Program PWSCF v.5.1.1 starts on 27Aug2015 at 17:12:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlP.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 10 10 3 152 152 26 Max 11 11 4 156 156 29 Sum 499 499 163 7391 7391 1291 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) = 7.2384 a.u. unit-cell volume = 268.1717 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 138.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.238402 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 387 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0086207 -0.0049772 0.0070388), wk = 0.0025840 k( 3) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0025840 k( 4) = ( 0.0258621 -0.0149315 0.0211163), wk = 0.0025840 k( 5) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0025840 k( 6) = ( 0.0431035 -0.0248858 0.0351938), wk = 0.0025840 k( 7) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0025840 k( 8) = ( 0.0603448 -0.0348401 0.0492713), wk = 0.0025840 k( 9) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0025840 k( 10) = ( 0.0775862 -0.0447944 0.0633489), wk = 0.0025840 k( 11) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0025840 k( 12) = ( 0.0948276 -0.0547487 0.0774264), wk = 0.0025840 k( 13) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0025840 k( 14) = ( 0.1120690 -0.0647030 0.0915039), wk = 0.0025840 k( 15) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0025840 k( 16) = ( 0.1293103 -0.0746574 0.1055815), wk = 0.0025840 k( 17) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0025840 k( 18) = ( 0.1465517 -0.0846117 0.1196590), wk = 0.0025840 k( 19) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0025840 k( 20) = ( 0.1637931 -0.0945660 0.1337365), wk = 0.0025840 k( 21) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0025840 k( 22) = ( 0.1810345 -0.1045203 0.1478140), wk = 0.0025840 k( 23) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0025840 k( 24) = ( 0.1982759 -0.1144746 0.1618916), wk = 0.0025840 k( 25) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0025840 k( 26) = ( 0.2155172 -0.1244289 0.1759691), wk = 0.0025840 k( 27) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0025840 k( 28) = ( 0.2327586 -0.1343833 0.1900466), wk = 0.0025840 k( 29) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0025840 k( 30) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025840 k( 31) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0025840 k( 32) = ( 0.2672414 -0.1542919 0.2182017), wk = 0.0025840 k( 33) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0025840 k( 34) = ( 0.2844828 -0.1642462 0.2322792), wk = 0.0025840 k( 35) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0025840 k( 36) = ( 0.3017241 -0.1742005 0.2463567), wk = 0.0025840 k( 37) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0025840 k( 38) = ( 0.3189655 -0.1841548 0.2604343), wk = 0.0025840 k( 39) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0025840 k( 40) = ( 0.3362069 -0.1941091 0.2745118), wk = 0.0025840 k( 41) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0025840 k( 42) = ( 0.3534483 -0.2040635 0.2885893), wk = 0.0025840 k( 43) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0025840 k( 44) = ( 0.3706897 -0.2140178 0.3026668), wk = 0.0025840 k( 45) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0025840 k( 46) = ( 0.3879310 -0.2239721 0.3167444), wk = 0.0025840 k( 47) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0025840 k( 48) = ( 0.4051724 -0.2339264 0.3308219), wk = 0.0025840 k( 49) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0025840 k( 50) = ( 0.4224138 -0.2438807 0.3448994), wk = 0.0025840 k( 51) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0025840 k( 52) = ( 0.4396552 -0.2538350 0.3589769), wk = 0.0025840 k( 53) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0025840 k( 54) = ( 0.4568966 -0.2637893 0.3730545), wk = 0.0025840 k( 55) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0025840 k( 56) = ( 0.4741379 -0.2737437 0.3871320), wk = 0.0025840 k( 57) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0025840 k( 58) = ( 0.4913793 -0.2836980 0.4012095), wk = 0.0025840 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025840 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025840 k( 61) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0025840 k( 62) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0025840 k( 63) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0025840 k( 64) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0025840 k( 65) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0025840 k( 66) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0025840 k( 67) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0025840 k( 68) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0025840 k( 69) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0025840 k( 70) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0025840 k( 71) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0025840 k( 72) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0025840 k( 73) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0025840 k( 74) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0025840 k( 75) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0025840 k( 76) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0025840 k( 77) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0025840 k( 78) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0025840 k( 79) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0025840 k( 80) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0025840 k( 81) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0025840 k( 82) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0025840 k( 83) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0025840 k( 84) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0025840 k( 85) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0025840 k( 86) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0025840 k( 87) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0025840 k( 88) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0025840 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025840 k( 90) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025840 k( 91) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025840 k( 92) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025840 k( 93) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025840 k( 94) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025840 k( 95) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025840 k( 96) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025840 k( 97) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025840 k( 98) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025840 k( 99) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025840 k( 100) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025840 k( 101) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025840 k( 102) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025840 k( 103) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025840 k( 104) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025840 k( 105) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025840 k( 106) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025840 k( 107) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025840 k( 108) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025840 k( 109) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025840 k( 110) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025840 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025840 k( 112) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025840 k( 113) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025840 k( 114) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025840 k( 115) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025840 k( 116) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025840 k( 117) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025840 k( 118) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025840 k( 119) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025840 k( 120) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025840 k( 121) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025840 k( 122) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025840 k( 123) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025840 k( 124) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025840 k( 125) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025840 k( 126) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025840 k( 127) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025840 k( 128) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025840 k( 129) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025840 k( 130) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025840 k( 131) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025840 k( 132) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025840 k( 133) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025840 k( 134) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025840 k( 135) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025840 k( 136) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025840 k( 137) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025840 k( 138) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025840 k( 139) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025840 k( 140) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025840 k( 141) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025840 k( 142) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025840 k( 143) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025840 k( 144) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025840 k( 145) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025840 k( 146) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025840 k( 147) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025840 k( 148) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025840 k( 149) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025840 k( 150) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025840 k( 151) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025840 k( 152) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025840 k( 153) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025840 k( 154) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025840 k( 155) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025840 k( 156) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025840 k( 157) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025840 k( 158) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025840 k( 159) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025840 k( 160) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025840 k( 161) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025840 k( 162) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025840 k( 163) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025840 k( 164) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025840 k( 165) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025840 k( 166) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025840 k( 167) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025840 k( 168) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025840 k( 169) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025840 k( 170) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025840 k( 171) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025840 k( 172) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025840 k( 173) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 176) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025840 k( 177) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025840 k( 178) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025840 k( 179) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025840 k( 180) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025840 k( 181) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025840 k( 182) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025840 k( 183) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025840 k( 184) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025840 k( 185) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025840 k( 186) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025840 k( 187) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025840 k( 188) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025840 k( 189) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025840 k( 190) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025840 k( 191) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025840 k( 192) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025840 k( 193) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025840 k( 194) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025840 k( 195) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025840 k( 196) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025840 k( 197) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025840 k( 198) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025840 k( 199) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025840 k( 200) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025840 k( 201) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025840 k( 202) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025840 k( 203) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025840 k( 204) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025840 k( 205) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025840 k( 206) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025840 k( 207) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025840 k( 208) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025840 k( 209) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025840 k( 210) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025840 k( 211) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025840 k( 212) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025840 k( 213) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025840 k( 214) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025840 k( 215) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025840 k( 216) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025840 k( 217) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025840 k( 218) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025840 k( 219) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025840 k( 220) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025840 k( 221) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025840 k( 222) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025840 k( 223) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025840 k( 224) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025840 k( 225) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025840 k( 226) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025840 k( 227) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025840 k( 228) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025840 k( 229) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025840 k( 230) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025840 k( 231) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025840 k( 232) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025840 k( 233) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025840 k( 234) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025840 k( 235) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025840 k( 236) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025840 k( 237) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025840 k( 238) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025840 k( 239) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025840 k( 240) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025840 k( 241) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025840 k( 242) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025840 k( 243) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025840 k( 244) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025840 k( 245) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025840 k( 246) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025840 k( 247) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025840 k( 248) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025840 k( 249) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025840 k( 250) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025840 k( 251) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025840 k( 252) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025840 k( 253) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025840 k( 254) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025840 k( 255) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025840 k( 256) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025840 k( 257) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025840 k( 258) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025840 k( 259) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025840 k( 260) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025840 k( 261) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025840 k( 262) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025840 k( 263) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025840 k( 264) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025840 k( 265) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025840 k( 266) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025840 k( 267) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025840 k( 268) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025840 k( 269) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025840 k( 270) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025840 k( 271) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025840 k( 272) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025840 k( 273) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025840 k( 274) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025840 k( 275) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025840 k( 276) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025840 k( 277) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025840 k( 278) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025840 k( 279) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025840 k( 280) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025840 k( 281) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025840 k( 282) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025840 k( 283) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025840 k( 284) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025840 k( 285) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025840 k( 286) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025840 k( 287) = ( 0.5000000 0.0068732 0.6026522), wk = 0.0025840 k( 288) = ( 0.5000000 0.0137464 0.5929320), wk = 0.0025840 k( 289) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0025840 k( 290) = ( 0.5000000 0.0274929 0.5734917), wk = 0.0025840 k( 291) = ( 0.5000000 0.0343661 0.5637715), wk = 0.0025840 k( 292) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0025840 k( 293) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0025840 k( 294) = ( 0.5000000 0.0549857 0.5346109), wk = 0.0025840 k( 295) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0025840 k( 296) = ( 0.5000000 0.0687322 0.5151705), wk = 0.0025840 k( 297) = ( 0.5000000 0.0756054 0.5054503), wk = 0.0025840 k( 298) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0025840 k( 299) = ( 0.5000000 0.0893518 0.4860099), wk = 0.0025840 k( 300) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0025840 k( 301) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0025840 k( 302) = ( 0.5000000 0.1099715 0.4568493), wk = 0.0025840 k( 303) = ( 0.5000000 0.1168447 0.4471291), wk = 0.0025840 k( 304) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0025840 k( 305) = ( 0.5000000 0.1305911 0.4276887), wk = 0.0025840 k( 306) = ( 0.5000000 0.1374644 0.4179685), wk = 0.0025840 k( 307) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0025840 k( 308) = ( 0.5000000 0.1512108 0.3985281), wk = 0.0025840 k( 309) = ( 0.5000000 0.1580840 0.3888079), wk = 0.0025840 k( 310) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0025840 k( 311) = ( 0.5000000 0.1718304 0.3693675), wk = 0.0025840 k( 312) = ( 0.5000000 0.1787036 0.3596473), wk = 0.0025840 k( 313) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0025840 k( 314) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0025840 k( 315) = ( 0.5000000 0.1993233 0.3304867), wk = 0.0025840 k( 316) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0025840 k( 317) = ( 0.5000000 0.2130697 0.3110463), wk = 0.0025840 k( 318) = ( 0.5000000 0.2199430 0.3013261), wk = 0.0025840 k( 319) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0025840 k( 320) = ( 0.5000000 0.2336894 0.2818857), wk = 0.0025840 k( 321) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0025840 k( 322) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0025840 k( 323) = ( 0.5000000 0.2543091 0.2527251), wk = 0.0025840 k( 324) = ( 0.5000000 0.2611823 0.2430049), wk = 0.0025840 k( 325) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0025840 k( 326) = ( 0.5000000 0.2749287 0.2235645), wk = 0.0025840 k( 327) = ( 0.5000000 0.2818019 0.2138443), wk = 0.0025840 k( 328) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025840 k( 329) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025840 k( 330) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025840 k( 331) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025840 k( 332) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025840 k( 333) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025840 k( 334) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025840 k( 335) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025840 k( 336) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025840 k( 337) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025840 k( 338) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025840 k( 339) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025840 k( 340) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025840 k( 341) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025840 k( 342) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025840 k( 343) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025840 k( 344) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025840 k( 345) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025840 k( 346) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025840 k( 347) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025840 k( 348) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025840 k( 349) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025840 k( 350) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025840 k( 351) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025840 k( 352) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025840 k( 353) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025840 k( 354) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025840 k( 355) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025840 k( 356) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025840 k( 357) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025840 k( 358) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025840 k( 359) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025840 k( 360) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025840 k( 361) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025840 k( 362) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025840 k( 363) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025840 k( 364) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025840 k( 365) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025840 k( 366) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025840 k( 367) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025840 k( 368) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025840 k( 369) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025840 k( 370) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025840 k( 371) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025840 k( 372) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025840 k( 373) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025840 k( 374) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025840 k( 375) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025840 k( 376) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025840 k( 377) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025840 k( 378) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025840 k( 379) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025840 k( 380) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025840 k( 381) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025840 k( 382) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025840 k( 383) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025840 k( 384) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025840 k( 385) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025840 k( 386) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025840 k( 387) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025840 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0086207 0.0000000 0.0086207), wk = 0.0025840 k( 3) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0025840 k( 4) = ( 0.0258621 0.0000000 0.0258621), wk = 0.0025840 k( 5) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0025840 k( 6) = ( 0.0431035 -0.0000000 0.0431035), wk = 0.0025840 k( 7) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0025840 k( 8) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025840 k( 9) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0025840 k( 10) = ( 0.0775862 0.0000000 0.0775862), wk = 0.0025840 k( 11) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0025840 k( 12) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025840 k( 13) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0025840 k( 14) = ( 0.1120690 0.0000000 0.1120690), wk = 0.0025840 k( 15) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025840 k( 16) = ( 0.1293103 0.0000000 0.1293103), wk = 0.0025840 k( 17) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0025840 k( 18) = ( 0.1465517 0.0000000 0.1465517), wk = 0.0025840 k( 19) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0025840 k( 20) = ( 0.1637931 0.0000000 0.1637931), wk = 0.0025840 k( 21) = ( 0.1724138 -0.0000000 0.1724138), wk = 0.0025840 k( 22) = ( 0.1810345 0.0000000 0.1810345), wk = 0.0025840 k( 23) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025840 k( 24) = ( 0.1982759 0.0000000 0.1982759), wk = 0.0025840 k( 25) = ( 0.2068966 0.0000000 0.2068966), wk = 0.0025840 k( 26) = ( 0.2155172 0.0000000 0.2155172), wk = 0.0025840 k( 27) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025840 k( 28) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025840 k( 29) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0025840 k( 30) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025840 k( 31) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0025840 k( 32) = ( 0.2672414 0.0000000 0.2672414), wk = 0.0025840 k( 33) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0025840 k( 34) = ( 0.2844828 0.0000000 0.2844828), wk = 0.0025840 k( 35) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0025840 k( 36) = ( 0.3017241 0.0000000 0.3017241), wk = 0.0025840 k( 37) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0025840 k( 38) = ( 0.3189655 -0.0000000 0.3189655), wk = 0.0025840 k( 39) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0025840 k( 40) = ( 0.3362069 0.0000000 0.3362069), wk = 0.0025840 k( 41) = ( 0.3448276 0.0000000 0.3448276), wk = 0.0025840 k( 42) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025840 k( 43) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0025840 k( 44) = ( 0.3706897 -0.0000000 0.3706897), wk = 0.0025840 k( 45) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025840 k( 46) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025840 k( 47) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0025840 k( 48) = ( 0.4051724 0.0000000 0.4051724), wk = 0.0025840 k( 49) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0025840 k( 50) = ( 0.4224138 0.0000000 0.4224138), wk = 0.0025840 k( 51) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0025840 k( 52) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025840 k( 53) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025840 k( 54) = ( 0.4568966 0.0000000 0.4568966), wk = 0.0025840 k( 55) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025840 k( 56) = ( 0.4741379 0.0000000 0.4741379), wk = 0.0025840 k( 57) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0025840 k( 58) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025840 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 61) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0025840 k( 62) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0025840 k( 63) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0025840 k( 64) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0025840 k( 65) = ( 0.5000000 0.0431035 0.5431035), wk = 0.0025840 k( 66) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0025840 k( 67) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0025840 k( 68) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0025840 k( 69) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0025840 k( 70) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0025840 k( 71) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0025840 k( 72) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0025840 k( 73) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0025840 k( 74) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0025840 k( 75) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0025840 k( 76) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0025840 k( 77) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0025840 k( 78) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0025840 k( 79) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0025840 k( 80) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0025840 k( 81) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0025840 k( 82) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0025840 k( 83) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0025840 k( 84) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0025840 k( 85) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0025840 k( 86) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0025840 k( 87) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0025840 k( 88) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0025840 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025840 k( 90) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025840 k( 91) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025840 k( 92) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025840 k( 93) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025840 k( 94) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025840 k( 95) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025840 k( 96) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025840 k( 97) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025840 k( 98) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025840 k( 99) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025840 k( 100) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025840 k( 101) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025840 k( 102) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025840 k( 103) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025840 k( 104) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025840 k( 105) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025840 k( 106) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025840 k( 107) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025840 k( 108) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025840 k( 109) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025840 k( 110) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025840 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025840 k( 112) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025840 k( 113) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025840 k( 114) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025840 k( 115) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025840 k( 116) = ( 0.3508064 0.3508064 0.7016129), wk = 0.0025840 k( 117) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025840 k( 118) = ( 0.3387097 0.3387097 0.6774194), wk = 0.0025840 k( 119) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025840 k( 120) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025840 k( 121) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025840 k( 122) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025840 k( 123) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025840 k( 124) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0025840 k( 125) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025840 k( 126) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025840 k( 127) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025840 k( 128) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025840 k( 129) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025840 k( 130) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025840 k( 131) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025840 k( 132) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025840 k( 133) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025840 k( 134) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025840 k( 135) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025840 k( 136) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025840 k( 137) = ( 0.2237903 0.2237903 0.4475807), wk = 0.0025840 k( 138) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025840 k( 139) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025840 k( 140) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025840 k( 141) = ( 0.1995968 0.1995968 0.3991936), wk = 0.0025840 k( 142) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025840 k( 143) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025840 k( 144) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025840 k( 145) = ( 0.1754032 0.1754032 0.3508064), wk = 0.0025840 k( 146) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025840 k( 147) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025840 k( 148) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025840 k( 149) = ( 0.1512097 0.1512097 0.3024193), wk = 0.0025840 k( 150) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025840 k( 151) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025840 k( 152) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025840 k( 153) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025840 k( 154) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025840 k( 155) = ( 0.1149194 0.1149194 0.2298387), wk = 0.0025840 k( 156) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025840 k( 157) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025840 k( 158) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025840 k( 159) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025840 k( 160) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025840 k( 161) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025840 k( 162) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025840 k( 163) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025840 k( 164) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025840 k( 165) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025840 k( 166) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025840 k( 167) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025840 k( 168) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025840 k( 169) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025840 k( 170) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025840 k( 171) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025840 k( 172) = ( 0.0120968 0.0120968 0.0241936), wk = 0.0025840 k( 173) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 176) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025840 k( 177) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025840 k( 178) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025840 k( 179) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025840 k( 180) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025840 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025840 k( 182) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0025840 k( 183) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025840 k( 184) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025840 k( 185) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025840 k( 186) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025840 k( 187) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025840 k( 188) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025840 k( 189) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025840 k( 190) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025840 k( 191) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0025840 k( 192) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025840 k( 193) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025840 k( 194) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025840 k( 195) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025840 k( 196) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0025840 k( 197) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025840 k( 198) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025840 k( 199) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025840 k( 200) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025840 k( 201) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025840 k( 202) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025840 k( 203) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025840 k( 204) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025840 k( 205) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025840 k( 206) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025840 k( 207) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025840 k( 208) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025840 k( 209) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025840 k( 210) = ( 0.3431373 0.3431372 0.3431373), wk = 0.0025840 k( 211) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025840 k( 212) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025840 k( 213) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025840 k( 214) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025840 k( 215) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025840 k( 216) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025840 k( 217) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025840 k( 218) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025840 k( 219) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0025840 k( 220) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025840 k( 221) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025840 k( 222) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025840 k( 223) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025840 k( 224) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025840 k( 225) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025840 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 228) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025840 k( 229) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025840 k( 230) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025840 k( 231) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025840 k( 232) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025840 k( 233) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025840 k( 234) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025840 k( 235) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025840 k( 236) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025840 k( 237) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025840 k( 238) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025840 k( 239) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025840 k( 240) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025840 k( 241) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025840 k( 242) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025840 k( 243) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025840 k( 244) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025840 k( 245) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025840 k( 246) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025840 k( 247) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025840 k( 248) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025840 k( 249) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025840 k( 250) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025840 k( 251) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025840 k( 252) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025840 k( 253) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025840 k( 254) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025840 k( 255) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025840 k( 256) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025840 k( 257) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025840 k( 258) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025840 k( 259) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025840 k( 260) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025840 k( 261) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025840 k( 262) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025840 k( 263) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025840 k( 264) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025840 k( 265) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025840 k( 266) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025840 k( 267) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025840 k( 268) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025840 k( 269) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025840 k( 270) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025840 k( 271) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025840 k( 272) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0025840 k( 273) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025840 k( 274) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025840 k( 275) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025840 k( 276) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025840 k( 277) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025840 k( 278) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025840 k( 279) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025840 k( 280) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025840 k( 281) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025840 k( 282) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025840 k( 283) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025840 k( 284) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025840 k( 285) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025840 k( 286) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025840 k( 287) = ( 0.5000000 0.2559524 0.7440476), wk = 0.0025840 k( 288) = ( 0.5000000 0.2619048 0.7380952), wk = 0.0025840 k( 289) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0025840 k( 290) = ( 0.5000000 0.2738095 0.7261905), wk = 0.0025840 k( 291) = ( 0.5000000 0.2797619 0.7202381), wk = 0.0025840 k( 292) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0025840 k( 293) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0025840 k( 294) = ( 0.5000000 0.2976190 0.7023810), wk = 0.0025840 k( 295) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0025840 k( 296) = ( 0.5000000 0.3095238 0.6904762), wk = 0.0025840 k( 297) = ( 0.5000000 0.3154762 0.6845238), wk = 0.0025840 k( 298) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0025840 k( 299) = ( 0.5000000 0.3273810 0.6726191), wk = 0.0025840 k( 300) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0025840 k( 301) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0025840 k( 302) = ( 0.5000000 0.3452381 0.6547619), wk = 0.0025840 k( 303) = ( 0.5000000 0.3511905 0.6488095), wk = 0.0025840 k( 304) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0025840 k( 305) = ( 0.5000000 0.3630952 0.6369048), wk = 0.0025840 k( 306) = ( 0.5000000 0.3690476 0.6309524), wk = 0.0025840 k( 307) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0025840 k( 308) = ( 0.5000000 0.3809524 0.6190476), wk = 0.0025840 k( 309) = ( 0.5000000 0.3869048 0.6130952), wk = 0.0025840 k( 310) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0025840 k( 311) = ( 0.5000000 0.3988095 0.6011905), wk = 0.0025840 k( 312) = ( 0.5000000 0.4047619 0.5952381), wk = 0.0025840 k( 313) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0025840 k( 314) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0025840 k( 315) = ( 0.5000000 0.4226190 0.5773810), wk = 0.0025840 k( 316) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0025840 k( 317) = ( 0.5000000 0.4345238 0.5654762), wk = 0.0025840 k( 318) = ( 0.5000000 0.4404762 0.5595238), wk = 0.0025840 k( 319) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0025840 k( 320) = ( 0.5000000 0.4523810 0.5476190), wk = 0.0025840 k( 321) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0025840 k( 322) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0025840 k( 323) = ( 0.5000000 0.4702381 0.5297619), wk = 0.0025840 k( 324) = ( 0.5000000 0.4761905 0.5238095), wk = 0.0025840 k( 325) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0025840 k( 326) = ( 0.5000000 0.4880952 0.5119048), wk = 0.0025840 k( 327) = ( 0.5000000 0.4940476 0.5059524), wk = 0.0025840 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 329) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 330) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025840 k( 331) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025840 k( 332) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025840 k( 333) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025840 k( 334) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025840 k( 335) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025840 k( 336) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025840 k( 337) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025840 k( 338) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025840 k( 339) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025840 k( 340) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025840 k( 341) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025840 k( 342) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025840 k( 343) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025840 k( 344) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025840 k( 345) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025840 k( 346) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025840 k( 347) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025840 k( 348) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025840 k( 349) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025840 k( 350) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025840 k( 351) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025840 k( 352) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025840 k( 353) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025840 k( 354) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025840 k( 355) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025840 k( 356) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025840 k( 357) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025840 k( 358) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025840 k( 359) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025840 k( 360) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025840 k( 361) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025840 k( 362) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025840 k( 363) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025840 k( 364) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025840 k( 365) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025840 k( 366) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025840 k( 367) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025840 k( 368) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025840 k( 369) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025840 k( 370) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025840 k( 371) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025840 k( 372) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025840 k( 373) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025840 k( 374) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025840 k( 375) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025840 k( 376) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025840 k( 377) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025840 k( 378) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025840 k( 379) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025840 k( 380) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025840 k( 381) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025840 k( 382) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025840 k( 383) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025840 k( 384) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025840 k( 385) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025840 k( 386) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025840 k( 387) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 Dense grid: 7391 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 36, 16) NL pseudopotentials 0.01 Mb ( 18, 28) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 156) G-vector shells 0.00 Mb ( 72) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 36, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.01 Mb ( 28, 2, 16) The potential is recalculated from file : ./AlP.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 37.7 secs Computing kpt #: 2 total cpu time spent up to now is 37.8 secs Computing kpt #: 3 total cpu time spent up to now is 37.9 secs Computing kpt #: 4 total cpu time spent up to now is 38.0 secs Computing kpt #: 5 total cpu time spent up to now is 38.1 secs Computing kpt #: 6 total cpu time spent up to now is 38.2 secs Computing kpt #: 7 total cpu time spent up to now is 38.4 secs Computing kpt #: 8 total cpu time spent up to now is 38.5 secs Computing kpt #: 9 total cpu time spent up to now is 38.6 secs Computing kpt #: 10 total cpu time spent up to now is 38.7 secs Computing kpt #: 11 total cpu time spent up to now is 38.8 secs Computing kpt #: 12 total cpu time spent up to now is 39.0 secs Computing kpt #: 13 total cpu time spent up to now is 39.1 secs Computing kpt #: 14 total cpu time spent up to now is 39.2 secs Computing kpt #: 15 total cpu time spent up to now is 39.4 secs Computing kpt #: 16 total cpu time spent up to now is 39.5 secs Computing kpt #: 17 total cpu time spent up to now is 39.6 secs Computing kpt #: 18 total cpu time spent up to now is 39.8 secs Computing kpt #: 19 total cpu time spent up to now is 39.9 secs Computing kpt #: 20 total cpu time spent up to now is 40.0 secs Computing kpt #: 21 total cpu time spent up to now is 40.1 secs Computing kpt #: 22 total cpu time spent up to now is 40.3 secs Computing kpt #: 23 total cpu time spent up to now is 40.4 secs Computing kpt #: 24 total cpu time spent up to now is 40.6 secs Computing kpt #: 25 total cpu time spent up to now is 40.7 secs Computing kpt #: 26 total cpu time spent up to now is 40.8 secs Computing kpt #: 27 total cpu time spent up to now is 41.0 secs Computing kpt #: 28 total cpu time spent up to now is 41.1 secs Computing kpt #: 29 total cpu time spent up to now is 41.2 secs Computing kpt #: 30 total cpu time spent up to now is 41.3 secs Computing kpt #: 31 total cpu time spent up to now is 41.5 secs Computing kpt #: 32 total cpu time spent up to now is 41.7 secs Computing kpt #: 33 total cpu time spent up to now is 41.9 secs Computing kpt #: 34 total cpu time spent up to now is 42.0 secs Computing kpt #: 35 total cpu time spent up to now is 42.2 secs Computing kpt #: 36 total cpu time spent up to now is 42.3 secs Computing kpt #: 37 total cpu time spent up to now is 42.4 secs Computing kpt #: 38 total cpu time spent up to now is 42.6 secs Computing kpt #: 39 total cpu time spent up to now is 42.7 secs Computing kpt #: 40 total cpu time spent up to now is 42.8 secs Computing kpt #: 41 total cpu time spent up to now is 42.9 secs Computing kpt #: 42 total cpu time spent up to now is 43.1 secs Computing kpt #: 43 total cpu time spent up to now is 43.2 secs Computing kpt #: 44 total cpu time spent up to now is 43.3 secs Computing kpt #: 45 total cpu time spent up to now is 43.5 secs Computing kpt #: 46 total cpu time spent up to now is 43.6 secs Computing kpt #: 47 total cpu time spent up to now is 43.7 secs Computing kpt #: 48 total cpu time spent up to now is 43.9 secs Computing kpt #: 49 total cpu time spent up to now is 44.0 secs Computing kpt #: 50 total cpu time spent up to now is 44.1 secs Computing kpt #: 51 total cpu time spent up to now is 44.3 secs Computing kpt #: 52 total cpu time spent up to now is 44.4 secs Computing kpt #: 53 total cpu time spent up to now is 44.6 secs Computing kpt #: 54 total cpu time spent up to now is 44.7 secs Computing kpt #: 55 total cpu time spent up to now is 44.9 secs Computing kpt #: 56 total cpu time spent up to now is 45.1 secs Computing kpt #: 57 total cpu time spent up to now is 45.2 secs Computing kpt #: 58 total cpu time spent up to now is 45.4 secs Computing kpt #: 59 total cpu time spent up to now is 45.7 secs Computing kpt #: 60 total cpu time spent up to now is 45.9 secs Computing kpt #: 61 total cpu time spent up to now is 46.1 secs Computing kpt #: 62 total cpu time spent up to now is 46.2 secs Computing kpt #: 63 total cpu time spent up to now is 46.4 secs Computing kpt #: 64 total cpu time spent up to now is 46.7 secs Computing kpt #: 65 total cpu time spent up to now is 47.1 secs Computing kpt #: 66 total cpu time spent up to now is 47.5 secs Computing kpt #: 67 total cpu time spent up to now is 47.9 secs Computing kpt #: 68 total cpu time spent up to now is 48.2 secs Computing kpt #: 69 total cpu time spent up to now is 48.4 secs Computing kpt #: 70 total cpu time spent up to now is 48.6 secs Computing kpt #: 71 total cpu time spent up to now is 48.8 secs Computing kpt #: 72 total cpu time spent up to now is 49.1 secs Computing kpt #: 73 total cpu time spent up to now is 49.4 secs Computing kpt #: 74 total cpu time spent up to now is 49.6 secs Computing kpt #: 75 total cpu time spent up to now is 49.9 secs Computing kpt #: 76 total cpu time spent up to now is 50.1 secs Computing kpt #: 77 total cpu time spent up to now is 50.3 secs Computing kpt #: 78 total cpu time spent up to now is 50.5 secs Computing kpt #: 79 total cpu time spent up to now is 50.7 secs Computing kpt #: 80 total cpu time spent up to now is 50.8 secs Computing kpt #: 81 total cpu time spent up to now is 51.1 secs Computing kpt #: 82 total cpu time spent up to now is 51.3 secs Computing kpt #: 83 total cpu time spent up to now is 51.6 secs Computing kpt #: 84 total cpu time spent up to now is 51.8 secs Computing kpt #: 85 total cpu time spent up to now is 51.9 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.3 secs Computing kpt #: 88 total cpu time spent up to now is 52.5 secs Computing kpt #: 89 total cpu time spent up to now is 52.6 secs Computing kpt #: 90 total cpu time spent up to now is 52.7 secs Computing kpt #: 91 total cpu time spent up to now is 52.8 secs Computing kpt #: 92 total cpu time spent up to now is 53.0 secs Computing kpt #: 93 total cpu time spent up to now is 53.1 secs Computing kpt #: 94 total cpu time spent up to now is 53.2 secs Computing kpt #: 95 total cpu time spent up to now is 53.4 secs Computing kpt #: 96 total cpu time spent up to now is 53.5 secs Computing kpt #: 97 total cpu time spent up to now is 53.6 secs Computing kpt #: 98 total cpu time spent up to now is 53.8 secs Computing kpt #: 99 total cpu time spent up to now is 53.9 secs Computing kpt #: 100 total cpu time spent up to now is 54.0 secs Computing kpt #: 101 total cpu time spent up to now is 54.2 secs Computing kpt #: 102 total cpu time spent up to now is 54.3 secs Computing kpt #: 103 total cpu time spent up to now is 54.5 secs Computing kpt #: 104 total cpu time spent up to now is 54.7 secs Computing kpt #: 105 total cpu time spent up to now is 54.8 secs Computing kpt #: 106 total cpu time spent up to now is 55.0 secs Computing kpt #: 107 total cpu time spent up to now is 55.2 secs Computing kpt #: 108 total cpu time spent up to now is 55.4 secs Computing kpt #: 109 total cpu time spent up to now is 55.6 secs Computing kpt #: 110 total cpu time spent up to now is 55.8 secs Computing kpt #: 111 total cpu time spent up to now is 56.0 secs Computing kpt #: 112 total cpu time spent up to now is 56.2 secs Computing kpt #: 113 total cpu time spent up to now is 56.4 secs Computing kpt #: 114 total cpu time spent up to now is 56.6 secs Computing kpt #: 115 total cpu time spent up to now is 56.8 secs Computing kpt #: 116 total cpu time spent up to now is 57.0 secs Computing kpt #: 117 total cpu time spent up to now is 57.8 secs Computing kpt #: 118 total cpu time spent up to now is 58.1 secs Computing kpt #: 119 total cpu time spent up to now is 58.4 secs Computing kpt #: 120 total cpu time spent up to now is 58.5 secs Computing kpt #: 121 total cpu time spent up to now is 58.7 secs Computing kpt #: 122 total cpu time spent up to now is 58.9 secs Computing kpt #: 123 total cpu time spent up to now is 59.1 secs Computing kpt #: 124 total cpu time spent up to now is 59.3 secs Computing kpt #: 125 total cpu time spent up to now is 59.6 secs Computing kpt #: 126 total cpu time spent up to now is 59.9 secs Computing kpt #: 127 total cpu time spent up to now is 60.3 secs Computing kpt #: 128 total cpu time spent up to now is 61.0 secs Computing kpt #: 129 total cpu time spent up to now is 61.2 secs Computing kpt #: 130 total cpu time spent up to now is 61.3 secs Computing kpt #: 131 total cpu time spent up to now is 61.6 secs Computing kpt #: 132 total cpu time spent up to now is 61.9 secs Computing kpt #: 133 total cpu time spent up to now is 62.1 secs Computing kpt #: 134 total cpu time spent up to now is 62.4 secs Computing kpt #: 135 total cpu time spent up to now is 62.6 secs Computing kpt #: 136 total cpu time spent up to now is 62.9 secs Computing kpt #: 137 total cpu time spent up to now is 63.1 secs Computing kpt #: 138 total cpu time spent up to now is 63.3 secs Computing kpt #: 139 total cpu time spent up to now is 63.5 secs Computing kpt #: 140 total cpu time spent up to now is 63.7 secs Computing kpt #: 141 total cpu time spent up to now is 63.9 secs Computing kpt #: 142 total cpu time spent up to now is 64.1 secs Computing kpt #: 143 total cpu time spent up to now is 64.4 secs Computing kpt #: 144 total cpu time spent up to now is 64.6 secs Computing kpt #: 145 total cpu time spent up to now is 64.8 secs Computing kpt #: 146 total cpu time spent up to now is 65.1 secs Computing kpt #: 147 total cpu time spent up to now is 65.4 secs Computing kpt #: 148 total cpu time spent up to now is 65.7 secs Computing kpt #: 149 total cpu time spent up to now is 66.1 secs Computing kpt #: 150 total cpu time spent up to now is 66.4 secs Computing kpt #: 151 total cpu time spent up to now is 66.7 secs Computing kpt #: 152 total cpu time spent up to now is 66.9 secs Computing kpt #: 153 total cpu time spent up to now is 67.1 secs Computing kpt #: 154 total cpu time spent up to now is 67.2 secs Computing kpt #: 155 total cpu time spent up to now is 67.4 secs Computing kpt #: 156 total cpu time spent up to now is 67.6 secs Computing kpt #: 157 total cpu time spent up to now is 67.7 secs Computing kpt #: 158 total cpu time spent up to now is 68.0 secs Computing kpt #: 159 total cpu time spent up to now is 68.5 secs Computing kpt #: 160 total cpu time spent up to now is 69.0 secs Computing kpt #: 161 total cpu time spent up to now is 69.2 secs Computing kpt #: 162 total cpu time spent up to now is 69.3 secs Computing kpt #: 163 total cpu time spent up to now is 69.5 secs Computing kpt #: 164 total cpu time spent up to now is 69.6 secs Computing kpt #: 165 total cpu time spent up to now is 69.7 secs Computing kpt #: 166 total cpu time spent up to now is 69.8 secs Computing kpt #: 167 total cpu time spent up to now is 69.9 secs Computing kpt #: 168 total cpu time spent up to now is 70.0 secs Computing kpt #: 169 total cpu time spent up to now is 70.1 secs Computing kpt #: 170 total cpu time spent up to now is 70.2 secs Computing kpt #: 171 total cpu time spent up to now is 70.4 secs Computing kpt #: 172 total cpu time spent up to now is 70.5 secs Computing kpt #: 173 total cpu time spent up to now is 70.6 secs Computing kpt #: 174 total cpu time spent up to now is 70.7 secs Computing kpt #: 175 total cpu time spent up to now is 70.8 secs Computing kpt #: 176 total cpu time spent up to now is 70.9 secs Computing kpt #: 177 total cpu time spent up to now is 71.0 secs Computing kpt #: 178 total cpu time spent up to now is 71.2 secs Computing kpt #: 179 total cpu time spent up to now is 71.6 secs Computing kpt #: 180 total cpu time spent up to now is 71.9 secs Computing kpt #: 181 total cpu time spent up to now is 72.3 secs Computing kpt #: 182 total cpu time spent up to now is 72.5 secs Computing kpt #: 183 total cpu time spent up to now is 72.7 secs Computing kpt #: 184 total cpu time spent up to now is 72.8 secs Computing kpt #: 185 total cpu time spent up to now is 73.0 secs Computing kpt #: 186 total cpu time spent up to now is 73.3 secs Computing kpt #: 187 total cpu time spent up to now is 73.6 secs Computing kpt #: 188 total cpu time spent up to now is 73.9 secs Computing kpt #: 189 total cpu time spent up to now is 74.0 secs Computing kpt #: 190 total cpu time spent up to now is 74.3 secs Computing kpt #: 191 total cpu time spent up to now is 74.8 secs Computing kpt #: 192 total cpu time spent up to now is 75.1 secs Computing kpt #: 193 total cpu time spent up to now is 75.2 secs Computing kpt #: 194 total cpu time spent up to now is 75.4 secs Computing kpt #: 195 total cpu time spent up to now is 75.6 secs Computing kpt #: 196 total cpu time spent up to now is 75.8 secs Computing kpt #: 197 total cpu time spent up to now is 75.9 secs Computing kpt #: 198 total cpu time spent up to now is 76.1 secs Computing kpt #: 199 total cpu time spent up to now is 76.3 secs Computing kpt #: 200 total cpu time spent up to now is 76.5 secs Computing kpt #: 201 total cpu time spent up to now is 76.7 secs Computing kpt #: 202 total cpu time spent up to now is 76.8 secs Computing kpt #: 203 total cpu time spent up to now is 77.0 secs Computing kpt #: 204 total cpu time spent up to now is 77.1 secs Computing kpt #: 205 total cpu time spent up to now is 77.3 secs Computing kpt #: 206 total cpu time spent up to now is 77.4 secs Computing kpt #: 207 total cpu time spent up to now is 77.5 secs Computing kpt #: 208 total cpu time spent up to now is 77.6 secs Computing kpt #: 209 total cpu time spent up to now is 77.8 secs Computing kpt #: 210 total cpu time spent up to now is 77.9 secs Computing kpt #: 211 total cpu time spent up to now is 78.0 secs Computing kpt #: 212 total cpu time spent up to now is 78.2 secs Computing kpt #: 213 total cpu time spent up to now is 78.3 secs Computing kpt #: 214 total cpu time spent up to now is 78.4 secs Computing kpt #: 215 total cpu time spent up to now is 78.6 secs Computing kpt #: 216 total cpu time spent up to now is 78.7 secs Computing kpt #: 217 total cpu time spent up to now is 78.8 secs Computing kpt #: 218 total cpu time spent up to now is 79.0 secs Computing kpt #: 219 total cpu time spent up to now is 79.1 secs Computing kpt #: 220 total cpu time spent up to now is 79.2 secs Computing kpt #: 221 total cpu time spent up to now is 79.3 secs Computing kpt #: 222 total cpu time spent up to now is 79.5 secs Computing kpt #: 223 total cpu time spent up to now is 79.6 secs Computing kpt #: 224 total cpu time spent up to now is 79.8 secs Computing kpt #: 225 total cpu time spent up to now is 79.9 secs Computing kpt #: 226 total cpu time spent up to now is 80.1 secs Computing kpt #: 227 total cpu time spent up to now is 80.4 secs Computing kpt #: 228 total cpu time spent up to now is 80.7 secs Computing kpt #: 229 total cpu time spent up to now is 80.9 secs Computing kpt #: 230 total cpu time spent up to now is 81.1 secs Computing kpt #: 231 total cpu time spent up to now is 81.2 secs Computing kpt #: 232 total cpu time spent up to now is 81.6 secs Computing kpt #: 233 total cpu time spent up to now is 82.1 secs Computing kpt #: 234 total cpu time spent up to now is 82.3 secs Computing kpt #: 235 total cpu time spent up to now is 82.5 secs Computing kpt #: 236 total cpu time spent up to now is 82.7 secs Computing kpt #: 237 total cpu time spent up to now is 82.9 secs Computing kpt #: 238 total cpu time spent up to now is 83.1 secs Computing kpt #: 239 total cpu time spent up to now is 83.4 secs Computing kpt #: 240 total cpu time spent up to now is 83.7 secs Computing kpt #: 241 total cpu time spent up to now is 84.0 secs Computing kpt #: 242 total cpu time spent up to now is 84.2 secs Computing kpt #: 243 total cpu time spent up to now is 84.6 secs Computing kpt #: 244 total cpu time spent up to now is 84.8 secs Computing kpt #: 245 total cpu time spent up to now is 85.0 secs Computing kpt #: 246 total cpu time spent up to now is 85.3 secs Computing kpt #: 247 total cpu time spent up to now is 85.5 secs Computing kpt #: 248 total cpu time spent up to now is 85.8 secs Computing kpt #: 249 total cpu time spent up to now is 86.0 secs Computing kpt #: 250 total cpu time spent up to now is 86.3 secs Computing kpt #: 251 total cpu time spent up to now is 86.5 secs Computing kpt #: 252 total cpu time spent up to now is 86.8 secs Computing kpt #: 253 total cpu time spent up to now is 87.1 secs Computing kpt #: 254 total cpu time spent up to now is 87.5 secs Computing kpt #: 255 total cpu time spent up to now is 87.8 secs Computing kpt #: 256 total cpu time spent up to now is 88.1 secs Computing kpt #: 257 total cpu time spent up to now is 88.5 secs Computing kpt #: 258 total cpu time spent up to now is 89.1 secs Computing kpt #: 259 total cpu time spent up to now is 89.6 secs Computing kpt #: 260 total cpu time spent up to now is 90.0 secs Computing kpt #: 261 total cpu time spent up to now is 90.5 secs Computing kpt #: 262 total cpu time spent up to now is 90.9 secs Computing kpt #: 263 total cpu time spent up to now is 91.2 secs Computing kpt #: 264 total cpu time spent up to now is 91.7 secs Computing kpt #: 265 total cpu time spent up to now is 92.2 secs Computing kpt #: 266 total cpu time spent up to now is 92.6 secs Computing kpt #: 267 total cpu time spent up to now is 93.0 secs Computing kpt #: 268 total cpu time spent up to now is 93.3 secs Computing kpt #: 269 total cpu time spent up to now is 93.5 secs Computing kpt #: 270 total cpu time spent up to now is 93.7 secs Computing kpt #: 271 total cpu time spent up to now is 93.9 secs Computing kpt #: 272 total cpu time spent up to now is 94.2 secs Computing kpt #: 273 total cpu time spent up to now is 94.3 secs Computing kpt #: 274 total cpu time spent up to now is 94.5 secs Computing kpt #: 275 total cpu time spent up to now is 94.6 secs Computing kpt #: 276 total cpu time spent up to now is 94.8 secs Computing kpt #: 277 total cpu time spent up to now is 94.9 secs Computing kpt #: 278 total cpu time spent up to now is 95.0 secs Computing kpt #: 279 total cpu time spent up to now is 95.2 secs Computing kpt #: 280 total cpu time spent up to now is 95.3 secs Computing kpt #: 281 total cpu time spent up to now is 95.4 secs Computing kpt #: 282 total cpu time spent up to now is 95.5 secs Computing kpt #: 283 total cpu time spent up to now is 95.7 secs Computing kpt #: 284 total cpu time spent up to now is 95.8 secs Computing kpt #: 285 total cpu time spent up to now is 95.9 secs Computing kpt #: 286 total cpu time spent up to now is 96.0 secs Computing kpt #: 287 total cpu time spent up to now is 96.2 secs Computing kpt #: 288 total cpu time spent up to now is 96.3 secs Computing kpt #: 289 total cpu time spent up to now is 96.4 secs Computing kpt #: 290 total cpu time spent up to now is 96.6 secs Computing kpt #: 291 total cpu time spent up to now is 96.7 secs Computing kpt #: 292 total cpu time spent up to now is 96.8 secs Computing kpt #: 293 total cpu time spent up to now is 96.9 secs Computing kpt #: 294 total cpu time spent up to now is 97.1 secs Computing kpt #: 295 total cpu time spent up to now is 97.2 secs Computing kpt #: 296 total cpu time spent up to now is 97.4 secs Computing kpt #: 297 total cpu time spent up to now is 97.7 secs Computing kpt #: 298 total cpu time spent up to now is 98.1 secs Computing kpt #: 299 total cpu time spent up to now is 98.3 secs Computing kpt #: 300 total cpu time spent up to now is 98.5 secs Computing kpt #: 301 total cpu time spent up to now is 98.8 secs Computing kpt #: 302 total cpu time spent up to now is 99.0 secs Computing kpt #: 303 total cpu time spent up to now is 99.2 secs Computing kpt #: 304 total cpu time spent up to now is 99.4 secs Computing kpt #: 305 total cpu time spent up to now is 99.9 secs Computing kpt #: 306 total cpu time spent up to now is 100.2 secs Computing kpt #: 307 total cpu time spent up to now is 100.6 secs Computing kpt #: 308 total cpu time spent up to now is 100.8 secs Computing kpt #: 309 total cpu time spent up to now is 101.0 secs Computing kpt #: 310 total cpu time spent up to now is 101.2 secs Computing kpt #: 311 total cpu time spent up to now is 101.4 secs Computing kpt #: 312 total cpu time spent up to now is 101.6 secs Computing kpt #: 313 total cpu time spent up to now is 102.0 secs Computing kpt #: 314 total cpu time spent up to now is 102.4 secs Computing kpt #: 315 total cpu time spent up to now is 102.7 secs Computing kpt #: 316 total cpu time spent up to now is 102.9 secs Computing kpt #: 317 total cpu time spent up to now is 103.1 secs Computing kpt #: 318 total cpu time spent up to now is 103.3 secs Computing kpt #: 319 total cpu time spent up to now is 103.5 secs Computing kpt #: 320 total cpu time spent up to now is 103.8 secs Computing kpt #: 321 total cpu time spent up to now is 104.1 secs Computing kpt #: 322 total cpu time spent up to now is 104.3 secs Computing kpt #: 323 total cpu time spent up to now is 104.4 secs Computing kpt #: 324 total cpu time spent up to now is 104.6 secs Computing kpt #: 325 total cpu time spent up to now is 104.8 secs Computing kpt #: 326 total cpu time spent up to now is 104.9 secs Computing kpt #: 327 total cpu time spent up to now is 105.0 secs Computing kpt #: 328 total cpu time spent up to now is 105.3 secs Computing kpt #: 329 total cpu time spent up to now is 105.4 secs Computing kpt #: 330 total cpu time spent up to now is 105.6 secs Computing kpt #: 331 total cpu time spent up to now is 105.7 secs Computing kpt #: 332 total cpu time spent up to now is 105.8 secs Computing kpt #: 333 total cpu time spent up to now is 106.0 secs Computing kpt #: 334 total cpu time spent up to now is 106.1 secs Computing kpt #: 335 total cpu time spent up to now is 106.3 secs Computing kpt #: 336 total cpu time spent up to now is 106.4 secs Computing kpt #: 337 total cpu time spent up to now is 106.5 secs Computing kpt #: 338 total cpu time spent up to now is 106.7 secs Computing kpt #: 339 total cpu time spent up to now is 106.8 secs Computing kpt #: 340 total cpu time spent up to now is 106.9 secs Computing kpt #: 341 total cpu time spent up to now is 107.1 secs Computing kpt #: 342 total cpu time spent up to now is 107.2 secs Computing kpt #: 343 total cpu time spent up to now is 107.6 secs Computing kpt #: 344 total cpu time spent up to now is 108.0 secs Computing kpt #: 345 total cpu time spent up to now is 108.5 secs Computing kpt #: 346 total cpu time spent up to now is 108.9 secs Computing kpt #: 347 total cpu time spent up to now is 109.2 secs Computing kpt #: 348 total cpu time spent up to now is 109.6 secs Computing kpt #: 349 total cpu time spent up to now is 110.0 secs Computing kpt #: 350 total cpu time spent up to now is 110.4 secs Computing kpt #: 351 total cpu time spent up to now is 110.8 secs Computing kpt #: 352 total cpu time spent up to now is 111.4 secs Computing kpt #: 353 total cpu time spent up to now is 111.8 secs Computing kpt #: 354 total cpu time spent up to now is 112.2 secs Computing kpt #: 355 total cpu time spent up to now is 112.5 secs Computing kpt #: 356 total cpu time spent up to now is 112.7 secs Computing kpt #: 357 total cpu time spent up to now is 113.1 secs Computing kpt #: 358 total cpu time spent up to now is 113.3 secs Computing kpt #: 359 total cpu time spent up to now is 113.5 secs Computing kpt #: 360 total cpu time spent up to now is 113.6 secs Computing kpt #: 361 total cpu time spent up to now is 113.8 secs Computing kpt #: 362 total cpu time spent up to now is 114.0 secs Computing kpt #: 363 total cpu time spent up to now is 114.1 secs Computing kpt #: 364 total cpu time spent up to now is 114.3 secs Computing kpt #: 365 total cpu time spent up to now is 114.5 secs Computing kpt #: 366 total cpu time spent up to now is 114.7 secs Computing kpt #: 367 total cpu time spent up to now is 114.9 secs Computing kpt #: 368 total cpu time spent up to now is 115.2 secs Computing kpt #: 369 total cpu time spent up to now is 115.3 secs Computing kpt #: 370 total cpu time spent up to now is 115.6 secs Computing kpt #: 371 total cpu time spent up to now is 115.8 secs Computing kpt #: 372 total cpu time spent up to now is 116.0 secs Computing kpt #: 373 total cpu time spent up to now is 116.7 secs Computing kpt #: 374 total cpu time spent up to now is 117.2 secs Computing kpt #: 375 total cpu time spent up to now is 117.6 secs Computing kpt #: 376 total cpu time spent up to now is 117.8 secs Computing kpt #: 377 total cpu time spent up to now is 118.0 secs Computing kpt #: 378 total cpu time spent up to now is 118.3 secs Computing kpt #: 379 total cpu time spent up to now is 118.5 secs Computing kpt #: 380 total cpu time spent up to now is 118.8 secs Computing kpt #: 381 total cpu time spent up to now is 119.0 secs Computing kpt #: 382 total cpu time spent up to now is 119.2 secs Computing kpt #: 383 total cpu time spent up to now is 119.4 secs Computing kpt #: 384 total cpu time spent up to now is 119.6 secs Computing kpt #: 385 total cpu time spent up to now is 119.8 secs Computing kpt #: 386 total cpu time spent up to now is 120.0 secs Computing kpt #: 387 total cpu time spent up to now is 120.1 secs ethr = 1.25E-10, avg # of iterations = 20.8 total cpu time spent up to now is 120.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.4009 -6.4009 5.2049 5.2049 5.2656 5.2656 5.2656 5.2656 8.7454 8.7454 9.8308 9.8308 9.8590 9.8590 9.8590 9.8590 k = 0.0086-0.0050 0.0070 ( 941 PWs) bands (ev): -6.3998 -6.3998 5.2006 5.2006 5.2599 5.2599 5.2628 5.2628 8.7531 8.7531 9.8320 9.8320 9.8586 9.8586 9.8633 9.8633 k = 0.0172-0.0100 0.0141 ( 941 PWs) bands (ev): -6.3964 -6.3964 5.1869 5.1869 5.2438 5.2438 5.2543 5.2543 8.7761 8.7761 9.8292 9.8292 9.8638 9.8638 9.8762 9.8762 k = 0.0259-0.0149 0.0211 ( 941 PWs) bands (ev): -6.3907 -6.3907 5.1611 5.1611 5.2206 5.2206 5.2403 5.2403 8.8138 8.8138 9.8151 9.8151 9.8820 9.8820 9.8976 9.8976 k = 0.0345-0.0199 0.0282 ( 941 PWs) bands (ev): -6.3827 -6.3827 5.1206 5.1206 5.1941 5.1941 5.2210 5.2210 8.8650 8.8650 9.7919 9.7919 9.9109 9.9109 9.9273 9.9273 k = 0.0431-0.0249 0.0352 ( 941 PWs) bands (ev): -6.3725 -6.3725 5.0655 5.0655 5.1656 5.1656 5.1966 5.1966 8.9285 8.9285 9.7616 9.7616 9.9486 9.9486 9.9651 9.9651 k = 0.0517-0.0299 0.0422 ( 941 PWs) bands (ev): -6.3600 -6.3600 4.9979 4.9979 5.1343 5.1343 5.1674 5.1674 9.0028 9.0028 9.7250 9.7250 9.9944 9.9944 10.0106 10.0106 k = 0.0603-0.0348 0.0493 ( 933 PWs) bands (ev): -6.3453 -6.3453 4.9201 4.9201 5.0996 5.0996 5.1338 5.1338 9.0864 9.0864 9.6827 9.6827 10.0480 10.0480 10.0638 10.0638 k = 0.0690-0.0398 0.0563 ( 933 PWs) bands (ev): -6.3283 -6.3283 4.8337 4.8337 5.0615 5.0615 5.0960 5.0960 9.1774 9.1774 9.6350 9.6350 10.1087 10.1087 10.1238 10.1238 k = 0.0776-0.0448 0.0633 ( 933 PWs) bands (ev): -6.3091 -6.3091 4.7401 4.7401 5.0199 5.0199 5.0544 5.0544 9.2742 9.2742 9.5825 9.5825 10.1762 10.1762 10.1906 10.1906 k = 0.0862-0.0498 0.0704 ( 933 PWs) bands (ev): -6.2877 -6.2877 4.6404 4.6404 4.9753 4.9753 5.0095 5.0095 9.3750 9.3750 9.5258 9.5258 10.2500 10.2500 10.2637 10.2637 k = 0.0948-0.0547 0.0774 ( 933 PWs) bands (ev): -6.2641 -6.2641 4.5357 4.5357 4.9278 4.9278 4.9617 4.9617 9.4650 9.4650 9.4781 9.4781 10.3298 10.3298 10.3428 10.3428 k = 0.1034-0.0597 0.0845 ( 937 PWs) bands (ev): -6.2383 -6.2383 4.4267 4.4267 4.8778 4.8778 4.9112 4.9112 9.4011 9.4011 9.5810 9.5810 10.4151 10.4151 10.4272 10.4272 k = 0.1121-0.0647 0.0915 ( 937 PWs) bands (ev): -6.2103 -6.2103 4.3142 4.3142 4.8256 4.8256 4.8585 4.8585 9.3342 9.3342 9.6818 9.6818 10.5057 10.5057 10.5170 10.5170 k = 0.1207-0.0697 0.0985 ( 937 PWs) bands (ev): -6.1802 -6.1802 4.1987 4.1987 4.7717 4.7717 4.8039 4.8039 9.2647 9.2647 9.7777 9.7777 10.6011 10.6011 10.6116 10.6116 k = 0.1293-0.0747 0.1056 ( 937 PWs) bands (ev): -6.1479 -6.1479 4.0809 4.0809 4.7161 4.7161 4.7478 4.7478 9.1932 9.1932 9.8658 9.8658 10.7011 10.7011 10.7108 10.7108 k = 0.1379-0.0796 0.1126 ( 937 PWs) bands (ev): -6.1135 -6.1135 3.9611 3.9611 4.6593 4.6593 4.6904 4.6904 9.1198 9.1198 9.9426 9.9426 10.8052 10.8052 10.8140 10.8140 k = 0.1466-0.0846 0.1197 ( 937 PWs) bands (ev): -6.0771 -6.0771 3.8397 3.8397 4.6016 4.6016 4.6320 4.6320 9.0451 9.0451 10.0044 10.0044 10.9131 10.9131 10.9212 10.9212 k = 0.1552-0.0896 0.1267 ( 929 PWs) bands (ev): -6.0386 -6.0386 3.7170 3.7170 4.5432 4.5432 4.5730 4.5730 8.9692 8.9692 10.0478 10.0478 11.0249 11.0249 11.0321 11.0321 k = 0.1638-0.0946 0.1337 ( 929 PWs) bands (ev): -5.9981 -5.9981 3.5933 3.5933 4.4843 4.4843 4.5135 4.5135 8.8925 8.8925 10.0698 10.0698 11.1397 11.1397 11.1462 11.1462 k = 0.1724-0.0995 0.1408 ( 929 PWs) bands (ev): -5.9556 -5.9556 3.4689 3.4689 4.4251 4.4251 4.4537 4.4537 8.8151 8.8151 10.0688 10.0688 11.2576 11.2576 11.2634 11.2634 k = 0.1810-0.1045 0.1478 ( 934 PWs) bands (ev): -5.9111 -5.9111 3.3438 3.3438 4.3659 4.3659 4.3939 4.3939 8.7373 8.7373 10.0449 10.0449 11.3782 11.3782 11.3833 11.3833 k = 0.1897-0.1095 0.1549 ( 934 PWs) bands (ev): -5.8648 -5.8648 3.2184 3.2184 4.3069 4.3069 4.3343 4.3343 8.6594 8.6594 10.0002 10.0002 11.5015 11.5015 11.5060 11.5060 k = 0.1983-0.1145 0.1619 ( 926 PWs) bands (ev): -5.8165 -5.8165 3.0928 3.0928 4.2483 4.2483 4.2752 4.2752 8.5817 8.5817 9.9376 9.9376 11.6278 11.6278 11.6317 11.6317 k = 0.2069-0.1195 0.1689 ( 934 PWs) bands (ev): -5.7665 -5.7665 2.9671 2.9671 4.1900 4.1900 4.2164 4.2164 8.5037 8.5037 9.8604 9.8604 11.7555 11.7555 11.7590 11.7590 k = 0.2155-0.1244 0.1760 ( 934 PWs) bands (ev): -5.7147 -5.7147 2.8414 2.8414 4.1324 4.1324 4.1583 4.1583 8.4263 8.4263 9.7723 9.7723 11.8856 11.8856 11.8887 11.8887 k = 0.2241-0.1294 0.1830 ( 934 PWs) bands (ev): -5.6612 -5.6612 2.7159 2.7159 4.0756 4.0756 4.1010 4.1010 8.3493 8.3493 9.6763 9.6763 12.0176 12.0176 12.0205 12.0205 k = 0.2328-0.1344 0.1900 ( 950 PWs) bands (ev): -5.6061 -5.6061 2.5907 2.5907 4.0196 4.0196 4.0445 4.0445 8.2727 8.2727 9.5748 9.5748 12.1502 12.1502 12.1531 12.1531 k = 0.2414-0.1394 0.1971 ( 950 PWs) bands (ev): -5.5493 -5.5493 2.4659 2.4659 3.9646 3.9646 3.9891 3.9891 8.1970 8.1970 9.4703 9.4703 12.2856 12.2856 12.2886 12.2886 k = 0.2500-0.1443 0.2041 ( 950 PWs) bands (ev): -5.4911 -5.4911 2.3416 2.3416 3.9107 3.9107 3.9348 3.9348 8.1220 8.1220 9.3642 9.3642 12.4226 12.4226 12.4259 12.4259 k = 0.2586-0.1493 0.2112 ( 950 PWs) bands (ev): -5.4315 -5.4315 2.2179 2.2179 3.8581 3.8581 3.8817 3.8817 8.0478 8.0478 9.2579 9.2579 12.5610 12.5610 12.5647 12.5647 k = 0.2672-0.1543 0.2182 ( 946 PWs) bands (ev): -5.3705 -5.3705 2.0950 2.0950 3.8067 3.8067 3.8300 3.8300 7.9746 7.9746 9.1528 9.1528 12.7010 12.7010 12.7051 12.7051 k = 0.2759-0.1593 0.2252 ( 938 PWs) bands (ev): -5.3083 -5.3083 1.9729 1.9729 3.7566 3.7566 3.7796 3.7796 7.9025 7.9025 9.0496 9.0496 12.8428 12.8428 12.8473 12.8473 k = 0.2845-0.1642 0.2323 ( 938 PWs) bands (ev): -5.2450 -5.2450 1.8517 1.8517 3.7080 3.7080 3.7306 3.7306 7.8313 7.8313 8.9484 8.9484 12.9854 12.9854 12.9903 12.9903 k = 0.2931-0.1692 0.2393 ( 938 PWs) bands (ev): -5.1807 -5.1807 1.7317 1.7317 3.6609 3.6609 3.6832 3.6832 7.7612 7.7612 8.8502 8.8502 13.1294 13.1294 13.1348 13.1348 k = 0.3017-0.1742 0.2464 ( 938 PWs) bands (ev): -5.1155 -5.1155 1.6129 1.6129 3.6153 3.6153 3.6373 3.6373 7.6925 7.6925 8.7554 8.7554 13.2744 13.2744 13.2802 13.2802 k = 0.3103-0.1792 0.2534 ( 938 PWs) bands (ev): -5.0496 -5.0496 1.4956 1.4956 3.5714 3.5714 3.5930 3.5930 7.6252 7.6252 8.6643 8.6643 13.4205 13.4205 13.4268 13.4268 k = 0.3190-0.1842 0.2604 ( 942 PWs) bands (ev): -4.9831 -4.9831 1.3798 1.3798 3.5291 3.5291 3.5504 3.5504 7.5595 7.5595 8.5771 8.5771 13.5674 13.5674 13.5741 13.5741 k = 0.3276-0.1891 0.2675 ( 950 PWs) bands (ev): -4.9162 -4.9162 1.2657 1.2657 3.4884 3.4884 3.5096 3.5096 7.4951 7.4951 8.4939 8.4939 13.7151 13.7151 13.7222 13.7222 k = 0.3362-0.1941 0.2745 ( 950 PWs) bands (ev): -4.8492 -4.8492 1.1537 1.1537 3.4496 3.4496 3.4705 3.4705 7.4328 7.4328 8.4152 8.4152 13.8644 13.8644 13.8719 13.8719 k = 0.3448-0.1991 0.2816 ( 942 PWs) bands (ev): -4.7821 -4.7821 1.0438 1.0438 3.4126 3.4126 3.4332 3.4332 7.3725 7.3725 8.3411 8.3411 14.0154 14.0154 14.0234 14.0234 k = 0.3534-0.2041 0.2886 ( 934 PWs) bands (ev): -4.7153 -4.7153 0.9364 0.9364 3.3773 3.3773 3.3977 3.3977 7.3143 7.3143 8.2716 8.2716 14.1667 14.1667 14.1750 14.1750 k = 0.3621-0.2090 0.2956 ( 934 PWs) bands (ev): -4.6490 -4.6490 0.8318 0.8318 3.3439 3.3439 3.3641 3.3641 7.2582 7.2582 8.2062 8.2062 14.3187 14.3187 14.3273 14.3273 k = 0.3707-0.2140 0.3027 ( 942 PWs) bands (ev): -4.5835 -4.5835 0.7301 0.7301 3.3124 3.3124 3.3324 3.3324 7.2044 7.2044 8.1451 8.1451 14.4711 14.4711 14.4801 14.4801 k = 0.3793-0.2190 0.3097 ( 942 PWs) bands (ev): -4.5192 -4.5192 0.6319 0.6319 3.2828 3.2828 3.3027 3.3027 7.1533 7.1533 8.0884 8.0884 14.6246 14.6246 14.6340 14.6340 k = 0.3879-0.2240 0.3167 ( 938 PWs) bands (ev): -4.4563 -4.4563 0.5373 0.5373 3.2552 3.2552 3.2749 3.2749 7.1051 7.1051 8.0361 8.0361 14.7790 14.7790 14.7887 14.7887 k = 0.3966-0.2289 0.3238 ( 942 PWs) bands (ev): -4.3952 -4.3952 0.4469 0.4469 3.2295 3.2295 3.2491 3.2491 7.0594 7.0594 7.9879 7.9879 14.9336 14.9336 14.9436 14.9436 k = 0.4052-0.2339 0.3308 ( 942 PWs) bands (ev): -4.3364 -4.3364 0.3610 0.3610 3.2059 3.2059 3.2253 3.2253 7.0170 7.0170 7.9440 7.9440 15.0888 15.0888 15.0991 15.0991 k = 0.4138-0.2389 0.3379 ( 950 PWs) bands (ev): -4.2804 -4.2804 0.2801 0.2801 3.1842 3.1842 3.2034 3.2034 6.9775 6.9775 7.9042 7.9042 15.2437 15.2437 15.2543 15.2543 k = 0.4224-0.2439 0.3449 ( 950 PWs) bands (ev): -4.2274 -4.2274 0.2047 0.2047 3.1645 3.1645 3.1837 3.1837 6.9416 6.9416 7.8684 7.8684 15.3990 15.3990 15.4099 15.4099 k = 0.4310-0.2489 0.3519 ( 950 PWs) bands (ev): -4.1782 -4.1782 0.1353 0.1353 3.1469 3.1469 3.1659 3.1659 6.9092 6.9092 7.8366 7.8366 15.5539 15.5539 15.5650 15.5650 k = 0.4397-0.2538 0.3590 ( 950 PWs) bands (ev): -4.1331 -4.1331 0.0724 0.0724 3.1313 3.1313 3.1502 3.1502 6.8803 6.8803 7.8088 7.8088 15.7077 15.7077 15.7192 15.7192 k = 0.4483-0.2588 0.3660 ( 950 PWs) bands (ev): -4.0927 -4.0927 0.0165 0.0165 3.1177 3.1177 3.1366 3.1366 6.8551 6.8551 7.7847 7.7847 15.8597 15.8597 15.8715 15.8715 k = 0.4569-0.2638 0.3731 ( 942 PWs) bands (ev): -4.0574 -4.0574 -0.0318 -0.0318 3.1063 3.1063 3.1251 3.1251 6.8337 6.8337 7.7647 7.7647 16.0090 16.0090 16.0211 16.0211 k = 0.4655-0.2688 0.3801 ( 942 PWs) bands (ev): -4.0279 -4.0279 -0.0722 -0.0722 3.0969 3.0969 3.1157 3.1157 6.8160 6.8160 7.7482 7.7482 16.1518 16.1518 16.1643 16.1643 k = 0.4741-0.2737 0.3871 ( 942 PWs) bands (ev): -4.0044 -4.0044 -0.1040 -0.1040 3.0896 3.0896 3.1083 3.1083 6.8022 6.8022 7.7353 7.7353 16.2844 16.2844 16.2973 16.2973 k = 0.4828-0.2787 0.3942 ( 942 PWs) bands (ev): -3.9873 -3.9873 -0.1271 -0.1271 3.0843 3.0843 3.1031 3.1031 6.7924 6.7924 7.7262 7.7262 16.3987 16.3987 16.4121 16.4121 k = 0.4914-0.2837 0.4012 ( 942 PWs) bands (ev): -3.9770 -3.9770 -0.1410 -0.1410 3.0812 3.0812 3.0999 3.0999 6.7864 6.7864 7.7208 7.7208 16.4807 16.4807 16.4946 16.4946 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -3.9735 -3.9735 -0.1457 -0.1457 3.0801 3.0801 3.0988 3.0988 6.7844 6.7844 7.7190 7.7190 16.5117 16.5117 16.5258 16.5258 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -3.9735 -3.9735 -0.1457 -0.1457 3.0801 3.0801 3.0988 3.0988 6.7844 6.7844 7.7190 7.7190 16.5117 16.5117 16.5258 16.5258 k = 0.5000-0.2787 0.4153 ( 938 PWs) bands (ev): -3.9734 -3.9733 -0.1450 -0.1445 3.0764 3.0775 3.0953 3.0959 6.7905 6.7908 7.7249 7.7256 16.4912 16.4928 16.5173 16.5192 k = 0.5000-0.2688 0.4223 ( 942 PWs) bands (ev): -3.9730 -3.9728 -0.1425 -0.1416 3.0661 3.0683 3.0855 3.0866 6.8088 6.8096 7.7434 7.7447 16.4208 16.4233 16.5054 16.5105 k = 0.5000-0.2588 0.4294 ( 942 PWs) bands (ev): -3.9723 -3.9719 -0.1382 -0.1369 3.0494 3.0527 3.0698 3.0713 6.8393 6.8404 7.7742 7.7762 16.3091 16.3125 16.4819 16.4919 k = 0.5000-0.2489 0.4364 ( 946 PWs) bands (ev): -3.9713 -3.9708 -0.1322 -0.1305 3.0261 3.0307 3.0490 3.0509 6.8815 6.8829 7.8169 7.8195 16.1655 16.1696 16.4300 16.4474 k = 0.5000-0.2389 0.4434 ( 950 PWs) bands (ev): -3.9701 -3.9695 -0.1245 -0.1223 2.9966 3.0022 3.0236 3.0259 6.9350 6.9368 7.8712 7.8744 15.9984 16.0031 16.3259 16.3485 k = 0.5000-0.2289 0.4505 ( 950 PWs) bands (ev): -3.9686 -3.9678 -0.1150 -0.1124 2.9612 2.9679 2.9945 2.9972 6.9993 7.0013 7.9367 7.9405 15.8145 15.8198 16.1699 16.1919 k = 0.5000-0.2190 0.4575 ( 950 PWs) bands (ev): -3.9668 -3.9659 -0.1040 -0.1008 2.9205 2.9282 2.9621 2.9652 7.0737 7.0760 8.0128 8.0171 15.6188 15.6244 15.9842 16.0039 k = 0.5000-0.2090 0.4646 ( 950 PWs) bands (ev): -3.9648 -3.9638 -0.0913 -0.0876 2.8753 2.8839 2.9269 2.9305 7.1575 7.1600 8.0988 8.1036 15.4147 15.4205 15.7843 15.8020 k = 0.5000-0.1991 0.4716 ( 950 PWs) bands (ev): -3.9626 -3.9615 -0.0771 -0.0729 2.8262 2.8356 2.8897 2.8936 7.2501 7.2528 8.1942 8.1995 15.2047 15.2109 15.5770 15.5934 k = 0.5000-0.1891 0.4786 ( 948 PWs) bands (ev): -3.9602 -3.9590 -0.0614 -0.0568 2.7739 2.7842 2.8508 2.8552 7.3508 7.3536 8.2984 8.3041 14.9910 14.9973 15.3657 15.3809 k = 0.5000-0.1792 0.4857 ( 956 PWs) bands (ev): -3.9576 -3.9563 -0.0445 -0.0393 2.7192 2.7302 2.8109 2.8157 7.4589 7.4618 8.4105 8.4166 14.7742 14.7808 15.1516 15.1660 k = 0.5000-0.1692 0.4927 ( 952 PWs) bands (ev): -3.9550 -3.9535 -0.0262 -0.0205 2.6626 2.6744 2.7706 2.7757 7.5738 7.5767 8.5308 8.5372 14.5566 14.5633 14.9365 14.9502 k = 0.5000-0.1593 0.4998 ( 952 PWs) bands (ev): -3.9522 -3.9507 -0.0069 -0.0007 2.6047 2.6174 2.7302 2.7356 7.6948 7.6978 8.6579 8.6646 14.3384 14.3454 14.7202 14.7334 k = 0.5000-0.1493 0.5068 ( 946 PWs) bands (ev): -3.9494 -3.9478 0.0133 0.0202 2.5463 2.5597 2.6903 2.6960 7.8214 7.8244 8.7918 8.7989 14.1209 14.1280 14.5040 14.5167 k = 0.5000-0.1394 0.5138 ( 946 PWs) bands (ev): -3.9465 -3.9448 0.0344 0.0418 2.4878 2.5020 2.6512 2.6572 7.9528 7.9558 8.9318 8.9391 13.9043 13.9116 14.2872 14.2995 k = 0.5000-0.1294 0.5209 ( 946 PWs) bands (ev): -3.9437 -3.9419 0.0560 0.0641 2.4298 2.4448 2.6134 2.6196 8.0884 8.0914 9.0774 9.0850 13.6895 13.6970 14.0706 14.0825 k = 0.5000-0.1195 0.5279 ( 942 PWs) bands (ev): -3.9409 -3.9390 0.0780 0.0868 2.3730 2.3887 2.5772 2.5835 8.2276 8.2305 9.2287 9.2365 13.4770 13.4847 13.8549 13.8664 k = 0.5000-0.1095 0.5349 ( 942 PWs) bands (ev): -3.9382 -3.9362 0.1002 0.1096 2.3178 2.3342 2.5429 2.5494 8.3693 8.3722 9.3848 9.3928 13.2680 13.2759 13.6395 13.6507 k = 0.5000-0.0995 0.5420 ( 938 PWs) bands (ev): -3.9356 -3.9335 0.1222 0.1322 2.2647 2.2819 2.5107 2.5173 8.5130 8.5157 9.5456 9.5539 13.0632 13.0713 13.4255 13.4364 k = 0.5000-0.0896 0.5490 ( 938 PWs) bands (ev): -3.9331 -3.9310 0.1437 0.1544 2.2144 2.2324 2.4809 2.4877 8.6574 8.6599 9.7108 9.7193 12.8636 12.8719 13.2120 13.2227 k = 0.5000-0.0796 0.5561 ( 942 PWs) bands (ev): -3.9308 -3.9286 0.1644 0.1757 2.1673 2.1860 2.4537 2.4606 8.8012 8.8034 9.8799 9.8885 12.6704 12.6790 12.9995 13.0099 k = 0.5000-0.0697 0.5631 ( 940 PWs) bands (ev): -3.9287 -3.9264 0.1840 0.1960 2.1241 2.1435 2.4293 2.4363 8.9427 8.9447 10.0528 10.0617 12.4856 12.4945 12.7887 12.7988 k = 0.5000-0.0597 0.5701 ( 940 PWs) bands (ev): -3.9268 -3.9245 0.2020 0.2146 2.0852 2.1052 2.4078 2.4150 9.0799 9.0816 10.2297 10.2388 12.3108 12.3201 12.5794 12.5893 k = 0.5000-0.0498 0.5772 ( 942 PWs) bands (ev): -3.9252 -3.9228 0.2181 0.2313 2.0512 2.0718 2.3894 2.3966 9.2098 9.2111 10.4099 10.4192 12.1489 12.1586 12.3718 12.3814 k = 0.5000-0.0398 0.5842 ( 942 PWs) bands (ev): -3.9238 -3.9214 0.2319 0.2456 2.0225 2.0437 2.3742 2.3815 9.3285 9.3294 10.5932 10.6029 12.0042 12.0144 12.1662 12.1754 k = 0.5000-0.0299 0.5913 ( 942 PWs) bands (ev): -3.9227 -3.9203 0.2431 0.2572 1.9997 2.0213 2.3623 2.3697 9.4310 9.4315 10.7793 10.7894 11.8815 11.8921 11.9628 11.9716 k = 0.5000-0.0199 0.5983 ( 936 PWs) bands (ev): -3.9219 -3.9195 0.2514 0.2658 1.9831 2.0051 2.3538 2.3612 9.5114 9.5115 10.9680 10.9788 11.7619 11.7703 11.7873 11.7980 k = 0.5000-0.0100 0.6053 ( 932 PWs) bands (ev): -3.9214 -3.9190 0.2564 0.2711 1.9730 1.9952 2.3486 2.3560 9.5630 9.5631 11.1562 11.1686 11.5670 11.5736 11.7268 11.7380 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -3.9213 -3.9189 0.2581 0.2728 1.9696 1.9919 2.3469 2.3543 9.5808 9.5810 11.3002 11.3212 11.4185 11.4206 11.7060 11.7173 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -3.9213 -3.9189 0.2581 0.2728 1.9696 1.9919 2.3469 2.3543 9.5808 9.5810 11.3002 11.3212 11.4185 11.4206 11.7060 11.7173 k = 0.4940 0.0103 0.6124 ( 932 PWs) bands (ev): -3.9220 -3.9196 0.2574 0.2721 1.9679 1.9898 2.3534 2.3607 9.5702 9.5709 11.2078 11.2210 11.5080 11.5136 11.7265 11.7376 k = 0.4881 0.0206 0.6124 ( 937 PWs) bands (ev): -3.9240 -3.9216 0.2554 0.2699 1.9619 1.9830 2.3736 2.3802 9.5373 9.5387 11.0777 11.0887 11.6364 11.6442 11.7754 11.7862 k = 0.4821 0.0309 0.6124 ( 939 PWs) bands (ev): -3.9272 -3.9248 0.2519 0.2664 1.9513 1.9712 2.4069 2.4128 9.4810 9.4831 10.9585 10.9690 11.7631 11.7700 11.8506 11.8594 k = 0.4762 0.0412 0.6124 ( 939 PWs) bands (ev): -3.9313 -3.9289 0.2472 0.2614 1.9370 1.9555 2.4521 2.4572 9.4016 9.4043 10.8565 10.8667 11.8740 11.8748 11.9632 11.9653 k = 0.4702 0.0515 0.6124 ( 939 PWs) bands (ev): -3.9361 -3.9338 0.2413 0.2554 1.9199 1.9373 2.5071 2.5116 9.3015 9.3046 10.7723 10.7823 11.9691 11.9725 12.0973 12.1001 k = 0.4643 0.0619 0.6124 ( 934 PWs) bands (ev): -3.9415 -3.9392 0.2345 0.2483 1.9013 1.9176 2.5702 2.5743 9.1847 9.1879 10.7042 10.7140 12.0675 12.0724 12.2404 12.2451 k = 0.4583 0.0722 0.6124 ( 934 PWs) bands (ev): -3.9473 -3.9450 0.2269 0.2405 1.8819 1.8973 2.6396 2.6434 9.0550 9.0583 10.6491 10.6587 12.1726 12.1781 12.3879 12.3936 k = 0.4524 0.0825 0.6124 ( 930 PWs) bands (ev): -3.9534 -3.9511 0.2188 0.2322 1.8625 1.8771 2.7138 2.7174 8.9173 8.9206 10.6045 10.6138 12.2847 12.2904 12.5383 12.5447 k = 0.4464 0.0928 0.6124 ( 930 PWs) bands (ev): -3.9596 -3.9573 0.2104 0.2236 1.8435 1.8576 2.7915 2.7949 8.7754 8.7786 10.5680 10.5770 12.4023 12.4081 12.6907 12.6978 k = 0.4405 0.1031 0.6124 ( 934 PWs) bands (ev): -3.9657 -3.9635 0.2019 0.2148 1.8253 1.8389 2.8713 2.8745 8.6328 8.6359 10.5376 10.5463 12.5249 12.5306 12.8447 12.8522 k = 0.4345 0.1134 0.6124 ( 934 PWs) bands (ev): -3.9717 -3.9696 0.1935 0.2063 1.8082 1.8213 2.9518 2.9547 8.4924 8.4953 10.5121 10.5205 12.6518 12.6575 12.9999 13.0079 k = 0.4286 0.1237 0.6124 ( 938 PWs) bands (ev): -3.9775 -3.9753 0.1853 0.1979 1.7924 1.8051 3.0315 3.0343 8.3566 8.3593 10.4904 10.4986 12.7819 12.7875 13.1554 13.1640 k = 0.4226 0.1340 0.6124 ( 938 PWs) bands (ev): -3.9829 -3.9808 0.1777 0.1901 1.7779 1.7904 3.1091 3.1117 8.2278 8.2303 10.4720 10.4799 12.9147 12.9201 13.3112 13.3205 k = 0.4167 0.1443 0.6124 ( 938 PWs) bands (ev): -3.9879 -3.9857 0.1706 0.1829 1.7649 1.7772 3.1831 3.1854 8.1078 8.1102 10.4563 10.4641 13.0490 13.0543 13.4659 13.4759 k = 0.4107 0.1546 0.6124 ( 944 PWs) bands (ev): -3.9923 -3.9902 0.1642 0.1764 1.7535 1.7656 3.2518 3.2538 7.9986 8.0008 10.4430 10.4505 13.1837 13.1889 13.6175 13.6285 k = 0.4048 0.1650 0.6124 ( 944 PWs) bands (ev): -3.9962 -3.9941 0.1586 0.1707 1.7438 1.7557 3.3136 3.3154 7.9024 7.9043 10.4320 10.4395 13.3177 13.3229 13.7634 13.7757 k = 0.3988 0.1753 0.6124 ( 944 PWs) bands (ev): -3.9994 -3.9974 0.1540 0.1659 1.7358 1.7476 3.3671 3.3685 7.8207 7.8225 10.4232 10.4306 13.4488 13.4539 13.8981 13.9117 k = 0.3929 0.1856 0.6124 ( 946 PWs) bands (ev): -4.0020 -4.0000 0.1503 0.1622 1.7296 1.7412 3.4105 3.4116 7.7552 7.7568 10.4164 10.4236 13.5739 13.5789 14.0111 14.0260 k = 0.3869 0.1959 0.6124 ( 942 PWs) bands (ev): -4.0039 -4.0018 0.1476 0.1594 1.7251 1.7367 3.4427 3.4435 7.7073 7.7088 10.4116 10.4188 13.6869 13.6915 14.0873 14.1021 k = 0.3810 0.2062 0.6124 ( 938 PWs) bands (ev): -4.0050 -4.0030 0.1460 0.1578 1.7224 1.7340 3.4626 3.4630 7.6781 7.6795 10.4088 10.4159 13.7748 13.7781 14.1175 14.1291 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.3690 0.2130 0.6025 ( 941 PWs) bands (ev): -4.0183 -4.0163 0.1651 0.1776 1.6801 1.6924 3.5052 3.5053 7.7227 7.7240 10.6156 10.6230 13.6731 13.6731 13.9755 13.9841 k = 0.3629 0.2095 0.5926 ( 941 PWs) bands (ev): -4.0336 -4.0315 0.1843 0.1973 1.6472 1.6600 3.5423 3.5424 7.7787 7.7798 10.8216 10.8291 13.5371 13.5371 13.8327 13.8417 k = 0.3569 0.2060 0.5827 ( 941 PWs) bands (ev): -4.0514 -4.0493 0.2030 0.2165 1.6230 1.6363 3.5808 3.5809 7.8363 7.8373 11.0236 11.0313 13.4036 13.4037 13.6924 13.7019 k = 0.3508 0.2025 0.5729 ( 945 PWs) bands (ev): -4.0717 -4.0696 0.2214 0.2353 1.6076 1.6213 3.6204 3.6205 7.8955 7.8964 11.2186 11.2264 13.2727 13.2728 13.5550 13.5651 k = 0.3448 0.1990 0.5630 ( 945 PWs) bands (ev): -4.0948 -4.0927 0.2398 0.2540 1.6010 1.6150 3.6612 3.6613 7.9564 7.9571 11.4044 11.4123 13.1445 13.1446 13.4206 13.4315 k = 0.3387 0.1956 0.5531 ( 945 PWs) bands (ev): -4.1206 -4.1186 0.2584 0.2728 1.6030 1.6172 3.7030 3.7031 8.0188 8.0194 11.5767 11.5843 13.0191 13.0192 13.2895 13.3015 k = 0.3327 0.1921 0.5432 ( 949 PWs) bands (ev): -4.1494 -4.1474 0.2779 0.2923 1.6133 1.6276 3.7459 3.7459 8.0826 8.0831 11.7307 11.7375 12.8964 12.8965 13.1618 13.1752 k = 0.3266 0.1886 0.5334 ( 945 PWs) bands (ev): -4.1809 -4.1790 0.2986 0.3129 1.6315 1.6458 3.7896 3.7897 8.1481 8.1485 11.8614 11.8669 12.7767 12.7768 13.0391 13.0543 k = 0.3206 0.1851 0.5235 ( 945 PWs) bands (ev): -4.2154 -4.2135 0.3211 0.3352 1.6571 1.6713 3.8343 3.8343 8.2150 8.2153 11.9637 11.9671 12.6598 12.6600 12.9211 12.9385 k = 0.3145 0.1816 0.5136 ( 945 PWs) bands (ev): -4.2527 -4.2509 0.3458 0.3598 1.6896 1.7037 3.8796 3.8797 8.2832 8.2833 12.0339 12.0342 12.5459 12.5460 12.8092 12.8292 k = 0.3085 0.1781 0.5037 ( 945 PWs) bands (ev): -4.2927 -4.2909 0.3734 0.3870 1.7284 1.7422 3.9257 3.9257 8.3526 8.3527 12.0668 12.0702 12.4349 12.4350 12.7044 12.7272 k = 0.3024 0.1746 0.4938 ( 945 PWs) bands (ev): -4.3354 -4.3337 0.4041 0.4173 1.7730 1.7866 3.9723 3.9723 8.4232 8.4232 12.0663 12.0736 12.3269 12.3271 12.6077 12.6333 k = 0.2964 0.1711 0.4840 ( 945 PWs) bands (ev): -4.3806 -4.3790 0.4383 0.4512 1.8229 1.8362 4.0194 4.0194 8.4946 8.4948 12.0369 12.0475 12.2219 12.2221 12.5196 12.5471 k = 0.2903 0.1676 0.4741 ( 937 PWs) bands (ev): -4.4281 -4.4266 0.4765 0.4889 1.8777 1.8907 4.0669 4.0669 8.5670 8.5673 11.9845 11.9973 12.1204 12.1206 12.4391 12.4675 k = 0.2843 0.1641 0.4642 ( 945 PWs) bands (ev): -4.4779 -4.4764 0.5186 0.5306 1.9369 1.9495 4.1146 4.1146 8.6398 8.6403 11.9151 11.9290 12.0210 12.0212 12.3637 12.3919 k = 0.2782 0.1606 0.4543 ( 935 PWs) bands (ev): -4.5296 -4.5283 0.5651 0.5766 2.0001 2.0124 4.1625 4.1626 8.7136 8.7142 11.8353 11.8494 11.9252 11.9254 12.2923 12.3195 k = 0.2722 0.1571 0.4445 ( 935 PWs) bands (ev): -4.5832 -4.5819 0.6159 0.6270 2.0670 2.0790 4.2105 4.2105 8.7873 8.7881 11.7486 11.7626 11.8321 11.8323 12.2226 12.2486 k = 0.2661 0.1536 0.4346 ( 935 PWs) bands (ev): -4.6384 -4.6372 0.6711 0.6818 2.1372 2.1489 4.2583 4.2584 8.8610 8.8620 11.6584 11.6719 11.7420 11.7422 12.1543 12.1789 k = 0.2601 0.1502 0.4247 ( 929 PWs) bands (ev): -4.6949 -4.6938 0.7308 0.7411 2.2105 2.2219 4.3060 4.3061 8.9345 8.9357 11.5667 11.5797 11.6548 11.6550 12.0873 12.1105 k = 0.2540 0.1467 0.4148 ( 931 PWs) bands (ev): -4.7527 -4.7516 0.7950 0.8049 2.2867 2.2977 4.3534 4.3535 9.0073 9.0087 11.4741 11.4867 11.5704 11.5705 12.0216 12.0436 k = 0.2480 0.1432 0.4050 ( 931 PWs) bands (ev): -4.8114 -4.8104 0.8635 0.8730 2.3654 2.3761 4.4004 4.4004 9.0791 9.0807 11.3822 11.3944 11.4887 11.4888 11.9578 11.9787 k = 0.2419 0.1397 0.3951 ( 931 PWs) bands (ev): -4.8708 -4.8699 0.9364 0.9455 2.4464 2.4568 4.4468 4.4468 9.1495 9.1514 11.2914 11.3033 11.4098 11.4098 11.8965 11.9164 k = 0.2359 0.1362 0.3852 ( 937 PWs) bands (ev): -4.9308 -4.9300 1.0135 1.0222 2.5296 2.5397 4.4925 4.4925 9.2179 9.2201 11.2017 11.2133 11.3333 11.3334 11.8379 11.8569 k = 0.2298 0.1327 0.3753 ( 933 PWs) bands (ev): -4.9911 -4.9904 1.0948 1.1032 2.6147 2.6246 4.5374 4.5375 9.2840 9.2865 11.1144 11.1259 11.2596 11.2597 11.7831 11.8012 k = 0.2238 0.1292 0.3654 ( 933 PWs) bands (ev): -5.0517 -5.0510 1.1801 1.1882 2.7016 2.7112 4.5815 4.5815 9.3472 9.3501 11.0290 11.0403 11.1881 11.1882 11.7322 11.7495 k = 0.2177 0.1257 0.3556 ( 933 PWs) bands (ev): -5.1121 -5.1115 1.2694 1.2772 2.7900 2.7994 4.6245 4.6245 9.4068 9.4101 10.9458 10.9570 11.1189 11.1190 11.6859 11.7024 k = 0.2117 0.1222 0.3457 ( 933 PWs) bands (ev): -5.1724 -5.1719 1.3626 1.3700 2.8799 2.8890 4.6664 4.6664 9.4623 9.4661 10.8647 10.8760 11.0519 11.0519 11.6445 11.6602 k = 0.2056 0.1187 0.3358 ( 933 PWs) bands (ev): -5.2324 -5.2319 1.4594 1.4666 2.9709 2.9798 4.7070 4.7071 9.5129 9.5172 10.7863 10.7975 10.9870 10.9870 11.6084 11.6234 k = 0.1996 0.1152 0.3259 ( 929 PWs) bands (ev): -5.2919 -5.2914 1.5599 1.5667 3.0630 3.0716 4.7464 4.7464 9.5581 9.5630 10.7105 10.7217 10.9243 10.9243 11.5781 11.5923 k = 0.1935 0.1117 0.3161 ( 933 PWs) bands (ev): -5.3507 -5.3503 1.6637 1.6704 3.1559 3.1643 4.7843 4.7843 9.5975 9.6029 10.6372 10.6485 10.8632 10.8632 11.5532 11.5666 k = 0.1875 0.1083 0.3062 ( 933 PWs) bands (ev): -5.4087 -5.4084 1.7710 1.7773 3.2495 3.2576 4.8207 4.8207 9.6306 9.6367 10.5666 10.5779 10.8040 10.8041 11.5340 11.5467 k = 0.1815 0.1048 0.2963 ( 931 PWs) bands (ev): -5.4659 -5.4656 1.8814 1.8875 3.3435 3.3514 4.8555 4.8556 9.6572 9.6639 10.4988 10.5102 10.7467 10.7467 11.5200 11.5319 k = 0.1754 0.1013 0.2864 ( 935 PWs) bands (ev): -5.5220 -5.5217 1.9949 2.0008 3.4378 3.4455 4.8888 4.8888 9.6770 9.6844 10.4337 10.4451 10.6910 10.6910 11.5102 11.5213 k = 0.1694 0.0978 0.2766 ( 935 PWs) bands (ev): -5.5770 -5.5768 2.1113 2.1170 3.5322 3.5397 4.9203 4.9204 9.6905 9.6984 10.3717 10.3831 10.6370 10.6370 11.5038 11.5141 k = 0.1633 0.0943 0.2667 ( 935 PWs) bands (ev): -5.6308 -5.6306 2.2305 2.2360 3.6265 3.6337 4.9502 4.9503 9.6976 9.7061 10.3127 10.3241 10.5846 10.5846 11.4991 11.5086 k = 0.1573 0.0908 0.2568 ( 933 PWs) bands (ev): -5.6833 -5.6831 2.3524 2.3577 3.7204 3.7274 4.9784 4.9784 9.6990 9.7080 10.2570 10.2683 10.5339 10.5339 11.4945 11.5033 k = 0.1512 0.0873 0.2469 ( 933 PWs) bands (ev): -5.7344 -5.7342 2.4767 2.4818 3.8137 3.8205 5.0048 5.0049 9.6949 9.7042 10.2044 10.2155 10.4847 10.4847 11.4877 11.4958 k = 0.1452 0.0838 0.2370 ( 933 PWs) bands (ev): -5.7839 -5.7838 2.6034 2.6083 3.9062 3.9128 5.0295 5.0296 9.6859 9.6954 10.1552 10.1661 10.4372 10.4372 11.4765 11.4838 k = 0.1391 0.0803 0.2272 ( 933 PWs) bands (ev): -5.8320 -5.8318 2.7322 2.7369 3.9977 4.0041 5.0526 5.0527 9.6725 9.6819 10.1095 10.1200 10.3913 10.3913 11.4584 11.4651 k = 0.1331 0.0768 0.2173 ( 933 PWs) bands (ev): -5.8784 -5.8782 2.8630 2.8675 4.0879 4.0941 5.0740 5.0740 9.6551 9.6644 10.0675 10.0775 10.3471 10.3471 11.4312 11.4372 k = 0.1270 0.0733 0.2074 ( 923 PWs) bands (ev): -5.9231 -5.9230 2.9955 2.9999 4.1766 4.1825 5.0937 5.0938 9.6344 9.6433 10.0298 10.0392 10.3046 10.3047 11.3928 11.3982 k = 0.1210 0.0698 0.1975 ( 923 PWs) bands (ev): -5.9660 -5.9659 3.1296 3.1337 4.2634 4.2691 5.1119 5.1119 9.6102 9.6186 9.9955 10.0042 10.2638 10.2638 11.3417 11.3465 k = 0.1149 0.0663 0.1877 ( 927 PWs) bands (ev): -6.0072 -6.0071 3.2648 3.2688 4.3482 4.3537 5.1285 5.1286 9.5830 9.5907 9.9648 9.9726 10.2247 10.2247 11.2771 11.2813 k = 0.1089 0.0629 0.1778 ( 929 PWs) bands (ev): -6.0465 -6.0465 3.4011 3.4050 4.4306 4.4359 5.1437 5.1438 9.5531 9.5601 9.9381 9.9451 10.1873 10.1873 11.1993 11.2029 k = 0.1028 0.0594 0.1679 ( 929 PWs) bands (ev): -6.0839 -6.0839 3.5381 3.5418 4.5105 4.5155 5.1575 5.1576 9.5206 9.5268 9.9152 9.9213 10.1517 10.1518 11.1094 11.1125 k = 0.0968 0.0559 0.1580 ( 929 PWs) bands (ev): -6.1194 -6.1194 3.6754 3.6789 4.5874 4.5922 5.1700 5.1701 9.4855 9.4909 9.8960 9.9012 10.1180 10.1181 11.0091 11.0117 k = 0.0907 0.0524 0.1482 ( 929 PWs) bands (ev): -6.1529 -6.1529 3.8126 3.8159 4.6613 4.6658 5.1812 5.1813 9.4479 9.4525 9.8800 9.8844 10.0862 10.0863 10.9009 10.9031 k = 0.0847 0.0489 0.1383 ( 929 PWs) bands (ev): -6.1844 -6.1844 3.9491 3.9524 4.7317 4.7360 5.1913 5.1915 9.4076 9.4115 9.8671 9.8708 10.0563 10.0563 10.7876 10.7894 k = 0.0786 0.0454 0.1284 ( 929 PWs) bands (ev): -6.2139 -6.2138 4.0845 4.0876 4.7985 4.8025 5.2004 5.2005 9.3644 9.3677 9.8570 9.8600 10.0283 10.0284 10.6720 10.6735 k = 0.0726 0.0419 0.1185 ( 933 PWs) bands (ev): -6.2413 -6.2412 4.2181 4.2210 4.8613 4.8651 5.2084 5.2086 9.3180 9.3207 9.8494 9.8519 10.0023 10.0023 10.5568 10.5581 k = 0.0665 0.0384 0.1086 ( 933 PWs) bands (ev): -6.2665 -6.2665 4.3490 4.3518 4.9200 4.9235 5.2156 5.2158 9.2681 9.2703 9.8440 9.8461 9.9783 9.9783 10.4454 10.4464 k = 0.0605 0.0349 0.0988 ( 929 PWs) bands (ev): -6.2897 -6.2897 4.4765 4.4790 4.9743 4.9776 5.2220 5.2222 9.2146 9.2162 9.8408 9.8424 9.9563 9.9564 10.3402 10.3410 k = 0.0544 0.0314 0.0889 ( 933 PWs) bands (ev): -6.3107 -6.3107 4.5992 4.6016 5.0241 5.0270 5.2277 5.2278 9.1573 9.1586 9.8389 9.8402 9.9363 9.9363 10.2431 10.2438 k = 0.0484 0.0279 0.0790 ( 933 PWs) bands (ev): -6.3296 -6.3295 4.7161 4.7183 5.0690 5.0717 5.2328 5.2330 9.0969 9.0978 9.8383 9.8393 9.9184 9.9185 10.1562 10.1567 k = 0.0423 0.0244 0.0691 ( 937 PWs) bands (ev): -6.3462 -6.3462 4.8255 4.8275 5.1089 5.1114 5.2374 5.2376 9.0345 9.0352 9.8385 9.8393 9.9027 9.9028 10.0804 10.0809 k = 0.0363 0.0210 0.0593 ( 941 PWs) bands (ev): -6.3607 -6.3607 4.9258 4.9275 5.1438 5.1459 5.2418 5.2420 8.9721 8.9725 9.8392 9.8399 9.8892 9.8893 10.0162 10.0166 k = 0.0302 0.0175 0.0494 ( 941 PWs) bands (ev): -6.3730 -6.3730 5.0147 5.0162 5.1735 5.1754 5.2462 5.2464 8.9121 8.9123 9.8400 9.8405 9.8781 9.8782 9.9638 9.9641 k = 0.0242 0.0140 0.0395 ( 941 PWs) bands (ev): -6.3830 -6.3830 5.0898 5.0910 5.1985 5.2000 5.2508 5.2509 8.8573 8.8575 9.8401 9.8404 9.8695 9.8696 9.9227 9.9230 k = 0.0181 0.0105 0.0296 ( 941 PWs) bands (ev): -6.3909 -6.3909 5.1475 5.1483 5.2202 5.2211 5.2557 5.2558 8.8108 8.8109 9.8388 9.8390 9.8638 9.8638 9.8925 9.8926 k = 0.0121 0.0070 0.0198 ( 941 PWs) bands (ev): -6.3965 -6.3965 5.1838 5.1841 5.2411 5.2415 5.2606 5.2606 8.7753 8.7753 9.8359 9.8360 9.8606 9.8607 9.8726 9.8727 k = 0.0060 0.0035 0.0099 ( 941 PWs) bands (ev): -6.3998 -6.3998 5.2004 5.2005 5.2587 5.2588 5.2642 5.2642 8.7530 8.7530 9.8324 9.8324 9.8594 9.8594 9.8622 9.8622 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.4009 -6.4009 5.2049 5.2049 5.2656 5.2656 5.2656 5.2656 8.7454 8.7454 9.8308 9.8308 9.8590 9.8590 9.8590 9.8590 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.4009 -6.4009 5.2049 5.2049 5.2656 5.2656 5.2656 5.2656 8.7454 8.7454 9.8308 9.8308 9.8590 9.8590 9.8590 9.8590 k = 0.0098 0.0057 0.0040 ( 941 PWs) bands (ev): -6.3998 -6.3998 5.2004 5.2004 5.2586 5.2586 5.2645 5.2645 8.7529 8.7529 9.8325 9.8325 9.8602 9.8602 9.8611 9.8611 k = 0.0196 0.0113 0.0080 ( 941 PWs) bands (ev): -6.3965 -6.3965 5.1831 5.1831 5.2422 5.2422 5.2614 5.2614 8.7747 8.7747 9.8375 9.8375 9.8641 9.8641 9.8674 9.8674 k = 0.0294 0.0170 0.0120 ( 941 PWs) bands (ev): -6.3910 -6.3910 5.1434 5.1434 5.2266 5.2266 5.2562 5.2562 8.8092 8.8092 9.8456 9.8456 9.8715 9.8715 9.8779 9.8779 k = 0.0392 0.0226 0.0160 ( 941 PWs) bands (ev): -6.3833 -6.3833 5.0806 5.0806 5.2145 5.2145 5.2489 5.2489 8.8536 8.8536 9.8574 9.8574 9.8833 9.8833 9.8923 9.8923 k = 0.0490 0.0283 0.0200 ( 941 PWs) bands (ev): -6.3734 -6.3734 4.9991 4.9991 5.2030 5.2030 5.2397 5.2397 8.9041 8.9041 9.8741 9.8741 9.9000 9.9000 9.9106 9.9106 k = 0.0588 0.0340 0.0240 ( 941 PWs) bands (ev): -6.3613 -6.3613 4.9027 4.9027 5.1908 5.1908 5.2287 5.2287 8.9563 8.9563 9.8978 9.8978 9.9219 9.9219 9.9324 9.9324 k = 0.0686 0.0396 0.0280 ( 941 PWs) bands (ev): -6.3470 -6.3470 4.7938 4.7938 5.1773 5.1773 5.2158 5.2158 9.0056 9.0056 9.9294 9.9294 9.9511 9.9511 9.9576 9.9576 k = 0.0784 0.0453 0.0320 ( 935 PWs) bands (ev): -6.3306 -6.3306 4.6745 4.6745 5.1624 5.1624 5.2013 5.2013 9.0476 9.0476 9.9634 9.9634 9.9859 9.9859 9.9955 9.9955 k = 0.0882 0.0509 0.0360 ( 929 PWs) bands (ev): -6.3121 -6.3121 4.5466 4.5466 5.1461 5.1461 5.1853 5.1853 9.0789 9.0789 9.9965 9.9965 10.0169 10.0169 10.0600 10.0600 k = 0.0980 0.0566 0.0400 ( 932 PWs) bands (ev): -6.2914 -6.2914 4.4114 4.4114 5.1285 5.1285 5.1678 5.1678 9.0981 9.0981 10.0303 10.0303 10.0501 10.0501 10.1425 10.1425 k = 0.1078 0.0623 0.0440 ( 932 PWs) bands (ev): -6.2686 -6.2686 4.2706 4.2706 5.1097 5.1097 5.1490 5.1490 9.1055 9.1055 10.0654 10.0654 10.0851 10.0851 10.2414 10.2414 k = 0.1176 0.0679 0.0480 ( 932 PWs) bands (ev): -6.2437 -6.2437 4.1250 4.1250 5.0897 5.0897 5.1291 5.1291 9.1023 9.1023 10.1018 10.1018 10.1213 10.1213 10.3539 10.3539 k = 0.1275 0.0736 0.0520 ( 932 PWs) bands (ev): -6.2168 -6.2168 3.9756 3.9756 5.0688 5.0688 5.1082 5.1082 9.0904 9.0904 10.1388 10.1388 10.1584 10.1584 10.4777 10.4777 k = 0.1373 0.0792 0.0560 ( 926 PWs) bands (ev): -6.1879 -6.1879 3.8233 3.8233 5.0470 5.0470 5.0864 5.0864 9.0715 9.0715 10.1761 10.1761 10.1957 10.1957 10.6103 10.6103 k = 0.1471 0.0849 0.0600 ( 926 PWs) bands (ev): -6.1569 -6.1569 3.6687 3.6687 5.0244 5.0244 5.0639 5.0639 9.0472 9.0472 10.2128 10.2128 10.2324 10.2324 10.7498 10.7498 k = 0.1569 0.0906 0.0640 ( 923 PWs) bands (ev): -6.1240 -6.1240 3.5126 3.5126 5.0013 5.0013 5.0407 5.0407 9.0189 9.0189 10.2485 10.2485 10.2681 10.2681 10.8947 10.8947 k = 0.1667 0.0962 0.0680 ( 923 PWs) bands (ev): -6.0892 -6.0892 3.3552 3.3552 4.9777 4.9777 5.0171 5.0171 8.9873 8.9873 10.2824 10.2824 10.3020 10.3020 11.0433 11.0433 k = 0.1765 0.1019 0.0720 ( 923 PWs) bands (ev): -6.0526 -6.0526 3.1972 3.1972 4.9537 4.9537 4.9931 4.9931 8.9534 8.9534 10.3141 10.3141 10.3336 10.3336 11.1946 11.1946 k = 0.1863 0.1075 0.0760 ( 920 PWs) bands (ev): -6.0141 -6.0141 3.0390 3.0390 4.9295 4.9295 4.9688 4.9688 8.9175 8.9175 10.3430 10.3430 10.3624 10.3624 11.3476 11.3476 k = 0.1961 0.1132 0.0800 ( 920 PWs) bands (ev): -5.9738 -5.9738 2.8808 2.8808 4.9052 4.9052 4.9444 4.9444 8.8807 8.8807 10.3684 10.3684 10.3876 10.3876 11.5018 11.5018 k = 0.2059 0.1189 0.0841 ( 926 PWs) bands (ev): -5.9319 -5.9319 2.7231 2.7231 4.8808 4.8808 4.9200 4.9200 8.8431 8.8431 10.3896 10.3896 10.4086 10.4086 11.6562 11.6562 k = 0.2157 0.1245 0.0881 ( 932 PWs) bands (ev): -5.8883 -5.8883 2.5661 2.5661 4.8565 4.8565 4.8957 4.8957 8.8051 8.8051 10.4067 10.4067 10.4255 10.4255 11.8100 11.8100 k = 0.2255 0.1302 0.0921 ( 932 PWs) bands (ev): -5.8431 -5.8431 2.4102 2.4102 4.8324 4.8324 4.8715 4.8715 8.7671 8.7671 10.4195 10.4195 10.4380 10.4380 11.9627 11.9627 k = 0.2353 0.1358 0.0961 ( 932 PWs) bands (ev): -5.7965 -5.7965 2.2556 2.2556 4.8085 4.8085 4.8476 4.8476 8.7293 8.7293 10.4277 10.4277 10.4459 10.4459 12.1134 12.1134 k = 0.2451 0.1415 0.1001 ( 935 PWs) bands (ev): -5.7485 -5.7485 2.1026 2.1026 4.7850 4.7850 4.8240 4.8240 8.6919 8.6919 10.4315 10.4315 10.4493 10.4493 12.2614 12.2614 k = 0.2549 0.1472 0.1041 ( 935 PWs) bands (ev): -5.6991 -5.6991 1.9513 1.9513 4.7619 4.7619 4.8009 4.8009 8.6550 8.6550 10.4309 10.4309 10.4483 10.4483 12.4057 12.4057 k = 0.2647 0.1528 0.1081 ( 941 PWs) bands (ev): -5.6486 -5.6486 1.8022 1.8022 4.7392 4.7392 4.7782 4.7782 8.6187 8.6187 10.4263 10.4263 10.4433 10.4433 12.5454 12.5454 k = 0.2745 0.1585 0.1121 ( 941 PWs) bands (ev): -5.5971 -5.5971 1.6553 1.6553 4.7172 4.7172 4.7561 4.7561 8.5834 8.5834 10.4181 10.4181 10.4347 10.4347 12.6796 12.6796 k = 0.2843 0.1641 0.1161 ( 941 PWs) bands (ev): -5.5446 -5.5446 1.5109 1.5109 4.6957 4.6957 4.7346 4.7346 8.5491 8.5491 10.4066 10.4066 10.4228 10.4228 12.8070 12.8070 k = 0.2941 0.1698 0.1201 ( 938 PWs) bands (ev): -5.4913 -5.4913 1.3693 1.3693 4.6749 4.6749 4.7138 4.7138 8.5159 8.5159 10.3924 10.3924 10.4082 10.4082 12.9266 12.9266 k = 0.3039 0.1755 0.1241 ( 938 PWs) bands (ev): -5.4374 -5.4374 1.2308 1.2308 4.6547 4.6547 4.6936 4.6936 8.4838 8.4838 10.3758 10.3758 10.3912 10.3912 13.0371 13.0371 k = 0.3137 0.1811 0.1281 ( 932 PWs) bands (ev): -5.3831 -5.3831 1.0955 1.0955 4.6354 4.6354 4.6742 4.6742 8.4534 8.4534 10.3574 10.3574 10.3724 10.3724 13.1376 13.1376 k = 0.3235 0.1868 0.1321 ( 926 PWs) bands (ev): -5.3286 -5.3286 0.9638 0.9638 4.6168 4.6168 4.6556 4.6556 8.4244 8.4244 10.3376 10.3376 10.3522 10.3522 13.2272 13.2272 k = 0.3333 0.1925 0.1361 ( 926 PWs) bands (ev): -5.2740 -5.2740 0.8360 0.8360 4.5991 4.5991 4.6379 4.6379 8.3962 8.3962 10.3167 10.3167 10.3311 10.3311 13.3051 13.3051 k = 0.3431 0.1981 0.1401 ( 926 PWs) bands (ev): -5.2197 -5.2197 0.7122 0.7122 4.5822 4.5822 4.6210 4.6210 8.3695 8.3695 10.2953 10.2953 10.3093 10.3093 13.3715 13.3715 k = 0.3529 0.2038 0.1441 ( 926 PWs) bands (ev): -5.1659 -5.1659 0.5930 0.5930 4.5662 4.5662 4.6050 4.6050 8.3441 8.3441 10.2736 10.2736 10.2874 10.2874 13.4266 13.4266 k = 0.3627 0.2094 0.1481 ( 938 PWs) bands (ev): -5.1129 -5.1129 0.4785 0.4785 4.5511 4.5511 4.5899 4.5899 8.3201 8.3201 10.2517 10.2517 10.2652 10.2652 13.4711 13.4711 k = 0.3725 0.2151 0.1521 ( 938 PWs) bands (ev): -5.0609 -5.0609 0.3692 0.3692 4.5370 4.5370 4.5757 4.5757 8.2978 8.2978 10.2306 10.2306 10.2438 10.2438 13.5062 13.5062 k = 0.3824 0.2208 0.1561 ( 941 PWs) bands (ev): -5.0104 -5.0104 0.2655 0.2655 4.5238 4.5238 4.5626 4.5626 8.2771 8.2771 10.2098 10.2098 10.2228 10.2228 13.5329 13.5329 k = 0.3922 0.2264 0.1601 ( 941 PWs) bands (ev): -4.9618 -4.9618 0.1677 0.1677 4.5117 4.5117 4.5504 4.5504 8.2580 8.2580 10.1902 10.1902 10.2030 10.2030 13.5527 13.5527 k = 0.4020 0.2321 0.1641 ( 941 PWs) bands (ev): -4.9153 -4.9153 0.0763 0.0763 4.5005 4.5005 4.5393 4.5393 8.2404 8.2404 10.1717 10.1717 10.1843 10.1843 13.5668 13.5668 k = 0.4118 0.2377 0.1681 ( 941 PWs) bands (ev): -4.8714 -4.8714 -0.0083 -0.0083 4.4904 4.4904 4.5291 4.5291 8.2245 8.2245 10.1544 10.1544 10.1669 10.1669 13.5764 13.5764 k = 0.4216 0.2434 0.1721 ( 935 PWs) bands (ev): -4.8306 -4.8306 -0.0856 -0.0856 4.4813 4.4813 4.5200 4.5200 8.2103 8.2103 10.1387 10.1387 10.1511 10.1511 13.5825 13.5825 k = 0.4314 0.2491 0.1761 ( 935 PWs) bands (ev): -4.7933 -4.7933 -0.1553 -0.1553 4.4732 4.4732 4.5119 4.5119 8.1974 8.1974 10.1246 10.1246 10.1368 10.1368 13.5859 13.5859 k = 0.4412 0.2547 0.1801 ( 936 PWs) bands (ev): -4.7598 -4.7598 -0.2167 -0.2167 4.4662 4.4662 4.5049 4.5049 8.1863 8.1863 10.1120 10.1120 10.1241 10.1241 13.5876 13.5876 k = 0.4510 0.2604 0.1841 ( 936 PWs) bands (ev): -4.7306 -4.7306 -0.2696 -0.2696 4.4603 4.4603 4.4990 4.4990 8.1770 8.1770 10.1012 10.1012 10.1132 10.1132 13.5880 13.5880 k = 0.4608 0.2660 0.1881 ( 936 PWs) bands (ev): -4.7062 -4.7062 -0.3135 -0.3135 4.4554 4.4554 4.4941 4.4941 8.1694 8.1694 10.0923 10.0923 10.1042 10.1042 13.5878 13.5878 k = 0.4706 0.2717 0.1921 ( 936 PWs) bands (ev): -4.6868 -4.6868 -0.3480 -0.3480 4.4516 4.4516 4.4903 4.4903 8.1635 8.1635 10.0853 10.0853 10.0972 10.0972 13.5872 13.5872 k = 0.4804 0.2774 0.1961 ( 936 PWs) bands (ev): -4.6727 -4.6727 -0.3729 -0.3729 4.4489 4.4489 4.4876 4.4876 8.1592 8.1592 10.0802 10.0802 10.0921 10.0921 13.5866 13.5866 k = 0.4902 0.2830 0.2001 ( 942 PWs) bands (ev): -4.6642 -4.6642 -0.3880 -0.3880 4.4472 4.4472 4.4860 4.4860 8.1566 8.1566 10.0770 10.0770 10.0889 10.0889 13.5861 13.5861 k = 0.5000 0.2887 0.2041 ( 960 PWs) bands (ev): -4.6613 -4.6613 -0.3930 -0.3930 4.4466 4.4466 4.4854 4.4854 8.1557 8.1557 10.0758 10.0758 10.0876 10.0876 13.5859 13.5859 k = 0.5000 0.2887 0.2041 ( 960 PWs) bands (ev): -4.6613 -4.6613 -0.3930 -0.3930 4.4466 4.4466 4.4854 4.4854 8.1557 8.1557 10.0758 10.0758 10.0876 10.0876 13.5859 13.5859 k = 0.5035 0.2787 0.2098 ( 944 PWs) bands (ev): -4.6605 -4.6604 -0.3921 -0.3919 4.4412 4.4416 4.4806 4.4806 8.1637 8.1640 10.0749 10.0750 10.0893 10.0893 13.5908 13.5915 k = 0.5069 0.2686 0.2155 ( 938 PWs) bands (ev): -4.6580 -4.6579 -0.3893 -0.3888 4.4221 4.4232 4.4692 4.4694 8.1873 8.1880 10.0657 10.0658 10.1000 10.1000 13.6057 13.6072 k = 0.5104 0.2586 0.2211 ( 938 PWs) bands (ev): -4.6539 -4.6537 -0.3845 -0.3838 4.3856 4.3871 4.4562 4.4564 8.2257 8.2266 10.0481 10.0482 10.1205 10.1206 13.6297 13.6319 k = 0.5139 0.2486 0.2268 ( 938 PWs) bands (ev): -4.6481 -4.6478 -0.3778 -0.3769 4.3324 4.3343 4.4421 4.4423 8.2770 8.2781 10.0246 10.0248 10.1497 10.1497 13.6610 13.6640 k = 0.5174 0.2386 0.2325 ( 938 PWs) bands (ev): -4.6406 -4.6403 -0.3692 -0.3680 4.2650 4.2672 4.4259 4.4262 8.3389 8.3403 9.9974 9.9976 10.1872 10.1872 13.6975 13.7013 k = 0.5208 0.2285 0.2381 ( 938 PWs) bands (ev): -4.6316 -4.6311 -0.3587 -0.3572 4.1855 4.1880 4.4073 4.4075 8.4086 8.4102 9.9688 9.9690 10.2327 10.2327 13.7361 13.7408 k = 0.5243 0.2185 0.2438 ( 938 PWs) bands (ev): -4.6209 -4.6204 -0.3463 -0.3446 4.0958 4.0986 4.3861 4.3863 8.4826 8.4843 9.9418 9.9419 10.2861 10.2861 13.7733 13.7790 k = 0.5278 0.2085 0.2495 ( 937 PWs) bands (ev): -4.6087 -4.6081 -0.3320 -0.3301 3.9976 4.0007 4.3625 4.3626 8.5568 8.5586 9.9201 9.9202 10.3470 10.3470 13.8050 13.8119 k = 0.5312 0.1985 0.2552 ( 936 PWs) bands (ev): -4.5950 -4.5943 -0.3160 -0.3138 3.8924 3.8958 4.3365 4.3366 8.6263 8.6280 9.9080 9.9080 10.4156 10.4156 13.8269 13.8348 k = 0.5347 0.1884 0.2608 ( 938 PWs) bands (ev): -4.5798 -4.5790 -0.2983 -0.2958 3.7816 3.7853 4.3084 4.3085 8.6858 8.6874 9.9102 9.9105 10.4910 10.4910 13.8344 13.8434 k = 0.5382 0.1784 0.2665 ( 938 PWs) bands (ev): -4.5631 -4.5623 -0.2788 -0.2760 3.6665 3.6704 4.2783 4.2785 8.7303 8.7317 9.9319 9.9325 10.5733 10.5733 13.8240 13.8338 k = 0.5417 0.1684 0.2722 ( 940 PWs) bands (ev): -4.5450 -4.5442 -0.2578 -0.2547 3.5480 3.5522 4.2466 4.2468 8.7560 8.7573 9.9760 9.9769 10.6623 10.6623 13.7931 13.8036 k = 0.5451 0.1584 0.2778 ( 942 PWs) bands (ev): -4.5257 -4.5247 -0.2352 -0.2318 3.4272 3.4317 4.2135 4.2136 8.7620 8.7630 10.0435 10.0448 10.7575 10.7575 13.7416 13.7525 k = 0.5486 0.1483 0.2835 ( 942 PWs) bands (ev): -4.5050 -4.5040 -0.2112 -0.2075 3.3050 3.3098 4.1791 4.1792 8.7498 8.7505 10.1327 10.1344 10.8588 10.8588 13.6709 13.6820 k = 0.5521 0.1383 0.2892 ( 941 PWs) bands (ev): -4.4832 -4.4821 -0.1859 -0.1818 3.1822 3.1873 4.1438 4.1439 8.7224 8.7229 10.2400 10.2420 10.9660 10.9660 13.5840 13.5950 k = 0.5556 0.1283 0.2948 ( 939 PWs) bands (ev): -4.4603 -4.4591 -0.1594 -0.1550 3.0595 3.0649 4.1076 4.1077 8.6835 8.6838 10.3612 10.3636 11.0789 11.0789 13.4845 13.4952 k = 0.5590 0.1183 0.3005 ( 939 PWs) bands (ev): -4.4364 -4.4351 -0.1319 -0.1271 2.9376 2.9433 4.0709 4.0710 8.6362 8.6364 10.4926 10.4952 11.1968 11.1968 13.3761 13.3864 k = 0.5625 0.1083 0.3062 ( 941 PWs) bands (ev): -4.4115 -4.4102 -0.1036 -0.0983 2.8171 2.8232 4.0339 4.0339 8.5831 8.5831 10.6304 10.6334 11.3196 11.3196 13.2624 13.2722 k = 0.5660 0.0982 0.3119 ( 938 PWs) bands (ev): -4.3859 -4.3846 -0.0747 -0.0689 2.6988 2.7052 3.9966 3.9967 8.5261 8.5263 10.7717 10.7751 11.4473 11.4473 13.1471 13.1563 k = 0.5694 0.0882 0.3175 ( 938 PWs) bands (ev): -4.3596 -4.3582 -0.0454 -0.0391 2.5832 2.5900 3.9594 3.9594 8.4669 8.4671 10.9127 10.9164 11.5792 11.5792 13.0337 13.0424 k = 0.5729 0.0782 0.3232 ( 940 PWs) bands (ev): -4.3328 -4.3313 -0.0160 -0.0092 2.4711 2.4784 3.9223 3.9223 8.4063 8.4066 11.0492 11.0535 11.7151 11.7151 12.9269 12.9348 k = 0.5764 0.0682 0.3289 ( 944 PWs) bands (ev): -4.3057 -4.3041 0.0131 0.0204 2.3632 2.3709 3.8855 3.8856 8.3454 8.3458 11.1757 11.1805 11.8548 11.8548 12.8321 12.8393 k = 0.5799 0.0581 0.3345 ( 940 PWs) bands (ev): -4.2783 -4.2766 0.0414 0.0493 2.2602 2.2684 3.8492 3.8493 8.2849 8.2854 11.2848 11.2903 11.9983 11.9984 12.7574 12.7638 k = 0.5833 0.0481 0.3402 ( 940 PWs) bands (ev): -4.2508 -4.2492 0.0686 0.0771 2.1629 2.1717 3.8135 3.8136 8.2253 8.2258 11.3666 11.3729 12.1450 12.1450 12.7125 12.7179 k = 0.5868 0.0381 0.3459 ( 944 PWs) bands (ev): -4.2236 -4.2218 0.0941 0.1033 2.0721 2.0815 3.7785 3.7786 8.1668 8.1674 11.4111 11.4182 12.2940 12.2941 12.7071 12.7116 k = 0.5903 0.0281 0.3515 ( 944 PWs) bands (ev): -4.1967 -4.1949 0.1174 0.1271 1.9889 1.9988 3.7444 3.7444 8.1100 8.1106 11.4133 11.4210 12.4456 12.4457 12.7466 12.7505 k = 0.5938 0.0180 0.3572 ( 943 PWs) bands (ev): -4.1704 -4.1686 0.1377 0.1481 1.9141 1.9246 3.7112 3.7113 8.0550 8.0558 11.3762 11.3842 12.5986 12.5987 12.8282 12.8317 k = 0.5972 0.0080 0.3629 ( 945 PWs) bands (ev): -4.1450 -4.1431 0.1546 0.1656 1.8487 1.8597 3.6790 3.6791 8.0021 8.0029 11.3082 11.3164 12.7524 12.7524 12.9423 12.9457 k = 0.6007-0.0020 0.3686 ( 941 PWs) bands (ev): -4.1206 -4.1187 0.1675 0.1790 1.7935 1.8050 3.6481 3.6481 7.9515 7.9523 11.2194 11.2275 12.9063 12.9063 13.0795 13.0831 k = 0.6042-0.0120 0.3742 ( 945 PWs) bands (ev): -4.0977 -4.0957 0.1759 0.1879 1.7492 1.7611 3.6183 3.6184 7.9031 7.9040 11.1164 11.1244 13.0587 13.0587 13.2316 13.2355 k = 0.6076-0.0221 0.3799 ( 943 PWs) bands (ev): -4.0764 -4.0744 0.1798 0.1921 1.7165 1.7286 3.5898 3.5899 7.8572 7.8582 11.0052 11.0131 13.2084 13.2085 13.3925 13.3968 k = 0.6111-0.0321 0.3856 ( 943 PWs) bands (ev): -4.0570 -4.0550 0.1792 0.1917 1.6955 1.7078 3.5627 3.5628 7.8139 7.8150 10.8886 10.8964 13.3525 13.3525 13.5574 13.5624 k = 0.6146-0.0421 0.3912 ( 941 PWs) bands (ev): -4.0400 -4.0379 0.1747 0.1872 1.6860 1.6983 3.5371 3.5372 7.7734 7.7746 10.7693 10.7768 13.4884 13.4885 13.7215 13.7273 k = 0.6181-0.0521 0.3969 ( 941 PWs) bands (ev): -4.0255 -4.0234 0.1668 0.1792 1.6877 1.6999 3.5130 3.5130 7.7356 7.7368 10.6487 10.6561 13.6126 13.6126 13.8775 13.8844 k = 0.6215-0.0621 0.4026 ( 939 PWs) bands (ev): -4.0138 -4.0118 0.1567 0.1689 1.6998 1.7117 3.4904 3.4904 7.7006 7.7018 10.5279 10.5352 13.7215 13.7215 14.0155 14.0235 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.6190-0.0687 0.4180 ( 938 PWs) bands (ev): -4.0050 -4.0030 0.1460 0.1578 1.7224 1.7340 3.4626 3.4630 7.6781 7.6795 10.4088 10.4159 13.7748 13.7781 14.1175 14.1291 k = 0.6131-0.0653 0.4277 ( 942 PWs) bands (ev): -4.0039 -4.0018 0.1476 0.1594 1.7251 1.7367 3.4427 3.4435 7.7073 7.7088 10.4116 10.4188 13.6869 13.6915 14.0873 14.1021 k = 0.6071-0.0619 0.4374 ( 946 PWs) bands (ev): -4.0020 -4.0000 0.1503 0.1622 1.7296 1.7412 3.4105 3.4116 7.7552 7.7568 10.4164 10.4236 13.5739 13.5789 14.0111 14.0260 k = 0.6012-0.0584 0.4471 ( 944 PWs) bands (ev): -3.9994 -3.9974 0.1540 0.1659 1.7358 1.7476 3.3671 3.3685 7.8207 7.8225 10.4232 10.4306 13.4488 13.4539 13.8981 13.9117 k = 0.5952-0.0550 0.4568 ( 944 PWs) bands (ev): -3.9962 -3.9941 0.1586 0.1707 1.7438 1.7557 3.3136 3.3154 7.9024 7.9043 10.4320 10.4395 13.3177 13.3229 13.7634 13.7757 k = 0.5893-0.0515 0.4666 ( 944 PWs) bands (ev): -3.9923 -3.9902 0.1642 0.1764 1.7535 1.7656 3.2518 3.2538 7.9986 8.0008 10.4430 10.4505 13.1837 13.1889 13.6175 13.6285 k = 0.5833-0.0481 0.4763 ( 938 PWs) bands (ev): -3.9879 -3.9857 0.1706 0.1829 1.7649 1.7772 3.1831 3.1854 8.1078 8.1102 10.4563 10.4641 13.0490 13.0543 13.4659 13.4759 k = 0.5774-0.0447 0.4860 ( 938 PWs) bands (ev): -3.9829 -3.9808 0.1777 0.1901 1.7779 1.7904 3.1091 3.1117 8.2278 8.2303 10.4720 10.4799 12.9147 12.9201 13.3112 13.3205 k = 0.5714-0.0412 0.4957 ( 938 PWs) bands (ev): -3.9775 -3.9753 0.1853 0.1979 1.7924 1.8051 3.0315 3.0343 8.3566 8.3593 10.4904 10.4986 12.7819 12.7875 13.1554 13.1640 k = 0.5655-0.0378 0.5055 ( 934 PWs) bands (ev): -3.9717 -3.9696 0.1935 0.2063 1.8082 1.8213 2.9518 2.9547 8.4924 8.4953 10.5121 10.5205 12.6518 12.6575 12.9999 13.0079 k = 0.5595-0.0344 0.5152 ( 934 PWs) bands (ev): -3.9657 -3.9635 0.2019 0.2148 1.8253 1.8389 2.8713 2.8745 8.6328 8.6359 10.5376 10.5463 12.5249 12.5306 12.8447 12.8522 k = 0.5536-0.0309 0.5249 ( 930 PWs) bands (ev): -3.9596 -3.9573 0.2104 0.2236 1.8435 1.8576 2.7915 2.7949 8.7754 8.7786 10.5680 10.5770 12.4023 12.4081 12.6907 12.6978 k = 0.5476-0.0275 0.5346 ( 930 PWs) bands (ev): -3.9534 -3.9511 0.2188 0.2322 1.8625 1.8771 2.7138 2.7174 8.9173 8.9206 10.6045 10.6138 12.2847 12.2904 12.5383 12.5447 k = 0.5417-0.0241 0.5443 ( 934 PWs) bands (ev): -3.9473 -3.9450 0.2269 0.2405 1.8819 1.8973 2.6396 2.6434 9.0550 9.0583 10.6491 10.6587 12.1726 12.1781 12.3879 12.3936 k = 0.5357-0.0206 0.5541 ( 934 PWs) bands (ev): -3.9415 -3.9392 0.2345 0.2483 1.9013 1.9176 2.5702 2.5743 9.1847 9.1879 10.7042 10.7140 12.0675 12.0724 12.2404 12.2451 k = 0.5298-0.0172 0.5638 ( 939 PWs) bands (ev): -3.9361 -3.9338 0.2413 0.2554 1.9199 1.9373 2.5071 2.5116 9.3015 9.3046 10.7723 10.7823 11.9691 11.9725 12.0973 12.1001 k = 0.5238-0.0137 0.5735 ( 939 PWs) bands (ev): -3.9313 -3.9289 0.2472 0.2614 1.9370 1.9555 2.4521 2.4572 9.4016 9.4043 10.8565 10.8667 11.8740 11.8748 11.9632 11.9653 k = 0.5179-0.0103 0.5832 ( 939 PWs) bands (ev): -3.9272 -3.9248 0.2519 0.2664 1.9513 1.9712 2.4069 2.4128 9.4810 9.4831 10.9585 10.9690 11.7631 11.7700 11.8506 11.8594 k = 0.5119-0.0069 0.5929 ( 937 PWs) bands (ev): -3.9240 -3.9216 0.2554 0.2699 1.9619 1.9830 2.3736 2.3802 9.5373 9.5387 11.0777 11.0887 11.6364 11.6442 11.7754 11.7862 k = 0.5060-0.0034 0.6027 ( 932 PWs) bands (ev): -3.9220 -3.9196 0.2574 0.2721 1.9679 1.9898 2.3534 2.3607 9.5702 9.5709 11.2078 11.2210 11.5080 11.5136 11.7265 11.7376 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -3.9213 -3.9189 0.2581 0.2728 1.9696 1.9919 2.3469 2.3543 9.5808 9.5810 11.3002 11.3212 11.4185 11.4206 11.7060 11.7173 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -3.9213 -3.9189 0.2581 0.2728 1.9696 1.9919 2.3469 2.3543 9.5808 9.5810 11.3002 11.3212 11.4185 11.4206 11.7060 11.7173 k = 0.5000 0.0069 0.6027 ( 932 PWs) bands (ev): -3.9226 -3.9202 0.2584 0.2731 1.9637 1.9855 2.3576 2.3646 9.5778 9.5788 11.2919 11.3114 11.4043 11.4075 11.7365 11.7470 k = 0.5000 0.0137 0.5929 ( 936 PWs) bands (ev): -3.9267 -3.9243 0.2592 0.2739 1.9479 1.9686 2.3872 2.3935 9.5696 9.5716 11.2542 11.2671 11.3953 11.3998 11.8083 11.8175 k = 0.5000 0.0206 0.5832 ( 942 PWs) bands (ev): -3.9334 -3.9310 0.2603 0.2750 1.9268 1.9463 2.4309 2.4366 9.5569 9.5597 11.1858 11.1940 11.4107 11.4188 11.8978 11.9061 k = 0.5000 0.0275 0.5735 ( 942 PWs) bands (ev): -3.9428 -3.9404 0.2614 0.2761 1.9048 1.9233 2.4844 2.4897 9.5402 9.5438 11.1045 11.1108 11.4441 11.4541 11.9960 12.0036 k = 0.5000 0.0344 0.5638 ( 942 PWs) bands (ev): -3.9545 -3.9522 0.2621 0.2766 1.8850 1.9026 2.5448 2.5499 9.5201 9.5246 11.0187 11.0245 11.4898 11.5008 12.0987 12.1057 k = 0.5000 0.0412 0.5541 ( 938 PWs) bands (ev): -3.9687 -3.9663 0.2617 0.2761 1.8697 1.8867 2.6100 2.6150 9.4976 9.5027 10.9318 10.9374 11.5455 11.5572 12.2041 12.2108 k = 0.5000 0.0481 0.5443 ( 934 PWs) bands (ev): -3.9850 -3.9827 0.2598 0.2741 1.8607 1.8772 2.6789 2.6839 9.4735 9.4792 10.8452 10.8509 11.6099 11.6221 12.3112 12.3174 k = 0.5000 0.0550 0.5346 ( 936 PWs) bands (ev): -4.0033 -4.0011 0.2559 0.2699 1.8591 1.8750 2.7505 2.7554 9.4481 9.4544 10.7596 10.7654 11.6816 11.6942 12.4186 12.4244 k = 0.5000 0.0619 0.5249 ( 936 PWs) bands (ev): -4.0235 -4.0213 0.2495 0.2631 1.8658 1.8811 2.8241 2.8290 9.4224 9.4292 10.6754 10.6813 11.7601 11.7730 12.5258 12.5311 k = 0.5000 0.0687 0.5152 ( 934 PWs) bands (ev): -4.0453 -4.0431 0.2403 0.2534 1.8812 1.8960 2.8993 2.9041 9.3972 9.4045 10.5929 10.5989 11.8443 11.8576 12.6313 12.6361 k = 0.5000 0.0756 0.5055 ( 934 PWs) bands (ev): -4.0686 -4.0664 0.2280 0.2407 1.9058 1.9199 2.9754 2.9802 9.3726 9.3803 10.5119 10.5181 11.9338 11.9476 12.7329 12.7372 k = 0.5000 0.0825 0.4957 ( 936 PWs) bands (ev): -4.0930 -4.0910 0.2127 0.2248 1.9394 1.9529 3.0522 3.0569 9.3493 9.3574 10.4328 10.4391 12.0276 12.0417 12.8278 12.8314 k = 0.5000 0.0894 0.4860 ( 936 PWs) bands (ev): -4.1186 -4.1166 0.1945 0.2059 1.9820 1.9949 3.1293 3.1339 9.3276 9.3361 10.3556 10.3621 12.1256 12.1402 12.9105 12.9136 k = 0.5000 0.0962 0.4763 ( 936 PWs) bands (ev): -4.1449 -4.1430 0.1735 0.1843 2.0333 2.0455 3.2064 3.2109 9.3079 9.3167 10.2804 10.2872 12.2266 12.2419 12.9721 12.9751 k = 0.5000 0.1031 0.4666 ( 942 PWs) bands (ev): -4.1720 -4.1701 0.1501 0.1603 2.0928 2.1043 3.2830 3.2874 9.2902 9.2994 10.2072 10.2142 12.3293 12.3455 12.9991 13.0027 k = 0.5000 0.1100 0.4568 ( 942 PWs) bands (ev): -4.1994 -4.1976 0.1246 0.1342 2.1599 2.1707 3.3590 3.3633 9.2748 9.2843 10.1363 10.1436 12.4325 12.4500 12.9785 12.9830 k = 0.5000 0.1168 0.4471 ( 944 PWs) bands (ev): -4.2272 -4.2254 0.0976 0.1065 2.2341 2.2443 3.4341 3.4383 9.2615 9.2713 10.0678 10.0754 12.5300 12.5501 12.9092 12.9145 k = 0.5000 0.1237 0.4374 ( 942 PWs) bands (ev): -4.2550 -4.2533 0.0692 0.0775 2.3148 2.3244 3.5080 3.5121 9.2504 9.2605 10.0020 10.0098 12.5949 12.6188 12.8272 12.8345 k = 0.5000 0.1306 0.4277 ( 942 PWs) bands (ev): -4.2828 -4.2812 0.0400 0.0477 2.4014 2.4105 3.5804 3.5844 9.2408 9.2513 9.9391 9.9473 12.5397 12.5560 12.8462 12.8474 k = 0.5000 0.1375 0.4180 ( 942 PWs) bands (ev): -4.3104 -4.3088 0.0103 0.0174 2.4934 2.5019 3.6511 3.6549 9.2323 9.2431 9.8799 9.8884 12.3923 12.4026 12.9347 12.9416 k = 0.5000 0.1443 0.4082 ( 948 PWs) bands (ev): -4.3376 -4.3361 -0.0197 -0.0131 2.5901 2.5982 3.7198 3.7235 9.2236 9.2346 9.8251 9.8338 12.2196 12.2273 13.0397 13.0491 k = 0.5000 0.1512 0.3985 ( 944 PWs) bands (ev): -4.3643 -4.3629 -0.0495 -0.0434 2.6911 2.6986 3.7863 3.7899 9.2136 9.2248 9.7762 9.7851 12.0402 12.0464 13.1488 13.1594 k = 0.5000 0.1581 0.3888 ( 944 PWs) bands (ev): -4.3904 -4.3891 -0.0791 -0.0734 2.7957 2.8028 3.8505 3.8540 9.2001 9.2112 9.7347 9.7435 11.8597 11.8648 13.2575 13.2688 k = 0.5000 0.1650 0.3791 ( 944 PWs) bands (ev): -4.4158 -4.4145 -0.1080 -0.1028 2.9035 2.9102 3.9121 3.9154 9.1809 9.1915 9.7026 9.7111 11.6817 11.6860 13.3633 13.3752 k = 0.5000 0.1718 0.3694 ( 942 PWs) bands (ev): -4.4403 -4.4391 -0.1362 -0.1314 3.0138 3.0201 3.9709 3.9741 9.1539 9.1637 9.6816 9.6894 11.5088 11.5125 13.4644 13.4765 k = 0.5000 0.1787 0.3596 ( 938 PWs) bands (ev): -4.4639 -4.4628 -0.1635 -0.1591 3.1261 3.1320 4.0268 4.0298 9.1175 9.1262 9.6727 9.6795 11.3421 11.3452 13.5587 13.5709 k = 0.5000 0.1856 0.3499 ( 938 PWs) bands (ev): -4.4865 -4.4854 -0.1896 -0.1856 3.2398 3.2454 4.0796 4.0825 9.0713 9.0787 9.6753 9.6809 11.1832 11.1859 13.6430 13.6551 k = 0.5000 0.1925 0.3402 ( 944 PWs) bands (ev): -4.5080 -4.5070 -0.2146 -0.2109 3.3542 3.3595 4.1293 4.1320 9.0159 9.0220 9.6879 9.6923 11.0332 11.0355 13.7147 13.7267 k = 0.5000 0.1993 0.3305 ( 936 PWs) bands (ev): -4.5283 -4.5273 -0.2382 -0.2348 3.4687 3.4736 4.1757 4.1783 8.9525 8.9575 9.7094 9.7128 10.8939 10.8958 13.7721 13.7836 k = 0.5000 0.2062 0.3208 ( 936 PWs) bands (ev): -4.5473 -4.5464 -0.2604 -0.2573 3.5824 3.5871 4.2188 4.2212 8.8822 8.8863 9.7373 9.7399 10.7652 10.7667 13.8122 13.8230 k = 0.5000 0.2131 0.3110 ( 936 PWs) bands (ev): -4.5650 -4.5642 -0.2811 -0.2783 3.6945 3.6989 4.2585 4.2607 8.8065 8.8099 9.7703 9.7721 10.6481 10.6493 13.8343 13.8442 k = 0.5000 0.2199 0.3013 ( 936 PWs) bands (ev): -4.5814 -4.5807 -0.3001 -0.2977 3.8041 3.8081 4.2948 4.2968 8.7269 8.7298 9.8066 9.8080 10.5428 10.5438 13.8387 13.8476 k = 0.5000 0.2268 0.2916 ( 934 PWs) bands (ev): -4.5963 -4.5957 -0.3176 -0.3154 3.9100 3.9137 4.3277 4.3295 8.6452 8.6476 9.8452 9.8461 10.4495 10.4503 13.8274 13.8352 k = 0.5000 0.2337 0.2819 ( 936 PWs) bands (ev): -4.6098 -4.6092 -0.3333 -0.3313 4.0110 4.0144 4.3571 4.3587 8.5631 8.5652 9.8843 9.8850 10.3678 10.3684 13.8036 13.8103 k = 0.5000 0.2406 0.2722 ( 936 PWs) bands (ev): -4.6218 -4.6212 -0.3472 -0.3455 4.1056 4.1087 4.3832 4.3846 8.4827 8.4846 9.9231 9.9235 10.2975 10.2979 13.7711 13.7767 k = 0.5000 0.2474 0.2624 ( 936 PWs) bands (ev): -4.6322 -4.6318 -0.3594 -0.3579 4.1924 4.1952 4.4059 4.4071 8.4063 8.4079 9.9601 9.9604 10.2382 10.2385 13.7338 13.7385 k = 0.5000 0.2543 0.2527 ( 936 PWs) bands (ev): -4.6411 -4.6407 -0.3697 -0.3685 4.2696 4.2720 4.4254 4.4264 8.3362 8.3376 9.9941 9.9943 10.1892 10.1894 13.6956 13.6993 k = 0.5000 0.2612 0.2430 ( 936 PWs) bands (ev): -4.6483 -4.6481 -0.3781 -0.3772 4.3352 4.3372 4.4420 4.4428 8.2748 8.2760 10.0238 10.0240 10.1500 10.1502 13.6596 13.6626 k = 0.5000 0.2681 0.2333 ( 942 PWs) bands (ev): -4.6540 -4.6538 -0.3847 -0.3840 4.3871 4.3887 4.4563 4.4568 8.2243 8.2252 10.0481 10.0483 10.1201 10.1202 13.6288 13.6310 k = 0.5000 0.2749 0.2236 ( 942 PWs) bands (ev): -4.6581 -4.6579 -0.3894 -0.3889 4.4227 4.4237 4.4694 4.4697 8.1867 8.1873 10.0658 10.0660 10.0996 10.0996 13.6053 13.6068 k = 0.5000 0.2818 0.2138 ( 946 PWs) bands (ev): -4.6605 -4.6604 -0.3922 -0.3919 4.4413 4.4417 4.4807 4.4807 8.1635 8.1638 10.0750 10.0751 10.0892 10.0892 13.5907 13.5914 k = 0.5000 0.2887 0.2041 ( 960 PWs) bands (ev): -4.6613 -4.6613 -0.3930 -0.3930 4.4466 4.4466 4.4854 4.4854 8.1557 8.1557 10.0758 10.0758 10.0876 10.0876 13.5859 13.5859 k = 0.5000 0.2887 0.2041 ( 960 PWs) bands (ev): -4.6613 -4.6613 -0.3930 -0.3930 4.4466 4.4466 4.4854 4.4854 8.1557 8.1557 10.0758 10.0758 10.0876 10.0876 13.5859 13.5859 k = 0.4965 0.2867 0.2155 ( 944 PWs) bands (ev): -4.6605 -4.6604 -0.3921 -0.3919 4.4412 4.4416 4.4806 4.4806 8.1637 8.1640 10.0749 10.0750 10.0893 10.0893 13.5908 13.5915 k = 0.4931 0.2847 0.2268 ( 938 PWs) bands (ev): -4.6580 -4.6579 -0.3893 -0.3888 4.4221 4.4232 4.4692 4.4694 8.1873 8.1880 10.0657 10.0658 10.1000 10.1000 13.6057 13.6072 k = 0.4896 0.2827 0.2381 ( 938 PWs) bands (ev): -4.6539 -4.6537 -0.3845 -0.3838 4.3856 4.3871 4.4562 4.4564 8.2257 8.2266 10.0481 10.0482 10.1205 10.1206 13.6297 13.6319 k = 0.4861 0.2807 0.2495 ( 938 PWs) bands (ev): -4.6481 -4.6478 -0.3778 -0.3769 4.3324 4.3343 4.4421 4.4423 8.2770 8.2781 10.0246 10.0248 10.1497 10.1497 13.6610 13.6640 k = 0.4826 0.2787 0.2608 ( 938 PWs) bands (ev): -4.6406 -4.6403 -0.3692 -0.3680 4.2650 4.2672 4.4259 4.4262 8.3389 8.3403 9.9974 9.9976 10.1872 10.1872 13.6975 13.7013 k = 0.4792 0.2766 0.2722 ( 938 PWs) bands (ev): -4.6316 -4.6311 -0.3587 -0.3572 4.1855 4.1880 4.4073 4.4075 8.4086 8.4102 9.9688 9.9690 10.2327 10.2327 13.7361 13.7408 k = 0.4757 0.2746 0.2835 ( 938 PWs) bands (ev): -4.6209 -4.6204 -0.3463 -0.3446 4.0958 4.0986 4.3861 4.3863 8.4826 8.4843 9.9418 9.9419 10.2861 10.2861 13.7733 13.7790 k = 0.4722 0.2726 0.2948 ( 937 PWs) bands (ev): -4.6087 -4.6081 -0.3320 -0.3301 3.9976 4.0007 4.3625 4.3626 8.5568 8.5586 9.9201 9.9202 10.3470 10.3470 13.8050 13.8119 k = 0.4688 0.2706 0.3062 ( 936 PWs) bands (ev): -4.5950 -4.5943 -0.3160 -0.3138 3.8924 3.8958 4.3365 4.3366 8.6263 8.6280 9.9080 9.9080 10.4156 10.4156 13.8269 13.8348 k = 0.4653 0.2686 0.3175 ( 938 PWs) bands (ev): -4.5798 -4.5790 -0.2983 -0.2958 3.7816 3.7853 4.3084 4.3085 8.6858 8.6874 9.9102 9.9105 10.4910 10.4910 13.8344 13.8434 k = 0.4618 0.2666 0.3289 ( 938 PWs) bands (ev): -4.5631 -4.5623 -0.2788 -0.2760 3.6665 3.6704 4.2783 4.2785 8.7303 8.7317 9.9319 9.9325 10.5733 10.5733 13.8240 13.8338 k = 0.4583 0.2646 0.3402 ( 940 PWs) bands (ev): -4.5450 -4.5442 -0.2578 -0.2547 3.5480 3.5522 4.2466 4.2468 8.7560 8.7573 9.9760 9.9769 10.6623 10.6623 13.7931 13.8036 k = 0.4549 0.2626 0.3515 ( 942 PWs) bands (ev): -4.5257 -4.5247 -0.2352 -0.2318 3.4272 3.4317 4.2135 4.2136 8.7620 8.7630 10.0435 10.0448 10.7575 10.7575 13.7416 13.7525 k = 0.4514 0.2606 0.3629 ( 942 PWs) bands (ev): -4.5050 -4.5040 -0.2112 -0.2075 3.3050 3.3098 4.1791 4.1792 8.7498 8.7505 10.1327 10.1344 10.8588 10.8588 13.6709 13.6820 k = 0.4479 0.2586 0.3742 ( 941 PWs) bands (ev): -4.4832 -4.4821 -0.1859 -0.1818 3.1822 3.1873 4.1438 4.1439 8.7224 8.7229 10.2400 10.2420 10.9660 10.9660 13.5840 13.5950 k = 0.4444 0.2566 0.3856 ( 939 PWs) bands (ev): -4.4603 -4.4591 -0.1594 -0.1550 3.0595 3.0649 4.1076 4.1077 8.6835 8.6838 10.3612 10.3636 11.0789 11.0789 13.4845 13.4952 k = 0.4410 0.2546 0.3969 ( 939 PWs) bands (ev): -4.4364 -4.4351 -0.1319 -0.1271 2.9376 2.9433 4.0709 4.0710 8.6362 8.6364 10.4926 10.4952 11.1968 11.1968 13.3761 13.3864 k = 0.4375 0.2526 0.4082 ( 941 PWs) bands (ev): -4.4115 -4.4102 -0.1036 -0.0983 2.8171 2.8232 4.0339 4.0339 8.5831 8.5831 10.6304 10.6334 11.3196 11.3196 13.2624 13.2722 k = 0.4340 0.2506 0.4196 ( 938 PWs) bands (ev): -4.3859 -4.3846 -0.0747 -0.0689 2.6988 2.7052 3.9966 3.9967 8.5261 8.5263 10.7717 10.7751 11.4473 11.4473 13.1471 13.1563 k = 0.4306 0.2486 0.4309 ( 938 PWs) bands (ev): -4.3596 -4.3582 -0.0454 -0.0391 2.5832 2.5901 3.9594 3.9594 8.4669 8.4671 10.9127 10.9164 11.5792 11.5792 13.0337 13.0424 k = 0.4271 0.2466 0.4423 ( 940 PWs) bands (ev): -4.3328 -4.3313 -0.0160 -0.0092 2.4711 2.4784 3.9223 3.9223 8.4063 8.4066 11.0492 11.0535 11.7151 11.7151 12.9269 12.9348 k = 0.4236 0.2446 0.4536 ( 944 PWs) bands (ev): -4.3057 -4.3041 0.0131 0.0204 2.3632 2.3709 3.8855 3.8856 8.3454 8.3458 11.1757 11.1805 11.8548 11.8548 12.8321 12.8393 k = 0.4201 0.2426 0.4649 ( 940 PWs) bands (ev): -4.2783 -4.2766 0.0414 0.0493 2.2602 2.2684 3.8492 3.8493 8.2849 8.2854 11.2848 11.2903 11.9983 11.9984 12.7574 12.7638 k = 0.4167 0.2406 0.4763 ( 940 PWs) bands (ev): -4.2508 -4.2492 0.0686 0.0771 2.1629 2.1717 3.8135 3.8136 8.2253 8.2258 11.3666 11.3729 12.1450 12.1450 12.7125 12.7179 k = 0.4132 0.2386 0.4876 ( 944 PWs) bands (ev): -4.2236 -4.2218 0.0941 0.1033 2.0722 2.0815 3.7785 3.7786 8.1668 8.1674 11.4111 11.4182 12.2940 12.2941 12.7071 12.7116 k = 0.4097 0.2366 0.4990 ( 944 PWs) bands (ev): -4.1967 -4.1949 0.1174 0.1271 1.9889 1.9988 3.7444 3.7444 8.1100 8.1106 11.4133 11.4210 12.4456 12.4457 12.7466 12.7505 k = 0.4062 0.2345 0.5103 ( 943 PWs) bands (ev): -4.1704 -4.1686 0.1377 0.1481 1.9141 1.9246 3.7112 3.7113 8.0550 8.0558 11.3762 11.3842 12.5986 12.5987 12.8282 12.8317 k = 0.4028 0.2325 0.5217 ( 945 PWs) bands (ev): -4.1450 -4.1431 0.1546 0.1656 1.8487 1.8597 3.6790 3.6791 8.0021 8.0029 11.3082 11.3164 12.7524 12.7524 12.9423 12.9457 k = 0.3993 0.2305 0.5330 ( 941 PWs) bands (ev): -4.1206 -4.1187 0.1675 0.1790 1.7935 1.8050 3.6481 3.6481 7.9515 7.9523 11.2194 11.2275 12.9063 12.9063 13.0795 13.0831 k = 0.3958 0.2285 0.5443 ( 945 PWs) bands (ev): -4.0977 -4.0957 0.1759 0.1879 1.7492 1.7611 3.6183 3.6184 7.9031 7.9040 11.1164 11.1244 13.0587 13.0587 13.2316 13.2355 k = 0.3924 0.2265 0.5557 ( 943 PWs) bands (ev): -4.0764 -4.0744 0.1798 0.1921 1.7165 1.7286 3.5898 3.5899 7.8572 7.8582 11.0052 11.0131 13.2084 13.2085 13.3925 13.3968 k = 0.3889 0.2245 0.5670 ( 943 PWs) bands (ev): -4.0570 -4.0550 0.1792 0.1917 1.6955 1.7078 3.5627 3.5628 7.8139 7.8150 10.8886 10.8964 13.3525 13.3525 13.5574 13.5624 k = 0.3854 0.2225 0.5784 ( 941 PWs) bands (ev): -4.0400 -4.0379 0.1747 0.1872 1.6860 1.6983 3.5371 3.5372 7.7734 7.7746 10.7693 10.7768 13.4884 13.4885 13.7215 13.7273 k = 0.3819 0.2205 0.5897 ( 941 PWs) bands (ev): -4.0255 -4.0234 0.1668 0.1792 1.6877 1.6999 3.5130 3.5130 7.7356 7.7368 10.6487 10.6561 13.6126 13.6126 13.8775 13.8844 k = 0.3785 0.2185 0.6010 ( 939 PWs) bands (ev): -4.0138 -4.0118 0.1567 0.1689 1.6998 1.7117 3.4904 3.4904 7.7006 7.7018 10.5279 10.5352 13.7215 13.7215 14.0155 14.0235 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -4.0054 -4.0033 0.1454 0.1572 1.7215 1.7330 3.4694 3.4695 7.6683 7.6697 10.4078 10.4149 13.8119 13.8119 14.1208 14.1293 k = 0.6190-0.0825 0.4082 ( 937 PWs) bands (ev): -3.9947 -3.9927 0.1256 0.1367 1.7699 1.7809 3.4354 3.4355 7.6163 7.6178 10.2030 10.2099 13.9504 13.9505 14.2660 14.2743 k = 0.6131-0.0928 0.4082 ( 951 PWs) bands (ev): -3.9860 -3.9840 0.1053 0.1158 1.8257 1.8359 3.4029 3.4030 7.5655 7.5671 9.9991 10.0058 14.0904 14.0905 14.4119 14.4202 k = 0.6071-0.1031 0.4082 ( 951 PWs) bands (ev): -3.9789 -3.9771 0.0848 0.0946 1.8881 1.8976 3.3718 3.3719 7.5163 7.5180 9.7976 9.8041 14.2332 14.2332 14.5609 14.5694 k = 0.6012-0.1134 0.4082 ( 951 PWs) bands (ev): -3.9735 -3.9717 0.0643 0.0733 1.9565 1.9654 3.3421 3.3422 7.4682 7.4701 9.5993 9.6056 14.3778 14.3778 14.7118 14.7205 k = 0.5952-0.1237 0.4082 ( 951 PWs) bands (ev): -3.9694 -3.9677 0.0439 0.0522 2.0302 2.0384 3.3140 3.3141 7.4213 7.4233 9.4053 9.4115 14.5241 14.5242 14.8643 14.8734 k = 0.5893-0.1340 0.4082 ( 950 PWs) bands (ev): -3.9665 -3.9649 0.0238 0.0315 2.1084 2.1161 3.2873 3.2875 7.3751 7.3773 9.2167 9.2228 14.6720 14.6721 15.0182 15.0279 k = 0.5833-0.1443 0.4082 ( 948 PWs) bands (ev): -3.9647 -3.9631 0.0042 0.0112 2.1904 2.1974 3.2623 3.2624 7.3297 7.3319 9.0345 9.0404 14.8213 14.8213 15.1738 15.1842 k = 0.5774-0.1546 0.4082 ( 952 PWs) bands (ev): -3.9637 -3.9622 -0.0147 -0.0083 2.2752 2.2816 3.2389 3.2390 7.2845 7.2869 8.8593 8.8651 14.9714 14.9715 15.3295 15.3410 k = 0.5714-0.1650 0.4082 ( 952 PWs) bands (ev): -3.9634 -3.9621 -0.0328 -0.0270 2.3619 2.3677 3.2171 3.2172 7.2394 7.2419 8.6931 8.6987 15.1224 15.1224 15.4859 15.4990 k = 0.5655-0.1753 0.4082 ( 948 PWs) bands (ev): -3.9637 -3.9624 -0.0499 -0.0446 2.4494 2.4548 3.1969 3.1971 7.1939 7.1965 8.5369 8.5424 15.2737 15.2737 15.6418 15.6573 k = 0.5595-0.1856 0.4082 ( 954 PWs) bands (ev): -3.9645 -3.9633 -0.0659 -0.0612 2.5367 2.5415 3.1785 3.1787 7.1478 7.1504 8.3917 8.3970 15.4245 15.4246 15.7945 15.8134 k = 0.5536-0.1959 0.4082 ( 954 PWs) bands (ev): -3.9655 -3.9644 -0.0806 -0.0765 2.6225 2.6269 3.1617 3.1619 7.1008 7.1034 8.2593 8.2643 15.5744 15.5745 15.9407 15.9638 k = 0.5476-0.2062 0.4082 ( 954 PWs) bands (ev): -3.9667 -3.9657 -0.0940 -0.0904 2.7055 2.7095 3.1467 3.1469 7.0530 7.0555 8.1407 8.1454 15.7223 15.7225 16.0711 16.0937 k = 0.5417-0.2165 0.4082 ( 950 PWs) bands (ev): -3.9680 -3.9671 -0.1060 -0.1029 2.7844 2.7879 3.1334 3.1336 7.0050 7.0073 8.0369 8.0412 15.8672 15.8673 16.1794 16.1951 k = 0.5357-0.2268 0.4082 ( 950 PWs) bands (ev): -3.9693 -3.9685 -0.1166 -0.1139 2.8574 2.8605 3.1219 3.1222 6.9573 6.9594 7.9484 7.9522 16.0067 16.0069 16.2686 16.2786 k = 0.5298-0.2371 0.4082 ( 950 PWs) bands (ev): -3.9705 -3.9699 -0.1255 -0.1233 2.9230 2.9258 3.1121 3.1125 6.9117 6.9135 7.8752 7.8784 16.1385 16.1388 16.3433 16.3497 k = 0.5238-0.2474 0.4082 ( 946 PWs) bands (ev): -3.9715 -3.9711 -0.1329 -0.1312 2.9796 2.9819 3.1043 3.1048 6.8699 6.8714 7.8170 7.8196 16.2591 16.2595 16.4052 16.4092 k = 0.5179-0.2577 0.4082 ( 942 PWs) bands (ev): -3.9724 -3.9720 -0.1386 -0.1373 3.0253 3.0273 3.0985 3.0991 6.8344 6.8356 7.7731 7.7751 16.3635 16.3641 16.4544 16.4567 k = 0.5119-0.2681 0.4082 ( 942 PWs) bands (ev): -3.9730 -3.9728 -0.1427 -0.1418 3.0581 3.0598 3.0953 3.0960 6.8072 6.8080 7.7425 7.7439 16.4451 16.4460 16.4908 16.4916 k = 0.5060-0.2784 0.4082 ( 942 PWs) bands (ev): -3.9734 -3.9733 -0.1450 -0.1446 3.0757 3.0768 3.0963 3.0969 6.7901 6.7905 7.7246 7.7253 16.4960 16.4974 16.5145 16.5151 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -3.9735 -3.9735 -0.1457 -0.1457 3.0801 3.0801 3.0988 3.0988 6.7844 6.7844 7.7190 7.7190 16.5117 16.5117 16.5258 16.5258 Writing output data file AlP.save init_run : 2.18s CPU 11.94s WALL ( 1 calls) electrons : 81.81s CPU 85.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.19s CPU 1.09s WALL ( 1 calls) Called by electrons: c_bands : 81.79s CPU 85.67s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.67s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.34s WALL ( 1 calls) newd : 0.38s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 387 calls) cegterg : 59.28s CPU 60.17s WALL ( 518 calls) Called by sum_band: Called by *egterg: h_psi : 33.26s CPU 36.93s WALL ( 8953 calls) s_psi : 0.42s CPU 0.94s WALL ( 8953 calls) g_psi : 0.04s CPU 0.06s WALL ( 8048 calls) cdiaghg : 15.46s CPU 15.35s WALL ( 8435 calls) cegterg:over : 4.32s CPU 3.73s WALL ( 8048 calls) cegterg:upda : 0.20s CPU 0.35s WALL ( 8048 calls) cegterg:last : 0.09s CPU 0.28s WALL ( 1970 calls) Called by h_psi: h_psi:vloc : 29.41s CPU 33.28s WALL ( 8953 calls) h_psi:vnl : 3.84s CPU 3.51s WALL ( 8953 calls) add_vuspsi : 0.24s CPU 0.60s WALL ( 8953 calls) General routines calbec : 3.58s CPU 2.84s WALL ( 8953 calls) fft : 0.44s CPU 1.16s WALL ( 15 calls) fftw : 28.40s CPU 32.10s WALL ( 378208 calls) davcio : 0.02s CPU 0.34s WALL ( 774 calls) Parallel routines fft_scatter : 20.36s CPU 23.06s WALL ( 378223 calls) PWSCF : 1m42.18s CPU 3m 1.89s WALL This run was terminated on: 17:15:16 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. 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