = 0.0021645 k( 34) = ( 0.0000000 0.0000000 0.3849765), wk = 0.0021645 k( 35) = ( 0.0000000 0.0000000 0.3966425), wk = 0.0021645 k( 36) = ( 0.0000000 0.0000000 0.4083084), wk = 0.0021645 k( 37) = ( 0.0000000 0.0000000 0.4199744), wk = 0.0021645 k( 38) = ( 0.0000000 0.0000000 0.4316403), wk = 0.0021645 k( 39) = ( 0.0000000 0.0000000 0.4433063), wk = 0.0021645 k( 40) = ( 0.0000000 0.0000000 0.4549722), wk = 0.0021645 k( 41) = ( 0.0000000 0.0000000 0.4666382), wk = 0.0021645 k( 42) = ( 0.0000000 0.0000000 0.4783041), wk = 0.0021645 k( 43) = ( 0.0000000 0.0000000 0.4899701), wk = 0.0021645 k( 44) = ( 0.0000000 0.0000000 0.5016361), wk = 0.0021645 k( 45) = ( 0.0000000 0.0000000 0.5133020), wk = 0.0021645 k( 46) = ( 0.0000000 0.0000000 0.5249680), wk = 0.0021645 k( 47) = ( 0.0000000 0.0000000 0.5366339), wk = 0.0021645 k( 48) = ( 0.0000000 0.0000000 0.5366339), wk = 0.0021645 k( 49) = ( -0.0108696 0.0042364 0.5366339), wk = 0.0021645 k( 50) = ( -0.0217391 0.0084728 0.5366339), wk = 0.0021645 k( 51) = ( -0.0326087 0.0127092 0.5366339), wk = 0.0021645 k( 52) = ( -0.0434783 0.0169456 0.5366339), wk = 0.0021645 k( 53) = ( -0.0543478 0.0211820 0.5366339), wk = 0.0021645 k( 54) = ( -0.0652174 0.0254184 0.5366339), wk = 0.0021645 k( 55) = ( -0.0760870 0.0296548 0.5366339), wk = 0.0021645 k( 56) = ( -0.0869565 0.0338912 0.5366339), wk = 0.0021645 k( 57) = ( -0.0978261 0.0381276 0.5366339), wk = 0.0021645 k( 58) = ( -0.1086957 0.0423640 0.5366339), wk = 0.0021645 k( 59) = ( -0.1195652 0.0466004 0.5366339), wk = 0.0021645 k( 60) = ( -0.1304348 0.0508368 0.5366339), wk = 0.0021645 k( 61) = ( -0.1413043 0.0550732 0.5366339), wk = 0.0021645 k( 62) = ( -0.1521739 0.0593095 0.5366339), wk = 0.0021645 k( 63) = ( -0.1630435 0.0635459 0.5366339), wk = 0.0021645 k( 64) = ( -0.1739130 0.0677823 0.5366339), wk = 0.0021645 k( 65) = ( -0.1847826 0.0720187 0.5366339), wk = 0.0021645 k( 66) = ( -0.1956522 0.0762551 0.5366339), wk = 0.0021645 k( 67) = ( -0.2065217 0.0804915 0.5366339), wk = 0.0021645 k( 68) = ( -0.2173913 0.0847279 0.5366339), wk = 0.0021645 k( 69) = ( -0.2282609 0.0889643 0.5366339), wk = 0.0021645 k( 70) = ( -0.2391304 0.0932007 0.5366339), wk = 0.0021645 k( 71) = ( -0.2500000 0.0974371 0.5366339), wk = 0.0021645 k( 72) = ( -0.2608696 0.1016735 0.5366339), wk = 0.0021645 k( 73) = ( -0.2717391 0.1059099 0.5366339), wk = 0.0021645 k( 74) = ( -0.2826087 0.1101463 0.5366339), wk = 0.0021645 k( 75) = ( -0.2934783 0.1143827 0.5366339), wk = 0.0021645 k( 76) = ( -0.3043478 0.1186191 0.5366339), wk = 0.0021645 k( 77) = ( -0.3152174 0.1228555 0.5366339), wk = 0.0021645 k( 78) = ( -0.3260870 0.1270919 0.5366339), wk = 0.0021645 k( 79) = ( -0.3369565 0.1313283 0.5366339), wk = 0.0021645 k( 80) = ( -0.3478261 0.1355647 0.5366339), wk = 0.0021645 k( 81) = ( -0.3586956 0.1398011 0.5366339), wk = 0.0021645 k( 82) = ( -0.3695652 0.1440375 0.5366339), wk = 0.0021645 k( 83) = ( -0.3804348 0.1482739 0.5366339), wk = 0.0021645 k( 84) = ( -0.3913044 0.1525103 0.5366339), wk = 0.0021645 k( 85) = ( -0.4021739 0.1567467 0.5366339), wk = 0.0021645 k( 86) = ( -0.4130435 0.1609831 0.5366339), wk = 0.0021645 k( 87) = ( -0.4239130 0.1652195 0.5366339), wk = 0.0021645 k( 88) = ( -0.4347826 0.1694559 0.5366339), wk = 0.0021645 k( 89) = ( -0.4456522 0.1736922 0.5366339), wk = 0.0021645 k( 90) = ( -0.4565217 0.1779286 0.5366339), wk = 0.0021645 k( 91) = ( -0.4673913 0.1821650 0.5366339), wk = 0.0021645 k( 92) = ( -0.4782609 0.1864014 0.5366339), wk = 0.0021645 k( 93) = ( -0.4891304 0.1906378 0.5366339), wk = 0.0021645 k( 94) = ( -0.5000000 0.1948742 0.5366339), wk = 0.0021645 k( 95) = ( -0.5000000 0.1948742 0.5366339), wk = 0.0021645 k( 96) = ( -0.4923077 0.1918762 0.5283780), wk = 0.0021645 k( 97) = ( -0.4846154 0.1888781 0.5201221), wk = 0.0021645 k( 98) = ( -0.4769231 0.1858800 0.5118662), wk = 0.0021645 k( 99) = ( -0.4692308 0.1828820 0.5036103), wk = 0.0021645 k( 100) = ( -0.4615385 0.1798839 0.4953544), wk = 0.0021645 k( 101) = ( -0.4538462 0.1768858 0.4870985), wk = 0.0021645 k( 102) = ( -0.4461539 0.1738878 0.4788426), wk = 0.0021645 k( 103) = ( -0.4384615 0.1708897 0.4705867), wk = 0.0021645 k( 104) = ( -0.4307692 0.1678916 0.4623308), wk = 0.0021645 k( 105) = ( -0.4230769 0.1648936 0.4540749), wk = 0.0021645 k( 106) = ( -0.4153846 0.1618955 0.4458190), wk = 0.0021645 k( 107) = ( -0.4076923 0.1588974 0.4375630), wk = 0.0021645 k( 108) = ( -0.4000000 0.1558994 0.4293071), wk = 0.0021645 k( 109) = ( -0.3923077 0.1529013 0.4210512), wk = 0.0021645 k( 110) = ( -0.3846154 0.1499033 0.4127953), wk = 0.0021645 k( 111) = ( -0.3769231 0.1469052 0.4045394), wk = 0.0021645 k( 112) = ( -0.3692308 0.1439071 0.3962835), wk = 0.0021645 k( 113) = ( -0.3615385 0.1409091 0.3880276), wk = 0.0021645 k( 114) = ( -0.3538462 0.1379110 0.3797717), wk = 0.0021645 k( 115) = ( -0.3461538 0.1349129 0.3715158), wk = 0.0021645 k( 116) = ( -0.3384615 0.1319149 0.3632599), wk = 0.0021645 k( 117) = ( -0.3307692 0.1289168 0.3550040), wk = 0.0021645 k( 118) = ( -0.3230769 0.1259187 0.3467481), wk = 0.0021645 k( 119) = ( -0.3153846 0.1229207 0.3384922), wk = 0.0021645 k( 120) = ( -0.3076923 0.1199226 0.3302363), wk = 0.0021645 k( 121) = ( -0.3000000 0.1169245 0.3219804), wk = 0.0021645 k( 122) = ( -0.2923077 0.1139265 0.3137244), wk = 0.0021645 k( 123) = ( -0.2846154 0.1109284 0.3054685), wk = 0.0021645 k( 124) = ( -0.2769231 0.1079303 0.2972126), wk = 0.0021645 k( 125) = ( -0.2692308 0.1049323 0.2889567), wk = 0.0021645 k( 126) = ( -0.2615385 0.1019342 0.2807008), wk = 0.0021645 k( 127) = ( -0.2538461 0.0989361 0.2724449), wk = 0.0021645 k( 128) = ( -0.2461539 0.0959381 0.2641890), wk = 0.0021645 k( 129) = ( -0.2384615 0.0929400 0.2559331), wk = 0.0021645 k( 130) = ( -0.2307692 0.0899420 0.2476772), wk = 0.0021645 k( 131) = ( -0.2230769 0.0869439 0.2394213), wk = 0.0021645 k( 132) = ( -0.2153846 0.0839458 0.2311654), wk = 0.0021645 k( 133) = ( -0.2076923 0.0809478 0.2229095), wk = 0.0021645 k( 134) = ( -0.2000000 0.0779497 0.2146536), wk = 0.0021645 k( 135) = ( -0.1923077 0.0749516 0.2063977), wk = 0.0021645 k( 136) = ( -0.1846154 0.0719536 0.1981418), wk = 0.0021645 k( 137) = ( -0.1769231 0.0689555 0.1898859), wk = 0.0021645 k( 138) = ( -0.1692308 0.0659574 0.1816299), wk = 0.0021645 k( 139) = ( -0.1615385 0.0629594 0.1733740), wk = 0.0021645 k( 140) = ( -0.1538461 0.0599613 0.1651181), wk = 0.0021645 k( 141) = ( -0.1461539 0.0569632 0.1568622), wk = 0.0021645 k( 142) = ( -0.1384615 0.0539652 0.1486063), wk = 0.0021645 k( 143) = ( -0.1307692 0.0509671 0.1403504), wk = 0.0021645 k( 144) = ( -0.1230769 0.0479690 0.1320945), wk = 0.0021645 k( 145) = ( -0.1153846 0.0449710 0.1238386), wk = 0.0021645 k( 146) = ( -0.1076923 0.0419729 0.1155827), wk = 0.0021645 k( 147) = ( -0.1000000 0.0389748 0.1073268), wk = 0.0021645 k( 148) = ( -0.0923077 0.0359768 0.0990709), wk = 0.0021645 k( 149) = ( -0.0846154 0.0329787 0.0908150), wk = 0.0021645 k( 150) = ( -0.0769231 0.0299807 0.0825591), wk = 0.0021645 k( 151) = ( -0.0692308 0.0269826 0.0743032), wk = 0.0021645 k( 152) = ( -0.0615385 0.0239845 0.0660473), wk = 0.0021645 k( 153) = ( -0.0538462 0.0209865 0.0577913), wk = 0.0021645 k( 154) = ( -0.0461539 0.0179884 0.0495354), wk = 0.0021645 k( 155) = ( -0.0384615 0.0149903 0.0412795), wk = 0.0021645 k( 156) = ( -0.0307692 0.0119923 0.0330236), wk = 0.0021645 k( 157) = ( -0.0230769 0.0089942 0.0247677), wk = 0.0021645 k( 158) = ( -0.0153846 0.0059961 0.0165118), wk = 0.0021645 k( 159) = ( -0.0076923 0.0029981 0.0082559), wk = 0.0021645 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 162) = ( 0.0042331 0.0108612 -0.0000000), wk = 0.0021645 k( 163) = ( 0.0084663 0.0217224 -0.0000000), wk = 0.0021645 k( 164) = ( 0.0126994 0.0325837 -0.0000000), wk = 0.0021645 k( 165) = ( 0.0169326 0.0434449 -0.0000000), wk = 0.0021645 k( 166) = ( 0.0211657 0.0543061 -0.0000000), wk = 0.0021645 k( 167) = ( 0.0253989 0.0651673 -0.0000000), wk = 0.0021645 k( 168) = ( 0.0296320 0.0760285 -0.0000000), wk = 0.0021645 k( 169) = ( 0.0338651 0.0868897 -0.0000000), wk = 0.0021645 k( 170) = ( 0.0380983 0.0977509 -0.0000000), wk = 0.0021645 k( 171) = ( 0.0423314 0.1086122 -0.0000000), wk = 0.0021645 k( 172) = ( 0.0465646 0.1194734 -0.0000000), wk = 0.0021645 k( 173) = ( 0.0507977 0.1303346 -0.0000000), wk = 0.0021645 k( 174) = ( 0.0550308 0.1411958 -0.0000000), wk = 0.0021645 k( 175) = ( 0.0592640 0.1520570 -0.0000000), wk = 0.0021645 k( 176) = ( 0.0634971 0.1629182 -0.0000000), wk = 0.0021645 k( 177) = ( 0.0677303 0.1737794 -0.0000000), wk = 0.0021645 k( 178) = ( 0.0719634 0.1846407 -0.0000000), wk = 0.0021645 k( 179) = ( 0.0761966 0.1955019 -0.0000000), wk = 0.0021645 k( 180) = ( 0.0804297 0.2063631 -0.0000000), wk = 0.0021645 k( 181) = ( 0.0846628 0.2172243 -0.0000000), wk = 0.0021645 k( 182) = ( 0.0888960 0.2280855 -0.0000000), wk = 0.0021645 k( 183) = ( 0.0931291 0.2389467 -0.0000000), wk = 0.0021645 k( 184) = ( 0.0973623 0.2498079 -0.0000000), wk = 0.0021645 k( 185) = ( 0.1015954 0.2606692 -0.0000000), wk = 0.0021645 k( 186) = ( 0.1058285 0.2715304 -0.0000000), wk = 0.0021645 k( 187) = ( 0.1100617 0.2823916 -0.0000000), wk = 0.0021645 k( 188) = ( 0.1142948 0.2932528 -0.0000000), wk = 0.0021645 k( 189) = ( 0.1185280 0.3041140 -0.0000000), wk = 0.0021645 k( 190) = ( 0.1227611 0.3149753 -0.0000000), wk = 0.0021645 k( 191) = ( 0.1269943 0.3258365 -0.0000000), wk = 0.0021645 k( 192) = ( 0.1312274 0.3366977 -0.0000000), wk = 0.0021645 k( 193) = ( 0.1354605 0.3475589 -0.0000000), wk = 0.0021645 k( 194) = ( 0.1396937 0.3584201 -0.0000000), wk = 0.0021645 k( 195) = ( 0.1439268 0.3692813 -0.0000000), wk = 0.0021645 k( 196) = ( 0.1481600 0.3801425 -0.0000000), wk = 0.0021645 k( 197) = ( 0.1523931 0.3910038 -0.0000000), wk = 0.0021645 k( 198) = ( 0.1566262 0.4018650 -0.0000000), wk = 0.0021645 k( 199) = ( 0.1608594 0.4127262 -0.0000000), wk = 0.0021645 k( 200) = ( 0.1650925 0.4235874 -0.0000000), wk = 0.0021645 k( 201) = ( 0.1693257 0.4344486 -0.0000000), wk = 0.0021645 k( 202) = ( 0.1735588 0.4453098 -0.0000000), wk = 0.0021645 k( 203) = ( 0.1777920 0.4561710 -0.0000000), wk = 0.0021645 k( 204) = ( 0.1820251 0.4670323 -0.0000000), wk = 0.0021645 k( 205) = ( 0.1862582 0.4778935 -0.0000000), wk = 0.0021645 k( 206) = ( 0.1904914 0.4887547 -0.0000000), wk = 0.0021645 k( 207) = ( 0.1947245 0.4996159 -0.0000000), wk = 0.0021645 k( 208) = ( 0.1989577 0.5104771 -0.0000000), wk = 0.0021645 k( 209) = ( 0.2031908 0.5213383 -0.0000000), wk = 0.0021645 k( 210) = ( 0.2074239 0.5321995 -0.0000000), wk = 0.0021645 k( 211) = ( 0.2116571 0.5430608 -0.0000000), wk = 0.0021645 k( 212) = ( 0.2158902 0.5539220 -0.0000000), wk = 0.0021645 k( 213) = ( 0.2201234 0.5647832 -0.0000000), wk = 0.0021645 k( 214) = ( 0.2243565 0.5756444 -0.0000000), wk = 0.0021645 k( 215) = ( 0.2285897 0.5865056 -0.0000000), wk = 0.0021645 k( 216) = ( 0.2328228 0.5973669 -0.0000000), wk = 0.0021645 k( 217) = ( 0.2370559 0.6082281 -0.0000000), wk = 0.0021645 k( 218) = ( 0.2412891 0.6190893 -0.0000000), wk = 0.0021645 k( 219) = ( 0.2455222 0.6299505 -0.0000000), wk = 0.0021645 k( 220) = ( 0.2497554 0.6408117 -0.0000000), wk = 0.0021645 k( 221) = ( 0.2539885 0.6516729 -0.0000000), wk = 0.0021645 k( 222) = ( 0.2582217 0.6625341 -0.0000000), wk = 0.0021645 k( 223) = ( 0.2624548 0.6733954 -0.0000000), wk = 0.0021645 k( 224) = ( 0.2666879 0.6842566 -0.0000000), wk = 0.0021645 k( 225) = ( 0.2709211 0.6951178 -0.0000000), wk = 0.0021645 k( 226) = ( 0.2751542 0.7059790 -0.0000000), wk = 0.0021645 k( 227) = ( 0.2793874 0.7168402 -0.0000000), wk = 0.0021645 k( 228) = ( 0.2836205 0.7277014 -0.0000000), wk = 0.0021645 k( 229) = ( 0.2878537 0.7385626 -0.0000000), wk = 0.0021645 k( 230) = ( 0.2920868 0.7494239 -0.0000000), wk = 0.0021645 k( 231) = ( 0.2963199 0.7602851 -0.0000000), wk = 0.0021645 k( 232) = ( 0.3005531 0.7711463 -0.0000000), wk = 0.0021645 k( 233) = ( 0.3047862 0.7820075 -0.0000000), wk = 0.0021645 k( 234) = ( 0.3090194 0.7928687 -0.0000000), wk = 0.0021645 k( 235) = ( 0.3132525 0.8037299 -0.0000000), wk = 0.0021645 k( 236) = ( 0.3174857 0.8145912 -0.0000000), wk = 0.0021645 k( 237) = ( 0.3217188 0.8254524 -0.0000000), wk = 0.0021645 k( 238) = ( 0.3259519 0.8363136 -0.0000000), wk = 0.0021645 k( 239) = ( 0.3259519 0.8363136 -0.0000000), wk = 0.0021645 k( 240) = ( 0.3244019 0.8323366 0.0109517), wk = 0.0021645 k( 241) = ( 0.3228518 0.8283595 0.0219034), wk = 0.0021645 k( 242) = ( 0.3213018 0.8243825 0.0328551), wk = 0.0021645 k( 243) = ( 0.3197518 0.8204055 0.0438068), wk = 0.0021645 k( 244) = ( 0.3182017 0.8164285 0.0547586), wk = 0.0021645 k( 245) = ( 0.3166517 0.8124514 0.0657103), wk = 0.0021645 k( 246) = ( 0.3151017 0.8084744 0.0766620), wk = 0.0021645 k( 247) = ( 0.3135516 0.8044974 0.0876137), wk = 0.0021645 k( 248) = ( 0.3120016 0.8005204 0.0985654), wk = 0.0021645 k( 249) = ( 0.3104515 0.7965433 0.1095171), wk = 0.0021645 k( 250) = ( 0.3089015 0.7925663 0.1204688), wk = 0.0021645 k( 251) = ( 0.3073515 0.7885893 0.1314206), wk = 0.0021645 k( 252) = ( 0.3058014 0.7846123 0.1423723), wk = 0.0021645 k( 253) = ( 0.3042514 0.7806352 0.1533240), wk = 0.0021645 k( 254) = ( 0.3027013 0.7766582 0.1642757), wk = 0.0021645 k( 255) = ( 0.3011513 0.7726812 0.1752274), wk = 0.0021645 k( 256) = ( 0.2996013 0.7687042 0.1861791), wk = 0.0021645 k( 257) = ( 0.2980512 0.7647271 0.1971308), wk = 0.0021645 k( 258) = ( 0.2965012 0.7607501 0.2080825), wk = 0.0021645 k( 259) = ( 0.2949511 0.7567731 0.2190343), wk = 0.0021645 k( 260) = ( 0.2934011 0.7527961 0.2299860), wk = 0.0021645 k( 261) = ( 0.2918511 0.7488190 0.2409377), wk = 0.0021645 k( 262) = ( 0.2903010 0.7448420 0.2518894), wk = 0.0021645 k( 263) = ( 0.2887510 0.7408650 0.2628411), wk = 0.0021645 k( 264) = ( 0.2872009 0.7368879 0.2737928), wk = 0.0021645 k( 265) = ( 0.2856509 0.7329109 0.2847445), wk = 0.0021645 k( 266) = ( 0.2841009 0.7289339 0.2956962), wk = 0.0021645 k( 267) = ( 0.2825508 0.7249569 0.3066480), wk = 0.0021645 k( 268) = ( 0.2810008 0.7209799 0.3175997), wk = 0.0021645 k( 269) = ( 0.2794508 0.7170028 0.3285514), wk = 0.0021645 k( 270) = ( 0.2779007 0.7130258 0.3395031), wk = 0.0021645 k( 271) = ( 0.2763507 0.7090488 0.3504548), wk = 0.0021645 k( 272) = ( 0.2748006 0.7050718 0.3614065), wk = 0.0021645 k( 273) = ( 0.2732506 0.7010947 0.3723582), wk = 0.0021645 k( 274) = ( 0.2717005 0.6971177 0.3833099), wk = 0.0021645 k( 275) = ( 0.2701505 0.6931407 0.3942617), wk = 0.0021645 k( 276) = ( 0.2686005 0.6891637 0.4052134), wk = 0.0021645 k( 277) = ( 0.2670504 0.6851866 0.4161651), wk = 0.0021645 k( 278) = ( 0.2655004 0.6812096 0.4271168), wk = 0.0021645 k( 279) = ( 0.2639504 0.6772326 0.4380685), wk = 0.0021645 k( 280) = ( 0.2624003 0.6732555 0.4490202), wk = 0.0021645 k( 281) = ( 0.2608503 0.6692785 0.4599719), wk = 0.0021645 k( 282) = ( 0.2593002 0.6653015 0.4709236), wk = 0.0021645 k( 283) = ( 0.2577502 0.6613245 0.4818754), wk = 0.0021645 k( 284) = ( 0.2562002 0.6573475 0.4928271), wk = 0.0021645 k( 285) = ( 0.2546501 0.6533704 0.5037788), wk = 0.0021645 k( 286) = ( 0.2531001 0.6493934 0.5147305), wk = 0.0021645 k( 287) = ( 0.2515500 0.6454164 0.5256822), wk = 0.0021645 k( 288) = ( 0.2500000 0.6414394 0.5366339), wk = 0.0021645 k( 289) = ( 0.2500000 0.6414394 0.5366339), wk = 0.0021645 k( 290) = ( 0.2424242 0.6443920 0.5285031), wk = 0.0021645 k( 291) = ( 0.2348485 0.6473446 0.5203723), wk = 0.0021645 k( 292) = ( 0.2272727 0.6502973 0.5122415), wk = 0.0021645 k( 293) = ( 0.2196970 0.6532499 0.5041107), wk = 0.0021645 k( 294) = ( 0.2121212 0.6562026 0.4959798), wk = 0.0021645 k( 295) = ( 0.2045454 0.6591552 0.4878490), wk = 0.0021645 k( 296) = ( 0.1969697 0.6621078 0.4797182), wk = 0.0021645 k( 297) = ( 0.1893939 0.6650605 0.4715874), wk = 0.0021645 k( 298) = ( 0.1818182 0.6680131 0.4634566), wk = 0.0021645 k( 299) = ( 0.1742424 0.6709658 0.4553257), wk = 0.0021645 k( 300) = ( 0.1666667 0.6739184 0.4471949), wk = 0.0021645 k( 301) = ( 0.1590909 0.6768710 0.4390641), wk = 0.0021645 k( 302) = ( 0.1515151 0.6798237 0.4309333), wk = 0.0021645 k( 303) = ( 0.1439394 0.6827763 0.4228025), wk = 0.0021645 k( 304) = ( 0.1363636 0.6857290 0.4146717), wk = 0.0021645 k( 305) = ( 0.1287879 0.6886816 0.4065409), wk = 0.0021645 k( 306) = ( 0.1212121 0.6916342 0.3984100), wk = 0.0021645 k( 307) = ( 0.1136364 0.6945869 0.3902792), wk = 0.0021645 k( 308) = ( 0.1060606 0.6975395 0.3821484), wk = 0.0021645 k( 309) = ( 0.0984848 0.7004922 0.3740176), wk = 0.0021645 k( 310) = ( 0.0909091 0.7034448 0.3658868), wk = 0.0021645 k( 311) = ( 0.0833333 0.7063974 0.3577559), wk = 0.0021645 k( 312) = ( 0.0757576 0.7093501 0.3496251), wk = 0.0021645 k( 313) = ( 0.0681818 0.7123027 0.3414943), wk = 0.0021645 k( 314) = ( 0.0606061 0.7152554 0.3333635), wk = 0.0021645 k( 315) = ( 0.0530303 0.7182080 0.3252327), wk = 0.0021645 k( 316) = ( 0.0454546 0.7211606 0.3171019), wk = 0.0021645 k( 317) = ( 0.0378788 0.7241133 0.3089710), wk = 0.0021645 k( 318) = ( 0.0303030 0.7270659 0.3008402), wk = 0.0021645 k( 319) = ( 0.0227273 0.7300186 0.2927094), wk = 0.0021645 k( 320) = ( 0.0151515 0.7329712 0.2845786), wk = 0.0021645 k( 321) = ( 0.0075758 0.7359238 0.2764478), wk = 0.0021645 k( 322) = ( 0.0000000 0.7388765 0.2683170), wk = 0.0021645 k( 323) = ( 0.0000000 0.7388765 0.2683170), wk = 0.0021645 k( 324) = ( -0.0088095 0.7362430 0.2755688), wk = 0.0021645 k( 325) = ( -0.0176190 0.7336096 0.2828206), wk = 0.0021645 k( 326) = ( -0.0264285 0.7309762 0.2900724), wk = 0.0021645 k( 327) = ( -0.0352380 0.7283427 0.2973242), wk = 0.0021645 k( 328) = ( -0.0440476 0.7257093 0.3045760), wk = 0.0021645 k( 329) = ( -0.0528571 0.7230759 0.3118278), wk = 0.0021645 k( 330) = ( -0.0616666 0.7204424 0.3190796), wk = 0.0021645 k( 331) = ( -0.0704761 0.7178090 0.3263314), wk = 0.0021645 k( 332) = ( -0.0792856 0.7151756 0.3335832), wk = 0.0021645 k( 333) = ( -0.0880951 0.7125421 0.3408351), wk = 0.0021645 k( 334) = ( -0.0969046 0.7099087 0.3480869), wk = 0.0021645 k( 335) = ( -0.1057141 0.7072752 0.3553387), wk = 0.0021645 k( 336) = ( -0.1145237 0.7046418 0.3625905), wk = 0.0021645 k( 337) = ( -0.1233332 0.7020084 0.3698423), wk = 0.0021645 k( 338) = ( -0.1321427 0.6993749 0.3770941), wk = 0.0021645 k( 339) = ( -0.1409522 0.6967415 0.3843459), wk = 0.0021645 k( 340) = ( -0.1497617 0.6941081 0.3915977), wk = 0.0021645 k( 341) = ( -0.1585712 0.6914746 0.3988495), wk = 0.0021645 k( 342) = ( -0.1673807 0.6888412 0.4061013), wk = 0.0021645 k( 343) = ( -0.1761902 0.6862078 0.4133532), wk = 0.0021645 k( 344) = ( -0.1849997 0.6835743 0.4206050), wk = 0.0021645 k( 345) = ( -0.1938093 0.6809409 0.4278568), wk = 0.0021645 k( 346) = ( -0.2026188 0.6783074 0.4351086), wk = 0.0021645 k( 347) = ( -0.2114283 0.6756740 0.4423604), wk = 0.0021645 k( 348) = ( -0.2202378 0.6730406 0.4496122), wk = 0.0021645 k( 349) = ( -0.2290473 0.6704072 0.4568640), wk = 0.0021645 k( 350) = ( -0.2378568 0.6677737 0.4641158), wk = 0.0021645 k( 351) = ( -0.2466663 0.6651403 0.4713676), wk = 0.0021645 k( 352) = ( -0.2554758 0.6625068 0.4786194), wk = 0.0021645 k( 353) = ( -0.2642853 0.6598734 0.4858713), wk = 0.0021645 k( 354) = ( -0.2730949 0.6572400 0.4931231), wk = 0.0021645 k( 355) = ( -0.2819044 0.6546065 0.5003749), wk = 0.0021645 k( 356) = ( -0.2907139 0.6519731 0.5076267), wk = 0.0021645 k( 357) = ( -0.2995234 0.6493397 0.5148785), wk = 0.0021645 k( 358) = ( -0.3083329 0.6467062 0.5221303), wk = 0.0021645 k( 359) = ( -0.3171424 0.6440728 0.5293821), wk = 0.0021645 k( 360) = ( -0.3259519 0.6414394 0.5366339), wk = 0.0021645 k( 361) = ( -0.3259519 0.6414394 0.5366339), wk = 0.0021645 k( 362) = ( -0.3301970 0.6305475 0.5366339), wk = 0.0021645 k( 363) = ( -0.3344421 0.6196557 0.5366339), wk = 0.0021645 k( 364) = ( -0.3386871 0.6087639 0.5366339), wk = 0.0021645 k( 365) = ( -0.3429322 0.5978720 0.5366339), wk = 0.0021645 k( 366) = ( -0.3471773 0.5869802 0.5366339), wk = 0.0021645 k( 367) = ( -0.3514224 0.5760884 0.5366339), wk = 0.0021645 k( 368) = ( -0.3556674 0.5651965 0.5366339), wk = 0.0021645 k( 369) = ( -0.3599125 0.5543047 0.5366339), wk = 0.0021645 k( 370) = ( -0.3641576 0.5434129 0.5366339), wk = 0.0021645 k( 371) = ( -0.3684027 0.5325210 0.5366339), wk = 0.0021645 k( 372) = ( -0.3726477 0.5216292 0.5366339), wk = 0.0021645 k( 373) = ( -0.3768928 0.5107374 0.5366339), wk = 0.0021645 k( 374) = ( -0.3811379 0.4998455 0.5366339), wk = 0.0021645 k( 375) = ( -0.3853830 0.4889537 0.5366339), wk = 0.0021645 k( 376) = ( -0.3896281 0.4780619 0.5366339), wk = 0.0021645 k( 377) = ( -0.3938731 0.4671700 0.5366339), wk = 0.0021645 k( 378) = ( -0.3981182 0.4562782 0.5366339), wk = 0.0021645 k( 379) = ( -0.4023633 0.4453864 0.5366339), wk = 0.0021645 k( 380) = ( -0.4066084 0.4344945 0.5366339), wk = 0.0021645 k( 381) = ( -0.4108534 0.4236027 0.5366339), wk = 0.0021645 k( 382) = ( -0.4150985 0.4127109 0.5366339), wk = 0.0021645 k( 383) = ( -0.4193436 0.4018190 0.5366339), wk = 0.0021645 k( 384) = ( -0.4235887 0.3909272 0.5366339), wk = 0.0021645 k( 385) = ( -0.4278337 0.3800354 0.5366339), wk = 0.0021645 k( 386) = ( -0.4320788 0.3691436 0.5366339), wk = 0.0021645 k( 387) = ( -0.4363239 0.3582517 0.5366339), wk = 0.0021645 k( 388) = ( -0.4405690 0.3473599 0.5366339), wk = 0.0021645 k( 389) = ( -0.4448140 0.3364680 0.5366339), wk = 0.0021645 k( 390) = ( -0.4490591 0.3255762 0.5366339), wk = 0.0021645 k( 391) = ( -0.4533042 0.3146844 0.5366339), wk = 0.0021645 k( 392) = ( -0.4575493 0.3037926 0.5366339), wk = 0.0021645 k( 393) = ( -0.4617943 0.2929007 0.5366339), wk = 0.0021645 k( 394) = ( -0.4660394 0.2820089 0.5366339), wk = 0.0021645 k( 395) = ( -0.4702845 0.2711170 0.5366339), wk = 0.0021645 k( 396) = ( -0.4745296 0.2602252 0.5366339), wk = 0.0021645 k( 397) = ( -0.4787746 0.2493334 0.5366339), wk = 0.0021645 k( 398) = ( -0.4830197 0.2384416 0.5366339), wk = 0.0021645 k( 399) = ( -0.4872648 0.2275497 0.5366339), wk = 0.0021645 k( 400) = ( -0.4915099 0.2166579 0.5366339), wk = 0.0021645 k( 401) = ( -0.4957549 0.2057660 0.5366339), wk = 0.0021645 k( 402) = ( -0.5000000 0.1948742 0.5366339), wk = 0.0021645 k( 403) = ( 0.0000000 0.0000000 0.5366339), wk = 0.0021645 k( 404) = ( 0.0042373 0.0108719 0.5366339), wk = 0.0021645 k( 405) = ( 0.0084746 0.0217437 0.5366339), wk = 0.0021645 k( 406) = ( 0.0127119 0.0326155 0.5366339), wk = 0.0021645 k( 407) = ( 0.0169491 0.0434874 0.5366339), wk = 0.0021645 k( 408) = ( 0.0211864 0.0543593 0.5366339), wk = 0.0021645 k( 409) = ( 0.0254237 0.0652311 0.5366339), wk = 0.0021645 k( 410) = ( 0.0296610 0.0761030 0.5366339), wk = 0.0021645 k( 411) = ( 0.0338983 0.0869748 0.5366339), wk = 0.0021645 k( 412) = ( 0.0381356 0.0978467 0.5366339), wk = 0.0021645 k( 413) = ( 0.0423729 0.1087185 0.5366339), wk = 0.0021645 k( 414) = ( 0.0466102 0.1195904 0.5366339), wk = 0.0021645 k( 415) = ( 0.0508475 0.1304622 0.5366339), wk = 0.0021645 k( 416) = ( 0.0550848 0.1413341 0.5366339), wk = 0.0021645 k( 417) = ( 0.0593220 0.1522059 0.5366339), wk = 0.0021645 k( 418) = ( 0.0635593 0.1630778 0.5366339), wk = 0.0021645 k( 419) = ( 0.0677966 0.1739497 0.5366339), wk = 0.0021645 k( 420) = ( 0.0720339 0.1848215 0.5366339), wk = 0.0021645 k( 421) = ( 0.0762712 0.1956934 0.5366339), wk = 0.0021645 k( 422) = ( 0.0805085 0.2065652 0.5366339), wk = 0.0021645 k( 423) = ( 0.0847458 0.2174371 0.5366339), wk = 0.0021645 k( 424) = ( 0.0889830 0.2283089 0.5366339), wk = 0.0021645 k( 425) = ( 0.0932203 0.2391808 0.5366339), wk = 0.0021645 k( 426) = ( 0.0974576 0.2500526 0.5366339), wk = 0.0021645 k( 427) = ( 0.1016949 0.2609245 0.5366339), wk = 0.0021645 k( 428) = ( 0.1059322 0.2717963 0.5366339), wk = 0.0021645 k( 429) = ( 0.1101695 0.2826682 0.5366339), wk = 0.0021645 k( 430) = ( 0.1144068 0.2935400 0.5366339), wk = 0.0021645 k( 431) = ( 0.1186441 0.3044119 0.5366339), wk = 0.0021645 k( 432) = ( 0.1228814 0.3152838 0.5366339), wk = 0.0021645 k( 433) = ( 0.1271186 0.3261556 0.5366339), wk = 0.0021645 k( 434) = ( 0.1313559 0.3370275 0.5366339), wk = 0.0021645 k( 435) = ( 0.1355932 0.3478993 0.5366339), wk = 0.0021645 k( 436) = ( 0.1398305 0.3587712 0.5366339), wk = 0.0021645 k( 437) = ( 0.1440678 0.3696430 0.5366339), wk = 0.0021645 k( 438) = ( 0.1483051 0.3805149 0.5366339), wk = 0.0021645 k( 439) = ( 0.1525424 0.3913867 0.5366339), wk = 0.0021645 k( 440) = ( 0.1567797 0.4022586 0.5366339), wk = 0.0021645 k( 441) = ( 0.1610169 0.4131304 0.5366339), wk = 0.0021645 k( 442) = ( 0.1652542 0.4240023 0.5366339), wk = 0.0021645 k( 443) = ( 0.1694915 0.4348742 0.5366339), wk = 0.0021645 k( 444) = ( 0.1737288 0.4457460 0.5366339), wk = 0.0021645 k( 445) = ( 0.1779661 0.4566178 0.5366339), wk = 0.0021645 k( 446) = ( 0.1822034 0.4674897 0.5366339), wk = 0.0021645 k( 447) = ( 0.1864407 0.4783616 0.5366339), wk = 0.0021645 k( 448) = ( 0.1906780 0.4892334 0.5366339), wk = 0.0021645 k( 449) = ( 0.1949153 0.5001053 0.5366339), wk = 0.0021645 k( 450) = ( 0.1991525 0.5109771 0.5366339), wk = 0.0021645 k( 451) = ( 0.2033898 0.5218490 0.5366339), wk = 0.0021645 k( 452) = ( 0.2076271 0.5327208 0.5366339), wk = 0.0021645 k( 453) = ( 0.2118644 0.5435927 0.5366339), wk = 0.0021645 k( 454) = ( 0.2161017 0.5544645 0.5366339), wk = 0.0021645 k( 455) = ( 0.2203390 0.5653364 0.5366339), wk = 0.0021645 k( 456) = ( 0.2245763 0.5762082 0.5366339), wk = 0.0021645 k( 457) = ( 0.2288136 0.5870801 0.5366339), wk = 0.0021645 k( 458) = ( 0.2330509 0.5979520 0.5366339), wk = 0.0021645 k( 459) = ( 0.2372881 0.6088238 0.5366339), wk = 0.0021645 k( 460) = ( 0.2415254 0.6196956 0.5366339), wk = 0.0021645 k( 461) = ( 0.2457627 0.6305675 0.5366339), wk = 0.0021645 k( 462) = ( 0.2500000 0.6414394 0.5366339), wk = 0.0021645 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 2) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0021645 k( 3) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0021645 k( 4) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0021645 k( 5) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0021645 k( 6) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0021645 k( 7) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0021645 k( 8) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0021645 k( 9) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0021645 k( 10) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0021645 k( 11) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0021645 k( 12) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0021645 k( 13) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0021645 k( 14) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0021645 k( 15) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0021645 k( 16) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0021645 k( 17) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0021645 k( 18) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0021645 k( 19) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0021645 k( 20) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0021645 k( 21) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0021645 k( 22) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0021645 k( 23) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0021645 k( 24) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021645 k( 25) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0021645 k( 26) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0021645 k( 27) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0021645 k( 28) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0021645 k( 29) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0021645 k( 30) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0021645 k( 31) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0021645 k( 32) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0021645 k( 33) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0021645 k( 34) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0021645 k( 35) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0021645 k( 36) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0021645 k( 37) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0021645 k( 38) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0021645 k( 39) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0021645 k( 40) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0021645 k( 41) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0021645 k( 42) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0021645 k( 43) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0021645 k( 44) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0021645 k( 45) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0021645 k( 46) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0021645 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 49) = ( -0.0108696 0.0108696 0.5000000), wk = 0.0021645 k( 50) = ( -0.0217391 0.0217391 0.5000000), wk = 0.0021645 k( 51) = ( -0.0326087 0.0326087 0.5000000), wk = 0.0021645 k( 52) = ( -0.0434783 0.0434783 0.5000000), wk = 0.0021645 k( 53) = ( -0.0543478 0.0543478 0.5000000), wk = 0.0021645 k( 54) = ( -0.0652174 0.0652174 0.5000000), wk = 0.0021645 k( 55) = ( -0.0760870 0.0760870 0.5000000), wk = 0.0021645 k( 56) = ( -0.0869565 0.0869565 0.5000000), wk = 0.0021645 k( 57) = ( -0.0978261 0.0978261 0.5000000), wk = 0.0021645 k( 58) = ( -0.1086957 0.1086956 0.5000000), wk = 0.0021645 k( 59) = ( -0.1195652 0.1195652 0.5000000), wk = 0.0021645 k( 60) = ( -0.1304348 0.1304348 0.5000000), wk = 0.0021645 k( 61) = ( -0.1413043 0.1413043 0.5000000), wk = 0.0021645 k( 62) = ( -0.1521739 0.1521739 0.5000000), wk = 0.0021645 k( 63) = ( -0.1630435 0.1630435 0.5000000), wk = 0.0021645 k( 64) = ( -0.1739130 0.1739130 0.5000000), wk = 0.0021645 k( 65) = ( -0.1847826 0.1847826 0.5000000), wk = 0.0021645 k( 66) = ( -0.1956522 0.1956522 0.5000000), wk = 0.0021645 k( 67) = ( -0.2065217 0.2065217 0.5000000), wk = 0.0021645 k( 68) = ( -0.2173913 0.2173913 0.5000000), wk = 0.0021645 k( 69) = ( -0.2282609 0.2282609 0.5000000), wk = 0.0021645 k( 70) = ( -0.2391304 0.2391304 0.5000000), wk = 0.0021645 k( 71) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021645 k( 72) = ( -0.2608696 0.2608696 0.5000000), wk = 0.0021645 k( 73) = ( -0.2717391 0.2717391 0.5000000), wk = 0.0021645 k( 74) = ( -0.2826087 0.2826087 0.5000000), wk = 0.0021645 k( 75) = ( -0.2934783 0.2934783 0.5000000), wk = 0.0021645 k( 76) = ( -0.3043478 0.3043478 0.5000000), wk = 0.0021645 k( 77) = ( -0.3152174 0.3152174 0.5000000), wk = 0.0021645 k( 78) = ( -0.3260870 0.3260870 0.5000000), wk = 0.0021645 k( 79) = ( -0.3369565 0.3369565 0.5000000), wk = 0.0021645 k( 80) = ( -0.3478261 0.3478261 0.5000000), wk = 0.0021645 k( 81) = ( -0.3586956 0.3586956 0.5000000), wk = 0.0021645 k( 82) = ( -0.3695652 0.3695652 0.5000000), wk = 0.0021645 k( 83) = ( -0.3804348 0.3804348 0.5000000), wk = 0.0021645 k( 84) = ( -0.3913044 0.3913044 0.5000000), wk = 0.0021645 k( 85) = ( -0.4021739 0.4021739 0.5000000), wk = 0.0021645 k( 86) = ( -0.4130435 0.4130435 0.5000000), wk = 0.0021645 k( 87) = ( -0.4239130 0.4239130 0.5000000), wk = 0.0021645 k( 88) = ( -0.4347826 0.4347826 0.5000000), wk = 0.0021645 k( 89) = ( -0.4456522 0.4456522 0.5000000), wk = 0.0021645 k( 90) = ( -0.4565217 0.4565217 0.5000000), wk = 0.0021645 k( 91) = ( -0.4673913 0.4673913 0.5000000), wk = 0.0021645 k( 92) = ( -0.4782609 0.4782609 0.5000000), wk = 0.0021645 k( 93) = ( -0.4891304 0.4891304 0.5000000), wk = 0.0021645 k( 94) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 k( 95) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 k( 96) = ( -0.4923077 0.4923077 0.4923077), wk = 0.0021645 k( 97) = ( -0.4846154 0.4846154 0.4846154), wk = 0.0021645 k( 98) = ( -0.4769231 0.4769231 0.4769231), wk = 0.0021645 k( 99) = ( -0.4692308 0.4692308 0.4692308), wk = 0.0021645 k( 100) = ( -0.4615385 0.4615385 0.4615385), wk = 0.0021645 k( 101) = ( -0.4538462 0.4538461 0.4538462), wk = 0.0021645 k( 102) = ( -0.4461539 0.4461539 0.4461539), wk = 0.0021645 k( 103) = ( -0.4384615 0.4384615 0.4384615), wk = 0.0021645 k( 104) = ( -0.4307692 0.4307692 0.4307692), wk = 0.0021645 k( 105) = ( -0.4230769 0.4230769 0.4230769), wk = 0.0021645 k( 106) = ( -0.4153846 0.4153846 0.4153846), wk = 0.0021645 k( 107) = ( -0.4076923 0.4076923 0.4076923), wk = 0.0021645 k( 108) = ( -0.4000000 0.4000000 0.4000000), wk = 0.0021645 k( 109) = ( -0.3923077 0.3923077 0.3923077), wk = 0.0021645 k( 110) = ( -0.3846154 0.3846154 0.3846154), wk = 0.0021645 k( 111) = ( -0.3769231 0.3769231 0.3769231), wk = 0.0021645 k( 112) = ( -0.3692308 0.3692308 0.3692308), wk = 0.0021645 k( 113) = ( -0.3615385 0.3615385 0.3615385), wk = 0.0021645 k( 114) = ( -0.3538462 0.3538462 0.3538462), wk = 0.0021645 k( 115) = ( -0.3461538 0.3461539 0.3461538), wk = 0.0021645 k( 116) = ( -0.3384615 0.3384615 0.3384615), wk = 0.0021645 k( 117) = ( -0.3307692 0.3307692 0.3307692), wk = 0.0021645 k( 118) = ( -0.3230769 0.3230769 0.3230769), wk = 0.0021645 k( 119) = ( -0.3153846 0.3153846 0.3153846), wk = 0.0021645 k( 120) = ( -0.3076923 0.3076923 0.3076923), wk = 0.0021645 k( 121) = ( -0.3000000 0.3000000 0.3000000), wk = 0.0021645 k( 122) = ( -0.2923077 0.2923077 0.2923077), wk = 0.0021645 k( 123) = ( -0.2846154 0.2846154 0.2846154), wk = 0.0021645 k( 124) = ( -0.2769231 0.2769231 0.2769231), wk = 0.0021645 k( 125) = ( -0.2692308 0.2692308 0.2692308), wk = 0.0021645 k( 126) = ( -0.2615385 0.2615385 0.2615385), wk = 0.0021645 k( 127) = ( -0.2538461 0.2538461 0.2538461), wk = 0.0021645 k( 128) = ( -0.2461539 0.2461538 0.2461539), wk = 0.0021645 k( 129) = ( -0.2384615 0.2384615 0.2384615), wk = 0.0021645 k( 130) = ( -0.2307692 0.2307692 0.2307692), wk = 0.0021645 k( 131) = ( -0.2230769 0.2230769 0.2230769), wk = 0.0021645 k( 132) = ( -0.2153846 0.2153846 0.2153846), wk = 0.0021645 k( 133) = ( -0.2076923 0.2076923 0.2076923), wk = 0.0021645 k( 134) = ( -0.2000000 0.2000000 0.2000000), wk = 0.0021645 k( 135) = ( -0.1923077 0.1923077 0.1923077), wk = 0.0021645 k( 136) = ( -0.1846154 0.1846154 0.1846154), wk = 0.0021645 k( 137) = ( -0.1769231 0.1769231 0.1769231), wk = 0.0021645 k( 138) = ( -0.1692308 0.1692308 0.1692308), wk = 0.0021645 k( 139) = ( -0.1615385 0.1615385 0.1615385), wk = 0.0021645 k( 140) = ( -0.1538461 0.1538461 0.1538462), wk = 0.0021645 k( 141) = ( -0.1461539 0.1461539 0.1461539), wk = 0.0021645 k( 142) = ( -0.1384615 0.1384615 0.1384615), wk = 0.0021645 k( 143) = ( -0.1307692 0.1307692 0.1307692), wk = 0.0021645 k( 144) = ( -0.1230769 0.1230769 0.1230769), wk = 0.0021645 k( 145) = ( -0.1153846 0.1153846 0.1153846), wk = 0.0021645 k( 146) = ( -0.1076923 0.1076923 0.1076923), wk = 0.0021645 k( 147) = ( -0.1000000 0.1000000 0.1000000), wk = 0.0021645 k( 148) = ( -0.0923077 0.0923077 0.0923077), wk = 0.0021645 k( 149) = ( -0.0846154 0.0846154 0.0846154), wk = 0.0021645 k( 150) = ( -0.0769231 0.0769231 0.0769231), wk = 0.0021645 k( 151) = ( -0.0692308 0.0692308 0.0692308), wk = 0.0021645 k( 152) = ( -0.0615385 0.0615385 0.0615385), wk = 0.0021645 k( 153) = ( -0.0538462 0.0538462 0.0538462), wk = 0.0021645 k( 154) = ( -0.0461539 0.0461539 0.0461539), wk = 0.0021645 k( 155) = ( -0.0384615 0.0384615 0.0384615), wk = 0.0021645 k( 156) = ( -0.0307692 0.0307692 0.0307692), wk = 0.0021645 k( 157) = ( -0.0230769 0.0230769 0.0230769), wk = 0.0021645 k( 158) = ( -0.0153846 0.0153846 0.0153846), wk = 0.0021645 k( 159) = ( -0.0076923 0.0076923 0.0076923), wk = 0.0021645 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 162) = ( 0.0042331 0.0042331 -0.0042331), wk = 0.0021645 k( 163) = ( 0.0084663 0.0084663 -0.0084663), wk = 0.0021645 k( 164) = ( 0.0126994 0.0126994 -0.0126994), wk = 0.0021645 k( 165) = ( 0.0169326 0.0169326 -0.0169326), wk = 0.0021645 k( 166) = ( 0.0211657 0.0211657 -0.0211657), wk = 0.0021645 k( 167) = ( 0.0253989 0.0253989 -0.0253989), wk = 0.0021645 k( 168) = ( 0.0296320 0.0296320 -0.0296320), wk = 0.0021645 k( 169) = ( 0.0338651 0.0338651 -0.0338651), wk = 0.0021645 k( 170) = ( 0.0380983 0.0380983 -0.0380983), wk = 0.0021645 k( 171) = ( 0.0423314 0.0423314 -0.0423314), wk = 0.0021645 k( 172) = ( 0.0465646 0.0465646 -0.0465646), wk = 0.0021645 k( 173) = ( 0.0507977 0.0507977 -0.0507977), wk = 0.0021645 k( 174) = ( 0.0550308 0.0550309 -0.0550309), wk = 0.0021645 k( 175) = ( 0.0592640 0.0592640 -0.0592640), wk = 0.0021645 k( 176) = ( 0.0634971 0.0634971 -0.0634971), wk = 0.0021645 k( 177) = ( 0.0677303 0.0677303 -0.0677303), wk = 0.0021645 k( 178) = ( 0.0719634 0.0719634 -0.0719634), wk = 0.0021645 k( 179) = ( 0.0761966 0.0761966 -0.0761966), wk = 0.0021645 k( 180) = ( 0.0804297 0.0804297 -0.0804297), wk = 0.0021645 k( 181) = ( 0.0846628 0.0846628 -0.0846628), wk = 0.0021645 k( 182) = ( 0.0888960 0.0888960 -0.0888960), wk = 0.0021645 k( 183) = ( 0.0931291 0.0931291 -0.0931291), wk = 0.0021645 k( 184) = ( 0.0973623 0.0973623 -0.0973623), wk = 0.0021645 k( 185) = ( 0.1015954 0.1015954 -0.1015954), wk = 0.0021645 k( 186) = ( 0.1058285 0.1058285 -0.1058286), wk = 0.0021645 k( 187) = ( 0.1100617 0.1100617 -0.1100617), wk = 0.0021645 k( 188) = ( 0.1142948 0.1142948 -0.1142948), wk = 0.0021645 k( 189) = ( 0.1185280 0.1185280 -0.1185280), wk = 0.0021645 k( 190) = ( 0.1227611 0.1227611 -0.1227611), wk = 0.0021645 k( 191) = ( 0.1269943 0.1269943 -0.1269943), wk = 0.0021645 k( 192) = ( 0.1312274 0.1312274 -0.1312274), wk = 0.0021645 k( 193) = ( 0.1354605 0.1354605 -0.1354605), wk = 0.0021645 k( 194) = ( 0.1396937 0.1396937 -0.1396937), wk = 0.0021645 k( 195) = ( 0.1439268 0.1439268 -0.1439268), wk = 0.0021645 k( 196) = ( 0.1481600 0.1481600 -0.1481600), wk = 0.0021645 k( 197) = ( 0.1523931 0.1523931 -0.1523931), wk = 0.0021645 k( 198) = ( 0.1566262 0.1566263 -0.1566263), wk = 0.0021645 k( 199) = ( 0.1608594 0.1608594 -0.1608594), wk = 0.0021645 k( 200) = ( 0.1650925 0.1650925 -0.1650925), wk = 0.0021645 k( 201) = ( 0.1693257 0.1693257 -0.1693257), wk = 0.0021645 k( 202) = ( 0.1735588 0.1735588 -0.1735588), wk = 0.0021645 k( 203) = ( 0.1777920 0.1777920 -0.1777920), wk = 0.0021645 k( 204) = ( 0.1820251 0.1820251 -0.1820251), wk = 0.0021645 k( 205) = ( 0.1862582 0.1862583 -0.1862583), wk = 0.0021645 k( 206) = ( 0.1904914 0.1904914 -0.1904914), wk = 0.0021645 k( 207) = ( 0.1947245 0.1947245 -0.1947245), wk = 0.0021645 k( 208) = ( 0.1989577 0.1989577 -0.1989577), wk = 0.0021645 k( 209) = ( 0.2031908 0.2031908 -0.2031908), wk = 0.0021645 k( 210) = ( 0.2074239 0.2074240 -0.2074240), wk = 0.0021645 k( 211) = ( 0.2116571 0.2116571 -0.2116571), wk = 0.0021645 k( 212) = ( 0.2158902 0.2158902 -0.2158902), wk = 0.0021645 k( 213) = ( 0.2201234 0.2201234 -0.2201234), wk = 0.0021645 k( 214) = ( 0.2243565 0.2243565 -0.2243565), wk = 0.0021645 k( 215) = ( 0.2285897 0.2285897 -0.2285897), wk = 0.0021645 k( 216) = ( 0.2328228 0.2328228 -0.2328228), wk = 0.0021645 k( 217) = ( 0.2370559 0.2370560 -0.2370559), wk = 0.0021645 k( 218) = ( 0.2412891 0.2412891 -0.2412891), wk = 0.0021645 k( 219) = ( 0.2455222 0.2455222 -0.2455222), wk = 0.0021645 k( 220) = ( 0.2497554 0.2497554 -0.2497554), wk = 0.0021645 k( 221) = ( 0.2539885 0.2539885 -0.2539885), wk = 0.0021645 k( 222) = ( 0.2582217 0.2582217 -0.2582217), wk = 0.0021645 k( 223) = ( 0.2624548 0.2624548 -0.2624548), wk = 0.0021645 k( 224) = ( 0.2666879 0.2666879 -0.2666879), wk = 0.0021645 k( 225) = ( 0.2709211 0.2709211 -0.2709211), wk = 0.0021645 k( 226) = ( 0.2751542 0.2751542 -0.2751542), wk = 0.0021645 k( 227) = ( 0.2793874 0.2793874 -0.2793874), wk = 0.0021645 k( 228) = ( 0.2836205 0.2836205 -0.2836205), wk = 0.0021645 k( 229) = ( 0.2878537 0.2878537 -0.2878537), wk = 0.0021645 k( 230) = ( 0.2920868 0.2920868 -0.2920868), wk = 0.0021645 k( 231) = ( 0.2963199 0.2963199 -0.2963199), wk = 0.0021645 k( 232) = ( 0.3005531 0.3005531 -0.3005531), wk = 0.0021645 k( 233) = ( 0.3047862 0.3047862 -0.3047862), wk = 0.0021645 k( 234) = ( 0.3090194 0.3090194 -0.3090194), wk = 0.0021645 k( 235) = ( 0.3132525 0.3132525 -0.3132525), wk = 0.0021645 k( 236) = ( 0.3174857 0.3174857 -0.3174857), wk = 0.0021645 k( 237) = ( 0.3217188 0.3217188 -0.3217188), wk = 0.0021645 k( 238) = ( 0.3259519 0.3259519 -0.3259519), wk = 0.0021645 k( 239) = ( 0.3259519 0.3259519 -0.3259519), wk = 0.0021645 k( 240) = ( 0.3244019 0.3244019 -0.3141978), wk = 0.0021645 k( 241) = ( 0.3228518 0.3228519 -0.3024437), wk = 0.0021645 k( 242) = ( 0.3213018 0.3213018 -0.2906896), wk = 0.0021645 k( 243) = ( 0.3197518 0.3197518 -0.2789355), wk = 0.0021645 k( 244) = ( 0.3182017 0.3182017 -0.2671813), wk = 0.0021645 k( 245) = ( 0.3166517 0.3166517 -0.2554272), wk = 0.0021645 k( 246) = ( 0.3151017 0.3151017 -0.2436731), wk = 0.0021645 k( 247) = ( 0.3135516 0.3135516 -0.2319190), wk = 0.0021645 k( 248) = ( 0.3120016 0.3120016 -0.2201648), wk = 0.0021645 k( 249) = ( 0.3104515 0.3104515 -0.2084107), wk = 0.0021645 k( 250) = ( 0.3089015 0.3089015 -0.1966566), wk = 0.0021645 k( 251) = ( 0.3073515 0.3073515 -0.1849025), wk = 0.0021645 k( 252) = ( 0.3058014 0.3058014 -0.1731484), wk = 0.0021645 k( 253) = ( 0.3042514 0.3042514 -0.1613942), wk = 0.0021645 k( 254) = ( 0.3027013 0.3027013 -0.1496401), wk = 0.0021645 k( 255) = ( 0.3011513 0.3011513 -0.1378860), wk = 0.0021645 k( 256) = ( 0.2996013 0.2996013 -0.1261319), wk = 0.0021645 k( 257) = ( 0.2980512 0.2980512 -0.1143778), wk = 0.0021645 k( 258) = ( 0.2965012 0.2965012 -0.1026236), wk = 0.0021645 k( 259) = ( 0.2949511 0.2949511 -0.0908695), wk = 0.0021645 k( 260) = ( 0.2934011 0.2934011 -0.0791154), wk = 0.0021645 k( 261) = ( 0.2918511 0.2918511 -0.0673613), wk = 0.0021645 k( 262) = ( 0.2903010 0.2903010 -0.0556071), wk = 0.0021645 k( 263) = ( 0.2887510 0.2887510 -0.0438530), wk = 0.0021645 k( 264) = ( 0.2872009 0.2872009 -0.0320989), wk = 0.0021645 k( 265) = ( 0.2856509 0.2856509 -0.0203448), wk = 0.0021645 k( 266) = ( 0.2841009 0.2841009 -0.0085907), wk = 0.0021645 k( 267) = ( 0.2825508 0.2825508 0.0031635), wk = 0.0021645 k( 268) = ( 0.2810008 0.2810008 0.0149176), wk = 0.0021645 k( 269) = ( 0.2794508 0.2794508 0.0266717), wk = 0.0021645 k( 270) = ( 0.2779007 0.2779007 0.0384258), wk = 0.0021645 k( 271) = ( 0.2763507 0.2763507 0.0501799), wk = 0.0021645 k( 272) = ( 0.2748006 0.2748006 0.0619341), wk = 0.0021645 k( 273) = ( 0.2732506 0.2732506 0.0736882), wk = 0.0021645 k( 274) = ( 0.2717005 0.2717006 0.0854423), wk = 0.0021645 k( 275) = ( 0.2701505 0.2701505 0.0971964), wk = 0.0021645 k( 276) = ( 0.2686005 0.2686005 0.1089505), wk = 0.0021645 k( 277) = ( 0.2670504 0.2670504 0.1207047), wk = 0.0021645 k( 278) = ( 0.2655004 0.2655004 0.1324588), wk = 0.0021645 k( 279) = ( 0.2639504 0.2639504 0.1442129), wk = 0.0021645 k( 280) = ( 0.2624003 0.2624003 0.1559670), wk = 0.0021645 k( 281) = ( 0.2608503 0.2608503 0.1677211), wk = 0.0021645 k( 282) = ( 0.2593002 0.2593002 0.1794753), wk = 0.0021645 k( 283) = ( 0.2577502 0.2577502 0.1912294), wk = 0.0021645 k( 284) = ( 0.2562002 0.2562002 0.2029835), wk = 0.0021645 k( 285) = ( 0.2546501 0.2546501 0.2147376), wk = 0.0021645 k( 286) = ( 0.2531001 0.2531001 0.2264918), wk = 0.0021645 k( 287) = ( 0.2515500 0.2515500 0.2382459), wk = 0.0021645 k( 288) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021645 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021645 k( 290) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0021645 k( 291) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0021645 k( 292) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0021645 k( 293) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0021645 k( 294) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0021645 k( 295) = ( 0.2045454 0.2954546 0.2045454), wk = 0.0021645 k( 296) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0021645 k( 297) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0021645 k( 298) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0021645 k( 299) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0021645 k( 300) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021645 k( 301) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0021645 k( 302) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0021645 k( 303) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0021645 k( 304) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0021645 k( 305) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0021645 k( 306) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0021645 k( 307) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0021645 k( 308) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0021645 k( 309) = ( 0.0984848 0.4015152 0.0984848), wk = 0.0021645 k( 310) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0021645 k( 311) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021645 k( 312) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0021645 k( 313) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0021645 k( 314) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0021645 k( 315) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0021645 k( 316) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0021645 k( 317) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0021645 k( 318) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0021645 k( 319) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0021645 k( 320) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0021645 k( 321) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0021645 k( 322) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021645 k( 323) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021645 k( 324) = ( -0.0088095 0.5047040 0.0088095), wk = 0.0021645 k( 325) = ( -0.0176190 0.5094080 0.0176190), wk = 0.0021645 k( 326) = ( -0.0264285 0.5141120 0.0264285), wk = 0.0021645 k( 327) = ( -0.0352380 0.5188160 0.0352381), wk = 0.0021645 k( 328) = ( -0.0440476 0.5235200 0.0440476), wk = 0.0021645 k( 329) = ( -0.0528571 0.5282240 0.0528571), wk = 0.0021645 k( 330) = ( -0.0616666 0.5329280 0.0616666), wk = 0.0021645 k( 331) = ( -0.0704761 0.5376320 0.0704761), wk = 0.0021645 k( 332) = ( -0.0792856 0.5423360 0.0792856), wk = 0.0021645 k( 333) = ( -0.0880951 0.5470400 0.0880951), wk = 0.0021645 k( 334) = ( -0.0969046 0.5517440 0.0969046), wk = 0.0021645 k( 335) = ( -0.1057141 0.5564480 0.1057141), wk = 0.0021645 k( 336) = ( -0.1145237 0.5611520 0.1145237), wk = 0.0021645 k( 337) = ( -0.1233332 0.5658560 0.1233332), wk = 0.0021645 k( 338) = ( -0.1321427 0.5705600 0.1321427), wk = 0.0021645 k( 339) = ( -0.1409522 0.5752640 0.1409522), wk = 0.0021645 k( 340) = ( -0.1497617 0.5799680 0.1497617), wk = 0.0021645 k( 341) = ( -0.1585712 0.5846720 0.1585712), wk = 0.0021645 k( 342) = ( -0.1673807 0.5893760 0.1673807), wk = 0.0021645 k( 343) = ( -0.1761902 0.5940800 0.1761902), wk = 0.0021645 k( 344) = ( -0.1849997 0.5987840 0.1849997), wk = 0.0021645 k( 345) = ( -0.1938093 0.6034880 0.1938093), wk = 0.0021645 k( 346) = ( -0.2026188 0.6081920 0.2026188), wk = 0.0021645 k( 347) = ( -0.2114283 0.6128961 0.2114283), wk = 0.0021645 k( 348) = ( -0.2202378 0.6176000 0.2202378), wk = 0.0021645 k( 349) = ( -0.2290473 0.6223040 0.2290473), wk = 0.0021645 k( 350) = ( -0.2378568 0.6270081 0.2378568), wk = 0.0021645 k( 351) = ( -0.2466663 0.6317120 0.2466663), wk = 0.0021645 k( 352) = ( -0.2554758 0.6364161 0.2554758), wk = 0.0021645 k( 353) = ( -0.2642853 0.6411201 0.2642853), wk = 0.0021645 k( 354) = ( -0.2730949 0.6458241 0.2730949), wk = 0.0021645 k( 355) = ( -0.2819044 0.6505281 0.2819044), wk = 0.0021645 k( 356) = ( -0.2907139 0.6552321 0.2907139), wk = 0.0021645 k( 357) = ( -0.2995234 0.6599361 0.2995234), wk = 0.0021645 k( 358) = ( -0.3083329 0.6646401 0.3083329), wk = 0.0021645 k( 359) = ( -0.3171424 0.6693441 0.3171424), wk = 0.0021645 k( 360) = ( -0.3259519 0.6740481 0.3259519), wk = 0.0021645 k( 361) = ( -0.3259519 0.6740481 0.3259519), wk = 0.0021645 k( 362) = ( -0.3301970 0.6698030 0.3301970), wk = 0.0021645 k( 363) = ( -0.3344421 0.6655579 0.3344421), wk = 0.0021645 k( 364) = ( -0.3386871 0.6613128 0.3386871), wk = 0.0021645 k( 365) = ( -0.3429322 0.6570678 0.3429322), wk = 0.0021645 k( 366) = ( -0.3471773 0.6528227 0.3471773), wk = 0.0021645 k( 367) = ( -0.3514224 0.6485776 0.3514224), wk = 0.0021645 k( 368) = ( -0.3556674 0.6443326 0.3556675), wk = 0.0021645 k( 369) = ( -0.3599125 0.6400875 0.3599125), wk = 0.0021645 k( 370) = ( -0.3641576 0.6358424 0.3641576), wk = 0.0021645 k( 371) = ( -0.3684027 0.6315973 0.3684027), wk = 0.0021645 k( 372) = ( -0.3726477 0.6273522 0.3726477), wk = 0.0021645 k( 373) = ( -0.3768928 0.6231072 0.3768928), wk = 0.0021645 k( 374) = ( -0.3811379 0.6188621 0.3811379), wk = 0.0021645 k( 375) = ( -0.3853830 0.6146170 0.3853830), wk = 0.0021645 k( 376) = ( -0.3896281 0.6103719 0.3896281), wk = 0.0021645 k( 377) = ( -0.3938731 0.6061269 0.3938731), wk = 0.0021645 k( 378) = ( -0.3981182 0.6018818 0.3981182), wk = 0.0021645 k( 379) = ( -0.4023633 0.5976367 0.4023633), wk = 0.0021645 k( 380) = ( -0.4066084 0.5933917 0.4066084), wk = 0.0021645 k( 381) = ( -0.4108534 0.5891466 0.4108534), wk = 0.0021645 k( 382) = ( -0.4150985 0.5849015 0.4150985), wk = 0.0021645 k( 383) = ( -0.4193436 0.5806564 0.4193436), wk = 0.0021645 k( 384) = ( -0.4235887 0.5764113 0.4235887), wk = 0.0021645 k( 385) = ( -0.4278337 0.5721663 0.4278337), wk = 0.0021645 k( 386) = ( -0.4320788 0.5679212 0.4320788), wk = 0.0021645 k( 387) = ( -0.4363239 0.5636761 0.4363239), wk = 0.0021645 k( 388) = ( -0.4405690 0.5594311 0.4405690), wk = 0.0021645 k( 389) = ( -0.4448140 0.5551860 0.4448140), wk = 0.0021645 k( 390) = ( -0.4490591 0.5509409 0.4490591), wk = 0.0021645 k( 391) = ( -0.4533042 0.5466958 0.4533042), wk = 0.0021645 k( 392) = ( -0.4575493 0.5424507 0.4575493), wk = 0.0021645 k( 393) = ( -0.4617943 0.5382057 0.4617943), wk = 0.0021645 k( 394) = ( -0.4660394 0.5339606 0.4660394), wk = 0.0021645 k( 395) = ( -0.4702845 0.5297155 0.4702845), wk = 0.0021645 k( 396) = ( -0.4745296 0.5254705 0.4745296), wk = 0.0021645 k( 397) = ( -0.4787746 0.5212254 0.4787746), wk = 0.0021645 k( 398) = ( -0.4830197 0.5169803 0.4830197), wk = 0.0021645 k( 399) = ( -0.4872648 0.5127352 0.4872648), wk = 0.0021645 k( 400) = ( -0.4915099 0.5084901 0.4915099), wk = 0.0021645 k( 401) = ( -0.4957549 0.5042451 0.4957549), wk = 0.0021645 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 k( 403) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 404) = ( 0.0042373 0.0042373 0.4957627), wk = 0.0021645 k( 405) = ( 0.0084746 0.0084746 0.4915254), wk = 0.0021645 k( 406) = ( 0.0127119 0.0127119 0.4872881), wk = 0.0021645 k( 407) = ( 0.0169491 0.0169492 0.4830509), wk = 0.0021645 k( 408) = ( 0.0211864 0.0211864 0.4788136), wk = 0.0021645 k( 409) = ( 0.0254237 0.0254237 0.4745763), wk = 0.0021645 k( 410) = ( 0.0296610 0.0296610 0.4703390), wk = 0.0021645 k( 411) = ( 0.0338983 0.0338983 0.4661017), wk = 0.0021645 k( 412) = ( 0.0381356 0.0381356 0.4618644), wk = 0.0021645 k( 413) = ( 0.0423729 0.0423729 0.4576271), wk = 0.0021645 k( 414) = ( 0.0466102 0.0466102 0.4533898), wk = 0.0021645 k( 415) = ( 0.0508475 0.0508475 0.4491525), wk = 0.0021645 k( 416) = ( 0.0550848 0.0550848 0.4449152), wk = 0.0021645 k( 417) = ( 0.0593220 0.0593220 0.4406780), wk = 0.0021645 k( 418) = ( 0.0635593 0.0635593 0.4364407), wk = 0.0021645 k( 419) = ( 0.0677966 0.0677966 0.4322034), wk = 0.0021645 k( 420) = ( 0.0720339 0.0720339 0.4279661), wk = 0.0021645 k( 421) = ( 0.0762712 0.0762712 0.4237288), wk = 0.0021645 k( 422) = ( 0.0805085 0.0805085 0.4194915), wk = 0.0021645 k( 423) = ( 0.0847458 0.0847458 0.4152542), wk = 0.0021645 k( 424) = ( 0.0889830 0.0889831 0.4110169), wk = 0.0021645 k( 425) = ( 0.0932203 0.0932203 0.4067797), wk = 0.0021645 k( 426) = ( 0.0974576 0.0974576 0.4025424), wk = 0.0021645 k( 427) = ( 0.1016949 0.1016949 0.3983051), wk = 0.0021645 k( 428) = ( 0.1059322 0.1059322 0.3940678), wk = 0.0021645 k( 429) = ( 0.1101695 0.1101695 0.3898305), wk = 0.0021645 k( 430) = ( 0.1144068 0.1144068 0.3855932), wk = 0.0021645 k( 431) = ( 0.1186441 0.1186441 0.3813559), wk = 0.0021645 k( 432) = ( 0.1228814 0.1228814 0.3771186), wk = 0.0021645 k( 433) = ( 0.1271186 0.1271186 0.3728814), wk = 0.0021645 k( 434) = ( 0.1313559 0.1313559 0.3686441), wk = 0.0021645 k( 435) = ( 0.1355932 0.1355932 0.3644068), wk = 0.0021645 k( 436) = ( 0.1398305 0.1398305 0.3601695), wk = 0.0021645 k( 437) = ( 0.1440678 0.1440678 0.3559322), wk = 0.0021645 k( 438) = ( 0.1483051 0.1483051 0.3516949), wk = 0.0021645 k( 439) = ( 0.1525424 0.1525424 0.3474576), wk = 0.0021645 k( 440) = ( 0.1567797 0.1567797 0.3432203), wk = 0.0021645 k( 441) = ( 0.1610169 0.1610170 0.3389831), wk = 0.0021645 k( 442) = ( 0.1652542 0.1652542 0.3347458), wk = 0.0021645 k( 443) = ( 0.1694915 0.1694915 0.3305085), wk = 0.0021645 k( 444) = ( 0.1737288 0.1737288 0.3262712), wk = 0.0021645 k( 445) = ( 0.1779661 0.1779661 0.3220339), wk = 0.0021645 k( 446) = ( 0.1822034 0.1822034 0.3177966), wk = 0.0021645 k( 447) = ( 0.1864407 0.1864407 0.3135593), wk = 0.0021645 k( 448) = ( 0.1906780 0.1906780 0.3093220), wk = 0.0021645 k( 449) = ( 0.1949153 0.1949153 0.3050847), wk = 0.0021645 k( 450) = ( 0.1991525 0.1991525 0.3008475), wk = 0.0021645 k( 451) = ( 0.2033898 0.2033898 0.2966102), wk = 0.0021645 k( 452) = ( 0.2076271 0.2076271 0.2923729), wk = 0.0021645 k( 453) = ( 0.2118644 0.2118644 0.2881356), wk = 0.0021645 k( 454) = ( 0.2161017 0.2161017 0.2838983), wk = 0.0021645 k( 455) = ( 0.2203390 0.2203390 0.2796610), wk = 0.0021645 k( 456) = ( 0.2245763 0.2245763 0.2754237), wk = 0.0021645 k( 457) = ( 0.2288136 0.2288136 0.2711864), wk = 0.0021645 k( 458) = ( 0.2330509 0.2330509 0.2669492), wk = 0.0021645 k( 459) = ( 0.2372881 0.2372881 0.2627119), wk = 0.0021645 k( 460) = ( 0.2415254 0.2415254 0.2584746), wk = 0.0021645 k( 461) = ( 0.2457627 0.2457627 0.2542373), wk = 0.0021645 k( 462) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021645 Dense grid: 4561 G-vectors FFT dimensions: ( 24, 24, 24) Smooth grid: 2603 G-vectors FFT dimensions: ( 20, 20, 20) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.00 Mb ( 20, 16) NL pseudopotentials 0.00 Mb ( 10, 28) Each V/rho on FFT grid 0.01 Mb ( 576) Each G-vector array 0.00 Mb ( 129) G-vector shells 0.00 Mb ( 65) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.02 Mb ( 20, 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 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.8 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 1.9 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.0 secs Computing kpt #: 13 total cpu time spent up to now is 2.0 secs Computing kpt #: 14 total cpu time spent up to now is 2.1 secs Computing kpt #: 15 total cpu time spent up to now is 2.1 secs Computing kpt #: 16 total cpu time spent up to now is 2.1 secs Computing kpt #: 17 total cpu time spent up to now is 2.2 secs Computing kpt #: 18 total cpu time spent up to now is 2.2 secs Computing kpt #: 19 total cpu time spent up to now is 2.2 secs Computing kpt #: 20 total cpu time spent up to now is 2.3 secs Computing kpt #: 21 total cpu time spent up to now is 2.3 secs Computing kpt #: 22 total cpu time spent up to now is 2.4 secs Computing kpt #: 23 total cpu time spent up to now is 2.4 secs Computing kpt #: 24 total cpu time spent up to now is 2.4 secs Computing kpt #: 25 total cpu time spent up to now is 2.5 secs Computing kpt #: 26 total cpu time spent up to now is 2.5 secs Computing kpt #: 27 total cpu time spent up to now is 2.6 secs Computing kpt #: 28 total cpu time spent up to now is 2.6 secs Computing kpt #: 29 total cpu time spent up to now is 2.7 secs Computing kpt #: 30 total cpu time spent up to now is 2.7 secs Computing kpt #: 31 total cpu time spent up to now is 2.8 secs Computing kpt #: 32 total cpu time spent up to now is 2.8 secs Computing kpt #: 33 total cpu time spent up to now is 2.9 secs Computing kpt #: 34 total cpu time spent up to now is 2.9 secs Computing kpt #: 35 total cpu time spent up to now is 2.9 secs Computing kpt #: 36 total cpu time spent up to now is 3.0 secs Computing kpt #: 37 total cpu time spent up to now is 3.0 secs Computing kpt #: 38 total cpu time spent up to now is 3.0 secs Computing kpt #: 39 total cpu time spent up to now is 3.1 secs Computing kpt #: 40 total cpu time spent up to now is 3.1 secs Computing kpt #: 41 total cpu time spent up to now is 3.1 secs Computing kpt #: 42 total cpu time spent up to now is 3.2 secs Computing kpt #: 43 total cpu time spent up to now is 3.2 secs Computing kpt #: 44 total cpu time spent up to now is 3.2 secs Computing kpt #: 45 total cpu time spent up to now is 3.3 secs Computing kpt #: 46 total cpu time spent up to now is 3.3 secs Computing kpt #: 47 total cpu time spent up to now is 3.3 secs Computing kpt #: 48 total cpu time spent up to now is 3.3 secs Computing kpt #: 49 total cpu time spent up to now is 3.4 secs Computing kpt #: 50 total cpu time spent up to now is 3.4 secs Computing kpt #: 51 total cpu time spent up to now is 3.4 secs Computing kpt #: 52 total cpu time spent up to now is 3.5 secs Computing kpt #: 53 total cpu time spent up to now is 3.5 secs Computing kpt #: 54 total cpu time spent up to now is 3.6 secs Computing kpt #: 55 total cpu time spent up to now is 3.6 secs Computing kpt #: 56 total cpu time spent up to now is 3.6 secs Computing kpt #: 57 total cpu time spent up to now is 3.7 secs Computing kpt #: 58 total cpu time spent up to now is 3.7 secs Computing kpt #: 59 total cpu time spent up to now is 3.7 secs Computing kpt #: 60 total cpu time spent up to now is 3.8 secs Computing kpt #: 61 total cpu time spent up to now is 3.8 secs Computing kpt #: 62 total cpu time spent up to now is 3.8 secs Computing kpt #: 63 total cpu time spent up to now is 3.9 secs Computing kpt #: 64 total cpu time spent up to now is 3.9 secs Computing kpt #: 65 total cpu time spent up to now is 3.9 secs Computing kpt #: 66 total cpu time spent up to now is 4.0 secs Computing kpt #: 67 total cpu time spent up to now is 4.0 secs Computing kpt #: 68 total cpu time spent up to now is 4.0 secs Computing kpt #: 69 total cpu time spent up to now is 4.1 secs Computing kpt #: 70 total cpu time spent up to now is 4.1 secs Computing kpt #: 71 total cpu time spent up to now is 4.1 secs Computing kpt #: 72 total cpu time spent up to now is 4.2 secs Computing kpt #: 73 total cpu time spent up to now is 4.2 secs Computing kpt #: 74 total cpu time spent up to now is 4.2 secs Computing kpt #: 75 total cpu time spent up to now is 4.3 secs Computing kpt #: 76 total cpu time spent up to now is 4.3 secs Computing kpt #: 77 total cpu time spent up to now is 4.3 secs Computing kpt #: 78 total cpu time spent up to now is 4.4 secs Computing kpt #: 79 total cpu time spent up to now is 4.4 secs Computing kpt #: 80 total cpu time spent up to now is 4.4 secs Computing kpt #: 81 total cpu time spent up to now is 4.5 secs Computing kpt #: 82 total cpu time spent up to now is 4.5 secs Computing kpt #: 83 total cpu time spent up to now is 4.5 secs Computing kpt #: 84 total cpu time spent up to now is 4.6 secs Computing kpt #: 85 total cpu time spent up to now is 4.6 secs Computing kpt #: 86 total cpu time spent up to now is 4.6 secs Computing kpt #: 87 total cpu time spent up to now is 4.7 secs Computing kpt #: 88 total cpu time spent up to now is 4.7 secs Computing kpt #: 89 total cpu time spent up to now is 4.7 secs Computing kpt #: 90 total cpu time spent up to now is 4.8 secs Computing kpt #: 91 total cpu time spent up to now is 4.8 secs Computing kpt #: 92 total cpu time spent up to now is 4.8 secs Computing kpt #: 93 total cpu time spent up to now is 4.8 secs Computing kpt #: 94 total cpu time spent up to now is 4.9 secs Computing kpt #: 95 total cpu time spent up to now is 4.9 secs Computing kpt #: 96 total cpu time spent up to now is 4.9 secs Computing kpt #: 97 total cpu time spent up to now is 5.0 secs Computing kpt #: 98 total cpu time spent up to now is 5.0 secs Computing kpt #: 99 total cpu time spent up to now is 5.0 secs Computing kpt #: 100 total cpu time spent up to now is 5.1 secs Computing kpt #: 101 total cpu time spent up to now is 5.1 secs Computing kpt #: 102 total cpu time spent up to now is 5.1 secs Computing kpt #: 103 total cpu time spent up to now is 5.2 secs Computing kpt #: 104 total cpu time spent up to now is 5.2 secs Computing kpt #: 105 total cpu time spent up to now is 5.2 secs Computing kpt #: 106 total cpu time spent up to now is 5.3 secs Computing kpt #: 107 total cpu time spent up to now is 5.3 secs Computing kpt #: 108 total cpu time spent up to now is 5.3 secs Computing kpt #: 109 total cpu time spent up to now is 5.4 secs Computing kpt #: 110 total cpu time spent up to now is 5.4 secs Computing kpt #: 111 total cpu time spent up to now is 5.4 secs Computing kpt #: 112 total cpu time spent up to now is 5.5 secs Computing kpt #: 113 total cpu time spent up to now is 5.5 secs Computing kpt #: 114 total cpu time spent up to now is 5.5 secs Computing kpt #: 115 total cpu time spent up to now is 5.6 secs Computing kpt #: 116 total cpu time spent up to now is 5.6 secs Computing kpt #: 117 total cpu time spent up to now is 5.6 secs Computing kpt #: 118 total cpu time spent up to now is 5.7 secs Computing kpt #: 119 total cpu time spent up to now is 5.7 secs Computing kpt #: 120 total cpu time spent up to now is 5.7 secs Computing kpt #: 121 total cpu time spent up to now is 5.8 secs Computing kpt #: 122 total cpu time spent up to now is 5.8 secs Computing kpt #: 123 total cpu time spent up to now is 5.9 secs Computing kpt #: 124 total cpu time spent up to now is 5.9 secs Computing kpt #: 125 total cpu time spent up to now is 6.0 secs Computing kpt #: 126 total cpu time spent up to now is 6.0 secs Computing kpt #: 127 total cpu time spent up to now is 6.1 secs Computing kpt #: 128 total cpu time spent up to now is 6.1 secs Computing kpt #: 129 total cpu time spent up to now is 6.1 secs Computing kpt #: 130 total cpu time spent up to now is 6.2 secs Computing kpt #: 131 total cpu time spent up to now is 6.2 secs Computing kpt #: 132 total cpu time spent up to now is 6.3 secs Computing kpt #: 133 total cpu time spent up to now is 6.3 secs Computing kpt #: 134 total cpu time spent up to now is 6.3 secs Computing kpt #: 135 total cpu time spent up to now is 6.4 secs Computing kpt #: 136 total cpu time spent up to now is 6.4 secs Computing kpt #: 137 total cpu time spent up to now is 6.5 secs Computing kpt #: 138 total cpu time spent up to now is 6.5 secs Computing kpt #: 139 total cpu time spent up to now is 6.5 secs Computing kpt #: 140 total cpu time spent up to now is 6.6 secs Computing kpt #: 141 total cpu time spent up to now is 6.6 secs Computing kpt #: 142 total cpu time spent up to now is 6.6 secs Computing kpt #: 143 total cpu time spent up to now is 6.7 secs Computing kpt #: 144 total cpu time spent up to now is 6.7 secs Computing kpt #: 145 total cpu time spent up to now is 6.7 secs Computing kpt #: 146 total cpu time spent up to now is 6.8 secs Computing kpt #: 147 total cpu time spent up to now is 6.8 secs Computing kpt #: 148 total cpu time spent up to now is 6.9 secs Computing kpt #: 149 total cpu time spent up to now is 6.9 secs Computing kpt #: 150 total cpu time spent up to now is 7.0 secs Computing kpt #: 151 total cpu time spent up to now is 7.0 secs Computing kpt #: 152 total cpu time spent up to now is 7.0 secs Computing kpt #: 153 total cpu time spent up to now is 7.1 secs Computing kpt #: 154 total cpu time spent up to now is 7.1 secs Computing kpt #: 155 total cpu time spent up to now is 7.2 secs Computing kpt #: 156 total cpu time spent up to now is 7.2 secs Computing kpt #: 157 total cpu time spent up to now is 7.3 secs Computing kpt #: 158 total cpu time spent up to now is 7.4 secs Computing kpt #: 159 total cpu time spent up to now is 7.4 secs Computing kpt #: 160 total cpu time spent up to now is 7.4 secs Computing kpt #: 161 total cpu time spent up to now is 7.5 secs Computing kpt #: 162 total cpu time spent up to now is 7.5 secs Computing kpt #: 163 total cpu time spent up to now is 7.6 secs Computing kpt #: 164 total cpu time spent up to now is 7.6 secs Computing kpt #: 165 total cpu time spent up to now is 7.7 secs Computing kpt #: 166 total cpu time spent up to now is 7.7 secs Computing kpt #: 167 total cpu time spent up to now is 7.8 secs Computing kpt #: 168 total cpu time spent up to now is 7.8 secs Computing kpt #: 169 total cpu time spent up to now is 7.9 secs Computing kpt #: 170 total cpu time spent up to now is 7.9 secs Computing kpt #: 171 total cpu time spent up to now is 8.0 secs Computing kpt #: 172 total cpu time spent up to now is 8.0 secs Computing kpt #: 173 total cpu time spent up to now is 8.1 secs Computing kpt #: 174 total cpu time spent up to now is 8.1 secs Computing kpt #: 175 total cpu time spent up to now is 8.2 secs Computing kpt #: 176 total cpu time spent up to now is 8.2 secs Computing kpt #: 177 total cpu time spent up to now is 8.3 secs Computing kpt #: 178 total cpu time spent up to now is 8.4 secs Computing kpt #: 179 total cpu time spent up to now is 8.4 secs Computing kpt #: 180 total cpu time spent up to now is 8.5 secs Computing kpt #: 181 total cpu time spent up to now is 8.5 secs Computing kpt #: 182 total cpu time spent up to now is 8.6 secs Computing kpt #: 183 total cpu time spent up to now is 8.6 secs Computing kpt #: 184 total cpu time spent up to now is 8.7 secs Computing kpt #: 185 total cpu time spent up to now is 8.7 secs Computing kpt #: 186 total cpu time spent up to now is 8.7 secs Computing kpt #: 187 total cpu time spent up to now is 8.8 secs Computing kpt #: 188 total cpu time spent up to now is 8.8 secs Computing kpt #: 189 total cpu time spent up to now is 8.9 secs Computing kpt #: 190 total cpu time spent up to now is 8.9 secs Computing kpt #: 191 total cpu time spent up to now is 9.0 secs Computing kpt #: 192 total cpu time spent up to now is 9.0 secs Computing kpt #: 193 total cpu time spent up to now is 9.0 secs Computing kpt #: 194 total cpu time spent up to now is 9.1 secs Computing kpt #: 195 total cpu time spent up to now is 9.1 secs Computing kpt #: 196 total cpu time spent up to now is 9.2 secs Computing kpt #: 197 total cpu time spent up to now is 9.2 secs Computing kpt #: 198 total cpu time spent up to now is 9.2 secs Computing kpt #: 199 total cpu time spent up to now is 9.3 secs Computing kpt #: 200 total cpu time spent up to now is 9.3 secs Computing kpt #: 201 total cpu time spent up to now is 9.3 secs Computing kpt #: 202 total cpu time spent up to now is 9.4 secs Computing kpt #: 203 total cpu time spent up to now is 9.4 secs Computing kpt #: 204 total cpu time spent up to now is 9.4 secs Computing kpt #: 205 total cpu time spent up to now is 9.5 secs Computing kpt #: 206 total cpu time spent up to now is 9.5 secs Computing kpt #: 207 total cpu time spent up to now is 9.5 secs Computing kpt #: 208 total cpu time spent up to now is 9.6 secs Computing kpt #: 209 total cpu time spent up to now is 9.6 secs Computing kpt #: 210 total cpu time spent up to now is 9.6 secs Computing kpt #: 211 total cpu time spent up to now is 9.6 secs Computing kpt #: 212 total cpu time spent up to now is 9.7 secs Computing kpt #: 213 total cpu time spent up to now is 9.7 secs Computing kpt #: 214 total cpu time spent up to now is 9.7 secs Computing kpt #: 215 total cpu time spent up to now is 9.8 secs Computing kpt #: 216 total cpu time spent up to now is 9.8 secs Computing kpt #: 217 total cpu time spent up to now is 9.8 secs Computing kpt #: 218 total cpu time spent up to now is 9.9 secs Computing kpt #: 219 total cpu time spent up to now is 9.9 secs Computing kpt #: 220 total cpu time spent up to now is 9.9 secs Computing kpt #: 221 total cpu time spent up to now is 9.9 secs Computing kpt #: 222 total cpu time spent up to now is 10.0 secs Computing kpt #: 223 total cpu time spent up to now is 10.0 secs Computing kpt #: 224 total cpu time spent up to now is 10.0 secs Computing kpt #: 225 total cpu time spent up to now is 10.1 secs Computing kpt #: 226 total cpu time spent up to now is 10.1 secs Computing kpt #: 227 total cpu time spent up to now is 10.1 secs Computing kpt #: 228 total cpu time spent up to now is 10.1 secs Computing kpt #: 229 total cpu time spent up to now is 10.2 secs Computing kpt #: 230 total cpu time spent up to now is 10.2 secs Computing kpt #: 231 total cpu time spent up to now is 10.2 secs Computing kpt #: 232 total cpu time spent up to now is 10.3 secs Computing kpt #: 233 total cpu time spent up to now is 10.3 secs Computing kpt #: 234 total cpu time spent up to now is 10.3 secs Computing kpt #: 235 total cpu time spent up to now is 10.3 secs Computing kpt #: 236 total cpu time spent up to now is 10.4 secs Computing kpt #: 237 total cpu time spent up to now is 10.4 secs Computing kpt #: 238 total cpu time spent up to now is 10.4 secs Computing kpt #: 239 total cpu time spent up to now is 10.5 secs Computing kpt #: 240 total cpu time spent up to now is 10.5 secs Computing kpt #: 241 total cpu time spent up to now is 10.5 secs Computing kpt #: 242 total cpu time spent up to now is 10.5 secs Computing kpt #: 243 total cpu time spent up to now is 10.6 secs Computing kpt #: 244 total cpu time spent up to now is 10.6 secs Computing kpt #: 245 total cpu time spent up to now is 10.6 secs Computing kpt #: 246 total cpu time spent up to now is 10.7 secs Computing kpt #: 247 total cpu time spent up to now is 10.7 secs Computing kpt #: 248 total cpu time spent up to now is 10.7 secs Computing kpt #: 249 total cpu time spent up to now is 10.8 secs Computing kpt #: 250 total cpu time spent up to now is 10.8 secs Computing kpt #: 251 total cpu time spent up to now is 10.8 secs Computing kpt #: 252 total cpu time spent up to now is 10.9 secs Computing kpt #: 253 total cpu time spent up to now is 10.9 secs Computing kpt #: 254 total cpu time spent up to now is 10.9 secs Computing kpt #: 255 total cpu time spent up to now is 11.0 secs Computing kpt #: 256 total cpu time spent up to now is 11.0 secs Computing kpt #: 257 total cpu time spent up to now is 11.0 secs Computing kpt #: 258 total cpu time spent up to now is 11.1 secs Computing kpt #: 259 total cpu time spent up to now is 11.1 secs Computing kpt #: 260 total cpu time spent up to now is 11.1 secs Computing kpt #: 261 total cpu time spent up to now is 11.2 secs Computing kpt #: 262 total cpu time spent up to now is 11.2 secs Computing kpt #: 263 total cpu time spent up to now is 11.2 secs Computing kpt #: 264 total cpu time spent up to now is 11.3 secs Computing kpt #: 265 total cpu time spent up to now is 11.3 secs Computing kpt #: 266 total cpu time spent up to now is 11.3 secs Computing kpt #: 267 total cpu time spent up to now is 11.4 secs Computing kpt #: 268 total cpu time spent up to now is 11.4 secs Computing kpt #: 269 total cpu time spent up to now is 11.4 secs Computing kpt #: 270 total cpu time spent up to now is 11.5 secs Computing kpt #: 271 total cpu time spent up to now is 11.5 secs Computing kpt #: 272 total cpu time spent up to now is 11.5 secs Computing kpt #: 273 total cpu time spent up to now is 11.6 secs Computing kpt #: 274 total cpu time spent up to now is 11.6 secs Computing kpt #: 275 total cpu time spent up to now is 11.6 secs Computing kpt #: 276 total cpu time spent up to now is 11.7 secs Computing kpt #: 277 total cpu time spent up to now is 11.7 secs Computing kpt #: 278 total cpu time spent up to now is 11.7 secs Computing kpt #: 279 total cpu time spent up to now is 11.8 secs Computing kpt #: 280 total cpu time spent up to now is 11.8 secs Computing kpt #: 281 total cpu time spent up to now is 11.9 secs Computing kpt #: 282 total cpu time spent up to now is 11.9 secs Computing kpt #: 283 total cpu time spent up to now is 11.9 secs Computing kpt #: 284 total cpu time spent up to now is 12.0 secs Computing kpt #: 285 total cpu time spent up to now is 12.0 secs Computing kpt #: 286 total cpu time spent up to now is 12.0 secs Computing kpt #: 287 total cpu time spent up to now is 12.1 secs Computing kpt #: 288 total cpu time spent up to now is 12.1 secs Computing kpt #: 289 total cpu time spent up to now is 12.1 secs Computing kpt #: 290 total cpu time spent up to now is 12.2 secs Computing kpt #: 291 total cpu time spent up to now is 12.2 secs Computing kpt #: 292 total cpu time spent up to now is 12.2 secs Computing kpt #: 293 total cpu time spent up to now is 12.3 secs Computing kpt #: 294 total cpu time spent up to now is 12.3 secs Computing kpt #: 295 total cpu time spent up to now is 12.4 secs Computing kpt #: 296 total cpu time spent up to now is 12.4 secs Computing kpt #: 297 total cpu time spent up to now is 12.4 secs Computing kpt #: 298 total cpu time spent up to now is 12.5 secs Computing kpt #: 299 total cpu time spent up to now is 12.5 secs Computing kpt #: 300 total cpu time spent up to now is 12.6 secs Computing kpt #: 301 total cpu time spent up to now is 12.6 secs Computing kpt #: 302 total cpu time spent up to now is 12.6 secs Computing kpt #: 303 total cpu time spent up to now is 12.7 secs Computing kpt #: 304 total cpu time spent up to now is 12.7 secs Computing kpt #: 305 total cpu time spent up to now is 12.7 secs Computing kpt #: 306 total cpu time spent up to now is 12.8 secs Computing kpt #: 307 total cpu time spent up to now is 12.8 secs Computing kpt #: 308 total cpu time spent up to now is 12.9 secs Computing kpt #: 309 total cpu time spent up to now is 12.9 secs Computing kpt #: 310 total cpu time spent up to now is 12.9 secs Computing kpt #: 311 total cpu time spent up to now is 13.0 secs Computing kpt #: 312 total cpu time spent up to now is 13.0 secs Computing kpt #: 313 total cpu time spent up to now is 13.0 secs Computing kpt #: 314 total cpu time spent up to now is 13.1 secs Computing kpt #: 315 total cpu time spent up to now is 13.1 secs Computing kpt #: 316 total cpu time spent up to now is 13.2 secs Computing kpt #: 317 total cpu time spent up to now is 13.2 secs Computing kpt #: 318 total cpu time spent up to now is 13.2 secs Computing kpt #: 319 total cpu time spent up to now is 13.3 secs Computing kpt #: 320 total cpu time spent up to now is 13.3 secs Computing kpt #: 321 total cpu time spent up to now is 13.3 secs Computing kpt #: 322 total cpu time spent up to now is 13.4 secs Computing kpt #: 323 total cpu time spent up to now is 13.4 secs Computing kpt #: 324 total cpu time spent up to now is 13.4 secs Computing kpt #: 325 total cpu time spent up to now is 13.5 secs Computing kpt #: 326 total cpu time spent up to now is 13.5 secs Computing kpt #: 327 total cpu time spent up to now is 13.5 secs Computing kpt #: 328 total cpu time spent up to now is 13.6 secs Computing kpt #: 329 total cpu time spent up to now is 13.6 secs Computing kpt #: 330 total cpu time spent up to now is 13.6 secs Computing kpt #: 331 total cpu time spent up to now is 13.7 secs Computing kpt #: 332 total cpu time spent up to now is 13.7 secs Computing kpt #: 333 total cpu time spent up to now is 13.7 secs Computing kpt #: 334 total cpu time spent up to now is 13.8 secs Computing kpt #: 335 total cpu time spent up to now is 13.8 secs Computing kpt #: 336 total cpu time spent up to now is 13.8 secs Computing kpt #: 337 total cpu time spent up to now is 13.9 secs Computing kpt #: 338 total cpu time spent up to now is 13.9 secs Computing kpt #: 339 total cpu time spent up to now is 13.9 secs Computing kpt #: 340 total cpu time spent up to now is 14.0 secs Computing kpt #: 341 total cpu time spent up to now is 14.0 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 14.1 secs Computing kpt #: 344 total cpu time spent up to now is 14.1 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 14.2 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 14.3 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 14.4 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 14.5 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 14.6 secs Computing kpt #: 361 total cpu time spent up to now is 14.6 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 14.7 secs Computing kpt #: 364 total cpu time spent up to now is 14.7 secs Computing kpt #: 365 total cpu time spent up to now is 14.7 secs Computing kpt #: 366 total cpu time spent up to now is 14.8 secs Computing kpt #: 367 total cpu time spent up to now is 14.8 secs Computing kpt #: 368 total cpu time spent up to now is 14.8 secs Computing kpt #: 369 total cpu time spent up to now is 14.8 secs Computing kpt #: 370 total cpu time spent up to now is 14.9 secs Computing kpt #: 371 total cpu time spent up to now is 14.9 secs Computing kpt #: 372 total cpu time spent up to now is 14.9 secs Computing kpt #: 373 total cpu time spent up to now is 15.0 secs Computing kpt #: 374 total cpu time spent up to now is 15.0 secs Computing kpt #: 375 total cpu time spent up to now is 15.0 secs Computing kpt #: 376 total cpu time spent up to now is 15.1 secs Computing kpt #: 377 total cpu time spent up to now is 15.1 secs Computing kpt #: 378 total cpu time spent up to now is 15.1 secs Computing kpt #: 379 total cpu time spent up to now is 15.2 secs Computing kpt #: 380 total cpu time spent up to now is 15.2 secs Computing kpt #: 381 total cpu time spent up to now is 15.2 secs Computing kpt #: 382 total cpu time spent up to now is 15.3 secs Computing kpt #: 383 total cpu time spent up to now is 15.3 secs Computing kpt #: 384 total cpu time spent up to now is 15.3 secs Computing kpt #: 385 total cpu time spent up to now is 15.4 secs Computing kpt #: 386 total cpu time spent up to now is 15.4 secs Computing kpt #: 387 total cpu time spent up to now is 15.4 secs Computing kpt #: 388 total cpu time spent up to now is 15.5 secs Computing kpt #: 389 total cpu time spent up to now is 15.5 secs Computing kpt #: 390 total cpu time spent up to now is 15.5 secs Computing kpt #: 391 total cpu time spent up to now is 15.6 secs Computing kpt #: 392 total cpu time spent up to now is 15.6 secs Computing kpt #: 393 total cpu time spent up to now is 15.7 secs Computing kpt #: 394 total cpu time spent up to now is 15.7 secs Computing kpt #: 395 total cpu time spent up to now is 15.7 secs Computing kpt #: 396 total cpu time spent up to now is 15.8 secs Computing kpt #: 397 total cpu time spent up to now is 15.8 secs Computing kpt #: 398 total cpu time spent up to now is 15.8 secs Computing kpt #: 399 total cpu time spent up to now is 15.8 secs Computing kpt #: 400 total cpu time spent up to now is 15.9 secs Computing kpt #: 401 total cpu time spent up to now is 15.9 secs Computing kpt #: 402 total cpu time spent up to now is 15.9 secs Computing kpt #: 403 total cpu time spent up to now is 16.0 secs Computing kpt #: 404 total cpu time spent up to now is 16.0 secs Computing kpt #: 405 total cpu time spent up to now is 16.0 secs Computing kpt #: 406 total cpu time spent up to now is 16.1 secs Computing kpt #: 407 total cpu time spent up to now is 16.1 secs Computing kpt #: 408 total cpu time spent up to now is 16.1 secs Computing kpt #: 409 total cpu time spent up to now is 16.2 secs Computing kpt #: 410 total cpu time spent up to now is 16.2 secs Computing kpt #: 411 total cpu time spent up to now is 16.2 secs Computing kpt #: 412 total cpu time spent up to now is 16.3 secs Computing kpt #: 413 total cpu time spent up to now is 16.3 secs Computing kpt #: 414 total cpu time spent up to now is 16.3 secs Computing kpt #: 415 total cpu time spent up to now is 16.4 secs Computing kpt #: 416 total cpu time spent up to now is 16.4 secs Computing kpt #: 417 total cpu time spent up to now is 16.4 secs Computing kpt #: 418 total cpu time spent up to now is 16.5 secs Computing kpt #: 419 total cpu time spent up to now is 16.5 secs Computing kpt #: 420 total cpu time spent up to now is 16.5 secs Computing kpt #: 421 total cpu time spent up to now is 16.5 secs Computing kpt #: 422 total cpu time spent up to now is 16.6 secs Computing kpt #: 423 total cpu time spent up to now is 16.6 secs Computing kpt #: 424 total cpu time spent up to now is 16.6 secs Computing kpt #: 425 total cpu time spent up to now is 16.6 secs Computing kpt #: 426 total cpu time spent up to now is 16.7 secs Computing kpt #: 427 total cpu time spent up to now is 16.7 secs Computing kpt #: 428 total cpu time spent up to now is 16.7 secs Computing kpt #: 429 total cpu time spent up to now is 16.8 secs Computing kpt #: 430 total cpu time spent up to now is 16.8 secs Computing kpt #: 431 total cpu time spent up to now is 16.8 secs Computing kpt #: 432 total cpu time spent up to now is 16.8 secs Computing kpt #: 433 total cpu time spent up to now is 16.9 secs Computing kpt #: 434 total cpu time spent up to now is 16.9 secs Computing kpt #: 435 total cpu time spent up to now is 16.9 secs Computing kpt #: 436 total cpu time spent up to now is 17.0 secs Computing kpt #: 437 total cpu time spent up to now is 17.0 secs Computing kpt #: 438 total cpu time spent up to now is 17.0 secs Computing kpt #: 439 total cpu time spent up to now is 17.0 secs Computing kpt #: 440 total cpu time spent up to now is 17.1 secs Computing kpt #: 441 total cpu time spent up to now is 17.1 secs Computing kpt #: 442 total cpu time spent up to now is 17.1 secs Computing kpt #: 443 total cpu time spent up to now is 17.2 secs Computing kpt #: 444 total cpu time spent up to now is 17.2 secs Computing kpt #: 445 total cpu time spent up to now is 17.2 secs Computing kpt #: 446 total cpu time spent up to now is 17.3 secs Computing kpt #: 447 total cpu time spent up to now is 17.3 secs Computing kpt #: 448 total cpu time spent up to now is 17.4 secs Computing kpt #: 449 total cpu time spent up to now is 17.5 secs Computing kpt #: 450 total cpu time spent up to now is 17.5 secs Computing kpt #: 451 total cpu time spent up to now is 17.5 secs Computing kpt #: 452 total cpu time spent up to now is 17.6 secs Computing kpt #: 453 total cpu time spent up to now is 17.6 secs Computing kpt #: 454 total cpu time spent up to now is 17.6 secs Computing kpt #: 455 total cpu time spent up to now is 17.7 secs Computing kpt #: 456 total cpu time spent up to now is 17.7 secs Computing kpt #: 457 total cpu time spent up to now is 17.8 secs Computing kpt #: 458 total cpu time spent up to now is 17.8 secs Computing kpt #: 459 total cpu time spent up to now is 17.8 secs Computing kpt #: 460 total cpu time spent up to now is 17.9 secs Computing kpt #: 461 total cpu time spent up to now is 17.9 secs Computing kpt #: 462 total cpu time spent up to now is 17.9 secs ethr = 1.25E-07, avg # of iterations = 9.1 total cpu time spent up to now is 17.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 327 PWs) bands (ev): -4.9586 -4.9586 6.3042 6.3042 6.9293 6.9293 7.1126 7.1126 12.6727 12.6727 18.4421 18.4421 18.8112 18.8112 18.8342 18.8342 k = 0.0000 0.0000 0.0117 ( 327 PWs) bands (ev): -4.9571 -4.9571 6.2548 6.2548 6.9528 6.9528 7.1356 7.1356 12.6814 12.6814 18.4140 18.4140 18.7347 18.7347 18.9134 18.9134 k = 0.0000 0.0000 0.0233 ( 327 PWs) bands (ev): -4.9527 -4.9527 6.1326 6.1326 6.9901 6.9901 7.2120 7.2120 12.7077 12.7077 18.3324 18.3324 18.6591 18.6591 18.9932 18.9932 k = 0.0000 0.0000 0.0350 ( 327 PWs) bands (ev): -4.9453 -4.9453 5.9734 5.9734 7.0153 7.0153 7.3322 7.3322 12.7514 12.7514 18.2093 18.2093 18.5901 18.5901 19.0493 19.0493 k = 0.0000 0.0000 0.0467 ( 327 PWs) bands (ev): -4.9349 -4.9349 5.7955 5.7955 7.0341 7.0341 7.4718 7.4718 12.8123 12.8123 18.0593 18.0593 18.5183 18.5183 19.0704 19.0704 k = 0.0000 0.0000 0.0583 ( 323 PWs) bands (ev): -4.9216 -4.9216 5.6073 5.6073 7.0523 7.0523 7.6175 7.6175 12.8910 12.8910 17.8926 17.8926 18.4375 18.4375 19.0659 19.0659 k = 0.0000 0.0000 0.0700 ( 327 PWs) bands (ev): -4.9053 -4.9053 5.4116 5.4116 7.0718 7.0718 7.7629 7.7629 12.9806 12.9806 17.7135 17.7135 18.3455 18.3455 19.0496 19.0496 k = 0.0000 0.0000 0.0817 ( 327 PWs) bands (ev): -4.8861 -4.8861 5.2124 5.2124 7.0938 7.0938 7.9057 7.9057 13.0922 13.0922 17.5268 17.5268 18.2420 18.2420 19.0274 19.0274 k = 0.0000 0.0000 0.0933 ( 327 PWs) bands (ev): -4.8639 -4.8639 5.0102 5.0102 7.1184 7.1184 8.0444 8.0444 13.2199 13.2199 17.3339 17.3339 18.1277 18.1277 19.0014 19.0014 k = 0.0000 0.0000 0.1050 ( 327 PWs) bands (ev): -4.8387 -4.8387 4.8060 4.8060 7.1459 7.1459 8.1784 8.1784 13.3633 13.3633 17.1364 17.1364 18.0034 18.0034 18.9726 18.9726 k = 0.0000 0.0000 0.1167 ( 327 PWs) bands (ev): -4.8106 -4.8106 4.6005 4.6005 7.1765 7.1765 8.3074 8.3074 13.5217 13.5217 16.9356 16.9356 17.8703 17.8703 18.9416 18.9416 k = 0.0000 0.0000 0.1283 ( 327 PWs) bands (ev): -4.7795 -4.7795 4.3942 4.3942 7.2100 7.2100 8.4315 8.4315 13.6946 13.6946 16.7322 16.7322 17.7296 17.7296 18.9086 18.9086 k = 0.0000 0.0000 0.1400 ( 329 PWs) bands (ev): -4.7455 -4.7455 4.1872 4.1872 7.2467 7.2467 8.5504 8.5504 13.8783 13.8783 16.5270 16.5270 17.5822 17.5822 18.8742 18.8742 k = 0.0000 0.0000 0.1517 ( 329 PWs) bands (ev): -4.7085 -4.7085 3.9806 3.9806 7.2865 7.2865 8.6652 8.6652 14.0780 14.0780 16.3208 16.3208 17.4293 17.4293 18.8384 18.8384 k = 0.0000 0.0000 0.1633 ( 329 PWs) bands (ev): -4.6685 -4.6685 3.7743 3.7743 7.3293 7.3293 8.7760 8.7760 14.2900 14.2900 16.1139 16.1139 17.2718 17.2718 18.8015 18.8015 k = 0.0000 0.0000 0.1750 ( 329 PWs) bands (ev): -4.6256 -4.6256 3.5687 3.5687 7.3753 7.3753 8.8832 8.8832 14.5135 14.5135 15.9069 15.9069 17.1104 17.1104 18.7639 18.7639 k = 0.0000 0.0000 0.1867 ( 329 PWs) bands (ev): -4.5798 -4.5798 3.3639 3.3639 7.4245 7.4245 8.9873 8.9873 14.7477 14.7477 15.7001 15.7001 16.9459 16.9459 18.7257 18.7257 k = 0.0000 0.0000 0.1983 ( 329 PWs) bands (ev): -4.5309 -4.5309 3.1602 3.1602 7.4767 7.4767 9.0887 9.0887 14.9918 14.9918 15.4940 15.4940 16.7789 16.7789 18.6871 18.6871 k = 0.0000 0.0000 0.2100 ( 327 PWs) bands (ev): -4.4791 -4.4791 2.9577 2.9577 7.5321 7.5321 9.1879 9.1879 15.2410 15.2410 15.2947 15.2947 16.6101 16.6101 18.6484 18.6484 k = 0.0000 0.0000 0.2217 ( 323 PWs) bands (ev): -4.4243 -4.4243 2.7567 2.7567 7.5908 7.5908 9.2855 9.2855 15.0874 15.0874 15.5101 15.5101 16.4400 16.4400 18.6104 18.6104 k = 0.0000 0.0000 0.2333 ( 323 PWs) bands (ev): -4.3666 -4.3666 2.5571 2.5571 7.6525 7.6525 9.3817 9.3817 14.8840 14.8840 15.7802 15.7802 16.2688 16.2688 18.5720 18.5720 k = 0.0000 0.0000 0.2450 ( 319 PWs) bands (ev): -4.3060 -4.3060 2.3593 2.3593 7.7173 7.7173 9.4771 9.4771 14.6819 14.6819 16.0596 16.0596 16.0973 16.0973 18.5342 18.5342 k = 0.0000 0.0000 0.2567 ( 319 PWs) bands (ev): -4.2424 -4.2424 2.1632 2.1632 7.7852 7.7852 9.5717 9.5717 14.4811 14.4811 15.9253 15.9253 16.3445 16.3445 18.4968 18.4968 k = 0.0000 0.0000 0.2683 ( 319 PWs) bands (ev): -4.1759 -4.1759 1.9690 1.9690 7.8562 7.8562 9.6662 9.6662 14.2820 14.2820 15.7535 15.7535 16.6356 16.6356 18.4602 18.4602 k = 0.0000 0.0000 0.2800 ( 323 PWs) bands (ev): -4.1064 -4.1064 1.7767 1.7767 7.9302 7.9302 9.7607 9.7607 14.0832 14.0832 15.5819 15.5819 16.9324 16.9324 18.4243 18.4243 k = 0.0000 0.0000 0.2916 ( 319 PWs) bands (ev): -4.0340 -4.0340 1.5866 1.5866 8.0081 8.0081 9.8562 9.8562 13.8903 13.8903 15.4112 15.4112 17.2346 17.2346 18.3901 18.3901 k = 0.0000 0.0000 0.3033 ( 319 PWs) bands (ev): -3.9586 -3.9586 1.3986 1.3986 8.0884 8.0884 9.9516 9.9516 13.6966 13.6966 15.2411 15.2411 17.5410 17.5410 18.3566 18.3566 k = 0.0000 0.0000 0.3150 ( 319 PWs) bands (ev): -3.8803 -3.8803 1.2129 1.2129 8.1719 8.1719 10.0478 10.0478 13.5051 13.5051 15.0721 15.0721 17.8505 17.8505 18.3244 18.3244 k = 0.0000 0.0000 0.3266 ( 323 PWs) bands (ev): -3.7991 -3.7991 1.0289 1.0289 8.2581 8.2581 10.1448 10.1448 13.3137 13.3137 14.9041 14.9041 18.1545 18.1545 18.2941 18.2941 k = 0.0000 0.0000 0.3383 ( 323 PWs) bands (ev): -3.7149 -3.7149 0.8477 0.8477 8.3476 8.3476 10.2431 10.2431 13.1265 13.1265 14.7375 14.7375 18.2632 18.2632 18.4150 18.4150 k = 0.0000 0.0000 0.3500 ( 319 PWs) bands (ev): -3.6276 -3.6276 0.6689 0.6689 8.4403 8.4403 10.3427 10.3427 12.9436 12.9436 14.5725 14.5725 18.2359 18.2359 18.4305 18.4305 k = 0.0000 0.0000 0.3616 ( 319 PWs) bands (ev): -3.5376 -3.5376 0.4926 0.4926 8.5360 8.5360 10.4437 10.4437 12.7609 12.7609 14.4088 14.4088 18.2098 18.2098 18.3977 18.3977 k = 0.0000 0.0000 0.3733 ( 319 PWs) bands (ev): -3.4446 -3.4446 0.3187 0.3187 8.6348 8.6348 10.5463 10.5463 12.5806 12.5806 14.2468 14.2468 18.1855 18.1855 18.3624 18.3624 k = 0.0000 0.0000 0.3850 ( 320 PWs) bands (ev): -3.3487 -3.3487 0.1470 0.1470 8.7366 8.7366 10.6504 10.6504 12.4027 12.4027 14.0865 14.0865 18.1629 18.1629 18.3278 18.3278 k = 0.0000 0.0000 0.3966 ( 318 PWs) bands (ev): -3.2499 -3.2499 -0.0218 -0.0218 8.8414 8.8414 10.7563 10.7563 12.2289 12.2289 13.9285 13.9285 18.1423 18.1423 18.2947 18.2947 k = 0.0000 0.0000 0.4083 ( 322 PWs) bands (ev): -3.1481 -3.1481 -0.1880 -0.1880 8.9492 8.9492 10.8635 10.8635 12.0556 12.0556 13.7713 13.7713 18.1230 18.1230 18.2630 18.2630 k = 0.0000 0.0000 0.4200 ( 322 PWs) bands (ev): -3.0435 -3.0435 -0.3515 -0.3515 9.0601 9.0601 10.9732 10.9732 11.8853 11.8853 13.6166 13.6166 18.1063 18.1063 18.2335 18.2335 k = 0.0000 0.0000 0.4316 ( 322 PWs) bands (ev): -2.9360 -2.9360 -0.5125 -0.5125 9.1740 9.1740 11.0849 11.0849 11.7176 11.7176 13.4639 13.4639 18.0917 18.0917 18.2061 18.2061 k = 0.0000 0.0000 0.4433 ( 322 PWs) bands (ev): -2.8255 -2.8255 -0.6707 -0.6707 9.2908 9.2908 11.1985 11.1985 11.5526 11.5526 13.3133 13.3133 18.0791 18.0791 18.1807 18.1807 k = 0.0000 0.0000 0.4550 ( 322 PWs) bands (ev): -2.7122 -2.7122 -0.8263 -0.8263 9.4107 9.4107 11.3132 11.3132 11.3913 11.3913 13.1647 13.1647 18.0687 18.0687 18.1575 18.1575 k = 0.0000 0.0000 0.4666 ( 322 PWs) bands (ev): -2.5960 -2.5960 -0.9792 -0.9792 9.5335 9.5335 11.2296 11.2296 11.4330 11.4330 13.0183 13.0183 18.0604 18.0604 18.1365 18.1365 k = 0.0000 0.0000 0.4783 ( 322 PWs) bands (ev): -2.4769 -2.4769 -1.1293 -1.1293 9.6592 9.6592 11.0729 11.0729 11.5527 11.5527 12.8740 12.8740 18.0544 18.0544 18.1177 18.1177 k = 0.0000 0.0000 0.4900 ( 320 PWs) bands (ev): -2.3548 -2.3548 -1.2768 -1.2768 9.7867 9.7867 10.9202 10.9202 11.6748 11.6748 12.7319 12.7319 18.0505 18.0505 18.1013 18.1013 k = 0.0000 0.0000 0.5016 ( 322 PWs) bands (ev): -2.2300 -2.2300 -1.4214 -1.4214 9.9183 9.9183 10.7681 10.7681 11.7991 11.7991 12.5920 12.5920 18.0489 18.0489 18.0869 18.0869 k = 0.0000 0.0000 0.5133 ( 322 PWs) bands (ev): -2.1023 -2.1023 -1.5632 -1.5632 10.0528 10.0528 10.6194 10.6194 11.9257 11.9257 12.4543 12.4543 18.0495 18.0495 18.0749 18.0749 k = 0.0000 0.0000 0.5250 ( 322 PWs) bands (ev): -1.9718 -1.9718 -1.7022 -1.7022 10.1901 10.1901 10.4734 10.4734 12.0545 12.0545 12.3188 12.3188 18.0524 18.0524 18.0651 18.0651 k = 0.0000 0.0000 0.5366 ( 322 PWs) bands (ev): -1.8384 -1.8384 -1.8384 -1.8384 10.3304 10.3304 10.3304 10.3304 12.1855 12.1855 12.1855 12.1855 18.0576 18.0576 18.0576 18.0576 k = 0.0000 0.0000 0.5366 ( 322 PWs) bands (ev): -1.8384 -1.8384 -1.8384 -1.8384 10.3304 10.3304 10.3304 10.3304 12.1855 12.1855 12.1855 12.1855 18.0576 18.0576 18.0576 18.0576 k =-0.0109 0.0042 0.5366 ( 322 PWs) bands (ev): -1.8370 -1.8370 -1.8369 -1.8369 10.2914 10.2914 10.2962 10.2962 12.2207 12.2207 12.2278 12.2278 18.0529 18.0529 18.0560 18.0560 k =-0.0217 0.0085 0.5366 ( 322 PWs) bands (ev): -1.8328 -1.8328 -1.8326 -1.8326 10.1879 10.1879 10.1964 10.1964 12.3260 12.3260 12.3391 12.3391 18.0419 18.0419 18.0482 18.0482 k =-0.0326 0.0127 0.5366 ( 322 PWs) bands (ev): -1.8258 -1.8258 -1.8255 -1.8255 10.0372 10.0372 10.0481 10.0481 12.4842 12.4842 12.5020 12.5020 18.0248 18.0248 18.0343 18.0343 k =-0.0435 0.0169 0.5366 ( 328 PWs) bands (ev): -1.8159 -1.8159 -1.8156 -1.8156 9.8548 9.8548 9.8671 9.8671 12.6776 12.6776 12.6992 12.6992 18.0019 18.0019 18.0147 18.0147 k =-0.0543 0.0212 0.5366 ( 326 PWs) bands (ev): -1.8031 -1.8031 -1.8027 -1.8027 9.6548 9.6548 9.6677 9.6677 12.8960 12.8960 12.9208 12.9208 17.9742 17.9742 17.9903 17.9903 k =-0.0652 0.0254 0.5366 ( 326 PWs) bands (ev): -1.7876 -1.7876 -1.7871 -1.7871 9.4425 9.4425 9.4556 9.4556 13.1304 13.1304 13.1582 13.1582 17.9418 17.9418 17.9615 17.9615 k =-0.0761 0.0297 0.5366 ( 326 PWs) bands (ev): -1.7693 -1.7693 -1.7687 -1.7687 9.2231 9.2231 9.2362 9.2362 13.3759 13.3759 13.4067 13.4067 17.9055 17.9055 17.9291 17.9291 k =-0.0870 0.0339 0.5366 ( 328 PWs) bands (ev): -1.7481 -1.7481 -1.7474 -1.7474 8.9995 8.9995 9.0125 9.0125 13.6282 13.6282 13.6622 13.6622 17.8661 17.8661 17.8938 17.8938 k =-0.0978 0.0381 0.5366 ( 328 PWs) bands (ev): -1.7242 -1.7242 -1.7234 -1.7234 8.7740 8.7740 8.7867 8.7867 13.8867 13.8867 13.9243 13.9243 17.8245 17.8245 17.8567 17.8567 k =-0.1087 0.0424 0.5366 ( 330 PWs) bands (ev): -1.6974 -1.6974 -1.6966 -1.6966 8.5476 8.5476 8.5601 8.5601 14.1484 14.1484 14.1901 14.1901 17.7794 17.7794 17.8166 17.8166 k =-0.1196 0.0466 0.5366 ( 330 PWs) bands (ev): -1.6679 -1.6679 -1.6670 -1.6670 8.3214 8.3214 8.3335 8.3335 14.4123 14.4123 14.4586 14.4586 17.7359 17.7359 17.7788 17.7788 k =-0.1304 0.0508 0.5366 ( 330 PWs) bands (ev): -1.6356 -1.6356 -1.6346 -1.6346 8.0960 8.0960 8.1078 8.1078 14.6766 14.6766 14.7284 14.7284 17.6933 17.6933 17.7427 17.7427 k =-0.1413 0.0551 0.5366 ( 330 PWs) bands (ev): -1.6006 -1.6006 -1.5995 -1.5995 7.8719 7.8719 7.8834 7.8834 14.9393 14.9393 14.9977 14.9977 17.6530 17.6530 17.7100 17.7100 k =-0.1522 0.0593 0.5366 ( 332 PWs) bands (ev): -1.5628 -1.5628 -1.5617 -1.5617 7.6486 7.6486 7.6597 7.6597 15.1973 15.1973 15.2637 15.2637 17.6167 17.6167 17.6828 17.6828 k =-0.1630 0.0635 0.5366 ( 332 PWs) bands (ev): -1.5224 -1.5224 -1.5211 -1.5211 7.4277 7.4277 7.4385 7.4385 15.4502 15.4502 15.5262 15.5262 17.5872 17.5872 17.6639 17.6639 k =-0.1739 0.0678 0.5366 ( 332 PWs) bands (ev): -1.4792 -1.4792 -1.4779 -1.4779 7.2094 7.2094 7.2199 7.2199 15.6918 15.6918 15.7793 15.7793 17.5688 17.5688 17.6579 17.6579 k =-0.1848 0.0720 0.5366 ( 332 PWs) bands (ev): -1.4335 -1.4335 -1.4320 -1.4320 6.9935 6.9935 7.0037 7.0037 15.9166 15.9166 16.0171 16.0171 17.5673 17.5673 17.6705 17.6705 k =-0.1957 0.0763 0.5366 ( 336 PWs) bands (ev): -1.3852 -1.3852 -1.3836 -1.3836 6.7791 6.7791 6.7890 6.7890 16.1161 16.1161 16.2295 16.2295 17.5918 17.5918 17.7089 17.7089 k =-0.2065 0.0805 0.5366 ( 336 PWs) bands (ev): -1.3342 -1.3342 -1.3326 -1.3326 6.5685 6.5685 6.5781 6.5781 16.2833 16.2833 16.4062 16.4062 17.6548 17.6548 17.7824 17.7824 k =-0.2174 0.0847 0.5366 ( 336 PWs) bands (ev): -1.2807 -1.2807 -1.2790 -1.2790 6.3608 6.3608 6.3701 6.3701 16.4108 16.4108 16.5356 16.5356 17.7667 17.7667 17.8973 17.8973 k =-0.2283 0.0890 0.5366 ( 336 PWs) bands (ev): -1.2247 -1.2247 -1.2229 -1.2229 6.1560 6.1560 6.1650 6.1650 16.4975 16.4975 16.6160 16.6160 17.9291 17.9291 18.0542 18.0542 k =-0.2391 0.0932 0.5366 ( 336 PWs) bands (ev): -1.1662 -1.1662 -1.1644 -1.1644 5.9543 5.9543 5.9631 5.9631 16.5489 16.5489 16.6558 16.6558 18.1331 18.1331 18.2477 18.2477 k =-0.2500 0.0974 0.5366 ( 336 PWs) bands (ev): -1.1054 -1.1054 -1.1035 -1.1035 5.7558 5.7558 5.7643 5.7643 16.5735 16.5735 16.6674 16.6674 18.3662 18.3662 18.4689 18.4689 k =-0.2609 0.1017 0.5366 ( 336 PWs) bands (ev): -1.0423 -1.0423 -1.0404 -1.0404 5.5607 5.5607 5.5689 5.5689 16.5792 16.5792 16.6611 16.6611 18.6179 18.6179 18.7095 18.7095 k =-0.2717 0.1059 0.5366 ( 336 PWs) bands (ev): -0.9770 -0.9770 -0.9750 -0.9750 5.3690 5.3690 5.3770 5.3770 16.5724 16.5724 16.6437 16.6437 18.8807 18.8807 18.9629 18.9629 k =-0.2826 0.1101 0.5366 ( 336 PWs) bands (ev): -0.9096 -0.9096 -0.9075 -0.9075 5.1810 5.1810 5.1887 5.1887 16.5573 16.5573 16.6197 16.6197 19.1498 19.1498 19.2242 19.2242 k =-0.2935 0.1144 0.5366 ( 336 PWs) bands (ev): -0.8402 -0.8402 -0.8380 -0.8380 4.9967 4.9967 5.0041 5.0041 16.5369 16.5369 16.5919 16.5919 19.4218 19.4218 19.4899 19.4899 k =-0.3043 0.1186 0.5366 ( 336 PWs) bands (ev): -0.7690 -0.7690 -0.7667 -0.7667 4.8163 4.8163 4.8235 4.8235 16.5133 16.5133 16.5620 16.5620 19.6945 19.6945 19.7573 19.7573 k =-0.3152 0.1229 0.5366 ( 336 PWs) bands (ev): -0.6960 -0.6960 -0.6937 -0.6937 4.6400 4.6400 4.6470 4.6470 16.4880 16.4880 16.5312 16.5312 19.9657 19.9657 20.0242 20.0242 k =-0.3261 0.1271 0.5366 ( 336 PWs) bands (ev): -0.6216 -0.6216 -0.6193 -0.6193 4.4680 4.4680 4.4748 4.4748 16.4618 16.4618 16.5003 16.5003 20.2339 20.2339 20.2887 20.2887 k =-0.3370 0.1313 0.5366 ( 336 PWs) bands (ev): -0.5459 -0.5459 -0.5435 -0.5435 4.3007 4.3007 4.3072 4.3072 16.4355 16.4355 16.4699 16.4699 20.4975 20.4975 20.5492 20.5492 k =-0.3478 0.1356 0.5366 ( 340 PWs) bands (ev): -0.4693 -0.4693 -0.4668 -0.4668 4.1380 4.1380 4.1442 4.1442 16.4096 16.4096 16.4403 16.4403 20.7550 20.7550 20.8040 20.8040 k =-0.3587 0.1398 0.5366 ( 340 PWs) bands (ev): -0.3919 -0.3919 -0.3895 -0.3895 3.9808 3.9808 3.9867 3.9867 16.3846 16.3846 16.4121 16.4121 21.0048 21.0048 21.0514 21.0514 k =-0.3696 0.1440 0.5366 ( 340 PWs) bands (ev): -0.3144 -0.3144 -0.3119 -0.3119 3.8292 3.8292 3.8349 3.8349 16.3607 16.3607 16.3852 16.3852 21.2455 21.2455 21.2898 21.2898 k =-0.3804 0.1483 0.5366 ( 340 PWs) bands (ev): -0.2371 -0.2371 -0.2346 -0.2346 3.6837 3.6837 3.6891 3.6891 16.3382 16.3382 16.3600 16.3600 21.4754 21.4754 21.5175 21.5175 k =-0.3913 0.1525 0.5366 ( 342 PWs) bands (ev): -0.1607 -0.1607 -0.1582 -0.1582 3.5448 3.5448 3.5499 3.5499 16.3167 16.3167 16.3360 16.3360 21.6927 21.6927 21.7325 21.7325 k =-0.4022 0.1567 0.5366 ( 340 PWs) bands (ev): -0.0857 -0.0857 -0.0834 -0.0834 3.4136 3.4136 3.4184 3.4184 16.2982 16.2982 16.3151 16.3151 21.8982 21.8982 21.9355 21.9355 k =-0.4130 0.1610 0.5366 ( 340 PWs) bands (ev): -0.0132 -0.0132 -0.0109 -0.0109 3.2908 3.2908 3.2951 3.2951 16.2808 16.2808 16.2956 16.2956 22.0856 22.0856 22.1202 22.1202 k =-0.4239 0.1652 0.5366 ( 340 PWs) bands (ev): 0.0560 0.0560 0.0581 0.0581 3.1773 3.1773 3.1813 3.1813 16.2654 16.2654 16.2781 16.2781 22.2556 22.2556 22.2871 22.2871 k =-0.4348 0.1695 0.5366 ( 344 PWs) bands (ev): 0.1205 0.1205 0.1224 0.1224 3.0744 3.0744 3.0779 3.0779 16.2520 16.2520 16.2627 16.2627 22.4065 22.4065 22.4347 22.4347 k =-0.4457 0.1737 0.5366 ( 344 PWs) bands (ev): 0.1790 0.1790 0.1808 0.1808 2.9834 2.9834 2.9865 2.9865 16.2407 16.2407 16.2495 16.2495 22.5373 22.5373 22.5617 22.5617 k =-0.4565 0.1779 0.5366 ( 344 PWs) bands (ev): 0.2301 0.2301 0.2316 0.2316 2.9059 2.9059 2.9085 2.9085 16.2315 16.2315 16.2385 16.2385 22.6466 22.6466 22.6668 22.6668 k =-0.4674 0.1822 0.5366 ( 344 PWs) bands (ev): 0.2721 0.2721 0.2733 0.2733 2.8435 2.8435 2.8455 2.8455 16.2246 16.2246 16.2298 16.2298 22.7334 22.7334 22.7489 22.7489 k =-0.4783 0.1864 0.5366 ( 344 PWs) bands (ev): 0.3036 0.3036 0.3044 0.3044 2.7977 2.7977 2.7990 2.7990 16.2198 16.2198 16.2233 16.2233 22.7967 22.7967 22.8073 22.8073 k =-0.4891 0.1906 0.5366 ( 340 PWs) bands (ev): 0.3235 0.3235 0.3240 0.3240 2.7698 2.7698 2.7704 2.7704 16.2182 16.2182 16.2199 16.2199 22.8361 22.8361 22.8415 22.8415 k =-0.5000 0.1949 0.5366 ( 336 PWs) bands (ev): 0.3307 0.3307 0.3307 0.3307 2.7606 2.7606 2.7606 2.7606 16.2187 16.2187 16.2187 16.2187 22.8511 22.8511 22.8511 22.8511 k =-0.5000 0.1949 0.5366 ( 336 PWs) bands (ev): 0.3307 0.3307 0.3307 0.3307 2.7606 2.7606 2.7606 2.7606 16.2187 16.2187 16.2187 16.2187 22.8511 22.8511 22.8511 22.8511 k =-0.4923 0.1919 0.5284 ( 340 PWs) bands (ev): 0.3154 0.3154 0.3321 0.3321 2.7620 2.7620 2.7781 2.7781 16.2181 16.2181 16.2199 16.2199 22.8314 22.8314 22.8463 22.8463 k =-0.4846 0.1889 0.5201 ( 340 PWs) bands (ev): 0.2729 0.2729 0.3365 0.3365 2.7664 2.7664 2.8297 2.8297 16.2206 16.2206 16.2242 16.2242 22.7744 22.7744 22.8303 22.8303 k =-0.4769 0.1859 0.5119 ( 344 PWs) bands (ev): 0.2058 0.2058 0.3432 0.3432 2.7736 2.7736 2.9119 2.9119 16.2243 16.2243 16.2301 16.2301 22.6817 22.6817 22.8040 22.8040 k =-0.4692 0.1829 0.5036 ( 344 PWs) bands (ev): 0.1184 0.1184 0.3535 0.3535 2.7838 2.7838 3.0206 3.0206 16.2309 16.2309 16.2393 16.2393 22.5563 22.5563 22.7677 22.7677 k =-0.4615 0.1799 0.4954 ( 344 PWs) bands (ev): 0.0149 0.0149 0.3669 0.3669 2.7968 2.7968 3.1514 3.1514 16.2395 16.2395 16.2509 16.2509 22.4018 22.4018 22.7221 22.7221 k =-0.4538 0.1769 0.4871 ( 344 PWs) bands (ev): -0.1006 -0.1006 0.3831 0.3831 2.8128 2.8128 3.3002 3.3002 16.2500 16.2500 16.2650 16.2650 22.2220 22.2220 22.6678 22.6678 k =-0.4462 0.1739 0.4788 ( 340 PWs) bands (ev): -0.2249 -0.2249 0.4024 0.4024 2.8317 2.8317 3.4639 3.4639 16.2623 16.2623 16.2816 16.2816 22.0208 22.0208 22.6056 22.6056 k =-0.4385 0.1709 0.4706 ( 340 PWs) bands (ev): -0.3554 -0.3554 0.4246 0.4246 2.8534 2.8535 3.6399 3.6399 16.2763 16.2763 16.3007 16.3007 21.8015 21.8015 22.5361 22.5361 k =-0.4308 0.1679 0.4623 ( 340 PWs) bands (ev): -0.4902 -0.4902 0.4497 0.4497 2.8781 2.8781 3.8262 3.8262 16.2919 16.2919 16.3223 16.3223 21.5674 21.5674 22.4602 22.4602 k =-0.4231 0.1649 0.4541 ( 340 PWs) bands (ev): -0.6277 -0.6277 0.4778 0.4778 2.9056 2.9056 4.0212 4.0212 16.3090 16.3090 16.3464 16.3464 21.3211 21.3211 22.3787 22.3787 k =-0.4154 0.1619 0.4458 ( 342 PWs) bands (ev): -0.7669 -0.7669 0.5088 0.5088 2.9359 2.9359 4.2238 4.2238 16.3261 16.3261 16.3729 16.3729 21.0624 21.0624 22.2922 22.2922 k =-0.4077 0.1589 0.4376 ( 342 PWs) bands (ev): -0.9067 -0.9067 0.5429 0.5429 2.9691 2.9691 4.4331 4.4331 16.3454 16.3454 16.4020 16.4020 20.7990 20.7990 22.2016 22.2016 k =-0.4000 0.1559 0.4293 ( 342 PWs) bands (ev): -1.0465 -1.0465 0.5799 0.5799 3.0052 3.0052 4.6485 4.6485 16.3656 16.3656 16.4335 16.4335 20.5301 20.5301 22.1075 22.1075 k =-0.3923 0.1529 0.4211 ( 340 PWs) bands (ev): -1.1856 -1.1856 0.6198 0.6198 3.0441 3.0441 4.8697 4.8697 16.3861 16.3861 16.4686 16.4686 20.2574 20.2574 22.0113 22.0113 k =-0.3846 0.1499 0.4128 ( 340 PWs) bands (ev): -1.3239 -1.3239 0.6627 0.6627 3.0858 3.0858 5.0955 5.0955 16.4064 16.4064 16.5049 16.5049 19.9826 19.9826 21.9120 21.9120 k =-0.3769 0.1469 0.4045 ( 336 PWs) bands (ev): -1.4609 -1.4609 0.7086 0.7086 3.1304 3.1304 5.3261 5.3261 16.4259 16.4259 16.5436 16.5436 19.7074 19.7074 21.8111 21.8111 k =-0.3692 0.1439 0.3963 ( 334 PWs) bands (ev): -1.5963 -1.5963 0.7578 0.7578 3.1780 3.1780 5.5609 5.5609 16.4446 16.4446 16.5848 16.5848 19.4335 19.4335 21.7086 21.7086 k =-0.3615 0.1409 0.3880 ( 334 PWs) bands (ev): -1.7299 -1.7299 0.8097 0.8097 3.2282 3.2282 5.7998 5.7998 16.4589 16.4589 16.6282 16.6282 19.1629 19.1629 21.6052 21.6052 k =-0.3538 0.1379 0.3798 ( 334 PWs) bands (ev): -1.8615 -1.8615 0.8645 0.8645 3.2810 3.2810 6.0427 6.0427 16.4680 16.4680 16.6739 16.6739 18.8983 18.8983 21.5012 21.5012 k =-0.3462 0.1349 0.3715 ( 334 PWs) bands (ev): -1.9911 -1.9911 0.9223 0.9223 3.3366 3.3366 6.2893 6.2893 16.4689 16.4689 16.7219 16.7219 18.6430 18.6430 21.3970 21.3970 k =-0.3385 0.1319 0.3633 ( 334 PWs) bands (ev): -2.1183 -2.1183 0.9830 0.9830 3.3950 3.3950 6.5405 6.5405 16.4576 16.4576 16.7718 16.7718 18.4021 18.4021 21.2928 21.2928 k =-0.3308 0.1289 0.3550 ( 336 PWs) bands (ev): -2.2432 -2.2432 1.0468 1.0468 3.4560 3.4560 6.7941 6.7941 16.4281 16.4281 16.8229 16.8229 18.1806 18.1806 21.1872 21.1872 k =-0.3231 0.1259 0.3467 ( 336 PWs) bands (ev): -2.3657 -2.3657 1.1135 1.1135 3.5196 3.5196 7.0512 7.0512 16.3730 16.3730 16.8775 16.8775 17.9868 17.9868 21.0841 21.0841 k =-0.3154 0.1229 0.3385 ( 336 PWs) bands (ev): -2.4857 -2.4857 1.1832 1.1832 3.5860 3.5860 7.3116 7.3116 16.2848 16.2848 16.9342 16.9342 17.8285 17.8285 20.9817 20.9817 k =-0.3077 0.1199 0.3302 ( 336 PWs) bands (ev): -2.6031 -2.6031 1.2559 1.2559 3.6549 3.6549 7.5752 7.5752 16.1585 16.1585 16.9930 16.9930 17.7110 17.7110 20.7009 20.7009 k =-0.3000 0.1169 0.3220 ( 336 PWs) bands (ev): -2.7179 -2.7179 1.3316 1.3316 3.7264 3.7264 7.8419 7.8419 15.9944 15.9944 17.0538 17.0538 17.6338 17.6338 20.4008 20.4008 k =-0.2923 0.1139 0.3137 ( 336 PWs) bands (ev): -2.8300 -2.8300 1.4102 1.4102 3.8004 3.8004 8.1116 8.1116 15.7983 15.7983 17.1165 17.1165 17.5915 17.5915 20.1037 20.1037 k =-0.2846 0.1109 0.3055 ( 336 PWs) bands (ev): -2.9394 -2.9394 1.4919 1.4919 3.8770 3.8770 8.3843 8.3843 15.5778 15.5778 17.1810 17.1810 17.5765 17.5765 19.8095 19.8095 k =-0.2769 0.1079 0.2972 ( 337 PWs) bands (ev): -3.0462 -3.0462 1.5765 1.5765 3.9559 3.9559 8.6592 8.6592 15.3402 15.3402 17.2472 17.2472 17.5816 17.5816 19.5185 19.5185 k =-0.2692 0.1049 0.2890 ( 337 PWs) bands (ev): -3.1502 -3.1502 1.6642 1.6642 4.0373 4.0373 8.9375 8.9375 15.0909 15.0909 17.3153 17.3153 17.6013 17.6013 19.2308 19.2308 k =-0.2615 0.1019 0.2807 ( 335 PWs) bands (ev): -3.2513 -3.2513 1.7548 1.7548 4.1211 4.1211 9.2185 9.2185 14.8343 14.8343 17.3851 17.3851 17.6318 17.6318 18.9464 18.9464 k =-0.2538 0.0989 0.2724 ( 335 PWs) bands (ev): -3.3496 -3.3496 1.8485 1.8485 4.2071 4.2071 9.5021 9.5021 14.5725 14.5725 17.4561 17.4561 17.6700 17.6700 18.6655 18.6655 k =-0.2462 0.0959 0.2642 ( 333 PWs) bands (ev): -3.4451 -3.4451 1.9451 1.9451 4.2954 4.2954 9.7882 9.7882 14.3094 14.3094 17.5282 17.5282 17.7142 17.7142 18.3888 18.3888 k =-0.2385 0.0929 0.2559 ( 333 PWs) bands (ev): -3.5378 -3.5378 2.0447 2.0447 4.3858 4.3858 10.0769 10.0769 14.0429 14.0429 17.6004 17.6004 17.7629 17.7629 18.1164 18.1164 k =-0.2308 0.0899 0.2477 ( 333 PWs) bands (ev): -3.6276 -3.6276 2.1474 2.1474 4.4783 4.4783 10.3679 10.3679 13.7758 13.7758 17.6665 17.6665 17.8149 17.8149 17.8550 17.8550 k =-0.2231 0.0869 0.2394 ( 329 PWs) bands (ev): -3.7144 -3.7144 2.2530 2.2530 4.5728 4.5728 10.6612 10.6612 13.5095 13.5095 17.5616 17.5616 17.7736 17.7736 17.8727 17.8727 k =-0.2154 0.0839 0.2312 ( 325 PWs) bands (ev): -3.7984 -3.7984 2.3617 2.3617 4.6697 4.6697 10.9585 10.9585 13.2435 13.2435 17.3093 17.3093 17.8439 17.8439 17.9296 17.9296 k =-0.2077 0.0809 0.2229 ( 321 PWs) bands (ev): -3.8795 -3.8795 2.4733 2.4733 4.7679 4.7679 11.2569 11.2569 12.9781 12.9781 17.0517 17.0517 17.9201 17.9201 17.9882 17.9882 k =-0.2000 0.0779 0.2147 ( 321 PWs) bands (ev): -3.9578 -3.9578 2.5880 2.5880 4.8677 4.8677 11.5565 11.5565 12.7140 12.7140 16.7973 16.7973 17.9979 17.9979 18.0473 18.0473 k =-0.1923 0.0750 0.2064 ( 321 PWs) bands (ev): -4.0331 -4.0331 2.7056 2.7056 4.9691 4.9691 11.8579 11.8579 12.4516 12.4516 16.5467 16.5467 18.0764 18.0764 18.1071 18.1071 k =-0.1846 0.0720 0.1981 ( 325 PWs) bands (ev): -4.1057 -4.1057 2.8262 2.8262 5.0719 5.0719 12.1591 12.1591 12.1916 12.1916 16.3004 16.3004 18.1551 18.1551 18.1667 18.1667 k =-0.1769 0.0690 0.1899 ( 325 PWs) bands (ev): -4.1751 -4.1751 2.9498 2.9498 5.1759 5.1759 11.9321 11.9321 12.4645 12.4645 16.0585 16.0585 18.2263 18.2263 18.2339 18.2339 k =-0.1692 0.0660 0.1816 ( 325 PWs) bands (ev): -4.2416 -4.2416 3.0764 3.0764 5.2809 5.2809 11.6756 11.6756 12.7703 12.7703 15.8214 15.8214 18.2852 18.2852 18.3122 18.3122 k =-0.1615 0.0630 0.1734 ( 325 PWs) bands (ev): -4.3052 -4.3052 3.2060 3.2060 5.3867 5.3867 11.4214 11.4214 13.0772 13.0772 15.5892 15.5892 18.3431 18.3431 18.3900 18.3900 k =-0.1538 0.0600 0.1651 ( 325 PWs) bands (ev): -4.3659 -4.3659 3.3385 3.3385 5.4932 5.4932 11.1695 11.1695 13.3851 13.3851 15.3622 15.3622 18.3995 18.3995 18.4668 18.4668 k =-0.1462 0.0570 0.1569 ( 325 PWs) bands (ev): -4.4236 -4.4236 3.4740 3.4740 5.5999 5.5999 10.9202 10.9202 13.6935 13.6935 15.1408 15.1408 18.4538 18.4538 18.5423 18.5423 k =-0.1385 0.0540 0.1486 ( 325 PWs) bands (ev): -4.4784 -4.4784 3.6125 3.6125 5.7067 5.7067 10.6734 10.6734 14.0023 14.0023 14.9251 14.9251 18.5055 18.5055 18.6161 18.6161 k =-0.1308 0.0510 0.1404 ( 325 PWs) bands (ev): -4.5302 -4.5302 3.7539 3.7539 5.8132 5.8132 10.4292 10.4292 14.3109 14.3109 14.7156 14.7156 18.5540 18.5540 18.6878 18.6878 k =-0.1231 0.0480 0.1321 ( 323 PWs) bands (ev): -4.5792 -4.5792 3.8984 3.8984 5.9200 5.9200 10.1879 10.1879 14.5182 14.5182 14.6184 14.6184 18.5982 18.5982 18.7571 18.7571 k =-0.1154 0.0450 0.1238 ( 327 PWs) bands (ev): -4.6251 -4.6251 4.0456 4.0456 6.0247 6.0247 9.9484 9.9484 14.3219 14.3219 14.9227 14.9227 18.6364 18.6364 18.8229 18.8229 k =-0.1077 0.0420 0.1156 ( 327 PWs) bands (ev): -4.6681 -4.6681 4.1956 4.1956 6.1278 6.1278 9.7128 9.7128 14.1333 14.1333 15.2285 15.2285 18.6681 18.6681 18.8854 18.8854 k =-0.1000 0.0390 0.1073 ( 327 PWs) bands (ev): -4.7081 -4.7081 4.3485 4.3485 6.2289 6.2289 9.4801 9.4801 13.9526 13.9526 15.5321 15.5321 18.6911 18.6911 18.9435 18.9435 k =-0.0923 0.0360 0.0991 ( 327 PWs) bands (ev): -4.7451 -4.7451 4.5041 4.5041 6.3272 6.3272 9.2505 9.2505 13.7804 13.7804 15.8329 15.8329 18.7042 18.7042 18.9961 18.9961 k =-0.0846 0.0330 0.0908 ( 327 PWs) bands (ev): -4.7792 -4.7792 4.6623 4.6623 6.4221 6.4221 9.0241 9.0241 13.6174 13.6174 16.1298 16.1298 18.7077 18.7077 19.0111 19.0111 k =-0.0769 0.0300 0.0826 ( 327 PWs) bands (ev): -4.8103 -4.8103 4.8232 4.8232 6.5130 6.5130 8.8011 8.8011 13.4644 13.4644 16.4219 16.4219 18.7037 18.7037 19.0214 19.0214 k =-0.0692 0.0270 0.0743 ( 323 PWs) bands (ev): -4.8385 -4.8385 4.9868 4.9868 6.5997 6.5997 8.5816 8.5816 13.3271 13.3271 16.7078 16.7078 18.6950 18.6950 19.0359 19.0359 k =-0.0615 0.0240 0.0660 ( 327 PWs) bands (ev): -4.8637 -4.8637 5.1520 5.1520 6.6798 6.6798 8.3659 8.3659 13.1958 13.1958 16.9853 16.9853 18.6838 18.6838 19.0516 19.0516 k =-0.0538 0.0210 0.0578 ( 323 PWs) bands (ev): -4.8859 -4.8859 5.3197 5.3197 6.7537 6.7537 8.1546 8.1546 13.0829 13.0829 17.2543 17.2543 18.6727 18.6727 19.0664 19.0664 k =-0.0462 0.0180 0.0495 ( 323 PWs) bands (ev): -4.9052 -4.9052 5.4882 5.4882 6.8193 6.8193 7.9483 7.9483 12.9779 12.9779 17.5101 17.5101 18.6626 18.6626 19.0777 19.0777 k =-0.0385 0.0150 0.0413 ( 327 PWs) bands (ev): -4.9215 -4.9215 5.6569 5.6569 6.8759 6.8759 7.7481 7.7481 12.8864 12.8864 17.7504 17.7504 18.6551 18.6551 19.0818 19.0818 k =-0.0308 0.0120 0.0330 ( 327 PWs) bands (ev): -4.9349 -4.9349 5.8243 5.8243 6.9220 6.9220 7.5568 7.5568 12.8107 12.8107 17.9709 17.9709 18.6525 18.6525 19.0722 19.0722 k =-0.0231 0.0090 0.0248 ( 327 PWs) bands (ev): -4.9453 -4.9453 5.9868 5.9868 6.9549 6.9549 7.3796 7.3796 12.7509 12.7509 18.1643 18.1643 18.6585 18.6585 19.0414 19.0414 k =-0.0154 0.0060 0.0165 ( 327 PWs) bands (ev): -4.9527 -4.9527 6.1367 6.1367 6.9682 6.9682 7.2300 7.2300 12.7076 12.7076 18.3180 18.3180 18.6823 18.6823 18.9871 18.9871 k =-0.0077 0.0030 0.0083 ( 327 PWs) bands (ev): -4.9571 -4.9571 6.2552 6.2552 6.9506 6.9506 7.1374 7.1374 12.6815 12.6815 18.4127 18.4127 18.7375 18.7375 18.9121 18.9121 k = 0.0000 0.0000 0.0000 ( 327 PWs) bands (ev): -4.9586 -4.9586 6.3042 6.3042 6.9293 6.9293 7.1126 7.1126 12.6727 12.6727 18.4421 18.4421 18.8112 18.8112 18.8342 18.8342 k = 0.0000 0.0000 0.0000 ( 327 PWs) bands (ev): -4.9586 -4.9586 6.3042 6.3042 6.9293 6.9293 7.1126 7.1126 12.6727 12.6727 18.4421 18.4421 18.8112 18.8112 18.8342 18.8342 k = 0.0042 0.0109-0.0000 ( 327 PWs) bands (ev): -4.9571 -4.9571 6.3056 6.3056 6.9306 6.9306 7.1140 7.1140 12.6742 12.6742 18.4390 18.4390 18.8097 18.8097 18.8158 18.8158 k = 0.0085 0.0217-0.0000 ( 327 PWs) bands (ev): -4.9527 -4.9527 6.3098 6.3098 6.9347 6.9347 7.1180 7.1180 12.6786 12.6786 18.4288 18.4288 18.7607 18.7607 18.8057 18.8057 k = 0.0127 0.0326-0.0000 ( 327 PWs) bands (ev): -4.9452 -4.9452 6.3167 6.3167 6.9415 6.9415 7.1248 7.1248 12.6860 12.6860 18.4096 18.4096 18.6713 18.6713 18.7986 18.7986 k = 0.0169 0.0434-0.0000 ( 319 PWs) bands (ev): -4.9348 -4.9348 6.3271 6.3271 6.9510 6.9510 7.1344 7.1344 12.6974 12.6974 18.3769 18.3769 18.5505 18.5505 18.7886 18.7886 k = 0.0212 0.0543-0.0000 ( 319 PWs) bands (ev): -4.9214 -4.9214 6.3396 6.3396 6.9632 6.9632 7.1466 7.1466 12.7107 12.7107 18.3199 18.3199 18.4017 18.4017 18.7529 18.7529 k = 0.0254 0.0652-0.0000 ( 319 PWs) bands (ev): -4.9051 -4.9051 6.3549 6.3549 6.9780 6.9780 7.1615 7.1615 12.7269 12.7269 18.2226 18.2226 18.2285 18.2285 18.6394 18.6394 k = 0.0296 0.0760-0.0000 ( 319 PWs) bands (ev): -4.8858 -4.8858 6.3730 6.3730 6.9956 6.9956 7.1791 7.1791 12.7461 12.7461 18.0348 18.0348 18.0743 18.0743 18.5531 18.5531 k = 0.0339 0.0869-0.0000 ( 319 PWs) bands (ev): -4.8635 -4.8635 6.3939 6.3939 7.0157 7.0157 7.1993 7.1993 12.7682 12.7682 17.8238 17.8238 17.8834 17.8834 18.4888 18.4888 k = 0.0381 0.0978-0.0000 ( 319 PWs) bands (ev): -4.8383 -4.8383 6.4176 6.4176 7.0385 7.0385 7.2222 7.2222 12.7932 12.7932 17.5988 17.5988 17.6648 17.6648 18.4340 18.4340 k = 0.0423 0.1086-0.0000 ( 319 PWs) bands (ev): -4.8100 -4.8100 6.4440 6.4440 7.0639 7.0639 7.2477 7.2477 12.8213 12.8213 17.3623 17.3623 17.4286 17.4286 18.3801 18.3801 k = 0.0466 0.1195-0.0000 ( 319 PWs) bands (ev): -4.7789 -4.7789 6.4733 6.4733 7.0919 7.0919 7.2757 7.2757 12.8522 12.8522 17.1165 17.1165 17.1807 17.1807 18.3222 18.3222 k = 0.0508 0.1303-0.0000 ( 319 PWs) bands (ev): -4.7447 -4.7447 6.5053 6.5053 7.1225 7.1225 7.3064 7.3064 12.8861 12.8861 16.8634 16.8634 16.9247 16.9247 18.2573 18.2573 k = 0.0550 0.1412-0.0000 ( 319 PWs) bands (ev): -4.7076 -4.7076 6.5402 6.5402 7.1555 7.1555 7.3395 7.3395 12.9230 12.9230 16.6046 16.6046 16.6629 16.6629 18.1832 18.1832 k = 0.0593 0.1521-0.0000 ( 319 PWs) bands (ev): -4.6675 -4.6675 6.5778 6.5778 7.1910 7.1910 7.3752 7.3752 12.9628 12.9628 16.3414 16.3414 16.3970 16.3970 18.0984 18.0984 k = 0.0635 0.1629-0.0000 ( 319 PWs) bands (ev): -4.6245 -4.6245 6.6182 6.6182 7.2290 7.2290 7.4132 7.4132 13.0056 13.0056 16.0748 16.0748 16.1282 16.1282 18.0015 18.0015 k = 0.0677 0.1738-0.0000 ( 319 PWs) bands (ev): -4.5785 -4.5785 6.6614 6.6614 7.2693 7.2693 7.4537 7.4537 13.0513 13.0513 15.8057 15.8057 15.8575 15.8575 17.8919 17.8919 k = 0.0720 0.1846-0.0000 ( 319 PWs) bands (ev): -4.5295 -4.5295 6.7073 6.7073 7.3119 7.3119 7.4965 7.4965 13.1000 13.1000 15.5351 15.5351 15.5856 15.5856 17.7693 17.7693 k = 0.0762 0.1955-0.0000 ( 319 PWs) bands (ev): -4.4776 -4.4776 6.7561 6.7561 7.3568 7.3568 7.5415 7.5415 13.1516 13.1516 15.2633 15.2633 15.3132 15.3132 17.6339 17.6339 k = 0.0804 0.2064-0.0000 ( 323 PWs) bands (ev): -4.4227 -4.4227 6.8076 6.8076 7.4039 7.4039 7.5888 7.5888 13.1989 13.1989 14.9911 14.9911 15.0406 15.0406 17.4842 17.4842 k = 0.0847 0.2172-0.0000 ( 323 PWs) bands (ev): -4.3649 -4.3649 6.8619 6.8619 7.4530 7.4530 7.6381 7.6381 13.2563 13.2563 14.7189 14.7189 14.7684 14.7684 17.3251 17.3251 k = 0.0889 0.2281-0.0000 ( 323 PWs) bands (ev): -4.3041 -4.3041 6.9190 6.9190 7.5042 7.5042 7.6895 7.6895 13.3167 13.3167 14.4470 14.4470 14.4969 14.4969 17.1558 17.1558 k = 0.0931 0.2389-0.0000 ( 331 PWs) bands (ev): -4.2404 -4.2404 6.9786 6.9786 7.5573 7.5573 7.7427 7.7427 13.3796 13.3796 14.1725 14.1725 14.2235 14.2235 16.9684 16.9684 k = 0.0974 0.2498-0.0000 ( 339 PWs) bands (ev): -4.1737 -4.1737 7.0407 7.0407 7.6120 7.6120 7.7976 7.7976 13.4332 13.4332 13.9023 13.9023 13.9539 13.9539 16.7816 16.7816 k = 0.1016 0.2607-0.0000 ( 339 PWs) bands (ev): -4.1041 -4.1041 7.1061 7.1061 7.6685 7.6685 7.8543 7.8543 13.5024 13.5024 13.6334 13.6334 13.6861 13.6861 16.5899 16.5899 k = 0.1058 0.2715-0.0000 ( 339 PWs) bands (ev): -4.0315 -4.0315 7.1742 7.1742 7.7265 7.7265 7.9125 7.9125 13.3661 13.3661 13.4199 13.4199 13.5745 13.5745 16.3938 16.3938 k = 0.1101 0.2824-0.0000 ( 339 PWs) bands (ev): -3.9559 -3.9559 7.2451 7.2451 7.7858 7.7858 7.9720 7.9720 13.1004 13.1004 13.1555 13.1555 13.6495 13.6495 16.1946 16.1946 k = 0.1143 0.2933-0.0000 ( 335 PWs) bands (ev): -3.8773 -3.8773 7.3189 7.3189 7.8464 7.8464 8.0327 8.0327 12.8372 12.8372 12.8936 12.8936 13.7275 13.7275 15.9951 15.9951 k = 0.1185 0.3041-0.0000 ( 335 PWs) bands (ev): -3.7959 -3.7959 7.3951 7.3951 7.9078 7.9078 8.0942 8.0942 12.5754 12.5754 12.6331 12.6331 13.8084 13.8084 15.7932 15.7932 k = 0.1228 0.3150-0.0000 ( 335 PWs) bands (ev): -3.7115 -3.7115 7.4740 7.4740 7.9698 7.9698 8.1564 8.1564 12.3158 12.3158 12.3749 12.3749 13.8923 13.8923 15.5914 15.5914 k = 0.1270 0.3258-0.0000 ( 335 PWs) bands (ev): -3.6243 -3.6243 7.5554 7.5554 8.0323 8.0323 8.2189 8.2189 12.0586 12.0586 12.1189 12.1189 13.9791 13.9791 15.3908 15.3908 k = 0.1312 0.3367-0.0000 ( 335 PWs) bands (ev): -3.5341 -3.5341 7.6393 7.6393 8.0947 8.0947 8.2813 8.2813 11.8039 11.8039 11.8653 11.8653 14.0688 14.0688 15.1922 15.1922 k = 0.1355 0.3476-0.0000 ( 335 PWs) bands (ev): -3.4410 -3.4410 7.7256 7.7256 8.1569 8.1569 8.3433 8.3433 11.5519 11.5519 11.6141 11.6141 14.1615 14.1615 14.9966 14.9966 k = 0.1397 0.3584-0.0000 ( 335 PWs) bands (ev): -3.3449 -3.3449 7.8143 7.8143 8.2183 8.2183 8.4045 8.4045 11.3028 11.3028 11.3655 11.3655 14.2571 14.2571 14.8047 14.8047 k = 0.1439 0.3693-0.0000 ( 327 PWs) bands (ev): -3.2458 -3.2458 7.9050 7.9050 8.2788 8.2788 8.4645 8.4645 11.0575 11.0575 11.1196 11.1196 14.3556 14.3556 14.6190 14.6190 k = 0.1482 0.3801-0.0000 ( 327 PWs) bands (ev): -3.1440 -3.1440 7.9976 7.9976 8.3372 8.3372 8.5223 8.5223 10.8151 10.8151 10.8763 10.8763 14.4375 14.4375 14.4570 14.4570 k = 0.1524 0.3910-0.0000 ( 327 PWs) bands (ev): -3.0393 -3.0393 8.0916 8.0916 8.3932 8.3932 8.5774 8.5774 10.5767 10.5767 10.6357 10.6357 14.2625 14.2625 14.3530 14.3530 k = 0.1566 0.4019-0.0000 ( 327 PWs) bands (ev): -2.9318 -2.9318 8.1863 8.1863 8.4460 8.4460 8.6291 8.6291 10.3431 10.3431 10.3980 10.3980 14.0950 14.0950 14.1823 14.1823 k = 0.1609 0.4127-0.0000 ( 327 PWs) bands (ev): -2.8214 -2.8214 8.2806 8.2806 8.4948 8.4948 8.6764 8.6764 10.1155 10.1155 10.1632 10.1632 13.9361 13.9361 14.0200 14.0200 k = 0.1651 0.4236-0.0000 ( 327 PWs) bands (ev): -2.7082 -2.7082 8.3727 8.3727 8.5384 8.5384 8.7186 8.7186 9.8961 9.8961 9.9313 9.9313 13.7868 13.7868 13.8671 13.8671 k = 0.1693 0.4344-0.0000 ( 335 PWs) bands (ev): -2.5922 -2.5922 8.4589 8.4589 8.5747 8.5747 8.7537 8.7537 9.6887 9.6887 9.7026 9.7026 13.6461 13.6461 13.7223 13.7223 k = 0.1736 0.4453-0.0000 ( 335 PWs) bands (ev): -2.4734 -2.4734 8.5334 8.5334 8.6007 8.6007 8.7819 8.7819 9.4770 9.4770 9.5034 9.5034 13.5198 13.5198 13.5915 13.5915 k = 0.1778 0.4562-0.0000 ( 335 PWs) bands (ev): -2.3518 -2.3518 8.5844 8.5844 8.6080 8.6080 8.8013 8.8013 9.2551 9.2551 9.3582 9.3582 13.4068 13.4068 13.4735 13.4735 k = 0.1820 0.4670-0.0000 ( 335 PWs) bands (ev): -2.2275 -2.2275 8.5532 8.5532 8.6265 8.6265 8.8091 8.8091 9.0382 9.0382 9.2809 9.2809 13.3082 13.3082 13.3693 13.3693 k = 0.1863 0.4779-0.0000 ( 327 PWs) bands (ev): -2.1004 -2.1004 8.4445 8.4445 8.6399 8.6399 8.7789 8.7789 8.8523 8.8523 9.2831 9.2831 13.2287 13.2287 13.2836 13.2836 k = 0.1905 0.4888-0.0000 ( 328 PWs) bands (ev): -1.9708 -1.9708 8.2874 8.2874 8.5953 8.5953 8.6390 8.6390 8.8112 8.8112 9.3424 9.3424 13.1620 13.1620 13.2099 13.2099 k = 0.1947 0.4996-0.0000 ( 328 PWs) bands (ev): -1.8385 -1.8385 8.1060 8.1060 8.3882 8.3882 8.6251 8.6251 8.7856 8.7856 9.4336 9.4336 13.1124 13.1124 13.1527 13.1527 k = 0.1990 0.5105-0.0000 ( 328 PWs) bands (ev): -1.7035 -1.7035 7.9137 7.9137 8.1825 8.1825 8.5987 8.5987 8.7496 8.7496 9.5425 9.5425 13.0802 13.0802 13.1124 13.1124 k = 0.2032 0.5213-0.0000 ( 320 PWs) bands (ev): -1.5652 -1.5652 7.7168 7.7168 7.9799 7.9799 8.5604 8.5604 8.7023 8.7023 9.6626 9.6626 13.0670 13.0670 13.0905 13.0905 k = 0.2074 0.5322-0.0000 ( 320 PWs) bands (ev): -1.4252 -1.4252 7.5183 7.5183 7.7804 7.7804 8.5099 8.5099 8.6429 8.6429 9.7898 9.7898 13.0697 13.0697 13.0844 13.0844 k = 0.2117 0.5431-0.0000 ( 320 PWs) bands (ev): -1.2828 -1.2828 7.3199 7.3199 7.5843 7.5843 8.4480 8.4480 8.5723 8.5723 9.9230 9.9230 13.0891 13.0891 13.0950 13.0950 k = 0.2159 0.5539-0.0000 ( 320 PWs) bands (ev): -1.1380 -1.1380 7.1226 7.1226 7.3919 7.3919 8.3754 8.3754 8.4911 8.4911 10.0609 10.0609 13.1217 13.1217 13.1245 13.1245 k = 0.2201 0.5648-0.0000 ( 320 PWs) bands (ev): -0.9910 -0.9910 6.9269 6.9269 7.2032 7.2032 8.2928 8.2928 8.4003 8.4003 10.2031 10.2031 13.1637 13.1637 13.1751 13.1751 k = 0.2244 0.5756-0.0000 ( 320 PWs) bands (ev): -0.8418 -0.8418 6.7333 6.7333 7.0184 7.0184 8.2013 8.2013 8.3009 8.3009 10.3492 10.3492 13.2201 13.2201 13.2396 13.2396 k = 0.2286 0.5865-0.0000 ( 320 PWs) bands (ev): -0.6906 -0.6906 6.5419 6.5419 6.8376 6.8376 8.1019 8.1019 8.1941 8.1941 10.4989 10.4989 13.2899 13.2899 13.3172 13.3172 k = 0.2328 0.5974-0.0000 ( 324 PWs) bands (ev): -0.5375 -0.5375 6.3523 6.3523 6.6610 6.6610 7.9955 7.9955 8.0807 8.0807 10.6518 10.6518 13.3713 13.3713 13.4059 13.4059 k = 0.2371 0.6082-0.0000 ( 324 PWs) bands (ev): -0.3827 -0.3827 6.1660 6.1660 6.4887 6.4887 7.8831 7.8831 7.9620 7.9620 10.8083 10.8083 13.4650 13.4650 13.5063 13.5063 k = 0.2413 0.6191-0.0000 ( 324 PWs) bands (ev): -0.2265 -0.2265 5.9824 5.9824 6.3210 6.3210 7.7658 7.7658 7.8388 7.8388 10.9679 10.9679 13.5692 13.5692 13.6168 13.6168 k = 0.2455 0.6300-0.0000 ( 324 PWs) bands (ev): -0.0689 -0.0689 5.8015 5.8015 6.1581 6.1581 7.6443 7.6443 7.7119 7.7119 11.1307 11.1307 13.6830 13.6830 13.7364 13.7364 k = 0.2498 0.6408-0.0000 ( 324 PWs) bands (ev): 0.0895 0.0895 5.6234 5.6234 6.0004 6.0004 7.5195 7.5195 7.5822 7.5822 11.2965 11.2965 13.8057 13.8057 13.8644 13.8644 k = 0.2540 0.6517-0.0000 ( 324 PWs) bands (ev): 0.2486 0.2486 5.4482 5.4482 5.8481 5.8481 7.3921 7.3921 7.4502 7.4502 11.4654 11.4654 13.9366 13.9366 14.0001 14.0001 k = 0.2582 0.6625-0.0000 ( 324 PWs) bands (ev): 0.4078 0.4078 5.2757 5.2757 5.7018 5.7018 7.2626 7.2626 7.3167 7.3167 11.6372 11.6372 14.0749 14.0749 14.1430 14.1430 k = 0.2625 0.6734-0.0000 ( 324 PWs) bands (ev): 0.5667 0.5667 5.1062 5.1062 5.5620 5.5620 7.1318 7.1318 7.1821 7.1821 11.8119 11.8119 14.2202 14.2202 14.2924 14.2924 k = 0.2667 0.6843-0.0000 ( 328 PWs) bands (ev): 0.7243 0.7243 4.9395 4.9395 5.4285 5.4285 6.9997 6.9997 7.0466 7.0466 11.9895 11.9895 14.3694 14.3694 14.4453 14.4453 k = 0.2709 0.6951-0.0000 ( 328 PWs) bands (ev): 0.8802 0.8802 4.7758 4.7758 5.3038 5.3038 6.8673 6.8673 6.9112 6.9112 12.1699 12.1699 14.5272 14.5272 14.6065 14.6065 k = 0.2752 0.7060-0.0000 ( 328 PWs) bands (ev): 1.0332 1.0332 4.6150 4.6150 5.1880 5.1880 6.7349 6.7349 6.7760 6.7760 12.3531 12.3531 14.6904 14.6904 14.7730 14.7730 k = 0.2794 0.7168-0.0000 ( 332 PWs) bands (ev): 1.1815 1.1815 4.4571 4.4571 5.0824 5.0824 6.6023 6.6023 6.6409 6.6409 12.5392 12.5392 14.8589 14.8589 14.9444 14.9444 k = 0.2836 0.7277-0.0000 ( 332 PWs) bands (ev): 1.3248 1.3248 4.3022 4.3022 4.9885 4.9885 6.4706 6.4706 6.5069 6.5069 12.7279 12.7279 15.0323 15.0323 15.1206 15.1206 k = 0.2879 0.7386-0.0000 ( 332 PWs) bands (ev): 1.4607 1.4607 4.1502 4.1502 4.9080 4.9080 6.3396 6.3396 6.3739 6.3739 12.9194 12.9194 15.2103 15.2103 15.3012 15.3012 k = 0.2921 0.7494-0.0000 ( 328 PWs) bands (ev): 1.5881 1.5881 4.0013 4.0013 4.8433 4.8433 6.2097 6.2097 6.2421 6.2421 13.1135 13.1135 15.3931 15.3931 15.4864 15.4864 k = 0.2963 0.7603-0.0000 ( 328 PWs) bands (ev): 1.7028 1.7028 3.8553 3.8553 4.7963 4.7963 6.0809 6.0809 6.1117 6.1117 13.3102 13.3102 15.5796 15.5796 15.6751 15.6751 k = 0.3006 0.7711-0.0000 ( 328 PWs) bands (ev): 1.8032 1.8032 3.7122 3.7122 4.7695 4.7695 5.9535 5.9535 5.9829 5.9829 13.5095 13.5095 15.7699 15.7699 15.8675 15.8675 k = 0.3048 0.7820-0.0000 ( 328 PWs) bands (ev): 1.8871 1.8871 3.5722 3.5722 4.7652 4.7652 5.8277 5.8277 5.8559 5.8559 13.7112 13.7112 15.9640 15.9640 16.0636 16.0636 k = 0.3090 0.7929-0.0000 ( 328 PWs) bands (ev): 1.9526 1.9526 3.4351 3.4351 4.7851 4.7851 5.7035 5.7035 5.7309 5.7309 13.9154 13.9154 16.1614 16.1614 16.2629 16.2629 k = 0.3133 0.8037-0.0000 ( 328 PWs) bands (ev): 1.9987 1.9987 3.3011 3.3011 4.8301 4.8301 5.5812 5.5812 5.6081 5.6081 14.1220 14.1220 16.3622 16.3622 16.4655 16.4655 k = 0.3175 0.8146-0.0000 ( 328 PWs) bands (ev): 2.0255 2.0255 3.1700 3.1700 4.8998 4.8998 5.4607 5.4607 5.4881 5.4881 14.3308 14.3308 16.5661 16.5661 16.6711 16.6711 k = 0.3217 0.8255-0.0000 ( 328 PWs) bands (ev): 2.0339 2.0339 3.0419 3.0419 4.9918 4.9918 5.3423 5.3423 5.3723 5.3723 14.5419 14.5419 16.7728 16.7728 16.8796 16.8796 k = 0.3260 0.8363-0.0000 ( 340 PWs) bands (ev): 2.0254 2.0254 2.9163 2.9163 5.0945 5.0945 5.2243 5.2243 5.2688 5.2688 14.7549 14.7549 16.9758 16.9758 17.0840 17.0840 k = 0.3260 0.8363-0.0000 ( 340 PWs) bands (ev): 2.0254 2.0254 2.9163 2.9163 5.0945 5.0945 5.2243 5.2243 5.2688 5.2688 14.7549 14.7549 16.9758 16.9758 17.0840 17.0840 k = 0.3244 0.8323 0.0110 ( 330 PWs) bands (ev): 2.0283 2.0283 2.9560 2.9560 5.0377 5.0377 5.2806 5.2806 5.3257 5.3257 14.6648 14.6648 16.9103 16.9103 17.0188 17.0188 k = 0.3229 0.8284 0.0219 ( 330 PWs) bands (ev): 2.0251 2.0251 2.9837 2.9837 4.9637 4.9637 5.3517 5.3517 5.4142 5.4142 14.5515 14.5515 16.8421 16.8421 16.9531 16.9531 k = 0.3213 0.8244 0.0329 ( 330 PWs) bands (ev): 2.0169 2.0169 3.0006 3.0006 4.8877 4.8877 5.4372 5.4372 5.5203 5.5203 14.4166 14.4166 16.7782 16.7782 16.8963 16.8963 k = 0.3198 0.8204 0.0438 ( 330 PWs) bands (ev): 2.0045 2.0045 3.0078 3.0078 4.8129 4.8129 5.5371 5.5371 5.6389 5.6389 14.2623 14.2623 16.7168 16.7168 16.8484 16.8484 k = 0.3182 0.8164 0.0548 ( 330 PWs) bands (ev): 1.9888 1.9888 3.0067 3.0067 4.7402 4.7402 5.6504 5.6504 5.7677 5.7677 14.0911 14.0911 16.6571 16.6571 16.8087 16.8087 k = 0.3167 0.8125 0.0657 ( 330 PWs) bands (ev): 1.9703 1.9703 2.9985 2.9985 4.6702 4.6702 5.7756 5.7756 5.9055 5.9055 13.9055 13.9055 16.5990 16.5990 16.7755 16.7755 k = 0.3151 0.8085 0.0767 ( 330 PWs) bands (ev): 1.9498 1.9498 2.9848 2.9848 4.6030 4.6030 5.9113 5.9113 6.0514 6.0514 13.7082 13.7082 16.5427 16.5427 16.7472 16.7472 k = 0.3136 0.8045 0.0876 ( 328 PWs) bands (ev): 1.9281 1.9281 2.9667 2.9667 4.5387 4.5387 6.0564 6.0564 6.2051 6.2051 13.5014 13.5014 16.4896 16.4896 16.7234 16.7234 k = 0.3120 0.8005 0.0986 ( 328 PWs) bands (ev): 1.9053 1.9053 2.9454 2.9454 4.4774 4.4774 6.2090 6.2090 6.3649 6.3649 13.2871 13.2871 16.4378 16.4378 16.7003 16.7003 k = 0.3105 0.7965 0.1095 ( 326 PWs) bands (ev): 1.8820 1.8820 2.9218 2.9218 4.4191 4.4191 6.3685 6.3685 6.5312 6.5312 13.0673 13.0673 16.3886 16.3886 16.6790 16.6790 k = 0.3089 0.7926 0.1205 ( 326 PWs) bands (ev): 1.8588 1.8588 2.8966 2.8966 4.3637 4.3637 6.5333 6.5333 6.7028 6.7028 12.8436 12.8436 16.3421 16.3421 16.6578 16.6578 k = 0.3074 0.7886 0.1314 ( 324 PWs) bands (ev): 1.8359 1.8359 2.8708 2.8708 4.3115 4.3115 6.7027 6.7027 6.8796 6.8796 12.6176 12.6176 16.2984 16.2984 16.6370 16.6370 k = 0.3058 0.7846 0.1424 ( 326 PWs) bands (ev): 1.8136 1.8136 2.8444 2.8444 4.2622 4.2622 6.8752 6.8752 7.0612 7.0612 12.3907 12.3907 16.2575 16.2575 16.6158 16.6158 k = 0.3043 0.7806 0.1533 ( 326 PWs) bands (ev): 1.7922 1.7922 2.8183 2.8183 4.2161 4.2161 7.0499 7.0499 7.2474 7.2474 12.1646 12.1646 16.2196 16.2196 16.5950 16.5950 k = 0.3027 0.7767 0.1643 ( 326 PWs) bands (ev): 1.7721 1.7721 2.7926 2.7926 4.1729 4.1729 7.2255 7.2255 7.4378 7.4378 11.9409 11.9409 16.1847 16.1847 16.5742 16.5742 k = 0.3012 0.7727 0.1752 ( 326 PWs) bands (ev): 1.7533 1.7533 2.7678 2.7678 4.1329 4.1329 7.4002 7.4002 7.6322 7.6322 11.7214 11.7214 16.1527 16.1527 16.5535 16.5535 k = 0.2996 0.7687 0.1862 ( 326 PWs) bands (ev): 1.7360 1.7360 2.7440 2.7440 4.0959 4.0959 7.5721 7.5721 7.8310 7.8310 11.5078 11.5078 16.1234 16.1234 16.5323 16.5323 k = 0.2981 0.7647 0.1971 ( 326 PWs) bands (ev): 1.7204 1.7204 2.7215 2.7215 4.0621 4.0621 7.7385 7.7385 8.0326 8.0326 11.3043 11.3043 16.0974 16.0974 16.5118 16.5118 k = 0.2965 0.7608 0.2081 ( 326 PWs) bands (ev): 1.7067 1.7067 2.7005 2.7005 4.0313 4.0313 7.8955 7.8955 8.2374 8.2374 11.1143 11.1143 16.0745 16.0745 16.4915 16.4915 k = 0.2950 0.7568 0.2190 ( 326 PWs) bands (ev): 1.6948 1.6948 2.6811 2.6811 4.0033 4.0033 8.0383 8.0383 8.4454 8.4454 10.9428 10.9428 16.0543 16.0543 16.4714 16.4714 k = 0.2934 0.7528 0.2300 ( 326 PWs) bands (ev): 1.6850 1.6850 2.6633 2.6633 3.9787 3.9787 8.1596 8.1596 8.6561 8.6561 10.7972 10.7972 16.0373 16.0373 16.4516 16.4516 k = 0.2919 0.7488 0.2409 ( 330 PWs) bands (ev): 1.6772 1.6772 2.6473 2.6473 3.9571 3.9571 8.2509 8.2509 8.8691 8.8691 10.6852 10.6852 16.0215 16.0215 16.4320 16.4320 k = 0.2903 0.7448 0.2519 ( 330 PWs) bands (ev): 1.6718 1.6718 2.6332 2.6332 3.9386 3.9386 8.3032 8.3032 9.0849 9.0849 10.6178 10.6178 16.0103 16.0103 16.4127 16.4127 k = 0.2888 0.7409 0.2628 ( 328 PWs) bands (ev): 1.6687 1.6687 2.6210 2.6210 3.9232 3.9232 8.3094 8.3094 9.3030 9.3030 10.6016 10.6016 16.0019 16.0019 16.3937 16.3937 k = 0.2872 0.7369 0.2738 ( 328 PWs) bands (ev): 1.6679 1.6679 2.6106 2.6106 3.9109 3.9109 8.2675 8.2675 9.5232 9.5232 10.6380 10.6380 15.9963 15.9963 16.3747 16.3747 k = 0.2857 0.7329 0.2847 ( 328 PWs) bands (ev): 1.6695 1.6695 2.6022 2.6022 3.9016 3.9016 8.1820 8.1820 9.7452 9.7452 10.7229 10.7229 15.9934 15.9934 16.3556 16.3556 k = 0.2841 0.7289 0.2957 ( 326 PWs) bands (ev): 1.6738 1.6738 2.5956 2.5956 3.8956 3.8956 8.0613 8.0613 9.9691 9.9691 10.8489 10.8489 15.9931 15.9931 16.3381 16.3381 k = 0.2826 0.7250 0.3066 ( 326 PWs) bands (ev): 1.6804 1.6804 2.5909 2.5909 3.8925 3.8925 7.9144 7.9144 10.1941 10.1941 11.0052 11.0052 15.9950 15.9950 16.3182 16.3182 k = 0.2810 0.7210 0.3176 ( 326 PWs) bands (ev): 1.6894 1.6894 2.5880 2.5880 3.8924 3.8924 7.7489 7.7489 10.4202 10.4202 11.1849 11.1849 15.9991 15.9991 16.2975 16.2975 k = 0.2795 0.7170 0.3286 ( 326 PWs) bands (ev): 1.7011 1.7011 2.5869 2.5869 3.8955 3.8955 7.5709 7.5709 10.6471 10.6471 11.3823 11.3823 16.0049 16.0049 16.2757 16.2757 k = 0.2779 0.7130 0.3395 ( 326 PWs) bands (ev): 1.7154 1.7154 2.5874 2.5874 3.9015 3.9015 7.3846 7.3846 10.8746 10.8746 11.5928 11.5928 16.0122 16.0122 16.2524 16.2524 k = 0.2764 0.7090 0.3505 ( 326 PWs) bands (ev): 1.7323 1.7323 2.5895 2.5895 3.9106 3.9106 7.1932 7.1932 11.1023 11.1023 11.8134 11.8134 16.0203 16.0203 16.2273 16.2273 k = 0.2748 0.7051 0.3614 ( 328 PWs) bands (ev): 1.7518 1.7518 2.5929 2.5929 3.9228 3.9228 6.9984 6.9984 11.3298 11.3298 12.0413 12.0413 16.0278 16.0278 16.1986 16.1986 k = 0.2733 0.7011 0.3724 ( 328 PWs) bands (ev): 1.7740 1.7740 2.5976 2.5976 3.9380 3.9380 6.8032 6.8032 11.5569 11.5569 12.2754 12.2754 16.0334 16.0334 16.1701 16.1701 k = 0.2717 0.6971 0.3833 ( 328 PWs) bands (ev): 1.7989 1.7989 2.6033 2.6033 3.9563 3.9563 6.6083 6.6083 11.7831 11.7831 12.5138 12.5138 16.0327 16.0327 16.1426 16.1426 k = 0.2702 0.6931 0.3943 ( 330 PWs) bands (ev): 1.8266 1.8266 2.6096 2.6096 3.9775 3.9775 6.4149 6.4149 12.0077 12.0077 12.7551 12.7551 16.0179 16.0179 16.1216 16.1216 k = 0.2686 0.6892 0.4052 ( 327 PWs) bands (ev): 1.8570 1.8570 2.6165 2.6165 4.0018 4.0018 6.2241 6.2241 12.2309 12.2309 12.9985 12.9985 15.9838 15.9838 16.1118 16.1118 k = 0.2671 0.6852 0.4162 ( 327 PWs) bands (ev): 1.8901 1.8901 2.6231 2.6231 4.0291 4.0291 6.0367 6.0367 12.4514 12.4514 13.2422 13.2422 15.9320 15.9320 16.1076 16.1076 k = 0.2655 0.6812 0.4271 ( 329 PWs) bands (ev): 1.9255 1.9255 2.6291 2.6291 4.0593 4.0593 5.8535 5.8535 12.6690 12.6690 13.4848 13.4848 15.8669 15.8669 16.1032 16.1032 k = 0.2640 0.6772 0.4381 ( 330 PWs) bands (ev): 1.9641 1.9641 2.6339 2.6339 4.0926 4.0926 5.6755 5.6755 12.8830 12.8830 13.7248 13.7248 15.7896 15.7896 16.0949 16.0949 k = 0.2624 0.6733 0.4490 ( 328 PWs) bands (ev): 2.0055 2.0055 2.6368 2.6368 4.1290 4.1290 5.5040 5.5040 13.0928 13.0928 13.9610 13.9610 15.7035 15.7035 16.0803 16.0803 k = 0.2609 0.6693 0.4600 ( 328 PWs) bands (ev): 2.0497 2.0497 2.6365 2.6365 4.1682 4.1682 5.3401 5.3401 13.2977 13.2977 14.1883 14.1883 15.6087 15.6087 16.0574 16.0574 k = 0.2593 0.6653 0.4709 ( 328 PWs) bands (ev): 2.0967 2.0967 2.6321 2.6321 4.2104 4.2104 5.1850 5.1850 13.4968 13.4968 14.4030 14.4030 15.5087 15.5087 16.0249 16.0249 k = 0.2578 0.6613 0.4819 ( 326 PWs) bands (ev): 2.1465 2.1465 2.6224 2.6224 4.2557 4.2557 5.0402 5.0402 13.6901 13.6901 14.5967 14.5967 15.4107 15.4107 15.9820 15.9820 k = 0.2562 0.6573 0.4928 ( 326 PWs) bands (ev): 2.1991 2.1991 2.6056 2.6056 4.3037 4.3037 4.9074 4.9074 13.8752 13.8752 14.7494 14.7494 15.3315 15.3315 15.9286 15.9286 k = 0.2547 0.6534 0.5038 ( 324 PWs) bands (ev): 2.2545 2.2545 2.5804 2.5804 4.3546 4.3546 4.7882 4.7882 14.0516 14.0516 14.8211 14.8211 15.3101 15.3101 15.8656 15.8656 k = 0.2531 0.6494 0.5147 ( 326 PWs) bands (ev): 2.3124 2.3124 2.5448 2.5448 4.4082 4.4082 4.6843 4.6843 14.2168 14.2168 14.7867 14.7867 15.3669 15.3669 15.7959 15.7959 k = 0.2516 0.6454 0.5257 ( 324 PWs) bands (ev): 2.3729 2.3729 2.4986 2.4986 4.4642 4.4642 4.5977 4.5977 14.3647 14.3647 14.6949 14.6949 15.4506 15.4506 15.7283 15.7283 k = 0.2500 0.6414 0.5366 ( 324 PWs) bands (ev): 2.4251 2.4251 2.4512 2.4512 4.5099 4.5099 4.5416 4.5416 14.4497 14.4497 14.6242 14.6242 15.4934 15.4934 15.6937 15.6937 k = 0.2500 0.6414 0.5366 ( 324 PWs) bands (ev): 2.4251 2.4251 2.4512 2.4512 4.5099 4.5099 4.5416 4.5416 14.4497 14.4497 14.6242 14.6242 15.4934 15.4934 15.6937 15.6937 k = 0.2424 0.6444 0.5285 ( 324 PWs) bands (ev): 2.3678 2.3678 2.5072 2.5072 4.4630 4.4630 4.5951 4.5951 14.3594 14.3594 14.7014 14.7014 15.4495 15.4495 15.7289 15.7289 k = 0.2348 0.6473 0.5204 ( 326 PWs) bands (ev): 2.2986 2.2986 2.5719 2.5719 4.4108 4.4108 4.6673 4.6673 14.2041 14.2041 14.8176 14.8176 15.3621 15.3621 15.7868 15.7868 k = 0.2273 0.6503 0.5122 ( 326 PWs) bands (ev): 2.2290 2.2290 2.6338 2.6338 4.3666 4.3666 4.7453 4.7453 14.0290 14.0290 14.9289 14.9289 15.2666 15.2666 15.8262 15.8262 k = 0.2197 0.6532 0.5041 ( 326 PWs) bands (ev): 2.1598 2.1598 2.6912 2.6912 4.3322 4.3322 4.8280 4.8280 13.8405 13.8405 15.0277 15.0277 15.1764 15.1764 15.8312 15.8312 k = 0.2121 0.6562 0.4960 ( 328 PWs) bands (ev): 2.0915 2.0915 2.7425 2.7425 4.3091 4.3091 4.9149 4.9149 13.6411 13.6411 15.0535 15.0535 15.1537 15.1537 15.7946 15.7946 k = 0.2045 0.6592 0.4878 ( 328 PWs) bands (ev): 2.0243 2.0243 2.7867 2.7867 4.2987 4.2987 5.0055 5.0055 13.4336 13.4336 14.9775 14.9775 15.2307 15.2307 15.7177 15.7177 k = 0.1970 0.6621 0.4797 ( 328 PWs) bands (ev): 1.9585 1.9585 2.8224 2.8224 4.3023 4.3023 5.0995 5.0995 13.2194 13.2194 14.8960 14.8960 15.3088 15.3088 15.6081 15.6081 k = 0.1894 0.6651 0.4716 ( 326 PWs) bands (ev): 1.8947 1.8947 2.8489 2.8489 4.3206 4.3206 5.1966 5.1966 13.0003 13.0003 14.8175 14.8175 15.3634 15.3634 15.4902 15.4902 k = 0.1818 0.6680 0.4635 ( 326 PWs) bands (ev): 1.8325 1.8325 2.8659 2.8659 4.3539 4.3539 5.2963 5.2963 12.7774 12.7774 14.7426 14.7426 15.2776 15.2776 15.4880 15.4880 k = 0.1742 0.6710 0.4553 ( 326 PWs) bands (ev): 1.7722 1.7722 2.8736 2.8736 4.4018 4.4018 5.3985 5.3985 12.5519 12.5519 14.6708 14.6708 15.1121 15.1121 15.5474 15.5474 k = 0.1667 0.6739 0.4472 ( 328 PWs) bands (ev): 1.7139 1.7139 2.8731 2.8731 4.4633 4.4633 5.5029 5.5029 12.3240 12.3240 14.6011 14.6011 14.9327 14.9327 15.6081 15.6081 k = 0.1591 0.6769 0.4391 ( 330 PWs) bands (ev): 1.6579 1.6579 2.8655 2.8655 4.5376 4.5376 5.6091 5.6091 12.0961 12.0961 14.5303 14.5303 14.7507 14.7507 15.6643 15.6643 k = 0.1515 0.6798 0.4309 ( 330 PWs) bands (ev): 1.6042 1.6042 2.8522 2.8522 4.6232 4.6232 5.7170 5.7170 11.8678 11.8678 14.4450 14.4450 14.5831 14.5831 15.7174 15.7174 k = 0.1439 0.6828 0.4228 ( 328 PWs) bands (ev): 1.5529 1.5529 2.8344 2.8344 4.7188 4.7188 5.8265 5.8265 11.6398 11.6398 14.3077 14.3077 14.4706 14.4706 15.7662 15.7662 k = 0.1364 0.6857 0.4147 ( 328 PWs) bands (ev): 1.5039 1.5039 2.8135 2.8135 4.8231 4.8231 5.9366 5.9366 11.4127 11.4127 14.1293 14.1293 14.4016 14.4016 15.8096 15.8096 k = 0.1288 0.6887 0.4065 ( 328 PWs) bands (ev): 1.4575 1.4575 2.7903 2.7903 4.9351 4.9351 6.0475 6.0475 11.1864 11.1864 13.9417 13.9417 14.3460 14.3460 15.8492 15.8492 k = 0.1212 0.6916 0.3984 ( 328 PWs) bands (ev): 1.4135 1.4135 2.7658 2.7658 5.0538 5.0538 6.1586 6.1586 10.9614 10.9614 13.7536 13.7536 14.2964 14.2964 15.8845 15.8845 k = 0.1136 0.6946 0.3903 ( 326 PWs) bands (ev): 1.3721 1.3721 2.7409 2.7409 5.1788 5.1788 6.2696 6.2696 10.7381 10.7381 13.5681 13.5681 14.2510 14.2510 15.9156 15.9156 k = 0.1061 0.6975 0.3821 ( 326 PWs) bands (ev): 1.3327 1.3327 2.7155 2.7155 5.3091 5.3091 6.3800 6.3800 10.5166 10.5166 13.3871 13.3871 14.2093 14.2093 15.9432 15.9432 k = 0.0985 0.7005 0.3740 ( 326 PWs) bands (ev): 1.2965 1.2965 2.6909 2.6909 5.4443 5.4443 6.4890 6.4890 10.2971 10.2971 13.2103 13.2103 14.1706 14.1706 15.9666 15.9666 k = 0.0909 0.7034 0.3659 ( 326 PWs) bands (ev): 1.2628 1.2628 2.6671 2.6671 5.5840 5.5840 6.5962 6.5962 10.0799 10.0799 13.0397 13.0397 14.1350 14.1350 15.9867 15.9867 k = 0.0833 0.7064 0.3578 ( 326 PWs) bands (ev): 1.2318 1.2318 2.6444 2.6444 5.7279 5.7279 6.7008 6.7008 9.8652 9.8652 12.8760 12.8760 14.1023 14.1023 16.0037 16.0037 k = 0.0758 0.7094 0.3496 ( 324 PWs) bands (ev): 1.2035 1.2035 2.6232 2.6232 5.8760 5.8760 6.8023 6.8023 9.6533 9.6533 12.7211 12.7211 14.0726 14.0726 16.0180 16.0180 k = 0.0682 0.7123 0.3415 ( 324 PWs) bands (ev): 1.1778 1.1778 2.6034 2.6034 6.0270 6.0270 6.8992 6.8992 9.4443 9.4443 12.5747 12.5747 14.0458 14.0458 16.0299 16.0299 k = 0.0606 0.7153 0.3334 ( 324 PWs) bands (ev): 1.1548 1.1548 2.5854 2.5854 6.1810 6.1810 6.9908 6.9908 9.2385 9.2385 12.4385 12.4385 14.0218 14.0218 16.0397 16.0397 k = 0.0530 0.7182 0.3252 ( 324 PWs) bands (ev): 1.1344 1.1344 2.5693 2.5693 6.3376 6.3376 7.0758 7.0758 9.0365 9.0365 12.3139 12.3139 14.0006 14.0006 16.0477 16.0477 k = 0.0455 0.7212 0.3171 ( 324 PWs) bands (ev): 1.1168 1.1168 2.5551 2.5551 6.4961 6.4961 7.1532 7.1532 8.8388 8.8388 12.2020 12.2020 13.9823 13.9823 16.0541 16.0541 k = 0.0379 0.7241 0.3090 ( 324 PWs) bands (ev): 1.1019 1.1019 2.5430 2.5430 6.6554 6.6554 7.2214 7.2214 8.6465 8.6465 12.1043 12.1043 13.9669 13.9669 16.0591 16.0591 k = 0.0303 0.7271 0.3008 ( 322 PWs) bands (ev): 1.0896 1.0896 2.5330 2.5330 6.8139 6.8139 7.2795 7.2795 8.4614 8.4614 12.0248 12.0248 13.9544 13.9544 16.0633 16.0633 k = 0.0227 0.7300 0.2927 ( 322 PWs) bands (ev): 1.0801 1.0801 2.5252 2.5252 6.9680 6.9680 7.3254 7.3254 8.2871 8.2871 11.9592 11.9592 13.9446 13.9446 16.0662 16.0662 k = 0.0152 0.7330 0.2846 ( 322 PWs) bands (ev): 1.0733 1.0733 2.5196 2.5196 7.1108 7.1108 7.3577 7.3577 8.1314 8.1314 11.9120 11.9120 13.9376 13.9376 16.0684 16.0684 k = 0.0076 0.7359 0.2764 ( 322 PWs) bands (ev): 1.0693 1.0693 2.5162 2.5162 7.2253 7.2253 7.3742 7.3742 8.0124 8.0124 11.8830 11.8830 13.9334 13.9334 16.0695 16.0695 k = 0.0000 0.7389 0.2683 ( 324 PWs) bands (ev): 1.0679 1.0679 2.5151 2.5151 7.2747 7.2747 7.3766 7.3766 7.9646 7.9646 11.8732 11.8732 13.9319 13.9319 16.0685 16.0685 k = 0.0000 0.7389 0.2683 ( 324 PWs) bands (ev): 1.0679 1.0679 2.5151 2.5151 7.2747 7.2747 7.3766 7.3766 7.9646 7.9646 11.8732 11.8732 13.9319 13.9319 16.0685 16.0685 k =-0.0088 0.7362 0.2756 ( 323 PWs) bands (ev): 1.0691 1.0691 2.5164 2.5164 7.1630 7.1630 7.4897 7.4897 7.9596 7.9596 11.8818 11.8818 13.8897 13.8897 16.1107 16.1107 k =-0.0176 0.7336 0.2828 ( 321 PWs) bands (ev): 1.0728 1.0728 2.5203 2.5203 7.0145 7.0145 7.6405 7.6405 7.9461 7.9461 11.9075 11.9075 13.7722 13.7722 16.2265 16.2265 k =-0.0264 0.7310 0.2901 ( 321 PWs) bands (ev): 1.0789 1.0789 2.5267 2.5267 6.8657 6.8657 7.7804 7.7804 7.9364 7.9364 11.9497 11.9497 13.5991 13.5991 16.3936 16.3936 k =-0.0352 0.7283 0.2973 ( 325 PWs) bands (ev): 1.0874 1.0874 2.5356 2.5356 6.7187 6.7187 7.8319 7.8319 8.0064 8.0064 12.0044 12.0044 13.3892 13.3892 16.5921 16.5921 k =-0.0440 0.7257 0.3046 ( 327 PWs) bands (ev): 1.0983 1.0983 2.5472 2.5472 6.5744 6.5744 7.7981 7.7981 8.1529 8.1529 12.0769 12.0769 13.1579 13.1579 16.8046 16.8046 k =-0.0529 0.7231 0.3118 ( 327 PWs) bands (ev): 1.1116 1.1116 2.5612 2.5612 6.4332 6.4332 7.7439 7.7439 8.3114 8.3114 12.1628 12.1628 12.9147 12.9147 17.0191 17.0191 k =-0.0617 0.7204 0.3191 ( 325 PWs) bands (ev): 1.1273 1.1273 2.5777 2.5777 6.2951 6.2951 7.6795 7.6795 8.4716 8.4716 12.2598 12.2598 12.6673 12.6673 17.2262 17.2262 k =-0.0705 0.7178 0.3263 ( 325 PWs) bands (ev): 1.1454 1.1454 2.5966 2.5966 6.1603 6.1603 7.6077 7.6077 8.6302 8.6302 12.3448 12.3448 12.4426 12.4426 17.4070 17.4070 k =-0.0793 0.7152 0.3336 ( 325 PWs) bands (ev): 1.1657 1.1657 2.6179 2.6179 6.0291 6.0291 7.5300 7.5300 8.7846 8.7846 12.1587 12.1587 12.5031 12.5031 17.5552 17.5552 k =-0.0881 0.7125 0.3408 ( 327 PWs) bands (ev): 1.1883 1.1883 2.6413 2.6413 5.9012 5.9012 7.4475 7.4475 8.9314 8.9314 11.9235 11.9235 12.6282 12.6282 17.6633 17.6633 k =-0.0969 0.7099 0.3481 ( 326 PWs) bands (ev): 1.2134 1.2134 2.6669 2.6669 5.7774 5.7774 7.3614 7.3614 9.0658 9.0658 11.7011 11.7011 12.7660 12.7660 17.7302 17.7302 k =-0.1057 0.7073 0.3553 ( 328 PWs) bands (ev): 1.2403 1.2403 2.6945 2.6945 5.6574 5.6574 7.2717 7.2717 9.1802 9.1802 11.5007 11.5007 12.9114 12.9114 17.7595 17.7595 k =-0.1145 0.7046 0.3626 ( 328 PWs) bands (ev): 1.2693 1.2693 2.7240 2.7240 5.5419 5.5419 7.1807 7.1807 9.2642 9.2642 11.3342 11.3342 13.0639 13.0639 17.7586 17.7586 k =-0.1233 0.7020 0.3698 ( 328 PWs) bands (ev): 1.3002 1.3002 2.7552 2.7552 5.4310 5.4310 7.0878 7.0878 9.3046 9.3046 11.2157 11.2157 13.2223 13.2223 17.7354 17.7354 k =-0.1321 0.6994 0.3771 ( 328 PWs) bands (ev): 1.3332 1.3332 2.7878 2.7878 5.3248 5.3248 6.9944 6.9944 9.2883 9.2883 11.1572 11.1572 13.3861 13.3861 17.6953 17.6953 k =-0.1410 0.6967 0.3843 ( 328 PWs) bands (ev): 1.3680 1.3680 2.8216 2.8216 5.2236 5.2236 6.9004 6.9004 9.2121 9.2121 11.1631 11.1631 13.5545 13.5545 17.6439 17.6439 k =-0.1498 0.6941 0.3916 ( 328 PWs) bands (ev): 1.4044 1.4044 2.8563 2.8563 5.1279 5.1279 6.8064 6.8064 9.0832 9.0832 11.2264 11.2264 13.7270 13.7270 17.5846 17.5846 k =-0.1586 0.6915 0.3988 ( 328 PWs) bands (ev): 1.4425 1.4425 2.8915 2.8915 5.0381 5.0381 6.7127 6.7127 8.9148 8.9148 11.3338 11.3338 13.9029 13.9029 17.5204 17.5204 k =-0.1674 0.6888 0.4061 ( 328 PWs) bands (ev): 1.4821 1.4821 2.9270 2.9270 4.9547 4.9547 6.6193 6.6193 8.7190 8.7190 11.4726 11.4726 14.0820 14.0820 17.4531 17.4531 k =-0.1762 0.6862 0.4134 ( 328 PWs) bands (ev): 1.5228 1.5228 2.9618 2.9618 4.8784 4.8784 6.5270 6.5270 8.5073 8.5073 11.6333 11.6333 14.2632 14.2632 17.3845 17.3845 k =-0.1850 0.6836 0.4206 ( 328 PWs) bands (ev): 1.5644 1.5644 2.9955 2.9955 4.8097 4.8097 6.4359 6.4359 8.2855 8.2855 11.8093 11.8093 14.4462 14.4462 17.3156 17.3156 k =-0.1938 0.6809 0.4279 ( 327 PWs) bands (ev): 1.6066 1.6066 3.0274 3.0274 4.7494 4.7494 6.3460 6.3460 8.0579 8.0579 11.9960 11.9960 14.6308 14.6308 17.2475 17.2475 k =-0.2026 0.6783 0.4351 ( 328 PWs) bands (ev): 1.6496 1.6496 3.0568 3.0568 4.6983 4.6983 6.2573 6.2573 7.8279 7.8279 12.1904 12.1904 14.8149 14.8149 17.1813 17.1813 k =-0.2114 0.6757 0.4424 ( 326 PWs) bands (ev): 1.6924 1.6924 3.0827 3.0827 4.6575 4.6575 6.1705 6.1705 7.5981 7.5981 12.3908 12.3908 15.0000 15.0000 17.1183 17.1183 k =-0.2202 0.6730 0.4496 ( 326 PWs) bands (ev): 1.7350 1.7350 3.1045 3.1045 4.6276 4.6276 6.0856 6.0856 7.3690 7.3690 12.5945 12.5945 15.1843 15.1843 17.0579 17.0579 k =-0.2290 0.6704 0.4569 ( 330 PWs) bands (ev): 1.7769 1.7769 3.1211 3.1211 4.6093 4.6093 6.0025 6.0025 7.1419 7.1419 12.8006 12.8006 15.3670 15.3670 17.0016 17.0016 k =-0.2379 0.6678 0.4641 ( 330 PWs) bands (ev): 1.8175 1.8175 3.1327 3.1327 4.6032 4.6032 5.9214 5.9214 6.9193 6.9193 13.0077 13.0077 15.5477 15.5477 16.9505 16.9505 k =-0.2467 0.6651 0.4714 ( 330 PWs) bands (ev): 1.8564 1.8564 3.1386 3.1386 4.6094 4.6094 5.8424 5.8424 6.7017 6.7017 13.2146 13.2146 15.7253 15.7253 16.9054 16.9054 k =-0.2555 0.6625 0.4786 ( 330 PWs) bands (ev): 1.8929 1.8929 3.1388 3.1388 4.6277 4.6277 5.7656 5.7656 6.4904 6.4904 13.4198 13.4198 15.8989 15.8989 16.8677 16.8677 k =-0.2643 0.6599 0.4859 ( 330 PWs) bands (ev): 1.9264 1.9264 3.1333 3.1333 4.6578 4.6578 5.6910 5.6910 6.2866 6.2866 13.6218 13.6218 16.0673 16.0673 16.8387 16.8387 k =-0.2731 0.6572 0.4931 ( 330 PWs) bands (ev): 1.9562 1.9562 3.1221 3.1221 4.6988 4.6988 5.6188 5.6188 6.0919 6.0919 13.8186 13.8186 16.2295 16.2295 16.8204 16.8204 k =-0.2819 0.6546 0.5004 ( 331 PWs) bands (ev): 1.9817 1.9817 3.1054 3.1054 4.7499 4.7499 5.5489 5.5489 5.9078 5.9078 14.0082 14.0082 16.3839 16.3839 16.8138 16.8138 k =-0.2907 0.6520 0.5076 ( 331 PWs) bands (ev): 2.0023 2.0023 3.0827 3.0827 4.8100 4.8100 5.4814 5.4814 5.7370 5.7370 14.1880 14.1880 16.5289 16.5289 16.8244 16.8244 k =-0.2995 0.6493 0.5149 ( 331 PWs) bands (ev): 2.0175 2.0175 3.0535 3.0535 4.8780 4.8780 5.4162 5.4162 5.5818 5.5818 14.3552 14.3552 16.6621 16.6621 16.8552 16.8552 k =-0.3083 0.6467 0.5221 ( 331 PWs) bands (ev): 2.0268 2.0268 3.0168 3.0168 4.9522 4.9522 5.3529 5.3529 5.4459 5.4459 14.5070 14.5070 16.7800 16.7800 16.9112 16.9112 k =-0.3171 0.6441 0.5294 ( 331 PWs) bands (ev): 2.0296 2.0296 2.9715 2.9715 5.0291 5.0291 5.2893 5.2893 5.3364 5.3364 14.6409 14.6409 16.8834 16.8834 16.9935 16.9935 k =-0.3260 0.6414 0.5366 ( 340 PWs) bands (ev): 2.0254 2.0254 2.9163 2.9163 5.0945 5.0945 5.2243 5.2243 5.2688 5.2688 14.7549 14.7549 16.9758 16.9758 17.0840 17.0840 k =-0.3260 0.6414 0.5366 ( 340 PWs) bands (ev): 2.0254 2.0254 2.9163 2.9163 5.0945 5.0945 5.2243 5.2243 5.2688 5.2688 14.7549 14.7549 16.9758 16.9758 17.0840 17.0840 k =-0.3302 0.6305 0.5366 ( 332 PWs) bands (ev): 2.0030 2.0030 2.7939 2.7939 5.1030 5.1030 5.1100 5.1100 5.2841 5.2841 14.9714 14.9714 17.2043 17.2043 17.3143 17.3143 k =-0.3344 0.6197 0.5366 ( 332 PWs) bands (ev): 1.9686 1.9686 2.6744 2.6744 4.9979 4.9979 5.0051 5.0051 5.4259 5.4259 15.1891 15.1891 17.4192 17.4192 17.5308 17.5308 k =-0.3387 0.6088 0.5366 ( 332 PWs) bands (ev): 1.9246 1.9246 2.5579 2.5579 4.8881 4.8881 4.8982 4.8982 5.5948 5.5948 15.4086 15.4086 17.6363 17.6363 17.7494 17.7494 k =-0.3429 0.5979 0.5366 ( 332 PWs) bands (ev): 1.8731 1.8731 2.4445 2.4445 4.7806 4.7806 4.7917 4.7917 5.7793 5.7793 15.6297 15.6297 17.8554 17.8554 17.9699 17.9699 k =-0.3472 0.5870 0.5366 ( 332 PWs) bands (ev): 1.8160 1.8160 2.3340 2.3340 4.6757 4.6757 4.6868 4.6868 5.9762 5.9762 15.8522 15.8522 18.0761 18.0761 18.1920 18.1920 k =-0.3514 0.5761 0.5366 ( 332 PWs) bands (ev): 1.7547 1.7547 2.2265 2.2265 4.5732 4.5732 4.5842 4.5842 6.1836 6.1836 16.0760 16.0760 18.2982 18.2982 18.4156 18.4156 k =-0.3557 0.5652 0.5366 ( 332 PWs) bands (ev): 1.6905 1.6905 2.1221 2.1221 4.4733 4.4733 4.4840 4.4840 6.4001 6.4001 16.3007 16.3007 18.5215 18.5215 18.6403 18.6403 k =-0.3599 0.5543 0.5366 ( 332 PWs) bands (ev): 1.6243 1.6243 2.0206 2.0206 4.3760 4.3760 4.3864 4.3864 6.6245 6.6245 16.5261 16.5261 18.7456 18.7456 18.8658 18.8658 k =-0.3642 0.5434 0.5366 ( 332 PWs) bands (ev): 1.5571 1.5571 1.9221 1.9221 4.2813 4.2813 4.2913 4.2913 6.8561 6.8561 16.7519 16.7519 18.9702 18.9702 19.0917 19.0917 k =-0.3684 0.5325 0.5366 ( 336 PWs) bands (ev): 1.4893 1.4893 1.8266 1.8266 4.1890 4.1890 4.1985 4.1985 7.0930 7.0930 16.9777 16.9777 19.1948 19.1948 19.3176 19.3176 k =-0.3726 0.5216 0.5366 ( 336 PWs) bands (ev): 1.4217 1.4217 1.7341 1.7341 4.0997 4.0997 4.1088 4.1088 7.3368 7.3368 17.2031 17.2031 19.4191 19.4191 19.5432 19.5432 k =-0.3769 0.5107 0.5366 ( 336 PWs) bands (ev): 1.3547 1.3547 1.6445 1.6445 4.0130 4.0130 4.0218 4.0218 7.5860 7.5860 17.4274 17.4274 19.6425 19.6425 19.7677 19.7677 k =-0.3811 0.4998 0.5366 ( 336 PWs) bands (ev): 1.2885 1.2885 1.5580 1.5580 3.9292 3.9292 3.9375 3.9375 7.8402 7.8402 17.6501 17.6501 19.8645 19.8645 19.9907 19.9907 k =-0.3854 0.4890 0.5366 ( 332 PWs) bands (ev): 1.2235 1.2235 1.4744 1.4744 3.8482 3.8482 3.8561 3.8561 8.1004 8.1004 17.8703 17.8703 20.0845 20.0845 20.2116 20.2116 k =-0.3896 0.4781 0.5366 ( 332 PWs) bands (ev): 1.1600 1.1600 1.3938 1.3938 3.7699 3.7699 3.7774 3.7774 8.3636 8.3636 18.0870 18.0870 20.3016 20.3016 20.4292 20.4292 k =-0.3939 0.4672 0.5366 ( 332 PWs) bands (ev): 1.0980 1.0980 1.3162 1.3162 3.6944 3.6944 3.7015 3.7015 8.6310 8.6310 18.2992 18.2992 20.5150 20.5150 20.6430 20.6430 k =-0.3981 0.4563 0.5366 ( 332 PWs) bands (ev): 1.0379 1.0379 1.2415 1.2415 3.6218 3.6218 3.6285 3.6285 8.9023 8.9023 18.5053 18.5053 20.7238 20.7238 20.8517 20.8517 k =-0.4024 0.4454 0.5366 ( 332 PWs) bands (ev): 0.9798 0.9798 1.1698 1.1698 3.5520 3.5520 3.5584 3.5584 9.1773 9.1773 18.7035 18.7035 20.9270 20.9270 21.0543 21.0543 k =-0.4066 0.4345 0.5366 ( 332 PWs) bands (ev): 0.9237 0.9237 1.1010 1.1010 3.4851 3.4851 3.4911 3.4911 9.4560 9.4560 18.8916 18.8916 21.1234 21.1234 21.2495 21.2495 k =-0.4109 0.4236 0.5366 ( 332 PWs) bands (ev): 0.8697 0.8697 1.0353 1.0353 3.4210 3.4210 3.4267 3.4267 9.7381 9.7381 19.0669 19.0669 21.3118 21.3118 21.4361 21.4361 k =-0.4151 0.4127 0.5366 ( 340 PWs) bands (ev): 0.8180 0.8180 0.9724 0.9724 3.3597 3.3597 3.3651 3.3651 10.0235 10.0235 19.2259 19.2259 21.4867 21.4867 21.6084 21.6084 k =-0.4193 0.4018 0.5366 ( 340 PWs) bands (ev): 0.7687 0.7687 0.9125 0.9125 3.3015 3.3015 3.3065 3.3065 10.3121 10.3121 19.3647 19.3647 21.6559 21.6559 21.7741 21.7741 k =-0.4236 0.3909 0.5366 ( 340 PWs) bands (ev): 0.7218 0.7218 0.8556 0.8556 3.2462 3.2462 3.2509 3.2509 10.6038 10.6038 19.4786 19.4786 21.8135 21.8135 21.9275 21.9275 k =-0.4278 0.3800 0.5366 ( 340 PWs) bands (ev): 0.6774 0.6774 0.8016 0.8016 3.1939 3.1939 3.1983 3.1983 10.8984 10.8984 19.5624 19.5624 21.9588 21.9588 22.0678 22.0678 k =-0.4321 0.3691 0.5366 ( 340 PWs) bands (ev): 0.6354 0.6354 0.7505 0.7505 3.1445 3.1445 3.1486 3.1486 11.1959 11.1959 19.6111 19.6111 22.0908 22.0908 22.1942 22.1942 k =-0.4363 0.3583 0.5366 ( 336 PWs) bands (ev): 0.5962 0.5962 0.7024 0.7024 3.0980 3.0980 3.1019 3.1019 11.4961 11.4961 19.6202 19.6202 22.2126 22.2126 22.3098 22.3098 k =-0.4406 0.3474 0.5366 ( 336 PWs) bands (ev): 0.5594 0.5594 0.6572 0.6572 3.0546 3.0546 3.0581 3.0581 11.7989 11.7989 19.5867 19.5867 22.3172 22.3172 22.4081 22.4081 k =-0.4448 0.3365 0.5366 ( 336 PWs) bands (ev): 0.5252 0.5252 0.6149 0.6149 3.0140 3.0140 3.0173 3.0173 12.1041 12.1041 19.5100 19.5100 22.4087 22.4087 22.4933 22.4933 k =-0.4491 0.3256 0.5366 ( 336 PWs) bands (ev): 0.4938 0.4938 0.5756 0.5756 2.9765 2.9765 2.9795 2.9795 12.4117 12.4117 19.3914 19.3914 22.4881 22.4881 22.5663 22.5663 k =-0.4533 0.3147 0.5366 ( 336 PWs) bands (ev): 0.4649 0.4649 0.5392 0.5392 2.9420 2.9420 2.9447 2.9447 12.7216 12.7216 19.2345 19.2345 22.5563 22.5563 22.6280 22.6280 k =-0.4575 0.3038 0.5366 ( 336 PWs) bands (ev): 0.4388 0.4388 0.5056 0.5056 2.9104 2.9104 2.9129 2.9129 13.0335 13.0335 19.0441 19.0441 22.6146 22.6146 22.6796 22.6796 k =-0.4618 0.2929 0.5366 ( 336 PWs) bands (ev): 0.4155 0.4155 0.4750 0.4750 2.8819 2.8819 2.8841 2.8841 13.3473 13.3473 18.8253 18.8253 22.6640 22.6640 22.7224 22.7224 k =-0.4660 0.2820 0.5366 ( 344 PWs) bands (ev): 0.3948 0.3948 0.4472 0.4472 2.8563 2.8563 2.8582 2.8582 13.6627 13.6627 18.5832 18.5832 22.7055 22.7055 22.7571 22.7571 k =-0.4703 0.2711 0.5366 ( 344 PWs) bands (ev): 0.3769 0.3769 0.4224 0.4224 2.8338 2.8338 2.8355 2.8355 13.9797 13.9797 18.3222 18.3222 22.7404 22.7404 22.7853 22.7853 k =-0.4745 0.2602 0.5366 ( 344 PWs) bands (ev): 0.3618 0.3618 0.4005 0.4005 2.8142 2.8142 2.8157 2.8157 14.2980 14.2980 18.0463 18.0463 22.7693 22.7693 22.8075 22.8075 k =-0.4788 0.2493 0.5366 ( 344 PWs) bands (ev): 0.3495 0.3495 0.3815 0.3815 2.7977 2.7977 2.7989 2.7989 14.6173 14.6173 17.7586 17.7586 22.7930 22.7930 22.8246 22.8246 k =-0.4830 0.2384 0.5366 ( 344 PWs) bands (ev): 0.3401 0.3401 0.3653 0.3653 2.7842 2.7842 2.7852 2.7852 14.9372 14.9372 17.4617 17.4617 22.8121 22.8121 22.8373 22.8373 k =-0.4873 0.2275 0.5366 ( 344 PWs) bands (ev): 0.3334 0.3334 0.3521 0.3521 2.7738 2.7738 2.7745 2.7745 15.2575 15.2575 17.1577 17.1577 22.8272 22.8272 22.8459 22.8459 k =-0.4915 0.2167 0.5366 ( 336 PWs) bands (ev): 0.3299 0.3299 0.3429 0.3429 2.7664 2.7664 2.7669 2.7669 15.5809 15.5809 16.8484 16.8484 22.8385 22.8385 22.8510 22.8510 k =-0.4958 0.2058 0.5366 ( 336 PWs) bands (ev): 0.3289 0.3289 0.3354 0.3354 2.7620 2.7620 2.7622 2.7622 15.9005 15.9005 16.5350 16.5350 22.8464 22.8464 22.8526 22.8526 k =-0.5000 0.1949 0.5366 ( 336 PWs) bands (ev): 0.3307 0.3307 0.3307 0.3307 2.7606 2.7606 2.7606 2.7606 16.2187 16.2187 16.2187 16.2187 22.8511 22.8511 22.8511 22.8511 k = 0.0000 0.0000 0.5366 ( 322 PWs) bands (ev): -1.8384 -1.8384 -1.8384 -1.8384 10.3304 10.3304 10.3304 10.3304 12.1855 12.1855 12.1855 12.1855 18.0576 18.0576 18.0576 18.0576 k = 0.0042 0.0109 0.5366 ( 322 PWs) bands (ev): -1.8370 -1.8370 -1.8369 -1.8369 10.3309 10.3309 10.3317 10.3317 12.1867 12.1867 12.1871 12.1871 18.0281 18.0281 18.0282 18.0282 k = 0.0085 0.0217 0.5366 ( 322 PWs) bands (ev): -1.8326 -1.8326 -1.8324 -1.8324 10.3334 10.3334 10.3348 10.3348 12.1906 12.1906 12.1914 12.1914 17.9426 17.9426 17.9427 17.9427 k = 0.0127 0.0326 0.5366 ( 322 PWs) bands (ev): -1.8252 -1.8252 -1.8250 -1.8250 10.3376 10.3376 10.3399 10.3399 12.1972 12.1972 12.1984 12.1984 17.8085 17.8085 17.8086 17.8086 k = 0.0169 0.0435 0.5366 ( 322 PWs) bands (ev): -1.8149 -1.8149 -1.8146 -1.8146 10.3437 10.3437 10.3467 10.3467 12.2065 12.2065 12.2082 12.2082 17.6354 17.6354 17.6356 17.6356 k = 0.0212 0.0544 0.5366 ( 326 PWs) bands (ev): -1.8017 -1.8017 -1.8013 -1.8013 10.3508 10.3508 10.3545 10.3545 12.2186 12.2186 12.2206 12.2206 17.4319 17.4319 17.4321 17.4321 k = 0.0254 0.0652 0.5366 ( 330 PWs) bands (ev): -1.7855 -1.7855 -1.7850 -1.7850 10.3601 10.3601 10.3646 10.3646 12.2332 12.2332 12.2357 12.2357 17.2033 17.2033 17.2034 17.2034 k = 0.0297 0.0761 0.5366 ( 324 PWs) bands (ev): -1.7663 -1.7663 -1.7657 -1.7657 10.3712 10.3712 10.3764 10.3764 12.2514 12.2514 12.2543 12.2543 16.9629 16.9629 16.9631 16.9631 k = 0.0339 0.0870 0.5366 ( 324 PWs) bands (ev): -1.7442 -1.7442 -1.7435 -1.7435 10.3835 10.3835 10.3895 10.3895 12.2716 12.2716 12.2749 12.2749 16.7113 16.7113 16.7114 16.7114 k = 0.0381 0.0978 0.5366 ( 324 PWs) bands (ev): -1.7191 -1.7191 -1.7184 -1.7184 10.3969 10.3969 10.4038 10.4038 12.2945 12.2945 12.2982 12.2982 16.4525 16.4525 16.4525 16.4525 k = 0.0424 0.1087 0.5366 ( 324 PWs) bands (ev): -1.6911 -1.6911 -1.6903 -1.6903 10.4113 10.4113 10.4190 10.4190 12.3200 12.3200 12.3241 12.3241 16.1891 16.1891 16.1892 16.1892 k = 0.0466 0.1196 0.5366 ( 324 PWs) bands (ev): -1.6602 -1.6602 -1.6592 -1.6592 10.4264 10.4264 10.4349 10.4349 12.3482 12.3482 12.3527 12.3527 15.9234 15.9234 15.9236 15.9236 k = 0.0508 0.1305 0.5366 ( 324 PWs) bands (ev): -1.6263 -1.6263 -1.6252 -1.6252 10.4418 10.4418 10.4511 10.4511 12.3791 12.3791 12.3839 12.3839 15.6572 15.6572 15.6575 15.6575 k = 0.0551 0.1413 0.5366 ( 326 PWs) bands (ev): -1.5894 -1.5894 -1.5883 -1.5883 10.4569 10.4569 10.4671 10.4671 12.4115 12.4115 12.4167 12.4167 15.3921 15.3921 15.3926 15.3926 k = 0.0593 0.1522 0.5366 ( 326 PWs) bands (ev): -1.5497 -1.5497 -1.5484 -1.5484 10.4715 10.4715 10.4824 10.4824 12.4476 12.4476 12.4531 12.4531 15.1295 15.1295 15.1302 15.1302 k = 0.0636 0.1631 0.5366 ( 326 PWs) bands (ev): -1.5070 -1.5070 -1.5056 -1.5056 10.4846 10.4846 10.4965 10.4965 12.4863 12.4863 12.4920 12.4920 14.8708 14.8708 14.8718 14.8718 k = 0.0678 0.1739 0.5366 ( 326 PWs) bands (ev): -1.4613 -1.4613 -1.4599 -1.4599 10.4956 10.4956 10.5082 10.5082 12.5276 12.5276 12.5334 12.5334 14.6173 14.6173 14.6187 14.6187 k = 0.0720 0.1848 0.5366 ( 326 PWs) bands (ev): -1.4128 -1.4128 -1.4112 -1.4112 10.5033 10.5033 10.5167 10.5167 12.5713 12.5713 12.5771 12.5771 14.3706 14.3706 14.3725 14.3725 k = 0.0763 0.1957 0.5366 ( 326 PWs) bands (ev): -1.3613 -1.3613 -1.3596 -1.3596 10.5064 10.5064 10.5206 10.5206 12.6175 12.6175 12.6230 12.6230 14.1325 14.1325 14.1351 14.1351 k = 0.0805 0.2066 0.5366 ( 326 PWs) bands (ev): -1.3069 -1.3069 -1.3051 -1.3051 10.5032 10.5032 10.5183 10.5183 12.6659 12.6659 12.6709 12.6709 13.9050 13.9050 13.9085 13.9085 k = 0.0847 0.2174 0.5366 ( 326 PWs) bands (ev): -1.2496 -1.2496 -1.2477 -1.2477 10.4920 10.4920 10.5077 10.5077 12.7164 12.7164 12.7202 12.7202 13.6904 13.6904 13.6954 13.6954 k = 0.0890 0.2283 0.5366 ( 326 PWs) bands (ev): -1.1894 -1.1894 -1.1873 -1.1873 10.4703 10.4703 10.4866 10.4866 12.7684 12.7684 12.7698 12.7698 13.4917 13.4917 13.4994 13.4994 k = 0.0932 0.2392 0.5366 ( 326 PWs) bands (ev): -1.1262 -1.1262 -1.1241 -1.1241 10.4357 10.4357 10.4525 10.4525 12.8172 12.8172 12.8209 12.8209 13.3128 13.3128 13.3256 13.3256 k = 0.0975 0.2501 0.5366 ( 326 PWs) bands (ev): -1.0602 -1.0602 -1.0580 -1.0580 10.3856 10.3856 10.4027 10.4027 12.8544 12.8544 12.8695 12.8695 13.1606 13.1606 13.1848 13.1848 k = 0.1017 0.2609 0.5366 ( 334 PWs) bands (ev): -0.9914 -0.9914 -0.9890 -0.9890 10.3169 10.3169 10.3341 10.3341 12.8562 12.8562 12.8917 12.8917 13.0576 13.0576 13.1019 13.1019 k = 0.1059 0.2718 0.5366 ( 334 PWs) bands (ev): -0.9196 -0.9196 -0.9171 -0.9171 10.2293 10.2293 10.2463 10.2463 12.8052 12.8052 12.8423 12.8423 13.0559 13.0559 13.1014 13.1014 k = 0.1102 0.2827 0.5366 ( 334 PWs) bands (ev): -0.8450 -0.8450 -0.8423 -0.8423 10.1214 10.1214 10.1381 10.1381 12.7377 12.7377 12.7688 12.7688 13.1063 13.1063 13.1450 13.1450 k = 0.1144 0.2935 0.5366 ( 334 PWs) bands (ev): -0.7676 -0.7676 -0.7647 -0.7647 9.9935 9.9935 10.0098 10.0098 12.6816 12.6816 12.7101 12.7101 13.1692 13.1692 13.2045 13.2045 k = 0.1186 0.3044 0.5366 ( 334 PWs) bands (ev): -0.6873 -0.6873 -0.6843 -0.6843 9.8472 9.8472 9.8630 9.8630 12.6440 12.6440 12.6719 12.6719 13.2375 13.2375 13.2713 13.2713 k = 0.1229 0.3153 0.5366 ( 330 PWs) bands (ev): -0.6041 -0.6041 -0.6009 -0.6009 9.6850 9.6850 9.7003 9.7003 12.6255 12.6255 12.6539 12.6539 13.3102 13.3102 13.3436 13.3436 k = 0.1271 0.3262 0.5366 ( 326 PWs) bands (ev): -0.5183 -0.5183 -0.5149 -0.5149 9.5091 9.5091 9.5239 9.5239 12.6249 12.6249 12.6547 12.6547 13.3846 13.3846 13.4184 13.4184 k = 0.1314 0.3370 0.5366 ( 326 PWs) bands (ev): -0.4296 -0.4296 -0.4260 -0.4260 9.3223 9.3223 9.3365 9.3365 12.6388 12.6388 12.6703 12.6703 13.4614 13.4614 13.4960 13.4960 k = 0.1356 0.3479 0.5366 ( 330 PWs) bands (ev): -0.3383 -0.3383 -0.3345 -0.3345 9.1266 9.1266 9.1404 9.1404 12.6655 12.6655 12.6991 12.6991 13.5397 13.5397 13.5756 13.5756 k = 0.1398 0.3588 0.5366 ( 330 PWs) bands (ev): -0.2442 -0.2442 -0.2402 -0.2402 8.9248 8.9248 8.9383 8.9383 12.7038 12.7038 12.7396 12.7396 13.6207 13.6207 13.6581 13.6581 k = 0.1441 0.3696 0.5366 ( 330 PWs) bands (ev): -0.1475 -0.1475 -0.1432 -0.1432 8.7183 8.7183 8.7316 8.7316 12.7515 12.7515 12.7898 12.7898 13.7036 13.7036 13.7427 13.7427 k = 0.1483 0.3805 0.5366 ( 330 PWs) bands (ev): -0.0481 -0.0481 -0.0435 -0.0435 8.5085 8.5085 8.5217 8.5217 12.8073 12.8073 12.8482 12.8482 13.7882 13.7882 13.8294 13.8294 k = 0.1525 0.3914 0.5366 ( 330 PWs) bands (ev): 0.0539 0.0539 0.0587 0.0587 8.2967 8.2967 8.3098 8.3098 12.8699 12.8699 12.9137 12.9137 13.8745 13.8745 13.9179 13.9179 k = 0.1568 0.4023 0.5366 ( 330 PWs) bands (ev): 0.1584 0.1584 0.1635 0.1635 8.0839 8.0839 8.0969 8.0969 12.9383 12.9383 12.9851 12.9851 13.9621 13.9621 14.0081 14.0081 k = 0.1610 0.4131 0.5366 ( 330 PWs) bands (ev): 0.2654 0.2654 0.2708 0.2708 7.8708 7.8708 7.8838 7.8838 13.0116 13.0116 13.0618 13.0618 14.0510 14.0510 14.0999 14.0999 k = 0.1653 0.4240 0.5366 ( 330 PWs) bands (ev): 0.3748 0.3748 0.3806 0.3806 7.6581 7.6581 7.6712 7.6712 13.0890 13.0890 13.1428 13.1428 14.1409 14.1409 14.1931 14.1931 k = 0.1695 0.4349 0.5366 ( 326 PWs) bands (ev): 0.4865 0.4865 0.4927 0.4927 7.4465 7.4465 7.4597 7.4597 13.1702 13.1702 13.2279 13.2279 14.2324 14.2324 14.2883 14.2883 k = 0.1737 0.4457 0.5366 ( 326 PWs) bands (ev): 0.6004 0.6004 0.6070 0.6070 7.2363 7.2363 7.2497 7.2497 13.2541 13.2541 13.3160 13.3160 14.3237 14.3237 14.3837 14.3837 k = 0.1780 0.4566 0.5366 ( 326 PWs) bands (ev): 0.7163 0.7163 0.7234 0.7234 7.0280 7.0280 7.0418 7.0418 13.3402 13.3402 13.4066 13.4066 14.4153 14.4153 14.4798 14.4798 k = 0.1822 0.4675 0.5366 ( 326 PWs) bands (ev): 0.8342 0.8342 0.8418 0.8418 6.8221 6.8221 6.8362 6.8362 13.4280 13.4280 13.4993 13.4993 14.5069 14.5069 14.5763 14.5763 k = 0.1864 0.4784 0.5366 ( 326 PWs) bands (ev): 0.9537 0.9537 0.9619 0.9619 6.6190 6.6190 6.6335 6.6335 13.5169 13.5169 13.5935 13.5935 14.5981 14.5981 14.6730 14.6730 k = 0.1907 0.4892 0.5366 ( 328 PWs) bands (ev): 1.0752 1.0752 1.0840 1.0840 6.4191 6.4191 6.4341 6.4341 13.6055 13.6055 13.6879 13.6879 14.6887 14.6887 14.7697 14.7697 k = 0.1949 0.5001 0.5366 ( 328 PWs) bands (ev): 1.1974 1.1974 1.2069 1.2069 6.2228 6.2228 6.2384 6.2384 13.6948 13.6948 13.7833 13.7833 14.7777 14.7777 14.8656 14.8656 k = 0.1992 0.5110 0.5366 ( 328 PWs) bands (ev): 1.3205 1.3205 1.3307 1.3307 6.0307 6.0307 6.0470 6.0470 13.7832 13.7832 13.8784 13.8784 14.8649 14.8649 14.9603 14.9603 k = 0.2034 0.5218 0.5366 ( 330 PWs) bands (ev): 1.4438 1.4438 1.4549 1.4549 5.8429 5.8429 5.8600 5.8600 13.8700 13.8700 13.9723 13.9723 14.9495 14.9495 15.0532 15.0532 k = 0.2076 0.5327 0.5366 ( 330 PWs) bands (ev): 1.5668 1.5668 1.5790 1.5790 5.6609 5.6609 5.6789 5.6789 13.9544 13.9544 14.0644 14.0644 15.0311 15.0311 15.1439 15.1439 k = 0.2119 0.5436 0.5366 ( 326 PWs) bands (ev): 1.6891 1.6891 1.7023 1.7023 5.4854 5.4854 5.5045 5.5045 14.0364 14.0364 14.1545 14.1545 15.1092 15.1092 15.2320 15.2320 k = 0.2161 0.5545 0.5366 ( 324 PWs) bands (ev): 1.8091 1.8091 1.8237 1.8237 5.3170 5.3170 5.3374 5.3374 14.1137 14.1137 14.2401 14.2401 15.1822 15.1822 15.3156 15.3156 k = 0.2203 0.5653 0.5366 ( 324 PWs) bands (ev): 1.9256 1.9256 1.9416 1.9416 5.1573 5.1573 5.1790 5.1790 14.1852 14.1852 14.3201 14.3201 15.2497 15.2497 15.3941 15.3941 k = 0.2246 0.5762 0.5366 ( 316 PWs) bands (ev): 2.0369 2.0369 2.0545 2.0545 5.0084 5.0084 5.0316 5.0316 14.2524 14.2524 14.3958 14.3958 15.3108 15.3108 15.4665 15.4665 k = 0.2288 0.5871 0.5366 ( 316 PWs) bands (ev): 2.1406 2.1406 2.1600 2.1600 4.8721 4.8721 4.8971 4.8971 14.3100 14.3100 14.4615 14.4615 15.3645 15.3645 15.5314 15.5314 k = 0.2331 0.5980 0.5366 ( 316 PWs) bands (ev): 2.2338 2.2338 2.2550 2.2550 4.7518 4.7518 4.7786 4.7786 14.3591 14.3591 14.5180 14.5180 15.4098 15.4098 15.5873 15.5873 k = 0.2373 0.6088 0.5366 ( 316 PWs) bands (ev): 2.3129 2.3129 2.3359 2.3359 4.6512 4.6512 4.6798 4.6798 14.3985 14.3985 14.5639 14.5639 15.4461 15.4461 15.6328 15.6328 k = 0.2415 0.6197 0.5366 ( 316 PWs) bands (ev): 2.3738 2.3738 2.3984 2.3984 4.5747 4.5747 4.6049 4.6049 14.4275 14.4275 14.5978 14.5978 15.4726 15.4726 15.6666 15.6666 k = 0.2458 0.6306 0.5366 ( 320 PWs) bands (ev): 2.4119 2.4119 2.4376 2.4376 4.5264 4.5264 4.5577 4.5577 14.4452 14.4452 14.6186 14.6186 15.4887 15.4887 15.6873 15.6873 k = 0.2500 0.6414 0.5366 ( 324 PWs) bands (ev): 2.4251 2.4251 2.4512 2.4512 4.5099 4.5099 4.5416 4.5416 14.4497 14.4497 14.6242 14.6242 15.4934 15.4934 15.6937 15.6937 Writing output data file Ge.save init_run : 0.03s CPU 0.17s WALL ( 1 calls) electrons : 15.57s CPU 16.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 15.56s CPU 16.35s 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 0.01s WALL ( 462 calls) cegterg : 14.17s CPU 14.66s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 6.11s CPU 6.14s WALL ( 5116 calls) s_psi : 0.09s CPU 0.09s WALL ( 5116 calls) g_psi : 0.03s CPU 0.01s WALL ( 4192 calls) cdiaghg : 7.78s CPU 8.20s WALL ( 4654 calls) cegterg:over : 0.45s CPU 0.46s WALL ( 4192 calls) cegterg:upda : 0.29s CPU 0.34s WALL ( 4192 calls) cegterg:last : 0.18s CPU 0.18s WALL ( 1079 calls) cdiaghg:chol : 0.50s CPU 0.46s WALL ( 4654 calls) cdiaghg:inve : 0.10s CPU 0.11s WALL ( 4654 calls) cdiaghg:para : 0.53s CPU 0.59s WALL ( 9308 calls) Called by h_psi: h_psi:vloc : 5.76s CPU 5.74s WALL ( 5116 calls) h_psi:vnl : 0.34s CPU 0.38s WALL ( 5116 calls) add_vuspsi : 0.12s CPU 0.13s WALL ( 5116 calls) General routines calbec : 0.21s CPU 0.24s WALL ( 5116 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 5.38s CPU 5.46s WALL ( 234580 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.16s WALL ( 924 calls) Parallel routines fft_scatter : 3.47s CPU 3.58s WALL ( 234603 calls) PWSCF : 20.52s CPU 35.60s WALL This run was terminated on: 19: 8:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=