Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:14:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 18 5 298 298 49 Max 19 19 6 300 300 52 Sum 649 649 199 10777 10777 1807 bravais-lattice index = 14 lattice parameter (alat) = 7.2558 a.u. unit-cell volume = 270.1071 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 176.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.255773 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 386 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0086207 -0.0049772 0.0070388), wk = 0.0025907 k( 3) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0025907 k( 4) = ( 0.0258621 -0.0149315 0.0211163), wk = 0.0025907 k( 5) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0025907 k( 6) = ( 0.0431035 -0.0248858 0.0351938), wk = 0.0025907 k( 7) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0025907 k( 8) = ( 0.0603448 -0.0348401 0.0492713), wk = 0.0025907 k( 9) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0025907 k( 10) = ( 0.0775862 -0.0447944 0.0633489), wk = 0.0025907 k( 11) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0025907 k( 12) = ( 0.0948276 -0.0547487 0.0774264), wk = 0.0025907 k( 13) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0025907 k( 14) = ( 0.1120690 -0.0647030 0.0915039), wk = 0.0025907 k( 15) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0025907 k( 16) = ( 0.1293103 -0.0746574 0.1055815), wk = 0.0025907 k( 17) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0025907 k( 18) = ( 0.1465517 -0.0846117 0.1196590), wk = 0.0025907 k( 19) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0025907 k( 20) = ( 0.1637931 -0.0945660 0.1337365), wk = 0.0025907 k( 21) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0025907 k( 22) = ( 0.1810345 -0.1045203 0.1478140), wk = 0.0025907 k( 23) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0025907 k( 24) = ( 0.1982759 -0.1144746 0.1618916), wk = 0.0025907 k( 25) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0025907 k( 26) = ( 0.2155172 -0.1244289 0.1759691), wk = 0.0025907 k( 27) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0025907 k( 28) = ( 0.2327586 -0.1343833 0.1900466), wk = 0.0025907 k( 29) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0025907 k( 30) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025907 k( 31) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0025907 k( 32) = ( 0.2672414 -0.1542919 0.2182017), wk = 0.0025907 k( 33) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0025907 k( 34) = ( 0.2844828 -0.1642462 0.2322792), wk = 0.0025907 k( 35) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0025907 k( 36) = ( 0.3017241 -0.1742005 0.2463567), wk = 0.0025907 k( 37) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0025907 k( 38) = ( 0.3189655 -0.1841548 0.2604343), wk = 0.0025907 k( 39) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0025907 k( 40) = ( 0.3362069 -0.1941091 0.2745118), wk = 0.0025907 k( 41) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0025907 k( 42) = ( 0.3534483 -0.2040635 0.2885893), wk = 0.0025907 k( 43) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0025907 k( 44) = ( 0.3706897 -0.2140178 0.3026668), wk = 0.0025907 k( 45) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0025907 k( 46) = ( 0.3879310 -0.2239721 0.3167444), wk = 0.0025907 k( 47) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0025907 k( 48) = ( 0.4051724 -0.2339264 0.3308219), wk = 0.0025907 k( 49) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0025907 k( 50) = ( 0.4224138 -0.2438807 0.3448994), wk = 0.0025907 k( 51) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0025907 k( 52) = ( 0.4396552 -0.2538350 0.3589769), wk = 0.0025907 k( 53) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0025907 k( 54) = ( 0.4568966 -0.2637893 0.3730545), wk = 0.0025907 k( 55) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0025907 k( 56) = ( 0.4741379 -0.2737437 0.3871320), wk = 0.0025907 k( 57) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0025907 k( 58) = ( 0.4913793 -0.2836980 0.4012095), wk = 0.0025907 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 k( 61) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0025907 k( 62) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0025907 k( 63) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0025907 k( 64) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0025907 k( 65) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0025907 k( 66) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0025907 k( 67) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0025907 k( 68) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0025907 k( 69) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0025907 k( 70) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0025907 k( 71) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0025907 k( 72) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0025907 k( 73) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0025907 k( 74) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0025907 k( 75) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0025907 k( 76) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0025907 k( 77) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0025907 k( 78) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0025907 k( 79) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0025907 k( 80) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0025907 k( 81) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0025907 k( 82) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0025907 k( 83) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0025907 k( 84) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0025907 k( 85) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0025907 k( 86) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0025907 k( 87) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0025907 k( 88) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0025907 k( 89) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 90) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 91) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025907 k( 92) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025907 k( 93) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025907 k( 94) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025907 k( 95) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025907 k( 96) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025907 k( 97) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025907 k( 98) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025907 k( 99) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025907 k( 100) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025907 k( 101) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025907 k( 102) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025907 k( 103) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025907 k( 104) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025907 k( 105) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025907 k( 106) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025907 k( 107) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025907 k( 108) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025907 k( 109) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025907 k( 110) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025907 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 112) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 113) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025907 k( 114) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025907 k( 115) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025907 k( 116) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025907 k( 117) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025907 k( 118) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025907 k( 119) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025907 k( 120) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025907 k( 121) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025907 k( 122) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025907 k( 123) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025907 k( 124) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025907 k( 125) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025907 k( 126) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025907 k( 127) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025907 k( 128) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025907 k( 129) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025907 k( 130) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025907 k( 131) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025907 k( 132) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025907 k( 133) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025907 k( 134) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025907 k( 135) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025907 k( 136) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025907 k( 137) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025907 k( 138) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025907 k( 139) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025907 k( 140) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025907 k( 141) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025907 k( 142) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025907 k( 143) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025907 k( 144) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025907 k( 145) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025907 k( 146) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025907 k( 147) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025907 k( 148) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025907 k( 149) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025907 k( 150) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025907 k( 151) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025907 k( 152) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025907 k( 153) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025907 k( 154) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025907 k( 155) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025907 k( 156) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025907 k( 157) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025907 k( 158) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025907 k( 159) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025907 k( 160) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025907 k( 161) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025907 k( 162) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025907 k( 163) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025907 k( 164) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025907 k( 165) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025907 k( 166) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025907 k( 167) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025907 k( 168) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025907 k( 169) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025907 k( 170) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025907 k( 171) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025907 k( 172) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025907 k( 173) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 176) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025907 k( 177) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025907 k( 178) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025907 k( 179) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025907 k( 180) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025907 k( 181) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025907 k( 182) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025907 k( 183) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025907 k( 184) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025907 k( 185) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025907 k( 186) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025907 k( 187) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025907 k( 188) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025907 k( 189) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025907 k( 190) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025907 k( 191) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025907 k( 192) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025907 k( 193) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025907 k( 194) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025907 k( 195) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025907 k( 196) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025907 k( 197) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025907 k( 198) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025907 k( 199) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025907 k( 200) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025907 k( 201) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025907 k( 202) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025907 k( 203) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025907 k( 204) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025907 k( 205) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025907 k( 206) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025907 k( 207) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025907 k( 208) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025907 k( 209) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025907 k( 210) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025907 k( 211) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025907 k( 212) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025907 k( 213) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025907 k( 214) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025907 k( 215) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025907 k( 216) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025907 k( 217) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025907 k( 218) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025907 k( 219) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025907 k( 220) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025907 k( 221) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025907 k( 222) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025907 k( 223) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025907 k( 224) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025907 k( 225) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025907 k( 226) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 227) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 228) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025907 k( 229) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025907 k( 230) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025907 k( 231) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025907 k( 232) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025907 k( 233) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025907 k( 234) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025907 k( 235) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025907 k( 236) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025907 k( 237) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025907 k( 238) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025907 k( 239) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025907 k( 240) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025907 k( 241) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025907 k( 242) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025907 k( 243) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025907 k( 244) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025907 k( 245) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025907 k( 246) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025907 k( 247) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025907 k( 248) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025907 k( 249) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025907 k( 250) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025907 k( 251) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025907 k( 252) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025907 k( 253) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025907 k( 254) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025907 k( 255) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025907 k( 256) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025907 k( 257) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025907 k( 258) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025907 k( 259) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025907 k( 260) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025907 k( 261) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025907 k( 262) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025907 k( 263) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 264) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 265) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025907 k( 266) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025907 k( 267) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025907 k( 268) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025907 k( 269) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025907 k( 270) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025907 k( 271) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025907 k( 272) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025907 k( 273) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025907 k( 274) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025907 k( 275) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025907 k( 276) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025907 k( 277) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025907 k( 278) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025907 k( 279) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025907 k( 280) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025907 k( 281) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025907 k( 282) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025907 k( 283) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025907 k( 284) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025907 k( 285) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 286) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 287) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0025907 k( 288) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0025907 k( 289) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0025907 k( 290) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0025907 k( 291) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0025907 k( 292) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0025907 k( 293) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0025907 k( 294) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0025907 k( 295) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0025907 k( 296) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0025907 k( 297) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0025907 k( 298) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0025907 k( 299) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0025907 k( 300) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0025907 k( 301) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0025907 k( 302) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0025907 k( 303) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0025907 k( 304) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0025907 k( 305) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0025907 k( 306) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0025907 k( 307) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0025907 k( 308) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0025907 k( 309) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0025907 k( 310) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0025907 k( 311) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0025907 k( 312) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0025907 k( 313) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0025907 k( 314) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0025907 k( 315) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0025907 k( 316) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0025907 k( 317) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0025907 k( 318) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0025907 k( 319) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0025907 k( 320) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0025907 k( 321) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0025907 k( 322) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0025907 k( 323) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0025907 k( 324) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0025907 k( 325) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0025907 k( 326) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0025907 k( 327) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 328) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 329) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025907 k( 330) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025907 k( 331) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025907 k( 332) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025907 k( 333) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025907 k( 334) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025907 k( 335) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025907 k( 336) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025907 k( 337) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025907 k( 338) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025907 k( 339) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025907 k( 340) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025907 k( 341) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025907 k( 342) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025907 k( 343) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025907 k( 344) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025907 k( 345) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025907 k( 346) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025907 k( 347) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025907 k( 348) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025907 k( 349) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025907 k( 350) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025907 k( 351) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025907 k( 352) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025907 k( 353) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025907 k( 354) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025907 k( 355) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025907 k( 356) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025907 k( 357) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025907 k( 358) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025907 k( 359) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025907 k( 360) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025907 k( 361) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025907 k( 362) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025907 k( 363) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025907 k( 364) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 365) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 366) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025907 k( 367) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025907 k( 368) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025907 k( 369) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025907 k( 370) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025907 k( 371) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025907 k( 372) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025907 k( 373) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025907 k( 374) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025907 k( 375) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025907 k( 376) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025907 k( 377) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025907 k( 378) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025907 k( 379) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025907 k( 380) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025907 k( 381) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025907 k( 382) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025907 k( 383) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025907 k( 384) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025907 k( 385) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025907 k( 386) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0086207 -0.0000000 0.0086207), wk = 0.0025907 k( 3) = ( 0.0172414 -0.0000000 0.0172414), wk = 0.0025907 k( 4) = ( 0.0258621 -0.0000000 0.0258621), wk = 0.0025907 k( 5) = ( 0.0344828 -0.0000000 0.0344828), wk = 0.0025907 k( 6) = ( 0.0431035 -0.0000000 0.0431034), wk = 0.0025907 k( 7) = ( 0.0517241 -0.0000000 0.0517241), wk = 0.0025907 k( 8) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025907 k( 9) = ( 0.0689655 -0.0000000 0.0689655), wk = 0.0025907 k( 10) = ( 0.0775862 -0.0000000 0.0775862), wk = 0.0025907 k( 11) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0025907 k( 12) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025907 k( 13) = ( 0.1034483 -0.0000000 0.1034483), wk = 0.0025907 k( 14) = ( 0.1120690 -0.0000000 0.1120690), wk = 0.0025907 k( 15) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025907 k( 16) = ( 0.1293103 -0.0000000 0.1293103), wk = 0.0025907 k( 17) = ( 0.1379310 -0.0000000 0.1379310), wk = 0.0025907 k( 18) = ( 0.1465517 -0.0000000 0.1465517), wk = 0.0025907 k( 19) = ( 0.1551724 -0.0000000 0.1551724), wk = 0.0025907 k( 20) = ( 0.1637931 -0.0000000 0.1637931), wk = 0.0025907 k( 21) = ( 0.1724138 -0.0000000 0.1724138), wk = 0.0025907 k( 22) = ( 0.1810345 -0.0000000 0.1810345), wk = 0.0025907 k( 23) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025907 k( 24) = ( 0.1982759 -0.0000000 0.1982759), wk = 0.0025907 k( 25) = ( 0.2068966 -0.0000000 0.2068965), wk = 0.0025907 k( 26) = ( 0.2155172 -0.0000000 0.2155172), wk = 0.0025907 k( 27) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025907 k( 28) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025907 k( 29) = ( 0.2413793 -0.0000000 0.2413793), wk = 0.0025907 k( 30) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025907 k( 31) = ( 0.2586207 -0.0000000 0.2586207), wk = 0.0025907 k( 32) = ( 0.2672414 -0.0000000 0.2672414), wk = 0.0025907 k( 33) = ( 0.2758621 -0.0000000 0.2758621), wk = 0.0025907 k( 34) = ( 0.2844828 -0.0000000 0.2844828), wk = 0.0025907 k( 35) = ( 0.2931034 -0.0000000 0.2931034), wk = 0.0025907 k( 36) = ( 0.3017241 -0.0000000 0.3017241), wk = 0.0025907 k( 37) = ( 0.3103448 -0.0000000 0.3103448), wk = 0.0025907 k( 38) = ( 0.3189655 -0.0000000 0.3189655), wk = 0.0025907 k( 39) = ( 0.3275862 -0.0000000 0.3275862), wk = 0.0025907 k( 40) = ( 0.3362069 -0.0000000 0.3362069), wk = 0.0025907 k( 41) = ( 0.3448276 -0.0000000 0.3448276), wk = 0.0025907 k( 42) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025907 k( 43) = ( 0.3620690 -0.0000000 0.3620690), wk = 0.0025907 k( 44) = ( 0.3706897 -0.0000000 0.3706897), wk = 0.0025907 k( 45) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025907 k( 46) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025907 k( 47) = ( 0.3965517 -0.0000000 0.3965517), wk = 0.0025907 k( 48) = ( 0.4051724 -0.0000000 0.4051724), wk = 0.0025907 k( 49) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0025907 k( 50) = ( 0.4224138 -0.0000000 0.4224138), wk = 0.0025907 k( 51) = ( 0.4310345 -0.0000000 0.4310345), wk = 0.0025907 k( 52) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025907 k( 53) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025907 k( 54) = ( 0.4568966 -0.0000000 0.4568965), wk = 0.0025907 k( 55) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025907 k( 56) = ( 0.4741379 -0.0000000 0.4741379), wk = 0.0025907 k( 57) = ( 0.4827586 -0.0000000 0.4827586), wk = 0.0025907 k( 58) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025907 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 61) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0025907 k( 62) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0025907 k( 63) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0025907 k( 64) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0025907 k( 65) = ( 0.5000000 0.0431034 0.5431034), wk = 0.0025907 k( 66) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0025907 k( 67) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0025907 k( 68) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0025907 k( 69) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0025907 k( 70) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0025907 k( 71) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0025907 k( 72) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0025907 k( 73) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0025907 k( 74) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0025907 k( 75) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0025907 k( 76) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0025907 k( 77) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0025907 k( 78) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0025907 k( 79) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0025907 k( 80) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0025907 k( 81) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0025907 k( 82) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0025907 k( 83) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0025907 k( 84) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0025907 k( 85) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0025907 k( 86) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0025907 k( 87) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0025907 k( 88) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0025907 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 90) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 91) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025907 k( 92) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025907 k( 93) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025907 k( 94) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025907 k( 95) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025907 k( 96) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025907 k( 97) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025907 k( 98) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025907 k( 99) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025907 k( 100) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025907 k( 101) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025907 k( 102) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025907 k( 103) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025907 k( 104) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025907 k( 105) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025907 k( 106) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025907 k( 107) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025907 k( 108) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025907 k( 109) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025907 k( 110) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025907 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 112) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 113) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025907 k( 114) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025907 k( 115) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025907 k( 116) = ( 0.3508064 0.3508064 0.7016129), wk = 0.0025907 k( 117) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025907 k( 118) = ( 0.3387097 0.3387097 0.6774193), wk = 0.0025907 k( 119) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025907 k( 120) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025907 k( 121) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025907 k( 122) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025907 k( 123) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025907 k( 124) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0025907 k( 125) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025907 k( 126) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025907 k( 127) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025907 k( 128) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025907 k( 129) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025907 k( 130) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025907 k( 131) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025907 k( 132) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025907 k( 133) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025907 k( 134) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025907 k( 135) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025907 k( 136) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025907 k( 137) = ( 0.2237903 0.2237903 0.4475807), wk = 0.0025907 k( 138) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025907 k( 139) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025907 k( 140) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025907 k( 141) = ( 0.1995968 0.1995968 0.3991935), wk = 0.0025907 k( 142) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025907 k( 143) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025907 k( 144) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025907 k( 145) = ( 0.1754032 0.1754032 0.3508064), wk = 0.0025907 k( 146) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025907 k( 147) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025907 k( 148) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025907 k( 149) = ( 0.1512097 0.1512097 0.3024193), wk = 0.0025907 k( 150) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025907 k( 151) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025907 k( 152) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025907 k( 153) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025907 k( 154) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025907 k( 155) = ( 0.1149194 0.1149193 0.2298387), wk = 0.0025907 k( 156) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025907 k( 157) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025907 k( 158) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025907 k( 159) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025907 k( 160) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025907 k( 161) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025907 k( 162) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025907 k( 163) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025907 k( 164) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025907 k( 165) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025907 k( 166) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025907 k( 167) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025907 k( 168) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025907 k( 169) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025907 k( 170) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025907 k( 171) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025907 k( 172) = ( 0.0120968 0.0120968 0.0241935), wk = 0.0025907 k( 173) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 176) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025907 k( 177) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025907 k( 178) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025907 k( 179) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025907 k( 180) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025907 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025907 k( 182) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0025907 k( 183) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025907 k( 184) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025907 k( 185) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025907 k( 186) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025907 k( 187) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025907 k( 188) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025907 k( 189) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025907 k( 190) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025907 k( 191) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0025907 k( 192) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025907 k( 193) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025907 k( 194) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025907 k( 195) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025907 k( 196) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0025907 k( 197) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025907 k( 198) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025907 k( 199) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025907 k( 200) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025907 k( 201) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025907 k( 202) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025907 k( 203) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025907 k( 204) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025907 k( 205) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025907 k( 206) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025907 k( 207) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025907 k( 208) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025907 k( 209) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025907 k( 210) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0025907 k( 211) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025907 k( 212) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025907 k( 213) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025907 k( 214) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025907 k( 215) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025907 k( 216) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025907 k( 217) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025907 k( 218) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025907 k( 219) = ( 0.4313726 0.4313726 0.4313725), wk = 0.0025907 k( 220) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025907 k( 221) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025907 k( 222) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025907 k( 223) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025907 k( 224) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025907 k( 225) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025907 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 228) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025907 k( 229) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025907 k( 230) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025907 k( 231) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025907 k( 232) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025907 k( 233) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025907 k( 234) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025907 k( 235) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025907 k( 236) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025907 k( 237) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025907 k( 238) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025907 k( 239) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025907 k( 240) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025907 k( 241) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025907 k( 242) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025907 k( 243) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025907 k( 244) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025907 k( 245) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025907 k( 246) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025907 k( 247) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025907 k( 248) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025907 k( 249) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025907 k( 250) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025907 k( 251) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025907 k( 252) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025907 k( 253) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025907 k( 254) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025907 k( 255) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025907 k( 256) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025907 k( 257) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025907 k( 258) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025907 k( 259) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025907 k( 260) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025907 k( 261) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025907 k( 262) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025907 k( 263) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 264) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 265) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025907 k( 266) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025907 k( 267) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025907 k( 268) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025907 k( 269) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025907 k( 270) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025907 k( 271) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025907 k( 272) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0025907 k( 273) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025907 k( 274) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025907 k( 275) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025907 k( 276) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025907 k( 277) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025907 k( 278) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025907 k( 279) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025907 k( 280) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025907 k( 281) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025907 k( 282) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025907 k( 283) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025907 k( 284) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025907 k( 285) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 286) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 287) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0025907 k( 288) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0025907 k( 289) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0025907 k( 290) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0025907 k( 291) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0025907 k( 292) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0025907 k( 293) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0025907 k( 294) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0025907 k( 295) = ( 0.5000000 0.3048781 0.6951219), wk = 0.0025907 k( 296) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0025907 k( 297) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0025907 k( 298) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0025907 k( 299) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0025907 k( 300) = ( 0.5000000 0.3353659 0.6646341), wk = 0.0025907 k( 301) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0025907 k( 302) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0025907 k( 303) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0025907 k( 304) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0025907 k( 305) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0025907 k( 306) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0025907 k( 307) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0025907 k( 308) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0025907 k( 309) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0025907 k( 310) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0025907 k( 311) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0025907 k( 312) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0025907 k( 313) = ( 0.5000000 0.4146341 0.5853658), wk = 0.0025907 k( 314) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0025907 k( 315) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0025907 k( 316) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0025907 k( 317) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0025907 k( 318) = ( 0.5000000 0.4451219 0.5548781), wk = 0.0025907 k( 319) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0025907 k( 320) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0025907 k( 321) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0025907 k( 322) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0025907 k( 323) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0025907 k( 324) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0025907 k( 325) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0025907 k( 326) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0025907 k( 327) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 329) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025907 k( 330) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025907 k( 331) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025907 k( 332) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025907 k( 333) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025907 k( 334) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025907 k( 335) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025907 k( 336) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025907 k( 337) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025907 k( 338) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025907 k( 339) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025907 k( 340) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025907 k( 341) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025907 k( 342) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025907 k( 343) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025907 k( 344) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025907 k( 345) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025907 k( 346) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025907 k( 347) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025907 k( 348) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025907 k( 349) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025907 k( 350) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025907 k( 351) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025907 k( 352) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025907 k( 353) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025907 k( 354) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025907 k( 355) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025907 k( 356) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025907 k( 357) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025907 k( 358) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025907 k( 359) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025907 k( 360) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025907 k( 361) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025907 k( 362) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025907 k( 363) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025907 k( 364) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 365) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 366) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025907 k( 367) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025907 k( 368) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025907 k( 369) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025907 k( 370) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025907 k( 371) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025907 k( 372) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025907 k( 373) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025907 k( 374) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025907 k( 375) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025907 k( 376) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025907 k( 377) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025907 k( 378) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025907 k( 379) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025907 k( 380) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025907 k( 381) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025907 k( 382) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025907 k( 383) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025907 k( 384) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025907 k( 385) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025907 k( 386) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 Dense grid: 10777 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 24) NL pseudopotentials 0.09 Mb ( 44, 136) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 299) G-vector shells 0.00 Mb ( 116) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 88, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.10 Mb ( 136, 2, 24) The potential is recalculated from file : ./Si.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.6 secs Computing kpt #: 5 total cpu time spent up to now is 1.7 secs Computing kpt #: 6 total cpu time spent up to now is 1.8 secs Computing kpt #: 7 total cpu time spent up to now is 1.9 secs Computing kpt #: 8 total cpu time spent up to now is 2.0 secs Computing kpt #: 9 total cpu time spent up to now is 2.2 secs Computing kpt #: 10 total cpu time spent up to now is 2.3 secs Computing kpt #: 11 total cpu time spent up to now is 2.4 secs Computing kpt #: 12 total cpu time spent up to now is 2.5 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.2 secs Computing kpt #: 18 total cpu time spent up to now is 3.3 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.1 secs Computing kpt #: 26 total cpu time spent up to now is 4.3 secs Computing kpt #: 27 total cpu time spent up to now is 4.4 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.7 secs Computing kpt #: 31 total cpu time spent up to now is 4.8 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.2 secs Computing kpt #: 35 total cpu time spent up to now is 5.3 secs Computing kpt #: 36 total cpu time spent up to now is 5.5 secs Computing kpt #: 37 total cpu time spent up to now is 5.6 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 5.9 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.7 secs Computing kpt #: 47 total cpu time spent up to now is 6.7 secs Computing kpt #: 48 total cpu time spent up to now is 6.8 secs Computing kpt #: 49 total cpu time spent up to now is 6.9 secs Computing kpt #: 50 total cpu time spent up to now is 7.0 secs Computing kpt #: 51 total cpu time spent up to now is 7.1 secs Computing kpt #: 52 total cpu time spent up to now is 7.2 secs Computing kpt #: 53 total cpu time spent up to now is 7.3 secs Computing kpt #: 54 total cpu time spent up to now is 7.4 secs Computing kpt #: 55 total cpu time spent up to now is 7.4 secs Computing kpt #: 56 total cpu time spent up to now is 7.5 secs Computing kpt #: 57 total cpu time spent up to now is 7.6 secs Computing kpt #: 58 total cpu time spent up to now is 7.7 secs Computing kpt #: 59 total cpu time spent up to now is 7.8 secs Computing kpt #: 60 total cpu time spent up to now is 7.8 secs Computing kpt #: 61 total cpu time spent up to now is 7.9 secs Computing kpt #: 62 total cpu time spent up to now is 8.0 secs Computing kpt #: 63 total cpu time spent up to now is 8.1 secs Computing kpt #: 64 total cpu time spent up to now is 8.2 secs Computing kpt #: 65 total cpu time spent up to now is 8.2 secs Computing kpt #: 66 total cpu time spent up to now is 8.3 secs Computing kpt #: 67 total cpu time spent up to now is 8.4 secs Computing kpt #: 68 total cpu time spent up to now is 8.5 secs Computing kpt #: 69 total cpu time spent up to now is 8.6 secs Computing kpt #: 70 total cpu time spent up to now is 8.7 secs Computing kpt #: 71 total cpu time spent up to now is 8.8 secs Computing kpt #: 72 total cpu time spent up to now is 8.9 secs Computing kpt #: 73 total cpu time spent up to now is 9.0 secs Computing kpt #: 74 total cpu time spent up to now is 9.1 secs Computing kpt #: 75 total cpu time spent up to now is 9.2 secs Computing kpt #: 76 total cpu time spent up to now is 9.3 secs Computing kpt #: 77 total cpu time spent up to now is 9.4 secs Computing kpt #: 78 total cpu time spent up to now is 9.5 secs Computing kpt #: 79 total cpu time spent up to now is 9.6 secs Computing kpt #: 80 total cpu time spent up to now is 9.7 secs Computing kpt #: 81 total cpu time spent up to now is 9.8 secs Computing kpt #: 82 total cpu time spent up to now is 9.9 secs Computing kpt #: 83 total cpu time spent up to now is 10.0 secs Computing kpt #: 84 total cpu time spent up to now is 10.1 secs Computing kpt #: 85 total cpu time spent up to now is 10.2 secs Computing kpt #: 86 total cpu time spent up to now is 10.3 secs Computing kpt #: 87 total cpu time spent up to now is 10.4 secs Computing kpt #: 88 total cpu time spent up to now is 10.5 secs Computing kpt #: 89 total cpu time spent up to now is 10.6 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.9 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.3 secs Computing kpt #: 96 total cpu time spent up to now is 11.4 secs Computing kpt #: 97 total cpu time spent up to now is 11.5 secs Computing kpt #: 98 total cpu time spent up to now is 11.6 secs Computing kpt #: 99 total cpu time spent up to now is 11.7 secs Computing kpt #: 100 total cpu time spent up to now is 11.8 secs Computing kpt #: 101 total cpu time spent up to now is 11.9 secs Computing kpt #: 102 total cpu 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13.7 secs Computing kpt #: 118 total cpu time spent up to now is 13.8 secs Computing kpt #: 119 total cpu time spent up to now is 13.9 secs Computing kpt #: 120 total cpu time spent up to now is 14.1 secs Computing kpt #: 121 total cpu time spent up to now is 14.2 secs Computing kpt #: 122 total cpu time spent up to now is 14.3 secs Computing kpt #: 123 total cpu time spent up to now is 14.4 secs Computing kpt #: 124 total cpu time spent up to now is 14.5 secs Computing kpt #: 125 total cpu time spent up to now is 14.6 secs Computing kpt #: 126 total cpu time spent up to now is 14.7 secs Computing kpt #: 127 total cpu time spent up to now is 14.9 secs Computing kpt #: 128 total cpu time spent up to now is 15.0 secs Computing kpt #: 129 total cpu time spent up to now is 15.1 secs Computing kpt #: 130 total cpu time spent up to now is 15.2 secs Computing kpt #: 131 total cpu time spent up to now is 15.3 secs Computing kpt #: 132 total cpu time spent up to now is 15.4 secs Computing kpt #: 133 total cpu time spent up to now is 15.6 secs Computing kpt #: 134 total cpu time spent up to now is 15.7 secs Computing kpt #: 135 total cpu time spent up to now is 15.8 secs Computing kpt #: 136 total cpu time spent up to now is 15.9 secs Computing kpt #: 137 total cpu time spent up to now is 16.0 secs Computing kpt #: 138 total cpu time spent up to now is 16.1 secs Computing kpt #: 139 total cpu time spent up to now is 16.2 secs Computing kpt #: 140 total cpu time spent up to now is 16.3 secs Computing kpt #: 141 total cpu time spent up to now is 16.4 secs Computing kpt #: 142 total cpu time spent up to now is 16.5 secs Computing kpt #: 143 total cpu time spent up to now is 16.6 secs Computing kpt #: 144 total cpu time spent up to now is 16.7 secs Computing kpt #: 145 total cpu time spent up to now is 16.8 secs Computing kpt #: 146 total cpu time spent up to now is 16.9 secs Computing kpt #: 147 total cpu time spent up to now is 17.0 secs Computing kpt #: 148 total cpu time spent up to now is 17.1 secs Computing kpt #: 149 total cpu time spent up to now is 17.2 secs Computing kpt #: 150 total cpu time spent up to now is 17.3 secs Computing kpt #: 151 total cpu time spent up to now is 17.4 secs Computing kpt #: 152 total cpu time spent up to now is 17.5 secs Computing kpt #: 153 total cpu time spent up to now is 17.6 secs Computing kpt #: 154 total cpu time spent up to now is 17.7 secs Computing kpt #: 155 total cpu time spent up to now is 17.8 secs Computing kpt #: 156 total cpu time spent up to now is 17.9 secs Computing kpt #: 157 total cpu time spent up to now is 18.0 secs Computing kpt #: 158 total cpu time spent up to now is 18.1 secs Computing kpt #: 159 total cpu time spent up to now is 18.2 secs Computing kpt #: 160 total cpu time spent up to now is 18.3 secs Computing kpt #: 161 total cpu time spent up to now is 18.4 secs Computing kpt #: 162 total cpu time spent up to now is 18.5 secs Computing kpt #: 163 total cpu time spent up to now is 18.6 secs Computing kpt #: 164 total cpu time spent up to now is 18.7 secs Computing kpt #: 165 total cpu time spent up to now is 18.8 secs Computing kpt #: 166 total cpu time spent up to now is 18.9 secs Computing kpt #: 167 total cpu time spent up to now is 19.0 secs Computing kpt #: 168 total cpu time spent up to now is 19.2 secs Computing kpt #: 169 total cpu time spent up to now is 19.3 secs Computing kpt #: 170 total cpu time spent up to now is 19.4 secs Computing kpt #: 171 total cpu time spent up to now is 19.6 secs Computing kpt #: 172 total cpu time spent up to now is 19.7 secs Computing kpt #: 173 total cpu time spent up to now is 19.8 secs Computing kpt #: 174 total cpu time spent up to now is 19.9 secs Computing kpt #: 175 total cpu time spent up to now is 20.0 secs Computing kpt #: 176 total cpu time spent up to now is 20.2 secs Computing kpt #: 177 total cpu time spent up to now is 20.3 secs Computing kpt #: 178 total cpu time spent up to now is 20.4 secs Computing kpt #: 179 total cpu time spent up to now is 20.6 secs Computing kpt #: 180 total cpu time spent up to now is 20.7 secs Computing kpt #: 181 total cpu time spent up to now is 20.8 secs Computing kpt #: 182 total cpu time spent up to now is 20.9 secs Computing kpt #: 183 total cpu time spent up to now is 21.0 secs Computing kpt #: 184 total cpu time spent up to now is 21.1 secs Computing kpt #: 185 total cpu time spent up to now is 21.3 secs Computing kpt #: 186 total cpu time spent up to now is 21.4 secs Computing kpt #: 187 total cpu time spent up to now is 21.5 secs Computing kpt #: 188 total cpu time spent up to now is 21.6 secs Computing kpt #: 189 total cpu time spent up to now is 21.7 secs Computing kpt #: 190 total cpu time spent up to now is 21.8 secs Computing kpt #: 191 total cpu time spent up to now is 21.9 secs Computing kpt #: 192 total cpu time spent up to now is 22.1 secs Computing kpt #: 193 total cpu time spent up to now is 22.2 secs Computing kpt #: 194 total cpu time spent up to now is 22.3 secs Computing kpt #: 195 total cpu time spent up to now is 22.4 secs Computing kpt #: 196 total cpu time spent up to now is 22.5 secs Computing kpt #: 197 total cpu time spent up to now is 22.6 secs Computing kpt #: 198 total cpu time spent up to now is 22.7 secs Computing kpt #: 199 total cpu time spent up to now is 22.8 secs Computing kpt #: 200 total cpu time spent up to now is 22.9 secs Computing kpt #: 201 total cpu time spent up to now is 23.1 secs Computing kpt #: 202 total cpu time spent up to now is 23.2 secs Computing kpt #: 203 total cpu time spent up to now is 23.3 secs Computing kpt #: 204 total cpu time spent up to now is 23.4 secs Computing kpt #: 205 total cpu time spent up to now is 23.5 secs Computing kpt #: 206 total cpu time spent up to now is 23.6 secs Computing kpt #: 207 total cpu time spent up to now is 23.7 secs Computing kpt #: 208 total cpu time spent up to now is 23.9 secs Computing kpt #: 209 total cpu time spent up to now is 24.0 secs Computing kpt #: 210 total cpu time spent up to now is 24.1 secs Computing kpt #: 211 total cpu time spent up to now is 24.2 secs Computing kpt #: 212 total cpu time spent up to now is 24.4 secs Computing kpt #: 213 total cpu time spent up to now is 24.5 secs Computing kpt #: 214 total cpu time spent up to now is 24.7 secs Computing kpt #: 215 total cpu time spent up to now is 24.8 secs Computing kpt #: 216 total cpu time spent up to now is 24.9 secs Computing kpt #: 217 total cpu time spent up to now is 25.1 secs Computing kpt #: 218 total cpu time spent up to now is 25.2 secs Computing kpt #: 219 total cpu time spent up to now is 25.3 secs Computing kpt #: 220 total cpu time spent up to now is 25.4 secs Computing kpt #: 221 total cpu time spent up to now is 25.6 secs Computing kpt #: 222 total cpu time spent up to now is 25.7 secs Computing kpt #: 223 total cpu time spent up to now is 25.8 secs Computing kpt #: 224 total cpu time spent up to now is 25.9 secs Computing kpt #: 225 total cpu time spent up to now is 26.0 secs Computing kpt #: 226 total cpu time spent up to now is 26.1 secs Computing kpt #: 227 total cpu time spent up to now is 26.3 secs Computing kpt #: 228 total cpu time spent up to now is 26.4 secs Computing kpt #: 229 total cpu time spent up to now is 26.5 secs Computing kpt #: 230 total cpu time spent up to now is 26.6 secs Computing kpt #: 231 total cpu time spent up to now is 26.7 secs Computing kpt #: 232 total cpu time spent up to now is 26.9 secs Computing kpt #: 233 total cpu time spent up to now is 27.0 secs Computing kpt #: 234 total cpu time spent up to now is 27.1 secs Computing kpt #: 235 total cpu time spent up to now is 27.2 secs Computing kpt #: 236 total cpu time spent up to now is 27.3 secs Computing kpt #: 237 total cpu time spent up to now is 27.4 secs Computing kpt #: 238 total cpu time spent up to now is 27.5 secs Computing kpt #: 239 total cpu time spent up to now is 27.6 secs Computing kpt #: 240 total cpu time spent up to now is 27.7 secs Computing kpt #: 241 total cpu time spent up to now is 27.8 secs Computing kpt #: 242 total cpu time spent up to now is 27.9 secs Computing kpt #: 243 total cpu time spent up to now is 28.0 secs Computing kpt #: 244 total cpu time spent up to now is 28.1 secs Computing kpt #: 245 total cpu time spent up to now is 28.2 secs Computing kpt #: 246 total cpu time spent up to now is 28.3 secs Computing kpt #: 247 total cpu time spent up to now is 28.4 secs Computing kpt #: 248 total cpu time spent up to now is 28.6 secs Computing kpt #: 249 total cpu time spent up to now is 28.7 secs Computing kpt #: 250 total cpu time spent up to now is 28.8 secs Computing kpt #: 251 total cpu time spent up to now is 28.9 secs Computing kpt #: 252 total cpu time spent up to now is 29.0 secs Computing kpt #: 253 total cpu time spent up to now is 29.1 secs Computing kpt #: 254 total cpu time spent up to now is 29.2 secs Computing kpt #: 255 total cpu time spent up to now is 29.3 secs Computing kpt #: 256 total cpu time spent up to now is 29.4 secs Computing kpt #: 257 total cpu time spent up to now is 29.5 secs Computing kpt #: 258 total cpu time spent up to now is 29.7 secs Computing kpt #: 259 total cpu time spent up to now is 29.8 secs Computing kpt #: 260 total cpu time spent up to now is 29.9 secs Computing kpt #: 261 total cpu time spent up to now is 30.0 secs Computing kpt #: 262 total cpu time spent up to now is 30.1 secs Computing kpt #: 263 total cpu time spent up to now is 30.2 secs Computing kpt #: 264 total cpu time spent up to now is 30.3 secs Computing kpt #: 265 total cpu time spent up to now is 30.5 secs Computing kpt #: 266 total cpu time spent up to now is 30.6 secs Computing kpt #: 267 total cpu time spent up to now is 30.7 secs Computing kpt #: 268 total cpu time spent up to now is 30.8 secs Computing kpt #: 269 total cpu time spent up to now is 30.9 secs Computing kpt #: 270 total cpu time spent up to now is 31.0 secs Computing kpt #: 271 total cpu time spent up to now is 31.1 secs Computing kpt #: 272 total cpu time spent up to now is 31.2 secs Computing kpt #: 273 total cpu time spent up to now is 31.3 secs Computing kpt #: 274 total cpu time spent up to now is 31.5 secs Computing kpt #: 275 total cpu time spent up to now is 31.6 secs Computing kpt #: 276 total cpu time spent up to now is 31.8 secs Computing kpt #: 277 total cpu time spent up to now is 31.9 secs Computing kpt #: 278 total cpu time spent up to now is 32.0 secs Computing kpt #: 279 total cpu time spent up to now is 32.1 secs Computing kpt #: 280 total cpu time spent up to now is 32.2 secs Computing kpt #: 281 total cpu time spent up to now is 32.3 secs Computing kpt #: 282 total cpu time spent up to now is 32.4 secs Computing kpt #: 283 total cpu time spent up to now is 32.5 secs Computing kpt #: 284 total cpu time spent up to now is 32.6 secs Computing kpt #: 285 total cpu time spent up to now is 32.7 secs Computing kpt #: 286 total cpu time spent up to now is 32.8 secs Computing kpt #: 287 total cpu time spent up to now is 32.9 secs Computing kpt #: 288 total cpu time spent up to now is 33.0 secs Computing kpt #: 289 total cpu time spent up to now is 33.1 secs Computing kpt #: 290 total cpu time spent up to now is 33.2 secs Computing kpt #: 291 total cpu time spent up to now is 33.3 secs Computing kpt #: 292 total cpu time spent up to now is 33.4 secs Computing kpt #: 293 total cpu time spent up to now is 33.5 secs Computing kpt #: 294 total cpu time spent up to now is 33.6 secs Computing kpt #: 295 total cpu time spent up to now is 33.7 secs Computing kpt #: 296 total cpu time spent up to now is 33.9 secs Computing kpt #: 297 total cpu time spent up to now is 34.0 secs Computing kpt #: 298 total cpu time spent up to now is 34.1 secs Computing kpt #: 299 total cpu time spent up to now is 34.2 secs Computing kpt #: 300 total cpu time spent up to now is 34.3 secs Computing kpt #: 301 total cpu time spent up to now is 34.4 secs Computing kpt #: 302 total cpu time spent up to now is 34.5 secs Computing kpt #: 303 total cpu time spent up to now is 34.6 secs Computing kpt #: 304 total cpu time spent up to now is 34.7 secs Computing kpt #: 305 total cpu time spent up to now is 34.8 secs Computing kpt #: 306 total cpu time spent up to now is 34.9 secs Computing kpt #: 307 total cpu time spent up to now is 35.0 secs Computing kpt #: 308 total cpu time spent up to now is 35.1 secs Computing kpt #: 309 total cpu time spent up to now is 35.2 secs Computing kpt #: 310 total cpu time spent up to now is 35.3 secs Computing kpt #: 311 total cpu time spent up to now is 35.4 secs Computing kpt #: 312 total cpu time spent up to now is 35.5 secs Computing kpt #: 313 total cpu time spent up to now is 35.6 secs Computing kpt #: 314 total cpu time spent up to now is 35.7 secs Computing kpt #: 315 total cpu time spent up to now is 35.8 secs Computing kpt #: 316 total cpu time spent up to now is 35.9 secs Computing kpt #: 317 total cpu time spent up to now is 36.0 secs Computing kpt #: 318 total cpu time spent up to now is 36.1 secs Computing kpt #: 319 total cpu time spent up to now is 36.2 secs Computing kpt #: 320 total cpu time spent up to now is 36.3 secs Computing kpt #: 321 total cpu time spent up to now is 36.5 secs Computing kpt #: 322 total cpu time spent up to now is 36.6 secs Computing kpt #: 323 total cpu time spent up to now is 36.7 secs Computing kpt #: 324 total cpu time spent up to now is 36.8 secs Computing kpt #: 325 total cpu time spent up to now is 36.9 secs Computing kpt #: 326 total cpu time spent up to now is 37.0 secs Computing kpt #: 327 total cpu time spent up to now is 37.1 secs Computing kpt #: 328 total cpu time spent up to now is 37.3 secs Computing kpt #: 329 total cpu time spent up to now is 37.4 secs Computing kpt #: 330 total cpu time spent up to now is 37.5 secs Computing kpt #: 331 total cpu time spent up to now is 37.6 secs Computing kpt #: 332 total cpu time spent up to now is 37.7 secs Computing kpt #: 333 total cpu time spent up to now is 37.8 secs Computing kpt #: 334 total cpu time spent up to now is 37.9 secs Computing kpt #: 335 total cpu time spent up to now is 38.0 secs Computing kpt #: 336 total cpu time spent up to now is 38.1 secs Computing kpt #: 337 total cpu time spent up to now is 38.3 secs Computing kpt #: 338 total cpu time spent up to now is 38.4 secs Computing kpt #: 339 total cpu time spent up to now is 38.5 secs Computing kpt #: 340 total cpu time spent up to now is 38.6 secs Computing kpt #: 341 total cpu time spent up to now is 38.7 secs Computing kpt #: 342 total cpu time spent up to now is 38.8 secs Computing kpt #: 343 total cpu time spent up to now is 38.9 secs Computing kpt #: 344 total cpu time spent up to now is 39.0 secs Computing kpt #: 345 total cpu time spent up to now is 39.1 secs Computing kpt #: 346 total cpu time spent up to now is 39.2 secs Computing kpt #: 347 total cpu time spent up to now is 39.3 secs Computing kpt #: 348 total cpu time spent up to now is 39.4 secs Computing kpt #: 349 total cpu time spent up to now is 39.5 secs Computing kpt #: 350 total cpu time spent up to now is 39.6 secs Computing kpt #: 351 total cpu time spent up to now is 39.7 secs Computing kpt #: 352 total cpu time spent up to now is 39.9 secs Computing kpt #: 353 total cpu time spent up to now is 40.0 secs Computing kpt #: 354 total cpu time spent up to now is 40.1 secs Computing kpt #: 355 total cpu time spent up to now is 40.2 secs Computing kpt #: 356 total cpu time spent up to now is 40.3 secs Computing kpt #: 357 total cpu time spent up to now is 40.4 secs Computing kpt #: 358 total cpu time spent up to now is 40.5 secs Computing kpt #: 359 total cpu time spent up to now is 40.6 secs Computing kpt #: 360 total cpu time spent up to now is 40.8 secs Computing kpt #: 361 total cpu time spent up to now is 40.9 secs Computing kpt #: 362 total cpu time spent up to now is 41.0 secs Computing kpt #: 363 total cpu time spent up to now is 41.1 secs Computing kpt #: 364 total cpu time spent up to now is 41.2 secs Computing kpt #: 365 total cpu time spent up to now is 41.3 secs Computing kpt #: 366 total cpu time spent up to now is 41.4 secs Computing kpt #: 367 total cpu time spent up to now is 41.5 secs Computing kpt #: 368 total cpu time spent up to now is 41.6 secs Computing kpt #: 369 total cpu time spent up to now is 41.7 secs Computing kpt #: 370 total cpu time spent up to now is 41.8 secs Computing kpt #: 371 total cpu time spent up to now is 41.9 secs Computing kpt #: 372 total cpu time spent up to now is 42.0 secs Computing kpt #: 373 total cpu time spent up to now is 42.1 secs Computing kpt #: 374 total cpu time spent up to now is 42.2 secs Computing kpt #: 375 total cpu time spent up to now is 42.3 secs Computing kpt #: 376 total cpu time spent up to now is 42.4 secs Computing kpt #: 377 total cpu time spent up to now is 42.5 secs Computing kpt #: 378 total cpu time spent up to now is 42.5 secs Computing kpt #: 379 total cpu time spent up to now is 42.6 secs Computing kpt #: 380 total cpu time spent up to now is 42.7 secs Computing kpt #: 381 total cpu time spent up to now is 42.8 secs Computing kpt #: 382 total cpu time spent up to now is 42.9 secs Computing kpt #: 383 total cpu time spent up to now is 43.0 secs Computing kpt #: 384 total cpu time spent up to now is 43.0 secs Computing kpt #: 385 total cpu time spent up to now is 43.1 secs Computing kpt #: 386 total cpu time spent up to now is 43.2 secs ethr = 6.25E-08, avg # of iterations = 15.0 total cpu time spent up to now is 43.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -3.6746 -3.6746 4.5451 4.5451 10.0048 10.0048 10.0048 10.0048 10.0132 10.0132 12.0207 12.0207 12.0208 12.0208 12.0208 12.0208 12.9896 12.9896 15.0930 15.0930 15.0930 15.0930 17.8982 17.8982 k = 0.0086-0.0050 0.0070 ( 1363 PWs) bands (ev): -3.6734 -3.6734 4.5429 4.5429 9.9971 9.9971 9.9982 9.9982 10.0061 10.0061 12.0210 12.0210 12.0297 12.0297 12.0298 12.0298 12.9981 12.9981 15.0817 15.0817 15.0942 15.0942 17.9107 17.9108 k = 0.0172-0.0100 0.0141 ( 1363 PWs) bands (ev): -3.6697 -3.6697 4.5366 4.5366 9.9743 9.9743 9.9775 9.9775 9.9863 9.9863 12.0217 12.0217 12.0561 12.0561 12.0563 12.0563 13.0232 13.0232 15.0485 15.0485 15.0977 15.0977 17.9067 17.9070 k = 0.0259-0.0149 0.0211 ( 1363 PWs) bands (ev): -3.6636 -3.6636 4.5261 4.5261 9.9377 9.9377 9.9420 9.9420 9.9562 9.9562 12.0226 12.0226 12.0988 12.0988 12.0992 12.0992 13.0645 13.0645 14.9957 14.9957 15.1035 15.1035 17.9174 17.9176 k = 0.0345-0.0199 0.0282 ( 1359 PWs) bands (ev): -3.6551 -3.6551 4.5115 4.5115 9.8888 9.8888 9.8934 9.8934 9.9166 9.9166 12.0233 12.0233 12.1562 12.1562 12.1567 12.1567 13.1210 13.1210 14.9262 14.9262 15.1116 15.1116 17.9321 17.9322 k = 0.0431-0.0249 0.0352 ( 1351 PWs) bands (ev): -3.6442 -3.6442 4.4927 4.4927 9.8297 9.8297 9.8343 9.8343 9.8683 9.8683 12.0233 12.0233 12.2262 12.2262 12.2268 12.2268 13.1915 13.1915 14.8438 14.8438 15.1221 15.1221 17.9511 17.9514 k = 0.0517-0.0299 0.0422 ( 1351 PWs) bands (ev): -3.6309 -3.6309 4.4699 4.4699 9.7621 9.7621 9.7666 9.7666 9.8121 9.8121 12.0219 12.0219 12.3069 12.3069 12.3078 12.3078 13.2749 13.2749 14.7522 14.7522 15.1349 15.1349 17.9745 17.9747 k = 0.0603-0.0348 0.0493 ( 1343 PWs) bands (ev): -3.6151 -3.6151 4.4431 4.4431 9.6878 9.6878 9.6922 9.6922 9.7493 9.7493 12.0180 12.0180 12.3966 12.3966 12.3976 12.3976 13.3699 13.3699 14.6550 14.6550 15.1500 15.1500 18.0023 18.0025 k = 0.0690-0.0398 0.0563 ( 1343 PWs) bands (ev): -3.5969 -3.5969 4.4125 4.4125 9.6083 9.6083 9.6126 9.6126 9.6811 9.6811 12.0107 12.0107 12.4936 12.4936 12.4948 12.4948 13.4753 13.4753 14.5558 14.5558 15.1675 15.1675 18.0344 18.0347 k = 0.0776-0.0448 0.0633 ( 1343 PWs) bands (ev): -3.5764 -3.5764 4.3780 4.3780 9.5250 9.5250 9.5291 9.5291 9.6085 9.6085 11.9986 11.9986 12.5967 12.5967 12.5981 12.5981 13.5900 13.5900 14.4578 14.4578 15.1872 15.1872 18.0710 18.0713 k = 0.0862-0.0498 0.0704 ( 1331 PWs) bands (ev): -3.5534 -3.5534 4.3399 4.3399 9.4387 9.4387 9.4427 9.4427 9.5324 9.5324 11.9802 11.9802 12.7046 12.7046 12.7062 12.7062 13.7131 13.7131 14.3641 14.3641 15.2094 15.2094 18.1120 18.1124 k = 0.0948-0.0547 0.0774 ( 1331 PWs) bands (ev): -3.5280 -3.5280 4.2981 4.2981 9.3504 9.3504 9.3542 9.3542 9.4538 9.4538 11.9540 11.9540 12.8164 12.8164 12.8182 12.8182 13.8437 13.8437 14.2776 14.2776 15.2338 15.2338 18.1576 18.1580 k = 0.1034-0.0597 0.0845 ( 1331 PWs) bands (ev): -3.5002 -3.5002 4.2529 4.2529 9.2608 9.2608 9.2645 9.2645 9.3733 9.3733 11.9186 11.9186 12.9314 12.9314 12.9333 12.9333 13.9809 13.9809 14.2008 14.2008 15.2606 15.2606 18.2080 18.2083 k = 0.1121-0.0647 0.0915 ( 1331 PWs) bands (ev): -3.4701 -3.4701 4.2043 4.2043 9.1705 9.1705 9.1741 9.1741 9.2916 9.2916 11.8726 11.8726 13.0488 13.0488 13.0508 13.0508 14.1242 14.1242 14.1359 14.1359 15.2896 15.2896 18.2630 18.2633 k = 0.1207-0.0697 0.0985 ( 1323 PWs) bands (ev): -3.4376 -3.4376 4.1524 4.1524 9.0799 9.0799 9.0833 9.0833 9.2092 9.2092 11.8152 11.8152 13.1680 13.1680 13.1701 13.1701 14.0845 14.0845 14.2730 14.2730 15.3211 15.3211 18.3229 18.3232 k = 0.1293-0.0747 0.1056 ( 1323 PWs) bands (ev): -3.4027 -3.4027 4.0974 4.0974 8.9895 8.9895 8.9927 8.9927 9.1266 9.1266 11.7458 11.7458 13.2885 13.2885 13.2907 13.2907 14.0476 14.0476 14.4267 14.4267 15.3548 15.3548 18.3878 18.3881 k = 0.1379-0.0796 0.1126 ( 1327 PWs) bands (ev): -3.3655 -3.3655 4.0393 4.0393 8.8994 8.8994 8.9026 8.9026 9.0442 9.0442 11.6647 11.6647 13.4098 13.4098 13.4121 13.4121 14.0256 14.0256 14.5850 14.5850 15.3909 15.3909 18.4576 18.4578 k = 0.1466-0.0846 0.1197 ( 1327 PWs) bands (ev): -3.3260 -3.3260 3.9783 3.9783 8.8101 8.8101 8.8131 8.8131 8.9623 8.9623 11.5725 11.5725 13.5316 13.5316 13.5340 13.5340 14.0181 14.0181 14.7475 14.7475 15.4293 15.4293 18.5324 18.5325 k = 0.1552-0.0896 0.1267 ( 1327 PWs) bands (ev): -3.2841 -3.2841 3.9145 3.9145 8.7217 8.7217 8.7246 8.7246 8.8812 8.8812 11.4704 11.4704 13.6534 13.6534 13.6559 13.6559 14.0245 14.0245 14.9138 14.9138 15.4700 15.4700 18.6125 18.6127 k = 0.1638-0.0946 0.1337 ( 1327 PWs) bands (ev): -3.2400 -3.2400 3.8480 3.8480 8.6344 8.6344 8.6372 8.6372 8.8011 8.8011 11.3596 11.3596 13.7750 13.7750 13.7775 13.7775 14.0436 14.0436 15.0836 15.0836 15.5130 15.5130 18.6978 18.6980 k = 0.1724-0.0995 0.1408 ( 1327 PWs) bands (ev): -3.1935 -3.1935 3.7788 3.7788 8.5484 8.5484 8.5511 8.5511 8.7223 8.7223 11.2415 11.2415 13.8959 13.8959 13.8986 13.8986 14.0743 14.0743 15.2565 15.2565 15.5584 15.5584 18.7885 18.7887 k = 0.1810-0.1045 0.1478 ( 1335 PWs) bands (ev): -3.1448 -3.1448 3.7072 3.7072 8.4638 8.4638 8.4664 8.4664 8.6450 8.6450 11.1176 11.1176 14.0159 14.0159 14.0187 14.0187 14.1154 14.1154 15.4324 15.4324 15.6062 15.6062 18.8845 18.8846 k = 0.1897-0.1095 0.1549 ( 1327 PWs) bands (ev): -3.0937 -3.0937 3.6331 3.6331 8.3807 8.3807 8.3832 8.3832 8.5693 8.5693 10.9893 10.9893 14.1345 14.1345 14.1377 14.1377 14.1659 14.1659 15.6102 15.6102 15.6570 15.6570 18.9861 18.9862 k = 0.1983-0.1145 0.1619 ( 1327 PWs) bands (ev): -3.0405 -3.0405 3.5567 3.5567 8.2993 8.2993 8.3017 8.3017 8.4954 8.4954 10.8576 10.8576 14.2233 14.2233 14.2530 14.2530 14.2552 14.2552 15.7076 15.7076 15.7931 15.7931 19.0933 19.0934 k = 0.2069-0.1195 0.1689 ( 1327 PWs) bands (ev): -2.9850 -2.9850 3.4781 3.4781 8.2196 8.2196 8.2219 8.2219 8.4234 8.4234 10.7237 10.7237 14.2891 14.2891 14.3686 14.3686 14.3712 14.3712 15.7626 15.7626 15.9761 15.9761 19.2059 19.2061 k = 0.2155-0.1244 0.1760 ( 1335 PWs) bands (ev): -2.9274 -2.9274 3.3973 3.3973 8.1417 8.1417 8.1439 8.1439 8.3533 8.3533 10.5884 10.5884 14.3611 14.3611 14.4827 14.4827 14.4853 14.4853 15.8196 15.8196 16.1613 16.1613 19.3243 19.3244 k = 0.2241-0.1294 0.1830 ( 1335 PWs) bands (ev): -2.8675 -2.8675 3.3144 3.3144 8.0656 8.0656 8.0678 8.0678 8.2854 8.2854 10.4526 10.4526 14.4387 14.4387 14.5947 14.5947 14.5973 14.5973 15.8789 15.8789 16.3481 16.3481 19.4483 19.4483 k = 0.2328-0.1344 0.1900 ( 1331 PWs) bands (ev): -2.8055 -2.8055 3.2295 3.2295 7.9916 7.9916 7.9936 7.9936 8.2197 8.2197 10.3170 10.3170 14.5215 14.5215 14.7046 14.7046 14.7072 14.7072 15.9405 15.9405 16.5364 16.5364 19.5779 19.5779 k = 0.2414-0.1394 0.1971 ( 1331 PWs) bands (ev): -2.7413 -2.7413 3.1427 3.1427 7.9195 7.9195 7.9215 7.9215 8.1562 8.1562 10.1820 10.1820 14.6089 14.6089 14.8120 14.8120 14.8146 14.8146 16.0044 16.0044 16.7257 16.7257 19.7132 19.7132 k = 0.2500-0.1443 0.2041 ( 1331 PWs) bands (ev): -2.6750 -2.6750 3.0540 3.0540 7.8494 7.8494 7.8513 7.8513 8.0952 8.0952 10.0482 10.0482 14.7005 14.7005 14.9170 14.9170 14.9196 14.9196 16.0706 16.0706 16.9158 16.9158 19.8541 19.8541 k = 0.2586-0.1493 0.2112 ( 1331 PWs) bands (ev): -2.6067 -2.6067 2.9635 2.9635 7.7815 7.7815 7.7833 7.7833 8.0365 8.0365 9.9161 9.9161 14.7959 14.7959 15.0194 15.0194 15.0219 15.0219 16.1391 16.1391 17.1060 17.1060 20.0005 20.0006 k = 0.2672-0.1543 0.2182 ( 1331 PWs) bands (ev): -2.5363 -2.5363 2.8713 2.8713 7.7156 7.7156 7.7174 7.7174 7.9803 7.9803 9.7859 9.7859 14.8948 14.8948 15.1190 15.1190 15.1215 15.1215 16.2099 16.2099 17.2961 17.2961 20.1525 20.1525 k = 0.2759-0.1593 0.2252 ( 1331 PWs) bands (ev): -2.4638 -2.4638 2.7775 2.7775 7.6520 7.6520 7.6537 7.6537 7.9267 7.9267 9.6581 9.6581 14.9970 14.9970 15.2158 15.2158 15.2182 15.2182 16.2831 16.2831 17.4854 17.4854 20.3099 20.3101 k = 0.2845-0.1642 0.2323 ( 1323 PWs) bands (ev): -2.3893 -2.3893 2.6820 2.6820 7.5905 7.5905 7.5921 7.5921 7.8757 7.8757 9.5328 9.5328 15.1021 15.1021 15.3097 15.3097 15.3120 15.3120 16.3585 16.3585 17.6733 17.6733 20.4726 20.4726 k = 0.2931-0.1692 0.2393 ( 1323 PWs) bands (ev): -2.3129 -2.3129 2.5851 2.5851 7.5313 7.5313 7.5328 7.5328 7.8273 7.8273 9.4104 9.4104 15.2101 15.2101 15.4005 15.4005 15.4028 15.4028 16.4362 16.4362 17.8590 17.8590 20.6406 20.6408 k = 0.3017-0.1742 0.2464 ( 1327 PWs) bands (ev): -2.2346 -2.2346 2.4866 2.4866 7.4743 7.4743 7.4758 7.4758 7.7816 7.7816 9.2910 9.2910 15.3206 15.3206 15.4883 15.4883 15.4905 15.4905 16.5162 16.5162 18.0415 18.0415 20.8137 20.8141 k = 0.3103-0.1792 0.2534 ( 1327 PWs) bands (ev): -2.1543 -2.1543 2.3868 2.3868 7.4196 7.4196 7.4210 7.4210 7.7387 7.7387 9.1747 9.1747 15.4335 15.4335 15.5729 15.5729 15.5750 15.5750 16.5985 16.5985 18.2196 18.2196 20.9919 20.9922 k = 0.3190-0.1842 0.2604 ( 1327 PWs) bands (ev): -2.0722 -2.0722 2.2857 2.2857 7.3672 7.3672 7.3686 7.3686 7.6986 7.6986 9.0619 9.0619 15.5487 15.5487 15.6543 15.6543 15.6564 15.6564 16.6831 16.6831 18.3920 18.3920 21.1745 21.1751 k = 0.3276-0.1891 0.2675 ( 1331 PWs) bands (ev): -1.9882 -1.9882 2.1833 2.1833 7.3171 7.3171 7.3184 7.3184 7.6613 7.6613 8.9525 8.9525 15.6661 15.6661 15.7325 15.7325 15.7344 15.7344 16.7700 16.7700 18.5569 18.5569 21.3620 21.3622 k = 0.3362-0.1941 0.2745 ( 1331 PWs) bands (ev): -1.9025 -1.9025 2.0797 2.0797 7.2694 7.2694 7.2706 7.2706 7.6269 7.6269 8.8467 8.8467 15.7851 15.7851 15.8078 15.8078 15.8092 15.8092 16.8592 16.8592 18.7123 18.7123 21.5540 21.5546 k = 0.3448-0.1991 0.2816 ( 1331 PWs) bands (ev): -1.8150 -1.8150 1.9751 1.9751 7.2240 7.2240 7.2252 7.2252 7.5955 7.5955 8.7447 8.7447 15.8782 15.8782 15.8806 15.8806 15.9075 15.9075 16.9507 16.9507 18.8558 18.8558 21.6909 21.6909 k = 0.3534-0.2041 0.2886 ( 1327 PWs) bands (ev): -1.7258 -1.7258 1.8694 1.8694 7.1810 7.1810 7.1821 7.1821 7.5670 7.5670 8.6464 8.6464 15.9466 15.9466 15.9485 15.9485 16.0305 16.0305 17.0444 17.0444 18.9849 18.9849 21.5249 21.5249 k = 0.3621-0.2090 0.2956 ( 1327 PWs) bands (ev): -1.6350 -1.6350 1.7628 1.7628 7.1404 7.1404 7.1414 7.1414 7.5415 7.5415 8.5519 8.5519 16.0112 16.0112 16.0131 16.0131 16.1553 16.1553 17.1404 17.1404 19.0966 19.0966 21.3603 21.3603 k = 0.3707-0.2140 0.3027 ( 1323 PWs) bands (ev): -1.5425 -1.5425 1.6553 1.6553 7.1022 7.1022 7.1032 7.1032 7.5191 7.5191 8.4613 8.4613 16.0723 16.0723 16.0740 16.0740 16.2817 16.2817 17.2387 17.2387 19.1880 19.1880 21.1973 21.1973 k = 0.3793-0.2190 0.3097 ( 1323 PWs) bands (ev): -1.4485 -1.4485 1.5470 1.5470 7.0665 7.0665 7.0673 7.0673 7.4997 7.4997 8.3746 8.3746 16.1299 16.1299 16.1314 16.1314 16.4097 16.4097 17.3392 17.3392 19.2566 19.2566 21.0361 21.0361 k = 0.3879-0.2240 0.3167 ( 1327 PWs) bands (ev): -1.3530 -1.3530 1.4380 1.4380 7.0331 7.0331 7.0339 7.0339 7.4835 7.4835 8.2919 8.2919 16.1837 16.1837 16.1852 16.1852 16.5391 16.5391 17.4420 17.4420 19.3009 19.3009 20.8767 20.8767 k = 0.3966-0.2289 0.3238 ( 1327 PWs) bands (ev): -1.2560 -1.2560 1.3284 1.3284 7.0022 7.0022 7.0029 7.0029 7.4704 7.4704 8.2132 8.2132 16.2339 16.2339 16.2353 16.2353 16.6697 16.6697 17.5470 17.5470 19.3201 19.3201 20.7191 20.7191 k = 0.4052-0.2339 0.3308 ( 1331 PWs) bands (ev): -1.1576 -1.1576 1.2183 1.2183 6.9737 6.9737 6.9744 6.9744 7.4606 7.4606 8.1385 8.1385 16.2804 16.2804 16.2817 16.2817 16.8016 16.8016 17.6543 17.6543 19.3148 19.3148 20.5634 20.5634 k = 0.4138-0.2389 0.3379 ( 1331 PWs) bands (ev): -1.0579 -1.0579 1.1078 1.1078 6.9477 6.9477 6.9483 6.9483 7.4540 7.4540 8.0677 8.0677 16.3231 16.3231 16.3242 16.3242 16.9345 16.9345 17.7638 17.7638 19.2866 19.2866 20.4095 20.4095 k = 0.4224-0.2439 0.3449 ( 1338 PWs) bands (ev): -0.9569 -0.9569 0.9969 0.9969 6.9241 6.9241 6.9246 6.9246 7.4507 7.4507 8.0009 8.0009 16.3619 16.3619 16.3629 16.3629 17.0684 17.0684 17.8756 17.8756 19.2379 19.2379 20.2576 20.2576 k = 0.4310-0.2489 0.3519 ( 1338 PWs) bands (ev): -0.8547 -0.8547 0.8858 0.8858 6.9030 6.9030 6.9035 6.9035 7.4508 7.4508 7.9381 7.9381 16.3968 16.3968 16.3977 16.3977 17.2030 17.2030 17.9896 17.9896 19.1714 19.1714 20.1076 20.1076 k = 0.4397-0.2538 0.3590 ( 1338 PWs) bands (ev): -0.7514 -0.7514 0.7745 0.7745 6.8844 6.8844 6.8848 6.8848 7.4542 7.4542 7.8793 7.8793 16.4277 16.4277 16.4285 16.4285 17.3383 17.3383 18.1058 18.1058 19.0900 19.0900 19.9596 19.9596 k = 0.4483-0.2588 0.3660 ( 1338 PWs) bands (ev): -0.6469 -0.6469 0.6631 0.6631 6.8682 6.8682 6.8686 6.8686 7.4610 7.4610 7.8244 7.8244 16.4546 16.4546 16.4553 16.4553 17.4740 17.4740 18.2242 18.2242 18.9963 18.9963 19.8136 19.8136 k = 0.4569-0.2638 0.3731 ( 1338 PWs) bands (ev): -0.5415 -0.5415 0.5517 0.5517 6.8545 6.8545 6.8548 6.8548 7.4713 7.4713 7.7734 7.7734 16.4775 16.4775 16.4781 16.4781 17.6100 17.6100 18.3447 18.3447 18.8926 18.8926 19.6696 19.6696 k = 0.4655-0.2688 0.3801 ( 1338 PWs) bands (ev): -0.4351 -0.4351 0.4405 0.4405 6.8434 6.8434 6.8436 6.8436 7.4851 7.4851 7.7263 7.7263 16.4963 16.4963 16.4968 16.4968 17.7459 17.7459 18.4675 18.4675 18.7810 18.7810 19.5277 19.5277 k = 0.4741-0.2737 0.3871 ( 1330 PWs) bands (ev): -0.3278 -0.3278 0.3294 0.3294 6.8347 6.8347 6.8348 6.8348 7.5024 7.5024 7.6831 7.6831 16.5110 16.5110 16.5113 16.5113 17.8815 17.8815 18.5917 18.5917 18.6636 18.6636 19.3878 19.3878 k = 0.4828-0.2787 0.3942 ( 1330 PWs) bands (ev): -0.2198 -0.2198 0.2187 0.2187 6.8285 6.8285 6.8286 6.8286 7.5233 7.5233 7.6436 7.6436 16.5215 16.5215 16.5217 16.5217 18.0164 18.0164 18.5391 18.5391 18.7202 18.7202 19.2500 19.2500 k = 0.4914-0.2837 0.4012 ( 1338 PWs) bands (ev): -0.1110 -0.1110 0.1083 0.1083 6.8247 6.8247 6.8248 6.8248 7.5479 7.5479 7.6080 7.6080 16.5278 16.5278 16.5279 16.5279 18.1502 18.1502 18.4123 18.4123 18.8493 18.8493 19.1143 19.1143 k = 0.5000-0.2887 0.4082 ( 1338 PWs) bands (ev): -0.0017 -0.0017 -0.0016 -0.0016 6.8235 6.8235 6.8235 6.8235 7.5761 7.5761 7.5761 7.5761 16.5300 16.5300 16.5300 16.5300 18.2824 18.2824 18.2824 18.2824 18.9807 18.9807 18.9807 18.9807 k = 0.5000-0.2887 0.4082 ( 1338 PWs) bands (ev): -0.0017 -0.0017 -0.0016 -0.0016 6.8235 6.8235 6.8235 6.8235 7.5761 7.5761 7.5761 7.5761 16.5300 16.5300 16.5300 16.5300 18.2824 18.2824 18.2824 18.2824 18.9807 18.9807 18.9807 18.9807 k = 0.5000-0.2787 0.4153 ( 1338 PWs) bands (ev): -0.0015 -0.0015 -0.0013 -0.0013 6.8060 6.8060 6.8081 6.8081 7.5944 7.5944 7.5960 7.5960 16.5154 16.5154 16.5169 16.5169 18.2903 18.2903 18.2914 18.2914 18.9830 18.9830 18.9857 18.9857 k = 0.5000-0.2688 0.4223 ( 1328 PWs) bands (ev): -0.0009 -0.0009 -0.0004 -0.0004 6.7600 6.7600 6.7638 6.7638 7.6470 7.6470 7.6497 7.6497 16.4742 16.4742 16.4771 16.4771 18.3140 18.3140 18.3163 18.3163 18.9926 18.9926 18.9980 18.9980 k = 0.5000-0.2588 0.4294 ( 1328 PWs) bands (ev): 0.0002 0.0002 0.0010 0.0010 6.6947 6.6947 6.6997 6.6997 7.7248 7.7248 7.7281 7.7281 16.4092 16.4092 16.4133 16.4133 18.3502 18.3502 18.3537 18.3537 19.0103 19.0103 19.0183 19.0183 k = 0.5000-0.2489 0.4364 ( 1328 PWs) bands (ev): 0.0018 0.0018 0.0028 0.0028 6.6180 6.6180 6.6238 6.6238 7.8195 7.8195 7.8232 7.8232 16.3238 16.3238 16.3292 16.3292 18.3944 18.3944 18.3991 18.3991 19.0370 19.0370 19.0474 19.0474 k = 0.5000-0.2389 0.4434 ( 1324 PWs) bands (ev): 0.0038 0.0038 0.0051 0.0051 6.5354 6.5354 6.5419 6.5419 7.9257 7.9257 7.9294 7.9294 16.2220 16.2220 16.2284 16.2284 18.4420 18.4420 18.4477 18.4477 19.0737 19.0737 19.0862 19.0862 k = 0.5000-0.2289 0.4505 ( 1324 PWs) bands (ev): 0.0063 0.0063 0.0078 0.0078 6.4502 6.4502 6.4572 6.4572 8.0399 8.0399 8.0435 8.0435 16.1069 16.1069 16.1143 16.1143 18.4891 18.4891 18.4953 18.4953 19.1213 19.1213 19.1354 19.1354 k = 0.5000-0.2190 0.4575 ( 1328 PWs) bands (ev): 0.0092 0.0092 0.0110 0.0110 6.3644 6.3644 6.3718 6.3718 8.1599 8.1599 8.1634 8.1634 15.9814 15.9814 15.9897 15.9897 18.5328 18.5328 18.5392 18.5392 19.1800 19.1800 19.1950 19.1950 k = 0.5000-0.2090 0.4646 ( 1328 PWs) bands (ev): 0.0125 0.0125 0.0145 0.0145 6.2794 6.2794 6.2871 6.2871 8.2844 8.2844 8.2876 8.2876 15.8477 15.8477 15.8568 15.8568 18.5718 18.5718 18.5777 18.5777 19.2490 19.2490 19.2644 19.2644 k = 0.5000-0.1991 0.4716 ( 1328 PWs) bands (ev): 0.0161 0.0161 0.0183 0.0183 6.1960 6.1960 6.2040 6.2040 8.4124 8.4124 8.4153 8.4153 15.7076 15.7076 15.7175 15.7175 18.6056 18.6056 18.6107 18.6107 19.3269 19.3269 19.3422 19.3422 k = 0.5000-0.1891 0.4786 ( 1328 PWs) bands (ev): 0.0200 0.0200 0.0225 0.0225 6.1148 6.1148 6.1231 6.1231 8.5432 8.5432 8.5458 8.5458 15.5626 15.5626 15.5732 15.5732 18.6347 18.6347 18.6387 18.6387 19.4117 19.4117 19.4264 19.4264 k = 0.5000-0.1792 0.4857 ( 1328 PWs) bands (ev): 0.0242 0.0242 0.0269 0.0269 6.0362 6.0362 6.0448 6.0448 8.6762 8.6762 8.6784 8.6784 15.4139 15.4139 15.4252 15.4252 18.6598 18.6598 18.6625 18.6625 19.5015 19.5015 19.5154 19.5154 k = 0.5000-0.1692 0.4927 ( 1328 PWs) bands (ev): 0.0286 0.0286 0.0315 0.0315 5.9606 5.9606 5.9695 5.9695 8.8110 8.8110 8.8128 8.8128 15.2624 15.2624 15.2744 15.2744 18.6817 18.6817 18.6830 18.6830 19.5946 19.5946 19.6075 19.6075 k = 0.5000-0.1593 0.4998 ( 1326 PWs) bands (ev): 0.0332 0.0332 0.0363 0.0363 5.8883 5.8883 5.8974 5.8974 8.9470 8.9470 8.9484 8.9484 15.1090 15.1090 15.1217 15.1217 18.7009 18.7009 18.7010 18.7010 19.6893 19.6893 19.7011 19.7011 k = 0.5000-0.1493 0.5068 ( 1318 PWs) bands (ev): 0.0379 0.0379 0.0412 0.0412 5.8195 5.8195 5.8287 5.8287 9.0839 9.0839 9.0848 9.0848 14.9547 14.9547 14.9680 14.9680 18.7168 18.7168 18.7182 18.7182 19.7845 19.7845 19.7953 19.7953 k = 0.5000-0.1394 0.5138 ( 1318 PWs) bands (ev): 0.0426 0.0426 0.0461 0.0461 5.7543 5.7543 5.7638 5.7638 9.2211 9.2211 9.2215 9.2215 14.8001 14.8001 14.8141 14.8141 18.7312 18.7312 18.7338 18.7338 19.8791 19.8791 19.8888 19.8888 k = 0.5000-0.1294 0.5209 ( 1320 PWs) bands (ev): 0.0473 0.0473 0.0510 0.0510 5.6929 5.6929 5.7026 5.7026 9.3580 9.3580 9.3582 9.3582 14.6460 14.6460 14.6607 14.6607 18.7442 18.7442 18.7481 18.7481 19.9723 19.9723 19.9808 19.9808 k = 0.5000-0.1195 0.5279 ( 1320 PWs) bands (ev): 0.0520 0.0520 0.0559 0.0559 5.6356 5.6356 5.6454 5.6454 9.4937 9.4937 9.4946 9.4946 14.4932 14.4932 14.5087 14.5087 18.7561 18.7561 18.7611 18.7611 20.0632 20.0632 20.0706 20.0706 k = 0.5000-0.1095 0.5349 ( 1320 PWs) bands (ev): 0.0566 0.0566 0.0606 0.0606 5.5823 5.5823 5.5923 5.5923 9.6279 9.6279 9.6294 9.6294 14.3427 14.3427 14.3589 14.3589 18.7670 18.7670 18.7731 18.7731 20.1513 20.1513 20.1575 20.1575 k = 0.5000-0.0995 0.5420 ( 1324 PWs) bands (ev): 0.0610 0.0610 0.0651 0.0651 5.5333 5.5333 5.5435 5.5435 9.7598 9.7598 9.7620 9.7620 14.1953 14.1953 14.2124 14.2124 18.7770 18.7770 18.7840 18.7840 20.2357 20.2357 20.2408 20.2408 k = 0.5000-0.0896 0.5490 ( 1328 PWs) bands (ev): 0.0651 0.0651 0.0695 0.0695 5.4886 5.4886 5.4989 5.4989 9.8883 9.8883 9.8913 9.8913 14.0523 14.0523 14.0702 14.0702 18.7861 18.7861 18.7940 18.7940 20.3158 20.3158 20.3198 20.3198 k = 0.5000-0.0796 0.5561 ( 1328 PWs) bands (ev): 0.0690 0.0690 0.0735 0.0735 5.4484 5.4484 5.4588 5.4588 10.0122 10.0122 10.0161 10.0161 13.9149 13.9149 13.9338 13.9338 18.7944 18.7944 18.8031 18.8031 20.3908 20.3908 20.3938 20.3938 k = 0.5000-0.0697 0.5631 ( 1328 PWs) bands (ev): 0.0726 0.0726 0.0772 0.0772 5.4126 5.4126 5.4232 5.4232 10.1301 10.1301 10.1349 10.1349 13.7848 13.7848 13.8047 13.8047 18.8017 18.8017 18.8111 18.8111 20.4601 20.4601 20.4620 20.4620 k = 0.5000-0.0597 0.5701 ( 1334 PWs) bands (ev): 0.0758 0.0758 0.0805 0.0805 5.3815 5.3815 5.3922 5.3922 10.2402 10.2402 10.2459 10.2459 13.6638 13.6638 13.6847 13.6847 18.8082 18.8082 18.8182 18.8182 20.5227 20.5227 20.5236 20.5236 k = 0.5000-0.0498 0.5772 ( 1336 PWs) bands (ev): 0.0785 0.0785 0.0833 0.0833 5.3550 5.3550 5.3658 5.3658 10.3402 10.3402 10.3470 10.3470 13.5543 13.5543 13.5762 13.5762 18.8138 18.8138 18.8243 18.8243 20.5778 20.5778 20.5778 20.5778 k = 0.5000-0.0398 0.5842 ( 1336 PWs) bands (ev): 0.0809 0.0809 0.0857 0.0857 5.3333 5.3333 5.3441 5.3441 10.4277 10.4277 10.4354 10.4354 13.4587 13.4587 13.4816 13.4816 18.8183 18.8183 18.8293 18.8293 20.6237 20.6237 20.6246 20.6246 k = 0.5000-0.0299 0.5913 ( 1336 PWs) bands (ev): 0.0827 0.0827 0.0876 0.0876 5.3164 5.3164 5.3273 5.3273 10.5000 10.5000 10.5086 10.5086 13.3800 13.3800 13.4038 13.4038 18.8219 18.8219 18.8333 18.8333 20.6604 20.6604 20.6621 20.6621 k = 0.5000-0.0199 0.5983 ( 1336 PWs) bands (ev): 0.0840 0.0840 0.0890 0.0890 5.3042 5.3042 5.3152 5.3152 10.5542 10.5542 10.5636 10.5636 13.3211 13.3211 13.3457 13.3457 18.8245 18.8245 18.8361 18.8361 20.6874 20.6874 20.6895 20.6895 k = 0.5000-0.0100 0.6053 ( 1336 PWs) bands (ev): 0.0848 0.0848 0.0898 0.0898 5.2969 5.2969 5.3079 5.3079 10.5879 10.5879 10.5977 10.5977 13.2845 13.2845 13.3096 13.3096 18.8261 18.8261 18.8378 18.8378 20.7038 20.7038 20.7062 20.7062 k = 0.5000 0.0000 0.6124 ( 1348 PWs) bands (ev): 0.0851 0.0851 0.0901 0.0901 5.2945 5.2945 5.3055 5.3055 10.5993 10.5993 10.6094 10.6094 13.2721 13.2721 13.2973 13.2973 18.8266 18.8266 18.8384 18.8384 20.7093 20.7093 20.7119 20.7119 k = 0.5000 0.0000 0.6124 ( 1348 PWs) bands (ev): 0.0851 0.0851 0.0901 0.0901 5.2945 5.2945 5.3055 5.3055 10.5993 10.5993 10.6094 10.6094 13.2721 13.2721 13.2973 13.2973 18.8266 18.8266 18.8384 18.8384 20.7093 20.7093 20.7119 20.7119 k = 0.4940 0.0103 0.6124 ( 1336 PWs) bands (ev): 0.0422 0.0422 0.1325 0.1325 5.2535 5.2535 5.3510 5.3510 10.5472 10.5472 10.6503 10.6503 13.2657 13.2657 13.3160 13.3160 18.7673 18.7673 18.8906 18.8906 20.6910 20.6910 20.7288 20.7288 k = 0.4881 0.0206 0.6124 ( 1336 PWs) bands (ev): -0.0010 -0.0010 0.1744 0.1744 5.2095 5.2095 5.4084 5.4084 10.4720 10.4720 10.6921 10.6921 13.2688 13.2688 13.3488 13.3488 18.7004 18.7004 18.9346 18.9346 20.6701 20.6701 20.7481 20.7481 k = 0.4821 0.0309 0.6124 ( 1334 PWs) bands (ev): -0.0422 -0.0422 0.2133 0.2133 5.1676 5.1676 5.4726 5.4726 10.3799 10.3799 10.7303 10.7303 13.2872 13.2872 13.3887 13.3887 18.6315 18.6315 18.9621 18.9621 20.6521 20.6521 20.7682 20.7682 k = 0.4762 0.0412 0.6124 ( 1334 PWs) bands (ev): -0.0812 -0.0812 0.2493 0.2493 5.1278 5.1278 5.5435 5.5435 10.2729 10.2729 10.7647 10.7647 13.3195 13.3195 13.4347 13.4347 18.5608 18.5608 18.9710 18.9710 20.6409 20.6409 20.7888 20.7888 k = 0.4702 0.0515 0.6124 ( 1334 PWs) bands (ev): -0.1182 -0.1182 0.2825 0.2825 5.0902 5.0902 5.6209 5.6209 10.1530 10.1530 10.7954 10.7954 13.3638 13.3638 13.4863 13.4863 18.4885 18.4885 18.9598 18.9598 20.6400 20.6400 20.8095 20.8095 k = 0.4643 0.0619 0.6124 ( 1336 PWs) bands (ev): -0.1530 -0.1530 0.3128 0.3128 5.0547 5.0547 5.7047 5.7047 10.0224 10.0224 10.8225 10.8225 13.4178 13.4178 13.5429 13.5429 18.4149 18.4149 18.9286 18.9286 20.6510 20.6510 20.8301 20.8301 k = 0.4583 0.0722 0.6124 ( 1334 PWs) bands (ev): -0.1856 -0.1856 0.3404 0.3404 5.0215 5.0215 5.7947 5.7947 9.8831 9.8831 10.8463 10.8463 13.4795 13.4795 13.6039 13.6039 18.3405 18.3405 18.8790 18.8790 20.6741 20.6741 20.8502 20.8502 k = 0.4524 0.0825 0.6124 ( 1338 PWs) bands (ev): -0.2160 -0.2160 0.3654 0.3654 4.9905 4.9905 5.8906 5.8906 9.7369 9.7369 10.8668 10.8668 13.5469 13.5469 13.6684 13.6684 18.2655 18.2655 18.8138 18.8138 20.7081 20.7081 20.8695 20.8695 k = 0.4464 0.0928 0.6124 ( 1338 PWs) bands (ev): -0.2443 -0.2443 0.3880 0.3880 4.9618 4.9618 5.9921 5.9921 9.5853 9.5853 10.8845 10.8845 13.6182 13.6182 13.7357 13.7357 18.1907 18.1907 18.7364 18.7364 20.7507 20.7507 20.8876 20.8876 k = 0.4405 0.1031 0.6124 ( 1330 PWs) bands (ev): -0.2703 -0.2703 0.4081 0.4081 4.9353 4.9353 6.0991 6.0991 9.4297 9.4297 10.8995 10.8995 13.6916 13.6916 13.8048 13.8048 18.1166 18.1166 18.6505 18.6505 20.7996 20.7996 20.9045 20.9045 k = 0.4345 0.1134 0.6124 ( 1330 PWs) bands (ev): -0.2941 -0.2941 0.4260 0.4260 4.9111 4.9111 6.2112 6.2112 9.2713 9.2713 10.9121 10.9121 13.7656 13.7656 13.8747 13.8747 18.0438 18.0438 18.5594 18.5594 20.8523 20.8523 20.9198 20.9198 k = 0.4286 0.1237 0.6124 ( 1330 PWs) bands (ev): -0.3157 -0.3157 0.4418 0.4418 4.8891 4.8891 6.3280 6.3280 9.1110 9.1110 10.9227 10.9227 13.8387 13.8387 13.9441 13.9441 17.9733 17.9733 18.4665 18.4665 20.9065 20.9065 20.9335 20.9335 k = 0.4226 0.1340 0.6124 ( 1326 PWs) bands (ev): -0.3351 -0.3351 0.4555 0.4555 4.8694 4.8694 6.4491 6.4491 8.9499 8.9499 10.9314 10.9314 13.9094 13.9094 14.0118 14.0118 17.9059 17.9059 18.3746 18.3746 20.9453 20.9453 20.9605 20.9605 k = 0.4167 0.1443 0.6124 ( 1326 PWs) bands (ev): -0.3522 -0.3522 0.4674 0.4674 4.8521 4.8521 6.5741 6.5741 8.7889 8.7889 10.9385 10.9385 13.9763 13.9763 14.0766 14.0766 17.8426 17.8426 18.2863 18.2863 20.9555 20.9555 21.0121 21.0121 k = 0.4107 0.1546 0.6124 ( 1326 PWs) bands (ev): -0.3670 -0.3670 0.4774 0.4774 4.8370 4.8370 6.7023 6.7023 8.6290 8.6290 10.9442 10.9442 14.0380 14.0380 14.1369 14.1369 17.7846 17.7846 18.2040 18.2040 20.9639 20.9639 21.0600 21.0600 k = 0.4048 0.1650 0.6124 ( 1321 PWs) bands (ev): -0.3795 -0.3795 0.4858 0.4858 4.8242 4.8242 6.8326 6.8326 8.4714 8.4714 10.9488 10.9488 14.0931 14.0931 14.1914 14.1914 17.7328 17.7328 18.1300 18.1300 20.9707 20.9707 21.1028 21.1028 k = 0.3988 0.1753 0.6124 ( 1321 PWs) bands (ev): -0.3898 -0.3898 0.4925 0.4925 4.8138 4.8138 6.9636 6.9636 8.3179 8.3179 10.9522 10.9522 14.1403 14.1403 14.2385 14.2385 17.6886 17.6886 18.0662 18.0662 20.9760 20.9760 21.1394 21.1394 k = 0.3929 0.1856 0.6124 ( 1321 PWs) bands (ev): -0.3978 -0.3978 0.4976 0.4976 4.8057 4.8057 7.0924 7.0924 8.1715 8.1715 10.9548 10.9548 14.1785 14.1785 14.2768 14.2768 17.6528 17.6528 18.0145 18.0145 20.9798 20.9798 21.1689 21.1689 k = 0.3869 0.1959 0.6124 ( 1327 PWs) bands (ev): -0.4035 -0.4035 0.5012 0.5012 4.7999 4.7999 7.2125 7.2125 8.0387 8.0387 10.9566 10.9566 14.2066 14.2066 14.3052 14.3052 17.6266 17.6266 17.9764 17.9764 20.9825 20.9825 21.1905 21.1905 k = 0.3810 0.2062 0.6124 ( 1331 PWs) bands (ev): -0.4070 -0.4070 0.5034 0.5034 4.7964 4.7964 7.3088 7.3088 7.9348 7.9348 10.9576 10.9576 14.2238 14.2238 14.3227 14.3227 17.6105 17.6105 17.9530 17.9530 20.9840 20.9840 21.2037 21.2037 k = 0.3750 0.2165 0.6124 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.3750 0.2165 0.6124 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.3690 0.2130 0.6025 ( 1330 PWs) bands (ev): -0.4561 -0.4561 0.5534 0.5534 4.7494 4.7494 7.4008 7.4008 7.9201 7.9201 11.1302 11.1302 14.1201 14.1201 14.1989 14.1989 17.4988 17.4988 17.9303 17.9303 21.0868 21.0868 21.3369 21.3369 k = 0.3629 0.2095 0.5926 ( 1316 PWs) bands (ev): -0.5071 -0.5071 0.6048 0.6048 4.7107 4.7107 7.4548 7.4548 7.9490 7.9490 11.2986 11.2986 14.0139 14.0139 14.0707 14.0707 17.3915 17.3915 17.9182 17.9182 21.1742 21.1742 21.4642 21.4642 k = 0.3569 0.2060 0.5827 ( 1324 PWs) bands (ev): -0.5611 -0.5611 0.6583 0.6583 4.6793 4.6793 7.5113 7.5113 7.9785 7.9785 11.4625 11.4625 13.9107 13.9107 13.9444 13.9444 17.2836 17.2836 17.9092 17.9092 21.2440 21.2440 21.5902 21.5902 k = 0.3508 0.2025 0.5729 ( 1320 PWs) bands (ev): -0.6180 -0.6180 0.7140 0.7140 4.6550 4.6550 7.5701 7.5701 8.0085 8.0085 11.6214 11.6214 13.8063 13.8063 13.8245 13.8245 17.1752 17.1752 17.9039 17.9039 21.2888 21.2888 21.5117 21.5117 k = 0.3448 0.1990 0.5630 ( 1316 PWs) bands (ev): -0.6776 -0.6776 0.7716 0.7716 4.6379 4.6379 7.6312 7.6312 8.0388 8.0388 11.7745 11.7745 13.6885 13.6885 13.7235 13.7235 17.0667 17.0667 17.9024 17.9024 21.2730 21.2730 21.4212 21.4212 k = 0.3387 0.1956 0.5531 ( 1316 PWs) bands (ev): -0.7398 -0.7398 0.8314 0.8314 4.6277 4.6277 7.6946 7.6946 8.0695 8.0695 11.9214 11.9214 13.5667 13.5667 13.6322 13.6322 16.9581 16.9581 17.9050 17.9050 21.1647 21.1647 21.4067 21.4067 k = 0.3327 0.1921 0.5432 ( 1316 PWs) bands (ev): -0.8045 -0.8045 0.8931 0.8931 4.6243 4.6243 7.7603 7.7603 8.1003 8.1003 12.0612 12.0612 13.4458 13.4458 13.5459 13.5459 16.8497 16.8497 17.9120 17.9120 21.0283 21.0283 21.4036 21.4036 k = 0.3266 0.1886 0.5334 ( 1316 PWs) bands (ev): -0.8714 -0.8714 0.9567 0.9567 4.6277 4.6277 7.8283 7.8283 8.1312 8.1312 12.1935 12.1935 13.3263 13.3263 13.4643 13.4643 16.7417 16.7417 17.9232 17.9232 20.8867 20.8867 21.3894 21.3894 k = 0.3206 0.1851 0.5235 ( 1316 PWs) bands (ev): -0.9403 -0.9403 1.0223 1.0223 4.6377 4.6377 7.8985 7.8985 8.1620 8.1620 12.3177 12.3177 13.2084 13.2084 13.3874 13.3874 16.6343 16.6343 17.9386 17.9386 20.7437 20.7437 21.3537 21.3537 k = 0.3145 0.1816 0.5136 ( 1316 PWs) bands (ev): -1.0111 -1.0111 1.0898 1.0898 4.6540 4.6540 7.9710 7.9710 8.1926 8.1926 12.4332 12.4332 13.0923 13.0923 13.3152 13.3152 16.5277 16.5277 17.9578 17.9578 20.6003 20.6003 21.2573 21.2573 k = 0.3085 0.1781 0.5037 ( 1326 PWs) bands (ev): -1.0836 -1.0836 1.1590 1.1590 4.6765 4.6765 8.0457 8.0457 8.2229 8.2229 12.5397 12.5397 12.9781 12.9781 13.2479 13.2479 16.4219 16.4219 17.9802 17.9802 20.4568 20.4568 21.1670 21.1670 k = 0.3024 0.1746 0.4938 ( 1324 PWs) bands (ev): -1.1574 -1.1574 1.2301 1.2301 4.7050 4.7050 8.1225 8.1225 8.2528 8.2528 12.6366 12.6366 12.8660 12.8660 13.1856 13.1856 16.3171 16.3171 18.0048 18.0048 20.3130 20.3130 21.0856 21.0856 k = 0.2964 0.1711 0.4840 ( 1326 PWs) bands (ev): -1.2325 -1.2325 1.3029 1.3029 4.7393 4.7393 8.2015 8.2015 8.2822 8.2822 12.7199 12.7199 12.7598 12.7598 13.1285 13.1285 16.2135 16.2135 18.0305 18.0305 20.1689 20.1689 21.0144 21.0144 k = 0.2903 0.1676 0.4741 ( 1326 PWs) bands (ev): -1.3085 -1.3085 1.3773 1.3773 4.7792 4.7792 8.2823 8.2823 8.3112 8.3112 12.6449 12.6449 12.8041 12.8041 13.0766 13.0766 16.1112 16.1112 18.0557 18.0557 20.0242 20.0242 20.9547 20.9547 k = 0.2843 0.1641 0.4642 ( 1326 PWs) bands (ev): -1.3853 -1.3853 1.4534 1.4534 4.8246 4.8246 8.3381 8.3381 8.3666 8.3666 12.5388 12.5388 12.8717 12.8717 13.0304 13.0304 16.0103 16.0103 18.0785 18.0785 19.8788 19.8788 20.9076 20.9076 k = 0.2782 0.1606 0.4543 ( 1326 PWs) bands (ev): -1.4627 -1.4627 1.5310 1.5310 4.8752 4.8752 8.3656 8.3656 8.4516 8.4516 12.4343 12.4343 12.9288 12.9288 12.9912 12.9912 15.9110 15.9110 18.0971 18.0971 19.7324 19.7324 20.8272 20.8272 k = 0.2722 0.1571 0.4445 ( 1330 PWs) bands (ev): -1.5405 -1.5405 1.6101 1.6101 4.9309 4.9309 8.3918 8.3918 8.5389 8.5389 12.3317 12.3317 12.9463 12.9463 12.9879 12.9879 15.8133 15.8133 18.1095 18.1095 19.5847 19.5847 20.7191 20.7191 k = 0.2661 0.1536 0.4346 ( 1328 PWs) bands (ev): -1.6185 -1.6185 1.6906 1.6906 4.9914 4.9914 8.4171 8.4171 8.6282 8.6282 12.2312 12.2312 12.9196 12.9196 13.0257 13.0257 15.7174 15.7174 18.1137 18.1137 19.4354 19.4354 20.6068 20.6068 k = 0.2601 0.1502 0.4247 ( 1328 PWs) bands (ev): -1.6965 -1.6965 1.7724 1.7724 5.0567 5.0567 8.4413 8.4413 8.7195 8.7195 12.1327 12.1327 12.8954 12.8954 13.0583 13.0583 15.6234 15.6234 18.1082 18.1082 19.2842 19.2842 20.4917 20.4917 k = 0.2540 0.1467 0.4148 ( 1328 PWs) bands (ev): -1.7743 -1.7743 1.8555 1.8555 5.1265 5.1265 8.4645 8.4645 8.8126 8.8126 12.0363 12.0363 12.8763 12.8763 13.0836 13.0836 15.5314 15.5314 18.0919 18.0919 19.1308 19.1308 20.3748 20.3748 k = 0.2480 0.1432 0.4050 ( 1320 PWs) bands (ev): -1.8518 -1.8518 1.9397 1.9397 5.2008 5.2008 8.4866 8.4866 8.9076 8.9076 11.9420 11.9420 12.8627 12.8627 13.1018 13.1018 15.4415 15.4415 18.0642 18.0642 18.9750 18.9750 20.2573 20.2573 k = 0.2419 0.1397 0.3951 ( 1328 PWs) bands (ev): -1.9288 -1.9288 2.0250 2.0250 5.2793 5.2793 8.5078 8.5078 9.0043 9.0043 11.8499 11.8499 12.8544 12.8544 13.1135 13.1135 15.3538 15.3538 18.0252 18.0252 18.8166 18.8166 20.1399 20.1399 k = 0.2359 0.1362 0.3852 ( 1332 PWs) bands (ev): -2.0052 -2.0052 2.1113 2.1113 5.3619 5.3619 8.5280 8.5280 9.1028 9.1028 11.7599 11.7599 12.8515 12.8515 13.1192 13.1192 15.2684 15.2684 17.9751 17.9751 18.6555 18.6555 20.0236 20.0236 k = 0.2298 0.1327 0.3753 ( 1334 PWs) bands (ev): -2.0809 -2.0809 2.1984 2.1984 5.4485 5.4485 8.5473 8.5473 9.2028 9.2028 11.6720 11.6720 12.8538 12.8538 13.1195 13.1195 15.1855 15.1855 17.9146 17.9146 18.4917 18.4917 19.9089 19.9089 k = 0.2238 0.1292 0.3654 ( 1334 PWs) bands (ev): -2.1557 -2.1557 2.2863 2.2863 5.5390 5.5390 8.5658 8.5658 9.3044 9.3044 11.5863 11.5863 12.8612 12.8612 13.1150 13.1150 15.1051 15.1051 17.8443 17.8443 18.3251 18.3251 19.7965 19.7965 k = 0.2177 0.1257 0.3556 ( 1330 PWs) bands (ev): -2.2295 -2.2295 2.3748 2.3748 5.6332 5.6332 8.5838 8.5838 9.4075 9.4075 11.5029 11.5029 12.8735 12.8735 13.1061 13.1061 15.0273 15.0273 17.7651 17.7651 18.1560 18.1560 19.6868 19.6868 k = 0.2117 0.1222 0.3457 ( 1330 PWs) bands (ev): -2.3021 -2.3021 2.4638 2.4638 5.7310 5.7310 8.6012 8.6012 9.5118 9.5118 11.4216 11.4216 12.8904 12.8904 13.0935 13.0935 14.9523 14.9523 17.6776 17.6776 17.9844 17.9844 19.5801 19.5801 k = 0.2056 0.1187 0.3358 ( 1330 PWs) bands (ev): -2.3736 -2.3736 2.5531 2.5531 5.8323 5.8323 8.6183 8.6183 9.6174 9.6174 11.3425 11.3425 12.9117 12.9117 13.0775 13.0775 14.8803 14.8803 17.5824 17.5824 17.8106 17.8106 19.4766 19.4766 k = 0.1996 0.1152 0.3259 ( 1330 PWs) bands (ev): -2.4438 -2.4438 2.6427 2.6427 5.9371 5.9371 8.6354 8.6354 9.7240 9.7240 11.2656 11.2656 12.9370 12.9370 13.0588 13.0588 14.8113 14.8113 17.4799 17.4799 17.6350 17.6350 19.3766 19.3766 k = 0.1935 0.1117 0.3161 ( 1330 PWs) bands (ev): -2.5126 -2.5126 2.7324 2.7324 6.0451 6.0451 8.6525 8.6525 9.8316 9.8316 11.1910 11.1910 12.9657 12.9657 13.0378 13.0378 14.7455 14.7455 17.3707 17.3707 17.4580 17.4580 19.2801 19.2801 k = 0.1875 0.1083 0.3062 ( 1336 PWs) bands (ev): -2.5800 -2.5800 2.8219 2.8219 6.1564 6.1564 8.6700 8.6700 9.9399 9.9399 11.1186 11.1186 12.9949 12.9949 13.0176 13.0176 14.6830 14.6830 17.2547 17.2547 17.2799 17.2799 19.1872 19.1872 k = 0.1815 0.1048 0.2963 ( 1336 PWs) bands (ev): -2.6457 -2.6457 2.9112 2.9112 6.2708 6.2708 8.6880 8.6880 10.0488 10.0488 11.0484 11.0484 12.9861 12.9861 13.0366 13.0366 14.6241 14.6241 17.1013 17.1013 17.1324 17.1324 19.0979 19.0979 k = 0.1754 0.1013 0.2864 ( 1342 PWs) bands (ev): -2.7099 -2.7099 3.0001 3.0001 6.3882 6.3882 8.7069 8.7069 10.1581 10.1581 10.9805 10.9805 12.9603 12.9603 13.0734 13.0734 14.5689 14.5689 16.9228 16.9228 17.0037 17.0037 19.0122 19.0122 k = 0.1694 0.0978 0.2766 ( 1341 PWs) bands (ev): -2.7724 -2.7724 3.0883 3.0883 6.5085 6.5085 8.7269 8.7269 10.2675 10.2675 10.9148 10.9148 12.9326 12.9326 13.1128 13.1128 14.5177 14.5177 16.7449 16.7449 16.8689 16.8689 18.9301 18.9301 k = 0.1633 0.0943 0.2667 ( 1341 PWs) bands (ev): -2.8331 -2.8331 3.1757 3.1757 6.6316 6.6316 8.7482 8.7482 10.3768 10.3768 10.8514 10.8514 12.9038 12.9038 13.1533 13.1533 14.4706 14.4706 16.5684 16.5684 16.7280 16.7280 18.8515 18.8515 k = 0.1573 0.0908 0.2568 ( 1341 PWs) bands (ev): -2.8920 -2.8920 3.2621 3.2621 6.7575 6.7575 8.7712 8.7712 10.4856 10.4856 10.7903 10.7903 12.8743 12.8743 13.1943 13.1943 14.4279 14.4279 16.3940 16.3940 16.5813 16.5813 18.7764 18.7764 k = 0.1512 0.0873 0.2469 ( 1341 PWs) bands (ev): -2.9491 -2.9491 3.3473 3.3473 6.8859 6.8859 8.7961 8.7961 10.5937 10.5937 10.7315 10.7315 12.8443 12.8443 13.2347 13.2347 14.3900 14.3900 16.2226 16.2226 16.4289 16.4289 18.7048 18.7048 k = 0.1452 0.0838 0.2370 ( 1345 PWs) bands (ev): -3.0042 -3.0042 3.4311 3.4311 7.0170 7.0170 8.8230 8.8230 10.6744 10.6744 10.7011 10.7011 12.8140 12.8140 13.2734 13.2734 14.3570 14.3570 16.0553 16.0553 16.2711 16.2711 18.6366 18.6366 k = 0.1391 0.0803 0.2272 ( 1345 PWs) bands (ev): -3.0574 -3.0574 3.5132 3.5132 7.1504 7.1504 8.8524 8.8524 10.6205 10.6205 10.8062 10.8062 12.7834 12.7834 13.3092 13.3092 14.3293 14.3293 15.8932 15.8932 16.1085 16.1085 18.5717 18.5717 k = 0.1331 0.0768 0.2173 ( 1349 PWs) bands (ev): -3.1086 -3.1086 3.5934 3.5934 7.2861 7.2861 8.8844 8.8844 10.5685 10.5685 10.9097 10.9097 12.7529 12.7529 13.3404 13.3404 14.3073 14.3073 15.7380 15.7380 15.9413 15.9413 18.5101 18.5101 k = 0.1270 0.0733 0.2074 ( 1349 PWs) bands (ev): -3.1578 -3.1578 3.6715 3.6715 7.4240 7.4240 8.9191 8.9191 10.5188 10.5188 11.0107 11.0107 12.7224 12.7224 13.3653 13.3653 14.2913 14.2913 15.5913 15.5913 15.7703 15.7703 18.4518 18.4518 k = 0.1210 0.0698 0.1975 ( 1349 PWs) bands (ev): -3.2049 -3.2049 3.7474 3.7474 7.5639 7.5639 8.9569 8.9569 10.4713 10.4713 11.1088 11.1088 12.6920 12.6920 13.3817 13.3817 14.2817 14.2817 15.4552 15.4552 15.5960 15.5960 18.3967 18.3967 k = 0.1149 0.0663 0.1877 ( 1341 PWs) bands (ev): -3.2499 -3.2499 3.8208 3.8208 7.7057 7.7057 8.9978 8.9978 10.4262 10.4262 11.2035 11.2035 12.6619 12.6619 13.3873 13.3873 14.2789 14.2789 15.3319 15.3319 15.4191 15.4191 18.3448 18.3448 k = 0.1089 0.0629 0.1778 ( 1333 PWs) bands (ev): -3.2927 -3.2927 3.8914 3.8914 7.8492 7.8492 9.0420 9.0420 10.3834 10.3834 11.2942 11.2942 12.6320 12.6320 13.3796 13.3796 14.2831 14.2831 15.2223 15.2223 15.2418 15.2418 18.2960 18.2960 k = 0.1028 0.0594 0.1679 ( 1333 PWs) bands (ev): -3.3334 -3.3334 3.9591 3.9591 7.9943 7.9943 9.0896 9.0896 10.3428 10.3428 11.3804 11.3804 12.6023 12.6023 13.3565 13.3565 14.2947 14.2947 15.0590 15.0590 15.1344 15.1344 18.2503 18.2503 k = 0.0968 0.0559 0.1580 ( 1331 PWs) bands (ev): -3.3719 -3.3719 4.0238 4.0238 8.1406 8.1406 9.1405 9.1405 10.3046 10.3046 11.4617 11.4617 12.5728 12.5728 13.3166 13.3166 14.3139 14.3139 14.8787 14.8787 15.0621 15.0621 18.2076 18.2076 k = 0.0907 0.0524 0.1482 ( 1335 PWs) bands (ev): -3.4081 -3.4081 4.0852 4.0852 8.2879 8.2879 9.1947 9.1947 10.2687 10.2687 11.5376 11.5376 12.5433 12.5433 13.2598 13.2598 14.3408 14.3408 14.6988 14.6988 15.0089 15.0089 18.1680 18.1680 k = 0.0847 0.0489 0.1383 ( 1335 PWs) bands (ev): -3.4422 -3.4422 4.1432 4.1432 8.4359 8.4359 9.2522 9.2522 10.2351 10.2351 11.6077 11.6077 12.5138 12.5138 13.1870 13.1870 14.3753 14.3753 14.5203 14.5203 14.9734 14.9734 18.1313 18.1313 k = 0.0786 0.0454 0.1284 ( 1339 PWs) bands (ev): -3.4739 -3.4739 4.1976 4.1976 8.5842 8.5842 9.3127 9.3127 10.2038 10.2038 11.6719 11.6719 12.4840 12.4840 13.1004 13.1004 14.3440 14.3440 14.4174 14.4174 14.9536 14.9536 18.0976 18.0976 k = 0.0726 0.0419 0.1185 ( 1339 PWs) bands (ev): -3.5034 -3.5034 4.2483 4.2483 8.7323 8.7323 9.3760 9.3760 10.1748 10.1748 11.7300 11.7300 12.4536 12.4536 13.0030 13.0030 14.1717 14.1717 14.4664 14.4664 14.9466 14.9466 18.0667 18.0667 k = 0.0665 0.0384 0.1086 ( 1343 PWs) bands (ev): -3.5306 -3.5306 4.2952 4.2952 8.8796 8.8796 9.4416 9.4416 10.1481 10.1481 11.7820 11.7820 12.4221 12.4221 12.8978 12.8978 14.0043 14.0043 14.5217 14.5217 14.9496 14.9496 18.0387 18.0387 k = 0.0605 0.0349 0.0988 ( 1343 PWs) bands (ev): -3.5555 -3.5555 4.3383 4.3383 9.0255 9.0255 9.5091 9.5091 10.1237 10.1237 11.8281 11.8281 12.3891 12.3891 12.7879 12.7879 13.8434 13.8434 14.5825 14.5825 14.9598 14.9598 18.0134 18.0134 k = 0.0544 0.0314 0.0889 ( 1341 PWs) bands (ev): -3.5780 -3.5780 4.3774 4.3774 9.1690 9.1690 9.5777 9.5777 10.1017 10.1017 11.8683 11.8683 12.3540 12.3540 12.6761 12.6761 13.6909 13.6909 14.6476 14.6476 14.9749 14.9749 17.9908 17.9908 k = 0.0484 0.0279 0.0790 ( 1345 PWs) bands (ev): -3.5982 -3.5982 4.4124 4.4124 9.3088 9.3088 9.6465 9.6465 10.0819 10.0819 11.9030 11.9030 12.3162 12.3162 12.5652 12.5652 13.5489 13.5489 14.7155 14.7155 14.9927 14.9927 17.9709 17.9709 k = 0.0423 0.0244 0.0691 ( 1341 PWs) bands (ev): -3.6161 -3.6161 4.4435 4.4435 9.4435 9.4435 9.7143 9.7143 10.0645 10.0645 11.9325 11.9325 12.2751 12.2751 12.4577 12.4577 13.4194 13.4194 14.7844 14.7844 15.0117 15.0117 17.9535 17.9535 k = 0.0363 0.0210 0.0593 ( 1345 PWs) bands (ev): -3.6316 -3.6316 4.4704 4.4704 9.5711 9.5711 9.7797 9.7797 10.0495 10.0495 11.9572 11.9572 12.2306 12.2306 12.3562 12.3562 13.3049 13.3049 14.8521 14.8521 15.0305 15.0305 17.9386 17.9386 k = 0.0302 0.0175 0.0494 ( 1353 PWs) bands (ev): -3.6447 -3.6447 4.4932 4.4932 9.6890 9.6890 9.8409 9.8409 10.0367 10.0367 11.9774 11.9774 12.1836 12.1836 12.2632 12.2632 13.2071 13.2071 14.9164 14.9164 15.0480 15.0480 17.9262 17.9262 k = 0.0242 0.0140 0.0395 ( 1357 PWs) bands (ev): -3.6555 -3.6555 4.5118 4.5118 9.7941 9.7941 9.8959 9.8959 10.0263 10.0263 11.9934 11.9934 12.1361 12.1361 12.1815 12.1815 13.1274 13.1274 14.9745 14.9745 15.0634 15.0634 17.9161 17.9161 k = 0.0181 0.0105 0.0296 ( 1363 PWs) bands (ev): -3.6638 -3.6638 4.5264 4.5264 9.8825 9.8825 9.9423 9.9423 10.0182 10.0182 12.0056 12.0056 12.0914 12.0914 12.1139 12.1139 13.0662 13.0662 15.0237 15.0237 15.0760 15.0760 17.9083 17.9083 k = 0.0121 0.0070 0.0198 ( 1363 PWs) bands (ev): -3.6698 -3.6698 4.5368 4.5368 9.9500 9.9500 9.9778 9.9778 10.0126 10.0126 12.0141 12.0141 12.0543 12.0543 12.0631 12.0631 13.0233 13.0233 15.0613 15.0613 15.0853 15.0853 17.9028 17.9028 k = 0.0060 0.0035 0.0099 ( 1363 PWs) bands (ev): -3.6734 -3.6734 4.5430 4.5430 9.9919 9.9919 9.9997 9.9997 10.0103 10.0103 12.0191 12.0191 12.0295 12.0295 12.0315 12.0315 12.9980 12.9980 15.0849 15.0849 15.0911 15.0911 17.8995 17.9004 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -3.6746 -3.6746 4.5451 4.5451 10.0048 10.0048 10.0048 10.0048 10.0132 10.0132 12.0207 12.0207 12.0208 12.0208 12.0208 12.0208 12.9896 12.9896 15.0930 15.0930 15.0930 15.0930 17.8983 17.8985 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -3.6746 -3.6746 4.5451 4.5451 10.0048 10.0048 10.0048 10.0048 10.0132 10.0132 12.0207 12.0207 12.0208 12.0208 12.0208 12.0208 12.9896 12.9896 15.0930 15.0930 15.0930 15.0930 17.8983 17.8985 k = 0.0098 0.0057 0.0040 ( 1363 PWs) bands (ev): -3.6734 -3.6734 4.5430 4.5430 9.9896 9.9896 10.0031 10.0031 10.0095 10.0095 12.0226 12.0226 12.0226 12.0226 12.0347 12.0347 12.9979 12.9979 15.0880 15.0880 15.0881 15.0881 17.8958 17.8958 k = 0.0196 0.0113 0.0080 ( 1363 PWs) bands (ev): -3.6699 -3.6699 4.5369 4.5369 9.9402 9.9402 9.9980 9.9980 10.0036 10.0036 12.0278 12.0278 12.0280 12.0280 12.0741 12.0741 13.0230 13.0230 15.0735 15.0735 15.0737 15.0737 17.8882 17.8882 k = 0.0294 0.0170 0.0120 ( 1363 PWs) bands (ev): -3.6640 -3.6640 4.5266 4.5266 9.8624 9.8624 9.9895 9.9895 9.9949 9.9949 12.0364 12.0364 12.0369 12.0369 12.1334 12.1334 13.0662 13.0662 15.0502 15.0502 15.0506 15.0506 17.8755 17.8755 k = 0.0392 0.0226 0.0160 ( 1357 PWs) bands (ev): -3.6557 -3.6557 4.5123 4.5123 9.7622 9.7622 9.9779 9.9779 9.9830 9.9830 12.0477 12.0477 12.0487 12.0487 12.2053 12.2053 13.1288 13.1288 15.0194 15.0194 15.0201 15.0201 17.8582 17.8582 k = 0.0490 0.0283 0.0200 ( 1351 PWs) bands (ev): -3.6452 -3.6452 4.4938 4.4938 9.6455 9.6455 9.9633 9.9633 9.9681 9.9681 12.0615 12.0615 12.0631 12.0631 12.2825 12.2825 13.2122 13.2122 14.9828 14.9828 14.9838 14.9838 17.8365 17.8365 k = 0.0588 0.0340 0.0240 ( 1351 PWs) bands (ev): -3.6322 -3.6322 4.4712 4.4712 9.5170 9.5170 9.9462 9.9462 9.9506 9.9506 12.0770 12.0770 12.0793 12.0793 12.3596 12.3596 13.3169 13.3169 14.9420 14.9420 14.9435 14.9435 17.8108 17.8108 k = 0.0686 0.0396 0.0280 ( 1345 PWs) bands (ev): -3.6170 -3.6170 4.4444 4.4444 9.3805 9.3805 9.9267 9.9267 9.9308 9.9308 12.0935 12.0935 12.0966 12.0966 12.4336 12.4336 13.4420 13.4420 14.8991 14.8991 14.9010 14.9010 17.7816 17.7816 k = 0.0784 0.0453 0.0320 ( 1339 PWs) bands (ev): -3.5994 -3.5994 4.4135 4.4135 9.2391 9.2391 9.9053 9.9053 9.9089 9.9089 12.1102 12.1102 12.1141 12.1141 12.5034 12.5034 13.5855 13.5855 14.8557 14.8557 14.8582 14.8582 17.7497 17.7497 k = 0.0882 0.0509 0.0360 ( 1345 PWs) bands (ev): -3.5795 -3.5795 4.3784 4.3784 9.0949 9.0949 9.8821 9.8821 9.8853 9.8853 12.1262 12.1262 12.1311 12.1311 12.5694 12.5694 13.7446 13.7446 14.8138 14.8138 14.8168 14.8168 17.7154 17.7154 k = 0.0980 0.0566 0.0400 ( 1345 PWs) bands (ev): -3.5573 -3.5573 4.3390 4.3390 8.9495 8.9495 9.8576 9.8576 9.8603 9.8603 12.1405 12.1405 12.1464 12.1464 12.6325 12.6325 13.9161 13.9161 14.7750 14.7750 14.7786 14.7786 17.6798 17.6798 k = 0.1078 0.0623 0.0440 ( 1339 PWs) bands (ev): -3.5328 -3.5328 4.2954 4.2954 8.8044 8.8044 9.8320 9.8320 9.8342 9.8342 12.1522 12.1522 12.1591 12.1591 12.6939 12.6939 14.0973 14.0973 14.7408 14.7408 14.7451 14.7451 17.6436 17.6436 k = 0.1176 0.0679 0.0480 ( 1333 PWs) bands (ev): -3.5061 -3.5061 4.2476 4.2476 8.6605 8.6605 9.8056 9.8056 9.8074 9.8074 12.1603 12.1603 12.1684 12.1684 12.7545 12.7545 14.2855 14.2855 14.7128 14.7128 14.7177 14.7177 17.6078 17.6078 k = 0.1275 0.0736 0.0520 ( 1333 PWs) bands (ev): -3.4771 -3.4771 4.1955 4.1955 8.5187 8.5187 9.7787 9.7787 9.7800 9.7800 12.1640 12.1640 12.1732 12.1732 12.8152 12.8152 14.4782 14.4782 14.6924 14.6924 14.6977 14.6977 17.5735 17.5735 k = 0.1373 0.0792 0.0560 ( 1333 PWs) bands (ev): -3.4459 -3.4459 4.1392 4.1392 8.3797 8.3797 9.7516 9.7516 9.7524 9.7524 12.1626 12.1626 12.1729 12.1729 12.8764 12.8764 14.6677 14.6677 14.6860 14.6860 14.6862 14.6862 17.5422 17.5422 k = 0.1471 0.0849 0.0600 ( 1333 PWs) bands (ev): -3.4125 -3.4125 4.0787 4.0787 8.2439 8.2439 9.7244 9.7244 9.7247 9.7247 12.1555 12.1555 12.1668 12.1668 12.9386 12.9386 14.6766 14.6766 14.6839 14.6839 14.8695 14.8695 17.5156 17.5156 k = 0.1569 0.0906 0.0640 ( 1336 PWs) bands (ev): -3.3769 -3.3769 4.0139 4.0139 8.1118 8.1118 9.6972 9.6972 9.6973 9.6973 12.1422 12.1422 12.1546 12.1546 13.0020 13.0020 14.6838 14.6838 14.6915 14.6915 15.0621 15.0621 17.4958 17.4958 k = 0.1667 0.0962 0.0680 ( 1330 PWs) bands (ev): -3.3391 -3.3391 3.9450 3.9450 7.9839 7.9839 9.6700 9.6700 9.6707 9.6707 12.1228 12.1228 12.1361 12.1361 13.0667 13.0667 14.7011 14.7011 14.7091 14.7091 15.2494 15.2494 17.4855 17.4855 k = 0.1765 0.1019 0.0720 ( 1336 PWs) bands (ev): -3.2993 -3.2993 3.8720 3.8720 7.8602 7.8602 9.6433 9.6433 9.6445 9.6445 12.0972 12.0972 12.1114 12.1114 13.1328 13.1328 14.7286 14.7286 14.7369 14.7369 15.4275 15.4275 17.4883 17.4883 k = 0.1863 0.1075 0.0760 ( 1336 PWs) bands (ev): -3.2573 -3.2573 3.7951 3.7951 7.7412 7.7412 9.6172 9.6172 9.6189 9.6189 12.0657 12.0657 12.0807 12.0807 13.2001 13.2001 14.7662 14.7662 14.7747 14.7747 15.5924 15.5924 17.5083 17.5083 k = 0.1961 0.1132 0.0800 ( 1336 PWs) bands (ev): -3.2134 -3.2134 3.7143 3.7143 7.6270 7.6270 9.5919 9.5919 9.5941 9.5941 12.0288 12.0288 12.0445 12.0445 13.2687 13.2687 14.8135 14.8135 14.8221 14.8221 15.7393 15.7393 17.5500 17.5500 k = 0.2059 0.1189 0.0841 ( 1336 PWs) bands (ev): -3.1674 -3.1674 3.6298 3.6298 7.5176 7.5176 9.5675 9.5675 9.5702 9.5702 11.9869 11.9869 12.0033 12.0033 13.3384 13.3384 14.8699 14.8699 14.8786 14.8786 15.8638 15.8638 17.6180 17.6180 k = 0.2157 0.1245 0.0881 ( 1336 PWs) bands (ev): -3.1195 -3.1195 3.5419 3.5419 7.4132 7.4132 9.5440 9.5440 9.5472 9.5472 11.9408 11.9408 11.9577 11.9577 13.4090 13.4090 14.9350 14.9350 14.9436 14.9436 15.9631 15.9631 17.7151 17.7151 k = 0.2255 0.1302 0.0921 ( 1339 PWs) bands (ev): -3.0696 -3.0696 3.4506 3.4506 7.3138 7.3138 9.5215 9.5215 9.5253 9.5253 11.8911 11.8911 11.9085 11.9085 13.4803 13.4803 15.0079 15.0079 15.0165 15.0165 16.0368 16.0368 17.8418 17.8418 k = 0.2353 0.1358 0.0961 ( 1339 PWs) bands (ev): -3.0180 -3.0180 3.3562 3.3562 7.2193 7.2193 9.5002 9.5002 9.5044 9.5044 11.8383 11.8383 11.8562 11.8562 13.5520 13.5520 15.0882 15.0882 15.0967 15.0967 16.0869 16.0869 17.9961 17.9961 k = 0.2451 0.1415 0.1001 ( 1339 PWs) bands (ev): -2.9646 -2.9646 3.2591 3.2591 7.1298 7.1298 9.4800 9.4800 9.4848 9.4848 11.7832 11.7832 11.8015 11.8015 13.6240 13.6240 15.1752 15.1752 15.1834 15.1834 16.1173 16.1173 18.1743 18.1743 k = 0.2549 0.1472 0.1041 ( 1338 PWs) bands (ev): -2.9094 -2.9094 3.1595 3.1595 7.0452 7.0452 9.4610 9.4610 9.4663 9.4663 11.7263 11.7263 11.7450 11.7450 13.6960 13.6960 15.2681 15.2681 15.2762 15.2762 16.1325 16.1325 18.3719 18.3719 k = 0.2647 0.1528 0.1081 ( 1338 PWs) bands (ev): -2.8527 -2.8527 3.0577 3.0577 6.9653 6.9653 9.4432 9.4432 9.4490 9.4490 11.6681 11.6681 11.6873 11.6873 13.7675 13.7675 15.3666 15.3666 15.3744 15.3744 16.1365 16.1365 18.5851 18.5851 k = 0.2745 0.1585 0.1121 ( 1344 PWs) bands (ev): -2.7945 -2.7945 2.9541 2.9541 6.8901 6.8901 9.4267 9.4267 9.4330 9.4330 11.6092 11.6092 11.6287 11.6287 13.8383 13.8383 15.4699 15.4699 15.4774 15.4774 16.1328 16.1328 18.8104 18.8104 k = 0.2843 0.1641 0.1161 ( 1338 PWs) bands (ev): -2.7348 -2.7348 2.8490 2.8490 6.8193 6.8193 9.4114 9.4114 9.4183 9.4183 11.5500 11.5500 11.5699 11.5699 13.9081 13.9081 15.5777 15.5777 15.5849 15.5849 16.1239 16.1239 19.0454 19.0454 k = 0.2941 0.1698 0.1201 ( 1338 PWs) bands (ev): -2.6739 -2.6739 2.7427 2.7427 6.7530 6.7530 9.3974 9.3974 9.4048 9.4048 11.4909 11.4909 11.5112 11.5112 13.9765 13.9765 15.6895 15.6895 15.6964 15.6964 16.1120 16.1120 19.2881 19.2881 k = 0.3039 0.1755 0.1241 ( 1335 PWs) bands (ev): -2.6118 -2.6118 2.6357 2.6357 6.6909 6.6909 9.3846 9.3846 9.3927 9.3927 11.4323 11.4323 11.4530 11.4530 14.0430 14.0430 15.8047 15.8047 15.8113 15.8113 16.0987 16.0987 19.5370 19.5370 k = 0.3137 0.1811 0.1281 ( 1335 PWs) bands (ev): -2.5488 -2.5488 2.5283 2.5283 6.6328 6.6328 9.3731 9.3731 9.3817 9.3817 11.3744 11.3744 11.3955 11.3955 14.1073 14.1073 15.9229 15.9229 15.9292 15.9292 16.0851 16.0851 19.7908 19.7908 k = 0.3235 0.1868 0.1321 ( 1332 PWs) bands (ev): -2.4848 -2.4848 2.4210 2.4210 6.5787 6.5787 9.3628 9.3628 9.3720 9.3720 11.3177 11.3177 11.3392 11.3392 14.1690 14.1690 16.0434 16.0434 16.0498 16.0498 16.0727 16.0727 20.0488 20.0488 k = 0.3333 0.1925 0.1361 ( 1338 PWs) bands (ev): -2.4203 -2.4203 2.3142 2.3142 6.5283 6.5283 9.3537 9.3537 9.3634 9.3634 11.2623 11.2623 11.2843 11.2843 14.2278 14.2278 16.0605 16.0605 16.1672 16.1672 16.1726 16.1726 20.3100 20.3100 k = 0.3431 0.1981 0.1401 ( 1332 PWs) bands (ev): -2.3554 -2.3554 2.2083 2.2083 6.4816 6.4816 9.3457 9.3457 9.3560 9.3560 11.2086 11.2086 11.2310 11.2310 14.2832 14.2832 16.0510 16.0510 16.2921 16.2921 16.2971 16.2971 20.5740 20.5740 k = 0.3529 0.2038 0.1441 ( 1335 PWs) bands (ev): -2.2904 -2.2904 2.1038 2.1038 6.4384 6.4384 9.3388 9.3388 9.3497 9.3497 11.1568 11.1568 11.1796 11.1796 14.3350 14.3350 16.0437 16.0437 16.4183 16.4183 16.4229 16.4229 20.8401 20.8401 k = 0.3627 0.2094 0.1481 ( 1335 PWs) bands (ev): -2.2256 -2.2256 2.0012 2.0012 6.3985 6.3985 9.3330 9.3330 9.3445 9.3445 11.1070 11.1070 11.1303 11.1303 14.3829 14.3829 16.0390 16.0390 16.5453 16.5453 16.5496 16.5496 21.1079 21.1079 k = 0.3725 0.2151 0.1521 ( 1338 PWs) bands (ev): -2.1612 -2.1612 1.9009 1.9009 6.3619 6.3619 9.3281 9.3281 9.3402 9.3402 11.0596 11.0596 11.0833 11.0833 14.4268 14.4268 16.0368 16.0368 16.6726 16.6726 16.6765 16.6765 21.3768 21.3768 k = 0.3824 0.2208 0.1561 ( 1332 PWs) bands (ev): -2.0978 -2.0978 1.8036 1.8036 6.3285 6.3285 9.3241 9.3241 9.3368 9.3368 11.0147 11.0147 11.0389 11.0389 14.4664 14.4664 16.0372 16.0372 16.7995 16.7995 16.8029 16.8029 21.6463 21.6463 k = 0.3922 0.2264 0.1601 ( 1338 PWs) bands (ev): -2.0357 -2.0357 1.7098 1.7098 6.2980 6.2980 9.3209 9.3209 9.3342 9.3342 10.9725 10.9725 10.9972 10.9972 14.5018 14.5018 16.0400 16.0400 16.9253 16.9253 16.9283 16.9283 21.5532 21.5532 k = 0.4020 0.2321 0.1641 ( 1338 PWs) bands (ev): -1.9755 -1.9755 1.6203 1.6203 6.2706 6.2706 9.3185 9.3185 9.3323 9.3323 10.9332 10.9332 10.9583 10.9583 14.5330 14.5330 16.0449 16.0449 17.0491 17.0491 17.0516 17.0516 21.4275 21.4276 k = 0.4118 0.2377 0.1681 ( 1332 PWs) bands (ev): -1.9177 -1.9177 1.5356 1.5356 6.2459 6.2459 9.3167 9.3167 9.3310 9.3310 10.8970 10.8970 10.9226 10.9226 14.5601 14.5601 16.0515 16.0515 17.1699 17.1699 17.1720 17.1720 21.3018 21.3018 k = 0.4216 0.2434 0.1721 ( 1338 PWs) bands (ev): -1.8629 -1.8629 1.4565 1.4565 6.2241 6.2241 9.3154 9.3154 9.3302 9.3302 10.8640 10.8640 10.8901 10.8901 14.5834 14.5834 16.0594 16.0594 17.2865 17.2865 17.2881 17.2881 21.1785 21.1785 k = 0.4314 0.2491 0.1761 ( 1344 PWs) bands (ev): -1.8120 -1.8120 1.3838 1.3838 6.2050 6.2050 9.3145 9.3145 9.3298 9.3298 10.8345 10.8345 10.8609 10.8609 14.6030 14.6030 16.0679 16.0679 17.3974 17.3974 17.3985 17.3985 21.0602 21.0602 k = 0.4412 0.2547 0.1801 ( 1338 PWs) bands (ev): -1.7655 -1.7655 1.3184 1.3184 6.1885 6.1885 9.3140 9.3140 9.3298 9.3298 10.8086 10.8086 10.8354 10.8354 14.6193 14.6193 16.0768 16.0768 17.5009 17.5009 17.5014 17.5014 20.9492 20.9492 k = 0.4510 0.2604 0.1841 ( 1335 PWs) bands (ev): -1.7244 -1.7244 1.2611 1.2611 6.1747 6.1747 9.3138 9.3138 9.3299 9.3299 10.7863 10.7863 10.8135 10.8135 14.6325 14.6325 16.0853 16.0853 17.5948 17.5948 17.5949 17.5949 20.8481 20.8481 k = 0.4608 0.2660 0.1881 ( 1335 PWs) bands (ev): -1.6893 -1.6893 1.2128 1.2128 6.1634 6.1634 9.3137 9.3137 9.3302 9.3302 10.7680 10.7680 10.7954 10.7954 14.6429 14.6429 16.0930 16.0930 17.6764 17.6764 17.6769 17.6769 20.7598 20.7598 k = 0.4706 0.2717 0.1921 ( 1335 PWs) bands (ev): -1.6611 -1.6611 1.1742 1.1742 6.1546 6.1546 9.3138 9.3138 9.3305 9.3305 10.7535 10.7535 10.7812 10.7812 14.6507 14.6507 16.0994 16.0994 17.7436 17.7436 17.7445 17.7445 20.6871 20.6871 k = 0.4804 0.2774 0.1961 ( 1347 PWs) bands (ev): -1.6404 -1.6404 1.1460 1.1460 6.1484 6.1484 9.3138 9.3138 9.3307 9.3307 10.7432 10.7432 10.7710 10.7710 14.6562 14.6562 16.1043 16.1043 17.7939 17.7939 17.7951 17.7951 20.6326 20.6326 k = 0.4902 0.2830 0.2001 ( 1350 PWs) bands (ev): -1.6278 -1.6278 1.1289 1.1289 6.1447 6.1447 9.3139 9.3139 9.3309 9.3309 10.7369 10.7369 10.7649 10.7649 14.6594 14.6594 16.1074 16.1074 17.8251 17.8251 17.8265 17.8265 20.5988 20.5988 k = 0.5000 0.2887 0.2041 ( 1350 PWs) bands (ev): -1.6236 -1.6236 1.1231 1.1231 6.1435 6.1435 9.3139 9.3139 9.3310 9.3310 10.7348 10.7348 10.7628 10.7628 14.6604 14.6604 16.1084 16.1084 17.8357 17.8357 17.8372 17.8372 20.5874 20.5874 k = 0.5000 0.2887 0.2041 ( 1350 PWs) bands (ev): -1.6236 -1.6236 1.1231 1.1231 6.1435 6.1435 9.3139 9.3139 9.3310 9.3310 10.7348 10.7348 10.7628 10.7628 14.6604 14.6604 16.1084 16.1084 17.8357 17.8357 17.8372 17.8372 20.5874 20.5874 k = 0.5035 0.2787 0.2098 ( 1350 PWs) bands (ev): -1.6224 -1.6224 1.1233 1.1233 6.1393 6.1393 9.3085 9.3085 9.3264 9.3264 10.7404 10.7404 10.7692 10.7692 14.6665 14.6665 16.0991 16.0991 17.8340 17.8340 17.8466 17.8466 20.5880 20.5880 k = 0.5069 0.2686 0.2155 ( 1348 PWs) bands (ev): -1.6190 -1.6190 1.1236 1.1236 6.1268 6.1268 9.2892 9.2892 9.3162 9.3162 10.7526 10.7526 10.7920 10.7920 14.6842 14.6842 16.0723 16.0723 17.8271 17.8271 17.8762 17.8762 20.5863 20.5863 k = 0.5104 0.2586 0.2211 ( 1342 PWs) bands (ev): -1.6133 -1.6133 1.1242 1.1242 6.1062 6.1062 9.2549 9.2549 9.3030 9.3030 10.7677 10.7677 10.8339 10.8339 14.7125 14.7125 16.0311 16.0311 17.8157 17.8157 17.9228 17.9228 20.5809 20.5809 k = 0.5139 0.2486 0.2268 ( 1340 PWs) bands (ev): -1.6054 -1.6054 1.1249 1.1249 6.0779 6.0779 9.2087 9.2087 9.2856 9.2856 10.7866 10.7866 10.8919 10.8919 14.7491 14.7491 15.9802 15.9802 17.8001 17.8001 17.9833 17.9833 20.5734 20.5734 k = 0.5174 0.2386 0.2325 ( 1338 PWs) bands (ev): -1.5952 -1.5952 1.1257 1.1257 6.0423 6.0423 9.1536 9.1536 9.2634 9.2634 10.8107 10.8107 10.9627 10.9627 14.7905 14.7905 15.9256 15.9256 17.7806 17.7806 18.0540 18.0540 20.5649 20.5649 k = 0.5208 0.2285 0.2381 ( 1341 PWs) bands (ev): -1.5827 -1.5827 1.1266 1.1266 6.0001 6.0001 9.0918 9.0918 9.2361 9.2361 10.8405 10.8405 11.0437 11.0437 14.8316 14.8316 15.8746 15.8746 17.7578 17.7578 18.1317 18.1317 20.5565 20.5565 k = 0.5243 0.2185 0.2438 ( 1345 PWs) bands (ev): -1.5680 -1.5680 1.1274 1.1274 5.9517 5.9517 9.0252 9.0252 9.2036 9.2036 10.8765 10.8765 11.1331 11.1331 14.8650 14.8650 15.8361 15.8361 17.7320 17.7320 18.2135 18.2135 20.5494 20.5494 k = 0.5278 0.2085 0.2495 ( 1337 PWs) bands (ev): -1.5511 -1.5511 1.1281 1.1281 5.8980 5.8980 8.9552 8.9552 9.1661 9.1661 10.9184 10.9184 11.2293 11.2293 14.8817 14.8817 15.8202 15.8202 17.7038 17.7038 18.2966 18.2966 20.5448 20.5448 k = 0.5312 0.1985 0.2552 ( 1337 PWs) bands (ev): -1.5319 -1.5319 1.1286 1.1286 5.8396 5.8396 8.8830 8.8830 9.1239 9.1239 10.9662 10.9662 11.3310 11.3310 14.8740 14.8740 15.8351 15.8351 17.6736 17.6736 18.3791 18.3791 20.5440 20.5440 k = 0.5347 0.1884 0.2608 ( 1337 PWs) bands (ev): -1.5106 -1.5106 1.1286 1.1286 5.7772 5.7772 8.8095 8.8095 9.0775 9.0775 11.0194 11.0194 11.4373 11.4373 14.8393 14.8393 15.8839 15.8839 17.6420 17.6420 18.4591 18.4591 20.5481 20.5481 k = 0.5382 0.1784 0.2665 ( 1340 PWs) bands (ev): -1.4870 -1.4870 1.1281 1.1281 5.7117 5.7117 8.7353 8.7353 9.0276 9.0276 11.0774 11.0774 11.5474 11.5474 14.7807 14.7807 15.9634 15.9634 17.6094 17.6094 18.5353 18.5353 20.5584 20.5584 k = 0.5417 0.1684 0.2722 ( 1338 PWs) bands (ev): -1.4613 -1.4613 1.1270 1.1270 5.6437 5.6437 8.6611 8.6611 8.9746 8.9746 11.1395 11.1395 11.6606 11.6606 14.7044 14.7044 16.0673 16.0673 17.5764 17.5764 18.6067 18.6067 20.5756 20.5756 k = 0.5451 0.1584 0.2778 ( 1338 PWs) bands (ev): -1.4334 -1.4334 1.1249 1.1249 5.5740 5.5740 8.5873 8.5873 8.9192 8.9192 11.2047 11.2047 11.7765 11.7765 14.6165 14.6165 16.1894 16.1894 17.5433 17.5433 18.6730 18.6730 20.6005 20.6005 k = 0.5486 0.1483 0.2835 ( 1336 PWs) bands (ev): -1.4034 -1.4034 1.1217 1.1217 5.5032 5.5032 8.5142 8.5142 8.8620 8.8620 11.2721 11.2721 11.8945 11.8945 14.5215 14.5215 16.3243 16.3243 17.5106 17.5106 18.7343 18.7343 20.6331 20.6331 k = 0.5521 0.1383 0.2892 ( 1332 PWs) bands (ev): -1.3713 -1.3713 1.1173 1.1173 5.4322 5.4322 8.4420 8.4420 8.8037 8.8037 11.3406 11.3406 12.0143 12.0143 14.4231 14.4231 16.4680 16.4680 17.4787 17.4787 18.7914 18.7914 20.6731 20.6731 k = 0.5556 0.1283 0.2948 ( 1328 PWs) bands (ev): -1.3371 -1.3371 1.1113 1.1113 5.3616 5.3616 8.3710 8.3710 8.7447 8.7447 11.4090 11.4090 12.1356 12.1356 14.3240 14.3240 16.6170 16.6170 17.4481 17.4481 18.8458 18.8458 20.7199 20.7199 k = 0.5590 0.1183 0.3005 ( 1330 PWs) bands (ev): -1.3009 -1.3009 1.1035 1.1035 5.2919 5.2919 8.3014 8.3014 8.6855 8.6855 11.4759 11.4759 12.2578 12.2578 14.2264 14.2264 16.7682 16.7682 17.4190 17.4190 18.8997 18.8997 20.7724 20.7724 k = 0.5625 0.1083 0.3062 ( 1334 PWs) bands (ev): -1.2627 -1.2627 1.0937 1.0937 5.2240 5.2240 8.2333 8.2333 8.6266 8.6266 11.5399 11.5399 12.3809 12.3809 14.1325 14.1325 16.9183 16.9183 17.3919 17.3919 18.9559 18.9559 20.8289 20.8289 k = 0.5660 0.0982 0.3119 ( 1328 PWs) bands (ev): -1.2226 -1.2226 1.0817 1.0817 5.1584 5.1584 8.1669 8.1669 8.5683 8.5683 11.5993 11.5993 12.5043 12.5043 14.0441 14.0441 17.0643 17.0643 17.3671 17.3671 19.0176 19.0176 20.8881 20.8881 k = 0.5694 0.0882 0.3175 ( 1326 PWs) bands (ev): -1.1806 -1.1806 1.0672 1.0672 5.0956 5.0956 8.1021 8.1021 8.5110 8.5110 11.6522 11.6522 12.6278 12.6278 13.9633 13.9633 17.2029 17.2029 17.3450 17.3450 19.0885 19.0885 20.9480 20.9480 k = 0.5729 0.0782 0.3232 ( 1327 PWs) bands (ev): -1.1367 -1.1367 1.0500 1.0500 5.0364 5.0364 8.0392 8.0392 8.4550 8.4550 11.6966 11.6966 12.7511 12.7511 13.8920 13.8920 17.3236 17.3236 17.3330 17.3330 19.1723 19.1723 21.0070 21.0070 k = 0.5764 0.0682 0.3289 ( 1327 PWs) bands (ev): -1.0911 -1.0911 1.0299 1.0299 4.9811 4.9811 7.9782 7.9782 8.4006 8.4006 11.7305 11.7305 12.8738 12.8738 13.8322 13.8322 17.3097 17.3097 17.4455 17.4455 19.2721 19.2721 21.0632 21.0632 k = 0.5799 0.0581 0.3345 ( 1329 PWs) bands (ev): -1.0439 -1.0439 1.0067 1.0067 4.9303 4.9303 7.9192 7.9192 8.3480 8.3480 11.7518 11.7518 12.9957 12.9957 13.7858 13.7858 17.2976 17.2976 17.5447 17.5447 19.3905 19.3905 21.1150 21.1150 k = 0.5833 0.0481 0.3402 ( 1328 PWs) bands (ev): -0.9951 -0.9951 0.9803 0.9803 4.8844 4.8844 7.8622 7.8622 8.2973 8.2973 11.7591 11.7591 13.1162 13.1162 13.7542 13.7542 17.2895 17.2895 17.6279 17.6279 19.5284 19.5284 21.1611 21.1611 k = 0.5868 0.0381 0.3459 ( 1328 PWs) bands (ev): -0.9449 -0.9449 0.9506 0.9506 4.8438 4.8438 7.8073 7.8073 8.2488 8.2488 11.7514 11.7514 13.2351 13.2351 13.7381 13.7381 17.2857 17.2857 17.6957 17.6957 19.6856 19.6856 21.2001 21.2001 k = 0.5903 0.0281 0.3515 ( 1327 PWs) bands (ev): -0.8935 -0.8935 0.9176 0.9176 4.8088 4.8088 7.7545 7.7545 8.2027 8.2027 11.7285 11.7285 13.3519 13.3519 13.7375 13.7375 17.2866 17.2866 17.7497 17.7497 19.8608 19.8608 21.2310 21.2310 k = 0.5938 0.0180 0.3572 ( 1327 PWs) bands (ev): -0.8410 -0.8410 0.8815 0.8815 4.7797 4.7797 7.7038 7.7038 8.1590 8.1590 11.6910 11.6910 13.4663 13.4663 13.7514 13.7514 17.2925 17.2925 17.7920 17.7920 20.0519 20.0519 21.2531 21.2531 k = 0.5972 0.0080 0.3629 ( 1325 PWs) bands (ev): -0.7876 -0.7876 0.8423 0.8423 4.7567 4.7567 7.6553 7.6553 8.1178 8.1178 11.6403 11.6403 13.5778 13.5778 13.7785 13.7785 17.3037 17.3037 17.8249 17.8249 20.2563 20.2563 21.2662 21.2662 k = 0.6007-0.0020 0.3686 ( 1321 PWs) bands (ev): -0.7339 -0.7339 0.8005 0.8005 4.7399 4.7399 7.6091 7.6091 8.0794 8.0794 11.5780 11.5780 13.6860 13.6860 13.8167 13.8167 17.3205 17.3205 17.8507 17.8507 20.4714 20.4714 21.2706 21.2706 k = 0.6042-0.0120 0.3742 ( 1323 PWs) bands (ev): -0.6801 -0.6801 0.7565 0.7565 4.7294 4.7294 7.5650 7.5650 8.0437 8.0437 11.5060 11.5060 13.7903 13.7903 13.8641 13.8641 17.3431 17.3431 17.8711 17.8711 20.6931 20.6931 21.2680 21.2680 k = 0.6076-0.0221 0.3799 ( 1321 PWs) bands (ev): -0.6268 -0.6268 0.7109 0.7109 4.7252 4.7252 7.5233 7.5233 8.0109 8.0109 11.4262 11.4262 13.8894 13.8894 13.9196 13.9196 17.3717 17.3717 17.8877 17.8877 20.9124 20.9124 21.2659 21.2659 k = 0.6111-0.0321 0.3856 ( 1323 PWs) bands (ev): -0.5749 -0.5749 0.6646 0.6646 4.7272 4.7272 7.4838 7.4838 7.9810 7.9810 11.3401 11.3401 13.9712 13.9712 13.9932 13.9932 17.4064 17.4064 17.9017 17.9017 21.0842 21.0842 21.3077 21.3077 k = 0.6146-0.0421 0.3912 ( 1325 PWs) bands (ev): -0.5254 -0.5254 0.6189 0.6189 4.7354 4.7354 7.4466 7.4466 7.9541 7.9541 11.2491 11.2491 14.0359 14.0359 14.0826 14.0826 17.4473 17.4473 17.9140 17.9140 21.1199 21.1199 21.4108 21.4108 k = 0.6181-0.0521 0.3969 ( 1321 PWs) bands (ev): -0.4797 -0.4797 0.5754 0.5754 4.7496 4.7496 7.4118 7.4118 7.9302 7.9302 11.1544 11.1544 14.1004 14.1004 14.1692 14.1692 17.4942 17.4942 17.9252 17.9252 21.0910 21.0910 21.3484 21.3484 k = 0.6215-0.0621 0.4026 ( 1327 PWs) bands (ev): -0.4398 -0.4398 0.5363 0.5363 4.7696 4.7696 7.3792 7.3792 7.9095 7.9095 11.0571 11.0571 14.1652 14.1652 14.2513 14.2513 17.5469 17.5469 17.9355 17.9355 21.0430 21.0430 21.2805 21.2805 k = 0.6250-0.0722 0.4082 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.6250-0.0722 0.4082 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.6190-0.0687 0.4180 ( 1331 PWs) bands (ev): -0.4070 -0.4070 0.5034 0.5034 4.7964 4.7964 7.3088 7.3088 7.9347 7.9347 10.9576 10.9576 14.2238 14.2238 14.3227 14.3227 17.6105 17.6105 17.9530 17.9530 20.9840 20.9840 21.2037 21.2037 k = 0.6131-0.0653 0.4277 ( 1327 PWs) bands (ev): -0.4035 -0.4035 0.5013 0.5013 4.7999 4.7999 7.2125 7.2125 8.0387 8.0387 10.9566 10.9566 14.2066 14.2066 14.3052 14.3052 17.6266 17.6266 17.9764 17.9764 20.9825 20.9825 21.1905 21.1905 k = 0.6071-0.0619 0.4374 ( 1321 PWs) bands (ev): -0.3978 -0.3978 0.4976 0.4976 4.8057 4.8057 7.0924 7.0924 8.1715 8.1715 10.9548 10.9548 14.1785 14.1785 14.2768 14.2768 17.6528 17.6528 18.0145 18.0145 20.9798 20.9798 21.1689 21.1689 k = 0.6012-0.0584 0.4471 ( 1321 PWs) bands (ev): -0.3898 -0.3898 0.4925 0.4925 4.8138 4.8138 6.9636 6.9636 8.3179 8.3179 10.9522 10.9522 14.1403 14.1403 14.2385 14.2385 17.6886 17.6886 18.0662 18.0662 20.9760 20.9760 21.1394 21.1394 k = 0.5952-0.0550 0.4568 ( 1321 PWs) bands (ev): -0.3795 -0.3795 0.4858 0.4858 4.8242 4.8242 6.8326 6.8326 8.4714 8.4714 10.9488 10.9488 14.0931 14.0931 14.1914 14.1914 17.7328 17.7328 18.1300 18.1300 20.9707 20.9707 21.1028 21.1028 k = 0.5893-0.0515 0.4666 ( 1326 PWs) bands (ev): -0.3670 -0.3670 0.4774 0.4774 4.8370 4.8370 6.7023 6.7023 8.6290 8.6290 10.9442 10.9442 14.0380 14.0380 14.1369 14.1369 17.7846 17.7846 18.2040 18.2040 20.9639 20.9639 21.0600 21.0600 k = 0.5833-0.0481 0.4763 ( 1326 PWs) bands (ev): -0.3522 -0.3522 0.4674 0.4674 4.8521 4.8521 6.5741 6.5741 8.7889 8.7889 10.9385 10.9385 13.9763 13.9763 14.0766 14.0766 17.8426 17.8426 18.2863 18.2863 20.9555 20.9555 21.0121 21.0121 k = 0.5774-0.0447 0.4860 ( 1326 PWs) bands (ev): -0.3351 -0.3351 0.4556 0.4556 4.8694 4.8694 6.4491 6.4491 8.9499 8.9499 10.9314 10.9314 13.9094 13.9094 14.0118 14.0118 17.9059 17.9059 18.3746 18.3746 20.9453 20.9453 20.9605 20.9605 k = 0.5714-0.0412 0.4957 ( 1330 PWs) bands (ev): -0.3157 -0.3157 0.4418 0.4418 4.8891 4.8891 6.3280 6.3280 9.1110 9.1110 10.9227 10.9227 13.8387 13.8387 13.9441 13.9441 17.9733 17.9733 18.4665 18.4665 20.9065 20.9065 20.9335 20.9335 k = 0.5655-0.0378 0.5055 ( 1330 PWs) bands (ev): -0.2941 -0.2941 0.4260 0.4260 4.9111 4.9111 6.2112 6.2112 9.2713 9.2713 10.9121 10.9121 13.7656 13.7656 13.8747 13.8747 18.0438 18.0438 18.5594 18.5594 20.8523 20.8523 20.9198 20.9198 k = 0.5595-0.0344 0.5152 ( 1330 PWs) bands (ev): -0.2703 -0.2703 0.4081 0.4081 4.9353 4.9353 6.0991 6.0991 9.4297 9.4297 10.8995 10.8995 13.6916 13.6916 13.8048 13.8048 18.1166 18.1166 18.6505 18.6505 20.7996 20.7996 20.9045 20.9045 k = 0.5536-0.0309 0.5249 ( 1338 PWs) bands (ev): -0.2443 -0.2443 0.3880 0.3880 4.9618 4.9618 5.9921 5.9921 9.5853 9.5853 10.8845 10.8845 13.6182 13.6182 13.7357 13.7357 18.1907 18.1907 18.7364 18.7364 20.7507 20.7507 20.8876 20.8876 k = 0.5476-0.0275 0.5346 ( 1338 PWs) bands (ev): -0.2160 -0.2160 0.3654 0.3654 4.9905 4.9905 5.8906 5.8906 9.7369 9.7369 10.8668 10.8668 13.5469 13.5469 13.6684 13.6684 18.2655 18.2655 18.8138 18.8138 20.7081 20.7081 20.8695 20.8695 k = 0.5417-0.0241 0.5443 ( 1334 PWs) bands (ev): -0.1856 -0.1856 0.3404 0.3404 5.0215 5.0215 5.7947 5.7947 9.8831 9.8831 10.8463 10.8463 13.4795 13.4795 13.6039 13.6039 18.3405 18.3405 18.8790 18.8790 20.6741 20.6741 20.8502 20.8502 k = 0.5357-0.0206 0.5541 ( 1336 PWs) bands (ev): -0.1530 -0.1530 0.3128 0.3128 5.0548 5.0548 5.7047 5.7047 10.0224 10.0224 10.8225 10.8225 13.4178 13.4178 13.5429 13.5429 18.4149 18.4149 18.9286 18.9286 20.6510 20.6510 20.8301 20.8301 k = 0.5298-0.0172 0.5638 ( 1334 PWs) bands (ev): -0.1182 -0.1182 0.2825 0.2825 5.0902 5.0902 5.6209 5.6209 10.1530 10.1530 10.7954 10.7954 13.3638 13.3638 13.4863 13.4863 18.4885 18.4885 18.9598 18.9598 20.6400 20.6400 20.8095 20.8095 k = 0.5238-0.0137 0.5735 ( 1334 PWs) bands (ev): -0.0812 -0.0812 0.2493 0.2493 5.1278 5.1278 5.5435 5.5435 10.2729 10.2729 10.7647 10.7647 13.3195 13.3195 13.4347 13.4347 18.5608 18.5608 18.9710 18.9710 20.6409 20.6409 20.7888 20.7888 k = 0.5179-0.0103 0.5832 ( 1334 PWs) bands (ev): -0.0422 -0.0422 0.2133 0.2133 5.1676 5.1676 5.4726 5.4726 10.3799 10.3799 10.7303 10.7303 13.2872 13.2872 13.3887 13.3887 18.6315 18.6315 18.9621 18.9621 20.6520 20.6520 20.7682 20.7682 k = 0.5119-0.0069 0.5929 ( 1336 PWs) bands (ev): -0.0010 -0.0010 0.1744 0.1744 5.2095 5.2095 5.4084 5.4084 10.4720 10.4720 10.6921 10.6921 13.2688 13.2688 13.3488 13.3488 18.7004 18.7004 18.9346 18.9346 20.6701 20.6701 20.7481 20.7481 k = 0.5060-0.0034 0.6027 ( 1336 PWs) bands (ev): 0.0422 0.0422 0.1325 0.1325 5.2535 5.2535 5.3510 5.3510 10.5472 10.5472 10.6503 10.6503 13.2657 13.2657 13.3160 13.3160 18.7673 18.7673 18.8906 18.8906 20.6910 20.6910 20.7288 20.7288 k = 0.5000 0.0000 0.6124 ( 1348 PWs) bands (ev): 0.0851 0.0851 0.0901 0.0901 5.2945 5.2945 5.3055 5.3055 10.5993 10.5993 10.6094 10.6094 13.2721 13.2721 13.2973 13.2973 18.8266 18.8266 18.8384 18.8384 20.7093 20.7093 20.7119 20.7119 k = 0.5000 0.0000 0.6124 ( 1348 PWs) bands (ev): 0.0851 0.0851 0.0901 0.0901 5.2945 5.2945 5.3055 5.3055 10.5993 10.5993 10.6094 10.6094 13.2721 13.2721 13.2973 13.2973 18.8266 18.8266 18.8384 18.8384 20.7093 20.7093 20.7119 20.7119 k = 0.5000 0.0070 0.6024 ( 1338 PWs) bands (ev): 0.0203 0.0203 0.1546 0.1546 5.2336 5.2336 5.3709 5.3709 10.5352 10.5352 10.6729 10.6729 13.2474 13.2474 13.3230 13.3230 18.7338 18.7338 18.9183 18.9183 20.6885 20.6885 20.7398 20.7398 k = 0.5000 0.0141 0.5925 ( 1334 PWs) bands (ev): -0.0472 -0.0472 0.2208 0.2208 5.1723 5.1723 5.4458 5.4458 10.4661 10.4661 10.7401 10.7401 13.2152 13.2152 13.3582 13.3582 18.6253 18.6253 18.9886 18.9886 20.6720 20.6720 20.7775 20.7775 k = 0.5000 0.0211 0.5825 ( 1334 PWs) bands (ev): -0.1147 -0.1147 0.2861 0.2861 5.1159 5.1159 5.5250 5.5250 10.3971 10.3971 10.8057 10.8057 13.1852 13.1852 13.3932 13.3932 18.5091 18.5091 19.0417 19.0417 20.6594 20.6594 20.8246 20.8246 k = 0.5000 0.0282 0.5725 ( 1332 PWs) bands (ev): -0.1820 -0.1820 0.3504 0.3504 5.0647 5.0647 5.6081 5.6081 10.3285 10.3285 10.8692 10.8692 13.1586 13.1586 13.4267 13.4267 18.3880 18.3880 19.0764 19.0764 20.6494 20.6494 20.8812 20.8812 k = 0.5000 0.0352 0.5626 ( 1332 PWs) bands (ev): -0.2489 -0.2489 0.4133 0.4133 5.0188 5.0188 5.6950 5.6950 10.2606 10.2606 10.9297 10.9297 13.1367 13.1367 13.4575 13.4575 18.2644 18.2644 19.0924 19.0924 20.6408 20.6408 20.9463 20.9463 k = 0.5000 0.0422 0.5526 ( 1334 PWs) bands (ev): -0.3154 -0.3154 0.4745 0.4745 4.9786 4.9786 5.7856 5.7856 10.1937 10.1937 10.9867 10.9867 13.1203 13.1203 13.4845 13.4845 18.1405 18.1405 19.0898 19.0898 20.6327 20.6327 21.0182 21.0182 k = 0.5000 0.0493 0.5427 ( 1332 PWs) bands (ev): -0.3811 -0.3811 0.5339 0.5339 4.9441 4.9441 5.8796 5.8796 10.1280 10.1280 11.0394 11.0394 13.1104 13.1104 13.5068 13.5068 18.0183 18.0183 19.0695 19.0695 20.6246 20.6246 21.0934 21.0934 k = 0.5000 0.0563 0.5327 ( 1328 PWs) bands (ev): -0.4460 -0.4460 0.5912 0.5912 4.9156 4.9156 5.9768 5.9768 10.0636 10.0636 11.0871 11.0871 13.1079 13.1079 13.5230 13.5230 17.8999 17.8999 19.0324 19.0324 20.6160 20.6160 21.1640 21.1640 k = 0.5000 0.0634 0.5228 ( 1328 PWs) bands (ev): -0.5100 -0.5100 0.6461 0.6461 4.8933 4.8933 6.0772 6.0772 10.0007 10.0007 11.1290 11.1290 13.1136 13.1136 13.5322 13.5322 17.7870 17.7870 18.9795 18.9795 20.6067 20.6067 21.1712 21.1712 k = 0.5000 0.0704 0.5128 ( 1328 PWs) bands (ev): -0.5729 -0.5729 0.6983 0.6983 4.8774 4.8774 6.1805 6.1805 9.9395 9.9395 11.1648 11.1648 13.1281 13.1281 13.5332 13.5332 17.6813 17.6813 18.9117 18.9117 20.5966 20.5966 21.0185 21.0185 k = 0.5000 0.0774 0.5028 ( 1328 PWs) bands (ev): -0.6346 -0.6346 0.7477 0.7477 4.8679 4.8679 6.2866 6.2866 9.8801 9.8801 11.1939 11.1939 13.1520 13.1520 13.5248 13.5248 17.5843 17.5843 18.8293 18.8293 20.5857 20.5857 20.8359 20.8359 k = 0.5000 0.0845 0.4929 ( 1328 PWs) bands (ev): -0.6950 -0.6950 0.7942 0.7942 4.8649 4.8649 6.3953 6.3953 9.8226 9.8226 11.2161 11.2161 13.1853 13.1853 13.5063 13.5063 17.4974 17.4974 18.7331 18.7331 20.5739 20.5739 20.6566 20.6566 k = 0.5000 0.0915 0.4829 ( 1324 PWs) bands (ev): -0.7540 -0.7540 0.8375 0.8375 4.8685 4.8685 6.5065 6.5065 9.7671 9.7671 11.2317 11.2317 13.2282 13.2282 13.4767 13.4767 17.4216 17.4216 18.6233 18.6233 20.4841 20.4841 20.5627 20.5627 k = 0.5000 0.0986 0.4730 ( 1324 PWs) bands (ev): -0.8116 -0.8116 0.8775 0.8775 4.8788 4.8788 6.6200 6.6200 9.7138 9.7138 11.2407 11.2407 13.2800 13.2800 13.4359 13.4359 17.3578 17.3578 18.5006 18.5006 20.3223 20.3223 20.5502 20.5502 k = 0.5000 0.1056 0.4630 ( 1330 PWs) bands (ev): -0.8677 -0.8677 0.9141 0.9141 4.8955 4.8955 6.7357 6.7357 9.6627 9.6627 11.2437 11.2437 13.3377 13.3377 13.3861 13.3861 17.3063 17.3063 18.3659 18.3659 20.1705 20.1705 20.5378 20.5378 k = 0.5000 0.1127 0.4531 ( 1328 PWs) bands (ev): -0.9221 -0.9221 0.9474 0.9474 4.9186 4.9186 6.8533 6.8533 9.6140 9.6140 11.2412 11.2412 13.3139 13.3139 13.4142 13.4142 17.2674 17.2674 18.2202 18.2202 20.0290 20.0290 20.5257 20.5257 k = 0.5000 0.1197 0.4431 ( 1326 PWs) bands (ev): -0.9748 -0.9748 0.9773 0.9773 4.9479 4.9479 6.9726 6.9726 9.5677 9.5677 11.2339 11.2339 13.2385 13.2385 13.4899 13.4899 17.2407 17.2407 18.0651 18.0651 19.8971 19.8971 20.5140 20.5140 k = 0.5000 0.1267 0.4331 ( 1326 PWs) bands (ev): -1.0258 -1.0258 1.0040 1.0040 4.9833 4.9833 7.0935 7.0935 9.5239 9.5239 11.2224 11.2224 13.1513 13.1513 13.5732 13.5732 17.2256 17.2256 17.9021 17.9021 19.7739 19.7739 20.5030 20.5030 k = 0.5000 0.1338 0.4232 ( 1324 PWs) bands (ev): -1.0749 -1.0749 1.0274 1.0274 5.0242 5.0242 7.2158 7.2158 9.4829 9.4829 11.2074 11.2074 13.0538 13.0538 13.6627 13.6627 17.2215 17.2215 17.7331 17.7331 19.6585 19.6585 20.4930 20.4930 k = 0.5000 0.1408 0.4132 ( 1324 PWs) bands (ev): -1.1222 -1.1222 1.0478 1.0478 5.0705 5.0705 7.3392 7.3392 9.4445 9.4445 11.1895 11.1895 12.9473 12.9473 13.7574 13.7574 17.2273 17.2273 17.5598 17.5598 19.5494 19.5494 20.4841 20.4841 k = 0.5000 0.1479 0.4033 ( 1324 PWs) bands (ev): -1.1676 -1.1676 1.0653 1.0653 5.1216 5.1216 7.4635 7.4635 9.4091 9.4091 11.1693 11.1693 12.8330 12.8330 13.8565 13.8565 17.2417 17.2417 17.3841 17.3841 19.4456 19.4456 20.4765 20.4765 k = 0.5000 0.1549 0.3933 ( 1328 PWs) bands (ev): -1.2110 -1.2110 1.0800 1.0800 5.1771 5.1771 7.5883 7.5883 9.3766 9.3766 11.1473 11.1473 12.7119 12.7119 13.9591 13.9591 17.2068 17.2068 17.2643 17.2643 19.3459 19.3459 20.4705 20.4705 k = 0.5000 0.1619 0.3834 ( 1330 PWs) bands (ev): -1.2524 -1.2524 1.0923 1.0923 5.2364 5.2364 7.7134 7.7134 9.3472 9.3472 11.1238 11.1238 12.5855 12.5855 14.0644 14.0644 17.0313 17.0313 17.2924 17.2924 19.2494 19.2494 20.4662 20.4662 k = 0.5000 0.1690 0.3734 ( 1336 PWs) bands (ev): -1.2918 -1.2918 1.1024 1.1024 5.2990 5.2990 7.8385 7.8385 9.3211 9.3211 11.0992 11.0992 12.4549 12.4549 14.1715 14.1715 16.8580 16.8580 17.3259 17.3259 19.1549 19.1549 20.4637 20.4637 k = 0.5000 0.1760 0.3634 ( 1330 PWs) bands (ev): -1.3290 -1.3290 1.1104 1.1104 5.3642 5.3642 7.9632 7.9632 9.2983 9.2983 11.0739 11.0739 12.3213 12.3213 14.2793 14.2793 16.6888 16.6888 17.3633 17.3633 19.0619 19.0619 20.4632 20.4632 k = 0.5000 0.1831 0.3535 ( 1330 PWs) bands (ev): -1.3642 -1.3642 1.1166 1.1166 5.4313 5.4313 8.0870 8.0870 9.2789 9.2789 11.0481 11.0481 12.1858 12.1858 14.3865 14.3865 16.5254 16.5254 17.4037 17.4037 18.9696 18.9696 20.4646 20.4646 k = 0.5000 0.1901 0.3435 ( 1328 PWs) bands (ev): -1.3972 -1.3972 1.1213 1.1213 5.4998 5.4998 8.2095 8.2095 9.2631 9.2631 11.0220 11.0220 12.0495 12.0495 14.4916 14.4916 16.3701 16.3701 17.4459 17.4459 18.8776 18.8776 20.4681 20.4681 k = 0.5000 0.1971 0.3336 ( 1332 PWs) bands (ev): -1.4281 -1.4281 1.1246 1.1246 5.5687 5.5687 8.3301 8.3301 9.2509 9.2509 10.9958 10.9958 11.9136 11.9136 14.5923 14.5923 16.2255 16.2255 17.4890 17.4890 18.7853 18.7853 20.4736 20.4736 k = 0.5000 0.2042 0.3236 ( 1332 PWs) bands (ev): -1.4568 -1.4568 1.1268 1.1268 5.6373 5.6373 8.4482 8.4482 9.2425 9.2425 10.9696 10.9696 11.7791 11.7791 14.6855 14.6855 16.0951 16.0951 17.5321 17.5321 18.6926 18.6926 20.4809 20.4809 k = 0.5000 0.2112 0.3137 ( 1340 PWs) bands (ev): -1.4832 -1.4832 1.1281 1.1281 5.7048 5.7048 8.5632 8.5632 9.2378 9.2378 10.9436 10.9436 11.6471 11.6471 14.7668 14.7668 15.9835 15.9835 17.5744 17.5744 18.5995 18.5995 20.4899 20.4899 k = 0.5000 0.2183 0.3037 ( 1340 PWs) bands (ev): -1.5074 -1.5074 1.1286 1.1286 5.7704 5.7704 8.6742 8.6742 9.2368 9.2368 10.9179 10.9179 11.5187 11.5187 14.8304 14.8304 15.8968 15.8968 17.6153 17.6153 18.5061 18.5061 20.5004 20.5004 k = 0.5000 0.2253 0.2937 ( 1340 PWs) bands (ev): -1.5294 -1.5294 1.1286 1.1286 5.8332 5.8332 8.7804 8.7804 9.2394 9.2394 10.8927 10.8927 11.3952 11.3952 14.8699 14.8699 15.8415 15.8415 17.6540 17.6540 18.4128 18.4128 20.5120 20.5120 k = 0.5000 0.2323 0.2838 ( 1346 PWs) bands (ev): -1.5491 -1.5491 1.1282 1.1282 5.8924 5.8924 8.8807 8.8807 9.2454 9.2454 10.8682 10.8682 11.2777 11.2777 14.8815 14.8815 15.8214 15.8214 17.6900 17.6900 18.3204 18.3204 20.5244 20.5244 k = 0.5000 0.2394 0.2738 ( 1346 PWs) bands (ev): -1.5665 -1.5665 1.1275 1.1275 5.9470 5.9470 8.9741 8.9741 9.2543 9.2543 10.8446 10.8446 11.1678 11.1678 14.8672 14.8672 15.8340 15.8340 17.7228 17.7228 18.2299 18.2299 20.5371 20.5371 k = 0.5000 0.2464 0.2639 ( 1346 PWs) bands (ev): -1.5816 -1.5816 1.1267 1.1267 5.9964 5.9964 9.0592 9.0592 9.2656 9.2656 10.8223 10.8223 11.0669 11.0669 14.8347 14.8347 15.8710 15.8710 17.7520 17.7520 18.1429 18.1429 20.5495 20.5495 k = 0.5000 0.2535 0.2539 ( 1344 PWs) bands (ev): -1.5944 -1.5944 1.1258 1.1258 6.0397 6.0397 9.1348 9.1348 9.2785 9.2785 10.8017 10.8017 10.9768 10.9768 14.7934 14.7934 15.9219 15.9219 17.7773 17.7773 18.0614 18.0614 20.5613 20.5613 k = 0.5000 0.2605 0.2440 ( 1338 PWs) bands (ev): -1.6049 -1.6049 1.1249 1.1249 6.0761 6.0761 9.1992 9.1992 9.2919 9.2919 10.7831 10.7831 10.8996 10.8996 14.7513 14.7513 15.9773 15.9773 17.7983 17.7983 17.9878 17.9878 20.5717 20.5717 k = 0.5000 0.2676 0.2340 ( 1342 PWs) bands (ev): -1.6131 -1.6131 1.1242 1.1242 6.1052 6.1052 9.2509 9.2509 9.3047 9.3047 10.7669 10.7669 10.8374 10.8374 14.7139 14.7139 16.0292 16.0292 17.8148 17.8148 17.9254 17.9254 20.5802 20.5802 k = 0.5000 0.2746 0.2240 ( 1348 PWs) bands (ev): -1.6189 -1.6189 1.1236 1.1236 6.1263 6.1263 9.2880 9.2880 9.3163 9.3163 10.7528 10.7528 10.7931 10.7931 14.6849 14.6849 16.0713 16.0713 17.8268 17.8268 17.8773 17.8773 20.5861 20.5861 k = 0.5000 0.2816 0.2141 ( 1350 PWs) bands (ev): -1.6224 -1.6224 1.1233 1.1233 6.1392 6.1392 9.3083 9.3083 9.3263 9.3263 10.7405 10.7405 10.7694 10.7694 14.6666 14.6666 16.0988 16.0988 17.8340 17.8340 17.8469 17.8469 20.5881 20.5881 k = 0.5000 0.2887 0.2041 ( 1350 PWs) bands (ev): -1.6236 -1.6236 1.1231 1.1231 6.1435 6.1435 9.3139 9.3139 9.3310 9.3310 10.7348 10.7348 10.7628 10.7628 14.6604 14.6604 16.1084 16.1084 17.8357 17.8357 17.8372 17.8372 20.5874 20.5874 k = 0.5000 0.2887 0.2041 ( 1350 PWs) bands (ev): -1.6236 -1.6236 1.1231 1.1231 6.1435 6.1435 9.3139 9.3139 9.3310 9.3310 10.7348 10.7348 10.7628 10.7628 14.6604 14.6604 16.1084 16.1084 17.8357 17.8357 17.8372 17.8372 20.5874 20.5874 k = 0.4965 0.2867 0.2155 ( 1350 PWs) bands (ev): -1.6224 -1.6224 1.1233 1.1233 6.1393 6.1393 9.3085 9.3085 9.3264 9.3264 10.7404 10.7404 10.7692 10.7692 14.6665 14.6665 16.0991 16.0991 17.8340 17.8340 17.8466 17.8466 20.5881 20.5881 k = 0.4931 0.2847 0.2268 ( 1348 PWs) bands (ev): -1.6190 -1.6190 1.1236 1.1236 6.1268 6.1268 9.2892 9.2892 9.3162 9.3162 10.7526 10.7526 10.7920 10.7920 14.6842 14.6842 16.0723 16.0723 17.8271 17.8271 17.8762 17.8762 20.5863 20.5863 k = 0.4896 0.2827 0.2381 ( 1342 PWs) bands (ev): -1.6133 -1.6133 1.1242 1.1242 6.1062 6.1062 9.2549 9.2549 9.3030 9.3030 10.7677 10.7677 10.8339 10.8339 14.7125 14.7125 16.0311 16.0311 17.8157 17.8157 17.9228 17.9228 20.5809 20.5809 k = 0.4861 0.2807 0.2495 ( 1340 PWs) bands (ev): -1.6054 -1.6054 1.1249 1.1249 6.0779 6.0779 9.2087 9.2087 9.2856 9.2856 10.7866 10.7866 10.8919 10.8919 14.7491 14.7491 15.9802 15.9802 17.8001 17.8001 17.9833 17.9833 20.5734 20.5734 k = 0.4826 0.2787 0.2608 ( 1338 PWs) bands (ev): -1.5952 -1.5952 1.1257 1.1257 6.0423 6.0423 9.1536 9.1536 9.2634 9.2634 10.8107 10.8107 10.9627 10.9627 14.7905 14.7905 15.9256 15.9256 17.7806 17.7806 18.0540 18.0540 20.5649 20.5649 k = 0.4792 0.2766 0.2722 ( 1341 PWs) bands (ev): -1.5827 -1.5827 1.1266 1.1266 6.0001 6.0001 9.0918 9.0918 9.2361 9.2361 10.8405 10.8405 11.0437 11.0437 14.8316 14.8316 15.8746 15.8746 17.7578 17.7578 18.1317 18.1317 20.5565 20.5565 k = 0.4757 0.2746 0.2835 ( 1345 PWs) bands (ev): -1.5680 -1.5680 1.1274 1.1274 5.9517 5.9517 9.0252 9.0252 9.2036 9.2036 10.8765 10.8765 11.1331 11.1331 14.8650 14.8650 15.8361 15.8361 17.7320 17.7320 18.2134 18.2134 20.5494 20.5494 k = 0.4722 0.2726 0.2948 ( 1337 PWs) bands (ev): -1.5511 -1.5511 1.1281 1.1281 5.8980 5.8980 8.9552 8.9552 9.1661 9.1661 10.9184 10.9184 11.2293 11.2293 14.8817 14.8817 15.8202 15.8202 17.7038 17.7038 18.2966 18.2966 20.5448 20.5448 k = 0.4688 0.2706 0.3062 ( 1337 PWs) bands (ev): -1.5319 -1.5319 1.1286 1.1286 5.8396 5.8396 8.8830 8.8830 9.1239 9.1239 10.9662 10.9662 11.3310 11.3310 14.8740 14.8740 15.8351 15.8351 17.6736 17.6736 18.3791 18.3791 20.5440 20.5440 k = 0.4653 0.2686 0.3175 ( 1337 PWs) bands (ev): -1.5106 -1.5106 1.1286 1.1286 5.7772 5.7772 8.8095 8.8095 9.0776 9.0776 11.0194 11.0194 11.4373 11.4373 14.8393 14.8393 15.8839 15.8839 17.6420 17.6420 18.4591 18.4591 20.5481 20.5481 k = 0.4618 0.2666 0.3289 ( 1340 PWs) bands (ev): -1.4870 -1.4870 1.1281 1.1281 5.7117 5.7117 8.7353 8.7353 9.0276 9.0276 11.0774 11.0774 11.5474 11.5474 14.7807 14.7807 15.9634 15.9634 17.6094 17.6094 18.5353 18.5353 20.5584 20.5584 k = 0.4583 0.2646 0.3402 ( 1338 PWs) bands (ev): -1.4613 -1.4613 1.1270 1.1270 5.6437 5.6437 8.6611 8.6611 8.9746 8.9746 11.1395 11.1395 11.6606 11.6606 14.7044 14.7044 16.0673 16.0673 17.5764 17.5764 18.6067 18.6067 20.5756 20.5756 k = 0.4549 0.2626 0.3515 ( 1338 PWs) bands (ev): -1.4334 -1.4334 1.1249 1.1249 5.5740 5.5740 8.5873 8.5873 8.9192 8.9192 11.2047 11.2047 11.7765 11.7765 14.6165 14.6165 16.1894 16.1894 17.5433 17.5433 18.6730 18.6730 20.6005 20.6005 k = 0.4514 0.2606 0.3629 ( 1336 PWs) bands (ev): -1.4034 -1.4034 1.1217 1.1217 5.5032 5.5032 8.5142 8.5142 8.8621 8.8621 11.2721 11.2721 11.8945 11.8945 14.5215 14.5215 16.3243 16.3243 17.5106 17.5106 18.7343 18.7343 20.6331 20.6331 k = 0.4479 0.2586 0.3742 ( 1332 PWs) bands (ev): -1.3713 -1.3713 1.1173 1.1173 5.4322 5.4322 8.4420 8.4420 8.8037 8.8037 11.3406 11.3406 12.0143 12.0143 14.4231 14.4231 16.4680 16.4680 17.4787 17.4787 18.7914 18.7914 20.6731 20.6731 k = 0.4444 0.2566 0.3856 ( 1328 PWs) bands (ev): -1.3371 -1.3371 1.1113 1.1113 5.3615 5.3615 8.3710 8.3710 8.7447 8.7447 11.4089 11.4089 12.1356 12.1356 14.3240 14.3240 16.6170 16.6170 17.4481 17.4481 18.8458 18.8458 20.7199 20.7199 k = 0.4410 0.2546 0.3969 ( 1330 PWs) bands (ev): -1.3009 -1.3009 1.1035 1.1035 5.2919 5.2919 8.3014 8.3014 8.6855 8.6855 11.4759 11.4759 12.2578 12.2578 14.2264 14.2264 16.7682 16.7682 17.4190 17.4190 18.8997 18.8997 20.7723 20.7723 k = 0.4375 0.2526 0.4082 ( 1334 PWs) bands (ev): -1.2627 -1.2627 1.0937 1.0937 5.2240 5.2240 8.2333 8.2333 8.6266 8.6266 11.5399 11.5399 12.3809 12.3809 14.1325 14.1325 16.9183 16.9183 17.3919 17.3919 18.9559 18.9559 20.8289 20.8289 k = 0.4340 0.2506 0.4196 ( 1328 PWs) bands (ev): -1.2226 -1.2226 1.0817 1.0817 5.1584 5.1584 8.1669 8.1669 8.5683 8.5683 11.5993 11.5993 12.5043 12.5043 14.0441 14.0441 17.0643 17.0643 17.3671 17.3671 19.0176 19.0176 20.8881 20.8881 k = 0.4306 0.2486 0.4309 ( 1326 PWs) bands (ev): -1.1806 -1.1806 1.0672 1.0672 5.0956 5.0956 8.1021 8.1021 8.5110 8.5110 11.6522 11.6522 12.6278 12.6278 13.9633 13.9633 17.2029 17.2029 17.3450 17.3450 19.0885 19.0885 20.9480 20.9480 k = 0.4271 0.2466 0.4423 ( 1327 PWs) bands (ev): -1.1367 -1.1367 1.0500 1.0500 5.0364 5.0364 8.0392 8.0392 8.4550 8.4550 11.6966 11.6966 12.7511 12.7511 13.8920 13.8920 17.3236 17.3236 17.3330 17.3330 19.1723 19.1723 21.0070 21.0070 k = 0.4236 0.2446 0.4536 ( 1327 PWs) bands (ev): -1.0911 -1.0911 1.0299 1.0299 4.9811 4.9811 7.9782 7.9782 8.4006 8.4006 11.7305 11.7305 12.8738 12.8738 13.8322 13.8322 17.3097 17.3097 17.4456 17.4456 19.2721 19.2721 21.0632 21.0632 k = 0.4201 0.2426 0.4649 ( 1329 PWs) bands (ev): -1.0439 -1.0439 1.0067 1.0067 4.9303 4.9303 7.9192 7.9192 8.3480 8.3480 11.7518 11.7518 12.9957 12.9957 13.7858 13.7858 17.2976 17.2976 17.5447 17.5447 19.3905 19.3905 21.1150 21.1150 k = 0.4167 0.2406 0.4763 ( 1328 PWs) bands (ev): -0.9951 -0.9951 0.9803 0.9803 4.8844 4.8844 7.8622 7.8622 8.2973 8.2973 11.7591 11.7591 13.1162 13.1162 13.7542 13.7542 17.2895 17.2895 17.6279 17.6279 19.5284 19.5284 21.1611 21.1611 k = 0.4132 0.2386 0.4876 ( 1328 PWs) bands (ev): -0.9449 -0.9449 0.9506 0.9506 4.8438 4.8438 7.8073 7.8073 8.2489 8.2489 11.7514 11.7514 13.2350 13.2350 13.7381 13.7381 17.2857 17.2857 17.6957 17.6957 19.6856 19.6856 21.2001 21.2001 k = 0.4097 0.2366 0.4990 ( 1327 PWs) bands (ev): -0.8935 -0.8935 0.9176 0.9176 4.8088 4.8088 7.7545 7.7545 8.2027 8.2027 11.7284 11.7284 13.3519 13.3519 13.7375 13.7375 17.2866 17.2866 17.7497 17.7497 19.8608 19.8608 21.2310 21.2310 k = 0.4062 0.2345 0.5103 ( 1327 PWs) bands (ev): -0.8410 -0.8410 0.8815 0.8815 4.7797 4.7797 7.7038 7.7038 8.1590 8.1590 11.6910 11.6910 13.4663 13.4663 13.7514 13.7514 17.2925 17.2925 17.7920 17.7920 20.0519 20.0519 21.2531 21.2531 k = 0.4028 0.2325 0.5217 ( 1325 PWs) bands (ev): -0.7876 -0.7876 0.8423 0.8423 4.7567 4.7567 7.6553 7.6553 8.1178 8.1178 11.6402 11.6402 13.5778 13.5778 13.7785 13.7785 17.3037 17.3037 17.8249 17.8249 20.2563 20.2563 21.2662 21.2662 k = 0.3993 0.2305 0.5330 ( 1321 PWs) bands (ev): -0.7339 -0.7339 0.8005 0.8005 4.7399 4.7399 7.6091 7.6091 8.0794 8.0794 11.5780 11.5780 13.6860 13.6860 13.8167 13.8167 17.3205 17.3205 17.8507 17.8507 20.4714 20.4714 21.2706 21.2706 k = 0.3958 0.2285 0.5443 ( 1323 PWs) bands (ev): -0.6801 -0.6801 0.7565 0.7565 4.7294 4.7294 7.5650 7.5650 8.0437 8.0437 11.5060 11.5060 13.7903 13.7903 13.8641 13.8641 17.3431 17.3431 17.8711 17.8711 20.6931 20.6931 21.2680 21.2680 k = 0.3924 0.2265 0.5557 ( 1321 PWs) bands (ev): -0.6268 -0.6268 0.7109 0.7109 4.7252 4.7252 7.5233 7.5233 8.0109 8.0109 11.4262 11.4262 13.8894 13.8894 13.9196 13.9196 17.3717 17.3717 17.8877 17.8877 20.9124 20.9124 21.2659 21.2659 k = 0.3889 0.2245 0.5670 ( 1323 PWs) bands (ev): -0.5749 -0.5749 0.6646 0.6646 4.7272 4.7272 7.4838 7.4838 7.9810 7.9810 11.3401 11.3401 13.9712 13.9712 13.9932 13.9932 17.4064 17.4064 17.9017 17.9017 21.0842 21.0842 21.3077 21.3077 k = 0.3854 0.2225 0.5784 ( 1325 PWs) bands (ev): -0.5254 -0.5254 0.6189 0.6189 4.7354 4.7354 7.4466 7.4466 7.9541 7.9541 11.2491 11.2491 14.0359 14.0359 14.0826 14.0826 17.4473 17.4473 17.9140 17.9140 21.1199 21.1199 21.4108 21.4108 k = 0.3819 0.2205 0.5897 ( 1321 PWs) bands (ev): -0.4797 -0.4797 0.5754 0.5754 4.7496 4.7496 7.4118 7.4118 7.9302 7.9302 11.1544 11.1544 14.1004 14.1004 14.1692 14.1692 17.4942 17.4942 17.9252 17.9252 21.0910 21.0910 21.3484 21.3484 k = 0.3785 0.2185 0.6010 ( 1327 PWs) bands (ev): -0.4398 -0.4398 0.5363 0.5363 4.7696 4.7696 7.3792 7.3792 7.9095 7.9095 11.0571 11.0571 14.1652 14.1652 14.2513 14.2513 17.5469 17.5469 17.9355 17.9355 21.0430 21.0430 21.2805 21.2805 k = 0.3750 0.2165 0.6124 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.6250-0.0722 0.4082 ( 1334 PWs) bands (ev): -0.4081 -0.4081 0.5041 0.5041 4.7952 4.7952 7.3490 7.3490 7.8919 7.8919 10.9579 10.9579 14.2295 14.2295 14.3286 14.3286 17.6051 17.6051 17.9452 17.9452 20.9845 20.9845 21.2082 21.2082 k = 0.6190-0.0825 0.4082 ( 1334 PWs) bands (ev): -0.3639 -0.3639 0.4578 0.4578 4.8474 4.8474 7.3005 7.3005 7.8649 7.8649 10.7852 10.7852 14.3405 14.3405 14.4572 14.4572 17.7085 17.7085 17.9621 17.9621 20.8713 20.8713 21.0803 21.0803 k = 0.6131-0.0928 0.4082 ( 1324 PWs) bands (ev): -0.3226 -0.3226 0.4136 0.4136 4.9065 4.9065 7.2542 7.2542 7.8388 7.8388 10.6099 10.6099 14.4545 14.4545 14.5868 14.5868 17.8104 17.8104 17.9810 17.9810 20.7473 20.7473 20.9512 20.9512 k = 0.6071-0.1031 0.4082 ( 1324 PWs) bands (ev): -0.2844 -0.2844 0.3715 0.3715 4.9724 4.9724 7.2103 7.2103 7.8136 7.8136 10.4324 10.4324 14.5713 14.5713 14.7170 14.7170 17.9106 17.9106 18.0013 18.0013 20.6142 20.6142 20.8212 20.8212 k = 0.6012-0.1134 0.4082 ( 1328 PWs) bands (ev): -0.2491 -0.2491 0.3316 0.3316 5.0450 5.0450 7.1687 7.1687 7.7894 7.7894 10.2532 10.2532 14.6909 14.6909 14.8476 14.8476 18.0086 18.0086 18.0228 18.0228 20.4735 20.4735 20.6903 20.6903 k = 0.5952-0.1237 0.4082 ( 1326 PWs) bands (ev): -0.2166 -0.2166 0.2939 0.2939 5.1242 5.1242 7.1294 7.1294 7.7662 7.7662 10.0728 10.0728 14.8130 14.8130 14.9785 14.9785 18.0450 18.0450 18.1042 18.1042 20.3265 20.3265 20.5588 20.5588 k = 0.5893-0.1340 0.4082 ( 1330 PWs) bands (ev): -0.1870 -0.1870 0.2584 0.2584 5.2098 5.2098 7.0925 7.0925 7.7442 7.7442 9.8915 9.8915 14.9374 14.9374 15.1094 15.1094 18.0677 18.0677 18.1970 18.1970 20.1746 20.1746 20.4269 20.4269 k = 0.5833-0.1443 0.4082 ( 1326 PWs) bands (ev): -0.1600 -0.1600 0.2251 0.2251 5.3015 5.3015 7.0579 7.0579 7.7233 7.7233 9.7099 9.7099 15.0638 15.0638 15.2399 15.2399 18.0904 18.0904 18.2867 18.2867 20.0191 20.0191 20.2951 20.2951 k = 0.5774-0.1546 0.4082 ( 1328 PWs) bands (ev): -0.1356 -0.1356 0.1940 0.1940 5.3992 5.3992 7.0257 7.0257 7.7036 7.7036 9.5282 9.5282 15.1919 15.1919 15.3695 15.3695 18.1128 18.1128 18.3727 18.3727 19.8610 19.8610 20.1638 20.1638 k = 0.5714-0.1650 0.4082 ( 1326 PWs) bands (ev): -0.1137 -0.1137 0.1652 0.1652 5.5025 5.5025 6.9959 6.9959 7.6852 7.6852 9.3470 9.3470 15.3213 15.3213 15.4979 15.4979 18.1348 18.1348 18.4547 18.4547 19.7016 19.7016 20.0335 20.0335 k = 0.5655-0.1753 0.4082 ( 1326 PWs) bands (ev): -0.0942 -0.0942 0.1387 0.1387 5.6112 5.6112 6.9684 6.9684 7.6682 7.6682 9.1665 9.1665 15.4516 15.4516 15.6244 15.6244 18.1559 18.1559 18.5324 18.5324 19.5418 19.5418 19.9048 19.9048 k = 0.5595-0.1856 0.4082 ( 1326 PWs) bands (ev): -0.0769 -0.0769 0.1144 0.1144 5.7248 5.7248 6.9433 6.9433 7.6525 7.6525 8.9872 8.9872 15.5821 15.5821 15.7483 15.7483 18.1761 18.1761 18.6051 18.6051 19.3829 19.3829 19.7786 19.7786 k = 0.5536-0.1959 0.4082 ( 1328 PWs) bands (ev): -0.0616 -0.0616 0.0924 0.0924 5.8430 5.8430 6.9206 6.9206 7.6382 7.6382 8.8096 8.8096 15.7123 15.7123 15.8688 15.8688 18.1949 18.1949 18.6726 18.6726 19.2259 19.2259 19.6558 19.6558 k = 0.5476-0.2062 0.4082 ( 1328 PWs) bands (ev): -0.0483 -0.0483 0.0727 0.0727 5.9653 5.9653 6.9002 6.9002 7.6253 7.6253 8.6342 8.6342 15.8410 15.8410 15.9847 15.9847 18.2123 18.2123 18.7344 18.7344 19.0724 19.0724 19.5375 19.5375 k = 0.5417-0.2165 0.4082 ( 1328 PWs) bands (ev): -0.0369 -0.0369 0.0553 0.0553 6.0909 6.0909 6.8823 6.8823 7.6138 7.6138 8.4617 8.4617 15.9670 15.9670 16.0946 16.0946 18.2281 18.2281 18.7898 18.7898 18.9240 18.9240 19.4253 19.4253 k = 0.5357-0.2268 0.4082 ( 1328 PWs) bands (ev): -0.0273 -0.0273 0.0402 0.0402 6.2190 6.2190 6.8667 6.8667 7.6039 7.6039 8.2930 8.2930 16.0885 16.0885 16.1971 16.1971 18.2421 18.2421 18.7808 18.7808 18.8406 18.8406 19.3207 19.3207 k = 0.5298-0.2371 0.4082 ( 1328 PWs) bands (ev): -0.0193 -0.0193 0.0274 0.0274 6.3481 6.3481 6.8535 6.8535 7.5954 7.5954 8.1295 8.1295 16.2031 16.2031 16.2900 16.2900 18.2542 18.2542 18.6496 18.6496 18.8821 18.8821 19.2258 19.2258 k = 0.5238-0.2474 0.4082 ( 1326 PWs) bands (ev): -0.0128 -0.0128 0.0170 0.0170 6.4762 6.4762 6.8428 6.8428 7.5885 7.5885 7.9733 7.9733 16.3077 16.3077 16.3712 16.3712 18.2642 18.2642 18.5307 18.5307 18.9171 18.9171 19.1429 19.1429 k = 0.5179-0.2577 0.4082 ( 1322 PWs) bands (ev): -0.0079 -0.0079 0.0088 0.0088 6.5991 6.5991 6.8344 6.8344 7.5830 7.5830 7.8286 7.8286 16.3980 16.3980 16.4381 16.4381 18.2721 18.2721 18.4291 18.4291 18.9447 18.9447 19.0746 19.0746 k = 0.5119-0.2681 0.4082 ( 1330 PWs) bands (ev): -0.0044 -0.0044 0.0030 0.0030 6.7092 6.7092 6.8284 6.8284 7.5791 7.5791 7.7029 7.7029 16.4686 16.4686 16.4883 16.4883 18.2778 18.2778 18.3503 18.3503 18.9646 18.9646 19.0234 19.0234 k = 0.5060-0.2784 0.4082 ( 1338 PWs) bands (ev): -0.0023 -0.0023 -0.0005 -0.0005 6.7915 6.7915 6.8248 6.8248 7.5768 7.5768 7.6112 7.6112 16.5141 16.5141 16.5195 16.5195 18.2812 18.2812 18.2998 18.2998 18.9766 18.9766 18.9916 18.9916 k = 0.5000-0.2887 0.4082 ( 1338 PWs) bands (ev): -0.0017 -0.0017 -0.0016 -0.0016 6.8235 6.8235 6.8235 6.8235 7.5761 7.5761 7.5761 7.5761 16.5300 16.5300 16.5300 16.5300 18.2824 18.2824 18.2824 18.2824 18.9807 18.9807 18.9807 18.9807 Writing output data file Si.save init_run : 0.09s CPU 0.20s WALL ( 1 calls) electrons : 40.96s CPU 42.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 40.95s CPU 42.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 386 calls) cegterg : 36.98s CPU 37.83s WALL ( 404 calls) Called by sum_band: Called by *egterg: h_psi : 16.98s CPU 17.47s WALL ( 6586 calls) s_psi : 1.77s CPU 1.86s WALL ( 6586 calls) g_psi : 0.06s CPU 0.05s WALL ( 5796 calls) cdiaghg : 17.89s CPU 18.08s WALL ( 6182 calls) cegterg:over : 0.97s CPU 1.09s WALL ( 5796 calls) cegterg:upda : 0.79s CPU 0.81s WALL ( 5796 calls) cegterg:last : 0.37s CPU 0.40s WALL ( 1202 calls) cdiaghg:chol : 0.78s CPU 0.91s WALL ( 6182 calls) cdiaghg:inve : 0.24s CPU 0.30s WALL ( 6182 calls) cdiaghg:para : 1.20s CPU 1.18s WALL ( 12364 calls) Called by h_psi: h_psi:vloc : 12.93s CPU 13.30s WALL ( 6586 calls) h_psi:vnl : 4.03s CPU 4.14s WALL ( 6586 calls) add_vuspsi : 2.37s CPU 2.35s WALL ( 6586 calls) General routines calbec : 1.65s CPU 1.77s WALL ( 6586 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 12.20s CPU 12.57s WALL ( 406108 calls) davcio : 0.05s CPU 0.08s WALL ( 772 calls) Parallel routines fft_scatter : 7.56s CPU 7.81s WALL ( 406123 calls) PWSCF : 0m47.31s CPU 1m 0.81s WALL This run was terminated on: 21:15:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=