Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:20 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./VNiSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 74 22 6 2514 401 66 Max 75 23 7 2516 418 69 Sum 2677 793 241 90537 14649 2421 bravais-lattice index = 14 lattice parameter (alat) = 7.7301 a.u. unit-cell volume = 326.6229 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.730137 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) V 13.00 50.94150 V( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 -0.0052486 0.0074227), wk = 0.0027322 k( 3) = ( 0.0181818 -0.0104973 0.0148454), wk = 0.0027322 k( 4) = ( 0.0272727 -0.0157459 0.0222681), wk = 0.0027322 k( 5) = ( 0.0363636 -0.0209946 0.0296908), wk = 0.0027322 k( 6) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0027322 k( 7) = ( 0.0545455 -0.0314918 0.0445362), wk = 0.0027322 k( 8) = ( 0.0636364 -0.0367405 0.0519589), wk = 0.0027322 k( 9) = ( 0.0727273 -0.0419891 0.0593816), wk = 0.0027322 k( 10) = ( 0.0818182 -0.0472377 0.0668043), wk = 0.0027322 k( 11) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0027322 k( 12) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0027322 k( 13) = ( 0.1090909 -0.0629837 0.0890724), wk = 0.0027322 k( 14) = ( 0.1181818 -0.0682323 0.0964951), wk = 0.0027322 k( 15) = ( 0.1272727 -0.0734809 0.1039177), wk = 0.0027322 k( 16) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0027322 k( 17) = ( 0.1454545 -0.0839782 0.1187631), wk = 0.0027322 k( 18) = ( 0.1545455 -0.0892269 0.1261858), wk = 0.0027322 k( 19) = ( 0.1636364 -0.0944755 0.1336085), wk = 0.0027322 k( 20) = ( 0.1727273 -0.0997241 0.1410312), wk = 0.0027322 k( 21) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0027322 k( 22) = ( 0.1909091 -0.1102214 0.1558766), wk = 0.0027322 k( 23) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0027322 k( 24) = ( 0.2090909 -0.1207187 0.1707220), wk = 0.0027322 k( 25) = ( 0.2181818 -0.1259673 0.1781447), wk = 0.0027322 k( 26) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0027322 k( 27) = ( 0.2363636 -0.1364646 0.1929901), wk = 0.0027322 k( 28) = ( 0.2454545 -0.1417133 0.2004128), wk = 0.0027322 k( 29) = ( 0.2545455 -0.1469619 0.2078355), wk = 0.0027322 k( 30) = ( 0.2636364 -0.1522105 0.2152582), wk = 0.0027322 k( 31) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0027322 k( 32) = ( 0.2818182 -0.1627078 0.2301036), wk = 0.0027322 k( 33) = ( 0.2909091 -0.1679564 0.2375263), wk = 0.0027322 k( 34) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0027322 k( 35) = ( 0.3090909 -0.1784537 0.2523717), wk = 0.0027322 k( 36) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0027322 k( 37) = ( 0.3272727 -0.1889510 0.2672171), wk = 0.0027322 k( 38) = ( 0.3363636 -0.1941996 0.2746398), wk = 0.0027322 k( 39) = ( 0.3454546 -0.1994483 0.2820625), wk = 0.0027322 k( 40) = ( 0.3545454 -0.2046969 0.2894851), wk = 0.0027322 k( 41) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0027322 k( 42) = ( 0.3727273 -0.2151942 0.3043305), wk = 0.0027322 k( 43) = ( 0.3818182 -0.2204428 0.3117532), wk = 0.0027322 k( 44) = ( 0.3909091 -0.2256915 0.3191759), wk = 0.0027322 k( 45) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0027322 k( 46) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0027322 k( 47) = ( 0.4181818 -0.2414374 0.3414440), wk = 0.0027322 k( 48) = ( 0.4272727 -0.2466860 0.3488667), wk = 0.0027322 k( 49) = ( 0.4363636 -0.2519347 0.3562894), wk = 0.0027322 k( 50) = ( 0.4454546 -0.2571833 0.3637121), wk = 0.0027322 k( 51) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0027322 k( 52) = ( 0.4636364 -0.2676806 0.3785575), wk = 0.0027322 k( 53) = ( 0.4727273 -0.2729292 0.3859802), wk = 0.0027322 k( 54) = ( 0.4818182 -0.2781779 0.3934029), wk = 0.0027322 k( 55) = ( 0.4909091 -0.2834265 0.4008256), wk = 0.0027322 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 k( 58) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027322 k( 59) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027322 k( 60) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027322 k( 61) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027322 k( 62) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027322 k( 63) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027322 k( 64) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027322 k( 65) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027322 k( 66) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027322 k( 67) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027322 k( 68) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027322 k( 69) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027322 k( 70) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027322 k( 71) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027322 k( 72) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027322 k( 73) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027322 k( 74) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027322 k( 75) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027322 k( 76) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027322 k( 77) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027322 k( 78) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027322 k( 79) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027322 k( 80) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027322 k( 81) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027322 k( 82) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027322 k( 83) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027322 k( 84) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027322 k( 85) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 87) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027322 k( 88) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027322 k( 89) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027322 k( 90) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027322 k( 91) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027322 k( 92) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027322 k( 93) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027322 k( 94) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027322 k( 95) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027322 k( 96) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027322 k( 97) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027322 k( 98) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027322 k( 99) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027322 k( 100) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027322 k( 101) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027322 k( 102) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027322 k( 103) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027322 k( 104) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027322 k( 105) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027322 k( 106) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 108) = ( 0.3685345 0.2127735 0.6018143), wk = 0.0027322 k( 109) = ( 0.3620690 0.2090406 0.5912561), wk = 0.0027322 k( 110) = ( 0.3556034 0.2053077 0.5806980), wk = 0.0027322 k( 111) = ( 0.3491379 0.2015749 0.5701399), wk = 0.0027322 k( 112) = ( 0.3426724 0.1978420 0.5595817), wk = 0.0027322 k( 113) = ( 0.3362069 0.1941091 0.5490236), wk = 0.0027322 k( 114) = ( 0.3297414 0.1903763 0.5384654), wk = 0.0027322 k( 115) = ( 0.3232759 0.1866434 0.5279073), wk = 0.0027322 k( 116) = ( 0.3168103 0.1829105 0.5173491), wk = 0.0027322 k( 117) = ( 0.3103448 0.1791777 0.5067910), wk = 0.0027322 k( 118) = ( 0.3038793 0.1754448 0.4962328), wk = 0.0027322 k( 119) = ( 0.2974138 0.1717119 0.4856747), wk = 0.0027322 k( 120) = ( 0.2909483 0.1679791 0.4751165), wk = 0.0027322 k( 121) = ( 0.2844828 0.1642462 0.4645584), wk = 0.0027322 k( 122) = ( 0.2780172 0.1605133 0.4540003), wk = 0.0027322 k( 123) = ( 0.2715517 0.1567805 0.4434421), wk = 0.0027322 k( 124) = ( 0.2650862 0.1530476 0.4328840), wk = 0.0027322 k( 125) = ( 0.2586207 0.1493147 0.4223258), wk = 0.0027322 k( 126) = ( 0.2521552 0.1455819 0.4117677), wk = 0.0027322 k( 127) = ( 0.2456897 0.1418490 0.4012095), wk = 0.0027322 k( 128) = ( 0.2392241 0.1381161 0.3906514), wk = 0.0027322 k( 129) = ( 0.2327586 0.1343833 0.3800932), wk = 0.0027322 k( 130) = ( 0.2262931 0.1306504 0.3695351), wk = 0.0027322 k( 131) = ( 0.2198276 0.1269175 0.3589769), wk = 0.0027322 k( 132) = ( 0.2133621 0.1231846 0.3484188), wk = 0.0027322 k( 133) = ( 0.2068966 0.1194518 0.3378607), wk = 0.0027322 k( 134) = ( 0.2004310 0.1157189 0.3273025), wk = 0.0027322 k( 135) = ( 0.1939655 0.1119860 0.3167444), wk = 0.0027322 k( 136) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0027322 k( 137) = ( 0.1810345 0.1045203 0.2956281), wk = 0.0027322 k( 138) = ( 0.1745690 0.1007874 0.2850699), wk = 0.0027322 k( 139) = ( 0.1681034 0.0970546 0.2745118), wk = 0.0027322 k( 140) = ( 0.1616379 0.0933217 0.2639536), wk = 0.0027322 k( 141) = ( 0.1551724 0.0895888 0.2533955), wk = 0.0027322 k( 142) = ( 0.1487069 0.0858560 0.2428373), wk = 0.0027322 k( 143) = ( 0.1422414 0.0821231 0.2322792), wk = 0.0027322 k( 144) = ( 0.1357759 0.0783902 0.2217211), wk = 0.0027322 k( 145) = ( 0.1293103 0.0746574 0.2111629), wk = 0.0027322 k( 146) = ( 0.1228448 0.0709245 0.2006048), wk = 0.0027322 k( 147) = ( 0.1163793 0.0671916 0.1900466), wk = 0.0027322 k( 148) = ( 0.1099138 0.0634588 0.1794885), wk = 0.0027322 k( 149) = ( 0.1034483 0.0597259 0.1689303), wk = 0.0027322 k( 150) = ( 0.0969828 0.0559930 0.1583722), wk = 0.0027322 k( 151) = ( 0.0905172 0.0522602 0.1478140), wk = 0.0027322 k( 152) = ( 0.0840517 0.0485273 0.1372559), wk = 0.0027322 k( 153) = ( 0.0775862 0.0447944 0.1266977), wk = 0.0027322 k( 154) = ( 0.0711207 0.0410615 0.1161396), wk = 0.0027322 k( 155) = ( 0.0646552 0.0373287 0.1055815), wk = 0.0027322 k( 156) = ( 0.0581897 0.0335958 0.0950233), wk = 0.0027322 k( 157) = ( 0.0517241 0.0298629 0.0844652), wk = 0.0027322 k( 158) = ( 0.0452586 0.0261301 0.0739070), wk = 0.0027322 k( 159) = ( 0.0387931 0.0223972 0.0633489), wk = 0.0027322 k( 160) = ( 0.0323276 0.0186643 0.0527907), wk = 0.0027322 k( 161) = ( 0.0258621 0.0149315 0.0422326), wk = 0.0027322 k( 162) = ( 0.0193965 0.0111986 0.0316744), wk = 0.0027322 k( 163) = ( 0.0129310 0.0074657 0.0211163), wk = 0.0027322 k( 164) = ( 0.0064655 0.0037329 0.0105581), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0104167 0.0060141 0.0042526), wk = 0.0027322 k( 168) = ( 0.0208333 0.0120281 0.0085052), wk = 0.0027322 k( 169) = ( 0.0312500 0.0180422 0.0127578), wk = 0.0027322 k( 170) = ( 0.0416667 0.0240563 0.0170103), wk = 0.0027322 k( 171) = ( 0.0520833 0.0300703 0.0212629), wk = 0.0027322 k( 172) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0027322 k( 173) = ( 0.0729167 0.0420985 0.0297681), wk = 0.0027322 k( 174) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0027322 k( 175) = ( 0.0937500 0.0541266 0.0382733), wk = 0.0027322 k( 176) = ( 0.1041667 0.0601407 0.0425259), wk = 0.0027322 k( 177) = ( 0.1145833 0.0661547 0.0467784), wk = 0.0027322 k( 178) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0027322 k( 179) = ( 0.1354167 0.0781829 0.0552836), wk = 0.0027322 k( 180) = ( 0.1458333 0.0841969 0.0595362), wk = 0.0027322 k( 181) = ( 0.1562500 0.0902110 0.0637888), wk = 0.0027322 k( 182) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0027322 k( 183) = ( 0.1770833 0.1022391 0.0722940), wk = 0.0027322 k( 184) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0027322 k( 185) = ( 0.1979167 0.1142672 0.0807991), wk = 0.0027322 k( 186) = ( 0.2083333 0.1202813 0.0850517), wk = 0.0027322 k( 187) = ( 0.2187500 0.1262954 0.0893043), wk = 0.0027322 k( 188) = ( 0.2291667 0.1323094 0.0935569), wk = 0.0027322 k( 189) = ( 0.2395833 0.1383235 0.0978095), wk = 0.0027322 k( 190) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0027322 k( 191) = ( 0.2604167 0.1503516 0.1063147), wk = 0.0027322 k( 192) = ( 0.2708333 0.1563657 0.1105672), wk = 0.0027322 k( 193) = ( 0.2812500 0.1623798 0.1148198), wk = 0.0027322 k( 194) = ( 0.2916667 0.1683938 0.1190724), wk = 0.0027322 k( 195) = ( 0.3020833 0.1744079 0.1233250), wk = 0.0027322 k( 196) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0027322 k( 197) = ( 0.3229167 0.1864360 0.1318302), wk = 0.0027322 k( 198) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0027322 k( 199) = ( 0.3437500 0.1984642 0.1403353), wk = 0.0027322 k( 200) = ( 0.3541667 0.2044782 0.1445879), wk = 0.0027322 k( 201) = ( 0.3645833 0.2104923 0.1488405), wk = 0.0027322 k( 202) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0027322 k( 203) = ( 0.3854167 0.2225204 0.1573457), wk = 0.0027322 k( 204) = ( 0.3958333 0.2285345 0.1615983), wk = 0.0027322 k( 205) = ( 0.4062500 0.2345485 0.1658509), wk = 0.0027322 k( 206) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0027322 k( 207) = ( 0.4270833 0.2465767 0.1743560), wk = 0.0027322 k( 208) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0027322 k( 209) = ( 0.4479167 0.2586048 0.1828612), wk = 0.0027322 k( 210) = ( 0.4583333 0.2646189 0.1871138), wk = 0.0027322 k( 211) = ( 0.4687500 0.2706329 0.1913664), wk = 0.0027322 k( 212) = ( 0.4791667 0.2766470 0.1956190), wk = 0.0027322 k( 213) = ( 0.4895833 0.2826611 0.1998716), wk = 0.0027322 k( 214) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 215) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 216) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027322 k( 217) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027322 k( 218) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027322 k( 219) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027322 k( 220) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027322 k( 221) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027322 k( 222) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027322 k( 223) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027322 k( 224) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027322 k( 225) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027322 k( 226) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027322 k( 227) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027322 k( 228) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027322 k( 229) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027322 k( 230) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027322 k( 231) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027322 k( 232) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027322 k( 233) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027322 k( 234) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027322 k( 235) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027322 k( 236) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027322 k( 237) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027322 k( 238) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027322 k( 239) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027322 k( 240) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027322 k( 241) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027322 k( 242) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027322 k( 243) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027322 k( 244) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027322 k( 245) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027322 k( 246) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027322 k( 247) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027322 k( 248) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027322 k( 249) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 250) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 251) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027322 k( 252) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027322 k( 253) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027322 k( 254) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027322 k( 255) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027322 k( 256) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027322 k( 257) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027322 k( 258) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027322 k( 259) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027322 k( 260) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027322 k( 261) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027322 k( 262) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027322 k( 263) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027322 k( 264) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027322 k( 265) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027322 k( 266) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027322 k( 267) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027322 k( 268) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027322 k( 269) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027322 k( 270) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 271) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0027322 k( 272) = ( 0.5000000 0.0074019 0.6019045), wk = 0.0027322 k( 273) = ( 0.5000000 0.0148038 0.5914366), wk = 0.0027322 k( 274) = ( 0.5000000 0.0222058 0.5809687), wk = 0.0027322 k( 275) = ( 0.5000000 0.0296077 0.5705008), wk = 0.0027322 k( 276) = ( 0.5000000 0.0370096 0.5600329), wk = 0.0027322 k( 277) = ( 0.5000000 0.0444116 0.5495650), wk = 0.0027322 k( 278) = ( 0.5000000 0.0518135 0.5390971), wk = 0.0027322 k( 279) = ( 0.5000000 0.0592154 0.5286292), wk = 0.0027322 k( 280) = ( 0.5000000 0.0666173 0.5181613), wk = 0.0027322 k( 281) = ( 0.5000000 0.0740193 0.5076934), wk = 0.0027322 k( 282) = ( 0.5000000 0.0814212 0.4972255), wk = 0.0027322 k( 283) = ( 0.5000000 0.0888231 0.4867576), wk = 0.0027322 k( 284) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0027322 k( 285) = ( 0.5000000 0.1036270 0.4658218), wk = 0.0027322 k( 286) = ( 0.5000000 0.1110289 0.4553539), wk = 0.0027322 k( 287) = ( 0.5000000 0.1184308 0.4448860), wk = 0.0027322 k( 288) = ( 0.5000000 0.1258328 0.4344181), wk = 0.0027322 k( 289) = ( 0.5000000 0.1332347 0.4239501), wk = 0.0027322 k( 290) = ( 0.5000000 0.1406366 0.4134822), wk = 0.0027322 k( 291) = ( 0.5000000 0.1480385 0.4030143), wk = 0.0027322 k( 292) = ( 0.5000000 0.1554405 0.3925464), wk = 0.0027322 k( 293) = ( 0.5000000 0.1628424 0.3820785), wk = 0.0027322 k( 294) = ( 0.5000000 0.1702443 0.3716106), wk = 0.0027322 k( 295) = ( 0.5000000 0.1776462 0.3611427), wk = 0.0027322 k( 296) = ( 0.5000000 0.1850482 0.3506748), wk = 0.0027322 k( 297) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0027322 k( 298) = ( 0.5000000 0.1998520 0.3297390), wk = 0.0027322 k( 299) = ( 0.5000000 0.2072539 0.3192711), wk = 0.0027322 k( 300) = ( 0.5000000 0.2146559 0.3088032), wk = 0.0027322 k( 301) = ( 0.5000000 0.2220578 0.2983353), wk = 0.0027322 k( 302) = ( 0.5000000 0.2294597 0.2878674), wk = 0.0027322 k( 303) = ( 0.5000000 0.2368617 0.2773995), wk = 0.0027322 k( 304) = ( 0.5000000 0.2442636 0.2669316), wk = 0.0027322 k( 305) = ( 0.5000000 0.2516655 0.2564637), wk = 0.0027322 k( 306) = ( 0.5000000 0.2590674 0.2459958), wk = 0.0027322 k( 307) = ( 0.5000000 0.2664694 0.2355279), wk = 0.0027322 k( 308) = ( 0.5000000 0.2738713 0.2250600), wk = 0.0027322 k( 309) = ( 0.5000000 0.2812732 0.2145921), wk = 0.0027322 k( 310) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 311) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027322 k( 312) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027322 k( 313) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027322 k( 314) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027322 k( 315) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027322 k( 316) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027322 k( 317) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027322 k( 318) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027322 k( 319) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027322 k( 320) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027322 k( 321) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027322 k( 322) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027322 k( 323) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027322 k( 324) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027322 k( 325) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027322 k( 326) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027322 k( 327) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027322 k( 328) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027322 k( 329) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027322 k( 330) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027322 k( 331) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027322 k( 332) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027322 k( 333) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027322 k( 334) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027322 k( 335) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027322 k( 336) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027322 k( 337) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027322 k( 338) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027322 k( 339) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027322 k( 340) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027322 k( 341) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027322 k( 342) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027322 k( 343) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027322 k( 344) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027322 k( 345) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027322 k( 346) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027322 k( 347) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027322 k( 348) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027322 k( 349) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027322 k( 350) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027322 k( 351) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027322 k( 352) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027322 k( 353) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027322 k( 354) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027322 k( 355) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027322 k( 356) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027322 k( 357) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027322 k( 358) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027322 k( 359) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027322 k( 360) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027322 k( 361) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027322 k( 362) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027322 k( 363) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027322 k( 364) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027322 k( 365) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027322 k( 366) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 0.0000000 0.0090909), wk = 0.0027322 k( 3) = ( 0.0181818 0.0000000 0.0181818), wk = 0.0027322 k( 4) = ( 0.0272727 0.0000000 0.0272727), wk = 0.0027322 k( 5) = ( 0.0363636 0.0000000 0.0363636), wk = 0.0027322 k( 6) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0027322 k( 7) = ( 0.0545455 0.0000000 0.0545455), wk = 0.0027322 k( 8) = ( 0.0636364 0.0000000 0.0636364), wk = 0.0027322 k( 9) = ( 0.0727273 0.0000000 0.0727273), wk = 0.0027322 k( 10) = ( 0.0818182 0.0000000 0.0818182), wk = 0.0027322 k( 11) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0027322 k( 12) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0027322 k( 13) = ( 0.1090909 0.0000000 0.1090909), wk = 0.0027322 k( 14) = ( 0.1181818 0.0000000 0.1181818), wk = 0.0027322 k( 15) = ( 0.1272727 0.0000000 0.1272727), wk = 0.0027322 k( 16) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0027322 k( 17) = ( 0.1454545 0.0000000 0.1454545), wk = 0.0027322 k( 18) = ( 0.1545455 0.0000000 0.1545455), wk = 0.0027322 k( 19) = ( 0.1636364 0.0000000 0.1636364), wk = 0.0027322 k( 20) = ( 0.1727273 0.0000000 0.1727273), wk = 0.0027322 k( 21) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0027322 k( 22) = ( 0.1909091 0.0000000 0.1909091), wk = 0.0027322 k( 23) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0027322 k( 24) = ( 0.2090909 0.0000000 0.2090909), wk = 0.0027322 k( 25) = ( 0.2181818 0.0000000 0.2181818), wk = 0.0027322 k( 26) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0027322 k( 27) = ( 0.2363636 0.0000000 0.2363636), wk = 0.0027322 k( 28) = ( 0.2454545 0.0000000 0.2454545), wk = 0.0027322 k( 29) = ( 0.2545455 0.0000000 0.2545455), wk = 0.0027322 k( 30) = ( 0.2636364 0.0000000 0.2636364), wk = 0.0027322 k( 31) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0027322 k( 32) = ( 0.2818182 0.0000000 0.2818182), wk = 0.0027322 k( 33) = ( 0.2909091 0.0000000 0.2909091), wk = 0.0027322 k( 34) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0027322 k( 35) = ( 0.3090909 0.0000000 0.3090909), wk = 0.0027322 k( 36) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0027322 k( 37) = ( 0.3272727 0.0000000 0.3272727), wk = 0.0027322 k( 38) = ( 0.3363636 0.0000000 0.3363636), wk = 0.0027322 k( 39) = ( 0.3454546 0.0000000 0.3454546), wk = 0.0027322 k( 40) = ( 0.3545454 0.0000000 0.3545454), wk = 0.0027322 k( 41) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0027322 k( 42) = ( 0.3727273 0.0000000 0.3727273), wk = 0.0027322 k( 43) = ( 0.3818182 0.0000000 0.3818182), wk = 0.0027322 k( 44) = ( 0.3909091 0.0000000 0.3909091), wk = 0.0027322 k( 45) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0027322 k( 46) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0027322 k( 47) = ( 0.4181818 0.0000000 0.4181818), wk = 0.0027322 k( 48) = ( 0.4272727 0.0000000 0.4272727), wk = 0.0027322 k( 49) = ( 0.4363636 0.0000000 0.4363636), wk = 0.0027322 k( 50) = ( 0.4454546 0.0000000 0.4454545), wk = 0.0027322 k( 51) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0027322 k( 52) = ( 0.4636364 0.0000000 0.4636364), wk = 0.0027322 k( 53) = ( 0.4727273 0.0000000 0.4727273), wk = 0.0027322 k( 54) = ( 0.4818182 0.0000000 0.4818182), wk = 0.0027322 k( 55) = ( 0.4909091 0.0000000 0.4909091), wk = 0.0027322 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 58) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027322 k( 59) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027322 k( 60) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027322 k( 61) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027322 k( 62) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027322 k( 63) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027322 k( 64) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027322 k( 65) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027322 k( 66) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027322 k( 67) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027322 k( 68) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027322 k( 69) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027322 k( 70) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027322 k( 71) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027322 k( 72) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027322 k( 73) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027322 k( 74) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027322 k( 75) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027322 k( 76) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027322 k( 77) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027322 k( 78) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027322 k( 79) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027322 k( 80) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027322 k( 81) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027322 k( 82) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027322 k( 83) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027322 k( 84) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027322 k( 85) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 87) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027322 k( 88) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027322 k( 89) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027322 k( 90) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027322 k( 91) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027322 k( 92) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027322 k( 93) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027322 k( 94) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027322 k( 95) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027322 k( 96) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027322 k( 97) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027322 k( 98) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027322 k( 99) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027322 k( 100) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027322 k( 101) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027322 k( 102) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027322 k( 103) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027322 k( 104) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027322 k( 105) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027322 k( 106) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 108) = ( 0.3685345 0.3685345 0.7370690), wk = 0.0027322 k( 109) = ( 0.3620690 0.3620690 0.7241379), wk = 0.0027322 k( 110) = ( 0.3556034 0.3556034 0.7112069), wk = 0.0027322 k( 111) = ( 0.3491379 0.3491379 0.6982759), wk = 0.0027322 k( 112) = ( 0.3426724 0.3426724 0.6853448), wk = 0.0027322 k( 113) = ( 0.3362069 0.3362069 0.6724138), wk = 0.0027322 k( 114) = ( 0.3297414 0.3297414 0.6594828), wk = 0.0027322 k( 115) = ( 0.3232759 0.3232759 0.6465517), wk = 0.0027322 k( 116) = ( 0.3168103 0.3168103 0.6336207), wk = 0.0027322 k( 117) = ( 0.3103448 0.3103448 0.6206897), wk = 0.0027322 k( 118) = ( 0.3038793 0.3038793 0.6077586), wk = 0.0027322 k( 119) = ( 0.2974138 0.2974138 0.5948276), wk = 0.0027322 k( 120) = ( 0.2909483 0.2909483 0.5818965), wk = 0.0027322 k( 121) = ( 0.2844828 0.2844828 0.5689655), wk = 0.0027322 k( 122) = ( 0.2780172 0.2780172 0.5560345), wk = 0.0027322 k( 123) = ( 0.2715517 0.2715517 0.5431035), wk = 0.0027322 k( 124) = ( 0.2650862 0.2650862 0.5301724), wk = 0.0027322 k( 125) = ( 0.2586207 0.2586207 0.5172414), wk = 0.0027322 k( 126) = ( 0.2521552 0.2521552 0.5043103), wk = 0.0027322 k( 127) = ( 0.2456897 0.2456897 0.4913793), wk = 0.0027322 k( 128) = ( 0.2392241 0.2392241 0.4784483), wk = 0.0027322 k( 129) = ( 0.2327586 0.2327586 0.4655172), wk = 0.0027322 k( 130) = ( 0.2262931 0.2262931 0.4525862), wk = 0.0027322 k( 131) = ( 0.2198276 0.2198276 0.4396552), wk = 0.0027322 k( 132) = ( 0.2133621 0.2133621 0.4267241), wk = 0.0027322 k( 133) = ( 0.2068966 0.2068966 0.4137931), wk = 0.0027322 k( 134) = ( 0.2004310 0.2004310 0.4008621), wk = 0.0027322 k( 135) = ( 0.1939655 0.1939655 0.3879310), wk = 0.0027322 k( 136) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0027322 k( 137) = ( 0.1810345 0.1810345 0.3620690), wk = 0.0027322 k( 138) = ( 0.1745690 0.1745690 0.3491379), wk = 0.0027322 k( 139) = ( 0.1681034 0.1681034 0.3362069), wk = 0.0027322 k( 140) = ( 0.1616379 0.1616379 0.3232759), wk = 0.0027322 k( 141) = ( 0.1551724 0.1551724 0.3103448), wk = 0.0027322 k( 142) = ( 0.1487069 0.1487069 0.2974138), wk = 0.0027322 k( 143) = ( 0.1422414 0.1422414 0.2844828), wk = 0.0027322 k( 144) = ( 0.1357759 0.1357759 0.2715517), wk = 0.0027322 k( 145) = ( 0.1293103 0.1293103 0.2586207), wk = 0.0027322 k( 146) = ( 0.1228448 0.1228448 0.2456897), wk = 0.0027322 k( 147) = ( 0.1163793 0.1163793 0.2327586), wk = 0.0027322 k( 148) = ( 0.1099138 0.1099138 0.2198276), wk = 0.0027322 k( 149) = ( 0.1034483 0.1034483 0.2068966), wk = 0.0027322 k( 150) = ( 0.0969828 0.0969828 0.1939655), wk = 0.0027322 k( 151) = ( 0.0905172 0.0905172 0.1810345), wk = 0.0027322 k( 152) = ( 0.0840517 0.0840517 0.1681034), wk = 0.0027322 k( 153) = ( 0.0775862 0.0775862 0.1551724), wk = 0.0027322 k( 154) = ( 0.0711207 0.0711207 0.1422414), wk = 0.0027322 k( 155) = ( 0.0646552 0.0646552 0.1293103), wk = 0.0027322 k( 156) = ( 0.0581897 0.0581897 0.1163793), wk = 0.0027322 k( 157) = ( 0.0517241 0.0517241 0.1034483), wk = 0.0027322 k( 158) = ( 0.0452586 0.0452586 0.0905172), wk = 0.0027322 k( 159) = ( 0.0387931 0.0387931 0.0775862), wk = 0.0027322 k( 160) = ( 0.0323276 0.0323276 0.0646552), wk = 0.0027322 k( 161) = ( 0.0258621 0.0258621 0.0517241), wk = 0.0027322 k( 162) = ( 0.0193965 0.0193965 0.0387931), wk = 0.0027322 k( 163) = ( 0.0129310 0.0129310 0.0258621), wk = 0.0027322 k( 164) = ( 0.0064655 0.0064655 0.0129310), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 167) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0027322 k( 168) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0027322 k( 169) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0027322 k( 170) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0027322 k( 171) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0027322 k( 172) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0027322 k( 173) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0027322 k( 174) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0027322 k( 175) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0027322 k( 176) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0027322 k( 177) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0027322 k( 178) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0027322 k( 179) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0027322 k( 180) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0027322 k( 181) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0027322 k( 182) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0027322 k( 183) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0027322 k( 184) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0027322 k( 185) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0027322 k( 186) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0027322 k( 187) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0027322 k( 188) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0027322 k( 189) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0027322 k( 190) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027322 k( 191) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0027322 k( 192) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0027322 k( 193) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0027322 k( 194) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0027322 k( 195) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0027322 k( 196) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0027322 k( 197) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0027322 k( 198) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027322 k( 199) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0027322 k( 200) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0027322 k( 201) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0027322 k( 202) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0027322 k( 203) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0027322 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0027322 k( 205) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0027322 k( 206) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0027322 k( 207) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0027322 k( 208) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0027322 k( 209) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0027322 k( 210) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0027322 k( 211) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0027322 k( 212) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0027322 k( 213) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0027322 k( 214) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 216) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027322 k( 217) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027322 k( 218) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027322 k( 219) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027322 k( 220) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027322 k( 221) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0027322 k( 222) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027322 k( 223) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027322 k( 224) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027322 k( 225) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027322 k( 226) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027322 k( 227) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027322 k( 228) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027322 k( 229) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027322 k( 230) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027322 k( 231) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027322 k( 232) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027322 k( 233) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027322 k( 234) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027322 k( 235) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027322 k( 236) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027322 k( 237) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027322 k( 238) = ( 0.5845588 0.3308824 0.5845588), wk = 0.0027322 k( 239) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027322 k( 240) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027322 k( 241) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027322 k( 242) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027322 k( 243) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027322 k( 244) = ( 0.6066177 0.2867647 0.6066177), wk = 0.0027322 k( 245) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027322 k( 246) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027322 k( 247) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027322 k( 248) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027322 k( 249) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 250) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 251) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027322 k( 252) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027322 k( 253) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027322 k( 254) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027322 k( 255) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027322 k( 256) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027322 k( 257) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027322 k( 258) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027322 k( 259) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027322 k( 260) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027322 k( 261) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027322 k( 262) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027322 k( 263) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027322 k( 264) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027322 k( 265) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027322 k( 266) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027322 k( 267) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027322 k( 268) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027322 k( 269) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027322 k( 270) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 271) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027322 k( 272) = ( 0.5000000 0.2564103 0.7435897), wk = 0.0027322 k( 273) = ( 0.5000000 0.2628205 0.7371795), wk = 0.0027322 k( 274) = ( 0.5000000 0.2692308 0.7307692), wk = 0.0027322 k( 275) = ( 0.5000000 0.2756410 0.7243590), wk = 0.0027322 k( 276) = ( 0.5000000 0.2820513 0.7179487), wk = 0.0027322 k( 277) = ( 0.5000000 0.2884615 0.7115385), wk = 0.0027322 k( 278) = ( 0.5000000 0.2948718 0.7051282), wk = 0.0027322 k( 279) = ( 0.5000000 0.3012821 0.6987180), wk = 0.0027322 k( 280) = ( 0.5000000 0.3076923 0.6923077), wk = 0.0027322 k( 281) = ( 0.5000000 0.3141026 0.6858974), wk = 0.0027322 k( 282) = ( 0.5000000 0.3205128 0.6794872), wk = 0.0027322 k( 283) = ( 0.5000000 0.3269231 0.6730769), wk = 0.0027322 k( 284) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0027322 k( 285) = ( 0.5000000 0.3397436 0.6602564), wk = 0.0027322 k( 286) = ( 0.5000000 0.3461538 0.6538462), wk = 0.0027322 k( 287) = ( 0.5000000 0.3525641 0.6474359), wk = 0.0027322 k( 288) = ( 0.5000000 0.3589744 0.6410256), wk = 0.0027322 k( 289) = ( 0.5000000 0.3653846 0.6346154), wk = 0.0027322 k( 290) = ( 0.5000000 0.3717949 0.6282051), wk = 0.0027322 k( 291) = ( 0.5000000 0.3782051 0.6217949), wk = 0.0027322 k( 292) = ( 0.5000000 0.3846154 0.6153846), wk = 0.0027322 k( 293) = ( 0.5000000 0.3910256 0.6089744), wk = 0.0027322 k( 294) = ( 0.5000000 0.3974359 0.6025641), wk = 0.0027322 k( 295) = ( 0.5000000 0.4038462 0.5961538), wk = 0.0027322 k( 296) = ( 0.5000000 0.4102564 0.5897436), wk = 0.0027322 k( 297) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0027322 k( 298) = ( 0.5000000 0.4230769 0.5769231), wk = 0.0027322 k( 299) = ( 0.5000000 0.4294872 0.5705128), wk = 0.0027322 k( 300) = ( 0.5000000 0.4358974 0.5641026), wk = 0.0027322 k( 301) = ( 0.5000000 0.4423077 0.5576923), wk = 0.0027322 k( 302) = ( 0.5000000 0.4487180 0.5512820), wk = 0.0027322 k( 303) = ( 0.5000000 0.4551282 0.5448718), wk = 0.0027322 k( 304) = ( 0.5000000 0.4615385 0.5384615), wk = 0.0027322 k( 305) = ( 0.5000000 0.4679487 0.5320513), wk = 0.0027322 k( 306) = ( 0.5000000 0.4743590 0.5256410), wk = 0.0027322 k( 307) = ( 0.5000000 0.4807692 0.5192308), wk = 0.0027322 k( 308) = ( 0.5000000 0.4871795 0.5128205), wk = 0.0027322 k( 309) = ( 0.5000000 0.4935897 0.5064103), wk = 0.0027322 k( 310) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 311) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 312) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027322 k( 313) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027322 k( 314) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027322 k( 315) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027322 k( 316) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027322 k( 317) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027322 k( 318) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027322 k( 319) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027322 k( 320) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027322 k( 321) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027322 k( 322) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027322 k( 323) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0027322 k( 324) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027322 k( 325) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027322 k( 326) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027322 k( 327) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027322 k( 328) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027322 k( 329) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027322 k( 330) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027322 k( 331) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027322 k( 332) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027322 k( 333) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027322 k( 334) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027322 k( 335) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027322 k( 336) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027322 k( 337) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027322 k( 338) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027322 k( 339) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027322 k( 340) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027322 k( 341) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027322 k( 342) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027322 k( 343) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027322 k( 344) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027322 k( 345) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027322 k( 346) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027322 k( 347) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027322 k( 348) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027322 k( 349) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027322 k( 350) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027322 k( 351) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027322 k( 352) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027322 k( 353) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027322 k( 354) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027322 k( 355) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027322 k( 356) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027322 k( 357) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027322 k( 358) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027322 k( 359) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027322 k( 360) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027322 k( 361) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027322 k( 362) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027322 k( 363) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027322 k( 364) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027322 k( 365) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027322 k( 366) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 Dense grid: 90537 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 14649 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 106, 36) NL pseudopotentials 0.08 Mb ( 53, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2515) G-vector shells 0.00 Mb ( 586) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 106, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 102, 2, 36) The potential is recalculated from file : ./VNiSb.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to now is 7.5 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.5 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.6 secs Computing kpt #: 25 total cpu time spent up to now is 10.9 secs Computing kpt #: 26 total cpu time spent up to now is 11.2 secs Computing kpt #: 27 total cpu time spent up to now is 11.5 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.4 secs Computing kpt #: 31 total cpu time spent up to 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total cpu time spent up to now is 17.6 secs Computing kpt #: 48 total cpu time spent up to now is 17.9 secs Computing kpt #: 49 total cpu time spent up to now is 18.2 secs Computing kpt #: 50 total cpu time spent up to now is 18.5 secs Computing kpt #: 51 total cpu time spent up to now is 18.8 secs Computing kpt #: 52 total cpu time spent up to now is 19.1 secs Computing kpt #: 53 total cpu time spent up to now is 19.4 secs Computing kpt #: 54 total cpu time spent up to now is 19.7 secs Computing kpt #: 55 total cpu time spent up to now is 20.0 secs Computing kpt #: 56 total cpu time spent up to now is 20.3 secs Computing kpt #: 57 total cpu time spent up to now is 20.6 secs Computing kpt #: 58 total cpu time spent up to now is 20.9 secs Computing kpt #: 59 total cpu time spent up to now is 21.2 secs Computing kpt #: 60 total cpu time spent up to now is 21.5 secs Computing kpt #: 61 total cpu time spent up to now is 21.8 secs Computing kpt #: 62 total cpu time spent up to now is 22.1 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total cpu time spent up to now is 44.8 secs Computing kpt #: 141 total cpu time spent up to now is 45.1 secs Computing kpt #: 142 total cpu time spent up to now is 45.4 secs Computing kpt #: 143 total cpu time spent up to now is 45.7 secs Computing kpt #: 144 total cpu time spent up to now is 46.0 secs Computing kpt #: 145 total cpu time spent up to now is 46.3 secs Computing kpt #: 146 total cpu time spent up to now is 46.6 secs Computing kpt #: 147 total cpu time spent up to now is 46.9 secs Computing kpt #: 148 total cpu time spent up to now is 47.3 secs Computing kpt #: 149 total cpu time spent up to now is 47.5 secs Computing kpt #: 150 total cpu time spent up to now is 47.9 secs Computing kpt #: 151 total cpu time spent up to now is 48.1 secs Computing kpt #: 152 total cpu time spent up to now is 48.5 secs Computing kpt #: 153 total cpu time spent up to now is 48.8 secs Computing kpt #: 154 total cpu time spent up to now is 49.1 secs Computing kpt #: 155 total cpu time spent up 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total cpu time spent up to now is 58.9 secs Computing kpt #: 187 total cpu time spent up to now is 59.2 secs Computing kpt #: 188 total cpu time spent up to now is 59.5 secs Computing kpt #: 189 total cpu time spent up to now is 59.8 secs Computing kpt #: 190 total cpu time spent up to now is 60.1 secs Computing kpt #: 191 total cpu time spent up to now is 60.4 secs Computing kpt #: 192 total cpu time spent up to now is 60.7 secs Computing kpt #: 193 total cpu time spent up to now is 61.1 secs Computing kpt #: 194 total cpu time spent up to now is 61.4 secs Computing kpt #: 195 total cpu time spent up to now is 61.7 secs Computing kpt #: 196 total cpu time spent up to now is 62.0 secs Computing kpt #: 197 total cpu time spent up to now is 62.3 secs Computing kpt #: 198 total cpu time spent up to now is 62.7 secs Computing kpt #: 199 total cpu time spent up to now is 63.1 secs Computing kpt #: 200 total cpu time spent up to now is 63.5 secs Computing kpt #: 201 total cpu time spent up 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Computing kpt #: 217 total cpu time spent up to now is 70.2 secs Computing kpt #: 218 total cpu time spent up to now is 70.5 secs Computing kpt #: 219 total cpu time spent up to now is 70.9 secs Computing kpt #: 220 total cpu time spent up to now is 71.2 secs Computing kpt #: 221 total cpu time spent up to now is 71.5 secs Computing kpt #: 222 total cpu time spent up to now is 71.9 secs Computing kpt #: 223 total cpu time spent up to now is 72.2 secs Computing kpt #: 224 total cpu time spent up to now is 72.5 secs Computing kpt #: 225 total cpu time spent up to now is 72.8 secs Computing kpt #: 226 total cpu time spent up to now is 73.1 secs Computing kpt #: 227 total cpu time spent up to now is 73.4 secs Computing kpt #: 228 total cpu time spent up to now is 73.7 secs Computing kpt #: 229 total cpu time spent up to now is 74.1 secs Computing kpt #: 230 total cpu time spent up to now is 74.4 secs Computing kpt #: 231 total cpu time spent up to now is 74.7 secs Computing kpt #: 232 total cpu time spent up to now is 75.0 secs Computing kpt #: 233 total cpu time spent up to now is 75.3 secs Computing kpt #: 234 total cpu time spent up to now is 75.6 secs Computing kpt #: 235 total cpu time spent up to now is 75.9 secs Computing kpt #: 236 total cpu time spent up to now is 76.2 secs Computing kpt #: 237 total cpu time spent up to now is 76.5 secs Computing kpt #: 238 total cpu time spent up to now is 76.8 secs Computing kpt #: 239 total cpu time spent up to now is 77.1 secs Computing kpt #: 240 total cpu time spent up to now is 77.3 secs Computing kpt #: 241 total cpu time spent up to now is 77.7 secs Computing kpt #: 242 total cpu time spent up to now is 78.0 secs Computing kpt #: 243 total cpu time spent up to now is 78.3 secs Computing kpt #: 244 total cpu time spent up to now is 78.5 secs Computing kpt #: 245 total cpu time spent up to now is 78.9 secs Computing kpt #: 246 total cpu time spent up to now is 79.1 secs Computing kpt #: 247 total cpu time spent up to now is 79.4 secs Computing kpt #: 248 total cpu time spent up to now is 79.7 secs Computing kpt #: 249 total cpu time spent up to now is 80.0 secs Computing kpt #: 250 total cpu time spent up to now is 80.3 secs Computing kpt #: 251 total cpu time spent up to now is 80.6 secs Computing kpt #: 252 total cpu time spent up to now is 80.9 secs Computing kpt #: 253 total cpu time spent up to now is 81.2 secs Computing kpt #: 254 total cpu time spent up to now is 81.5 secs Computing kpt #: 255 total cpu time spent up to now is 81.8 secs Computing kpt #: 256 total cpu time spent up to now is 82.1 secs Computing kpt #: 257 total cpu time spent up to now is 82.4 secs Computing kpt #: 258 total cpu time spent up to now is 82.7 secs Computing kpt #: 259 total cpu time spent up to now is 83.0 secs Computing kpt #: 260 total cpu time spent up to now is 83.3 secs Computing kpt #: 261 total cpu time spent up to now is 83.5 secs Computing kpt #: 262 total cpu time spent up to now is 83.8 secs 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total cpu time spent up to now is 88.9 secs Computing kpt #: 279 total cpu time spent up to now is 89.2 secs Computing kpt #: 280 total cpu time spent up to now is 89.5 secs Computing kpt #: 281 total cpu time spent up to now is 89.8 secs Computing kpt #: 282 total cpu time spent up to now is 90.0 secs Computing kpt #: 283 total cpu time spent up to now is 90.3 secs Computing kpt #: 284 total cpu time spent up to now is 90.6 secs Computing kpt #: 285 total cpu time spent up to now is 90.9 secs Computing kpt #: 286 total cpu time spent up to now is 91.2 secs Computing kpt #: 287 total cpu time spent up to now is 91.5 secs Computing kpt #: 288 total cpu time spent up to now is 91.7 secs Computing kpt #: 289 total cpu time spent up to now is 92.0 secs Computing kpt #: 290 total cpu time spent up to now is 92.3 secs Computing kpt #: 291 total cpu time spent up to now is 92.6 secs Computing kpt #: 292 total cpu time spent up to now is 92.9 secs Computing kpt #: 293 total cpu time spent up to now is 93.3 secs Computing kpt #: 294 total cpu time spent up to now is 93.6 secs Computing kpt #: 295 total cpu time spent up to now is 93.9 secs Computing kpt #: 296 total cpu time spent up to now is 94.2 secs Computing kpt #: 297 total cpu time spent up to now is 94.5 secs Computing kpt #: 298 total cpu time spent up to now is 94.9 secs Computing kpt #: 299 total cpu time spent up to now is 95.2 secs Computing kpt #: 300 total cpu time spent up to now is 95.5 secs Computing kpt #: 301 total cpu time spent up to now is 95.8 secs Computing kpt #: 302 total cpu time spent up to now is 96.1 secs Computing kpt #: 303 total cpu time spent up to now is 96.4 secs Computing kpt #: 304 total cpu time spent up to now is 96.7 secs Computing kpt #: 305 total cpu time spent up to now is 97.1 secs Computing kpt #: 306 total cpu time spent up to now is 97.4 secs Computing kpt #: 307 total cpu time spent up to now is 97.7 secs Computing kpt #: 308 total cpu time spent up to now is 98.1 secs Computing kpt #: 309 total cpu time spent up to now is 98.4 secs Computing kpt #: 310 total cpu time spent up to now is 98.8 secs Computing kpt #: 311 total cpu time spent up to now is 99.2 secs Computing kpt #: 312 total cpu time spent up to now is 99.5 secs Computing kpt #: 313 total cpu time spent up to now is 99.9 secs Computing kpt #: 314 total cpu time spent up to now is 100.2 secs Computing kpt #: 315 total cpu time spent up to now is 100.5 secs Computing kpt #: 316 total cpu time spent up to now is 100.9 secs Computing kpt #: 317 total cpu time spent up to now is 101.2 secs Computing kpt #: 318 total cpu time spent up to now is 101.5 secs Computing kpt #: 319 total cpu time spent up to now is 101.8 secs Computing kpt #: 320 total cpu time spent up to now is 102.1 secs Computing kpt #: 321 total cpu time spent up to now is 102.5 secs Computing kpt #: 322 total cpu time spent up to now is 102.8 secs Computing kpt #: 323 total cpu time spent up to now is 103.1 secs Computing kpt #: 324 total cpu time spent up to now is 103.4 secs Computing kpt #: 325 total cpu time spent up to now is 103.7 secs Computing kpt #: 326 total cpu time spent up to now is 104.1 secs Computing kpt #: 327 total cpu time spent up to now is 104.4 secs Computing kpt #: 328 total cpu time spent up to now is 104.7 secs Computing kpt #: 329 total cpu time spent up to now is 105.0 secs Computing kpt #: 330 total cpu time spent up to now is 105.3 secs Computing kpt #: 331 total cpu time spent up to now is 105.6 secs Computing kpt #: 332 total cpu time spent up to now is 105.9 secs Computing kpt #: 333 total cpu time spent up to now is 106.3 secs Computing kpt #: 334 total cpu time spent up to now is 106.6 secs Computing kpt #: 335 total cpu time spent up to now is 106.9 secs Computing kpt #: 336 total cpu time spent up to now is 107.1 secs Computing kpt #: 337 total cpu time spent up to now is 107.4 secs Computing kpt #: 338 total cpu time spent up to now is 107.7 secs Computing kpt #: 339 total cpu time spent up to now is 108.0 secs Computing kpt #: 340 total cpu time spent up to now is 108.3 secs Computing kpt #: 341 total cpu time spent up to now is 108.6 secs Computing kpt #: 342 total cpu time spent up to now is 108.9 secs Computing kpt #: 343 total cpu time spent up to now is 109.2 secs Computing kpt #: 344 total cpu time spent up to now is 109.5 secs Computing kpt #: 345 total cpu time spent up to now is 109.8 secs Computing kpt #: 346 total cpu time spent up to now is 110.1 secs Computing kpt #: 347 total cpu time spent up to now is 110.4 secs Computing kpt #: 348 total cpu time spent up to now is 110.7 secs Computing kpt #: 349 total cpu time spent up to now is 111.0 secs Computing kpt #: 350 total cpu time spent up to now is 111.3 secs Computing kpt #: 351 total cpu time spent up to now is 111.6 secs Computing kpt #: 352 total cpu time spent up to now is 111.9 secs Computing kpt #: 353 total cpu time spent up to now is 112.2 secs Computing kpt #: 354 total cpu time spent up to now is 112.5 secs Computing kpt #: 355 total cpu time spent up to now is 112.8 secs Computing kpt #: 356 total cpu time spent up to now is 113.1 secs Computing kpt #: 357 total cpu time spent up to now is 113.4 secs Computing kpt #: 358 total cpu time spent up to now is 113.7 secs Computing kpt #: 359 total cpu time spent up to now is 114.0 secs Computing kpt #: 360 total cpu time spent up to now is 114.3 secs Computing kpt #: 361 total cpu time spent up to now is 114.6 secs Computing kpt #: 362 total cpu time spent up to now is 114.9 secs Computing kpt #: 363 total cpu time spent up to now is 115.2 secs Computing kpt #: 364 total cpu time spent up to now is 115.5 secs Computing kpt #: 365 total cpu time spent up to now is 115.8 secs Computing kpt #: 366 total cpu time spent up to now is 116.1 secs ethr = 3.57E-08, avg # of iterations = 13.6 total cpu time spent up to now is 116.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4032 0.4032 8.8826 8.8826 9.0152 9.0152 9.0152 9.0152 9.7417 9.7417 9.7417 9.7417 11.5749 11.5749 11.6140 11.6140 11.6140 11.6140 13.1473 13.1473 13.1473 13.1473 14.3657 14.3657 14.9229 14.9229 14.9229 14.9229 k = 0.0091-0.0052 0.0074 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4045 0.4045 8.8815 8.8815 9.0117 9.0117 9.0169 9.0169 9.7390 9.7390 9.7457 9.7457 11.5728 11.5728 11.6117 11.6117 11.6127 11.6127 13.1447 13.1447 13.1478 13.1478 14.3660 14.3660 14.9178 14.9178 14.9233 14.9233 k = 0.0182-0.0105 0.0148 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4085 0.4085 8.8779 8.8779 9.0055 9.0055 9.0180 9.0180 9.7376 9.7376 9.7511 9.7511 11.5664 11.5664 11.6053 11.6053 11.6086 11.6086 13.1393 13.1393 13.1472 13.1472 14.3671 14.3671 14.9034 14.9034 14.9244 14.9244 k = 0.0273-0.0157 0.0223 ( 1836 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2602 -25.2602 -25.2601 -25.2601 0.4153 0.4153 8.8713 8.8713 8.9969 8.9969 9.0193 9.0193 9.7376 9.7376 9.7578 9.7578 11.5558 11.5558 11.5950 11.5950 11.6017 11.6017 13.1307 13.1307 13.1458 13.1458 14.3686 14.3686 14.8817 14.8817 14.9260 14.9260 k = 0.0364-0.0210 0.0297 ( 1836 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2602 -25.2602 -25.2601 -25.2601 0.4246 0.4246 8.8603 8.8603 8.9871 8.9871 9.0210 9.0210 9.7387 9.7387 9.7655 9.7655 11.5408 11.5408 11.5809 11.5809 11.5922 11.5922 13.1191 13.1191 13.1437 13.1437 14.3705 14.3705 14.8554 14.8554 14.9280 14.9280 k = 0.0455-0.0262 0.0371 ( 1836 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2602 -25.2602 -25.2602 -25.2602 0.4367 0.4367 8.8437 8.8437 8.9777 8.9777 9.0230 9.0230 9.7408 9.7408 9.7740 9.7740 11.5215 11.5215 11.5637 11.5637 11.5800 11.5800 13.1045 13.1045 13.1411 13.1411 14.3722 14.3722 14.8271 14.8271 14.9302 14.9302 k = 0.0545-0.0315 0.0445 ( 1836 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2603 -25.2603 -25.2602 -25.2602 0.4514 0.4514 8.8204 8.8204 8.9701 8.9701 9.0255 9.0255 9.7439 9.7439 9.7832 9.7832 11.4977 11.4977 11.5437 11.5437 11.5652 11.5652 13.0875 13.0875 13.1378 13.1378 14.3735 14.3735 14.7990 14.7990 14.9323 14.9323 k = 0.0636-0.0367 0.0520 ( 1844 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2604 -25.2604 -25.2602 -25.2602 0.4687 0.4687 8.7902 8.7902 8.9649 8.9649 9.0284 9.0284 9.7479 9.7479 9.7927 9.7927 11.4696 11.4696 11.5213 11.5213 11.5480 11.5480 13.0682 13.0682 13.1340 13.1340 14.3740 14.3740 14.7728 14.7728 14.9339 14.9339 k = 0.0727-0.0420 0.0594 ( 1844 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2604 -25.2604 -25.2603 -25.2603 0.4886 0.4886 8.7538 8.7538 8.9619 8.9619 9.0317 9.0317 9.7527 9.7527 9.8024 9.8024 11.4375 11.4375 11.4970 11.4970 11.5285 11.5285 13.0472 13.0472 13.1296 13.1296 14.3736 14.3736 14.7495 14.7495 14.9348 14.9348 k = 0.0818-0.0472 0.0668 ( 1840 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2605 -25.2605 -25.2603 -25.2603 0.5111 0.5111 8.7119 8.7119 8.9607 8.9607 9.0355 9.0355 9.7582 9.7582 9.8120 9.8120 11.4017 11.4017 11.4708 11.4709 11.5068 11.5068 13.0249 13.0249 13.1247 13.1247 14.3720 14.3720 14.7295 14.7295 14.9345 14.9345 k = 0.0909-0.0525 0.0742 ( 1848 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2606 -25.2606 -25.2604 -25.2604 0.5361 0.5361 8.6652 8.6652 8.9609 8.9609 9.0397 9.0397 9.7643 9.7643 9.8212 9.8212 11.3626 11.3627 11.4431 11.4431 11.4833 11.4833 13.0015 13.0015 13.1191 13.1191 14.3694 14.3694 14.7126 14.7126 14.9327 14.9327 k = 0.1000-0.0577 0.0816 ( 1848 PWs) bands (ev): -51.6643 -51.6643 -26.0858 -26.0858 -25.2607 -25.2607 -25.2605 -25.2605 0.5636 0.5636 8.6144 8.6144 8.9621 8.9621 9.0444 9.0444 9.7710 9.7710 9.8301 9.8301 11.3209 11.3209 11.4139 11.4139 11.4580 11.4580 12.9773 12.9773 13.1130 13.1130 14.3660 14.3660 14.6984 14.6984 14.9290 14.9290 k = 0.1091-0.0630 0.0891 ( 1848 PWs) bands (ev): -51.6643 -51.6643 -26.0859 -26.0859 -25.2608 -25.2608 -25.2605 -25.2605 0.5936 0.5936 8.5600 8.5600 8.9643 8.9643 9.0496 9.0496 9.7781 9.7781 9.8384 9.8384 11.2768 11.2768 11.3834 11.3834 11.4311 11.4311 12.9528 12.9528 13.1064 13.1064 14.3622 14.3622 14.6861 14.6861 14.9230 14.9230 k = 0.1182-0.0682 0.0965 ( 1848 PWs) bands (ev): -51.6643 -51.6643 -26.0860 -26.0860 -25.2610 -25.2610 -25.2606 -25.2606 0.6260 0.6260 8.5026 8.5026 8.9672 8.9672 9.0552 9.0552 9.7854 9.7854 9.8462 9.8462 11.2310 11.2310 11.3519 11.3519 11.4029 11.4029 12.9281 12.9281 13.0992 13.0992 14.3582 14.3582 14.6749 14.6749 14.9144 14.9144 k = 0.1273-0.0735 0.1039 ( 1848 PWs) bands (ev): -51.6643 -51.6643 -26.0861 -26.0861 -25.2611 -25.2611 -25.2607 -25.2607 0.6608 0.6608 8.4425 8.4425 8.9706 8.9706 9.0613 9.0613 9.7928 9.7928 9.8535 9.8535 11.1838 11.1838 11.3194 11.3194 11.3736 11.3736 12.9035 12.9035 13.0915 13.0915 14.3544 14.3544 14.6639 14.6639 14.9030 14.9030 k = 0.1364-0.0787 0.1113 ( 1840 PWs) bands (ev): -51.6643 -51.6643 -26.0862 -26.0862 -25.2613 -25.2613 -25.2607 -25.2607 0.6979 0.6979 8.3800 8.3800 8.9747 8.9747 9.0679 9.0679 9.7999 9.7999 9.8606 9.8606 11.1357 11.1357 11.2863 11.2863 11.3433 11.3433 12.8791 12.8791 13.0833 13.0833 14.3511 14.3511 14.6524 14.6524 14.8885 14.8885 k = 0.1455-0.0840 0.1188 ( 1840 PWs) bands (ev): -51.6642 -51.6642 -26.0863 -26.0863 -25.2614 -25.2614 -25.2608 -25.2608 0.7373 0.7373 8.3156 8.3156 8.9793 8.9793 9.0749 9.0749 9.8063 9.8063 9.8675 9.8675 11.0869 11.0869 11.2526 11.2526 11.3122 11.3122 12.8551 12.8551 13.0747 13.0747 14.3483 14.3483 14.6395 14.6395 14.8708 14.8708 k = 0.1545-0.0892 0.1262 ( 1840 PWs) bands (ev): -51.6642 -51.6642 -26.0864 -26.0864 -25.2616 -25.2616 -25.2609 -25.2609 0.7788 0.7788 8.2495 8.2495 8.9842 8.9842 9.0824 9.0824 9.8114 9.8114 9.8749 9.8749 11.0380 11.0380 11.2184 11.2184 11.2805 11.2805 12.8315 12.8315 13.0655 13.0655 14.3462 14.3462 14.6249 14.6249 14.8498 14.8498 k = 0.1636-0.0945 0.1336 ( 1840 PWs) bands (ev): -51.6642 -51.6642 -26.0865 -26.0865 -25.2618 -25.2618 -25.2610 -25.2610 0.8225 0.8225 8.1820 8.1820 8.9896 8.9896 9.0903 9.0903 9.8149 9.8149 9.8830 9.8830 10.9891 10.9891 11.1840 11.1841 11.2484 11.2484 12.8085 12.8085 13.0559 13.0559 14.3448 14.3448 14.6081 14.6081 14.8254 14.8254 k = 0.1727-0.0997 0.1410 ( 1840 PWs) bands (ev): -51.6642 -51.6642 -26.0866 -26.0866 -25.2619 -25.2619 -25.2611 -25.2611 0.8682 0.8682 8.1134 8.1134 8.9954 8.9954 9.0987 9.0987 9.8161 9.8161 9.8922 9.8922 10.9405 10.9405 11.1495 11.1496 11.2159 11.2159 12.7860 12.7860 13.0458 13.0458 14.3441 14.3441 14.5888 14.5888 14.7977 14.7977 k = 0.1818-0.1050 0.1485 ( 1840 PWs) bands (ev): -51.6642 -51.6642 -26.0867 -26.0867 -25.2621 -25.2621 -25.2612 -25.2612 0.9159 0.9159 8.0441 8.0441 9.0016 9.0016 9.1076 9.1076 9.8151 9.8151 9.9026 9.9026 10.8925 10.8925 11.1151 11.1151 11.1832 11.1832 12.7642 12.7642 13.0354 13.0354 14.3440 14.3440 14.5669 14.5669 14.7668 14.7668 k = 0.1909-0.1102 0.1559 ( 1840 PWs) bands (ev): -51.6641 -51.6641 -26.0868 -26.0868 -25.2623 -25.2623 -25.2613 -25.2613 0.9655 0.9655 7.9742 7.9742 9.0082 9.0082 9.1169 9.1169 9.8118 9.8118 9.9141 9.9141 10.8451 10.8451 11.0807 11.0807 11.1506 11.1506 12.7430 12.7430 13.0245 13.0245 14.3443 14.3443 14.5423 14.5423 14.7327 14.7327 k = 0.2000-0.1155 0.1633 ( 1840 PWs) bands (ev): -51.6641 -51.6641 -26.0870 -26.0870 -25.2625 -25.2625 -25.2614 -25.2614 1.0168 1.0168 7.9041 7.9041 9.0151 9.0151 9.1266 9.1266 9.8063 9.8063 9.9266 9.9266 10.7985 10.7985 11.0466 11.0466 11.1180 11.1180 12.7224 12.7224 13.0132 13.0132 14.3448 14.3448 14.5151 14.5151 14.6958 14.6958 k = 0.2091-0.1207 0.1707 ( 1840 PWs) bands (ev): -51.6641 -51.6641 -26.0871 -26.0871 -25.2628 -25.2628 -25.2615 -25.2615 1.0698 1.0698 7.8340 7.8340 9.0224 9.0224 9.1368 9.1368 9.7987 9.7987 9.9399 9.9399 10.7528 10.7528 11.0129 11.0129 11.0857 11.0857 12.7024 12.7024 13.0016 13.0017 14.3454 14.3454 14.4855 14.4855 14.6561 14.6561 k = 0.2182-0.1260 0.1781 ( 1832 PWs) bands (ev): -51.6640 -51.6640 -26.0873 -26.0873 -25.2630 -25.2630 -25.2616 -25.2616 1.1244 1.1244 7.7641 7.7641 9.0300 9.0300 9.1475 9.1475 9.7892 9.7892 9.9540 9.9540 10.7080 10.7080 10.9795 10.9795 11.0537 11.0537 12.6831 12.6831 12.9898 12.9898 14.3454 14.3454 14.4539 14.4539 14.6141 14.6141 k = 0.2273-0.1312 0.1856 ( 1832 PWs) bands (ev): -51.6640 -51.6640 -26.0874 -26.0874 -25.2632 -25.2632 -25.2617 -25.2617 1.1804 1.1804 7.6948 7.6948 9.0379 9.0379 9.1586 9.1586 9.7778 9.7778 9.9685 9.9685 10.6641 10.6641 10.9466 10.9466 11.0220 11.0220 12.6644 12.6644 12.9776 12.9776 14.3440 14.3440 14.4212 14.4212 14.5699 14.5699 k = 0.2364-0.1365 0.1930 ( 1828 PWs) bands (ev): -51.6640 -51.6640 -26.0875 -26.0875 -25.2634 -25.2634 -25.2618 -25.2618 1.2377 1.2377 7.6262 7.6262 9.0461 9.0461 9.1700 9.1700 9.7649 9.7649 9.9835 9.9835 10.6211 10.6211 10.9143 10.9143 10.9909 10.9909 12.6463 12.6463 12.9651 12.9651 14.3383 14.3383 14.3903 14.3903 14.5238 14.5238 k = 0.2455-0.1417 0.2004 ( 1828 PWs) bands (ev): -51.6640 -51.6640 -26.0877 -26.0877 -25.2637 -25.2637 -25.2619 -25.2619 1.2962 1.2962 7.5584 7.5584 9.0545 9.0545 9.1818 9.1818 9.7504 9.7504 9.9988 9.9988 10.5789 10.5789 10.8825 10.8825 10.9603 10.9603 12.6288 12.6288 12.9524 12.9524 14.3202 14.3202 14.3693 14.3693 14.4761 14.4761 k = 0.2545-0.1470 0.2078 ( 1828 PWs) bands (ev): -51.6639 -51.6639 -26.0878 -26.0878 -25.2639 -25.2639 -25.2620 -25.2620 1.3557 1.3557 7.4919 7.4919 9.0632 9.0632 9.1940 9.1940 9.7346 9.7346 10.0142 10.0142 10.5374 10.5374 10.8514 10.8514 10.9304 10.9304 12.6119 12.6119 12.9395 12.9395 14.2875 14.2875 14.3601 14.3601 14.4272 14.4272 k = 0.2636-0.1522 0.2153 ( 1828 PWs) bands (ev): -51.6639 -51.6639 -26.0880 -26.0880 -25.2642 -25.2642 -25.2621 -25.2621 1.4161 1.4161 7.4266 7.4266 9.0720 9.0720 9.2066 9.2066 9.7177 9.7177 10.0298 10.0298 10.4965 10.4965 10.8210 10.8210 10.9013 10.9013 12.5955 12.5955 12.9265 12.9265 14.2483 14.2483 14.3540 14.3540 14.3781 14.3781 k = 0.2727-0.1575 0.2227 ( 1828 PWs) bands (ev): -51.6639 -51.6639 -26.0881 -26.0881 -25.2644 -25.2644 -25.2622 -25.2622 1.4773 1.4773 7.3629 7.3629 9.0811 9.0811 9.2194 9.2194 9.6997 9.6997 10.0454 10.0454 10.4562 10.4562 10.7912 10.7912 10.8729 10.8729 12.5797 12.5797 12.9133 12.9133 14.2065 14.2065 14.3245 14.3245 14.3518 14.3518 k = 0.2818-0.1627 0.2301 ( 1832 PWs) bands (ev): -51.6638 -51.6638 -26.0883 -26.0883 -25.2646 -25.2646 -25.2623 -25.2623 1.5389 1.5389 7.3008 7.3008 9.0903 9.0903 9.2325 9.2325 9.6811 9.6811 10.0607 10.0607 10.4164 10.4164 10.7622 10.7622 10.8454 10.8454 12.5644 12.5644 12.9000 12.9000 14.1633 14.1633 14.2740 14.2740 14.3445 14.3445 k = 0.2909-0.1680 0.2375 ( 1832 PWs) bands (ev): -51.6638 -51.6638 -26.0884 -26.0884 -25.2649 -25.2649 -25.2624 -25.2624 1.6009 1.6009 7.2405 7.2405 9.0997 9.0997 9.2458 9.2458 9.6618 9.6618 10.0756 10.0756 10.3772 10.3772 10.7340 10.7340 10.8188 10.8188 12.5496 12.5496 12.8867 12.8867 14.1193 14.1193 14.2228 14.2228 14.3357 14.3357 k = 0.3000-0.1732 0.2449 ( 1840 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2651 -25.2651 -25.2625 -25.2625 1.6630 1.6630 7.1822 7.1822 9.1091 9.1091 9.2593 9.2593 9.6421 9.6421 10.0897 10.0897 10.3387 10.3387 10.7064 10.7065 10.7931 10.7931 12.5353 12.5353 12.8734 12.8734 14.0749 14.0749 14.1716 14.1716 14.3243 14.3243 k = 0.3091-0.1785 0.2524 ( 1840 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0887 -25.2654 -25.2654 -25.2626 -25.2626 1.7251 1.7251 7.1261 7.1261 9.1186 9.1186 9.2730 9.2730 9.6223 9.6223 10.1024 10.1024 10.3014 10.3014 10.6797 10.6797 10.7684 10.7684 12.5215 12.5215 12.8602 12.8602 14.0305 14.0305 14.1207 14.1207 14.3098 14.3098 k = 0.3182-0.1837 0.2598 ( 1836 PWs) bands (ev): -51.6637 -51.6637 -26.0889 -26.0889 -25.2656 -25.2656 -25.2627 -25.2627 1.7868 1.7868 7.0721 7.0721 9.1281 9.1281 9.2868 9.2868 9.6027 9.6027 10.1122 10.1122 10.2666 10.2666 10.6538 10.6538 10.7448 10.7448 12.5083 12.5083 12.8471 12.8471 13.9863 13.9863 14.0704 14.0704 14.2919 14.2919 k = 0.3273-0.1890 0.2672 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0890 -25.2659 -25.2659 -25.2628 -25.2628 1.8481 1.8481 7.0205 7.0205 9.1376 9.1376 9.3007 9.3007 9.5832 9.5832 10.1161 10.1161 10.2372 10.2372 10.6288 10.6288 10.7223 10.7223 12.4956 12.4956 12.8341 12.8341 13.9427 13.9427 14.0210 14.0210 14.2702 14.2702 k = 0.3364-0.1942 0.2746 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0892 -25.2661 -25.2661 -25.2629 -25.2629 1.9085 1.9085 6.9713 6.9713 9.1470 9.1470 9.3144 9.3144 9.5641 9.5641 10.1087 10.1087 10.2187 10.2187 10.6045 10.6045 10.7009 10.7009 12.4833 12.4833 12.8214 12.8214 13.8999 13.8999 13.9726 13.9726 14.2448 14.2448 k = 0.3455-0.1994 0.2821 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0893 -25.2663 -25.2663 -25.2630 -25.2630 1.9680 1.9680 6.9246 6.9246 9.1562 9.1562 9.3279 9.3279 9.5458 9.5458 10.0870 10.0870 10.2138 10.2138 10.5811 10.5811 10.6806 10.6806 12.4716 12.4716 12.8089 12.8089 13.8581 13.8581 13.9255 13.9255 14.2158 14.2158 k = 0.3545-0.2047 0.2895 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0894 -26.0894 -25.2665 -25.2665 -25.2631 -25.2631 2.0261 2.0261 6.8806 6.8806 9.1652 9.1652 9.3411 9.3411 9.5283 9.5283 10.0554 10.0554 10.2183 10.2183 10.5586 10.5586 10.6615 10.6615 12.4604 12.4604 12.7967 12.7967 13.8175 13.8175 13.8799 13.8799 14.1836 14.1836 k = 0.3636-0.2099 0.2969 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0896 -26.0896 -25.2667 -25.2667 -25.2632 -25.2632 2.0827 2.0827 6.8391 6.8391 9.1740 9.1740 9.3538 9.3538 9.5121 9.5121 10.0191 10.0191 10.2271 10.2271 10.5370 10.5370 10.6436 10.6436 12.4496 12.4496 12.7849 12.7849 13.7784 13.7784 13.8359 13.8359 14.1489 14.1489 k = 0.3727-0.2152 0.3043 ( 1828 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0897 -25.2669 -25.2669 -25.2633 -25.2633 2.1375 2.1375 6.8004 6.8004 9.1825 9.1825 9.3657 9.3657 9.4973 9.4973 9.9808 9.9808 10.2376 10.2376 10.5163 10.5163 10.6269 10.6269 12.4395 12.4395 12.7736 12.7736 13.7409 13.7409 13.7939 13.7939 14.1124 14.1124 k = 0.3818-0.2204 0.3118 ( 1816 PWs) bands (ev): -51.6635 -51.6635 -26.0898 -26.0898 -25.2671 -25.2671 -25.2634 -25.2634 2.1901 2.1901 6.7644 6.7644 9.1906 9.1906 9.3766 9.3766 9.4845 9.4845 9.9418 9.9418 10.2485 10.2485 10.4967 10.4967 10.6114 10.6114 12.4300 12.4300 12.7627 12.7627 13.7053 13.7053 13.7539 13.7539 14.0751 14.0751 k = 0.3909-0.2257 0.3192 ( 1816 PWs) bands (ev): -51.6635 -51.6635 -26.0899 -26.0899 -25.2673 -25.2673 -25.2634 -25.2634 2.2404 2.2404 6.7312 6.7312 9.1982 9.1982 9.3856 9.3856 9.4741 9.4741 9.9029 9.9029 10.2594 10.2594 10.4780 10.4780 10.5972 10.5972 12.4210 12.4210 12.7523 12.7523 13.6717 13.6717 13.7160 13.7160 14.0376 14.0376 k = 0.4000-0.2309 0.3266 ( 1808 PWs) bands (ev): -51.6635 -51.6635 -26.0900 -26.0900 -25.2675 -25.2675 -25.2635 -25.2635 2.2879 2.2879 6.7007 6.7007 9.2054 9.2054 9.3923 9.3923 9.4671 9.4671 9.8647 9.8647 10.2700 10.2700 10.4605 10.4605 10.5842 10.5842 12.4126 12.4126 12.7426 12.7426 13.6402 13.6402 13.6805 13.6805 14.0009 14.0009 k = 0.4091-0.2362 0.3340 ( 1816 PWs) bands (ev): -51.6635 -51.6635 -26.0901 -26.0901 -25.2677 -25.2677 -25.2636 -25.2636 2.3325 2.3325 6.6730 6.6730 9.2118 9.2118 9.3956 9.3956 9.4638 9.4638 9.8276 9.8276 10.2799 10.2799 10.4441 10.4441 10.5723 10.5723 12.4048 12.4048 12.7335 12.7335 13.6111 13.6111 13.6475 13.6475 13.9656 13.9656 k = 0.4182-0.2414 0.3414 ( 1816 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0902 -25.2678 -25.2678 -25.2636 -25.2636 2.3738 2.3738 6.6481 6.6481 9.2177 9.2177 9.3960 9.3960 9.4644 9.4644 9.7922 9.7922 10.2892 10.2892 10.4288 10.4288 10.5617 10.5617 12.3977 12.3977 12.7251 12.7251 13.5844 13.5844 13.6171 13.6171 13.9324 13.9324 k = 0.4273-0.2467 0.3489 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0903 -26.0903 -25.2679 -25.2679 -25.2637 -25.2637 2.4115 2.4115 6.6259 6.6259 9.2228 9.2228 9.3943 9.3943 9.4677 9.4677 9.7589 9.7589 10.2977 10.2977 10.4149 10.4149 10.5523 10.5523 12.3913 12.3913 12.7174 12.7174 13.5603 13.5603 13.5894 13.5894 13.9018 13.9018 k = 0.4364-0.2519 0.3563 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0904 -26.0904 -25.2681 -25.2681 -25.2637 -25.2637 2.4455 2.4455 6.6065 6.6065 9.2273 9.2273 9.3918 9.3918 9.4722 9.4722 9.7283 9.7283 10.3053 10.3053 10.4022 10.4022 10.5442 10.5442 12.3855 12.3855 12.7105 12.7105 13.5389 13.5389 13.5646 13.5646 13.8741 13.8741 k = 0.4455-0.2572 0.3637 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0904 -26.0904 -25.2682 -25.2682 -25.2638 -25.2638 2.4755 2.4755 6.5897 6.5897 9.2310 9.2310 9.3894 9.3894 9.4768 9.4768 9.7007 9.7007 10.3120 10.3120 10.3909 10.3909 10.5372 10.5372 12.3805 12.3805 12.7044 12.7044 13.5203 13.5203 13.5427 13.5427 13.8497 13.8497 k = 0.4545-0.2624 0.3711 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0905 -26.0905 -25.2683 -25.2683 -25.2638 -25.2638 2.5013 2.5013 6.5756 6.5756 9.2340 9.2340 9.3875 9.3875 9.4809 9.4809 9.6766 9.6766 10.3179 10.3179 10.3811 10.3811 10.5313 10.5313 12.3763 12.3763 12.6992 12.6992 13.5046 13.5046 13.5239 13.5239 13.8288 13.8288 k = 0.4636-0.2677 0.3786 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0905 -26.0905 -25.2683 -25.2683 -25.2638 -25.2638 2.5227 2.5227 6.5641 6.5641 9.2364 9.2364 9.3865 9.3865 9.4841 9.4841 9.6567 9.6567 10.3230 10.3230 10.3729 10.3729 10.5266 10.5266 12.3728 12.3728 12.6950 12.6950 13.4918 13.4918 13.5083 13.5083 13.8115 13.8115 k = 0.4727-0.2729 0.3860 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2684 -25.2684 -25.2638 -25.2638 2.5394 2.5394 6.5552 6.5552 9.2382 9.2382 9.3859 9.3859 9.4862 9.4862 9.6410 9.6410 10.3271 10.3271 10.3661 10.3661 10.5230 10.5230 12.3701 12.3701 12.6916 12.6916 13.4820 13.4820 13.4959 13.4959 13.7979 13.7979 k = 0.4818-0.2782 0.3934 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2684 -25.2684 -25.2639 -25.2639 2.5515 2.5515 6.5489 6.5489 9.2394 9.2394 9.3858 9.3858 9.4874 9.4874 9.6297 9.6297 10.3303 10.3303 10.3610 10.3610 10.5205 10.5205 12.3680 12.3680 12.6892 12.6892 13.4751 13.4751 13.4869 13.4869 13.7881 13.7881 k = 0.4909-0.2834 0.4008 ( 1800 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2685 -25.2639 -25.2639 2.5588 2.5588 6.5451 6.5451 9.2401 9.2401 9.3859 9.3859 9.4879 9.4879 9.6230 9.6230 10.3324 10.3324 10.3578 10.3578 10.5190 10.5190 12.3669 12.3669 12.6877 12.6877 13.4710 13.4710 13.4813 13.4813 13.7823 13.7823 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2685 -25.2639 -25.2639 2.5612 2.5612 6.5438 6.5438 9.2403 9.2403 9.3860 9.3860 9.4880 9.4880 9.6208 9.6208 10.3331 10.3331 10.3566 10.3566 10.5184 10.5184 12.3665 12.3665 12.6872 12.6872 13.4696 13.4696 13.4795 13.4795 13.7804 13.7804 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2685 -25.2639 -25.2639 2.5612 2.5612 6.5438 6.5438 9.2403 9.2403 9.3860 9.3860 9.4880 9.4880 9.6208 9.6208 10.3331 10.3331 10.3566 10.3566 10.5184 10.5184 12.3665 12.3665 12.6872 12.6872 13.4696 13.4696 13.4795 13.4795 13.7804 13.7804 k = 0.5000-0.2784 0.4155 ( 1798 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5614 2.5619 6.5436 6.5461 9.2029 9.2549 9.3497 9.4100 9.4923 9.5047 9.6151 9.6300 10.3219 10.3364 10.3596 10.3598 10.5151 10.5238 12.3655 12.3700 12.6895 12.6901 13.4690 13.4698 13.4790 13.4797 13.7794 13.7805 k = 0.5000-0.2681 0.4228 ( 1798 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5624 2.5632 6.5453 6.5505 9.1538 9.2283 9.3294 9.4104 9.5087 9.5400 9.6151 9.6416 10.3090 10.3304 10.3626 10.3699 10.5139 10.5314 12.3667 12.3759 12.6968 12.6978 13.4679 13.4692 13.4787 13.4796 13.7777 13.7799 k = 0.5000-0.2577 0.4301 ( 1810 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5641 2.5654 6.5491 6.5568 9.0977 9.1718 9.3190 9.3970 9.5321 9.5717 9.6285 9.6554 10.2959 10.3217 10.3627 10.3802 10.5160 10.5420 12.3704 12.3841 12.7087 12.7102 13.4666 13.4674 13.4786 13.4790 13.7752 13.7786 k = 0.5000-0.2474 0.4374 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5665 2.5682 6.5549 6.5652 9.0370 9.1048 9.3042 9.3759 9.5578 9.5854 9.6617 9.6718 10.2831 10.3122 10.3600 10.3873 10.5231 10.5558 12.3765 12.3947 12.7248 12.7267 13.4645 13.4649 13.4780 13.4789 13.7719 13.7764 k = 0.5000-0.2371 0.4447 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5697 2.5718 6.5626 6.5757 8.9731 9.0335 9.2829 9.3487 9.5818 9.5906 9.6912 9.7024 10.2705 10.3026 10.3545 10.3897 10.5364 10.5730 12.3850 12.4076 12.7444 12.7467 13.4607 13.4629 13.4766 13.4794 13.7679 13.7735 k = 0.5000-0.2268 0.4520 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5735 2.5761 6.5723 6.5882 8.9070 8.9597 9.2560 9.3167 9.5938 9.6016 9.7136 9.7424 10.2580 10.2931 10.3471 10.3873 10.5560 10.5931 12.3960 12.4228 12.7669 12.7695 13.4560 13.4604 13.4750 13.4801 13.7631 13.7699 k = 0.5000-0.2165 0.4593 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2684 -25.2682 -25.2639 -25.2639 2.5780 2.5810 6.5840 6.6027 8.8392 8.8843 9.2244 9.2805 9.5964 9.6171 9.7380 9.7797 10.2455 10.2837 10.3386 10.3813 10.5807 10.6156 12.4093 12.4402 12.7916 12.7944 13.4504 13.4573 13.4732 13.4807 13.7576 13.7656 k = 0.5000-0.2062 0.4666 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2684 -25.2681 -25.2640 -25.2639 2.5831 2.5865 6.5975 6.6193 8.7702 8.8080 9.1889 9.2408 9.5988 9.6289 9.7633 9.8136 10.2330 10.2746 10.3296 10.3730 10.6092 10.6401 12.4252 12.4598 12.8176 12.8208 13.4440 13.4535 13.4714 13.4814 13.7514 13.7606 k = 0.5000-0.1959 0.4739 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2684 -25.2681 -25.2640 -25.2640 2.5886 2.5925 6.6129 6.6379 8.7006 8.7311 9.1502 9.1982 9.6009 9.6379 9.7882 9.8442 10.2205 10.2658 10.3207 10.3635 10.6402 10.6659 12.4433 12.4815 12.8446 12.8480 13.4367 13.4488 13.4696 13.4821 13.7445 13.7549 k = 0.5000-0.1856 0.4811 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2683 -25.2680 -25.2640 -25.2640 2.5947 2.5989 6.6302 6.6585 8.6306 8.6540 9.1089 9.1534 9.6028 9.6450 9.8120 9.8717 10.2081 10.2573 10.3124 10.3535 10.6728 10.6925 12.4639 12.5053 12.8718 12.8756 13.4285 13.4431 13.4680 13.4827 13.7370 13.7487 k = 0.5000-0.1753 0.4884 ( 1818 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2683 -25.2679 -25.2640 -25.2640 2.6011 2.6057 6.6493 6.6812 8.5606 8.5768 9.0656 9.1070 9.6044 9.6506 9.8344 9.8963 10.1960 10.2490 10.3047 10.3436 10.7059 10.7194 12.4867 12.5309 12.8990 12.9031 13.4194 13.4365 13.4664 13.4833 13.7289 13.7419 k = 0.5000-0.1650 0.4957 ( 1814 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0903 -25.2683 -25.2678 -25.2641 -25.2640 2.6079 2.6129 6.6701 6.7058 8.4908 8.5000 9.0210 9.0595 9.6057 9.6551 9.8552 9.9183 10.1843 10.2410 10.2977 10.3341 10.7391 10.7462 12.5118 12.5582 12.9257 12.9303 13.4094 13.4290 13.4648 13.4839 13.7203 13.7347 k = 0.5000-0.1546 0.5030 ( 1818 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0903 -25.2682 -25.2678 -25.2641 -25.2641 2.6148 2.6202 6.6925 6.7324 8.4215 8.4236 8.9756 9.0117 9.6067 9.6587 9.8743 9.9381 10.1729 10.2332 10.2914 10.3251 10.7716 10.7725 12.5387 12.5870 12.9518 12.9567 13.3984 13.4204 13.4632 13.4844 13.7112 13.7270 k = 0.5000-0.1443 0.5103 ( 1826 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0903 -25.2682 -25.2677 -25.2641 -25.2641 2.6220 2.6277 6.7166 6.7610 8.3478 8.3530 8.9301 8.9639 9.6075 9.6615 9.8919 9.9559 10.1621 10.2255 10.2857 10.3167 10.7979 10.8030 12.5676 12.6172 12.9769 12.9823 13.3864 13.4109 13.4615 13.4848 13.7018 13.7191 k = 0.5000-0.1340 0.5176 ( 1826 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0903 -25.2681 -25.2676 -25.2642 -25.2641 2.6291 2.6352 6.7421 6.7915 8.2729 8.2856 8.8851 8.9170 9.6081 9.6638 9.9081 9.9721 10.1518 10.2180 10.2808 10.3092 10.8222 10.8329 12.5981 12.6486 13.0011 13.0069 13.3735 13.4005 13.4597 13.4851 13.6921 13.7109 k = 0.5000-0.1237 0.5249 ( 1826 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0902 -25.2681 -25.2675 -25.2642 -25.2642 2.6362 2.6426 6.7690 6.8239 8.1989 8.2195 8.8411 8.8713 9.6086 9.6656 9.9230 9.9869 10.1421 10.2107 10.2763 10.3023 10.8452 10.8610 12.6301 12.6808 13.0241 13.0305 13.3595 13.3891 13.4579 13.4853 13.6822 13.7027 k = 0.5000-0.1134 0.5322 ( 1826 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0902 -25.2680 -25.2674 -25.2642 -25.2642 2.6432 2.6499 6.7971 6.8582 8.1261 8.1549 8.7986 8.8274 9.6089 9.6671 9.9367 10.0006 10.1330 10.2034 10.2724 10.2962 10.8666 10.8871 12.6632 12.7136 13.0459 13.0528 13.3445 13.3768 13.4558 13.4855 13.6723 13.6944 k = 0.5000-0.1031 0.5395 ( 1826 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0902 -25.2680 -25.2673 -25.2643 -25.2642 2.6500 2.6570 6.8262 6.8942 8.0545 8.0922 8.7582 8.7858 9.6091 9.6682 9.9493 10.0132 10.1243 10.1961 10.2689 10.2908 10.8863 10.9110 12.6971 12.7467 13.0664 13.0739 13.3284 13.3636 13.4536 13.4855 13.6625 13.6863 k = 0.5000-0.0928 0.5468 ( 1824 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0902 -25.2679 -25.2673 -25.2643 -25.2643 2.6565 2.6637 6.8561 6.9320 7.9845 8.0317 8.7203 8.7468 9.6092 9.6691 9.9611 10.0250 10.1161 10.1889 10.2659 10.2861 10.9042 10.9327 12.7315 12.7797 13.0855 13.0938 13.3113 13.3495 13.4513 13.4853 13.6528 13.6784 k = 0.5000-0.0825 0.5541 ( 1828 PWs) bands (ev): -51.6635 -51.6634 -26.0906 -26.0901 -25.2679 -25.2672 -25.2644 -25.2643 2.6625 2.6700 6.8863 6.9714 7.9160 7.9739 8.6853 8.7109 9.6092 9.6698 9.9720 10.0361 10.1082 10.1816 10.2632 10.2820 10.9203 10.9520 12.7661 12.8124 13.1032 13.1121 13.2932 13.3347 13.4487 13.4850 13.6436 13.6708 k = 0.5000-0.0722 0.5613 ( 1828 PWs) bands (ev): -51.6635 -51.6634 -26.0906 -26.0901 -25.2679 -25.2671 -25.2644 -25.2643 2.6681 2.6758 6.9165 7.0122 7.8494 7.9192 8.6536 8.6784 9.6092 9.6703 9.9822 10.0465 10.1007 10.1744 10.2609 10.2785 10.9345 10.9689 12.8005 12.8443 13.1194 13.1290 13.2742 13.3192 13.4460 13.4846 13.6348 13.6638 k = 0.5000-0.0619 0.5686 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2678 -25.2670 -25.2644 -25.2643 2.6731 2.6810 6.9462 7.0542 7.7849 7.8682 8.6255 8.6496 9.6091 9.6707 9.9917 10.0563 10.0935 10.1672 10.2588 10.2755 10.9468 10.9836 12.8342 12.8748 13.1338 13.1443 13.2545 13.3033 13.4432 13.4841 13.6268 13.6575 k = 0.5000-0.0515 0.5759 ( 1828 PWs) bands (ev): -51.6635 -51.6634 -26.0906 -26.0901 -25.2678 -25.2670 -25.2645 -25.2643 2.6774 2.6855 6.9744 7.0970 7.7231 7.8219 8.6012 8.6248 9.6091 9.6710 10.0005 10.0656 10.0867 10.1601 10.2572 10.2732 10.9572 10.9959 12.8666 12.9036 13.1465 13.1578 13.2344 13.2874 13.4405 13.4835 13.6197 13.6519 k = 0.5000-0.0412 0.5832 ( 1828 PWs) bands (ev): -51.6635 -51.6634 -26.0906 -26.0901 -25.2678 -25.2669 -25.2645 -25.2644 2.6811 2.6893 7.0003 7.1398 7.6646 7.7811 8.5810 8.6042 9.6090 9.6712 10.0086 10.0743 10.0801 10.1531 10.2559 10.2712 10.9657 11.0059 12.8971 12.9297 13.1571 13.1693 13.2143 13.2720 13.4378 13.4828 13.6136 13.6471 k = 0.5000-0.0309 0.5905 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2678 -25.2669 -25.2645 -25.2644 2.6840 2.6923 7.0227 7.1814 7.6108 7.7471 8.5651 8.5880 9.6089 9.6713 10.0158 10.0740 10.0821 10.1464 10.2548 10.2698 10.9722 11.0136 12.9244 12.9523 13.1656 13.1787 13.1953 13.2578 13.4355 13.4821 13.6087 13.6433 k = 0.5000-0.0206 0.5978 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2669 -25.2646 -25.2644 2.6861 2.6945 7.0402 7.2192 7.5643 7.7213 8.5536 8.5763 9.6089 9.6714 10.0220 10.0686 10.0889 10.1405 10.2541 10.2688 10.9769 11.0191 12.9471 12.9701 13.1712 13.1794 13.1857 13.2460 13.4337 13.4816 13.6051 13.6405 k = 0.5000-0.0103 0.6051 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6874 2.6958 7.0514 7.2477 7.5305 7.7051 8.5467 8.5692 9.6089 9.6715 10.0265 10.0647 10.0938 10.1361 10.2537 10.2681 10.9797 11.0225 12.9627 12.9817 13.1659 13.1766 13.1901 13.2380 13.4326 13.4812 13.6029 13.6389 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6878 2.6963 7.0553 7.2589 7.5175 7.6996 8.5444 8.5669 9.6087 9.6713 10.0281 10.0630 10.0956 10.1342 10.2534 10.2678 10.9806 11.0235 12.9683 12.9856 13.1617 13.1776 13.1916 13.2350 13.4321 13.4810 13.6021 13.6382 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6878 2.6963 7.0553 7.2589 7.5175 7.6996 8.5444 8.5669 9.6087 9.6713 10.0281 10.0630 10.0956 10.1342 10.2534 10.2678 10.9806 11.0235 12.9683 12.9856 13.1617 13.1776 13.1916 13.2350 13.4321 13.4810 13.6021 13.6382 k = 0.4938 0.0108 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6872 2.6957 7.0526 7.2528 7.5230 7.7016 8.5467 8.5694 9.6090 9.6717 10.0279 10.0642 10.0954 10.1356 10.2536 10.2680 10.9801 11.0228 12.9655 12.9838 13.1627 13.1775 13.1931 13.2368 13.4333 13.4819 13.6033 13.6391 k = 0.4875 0.0217 0.6124 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2645 -25.2644 2.6856 2.6941 7.0452 7.2369 7.5365 7.7067 8.5538 8.5772 9.6096 9.6722 10.0270 10.0668 10.0951 10.1389 10.2538 10.2683 10.9782 11.0205 12.9569 12.9781 13.1655 13.1777 13.1980 13.2422 13.4364 13.4840 13.6065 13.6413 k = 0.4813 0.0325 0.6124 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2669 -25.2645 -25.2644 2.6832 2.6916 7.0339 7.2153 7.5534 7.7136 8.5659 8.5903 9.6104 9.6730 10.0265 10.0704 10.0955 10.1435 10.2541 10.2688 10.9751 11.0166 12.9430 12.9684 13.1700 13.1791 13.2065 13.2512 13.4410 13.4872 13.6112 13.6446 k = 0.4750 0.0433 0.6124 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2678 -25.2669 -25.2645 -25.2643 2.6800 2.6883 7.0197 7.1908 7.5706 7.7209 8.5829 8.6085 9.6116 9.6740 10.0269 10.0747 10.0972 10.1489 10.2545 10.2695 10.9705 11.0109 12.9250 12.9551 13.1759 13.1829 13.2183 13.2629 13.4466 13.4912 13.6172 13.6489 k = 0.4688 0.0541 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2678 -25.2669 -25.2645 -25.2643 2.6763 2.6845 7.0035 7.1654 7.5860 7.7277 8.6043 8.6314 9.6130 9.6751 10.0283 10.0794 10.1006 10.1549 10.2549 10.2706 10.9644 11.0034 12.9041 12.9388 13.1831 13.1899 13.2325 13.2767 13.4532 13.4958 13.6241 13.6539 k = 0.4625 0.0650 0.6124 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2669 -25.2644 -25.2642 2.6721 2.6803 6.9860 7.1400 7.5989 7.7333 8.6296 8.6582 9.6147 9.6763 10.0309 10.0842 10.1060 10.1616 10.2553 10.2722 10.9569 10.9940 12.8815 12.9203 13.1917 13.1995 13.2485 13.2919 13.4606 13.5009 13.6317 13.6594 k = 0.4562 0.0758 0.6124 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2670 -25.2644 -25.2642 2.6677 2.6758 6.9680 7.1154 7.6089 7.7375 8.6580 8.6881 9.6168 9.6775 10.0350 10.0887 10.1136 10.1689 10.2557 10.2744 10.9480 10.9827 12.8581 12.9004 13.2019 13.2110 13.2656 13.3082 13.4690 13.5067 13.6396 13.6652 k = 0.4500 0.0866 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2670 -25.2643 -25.2641 2.6631 2.6712 6.9499 7.0919 7.6161 7.7400 8.6886 8.7201 9.6192 9.6788 10.0402 10.0928 10.1230 10.1772 10.2559 10.2774 10.9375 10.9695 12.8346 12.8797 13.2135 13.2236 13.2833 13.3251 13.4785 13.5133 13.6476 13.6713 k = 0.4437 0.0974 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2671 -25.2643 -25.2641 2.6585 2.6664 6.9323 7.0698 7.6209 7.7411 8.7203 8.7531 9.6219 9.6799 10.0467 10.0967 10.1337 10.1868 10.2562 10.2813 10.9255 10.9544 12.8116 12.8591 13.2260 13.2367 13.3010 13.3421 13.4896 13.5211 13.6555 13.6774 k = 0.4375 0.1083 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2671 -25.2642 -25.2640 2.6539 2.6618 6.9153 7.0493 7.6236 7.7410 8.7521 8.7860 9.6251 9.6810 10.0542 10.1002 10.1448 10.1984 10.2564 10.2863 10.9121 10.9376 12.7895 12.8389 13.2390 13.2501 13.3181 13.3587 13.5026 13.5303 13.6630 13.6835 k = 0.4313 0.1191 0.6124 ( 1831 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2671 -25.2642 -25.2640 2.6495 2.6573 6.8994 7.0305 7.6246 7.7399 8.7832 8.8178 9.6285 9.6820 10.0623 10.1035 10.1553 10.2124 10.2570 10.2926 10.8974 10.9193 12.7687 12.8196 13.2519 13.2633 13.3339 13.3742 13.5180 13.5414 13.6699 13.6895 k = 0.4250 0.1299 0.6124 ( 1829 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2672 -25.2642 -25.2639 2.6453 2.6531 6.8847 7.0135 7.6244 7.7381 8.8128 8.8477 9.6323 9.6828 10.0709 10.1065 10.1646 10.2281 10.2589 10.3000 10.8814 10.8997 12.7494 12.8015 13.2644 13.2759 13.3477 13.3880 13.5361 13.5545 13.6760 13.6953 k = 0.4188 0.1407 0.6124 ( 1833 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2672 -25.2641 -25.2639 2.6415 2.6491 6.8715 6.9983 7.6234 7.7359 8.8401 8.8750 9.6362 9.6834 10.0793 10.1092 10.1725 10.2415 10.2657 10.3087 10.8640 10.8797 12.7320 12.7850 13.2761 13.2878 13.3592 13.3997 13.5564 13.5697 13.6813 13.7007 k = 0.4125 0.1516 0.6124 ( 1831 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2672 -25.2641 -25.2639 2.6380 2.6456 6.8597 6.9851 7.6220 7.7336 8.8647 8.8993 9.6402 9.6837 10.0873 10.1117 10.1791 10.2471 10.2823 10.3185 10.8449 10.8603 12.7166 12.7702 13.2867 13.2988 13.3682 13.4090 13.5783 13.5866 13.6855 13.7057 k = 0.4062 0.1624 0.6124 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2672 -25.2641 -25.2638 2.6350 2.6425 6.8496 6.9739 7.6203 7.7312 8.8861 8.9200 9.6441 9.6839 10.0945 10.1138 10.1847 10.2484 10.3038 10.3290 10.8246 10.8425 12.7033 12.7574 13.2960 13.3086 13.3749 13.4161 13.5998 13.6053 13.6885 13.7099 k = 0.4000 0.1732 0.6124 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6324 2.6399 6.8413 6.9647 7.6186 7.7291 8.9039 8.9371 9.6477 9.6839 10.1006 10.1155 10.1893 10.2486 10.3259 10.3397 10.8040 10.8268 12.6923 12.7467 13.3039 13.3170 13.3796 13.4213 13.6182 13.6261 13.6904 13.7132 k = 0.3937 0.1840 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6304 2.6379 6.8347 6.9574 7.6171 7.7273 8.9179 8.9504 9.6509 9.6836 10.1055 10.1168 10.1929 10.2483 10.3451 10.3511 10.7850 10.8134 12.6836 12.7383 13.3101 13.3239 13.3827 13.4249 13.6337 13.6462 13.6909 13.7153 k = 0.3875 0.1949 0.6124 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6289 2.6364 6.8300 6.9523 7.6159 7.7259 8.9281 8.9599 9.6534 9.6833 10.1090 10.1178 10.1955 10.2480 10.3557 10.3654 10.7693 10.8031 12.6774 12.7322 13.3147 13.3291 13.3845 13.4272 13.6462 13.6633 13.6902 13.7160 k = 0.3812 0.2057 0.6124 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6280 2.6355 6.8271 6.9492 7.6152 7.7251 8.9342 8.9656 9.6550 9.6831 10.1111 10.1184 10.1971 10.2478 10.3612 10.3764 10.7588 10.7966 12.6736 12.7285 13.3175 13.3323 13.3855 13.4285 13.6547 13.6759 13.6882 13.7155 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6150 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7272 13.3184 13.3334 13.3857 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6150 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7272 13.3184 13.3334 13.3857 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.3685 0.2128 0.6018 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0900 -25.2680 -25.2672 -25.2639 -25.2637 2.6251 2.6327 6.8408 6.9823 7.5382 7.6693 8.9066 8.9373 9.6637 9.6926 10.1113 10.1388 10.1983 10.2477 10.3638 10.3996 10.7721 10.8111 12.7024 12.7579 13.3260 13.3378 13.3809 13.4254 13.6548 13.6838 13.7595 13.7824 k = 0.3621 0.2090 0.5913 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2679 -25.2672 -25.2639 -25.2636 2.6203 2.6280 6.8509 7.0135 7.4709 7.6247 8.8777 8.9079 9.6721 9.7026 10.1096 10.1550 10.1975 10.2487 10.3666 10.4205 10.7891 10.8280 12.7334 12.7893 13.3291 13.3380 13.3765 13.4219 13.6528 13.6829 13.8405 13.8603 k = 0.3556 0.2053 0.5807 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2679 -25.2671 -25.2638 -25.2635 2.6130 2.6208 6.8556 7.0385 7.4170 7.5925 8.8495 8.8793 9.6810 9.7130 10.1073 10.1666 10.1952 10.2503 10.3723 10.4423 10.8062 10.8449 12.7653 12.8215 13.3289 13.3355 13.3726 13.4185 13.6527 13.6830 13.9262 13.9437 k = 0.3491 0.2016 0.5701 ( 1824 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2678 -25.2671 -25.2637 -25.2635 2.6031 2.6110 6.8547 7.0523 7.3818 7.5734 8.8222 8.8517 9.6901 9.7236 10.1046 10.1741 10.1918 10.2520 10.3812 10.4647 10.8236 10.8621 12.7980 12.8541 13.3265 13.3309 13.3695 13.4156 13.6547 13.6845 14.0155 14.0313 k = 0.3427 0.1978 0.5596 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0897 -25.2678 -25.2670 -25.2637 -25.2634 2.5903 2.5981 6.8484 7.0501 7.3703 7.5673 8.7959 8.8250 9.6994 9.7345 10.1015 10.1781 10.1874 10.2527 10.3931 10.4870 10.8410 10.8794 12.8311 12.8869 13.3223 13.3249 13.3674 13.4133 13.6589 13.6877 14.1078 14.1223 k = 0.3362 0.1941 0.5490 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0897 -25.2678 -25.2670 -25.2636 -25.2633 2.5743 2.5821 6.8381 7.0329 7.3820 7.5733 8.7706 8.7995 9.7089 9.7455 10.0983 10.1796 10.1822 10.2524 10.4074 10.5089 10.8587 10.8969 12.8641 12.9194 13.3167 13.3176 13.3668 13.4122 13.6655 13.6927 14.2026 14.2159 k = 0.3297 0.1904 0.5385 ( 1834 PWs) bands (ev): -51.6636 -51.6635 -26.0901 -26.0896 -25.2677 -25.2669 -25.2635 -25.2632 2.5550 2.5627 6.8255 7.0069 7.4109 7.5899 8.7465 8.7752 9.7184 9.7566 10.0950 10.1762 10.1794 10.2508 10.4235 10.5304 10.8766 10.9146 12.8967 12.9511 13.3092 13.3098 13.3683 13.4128 13.6744 13.6996 14.2994 14.3119 k = 0.3233 0.1866 0.5279 ( 1826 PWs) bands (ev): -51.6636 -51.6635 -26.0901 -26.0895 -25.2677 -25.2669 -25.2634 -25.2631 2.5324 2.5398 6.8125 6.9784 7.4508 7.6155 8.7236 8.7521 9.7281 9.7679 10.0918 10.1697 10.1781 10.2482 10.4405 10.5511 10.8948 10.9325 12.9280 12.9813 13.3001 13.3020 13.3726 13.4160 13.6858 13.7086 14.3979 14.4098 k = 0.3168 0.1829 0.5173 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0900 -26.0895 -25.2676 -25.2669 -25.2632 -25.2630 2.5061 2.5134 6.8007 6.9517 7.4976 7.6484 8.7020 8.7303 9.7377 9.7791 10.0885 10.1627 10.1759 10.2447 10.4579 10.5709 10.9132 10.9506 12.9573 13.0090 13.2902 13.2933 13.3803 13.4225 13.6996 13.7195 14.4979 14.5092 k = 0.3103 0.1792 0.5068 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0894 -25.2676 -25.2668 -25.2631 -25.2628 2.4763 2.4833 6.7916 6.9291 7.5490 7.6873 8.6817 8.7099 9.7473 9.7903 10.0853 10.1552 10.1731 10.2406 10.4753 10.5898 10.9319 10.9690 12.9837 13.0335 13.2796 13.2838 13.3922 13.4330 13.7157 13.7325 14.5991 14.6099 k = 0.3039 0.1754 0.4962 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0898 -26.0893 -25.2675 -25.2668 -25.2630 -25.2627 2.4428 2.4495 6.7864 6.9119 7.6037 7.7310 8.6628 8.6908 9.7567 9.8013 10.0823 10.1472 10.1698 10.2361 10.4924 10.6077 10.9509 10.9876 13.0066 13.0541 13.2683 13.2735 13.4090 13.4484 13.7342 13.7476 14.7011 14.7116 k = 0.2974 0.1717 0.4857 ( 1820 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0892 -25.2674 -25.2667 -25.2629 -25.2626 2.4058 2.4122 6.7858 6.9008 7.6609 7.7786 8.6453 8.6733 9.7660 9.8121 10.0795 10.1390 10.1662 10.2314 10.5089 10.6246 10.9702 11.0066 13.0255 13.0703 13.2565 13.2626 13.4309 13.4690 13.7548 13.7647 14.8037 14.8140 k = 0.2909 0.1680 0.4751 ( 1820 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0892 -25.2674 -25.2666 -25.2627 -25.2625 2.3654 2.3714 6.7904 6.8961 7.7200 7.8293 8.6293 8.6572 9.7750 9.8225 10.0770 10.1304 10.1623 10.2266 10.5248 10.6406 10.9898 11.0257 13.0402 13.0821 13.2441 13.2510 13.4578 13.4945 13.7776 13.7839 14.9065 14.9166 k = 0.2845 0.1642 0.4646 ( 1832 PWs) bands (ev): -51.6637 -51.6636 -26.0896 -26.0891 -25.2673 -25.2666 -25.2626 -25.2624 2.3216 2.3272 6.8005 6.8981 7.7807 7.8826 8.6148 8.6426 9.7838 9.8325 10.0748 10.1215 10.1580 10.2217 10.5401 10.6555 11.0096 11.0450 13.0510 13.0898 13.2312 13.2390 13.4893 13.5244 13.8025 13.8050 15.0092 15.0193 k = 0.2780 0.1605 0.4540 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0895 -26.0890 -25.2672 -25.2665 -25.2625 -25.2623 2.2747 2.2799 6.8164 6.9066 7.8425 7.9379 8.6018 8.6296 9.7922 9.8420 10.0732 10.1125 10.1536 10.2170 10.5547 10.6697 11.0297 11.0646 13.0584 13.0941 13.2179 13.2264 13.5246 13.5580 13.8280 13.8292 15.1115 15.1216 k = 0.2716 0.1568 0.4434 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0894 -26.0889 -25.2671 -25.2664 -25.2623 -25.2621 2.2248 2.2297 6.8380 6.9217 7.9053 7.9948 8.5905 8.6183 9.8004 9.8507 10.0723 10.1034 10.1490 10.2125 10.5688 10.6831 11.0501 11.0845 13.0630 13.0957 13.2042 13.2134 13.5628 13.5944 13.8528 13.8578 15.2129 15.2230 k = 0.2651 0.1530 0.4329 ( 1830 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0888 -25.2670 -25.2663 -25.2622 -25.2620 2.1724 2.1769 6.8652 6.9430 7.9686 8.0529 8.5807 8.6086 9.8083 9.8587 10.0721 10.0943 10.1442 10.2084 10.5823 10.6958 11.0707 11.1045 13.0654 13.0951 13.1901 13.2001 13.6028 13.6325 13.8794 13.8879 15.3129 15.3232 k = 0.2586 0.1493 0.4223 ( 1831 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0887 -25.2668 -25.2662 -25.2621 -25.2619 2.1175 2.1216 6.8981 6.9704 8.0323 8.1117 8.5727 8.6006 9.8158 9.8657 10.0724 10.0857 10.1393 10.2049 10.5955 10.7081 11.0916 11.1248 13.0662 13.0930 13.1758 13.1865 13.6439 13.6716 13.9076 13.9195 15.4110 15.4215 k = 0.2522 0.1456 0.4118 ( 1829 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0886 -25.2667 -25.2661 -25.2619 -25.2618 2.0605 2.0643 6.9362 7.0036 8.0959 8.1709 8.5664 8.5944 9.8230 9.8717 10.0708 10.0804 10.1341 10.2020 10.6084 10.7199 11.1126 11.1452 13.0658 13.0898 13.1612 13.1726 13.6851 13.7110 13.9373 13.9523 15.5065 15.5172 k = 0.2457 0.1418 0.4012 ( 1837 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0885 -25.2666 -25.2660 -25.2618 -25.2617 2.0017 2.0051 6.9795 7.0422 8.1592 8.2299 8.5620 8.5901 9.8298 9.8763 10.0636 10.0821 10.1286 10.1998 10.6211 10.7316 11.1338 11.1657 13.0645 13.0857 13.1465 13.1585 13.7257 13.7498 13.9685 13.9862 15.5986 15.6096 k = 0.2392 0.1381 0.3907 ( 1843 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0884 -25.2664 -25.2659 -25.2617 -25.2616 1.9413 1.9444 7.0276 7.0859 8.2215 8.2882 8.5596 8.5879 9.8364 9.8798 10.0546 10.0873 10.1229 10.1987 10.6340 10.7432 11.1552 11.1863 13.0627 13.0812 13.1317 13.1443 13.7650 13.7877 14.0010 14.0209 15.6866 15.6979 k = 0.2328 0.1344 0.3801 ( 1841 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0883 -25.2662 -25.2658 -25.2616 -25.2615 1.8798 1.8825 7.0801 7.1343 8.2824 8.3451 8.5596 8.5882 9.8428 9.8820 10.0455 10.0947 10.1171 10.1988 10.6470 10.7550 11.1766 11.2070 13.0605 13.0764 13.1169 13.1301 13.8024 13.8240 14.0350 14.0565 15.7693 15.7811 k = 0.2263 0.1307 0.3695 ( 1845 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0882 -25.2661 -25.2656 -25.2615 -25.2614 1.8172 1.8197 7.1368 7.1871 8.3408 8.3995 8.5624 8.5917 9.8489 9.8830 10.0363 10.1044 10.1108 10.2002 10.6606 10.7671 11.1981 11.2277 13.0580 13.0714 13.1022 13.1160 13.8373 13.8581 14.0701 14.0929 15.8458 15.8579 k = 0.2198 0.1269 0.3590 ( 1849 PWs) bands (ev): -51.6639 -51.6639 -26.0884 -26.0881 -25.2659 -25.2655 -25.2614 -25.2613 1.7541 1.7563 7.1972 7.2438 8.3954 8.4496 8.5692 8.5998 9.8550 9.8830 10.0271 10.1043 10.1162 10.2033 10.6747 10.7799 11.2197 11.2484 13.0554 13.0663 13.0878 13.1020 13.8693 13.8897 14.1066 14.1301 15.9147 15.9271 k = 0.2134 0.1232 0.3484 ( 1853 PWs) bands (ev): -51.6639 -51.6639 -26.0883 -26.0880 -25.2657 -25.2653 -25.2613 -25.2612 1.6905 1.6925 7.2611 7.3040 8.4435 8.4923 8.5822 8.6151 9.8607 9.8819 10.0180 10.0975 10.1305 10.2083 10.6897 10.7934 11.2412 11.2690 13.0528 13.0609 13.0738 13.0882 13.8981 13.9183 14.1441 14.1680 15.9747 15.9875 k = 0.2069 0.1195 0.3379 ( 1849 PWs) bands (ev): -51.6639 -51.6639 -26.0882 -26.0879 -25.2655 -25.2651 -25.2612 -25.2611 1.6268 1.6285 7.3280 7.3674 8.4818 8.5244 8.6043 8.6405 9.8664 9.8802 10.0089 10.0904 10.1472 10.2157 10.7058 10.8079 11.2626 11.2895 13.0502 13.0543 13.0616 13.0749 13.9235 13.9438 14.1828 14.2067 16.0247 16.0376 k = 0.2004 0.1157 0.3273 ( 1851 PWs) bands (ev): -51.6639 -51.6639 -26.0881 -26.0878 -25.2653 -25.2650 -25.2611 -25.2610 1.5631 1.5647 7.3975 7.4335 8.5089 8.5462 8.6364 8.6751 9.8719 9.8778 9.9999 10.0829 10.1665 10.2257 10.7230 10.8236 11.2839 11.3098 13.0437 13.0476 13.0540 13.0622 13.9455 13.9660 14.2221 14.2460 16.0633 16.0763 k = 0.1940 0.1120 0.3167 ( 1851 PWs) bands (ev): -51.6640 -51.6640 -26.0879 -26.0877 -25.2651 -25.2648 -25.2610 -25.2609 1.4998 1.5012 7.4692 7.5018 8.5276 8.5617 8.6753 8.7146 9.8750 9.8771 9.9909 10.0752 10.1886 10.2388 10.7417 10.8407 11.3050 11.3299 13.0313 13.0441 13.0490 13.0509 13.9643 13.9849 14.2620 14.2858 16.0897 16.1025 k = 0.1875 0.1083 0.3062 ( 1857 PWs) bands (ev): -51.6640 -51.6640 -26.0878 -26.0876 -25.2649 -25.2646 -25.2609 -25.2608 1.4371 1.4383 7.5428 7.5721 8.5422 8.5746 8.7163 8.7549 9.8718 9.8818 9.9819 10.0670 10.2137 10.2554 10.7620 10.8594 11.3258 11.3497 13.0192 13.0360 13.0446 13.0452 13.9801 14.0008 14.3021 14.3259 16.1033 16.1158 k = 0.1810 0.1045 0.2956 ( 1857 PWs) bands (ev): -51.6640 -51.6640 -26.0877 -26.0875 -25.2647 -25.2644 -25.2608 -25.2608 1.3750 1.3761 7.6177 7.6437 8.5552 8.5866 8.7566 8.7939 9.8683 9.8859 9.9729 10.0585 10.2420 10.2761 10.7841 10.8798 11.3463 11.3691 13.0077 13.0256 13.0407 13.0428 13.9933 14.0139 14.3421 14.3660 16.1039 16.1160 k = 0.1746 0.1008 0.2851 ( 1849 PWs) bands (ev): -51.6640 -51.6640 -26.0875 -26.0874 -25.2644 -25.2642 -25.2608 -25.2607 1.3139 1.3148 7.6937 7.7164 8.5680 8.5988 8.7945 8.8303 9.8646 9.8892 9.9639 10.0497 10.2737 10.3012 10.8080 10.9021 11.3663 11.3881 12.9971 13.0157 13.0372 13.0412 14.0043 14.0248 14.3816 14.4057 16.0921 16.1036 k = 0.1681 0.0971 0.2745 ( 1841 PWs) bands (ev): -51.6640 -51.6640 -26.0874 -26.0872 -25.2642 -25.2640 -25.2607 -25.2606 1.2539 1.2547 7.7702 7.7897 8.5810 8.6115 8.8292 8.8636 9.8605 9.8915 9.9549 10.0405 10.3089 10.3311 10.8340 10.9264 11.3859 11.4066 12.9875 13.0066 13.0341 13.0400 14.0135 14.0337 14.4203 14.4447 16.0688 16.0795 k = 0.1616 0.0933 0.2640 ( 1845 PWs) bands (ev): -51.6641 -51.6641 -26.0873 -26.0871 -25.2640 -25.2638 -25.2606 -25.2606 1.1951 1.1957 7.8468 7.8631 8.5947 8.6248 8.8602 8.8933 9.8561 9.8927 9.9457 10.0308 10.3476 10.3658 10.8618 10.9527 11.4049 11.4244 12.9791 12.9986 13.0314 13.0392 14.0212 14.0411 14.4578 14.4825 16.0350 16.0449 k = 0.1552 0.0896 0.2534 ( 1853 PWs) bands (ev): -51.6641 -51.6641 -26.0872 -26.0870 -25.2638 -25.2636 -25.2606 -25.2605 1.1377 1.1382 7.9231 7.9362 8.6090 8.6389 8.8875 8.9193 9.8514 9.8927 9.9364 10.0207 10.3900 10.4055 10.8917 10.9810 11.4233 11.4416 12.9718 12.9918 13.0292 13.0389 14.0281 14.0475 14.4938 14.5190 15.9923 16.0013 k = 0.1487 0.0859 0.2428 ( 1849 PWs) bands (ev): -51.6641 -51.6641 -26.0870 -26.0869 -25.2635 -25.2634 -25.2605 -25.2605 1.0818 1.0823 7.9987 8.0086 8.6242 8.6539 8.9111 8.9417 9.8464 9.8915 9.9270 10.0103 10.4361 10.4501 10.9237 11.0114 11.4409 11.4581 12.9660 12.9863 13.0276 13.0391 14.0345 14.0535 14.5280 14.5537 15.9421 15.9502 k = 0.1422 0.0821 0.2323 ( 1851 PWs) bands (ev): -51.6641 -51.6641 -26.0869 -26.0868 -25.2633 -25.2631 -25.2605 -25.2604 1.0275 1.0279 8.0731 8.0799 8.6402 8.6697 8.9310 8.9607 9.8410 9.8891 9.9174 9.9994 10.4856 10.4993 10.9575 11.0436 11.4578 11.4738 12.9617 12.9823 13.0267 13.0399 14.0410 14.0593 14.5601 14.5863 15.8860 15.8932 k = 0.1358 0.0784 0.2217 ( 1851 PWs) bands (ev): -51.6642 -51.6642 -26.0868 -26.0867 -25.2631 -25.2629 -25.2604 -25.2604 0.9750 0.9754 8.1459 8.1497 8.6570 8.6862 8.9476 8.9764 9.8351 9.8856 9.9076 9.9881 10.5384 10.5528 10.9931 11.0776 11.4738 11.4886 12.9589 12.9798 13.0264 13.0413 14.0480 14.0656 14.5897 14.6164 15.8253 15.8317 k = 0.1293 0.0747 0.2112 ( 1851 PWs) bands (ev): -51.6642 -51.6642 -26.0867 -26.0866 -25.2628 -25.2627 -25.2604 -25.2603 0.9244 0.9247 8.2168 8.2177 8.6745 8.7035 8.9610 8.9890 9.8289 9.8810 9.8977 9.9764 10.5942 10.6100 11.0303 11.1130 11.4889 11.5025 12.9579 12.9788 13.0269 13.0434 14.0559 14.0727 14.6167 14.6437 15.7613 15.7668 k = 0.1228 0.0709 0.2006 ( 1855 PWs) bands (ev): -51.6642 -51.6642 -26.0866 -26.0865 -25.2626 -25.2625 -25.2603 -25.2603 0.8757 0.8759 8.2835 8.2853 8.6928 8.7214 8.9717 8.9991 9.8224 9.8756 9.8875 9.9643 10.6529 10.6706 11.0688 11.1497 11.5030 11.5155 12.9585 12.9796 13.0283 13.0463 14.0651 14.0810 14.6408 14.6681 15.6951 15.6998 k = 0.1164 0.0672 0.1900 ( 1847 PWs) bands (ev): -51.6642 -51.6642 -26.0865 -26.0864 -25.2624 -25.2623 -25.2603 -25.2603 0.8291 0.8293 8.3468 8.3511 8.7118 8.7400 8.9800 9.0068 9.8156 9.8694 9.8774 9.9520 10.7139 10.7340 11.1084 11.1873 11.5161 11.5275 12.9609 12.9819 13.0306 13.0499 14.0761 14.0909 14.6618 14.6894 15.6278 15.6317 k = 0.1099 0.0635 0.1795 ( 1847 PWs) bands (ev): -51.6642 -51.6642 -26.0864 -26.0863 -25.2622 -25.2621 -25.2603 -25.2603 0.7846 0.7847 8.4072 8.4138 8.7313 8.7591 8.9862 9.0124 9.8085 9.8624 9.8668 9.9392 10.7770 10.7996 11.1486 11.2253 11.5282 11.5385 12.9651 12.9860 13.0340 13.0544 14.0892 14.1028 14.6797 14.7073 15.5602 15.5634 k = 0.1034 0.0597 0.1689 ( 1847 PWs) bands (ev): -51.6643 -51.6643 -26.0862 -26.0862 -25.2620 -25.2619 -25.2602 -25.2602 0.7422 0.7424 8.4646 8.4732 8.7513 8.7786 8.9907 9.0165 9.8013 9.8548 9.8562 9.9260 10.8416 10.8667 11.1892 11.2634 11.5392 11.5484 12.9710 12.9917 13.0382 13.0597 14.1047 14.1169 14.6944 14.7218 15.4933 15.4958 k = 0.0970 0.0560 0.1584 ( 1851 PWs) bands (ev): -51.6643 -51.6643 -26.0862 -26.0861 -25.2618 -25.2617 -25.2602 -25.2602 0.7022 0.7023 8.5188 8.5290 8.7718 8.7984 8.9937 9.0191 9.7938 9.8454 9.8467 9.9126 10.9073 10.9348 11.2296 11.3011 11.5492 11.5574 12.9786 12.9990 13.0435 13.0657 14.1228 14.1336 14.7060 14.7329 15.4278 15.4295 k = 0.0905 0.0523 0.1478 ( 1851 PWs) bands (ev): -51.6643 -51.6643 -26.0861 -26.0860 -25.2616 -25.2615 -25.2602 -25.2602 0.6644 0.6645 8.5694 8.5808 8.7926 8.8186 8.9956 9.0207 9.7864 9.8346 9.8382 9.8990 10.9737 11.0031 11.2696 11.3379 11.5582 11.5654 12.9879 13.0078 13.0498 13.0724 14.1438 14.1529 14.7147 14.7409 15.3644 15.3654 k = 0.0841 0.0485 0.1373 ( 1851 PWs) bands (ev): -51.6643 -51.6643 -26.0860 -26.0859 -25.2614 -25.2613 -25.2602 -25.2602 0.6291 0.6292 8.6164 8.6286 8.8136 8.8389 8.9966 9.0215 9.7790 9.8239 9.8295 9.8853 11.0400 11.0711 11.3085 11.3736 11.5662 11.5725 12.9986 13.0180 13.0569 13.0798 14.1675 14.1749 14.7207 14.7460 15.3039 15.3041 k = 0.0776 0.0448 0.1267 ( 1859 PWs) bands (ev): -51.6643 -51.6643 -26.0859 -26.0859 -25.2612 -25.2612 -25.2602 -25.2602 0.5962 0.5962 8.6596 8.6720 8.8348 8.8593 8.9970 9.0216 9.7718 9.8132 9.8206 9.8714 11.1057 11.1380 11.3462 11.4075 11.5732 11.5786 13.0107 13.0293 13.0648 13.0875 14.1939 14.1995 14.7247 14.7487 15.2462 15.2468 k = 0.0711 0.0411 0.1161 ( 1851 PWs) bands (ev): -51.6643 -51.6643 -26.0858 -26.0858 -25.2610 -25.2610 -25.2602 -25.2601 0.5657 0.5658 8.6989 8.7110 8.8560 8.8797 8.9971 9.0215 9.7649 9.8028 9.8117 9.8576 11.1702 11.2030 11.3821 11.4395 11.5794 11.5840 13.0239 13.0417 13.0734 13.0956 14.2223 14.2262 14.7275 14.7500 15.1924 15.1938 k = 0.0647 0.0373 0.1056 ( 1849 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2609 -25.2609 -25.2601 -25.2601 0.5378 0.5378 8.7342 8.7455 8.8770 8.8998 8.9971 9.0212 9.7584 9.7928 9.8027 9.8439 11.2327 11.2654 11.4159 11.4690 11.5847 11.5886 13.0380 13.0548 13.0825 13.1038 14.2519 14.2541 14.7303 14.7508 15.1431 15.1453 k = 0.0582 0.0336 0.0950 ( 1849 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2607 -25.2607 -25.2601 -25.2601 0.5124 0.5125 8.7655 8.7754 8.8977 8.9195 8.9972 9.0209 9.7524 9.7832 9.7939 9.8304 11.2924 11.3244 11.4473 11.4960 11.5894 11.5925 13.0526 13.0684 13.0917 13.1118 14.2812 14.2820 14.7348 14.7529 15.0987 15.1016 k = 0.0517 0.0299 0.0845 ( 1845 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2606 -25.2606 -25.2601 -25.2601 0.4897 0.4897 8.7927 8.8009 8.9177 8.9383 8.9975 9.0207 9.7470 9.7742 9.7854 9.8173 11.3486 11.3792 11.4762 11.5202 11.5934 11.5959 13.0676 13.0821 13.1008 13.1194 14.3082 14.3084 14.7429 14.7583 15.0595 15.0631 k = 0.0453 0.0261 0.0739 ( 1843 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2605 -25.2605 -25.2601 -25.2601 0.4695 0.4695 8.8159 8.8223 8.9367 8.9558 8.9983 9.0206 9.7424 9.7661 9.7773 9.8046 11.4005 11.4289 11.5024 11.5413 11.5970 11.5988 13.0823 13.0954 13.1097 13.1265 14.3307 14.3315 14.7566 14.7690 15.0256 15.0295 k = 0.0388 0.0224 0.0633 ( 1839 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2604 -25.2604 -25.2601 -25.2601 0.4520 0.4520 8.8353 8.8398 8.9544 8.9718 8.9997 9.0206 9.7388 9.7589 9.7696 9.7926 11.4473 11.4726 11.5261 11.5595 11.6001 11.6014 13.0965 13.1081 13.1181 13.1329 14.3479 14.3487 14.7773 14.7867 14.9969 15.0009 k = 0.0323 0.0187 0.0528 ( 1835 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2603 -25.2603 -25.2601 -25.2601 0.4371 0.4371 8.8509 8.8538 8.9704 8.9857 9.0018 9.0207 9.7361 9.7528 9.7627 9.7814 11.4881 11.5090 11.5476 11.5746 11.6030 11.6040 13.1097 13.1196 13.1258 13.1383 14.3590 14.3597 14.8047 14.8111 14.9732 14.9771 k = 0.0259 0.0149 0.0422 ( 1835 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2602 -25.2602 -25.2601 -25.2601 0.4249 0.4249 8.8631 8.8646 8.9842 8.9971 9.0044 9.0206 9.7345 9.7478 9.7564 9.7710 11.5219 11.5366 11.5678 11.5868 11.6058 11.6066 13.1215 13.1296 13.1325 13.1426 14.3649 14.3653 14.8364 14.8404 14.9543 14.9579 k = 0.0194 0.0112 0.0317 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2602 -25.2602 -25.2601 -25.2601 0.4154 0.4154 8.8720 8.8727 8.9958 9.0058 9.0074 9.0202 9.7342 9.7442 9.7510 9.7618 11.5475 11.5552 11.5865 11.5966 11.6085 11.6094 13.1314 13.1376 13.1382 13.1458 14.3668 14.3670 14.8687 14.8709 14.9400 14.9429 k = 0.0129 0.0075 0.0211 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4086 0.4086 8.8780 8.8782 9.0047 9.0106 9.0118 9.0194 9.7353 9.7419 9.7467 9.7537 11.5642 11.5666 11.6015 11.6050 11.6110 11.6119 13.1391 13.1426 13.1434 13.1477 14.3667 14.3668 14.8968 14.8978 14.9301 14.9322 k = 0.0065 0.0037 0.0106 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4045 0.4045 8.8815 8.8815 9.0111 9.0134 9.0148 9.0177 9.7378 9.7411 9.7436 9.7470 11.5725 11.5728 11.6108 11.6114 11.6129 11.6136 13.1444 13.1458 13.1466 13.1483 14.3660 14.3660 14.9160 14.9164 14.9244 14.9255 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4032 0.4032 8.8826 8.8826 9.0152 9.0152 9.0152 9.0152 9.7417 9.7417 9.7417 9.7417 11.5749 11.5749 11.6140 11.6140 11.6140 11.6140 13.1473 13.1473 13.1473 13.1473 14.3657 14.3657 14.9229 14.9229 14.9229 14.9229 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4032 0.4032 8.8826 8.8826 9.0152 9.0152 9.0152 9.0152 9.7417 9.7417 9.7417 9.7417 11.5749 11.5749 11.6140 11.6140 11.6140 11.6140 13.1473 13.1473 13.1473 13.1473 14.3657 14.3657 14.9229 14.9229 14.9229 14.9229 k = 0.0104 0.0060 0.0043 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4045 0.4045 8.8815 8.8815 9.0112 9.0141 9.0141 9.0177 9.7377 9.7423 9.7423 9.7471 11.5727 11.5727 11.6111 11.6111 11.6130 11.6138 13.1445 13.1462 13.1462 13.1482 14.3660 14.3660 14.9160 14.9160 14.9248 14.9259 k = 0.0208 0.0120 0.0085 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2601 -25.2601 -25.2601 -25.2601 0.4085 0.4085 8.8783 8.8783 9.0059 9.0109 9.0109 9.0189 9.7351 9.7443 9.7443 9.7538 11.5652 11.5652 11.6036 11.6036 11.6111 11.6127 13.1399 13.1430 13.1430 13.1474 14.3666 14.3666 14.8966 14.8966 14.9314 14.9336 k = 0.0312 0.0180 0.0128 ( 1837 PWs) bands (ev): -51.6644 -51.6644 -26.0854 -26.0854 -25.2602 -25.2602 -25.2601 -25.2601 0.4151 0.4151 8.8729 8.8729 8.9994 9.0056 9.0056 9.0186 9.7340 9.7474 9.7474 9.7618 11.5495 11.5495 11.5944 11.5944 11.6080 11.6105 13.1337 13.1378 13.1378 13.1447 14.3663 14.3663 14.8689 14.8689 14.9427 14.9460 k = 0.0417 0.0241 0.0170 ( 1835 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2602 -25.2602 -25.2601 -25.2601 0.4243 0.4243 8.8654 8.8654 8.9917 8.9983 8.9983 9.0168 9.7344 9.7518 9.7518 9.7710 11.5237 11.5237 11.5857 11.5857 11.6040 11.6073 13.1259 13.1309 13.1309 13.1405 14.3631 14.3631 14.8387 14.8387 14.9586 14.9627 k = 0.0521 0.0301 0.0213 ( 1841 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2603 -25.2603 -25.2601 -25.2601 0.4362 0.4362 8.8555 8.8555 8.9830 8.9889 8.9889 9.0137 9.7361 9.7573 9.7573 9.7811 11.4882 11.4882 11.5776 11.5776 11.5988 11.6031 13.1170 13.1225 13.1225 13.1347 14.3545 14.3545 14.8120 14.8120 14.9787 14.9837 k = 0.0625 0.0361 0.0255 ( 1841 PWs) bands (ev): -51.6644 -51.6644 -26.0855 -26.0855 -25.2604 -25.2604 -25.2601 -25.2601 0.4507 0.4507 8.8431 8.8431 8.9733 8.9777 8.9777 9.0091 9.7392 9.7639 9.7639 9.7923 11.4441 11.4441 11.5692 11.5692 11.5926 11.5981 13.1069 13.1129 13.1129 13.1278 14.3380 14.3380 14.7941 14.7941 15.0029 15.0086 k = 0.0729 0.0421 0.0298 ( 1841 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2605 -25.2605 -25.2601 -25.2601 0.4677 0.4677 8.8281 8.8281 8.9628 8.9648 8.9648 9.0033 9.7435 9.7713 9.7713 9.8041 11.3926 11.3926 11.5603 11.5603 11.5855 11.5921 13.0962 13.1026 13.1026 13.1198 14.3126 14.3126 14.7880 14.7880 15.0307 15.0370 k = 0.0833 0.0481 0.0340 ( 1841 PWs) bands (ev): -51.6644 -51.6644 -26.0856 -26.0856 -25.2606 -25.2606 -25.2601 -25.2601 0.4874 0.4874 8.8101 8.8101 8.9503 8.9503 8.9516 8.9963 9.7491 9.7796 9.7796 9.8167 11.3346 11.3346 11.5505 11.5505 11.5773 11.5852 13.0851 13.0918 13.0918 13.1112 14.2793 14.2793 14.7943 14.7943 15.0619 15.0687 k = 0.0938 0.0541 0.0383 ( 1841 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2607 -25.2607 -25.2601 -25.2601 0.5096 0.5096 8.7888 8.7888 8.9346 8.9346 8.9398 8.9881 9.7556 9.7885 9.7885 9.8298 11.2709 11.2709 11.5399 11.5399 11.5682 11.5776 13.0738 13.0809 13.0809 13.1021 14.2403 14.2403 14.8115 14.8115 15.0961 15.1032 k = 0.1042 0.0601 0.0425 ( 1847 PWs) bands (ev): -51.6644 -51.6644 -26.0857 -26.0857 -25.2609 -25.2609 -25.2601 -25.2601 0.5343 0.5343 8.7638 8.7638 8.9179 8.9179 8.9274 8.9790 9.7630 9.7979 9.7979 9.8432 11.2025 11.2025 11.5285 11.5285 11.5583 11.5692 13.0624 13.0700 13.0700 13.0927 14.1981 14.1981 14.8375 14.8375 15.1329 15.1402 k = 0.1146 0.0662 0.0468 ( 1847 PWs) bands (ev): -51.6643 -51.6643 -26.0858 -26.0858 -25.2610 -25.2610 -25.2601 -25.2601 0.5616 0.5616 8.7345 8.7345 8.9007 8.9007 8.9146 8.9690 9.7712 9.8078 9.8078 9.8569 11.1305 11.1305 11.5164 11.5164 11.5475 11.5601 13.0515 13.0596 13.0596 13.0834 14.1549 14.1549 14.8702 14.8702 15.1719 15.1794 k = 0.1250 0.0722 0.0510 ( 1856 PWs) bands (ev): -51.6643 -51.6643 -26.0859 -26.0859 -25.2612 -25.2612 -25.2601 -25.2601 0.5913 0.5913 8.7004 8.7004 8.8831 8.8831 8.9014 8.9581 9.7800 9.8179 9.8180 9.8708 11.0557 11.0557 11.5037 11.5037 11.5359 11.5504 13.0412 13.0498 13.0498 13.0745 14.1121 14.1121 14.9079 14.9079 15.2129 15.2204 k = 0.1354 0.0782 0.0553 ( 1856 PWs) bands (ev): -51.6643 -51.6643 -26.0859 -26.0859 -25.2614 -25.2614 -25.2601 -25.2601 0.6234 0.6234 8.6613 8.6613 8.8655 8.8655 8.8881 8.9467 9.7894 9.8283 9.8283 9.8847 10.9793 10.9793 11.4905 11.4905 11.5237 11.5401 13.0316 13.0408 13.0408 13.0660 14.0707 14.0707 14.9494 14.9494 15.2554 15.2629 k = 0.1458 0.0842 0.0595 ( 1856 PWs) bands (ev): -51.6643 -51.6643 -26.0860 -26.0860 -25.2616 -25.2616 -25.2601 -25.2601 0.6579 0.6579 8.6168 8.6168 8.8480 8.8480 8.8746 8.9347 9.7991 9.8386 9.8386 9.8985 10.9023 10.9023 11.4769 11.4769 11.5110 11.5294 13.0229 13.0327 13.0327 13.0582 14.0312 14.0312 14.9937 14.9937 15.2991 15.3065 k = 0.1562 0.0902 0.0638 ( 1850 PWs) bands (ev): -51.6643 -51.6643 -26.0861 -26.0861 -25.2618 -25.2618 -25.2601 -25.2601 0.6948 0.6948 8.5666 8.5666 8.8307 8.8307 8.8610 8.9222 9.8091 9.8488 9.8488 9.9122 10.8258 10.8258 11.4630 11.4630 11.4978 11.5183 13.0153 13.0258 13.0258 13.0512 13.9938 13.9938 15.0400 15.0400 15.3438 15.3510 k = 0.1667 0.0962 0.0680 ( 1844 PWs) bands (ev): -51.6643 -51.6643 -26.0862 -26.0862 -25.2620 -25.2620 -25.2601 -25.2601 0.7339 0.7339 8.5105 8.5105 8.8137 8.8137 8.8473 8.9094 9.8192 9.8588 9.8588 9.9255 10.7507 10.7507 11.4490 11.4490 11.4842 11.5069 13.0089 13.0200 13.0200 13.0452 13.9586 13.9586 15.0879 15.0879 15.3891 15.3961 k = 0.1771 0.1022 0.0723 ( 1850 PWs) bands (ev): -51.6642 -51.6642 -26.0863 -26.0863 -25.2622 -25.2622 -25.2601 -25.2601 0.7753 0.7753 8.4485 8.4485 8.7969 8.7969 8.8337 8.8962 9.8294 9.8684 9.8684 9.9384 10.6777 10.6777 11.4350 11.4350 11.4704 11.4952 13.0038 13.0154 13.0154 13.0403 13.9255 13.9255 15.1366 15.1366 15.4347 15.4414 k = 0.1875 0.1083 0.0765 ( 1847 PWs) bands (ev): -51.6642 -51.6642 -26.0864 -26.0864 -25.2625 -25.2625 -25.2601 -25.2601 0.8188 0.8188 8.3805 8.3805 8.7804 8.7804 8.8201 8.8828 9.8395 9.8775 9.8775 9.9509 10.6078 10.6078 11.4212 11.4212 11.4564 11.4835 13.0000 13.0121 13.0121 13.0365 13.8944 13.8944 15.1860 15.1860 15.4804 15.4869 k = 0.1979 0.1143 0.0808 ( 1847 PWs) bands (ev): -51.6642 -51.6642 -26.0865 -26.0865 -25.2627 -25.2627 -25.2600 -25.2600 0.8644 0.8644 8.3067 8.3067 8.7642 8.7642 8.8067 8.8694 9.8494 9.8861 9.8861 9.9627 10.5415 10.5415 11.4076 11.4076 11.4425 11.4717 12.9976 13.0101 13.0101 13.0339 13.8652 13.8652 15.2355 15.2355 15.5259 15.5321 k = 0.2083 0.1203 0.0851 ( 1847 PWs) bands (ev): -51.6642 -51.6642 -26.0866 -26.0866 -25.2629 -25.2629 -25.2600 -25.2600 0.9121 0.9121 8.2273 8.2273 8.7482 8.7482 8.7934 8.8558 9.8590 9.8939 9.8939 9.9739 10.4793 10.4793 11.3944 11.3944 11.4287 11.4600 12.9966 13.0094 13.0094 13.0325 13.8377 13.8377 15.2849 15.2849 15.5711 15.5770 k = 0.2188 0.1263 0.0893 ( 1850 PWs) bands (ev): -51.6642 -51.6642 -26.0867 -26.0867 -25.2632 -25.2632 -25.2600 -25.2600 0.9617 0.9617 8.1426 8.1426 8.7326 8.7326 8.7804 8.8422 9.8683 9.9009 9.9009 9.9843 10.4215 10.4215 11.3816 11.3816 11.4151 11.4483 12.9970 13.0100 13.0100 13.0324 13.8117 13.8117 15.3339 15.3339 15.6156 15.6212 k = 0.2292 0.1323 0.0936 ( 1847 PWs) bands (ev): -51.6641 -51.6641 -26.0868 -26.0868 -25.2634 -25.2634 -25.2600 -25.2600 1.0132 1.0132 8.0529 8.0529 8.7173 8.7173 8.7676 8.8287 9.8773 9.9071 9.9071 9.9939 10.3683 10.3683 11.3695 11.3695 11.4019 11.4370 12.9987 13.0118 13.0118 13.0336 13.7870 13.7870 15.3822 15.3822 15.6594 15.6646 k = 0.2396 0.1383 0.0978 ( 1847 PWs) bands (ev): -51.6641 -51.6641 -26.0869 -26.0869 -25.2637 -25.2637 -25.2600 -25.2600 1.0663 1.0663 7.9586 7.9586 8.7024 8.7024 8.7552 8.8153 9.8859 9.9123 9.9123 10.0027 10.3199 10.3199 11.3580 11.3580 11.3891 11.4258 13.0018 13.0149 13.0149 13.0360 13.7632 13.7632 15.4298 15.4298 15.7022 15.7072 k = 0.2500 0.1443 0.1021 ( 1847 PWs) bands (ev): -51.6641 -51.6641 -26.0870 -26.0870 -25.2639 -25.2639 -25.2600 -25.2600 1.1211 1.1211 7.8605 7.8605 8.6878 8.6878 8.7430 8.8021 9.8940 9.9164 9.9164 10.0106 10.2762 10.2762 11.3473 11.3473 11.3769 11.4151 13.0062 13.0191 13.0191 13.0395 13.7406 13.7406 15.4762 15.4762 15.7438 15.7485 k = 0.2604 0.1504 0.1063 ( 1847 PWs) bands (ev): -51.6641 -51.6641 -26.0871 -26.0871 -25.2642 -25.2642 -25.2600 -25.2600 1.1775 1.1775 7.7589 7.7589 8.6737 8.6737 8.7313 8.7890 9.9016 9.9193 9.9193 10.0175 10.2372 10.2372 11.3373 11.3373 11.3653 11.4047 13.0118 13.0243 13.0243 13.0443 13.7188 13.7188 15.5214 15.5214 15.7842 15.7887 k = 0.2708 0.1564 0.1106 ( 1853 PWs) bands (ev): -51.6641 -51.6641 -26.0872 -26.0872 -25.2644 -25.2644 -25.2600 -25.2600 1.2351 1.2351 7.6545 7.6545 8.6599 8.6599 8.7199 8.7762 9.9087 9.9210 9.9210 10.0234 10.2026 10.2026 11.3282 11.3282 11.3545 11.3948 13.0185 13.0306 13.0306 13.0500 13.6977 13.6977 15.5652 15.5652 15.8232 15.8274 k = 0.2812 0.1624 0.1148 ( 1847 PWs) bands (ev): -51.6641 -51.6641 -26.0873 -26.0873 -25.2646 -25.2646 -25.2600 -25.2600 1.2940 1.2940 7.5480 7.5480 8.6465 8.6465 8.7090 8.7637 9.9153 9.9215 9.9215 10.0284 10.1724 10.1724 11.3200 11.3200 11.3444 11.3855 13.0263 13.0379 13.0379 13.0569 13.6773 13.6773 15.6075 15.6075 15.8607 15.8646 k = 0.2917 0.1684 0.1191 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0874 -26.0874 -25.2649 -25.2649 -25.2600 -25.2600 1.3539 1.3539 7.4400 7.4400 8.6336 8.6336 8.6984 8.7514 9.9206 9.9206 9.9213 10.0323 10.1464 10.1464 11.3125 11.3125 11.3351 11.3766 13.0352 13.0460 13.0460 13.0646 13.6574 13.6574 15.6481 15.6481 15.8965 15.9003 k = 0.3021 0.1744 0.1233 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0875 -26.0875 -25.2651 -25.2651 -25.2600 -25.2600 1.4146 1.4146 7.3311 7.3311 8.6212 8.6212 8.6884 8.7395 9.9185 9.9185 9.9269 10.0353 10.1242 10.1242 11.3060 11.3060 11.3267 11.3682 13.0449 13.0549 13.0549 13.0732 13.6379 13.6379 15.6870 15.6870 15.9307 15.9343 k = 0.3125 0.1804 0.1276 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0876 -26.0876 -25.2654 -25.2654 -25.2600 -25.2600 1.4760 1.4760 7.2220 7.2220 8.6093 8.6093 8.6788 8.7280 9.9153 9.9153 9.9320 10.0374 10.1055 10.1055 11.3002 11.3002 11.3191 11.3604 13.0554 13.0645 13.0645 13.0825 13.6189 13.6189 15.7239 15.7239 15.9631 15.9665 k = 0.3229 0.1864 0.1318 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0877 -26.0877 -25.2656 -25.2656 -25.2600 -25.2600 1.5377 1.5377 7.1133 7.1133 8.5979 8.5979 8.6698 8.7169 9.9112 9.9112 9.9366 10.0386 10.0899 10.0899 11.2953 11.2953 11.3123 11.3531 13.0665 13.0746 13.0746 13.0924 13.6003 13.6003 15.7588 15.7588 15.9937 15.9969 k = 0.3333 0.1925 0.1361 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0878 -26.0878 -25.2658 -25.2658 -25.2600 -25.2600 1.5996 1.5996 7.0056 7.0056 8.5870 8.5870 8.6613 8.7062 9.9063 9.9063 9.9408 10.0390 10.0770 10.0770 11.2911 11.2911 11.3064 11.3464 13.0782 13.0852 13.0852 13.1029 13.5822 13.5822 15.7914 15.7914 16.0219 16.0224 k = 0.3438 0.1985 0.1403 ( 1853 PWs) bands (ev): -51.6640 -51.6640 -26.0879 -26.0879 -25.2660 -25.2660 -25.2600 -25.2600 1.6613 1.6613 6.8995 6.8995 8.5767 8.5767 8.6533 8.6959 9.9009 9.9009 9.9446 10.0386 10.0665 10.0665 11.2876 11.2876 11.3013 11.3401 13.0903 13.0961 13.0961 13.1137 13.5645 13.5645 15.8213 15.8213 15.9589 15.9590 k = 0.3542 0.2045 0.1446 ( 1853 PWs) bands (ev): -51.6639 -51.6639 -26.0879 -26.0879 -25.2662 -25.2662 -25.2600 -25.2600 1.7224 1.7224 6.7957 6.7957 8.5670 8.5670 8.6459 8.6861 9.8952 9.8952 9.9481 10.0374 10.0577 10.0577 11.2848 11.2848 11.2969 11.3344 13.1026 13.1072 13.1072 13.1247 13.5472 13.5472 15.8451 15.8451 15.9039 15.9039 k = 0.3646 0.2105 0.1488 ( 1847 PWs) bands (ev): -51.6639 -51.6639 -26.0880 -26.0880 -25.2664 -25.2664 -25.2600 -25.2600 1.7827 1.7827 6.6947 6.6947 8.5579 8.5579 8.6391 8.6768 9.8896 9.8896 9.9514 10.0357 10.0506 10.0506 11.2825 11.2825 11.2933 11.3292 13.1151 13.1184 13.1184 13.1358 13.5306 13.5306 15.8305 15.8305 15.8890 15.8890 k = 0.3750 0.2165 0.1531 ( 1844 PWs) bands (ev): -51.6639 -51.6639 -26.0881 -26.0881 -25.2666 -25.2666 -25.2600 -25.2600 1.8417 1.8417 6.5973 6.5973 8.5494 8.5494 8.6329 8.6680 9.8841 9.8841 9.9544 10.0334 10.0447 10.0447 11.2807 11.2807 11.2904 11.3244 13.1276 13.1295 13.1295 13.1468 13.5147 13.5147 15.7832 15.7832 15.9088 15.9088 k = 0.3854 0.2225 0.1573 ( 1844 PWs) bands (ev): -51.6639 -51.6639 -26.0882 -26.0882 -25.2668 -25.2668 -25.2600 -25.2600 1.8990 1.8990 6.5040 6.5040 8.5415 8.5415 8.6272 8.6597 9.8789 9.8789 9.9572 10.0306 10.0397 10.0397 11.2794 11.2794 11.2881 11.3200 13.1398 13.1403 13.1403 13.1576 13.4994 13.4994 15.7363 15.7363 15.9302 15.9302 k = 0.3958 0.2285 0.1616 ( 1850 PWs) bands (ev): -51.6639 -51.6639 -26.0882 -26.0882 -25.2669 -25.2669 -25.2600 -25.2600 1.9541 1.9541 6.4155 6.4155 8.5342 8.5342 8.6222 8.6519 9.8740 9.8740 9.9598 10.0274 10.0355 10.0355 11.2784 11.2784 11.2863 11.3159 13.1508 13.1508 13.1518 13.1681 13.4849 13.4849 15.6929 15.6929 15.9502 15.9502 k = 0.4062 0.2345 0.1659 ( 1838 PWs) bands (ev): -51.6638 -51.6638 -26.0883 -26.0883 -25.2671 -25.2671 -25.2600 -25.2600 2.0065 2.0065 6.3325 6.3325 8.5276 8.5276 8.6178 8.6447 9.8697 9.8697 9.9624 10.0240 10.0321 10.0321 11.2778 11.2778 11.2852 11.3123 13.1608 13.1608 13.1632 13.1781 13.4714 13.4714 15.6535 15.6535 15.9683 15.9683 k = 0.4167 0.2406 0.1701 ( 1838 PWs) bands (ev): -51.6638 -51.6638 -26.0884 -26.0884 -25.2672 -25.2672 -25.2600 -25.2600 2.0556 2.0556 6.2557 6.2557 8.5217 8.5217 8.6140 8.6381 9.8657 9.8657 9.9650 10.0202 10.0291 10.0291 11.2774 11.2774 11.2844 11.3089 13.1702 13.1702 13.1741 13.1873 13.4589 13.4589 15.6181 15.6181 15.9844 15.9844 k = 0.4271 0.2466 0.1744 ( 1838 PWs) bands (ev): -51.6638 -51.6638 -26.0884 -26.0884 -25.2673 -25.2673 -25.2600 -25.2600 2.1008 2.1008 6.1857 6.1857 8.5164 8.5164 8.6108 8.6320 9.8622 9.8622 9.9676 10.0163 10.0266 10.0266 11.2772 11.2772 11.2841 11.3058 13.1788 13.1788 13.1841 13.1958 13.4475 13.4475 15.5869 15.5869 15.9985 15.9985 k = 0.4375 0.2526 0.1786 ( 1838 PWs) bands (ev): -51.6638 -51.6638 -26.0884 -26.0884 -25.2674 -25.2674 -25.2599 -25.2599 2.1416 2.1416 6.1233 6.1233 8.5119 8.5119 8.6082 8.6265 9.8592 9.8592 9.9702 10.0122 10.0245 10.0245 11.2772 11.2772 11.2842 11.3030 13.1865 13.1865 13.1932 13.2033 13.4375 13.4375 15.5600 15.5600 16.0106 16.0106 k = 0.4479 0.2586 0.1829 ( 1841 PWs) bands (ev): -51.6638 -51.6638 -26.0885 -26.0885 -25.2675 -25.2675 -25.2599 -25.2599 2.1774 2.1774 6.0691 6.0691 8.5080 8.5080 8.6063 8.6216 9.8567 9.8567 9.9729 10.0082 10.0228 10.0228 11.2772 11.2772 11.2846 11.3004 13.1932 13.1932 13.2013 13.2098 13.4288 13.4288 15.5371 15.5371 16.0208 16.0208 k = 0.4583 0.2646 0.1871 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0885 -26.0885 -25.2676 -25.2676 -25.2599 -25.2599 2.2075 2.2075 6.0238 6.0238 8.5048 8.5048 8.6049 8.6172 9.8547 9.8547 9.9760 10.0043 10.0216 10.0216 11.2773 11.2773 11.2852 11.2980 13.1988 13.1988 13.2082 13.2150 13.4216 13.4216 15.5185 15.5185 16.0290 16.0290 k = 0.4688 0.2706 0.1914 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0885 -26.0885 -25.2676 -25.2676 -25.2599 -25.2599 2.2316 2.2316 5.9879 5.9879 8.5023 8.5023 8.6043 8.6135 9.8532 9.8532 9.9789 10.0002 10.0205 10.0205 11.2774 11.2774 11.2862 11.2958 13.2032 13.2032 13.2139 13.2190 13.4159 13.4159 15.5040 15.5040 16.0354 16.0354 k = 0.4792 0.2766 0.1956 ( 1841 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2491 2.2491 5.9618 5.9618 8.5005 8.5005 8.6042 8.6104 9.8520 9.8520 9.9820 9.9963 10.0198 10.0198 11.2774 11.2774 11.2873 11.2937 13.2064 13.2064 13.2183 13.2217 13.4118 13.4118 15.4937 15.4937 16.0399 16.0399 k = 0.4896 0.2827 0.1999 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2598 2.2598 5.9461 5.9461 8.4994 8.4994 8.6048 8.6079 9.8513 9.8513 9.9853 9.9924 10.0193 10.0193 11.2775 11.2775 11.2886 11.2918 13.2082 13.2082 13.2212 13.2229 13.4093 13.4093 15.4875 15.4875 16.0426 16.0426 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2634 2.2634 5.9408 5.9408 8.4990 8.4990 8.6060 8.6060 9.8510 9.8510 9.9888 9.9888 10.0192 10.0192 11.2775 11.2775 11.2901 11.2901 13.2089 13.2089 13.2228 13.2228 13.4084 13.4084 15.4854 15.4854 16.0435 16.0435 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2634 2.2634 5.9408 5.9408 8.4990 8.4990 8.6060 8.6060 9.8510 9.8510 9.9888 9.9888 10.0192 10.0192 11.2775 11.2775 11.2901 11.2901 13.2089 13.2089 13.2228 13.2228 13.4084 13.4084 15.4854 15.4854 16.0435 16.0435 k = 0.5037 0.2781 0.2101 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2638 2.2641 5.9412 5.9432 8.4971 8.4996 8.6055 8.6055 9.8497 9.8525 9.9890 9.9890 10.0175 10.0210 11.2746 11.2777 11.2888 11.2889 13.2072 13.2096 13.2223 13.2224 13.4080 13.4085 15.4782 15.4838 16.0320 16.0437 k = 0.5074 0.2674 0.2161 ( 1841 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2654 2.2661 5.9443 5.9483 8.4940 8.4989 8.6042 8.6042 9.8485 9.8543 9.9899 9.9900 10.0159 10.0230 11.2686 11.2752 11.2849 11.2855 13.2041 13.2094 13.2211 13.2217 13.4072 13.4081 15.4621 15.4726 16.0106 16.0310 k = 0.5110 0.2568 0.2221 ( 1834 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2676 -25.2600 -25.2600 2.2682 2.2692 5.9502 5.9561 8.4890 8.4965 8.6022 8.6023 9.8475 9.8561 9.9912 9.9916 10.0146 10.0251 11.2590 11.2693 11.2793 11.2803 13.1991 13.2077 13.2196 13.2212 13.4060 13.4073 15.4365 15.4502 15.9802 16.0037 k = 0.5147 0.2462 0.2281 ( 1832 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2721 2.2734 5.9588 5.9667 8.4820 8.4918 8.6001 8.6003 9.8465 9.8581 9.9928 9.9937 10.0136 10.0274 11.2457 11.2590 11.2728 11.2738 13.1922 13.2039 13.2188 13.2211 13.4044 13.4061 15.4004 15.4154 15.9399 15.9599 k = 0.5184 0.2356 0.2341 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2772 2.2788 5.9700 5.9801 8.4722 8.4843 8.5984 8.5990 9.8455 9.8601 9.9945 9.9965 10.0132 10.0297 11.2288 11.2446 11.2654 11.2658 13.1834 13.1979 13.2187 13.2214 13.4024 13.4044 15.3534 15.3676 15.8876 15.9004 k = 0.5221 0.2250 0.2401 ( 1839 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2602 -25.2602 2.2834 2.2854 5.9840 5.9961 8.4592 8.4735 8.5976 8.5989 9.8445 9.8621 9.9959 9.9998 10.0136 10.0322 11.2084 11.2266 11.2566 11.2569 13.1731 13.1903 13.2193 13.2221 13.3999 13.4022 15.2957 15.3073 15.8229 15.8289 k = 0.5257 0.2144 0.2461 ( 1837 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2603 -25.2603 2.2907 2.2930 6.0005 6.0149 8.4427 8.4589 8.5982 8.6004 9.8436 9.8642 9.9970 10.0038 10.0151 10.0350 11.1849 11.2055 11.2460 11.2471 13.1616 13.1813 13.2203 13.2231 13.3971 13.3996 15.2284 15.2363 15.7485 15.7494 k = 0.5294 0.2038 0.2522 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0886 -25.2677 -25.2675 -25.2604 -25.2604 2.2991 2.3017 6.0197 6.0363 8.4226 8.4406 8.6001 8.6035 9.8424 9.8661 9.9975 10.0084 10.0180 10.0382 11.1584 11.1815 11.2341 11.2360 13.1491 13.1714 13.2216 13.2243 13.3939 13.3965 15.1530 15.1569 15.6649 15.6674 k = 0.5331 0.1932 0.2582 ( 1837 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0887 -25.2677 -25.2675 -25.2605 -25.2605 2.3084 2.3114 6.0414 6.0603 8.3989 8.4187 8.6036 8.6082 9.8411 9.8678 9.9976 10.0135 10.0219 10.0416 11.1292 11.1547 11.2209 11.2236 13.1358 13.1608 13.2232 13.2258 13.3903 13.3931 15.0715 15.0715 15.5774 15.5822 k = 0.5368 0.1825 0.2642 ( 1833 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0887 -25.2677 -25.2675 -25.2607 -25.2606 2.3188 2.3221 6.0656 6.0870 8.3717 8.3935 8.6083 8.6144 9.8394 9.8692 9.9977 10.0192 10.0268 10.0455 11.0977 11.1256 11.2064 11.2100 13.1218 13.1495 13.2251 13.2276 13.3865 13.3893 14.9821 14.9855 15.4883 15.4947 k = 0.5404 0.1719 0.2702 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0888 -25.2677 -25.2675 -25.2608 -25.2608 2.3301 2.3337 6.0923 6.1163 8.3413 8.3650 8.6144 8.6218 9.8374 9.8700 9.9979 10.0253 10.0324 10.0498 11.0640 11.0944 11.1907 11.1952 13.1073 13.1377 13.2272 13.2297 13.3826 13.3853 14.8906 14.8967 15.3984 15.4060 k = 0.5441 0.1613 0.2762 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0891 -26.0888 -25.2677 -25.2674 -25.2609 -25.2609 2.3423 2.3462 6.1213 6.1480 8.3078 8.3337 8.6215 8.6304 9.8349 9.8702 9.9985 10.0317 10.0386 10.0548 11.0286 11.0614 11.1739 11.1794 13.0924 13.1254 13.2296 13.2319 13.3786 13.3811 14.7983 14.8066 15.3083 15.3168 k = 0.5478 0.1507 0.2822 ( 1828 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0888 -25.2677 -25.2674 -25.2611 -25.2611 2.3553 2.3596 6.1527 6.1822 8.2713 8.2996 8.6297 8.6400 9.8319 9.8695 9.9996 10.0384 10.0453 10.0605 10.9916 11.0268 11.1560 11.1626 13.0771 13.1128 13.2324 13.2345 13.3746 13.3769 14.7064 14.7163 15.2186 15.2277 k = 0.5515 0.1401 0.2882 ( 1826 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0889 -25.2677 -25.2674 -25.2613 -25.2612 2.3691 2.3736 6.1862 6.2188 8.2321 8.2630 8.6389 8.6506 9.8282 9.8679 10.0014 10.0454 10.0525 10.0670 10.9535 10.9911 11.1372 11.1449 13.0613 13.0996 13.2354 13.2373 13.3709 13.3727 14.6159 14.6269 15.1295 15.1391 k = 0.5551 0.1295 0.2942 ( 1826 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0890 -25.2677 -25.2673 -25.2614 -25.2614 2.3836 2.3884 6.2219 6.2578 8.1905 8.2242 8.6489 8.6619 9.8239 9.8652 10.0040 10.0524 10.0600 10.0743 10.9144 10.9543 11.1176 11.1265 13.0451 13.0859 13.2388 13.2404 13.3675 13.3687 14.5277 14.5391 15.0412 15.0513 k = 0.5588 0.1189 0.3002 ( 1822 PWs) bands (ev): -51.6637 -51.6637 -26.0894 -26.0890 -25.2677 -25.2673 -25.2616 -25.2616 2.3986 2.4037 6.2595 6.2989 8.1465 8.1834 8.6598 8.6741 9.8188 9.8613 10.0073 10.0596 10.0680 10.0823 10.8748 10.9170 11.0972 11.1074 13.0285 13.0716 13.2425 13.2438 13.3646 13.3649 14.4423 14.4538 14.9540 14.9644 k = 0.5625 0.1083 0.3062 ( 1816 PWs) bands (ev): -51.6636 -51.6636 -26.0895 -26.0891 -25.2677 -25.2673 -25.2618 -25.2617 2.4142 2.4196 6.2989 6.3422 8.1004 8.1409 8.6714 8.6870 9.8129 9.8562 10.0115 10.0669 10.0762 10.0912 10.8348 10.8793 11.0762 11.0878 13.0114 13.0567 13.2465 13.2474 13.3616 13.3623 14.3604 14.3714 14.8678 14.8786 k = 0.5662 0.0976 0.3122 ( 1828 PWs) bands (ev): -51.6636 -51.6636 -26.0895 -26.0891 -25.2677 -25.2672 -25.2620 -25.2619 2.4301 2.4358 6.3400 6.3875 8.0526 8.0969 8.6836 8.7005 9.8061 9.8497 10.0163 10.0742 10.0846 10.1006 10.7948 10.8414 11.0547 11.0677 12.9937 13.0410 13.2508 13.2514 13.3587 13.3607 14.2822 14.2924 14.7830 14.7940 k = 0.5699 0.0870 0.3182 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0896 -26.0892 -25.2677 -25.2672 -25.2622 -25.2621 2.4464 2.4523 6.3825 6.4347 8.0032 8.0518 8.6965 8.7147 9.7985 9.8421 10.0219 10.0817 10.0933 10.1106 10.7550 10.8036 11.0327 11.0473 12.9754 13.0245 13.2555 13.2556 13.3564 13.3600 14.2083 14.2172 14.6994 14.7108 k = 0.5735 0.0764 0.3242 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0893 -25.2677 -25.2672 -25.2624 -25.2622 2.4629 2.4690 6.4262 6.4835 7.9526 8.0061 8.7100 8.7294 9.7902 9.8334 10.0281 10.0893 10.1021 10.1211 10.7157 10.7663 11.0106 11.0268 12.9566 13.0072 13.2602 13.2606 13.3547 13.3602 14.1389 14.1462 14.6173 14.6290 k = 0.5772 0.0658 0.3302 ( 1830 PWs) bands (ev): -51.6636 -51.6636 -26.0898 -26.0893 -25.2677 -25.2672 -25.2625 -25.2624 2.4794 2.4858 6.4708 6.5338 7.9012 7.9601 8.7241 8.7446 9.7811 9.8237 10.0349 10.0970 10.1111 10.1320 10.6772 10.7296 10.9883 11.0063 12.9371 12.9891 13.2651 13.2660 13.3538 13.3614 14.0742 14.0795 14.5366 14.5486 k = 0.5809 0.0552 0.3362 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0894 -25.2678 -25.2672 -25.2627 -25.2626 2.4959 2.5025 6.5159 6.5853 7.8495 7.9143 8.7386 8.7603 9.7714 9.8132 10.0420 10.1047 10.1202 10.1432 10.6396 10.6936 10.9660 10.9859 12.9171 12.9702 13.2703 13.2718 13.3536 13.3637 14.0144 14.0174 14.4576 14.4699 k = 0.5846 0.0446 0.3422 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0895 -25.2678 -25.2671 -25.2629 -25.2627 2.5122 2.5190 6.5611 6.6375 7.7979 7.8694 8.7537 8.7765 9.7611 9.8018 10.0495 10.1123 10.1292 10.1545 10.6032 10.6586 10.9439 10.9657 12.8965 12.9505 13.2758 13.2778 13.3541 13.3670 13.9595 13.9600 14.3801 14.3928 k = 0.5882 0.0340 0.3482 ( 1829 PWs) bands (ev): -51.6636 -51.6636 -26.0900 -26.0895 -25.2678 -25.2671 -25.2630 -25.2629 2.5281 2.5351 6.6058 6.6901 7.7471 7.8262 8.7691 8.7930 9.7502 9.7898 10.0571 10.1196 10.1381 10.1659 10.5682 10.6247 10.9221 10.9459 12.8754 12.9301 13.2816 13.2842 13.3553 13.3713 13.9073 13.9097 14.3043 14.3175 k = 0.5919 0.0233 0.3542 ( 1831 PWs) bands (ev): -51.6636 -51.6636 -26.0901 -26.0896 -25.2678 -25.2671 -25.2632 -25.2630 2.5435 2.5506 6.6493 6.7424 7.6980 7.7855 8.7849 8.8098 9.7391 9.7774 10.0647 10.1264 10.1469 10.1773 10.5347 10.5920 10.9007 10.9266 12.8539 12.9093 13.2875 13.2908 13.3572 13.3765 13.8593 13.8650 14.2303 14.2440 k = 0.5956 0.0127 0.3602 ( 1832 PWs) bands (ev): -51.6636 -51.6635 -26.0901 -26.0896 -25.2678 -25.2671 -25.2633 -25.2631 2.5582 2.5655 6.6907 6.7935 7.6517 7.7483 8.8010 8.8269 9.7278 9.7648 10.0724 10.1327 10.1555 10.1886 10.5031 10.5606 10.8800 10.9079 12.8323 12.8881 13.2936 13.2976 13.3597 13.3825 13.8163 13.8253 14.1583 14.1726 k = 0.5993 0.0021 0.3662 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0897 -25.2678 -25.2671 -25.2635 -25.2632 2.5720 2.5794 6.7289 6.8420 7.6096 7.7160 8.8174 8.8442 9.7165 9.7522 10.0798 10.1380 10.1638 10.1996 10.4736 10.5306 10.8601 10.8901 12.8107 12.8667 13.2998 13.3045 13.3627 13.3892 13.7781 13.7907 14.0883 14.1034 k = 0.6029-0.0085 0.3722 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0898 -25.2678 -25.2671 -25.2636 -25.2634 2.5847 2.5922 6.7629 6.8863 7.5738 7.6898 8.8341 8.8617 9.7055 9.7398 10.0869 10.1421 10.1717 10.2102 10.4466 10.5022 10.8411 10.8731 12.7892 12.8453 13.3058 13.3114 13.3660 13.3964 13.7449 13.7610 14.0206 14.0365 k = 0.6066-0.0191 0.3782 ( 1829 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2679 -25.2671 -25.2637 -25.2635 2.5962 2.6038 6.7913 6.9239 7.5467 7.6714 8.8509 8.8794 9.6949 9.7279 10.0935 10.1445 10.1789 10.2202 10.4223 10.4756 10.8232 10.8571 12.7680 12.8241 13.3114 13.3181 13.3695 13.4036 13.7167 13.7364 13.9553 13.9723 k = 0.6103-0.0297 0.3842 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0899 -25.2679 -25.2672 -25.2638 -25.2635 2.6063 2.6139 6.8130 6.9522 7.5314 7.6619 8.8679 8.8971 9.6849 9.7166 10.0995 10.1449 10.1855 10.2292 10.4015 10.4510 10.8066 10.8422 12.7473 12.8033 13.3164 13.3243 13.3731 13.4106 13.6939 13.7168 13.8929 13.9112 k = 0.6140-0.0403 0.3902 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2679 -25.2672 -25.2639 -25.2636 2.6147 2.6223 6.8272 6.9686 7.5305 7.6625 8.8850 8.9148 9.6757 9.7063 10.1045 10.1428 10.1909 10.2368 10.3846 10.4287 10.7914 10.8283 12.7272 12.7831 13.3203 13.3297 13.3765 13.4170 13.6765 13.7021 13.8339 13.8538 k = 0.6176-0.0509 0.3962 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2679 -25.2672 -25.2639 -25.2637 2.6212 2.6287 6.8337 6.9724 7.5450 7.6735 8.9021 8.9325 9.6677 9.6971 10.1084 10.1378 10.1950 10.2427 10.3725 10.4091 10.7777 10.8158 12.7080 12.7636 13.3226 13.3336 13.3798 13.4224 13.6647 13.6920 13.7788 13.8008 k = 0.6213-0.0616 0.4022 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2672 -25.2640 -25.2637 2.6256 2.6331 6.8330 6.9646 7.5740 7.6945 8.9192 8.9501 9.6608 9.6892 10.1110 10.1297 10.1974 10.2463 10.3653 10.3928 10.7656 10.8044 12.6897 12.7449 13.3222 13.3353 13.3829 13.4263 13.6587 13.6862 13.7288 13.7534 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6149 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7273 13.3184 13.3334 13.3858 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6149 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7273 13.3184 13.3334 13.3858 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.6188-0.0686 0.4185 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6280 2.6355 6.8271 6.9492 7.6152 7.7251 8.9342 8.9656 9.6550 9.6831 10.1111 10.1184 10.1971 10.2478 10.3613 10.3764 10.7588 10.7965 12.6736 12.7285 13.3175 13.3323 13.3855 13.4286 13.6547 13.6759 13.6882 13.7155 k = 0.6125-0.0650 0.4287 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6289 2.6364 6.8300 6.9523 7.6159 7.7259 8.9281 8.9599 9.6534 9.6833 10.1090 10.1178 10.1955 10.2480 10.3557 10.3654 10.7693 10.8031 12.6774 12.7322 13.3147 13.3291 13.3845 13.4273 13.6462 13.6633 13.6902 13.7160 k = 0.6062-0.0613 0.4389 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6304 2.6379 6.8347 6.9574 7.6171 7.7273 8.9179 8.9504 9.6509 9.6836 10.1055 10.1168 10.1929 10.2483 10.3451 10.3511 10.7850 10.8134 12.6836 12.7383 13.3101 13.3239 13.3827 13.4249 13.6337 13.6462 13.6909 13.7153 k = 0.6000-0.0577 0.4491 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2672 -25.2640 -25.2638 2.6324 2.6399 6.8413 6.9647 7.6186 7.7291 8.9039 8.9371 9.6477 9.6839 10.1006 10.1155 10.1893 10.2486 10.3259 10.3397 10.8040 10.8268 12.6923 12.7467 13.3039 13.3170 13.3796 13.4213 13.6182 13.6261 13.6904 13.7132 k = 0.5938-0.0541 0.4593 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2672 -25.2641 -25.2638 2.6350 2.6425 6.8496 6.9739 7.6203 7.7312 8.8861 8.9200 9.6441 9.6839 10.0945 10.1138 10.1847 10.2484 10.3038 10.3290 10.8246 10.8425 12.7033 12.7574 13.2960 13.3086 13.3749 13.4161 13.5998 13.6053 13.6885 13.7099 k = 0.5875-0.0505 0.4695 ( 1831 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2672 -25.2641 -25.2639 2.6380 2.6456 6.8597 6.9851 7.6220 7.7336 8.8647 8.8993 9.6402 9.6837 10.0873 10.1117 10.1791 10.2471 10.2823 10.3185 10.8449 10.8603 12.7166 12.7702 13.2867 13.2988 13.3682 13.4090 13.5783 13.5866 13.6855 13.7057 k = 0.5813-0.0469 0.4797 ( 1833 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2672 -25.2641 -25.2639 2.6415 2.6491 6.8715 6.9983 7.6234 7.7359 8.8401 8.8750 9.6362 9.6834 10.0793 10.1092 10.1725 10.2415 10.2657 10.3087 10.8640 10.8797 12.7320 12.7850 13.2761 13.2878 13.3592 13.3997 13.5564 13.5697 13.6813 13.7007 k = 0.5750-0.0433 0.4899 ( 1829 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2671 -25.2642 -25.2640 2.6453 2.6531 6.8847 7.0135 7.6244 7.7381 8.8128 8.8477 9.6323 9.6828 10.0709 10.1065 10.1646 10.2281 10.2589 10.3000 10.8814 10.8997 12.7494 12.8015 13.2644 13.2759 13.3477 13.3880 13.5361 13.5545 13.6760 13.6953 k = 0.5687-0.0397 0.5001 ( 1831 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2671 -25.2642 -25.2640 2.6495 2.6573 6.8994 7.0305 7.6246 7.7399 8.7832 8.8178 9.6285 9.6820 10.0623 10.1035 10.1553 10.2124 10.2570 10.2926 10.8974 10.9192 12.7687 12.8196 13.2519 13.2633 13.3339 13.3742 13.5180 13.5414 13.6699 13.6895 k = 0.5625-0.0361 0.5103 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2679 -25.2671 -25.2643 -25.2641 2.6539 2.6618 6.9153 7.0493 7.6235 7.7410 8.7521 8.7860 9.6251 9.6810 10.0542 10.1002 10.1448 10.1984 10.2564 10.2863 10.9121 10.9376 12.7895 12.8389 13.2390 13.2501 13.3181 13.3587 13.5026 13.5303 13.6630 13.6835 k = 0.5563-0.0325 0.5205 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2670 -25.2643 -25.2641 2.6585 2.6664 6.9323 7.0698 7.6209 7.7411 8.7203 8.7531 9.6219 9.6799 10.0467 10.0967 10.1337 10.1868 10.2562 10.2813 10.9255 10.9544 12.8116 12.8591 13.2260 13.2367 13.3011 13.3421 13.4896 13.5211 13.6555 13.6774 k = 0.5500-0.0289 0.5307 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2670 -25.2643 -25.2642 2.6631 2.6712 6.9499 7.0919 7.6161 7.7400 8.6886 8.7201 9.6192 9.6788 10.0402 10.0928 10.1230 10.1772 10.2559 10.2774 10.9375 10.9695 12.8346 12.8797 13.2135 13.2236 13.2833 13.3251 13.4785 13.5133 13.6476 13.6713 k = 0.5437-0.0253 0.5409 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2670 -25.2644 -25.2642 2.6677 2.6758 6.9680 7.1154 7.6089 7.7374 8.6580 8.6881 9.6168 9.6775 10.0350 10.0887 10.1136 10.1689 10.2557 10.2744 10.9480 10.9827 12.8581 12.9004 13.2019 13.2110 13.2656 13.3082 13.4690 13.5067 13.6396 13.6652 k = 0.5375-0.0217 0.5511 ( 1836 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2678 -25.2669 -25.2644 -25.2643 2.6721 2.6803 6.9860 7.1400 7.5989 7.7333 8.6296 8.6582 9.6147 9.6763 10.0309 10.0842 10.1060 10.1616 10.2553 10.2722 10.9569 10.9940 12.8815 12.9203 13.1917 13.1995 13.2485 13.2919 13.4606 13.5009 13.6317 13.6594 k = 0.5312-0.0180 0.5613 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2678 -25.2669 -25.2645 -25.2643 2.6763 2.6845 7.0035 7.1654 7.5860 7.7277 8.6043 8.6314 9.6130 9.6751 10.0283 10.0794 10.1006 10.1549 10.2549 10.2706 10.9644 11.0034 12.9041 12.9388 13.1831 13.1899 13.2325 13.2767 13.4532 13.4958 13.6241 13.6539 k = 0.5250-0.0144 0.5715 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2669 -25.2645 -25.2643 2.6800 2.6883 7.0197 7.1908 7.5706 7.7209 8.5829 8.6085 9.6116 9.6740 10.0269 10.0747 10.0972 10.1489 10.2545 10.2695 10.9705 11.0109 12.9250 12.9551 13.1759 13.1829 13.2183 13.2630 13.4466 13.4912 13.6172 13.6489 k = 0.5188-0.0108 0.5818 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2669 -25.2645 -25.2644 2.6832 2.6916 7.0339 7.2153 7.5534 7.7136 8.5659 8.5903 9.6104 9.6730 10.0265 10.0704 10.0955 10.1435 10.2541 10.2688 10.9751 11.0166 12.9430 12.9684 13.1700 13.1791 13.2065 13.2512 13.4410 13.4872 13.6112 13.6446 k = 0.5125-0.0072 0.5920 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6856 2.6941 7.0452 7.2369 7.5365 7.7067 8.5538 8.5772 9.6096 9.6722 10.0270 10.0668 10.0951 10.1389 10.2538 10.2683 10.9782 11.0205 12.9569 12.9781 13.1655 13.1777 13.1980 13.2422 13.4364 13.4840 13.6065 13.6413 k = 0.5062-0.0036 0.6022 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6872 2.6957 7.0526 7.2528 7.5230 7.7016 8.5467 8.5694 9.6090 9.6717 10.0279 10.0642 10.0954 10.1356 10.2536 10.2680 10.9801 11.0228 12.9655 12.9838 13.1627 13.1775 13.1931 13.2368 13.4333 13.4819 13.6033 13.6391 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6878 2.6963 7.0553 7.2589 7.5175 7.6996 8.5444 8.5669 9.6087 9.6713 10.0281 10.0630 10.0956 10.1342 10.2534 10.2678 10.9806 11.0235 12.9683 12.9856 13.1617 13.1776 13.1916 13.2350 13.4321 13.4810 13.6021 13.6382 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6878 2.6963 7.0553 7.2589 7.5175 7.6996 8.5444 8.5669 9.6087 9.6713 10.0281 10.0630 10.0956 10.1342 10.2534 10.2678 10.9806 11.0235 12.9683 12.9856 13.1617 13.1776 13.1916 13.2350 13.4321 13.4810 13.6021 13.6382 k = 0.5000 0.0074 0.6019 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2646 -25.2644 2.6870 2.6955 7.0535 7.2572 7.5164 7.6986 8.5467 8.5697 9.6093 9.6719 10.0289 10.0638 10.0967 10.1354 10.2535 10.2679 10.9805 11.0232 12.9685 12.9861 13.1595 13.1785 13.1956 13.2353 13.4343 13.4827 13.6040 13.6395 k = 0.5000 0.0148 0.5914 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2677 -25.2668 -25.2645 -25.2644 2.6845 2.6930 7.0483 7.2515 7.5136 7.6957 8.5535 8.5778 9.6106 9.6733 10.0305 10.0658 10.0993 10.1391 10.2537 10.2680 10.9796 11.0220 12.9690 12.9872 13.1541 13.1809 13.2057 13.2366 13.4408 13.4875 13.6095 13.6432 k = 0.5000 0.0222 0.5810 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2677 -25.2668 -25.2645 -25.2643 2.6805 2.6889 7.0393 7.2406 7.5108 7.6919 8.5641 8.5904 9.6131 9.6756 10.0325 10.0697 10.1025 10.1464 10.2538 10.2683 10.9784 11.0202 12.9700 12.9892 13.1471 13.1828 13.2201 13.2412 13.4512 13.4949 13.6190 13.6496 k = 0.5000 0.0296 0.5705 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0900 -25.2677 -25.2668 -25.2645 -25.2643 2.6749 2.6833 7.0261 7.2233 7.5105 7.6884 8.5778 8.6064 9.6168 9.6790 10.0342 10.0757 10.1052 10.1580 10.2536 10.2693 10.9768 11.0177 12.9717 12.9921 13.1392 13.1820 13.2378 13.2511 13.4653 13.5046 13.6326 13.6590 k = 0.5000 0.0370 0.5600 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2677 -25.2669 -25.2644 -25.2642 2.6678 2.6761 7.0085 7.1985 7.5146 7.6864 8.5934 8.6243 9.6219 9.6834 10.0352 10.0834 10.1074 10.1741 10.2529 10.2716 10.9751 11.0149 12.9746 12.9960 13.1307 13.1781 13.2578 13.2666 13.4830 13.5164 13.6506 13.6720 k = 0.5000 0.0444 0.5496 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2677 -25.2669 -25.2643 -25.2641 2.6592 2.6675 6.9862 7.1662 7.5242 7.6871 8.6098 8.6429 9.6287 9.6891 10.0353 10.0911 10.1103 10.1942 10.2517 10.2763 10.9734 11.0119 12.9786 13.0010 13.1220 13.1721 13.2788 13.2862 13.5043 13.5309 13.6727 13.6890 k = 0.5000 0.0518 0.5391 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0899 -25.2677 -25.2669 -25.2642 -25.2640 2.6494 2.6576 6.9592 7.1270 7.5396 7.6916 8.6262 8.6611 9.6371 9.6959 10.0347 10.0960 10.1159 10.2171 10.2504 10.2842 10.9720 11.0090 12.9838 13.0071 13.1134 13.1649 13.2998 13.3076 13.5297 13.5491 13.6984 13.7109 k = 0.5000 0.0592 0.5286 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2677 -25.2669 -25.2641 -25.2639 2.6382 2.6464 6.9276 7.0824 7.5603 7.7003 8.6416 8.6778 9.6472 9.7041 10.0337 10.0973 10.1239 10.2354 10.2560 10.2964 10.9712 11.0065 12.9904 13.0142 13.1052 13.1573 13.3198 13.3283 13.5600 13.5725 13.7268 13.7385 k = 0.5000 0.0666 0.5182 ( 1826 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2677 -25.2669 -25.2640 -25.2638 2.6259 2.6340 6.8918 7.0335 7.5856 7.7137 8.6554 8.6924 9.6589 9.7134 10.0322 10.0966 10.1316 10.2363 10.2807 10.3140 10.9711 11.0045 12.9982 13.0223 13.0975 13.1499 13.3376 13.3467 13.5961 13.6024 13.7579 13.7716 k = 0.5000 0.0740 0.5077 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2677 -25.2669 -25.2639 -25.2637 2.6126 2.6205 6.8524 6.9815 7.6149 7.7315 8.6671 8.7044 9.6717 9.7238 10.0304 10.0950 10.1371 10.2317 10.3116 10.3380 10.9720 11.0034 13.0071 13.0311 13.0907 13.1430 13.3523 13.3616 13.6383 13.6401 13.7925 13.8091 k = 0.5000 0.0814 0.4972 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2677 -25.2669 -25.2638 -25.2636 2.5984 2.6062 6.8100 6.9275 7.6477 7.7536 8.6766 8.7136 9.6855 9.7350 10.0283 10.0927 10.1400 10.2255 10.3446 10.3684 10.9741 11.0034 13.0170 13.0404 13.0849 13.1368 13.3635 13.3731 13.6848 13.6878 13.8308 13.8504 k = 0.5000 0.0888 0.4868 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0897 -25.2677 -25.2670 -25.2636 -25.2634 2.5834 2.5910 6.7654 6.8722 7.6834 7.7796 8.6836 8.7199 9.6997 9.7470 10.0261 10.0901 10.1403 10.2182 10.3795 10.4043 10.9776 11.0048 13.0274 13.0497 13.0806 13.1318 13.3715 13.3814 13.7377 13.7431 13.8731 13.8950 k = 0.5000 0.0962 0.4763 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0896 -25.2677 -25.2670 -25.2635 -25.2633 2.5677 2.5752 6.7191 6.8162 7.7216 7.8091 8.6882 8.7234 9.7142 9.7594 10.0238 10.0871 10.1383 10.2099 10.4169 10.4439 10.9825 11.0076 13.0377 13.0583 13.0788 13.1283 13.3768 13.3871 13.7974 13.8043 13.9193 13.9426 k = 0.5000 0.1036 0.4658 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0901 -26.0896 -25.2677 -25.2670 -25.2633 -25.2631 2.5515 2.5587 6.6717 6.7602 7.7619 7.8415 8.6905 8.7244 9.7284 9.7719 10.0213 10.0838 10.1345 10.2006 10.4566 10.4860 10.9888 11.0120 13.0463 13.0660 13.0804 13.1269 13.3799 13.3907 13.8635 13.8708 13.9693 13.9931 k = 0.5000 0.1110 0.4554 ( 1828 PWs) bands (ev): -51.6636 -51.6636 -26.0900 -26.0895 -25.2677 -25.2670 -25.2631 -25.2630 2.5348 2.5419 6.6238 6.7044 7.8038 7.8764 8.6908 8.7230 9.7422 9.7844 10.0188 10.0803 10.1293 10.1907 10.4986 10.5300 10.9968 11.0182 13.0510 13.0751 13.0844 13.1283 13.3813 13.3928 13.9355 13.9422 14.0232 14.0465 k = 0.5000 0.1184 0.4449 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0895 -25.2677 -25.2671 -25.2629 -25.2628 2.5178 2.5247 6.5758 6.6494 7.8470 7.9133 8.6891 8.7197 9.7552 9.7966 10.0163 10.0766 10.1230 10.1800 10.5423 10.5751 11.0062 11.0260 13.0528 13.0864 13.0884 13.1330 13.3816 13.3936 14.0129 14.0174 14.0815 14.1026 k = 0.5000 0.1258 0.4344 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0894 -25.2677 -25.2671 -25.2628 -25.2626 2.5007 2.5074 6.5280 6.5953 7.8911 7.9518 8.6859 8.7147 9.7674 9.8082 10.0138 10.0726 10.1159 10.1687 10.5872 10.6210 11.0171 11.0356 13.0537 13.0911 13.0991 13.1406 13.3810 13.3935 14.0945 14.0956 14.1455 14.1613 k = 0.5000 0.1332 0.4240 ( 1822 PWs) bands (ev): -51.6636 -51.6636 -26.0898 -26.0893 -25.2677 -25.2671 -25.2626 -25.2625 2.4835 2.4900 6.4809 6.5425 7.9357 7.9914 8.6813 8.7084 9.7786 9.8191 10.0113 10.0685 10.1082 10.1570 10.6329 10.6674 11.0293 11.0468 13.0549 13.0933 13.1122 13.1501 13.3799 13.3929 14.1708 14.1827 14.2171 14.2236 k = 0.5000 0.1406 0.4135 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0893 -25.2677 -25.2672 -25.2624 -25.2623 2.4664 2.4726 6.4348 6.4911 7.9806 8.0317 8.6756 8.7009 9.7887 9.8291 10.0089 10.0642 10.1002 10.1450 10.6790 10.7137 11.0426 11.0594 13.0568 13.0954 13.1253 13.1603 13.3785 13.3918 14.2437 14.2741 14.2857 14.3020 k = 0.5000 0.1480 0.4030 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0896 -26.0892 -25.2677 -25.2672 -25.2622 -25.2621 2.4495 2.4554 6.3898 6.4414 8.0254 8.0723 8.6691 8.6926 9.7978 9.8380 10.0067 10.0598 10.0920 10.1328 10.7250 10.7598 11.0570 11.0733 13.0597 13.0979 13.1380 13.1707 13.3772 13.3905 14.3151 14.3508 14.3713 14.3930 k = 0.5000 0.1554 0.3925 ( 1820 PWs) bands (ev): -51.6636 -51.6636 -26.0896 -26.0891 -25.2677 -25.2672 -25.2620 -25.2619 2.4328 2.4385 6.3463 6.3934 8.0697 8.1129 8.6620 8.6838 9.8059 9.8460 10.0045 10.0553 10.0840 10.1207 10.7708 10.8054 11.0723 11.0882 13.0636 13.1011 13.1503 13.1807 13.3760 13.3892 14.3870 14.4192 14.4712 14.4900 k = 0.5000 0.1628 0.3821 ( 1826 PWs) bands (ev): -51.6637 -51.6636 -26.0895 -26.0891 -25.2677 -25.2673 -25.2618 -25.2618 2.4164 2.4219 6.3043 6.3475 8.1132 8.1530 8.6544 8.6745 9.8129 9.8527 10.0026 10.0507 10.0760 10.1088 10.8158 10.8501 11.0882 11.1039 13.0686 13.1051 13.1617 13.1900 13.3752 13.3881 14.4604 14.4895 14.5749 14.5915 k = 0.5000 0.1702 0.3716 ( 1828 PWs) bands (ev): -51.6637 -51.6637 -26.0894 -26.0890 -25.2677 -25.2673 -25.2616 -25.2616 2.4006 2.4057 6.2642 6.3036 8.1556 8.1923 8.6467 8.6650 9.8190 9.8583 10.0008 10.0460 10.0683 10.0973 10.8599 10.8938 11.1046 11.1201 13.0746 13.1099 13.1723 13.1983 13.3749 13.3873 14.5355 14.5616 14.6820 14.6965 k = 0.5000 0.1776 0.3611 ( 1828 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0890 -25.2677 -25.2673 -25.2615 -25.2614 2.3853 2.3901 6.2259 6.2618 8.1967 8.2305 8.6389 8.6556 9.8242 9.8627 9.9994 10.0415 10.0609 10.0864 10.9029 10.9363 11.1214 11.1366 13.0817 13.1156 13.1817 13.2055 13.3753 13.3869 14.6124 14.6355 14.7919 14.8046 k = 0.5000 0.1850 0.3507 ( 1830 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0889 -25.2677 -25.2674 -25.2613 -25.2612 2.3706 2.3751 6.1897 6.2224 8.2361 8.2672 8.6313 8.6463 9.8285 9.8659 9.9982 10.0370 10.0537 10.0763 10.9447 10.9772 11.1382 11.1531 13.0897 13.1222 13.1900 13.2114 13.3764 13.3870 14.6909 14.7108 14.9044 14.9152 k = 0.5000 0.1925 0.3402 ( 1830 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0888 -25.2677 -25.2674 -25.2611 -25.2611 2.3566 2.3608 6.1557 6.1853 8.2735 8.3022 8.6241 8.6374 9.8321 9.8680 9.9973 10.0327 10.0465 10.0672 10.9849 11.0165 11.1548 11.1693 13.0987 13.1295 13.1971 13.2161 13.3782 13.3877 14.7707 14.7873 15.0186 15.0277 k = 0.5000 0.1999 0.3297 ( 1838 PWs) bands (ev): -51.6637 -51.6637 -26.0891 -26.0888 -25.2677 -25.2674 -25.2610 -25.2609 2.3434 2.3473 6.1239 6.1507 8.3087 8.3351 8.6173 8.6290 9.8351 9.8691 9.9967 10.0285 10.0392 10.0593 11.0233 11.0538 11.1711 11.1851 13.1084 13.1375 13.2028 13.2194 13.3807 13.3889 14.8515 14.8646 15.1340 15.1415 k = 0.5000 0.2073 0.3193 ( 1840 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0888 -25.2677 -25.2674 -25.2608 -25.2608 2.3310 2.3346 6.0944 6.1185 8.3414 8.3657 8.6112 8.6212 9.8375 9.8692 9.9964 10.0247 10.0320 10.0527 11.0599 11.0891 11.1869 11.2001 13.1188 13.1461 13.2073 13.2216 13.3836 13.3907 14.9327 14.9421 15.2492 15.2563 k = 0.5000 0.2147 0.3088 ( 1842 PWs) bands (ev): -51.6638 -51.6638 -26.0890 -26.0887 -25.2677 -25.2675 -25.2607 -25.2607 2.3196 2.3229 6.0674 6.0889 8.3714 8.3936 8.6059 8.6144 9.8395 9.8687 9.9963 10.0211 10.0249 10.0473 11.0945 11.1220 11.2020 11.2144 13.1298 13.1551 13.2107 13.2229 13.3869 13.3928 15.0135 15.0192 15.3632 15.3714 k = 0.5000 0.2221 0.2983 ( 1842 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0887 -25.2677 -25.2675 -25.2605 -25.2605 2.3090 2.3120 6.0428 6.0619 8.3983 8.4186 8.6018 8.6086 9.8411 9.8676 9.9962 10.0176 10.0186 10.0427 11.1267 11.1525 11.2162 11.2276 13.1410 13.1643 13.2132 13.2234 13.3903 13.3952 15.0924 15.0955 15.4747 15.4856 k = 0.5000 0.2295 0.2879 ( 1842 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0886 -25.2677 -25.2675 -25.2604 -25.2604 2.2995 2.3022 6.0208 6.0375 8.4219 8.4403 8.5988 8.6041 9.8424 9.8660 9.9961 10.0117 10.0157 10.0388 11.1563 11.1802 11.2293 11.2397 13.1523 13.1735 13.2149 13.2233 13.3937 13.3977 15.1666 15.1713 15.5824 15.5973 k = 0.5000 0.2369 0.2774 ( 1836 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2603 -25.2603 2.2911 2.2934 6.0014 6.0158 8.4421 8.4586 8.5972 8.6010 9.8435 9.8642 9.9957 10.0062 10.0140 10.0354 11.1833 11.2050 11.2414 11.2505 13.1634 13.1825 13.2159 13.2229 13.3969 13.4002 15.2356 15.2440 15.6846 15.7041 k = 0.5000 0.2443 0.2669 ( 1838 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2602 -25.2602 2.2837 2.2857 5.9846 5.9968 8.4587 8.4732 8.5969 8.5994 9.8445 9.8622 9.9949 10.0014 10.0131 10.0325 11.2072 11.2267 11.2522 11.2601 13.1740 13.1908 13.2166 13.2224 13.3998 13.4024 15.2986 15.3105 15.7786 15.8030 k = 0.5000 0.2517 0.2565 ( 1834 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2774 2.2790 5.9704 5.9806 8.4718 8.4841 8.5978 8.5994 9.8455 9.8602 9.9938 9.9975 10.0130 10.0299 11.2279 11.2450 11.2618 11.2683 13.1837 13.1982 13.2172 13.2218 13.4023 13.4045 15.3539 15.3682 15.8611 15.8892 k = 0.5000 0.2591 0.2460 ( 1834 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2722 2.2736 5.9590 5.9670 8.4817 8.4917 8.5997 8.6005 9.8465 9.8581 9.9924 9.9942 10.0136 10.0274 11.2451 11.2594 11.2703 11.2752 13.1922 13.2040 13.2180 13.2214 13.4043 13.4061 15.4000 15.4151 15.9280 15.9570 k = 0.5000 0.2665 0.2355 ( 1834 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2676 -25.2600 -25.2600 2.2682 2.2692 5.9503 5.9563 8.4889 8.4964 8.6020 8.6024 9.8475 9.8562 9.9910 9.9918 10.0146 10.0252 11.2587 11.2694 11.2780 11.2810 13.1991 13.2077 13.2193 13.2214 13.4060 13.4073 15.4360 15.4498 15.9767 16.0032 k = 0.5000 0.2739 0.2251 ( 1840 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2654 2.2661 5.9444 5.9484 8.4939 8.4989 8.6041 8.6042 9.8485 9.8543 9.9899 9.9901 10.0159 10.0231 11.2684 11.2752 11.2846 11.2857 13.2040 13.2094 13.2210 13.2218 13.4072 13.4081 15.4619 15.4723 16.0099 16.0308 k = 0.5000 0.2813 0.2146 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2638 2.2641 5.9412 5.9432 8.4971 8.4996 8.6055 8.6055 9.8497 9.8526 9.9890 9.9891 10.0174 10.0210 11.2745 11.2777 11.2888 11.2889 13.2072 13.2096 13.2223 13.2224 13.4080 13.4085 15.4781 15.4838 16.0318 16.0436 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2634 2.2634 5.9408 5.9408 8.4990 8.4990 8.6060 8.6060 9.8510 9.8510 9.9888 9.9888 10.0192 10.0192 11.2775 11.2775 11.2901 11.2901 13.2089 13.2089 13.2228 13.2228 13.4084 13.4084 15.4854 15.4854 16.0435 16.0435 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2599 -25.2599 2.2634 2.2634 5.9408 5.9408 8.4990 8.4990 8.6060 8.6060 9.8510 9.8510 9.9888 9.9888 10.0192 10.0192 11.2775 11.2775 11.2901 11.2901 13.2089 13.2089 13.2228 13.2228 13.4084 13.4084 15.4854 15.4854 16.0435 16.0435 k = 0.4963 0.2866 0.2161 ( 1850 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2638 2.2641 5.9412 5.9432 8.4971 8.4996 8.6055 8.6055 9.8497 9.8525 9.9890 9.9890 10.0175 10.0210 11.2746 11.2777 11.2888 11.2889 13.2072 13.2096 13.2223 13.2224 13.4080 13.4085 15.4782 15.4838 16.0320 16.0436 k = 0.4926 0.2844 0.2281 ( 1841 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2677 -25.2600 -25.2600 2.2654 2.2661 5.9443 5.9483 8.4940 8.4989 8.6042 8.6042 9.8485 9.8543 9.9899 9.9900 10.0159 10.0230 11.2686 11.2752 11.2849 11.2855 13.2041 13.2094 13.2211 13.2217 13.4072 13.4081 15.4621 15.4726 16.0106 16.0310 k = 0.4890 0.2823 0.2401 ( 1834 PWs) bands (ev): -51.6638 -51.6638 -26.0886 -26.0886 -25.2677 -25.2676 -25.2600 -25.2600 2.2682 2.2692 5.9502 5.9561 8.4890 8.4965 8.6022 8.6023 9.8475 9.8561 9.9912 9.9916 10.0146 10.0251 11.2590 11.2693 11.2793 11.2803 13.1991 13.2077 13.2196 13.2212 13.4060 13.4073 15.4365 15.4502 15.9802 16.0037 k = 0.4853 0.2802 0.2522 ( 1832 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2721 2.2734 5.9588 5.9667 8.4820 8.4918 8.6001 8.6003 9.8465 9.8581 9.9928 9.9937 10.0136 10.0274 11.2457 11.2590 11.2728 11.2738 13.1922 13.2039 13.2188 13.2211 13.4044 13.4061 15.4004 15.4154 15.9399 15.9599 k = 0.4816 0.2781 0.2642 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0887 -26.0886 -25.2677 -25.2676 -25.2601 -25.2601 2.2772 2.2788 5.9700 5.9801 8.4722 8.4843 8.5984 8.5990 9.8455 9.8601 9.9945 9.9965 10.0132 10.0297 11.2288 11.2446 11.2654 11.2658 13.1834 13.1979 13.2187 13.2214 13.4024 13.4044 15.3534 15.3676 15.8876 15.9004 k = 0.4779 0.2759 0.2762 ( 1839 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2602 -25.2602 2.2834 2.2854 5.9840 5.9961 8.4592 8.4735 8.5976 8.5989 9.8445 9.8621 9.9959 9.9998 10.0136 10.0322 11.2084 11.2266 11.2566 11.2569 13.1731 13.1902 13.2193 13.2221 13.3999 13.4022 15.2957 15.3073 15.8229 15.8289 k = 0.4743 0.2738 0.2882 ( 1837 PWs) bands (ev): -51.6638 -51.6638 -26.0888 -26.0886 -25.2677 -25.2676 -25.2603 -25.2603 2.2907 2.2930 6.0005 6.0149 8.4427 8.4589 8.5982 8.6004 9.8436 9.8642 9.9970 10.0038 10.0151 10.0350 11.1849 11.2055 11.2460 11.2471 13.1616 13.1813 13.2203 13.2231 13.3971 13.3996 15.2284 15.2363 15.7485 15.7494 k = 0.4706 0.2717 0.3002 ( 1835 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0886 -25.2677 -25.2675 -25.2604 -25.2604 2.2991 2.3017 6.0197 6.0363 8.4226 8.4406 8.6001 8.6035 9.8424 9.8661 9.9975 10.0084 10.0180 10.0382 11.1584 11.1815 11.2341 11.2360 13.1491 13.1714 13.2216 13.2243 13.3939 13.3965 15.1531 15.1569 15.6649 15.6674 k = 0.4669 0.2696 0.3122 ( 1837 PWs) bands (ev): -51.6638 -51.6638 -26.0889 -26.0887 -25.2677 -25.2675 -25.2605 -25.2605 2.3084 2.3114 6.0414 6.0603 8.3989 8.4187 8.6036 8.6082 9.8411 9.8678 9.9976 10.0135 10.0219 10.0416 11.1292 11.1547 11.2209 11.2236 13.1358 13.1607 13.2232 13.2259 13.3903 13.3931 15.0715 15.0715 15.5774 15.5822 k = 0.4632 0.2674 0.3242 ( 1833 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0887 -25.2677 -25.2675 -25.2607 -25.2606 2.3188 2.3221 6.0656 6.0870 8.3718 8.3935 8.6083 8.6144 9.8394 9.8692 9.9977 10.0192 10.0268 10.0455 11.0977 11.1256 11.2064 11.2100 13.1218 13.1495 13.2251 13.2277 13.3865 13.3893 14.9821 14.9855 15.4883 15.4947 k = 0.4596 0.2653 0.3362 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0890 -26.0888 -25.2677 -25.2675 -25.2608 -25.2608 2.3301 2.3337 6.0923 6.1163 8.3413 8.3650 8.6144 8.6218 9.8374 9.8700 9.9979 10.0253 10.0324 10.0498 11.0640 11.0944 11.1907 11.1952 13.1073 13.1377 13.2272 13.2297 13.3826 13.3853 14.8906 14.8967 15.3984 15.4060 k = 0.4559 0.2632 0.3482 ( 1832 PWs) bands (ev): -51.6637 -51.6637 -26.0891 -26.0888 -25.2677 -25.2674 -25.2609 -25.2609 2.3423 2.3462 6.1213 6.1480 8.3078 8.3337 8.6215 8.6304 9.8349 9.8702 9.9985 10.0317 10.0386 10.0548 11.0286 11.0614 11.1739 11.1794 13.0924 13.1254 13.2296 13.2320 13.3786 13.3811 14.7983 14.8066 15.3083 15.3168 k = 0.4522 0.2611 0.3602 ( 1828 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0888 -25.2677 -25.2674 -25.2611 -25.2611 2.3553 2.3596 6.1527 6.1822 8.2713 8.2996 8.6297 8.6400 9.8319 9.8695 9.9996 10.0384 10.0453 10.0605 10.9916 11.0268 11.1560 11.1626 13.0770 13.1128 13.2324 13.2345 13.3746 13.3769 14.7064 14.7163 15.2186 15.2277 k = 0.4485 0.2590 0.3722 ( 1826 PWs) bands (ev): -51.6637 -51.6637 -26.0892 -26.0889 -25.2677 -25.2674 -25.2613 -25.2612 2.3691 2.3736 6.1862 6.2188 8.2321 8.2630 8.6389 8.6506 9.8282 9.8679 10.0014 10.0454 10.0525 10.0670 10.9535 10.9911 11.1372 11.1449 13.0613 13.0996 13.2354 13.2373 13.3709 13.3727 14.6159 14.6269 15.1295 15.1391 k = 0.4449 0.2568 0.3842 ( 1826 PWs) bands (ev): -51.6637 -51.6637 -26.0893 -26.0890 -25.2677 -25.2673 -25.2614 -25.2614 2.3836 2.3884 6.2219 6.2578 8.1905 8.2242 8.6489 8.6619 9.8239 9.8652 10.0040 10.0524 10.0600 10.0743 10.9144 10.9543 11.1176 11.1265 13.0451 13.0859 13.2388 13.2404 13.3675 13.3687 14.5277 14.5391 15.0412 15.0513 k = 0.4412 0.2547 0.3962 ( 1822 PWs) bands (ev): -51.6637 -51.6637 -26.0894 -26.0890 -25.2677 -25.2673 -25.2616 -25.2616 2.3986 2.4037 6.2595 6.2989 8.1465 8.1835 8.6598 8.6741 9.8188 9.8613 10.0073 10.0596 10.0680 10.0823 10.8748 10.9170 11.0972 11.1074 13.0285 13.0716 13.2425 13.2438 13.3646 13.3649 14.4423 14.4538 14.9540 14.9644 k = 0.4375 0.2526 0.4082 ( 1816 PWs) bands (ev): -51.6636 -51.6636 -26.0895 -26.0891 -25.2677 -25.2673 -25.2618 -25.2617 2.4142 2.4196 6.2989 6.3422 8.1005 8.1409 8.6714 8.6870 9.8129 9.8562 10.0115 10.0669 10.0762 10.0912 10.8348 10.8793 11.0762 11.0878 13.0114 13.0567 13.2465 13.2475 13.3616 13.3623 14.3604 14.3714 14.8678 14.8786 k = 0.4338 0.2505 0.4203 ( 1828 PWs) bands (ev): -51.6636 -51.6636 -26.0895 -26.0891 -25.2677 -25.2672 -25.2620 -25.2619 2.4301 2.4358 6.3400 6.3875 8.0526 8.0969 8.6836 8.7005 9.8061 9.8497 10.0163 10.0742 10.0846 10.1006 10.7948 10.8413 11.0547 11.0677 12.9937 13.0410 13.2509 13.2514 13.3587 13.3607 14.2822 14.2924 14.7830 14.7940 k = 0.4301 0.2483 0.4323 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0896 -26.0892 -25.2677 -25.2672 -25.2622 -25.2621 2.4464 2.4523 6.3825 6.4347 8.0032 8.0518 8.6965 8.7147 9.7985 9.8421 10.0219 10.0817 10.0933 10.1106 10.7550 10.8036 11.0327 11.0473 12.9754 13.0245 13.2556 13.2557 13.3564 13.3600 14.2083 14.2172 14.6994 14.7108 k = 0.4265 0.2462 0.4443 ( 1832 PWs) bands (ev): -51.6636 -51.6636 -26.0897 -26.0893 -25.2677 -25.2672 -25.2624 -25.2622 2.4629 2.4690 6.4262 6.4835 7.9526 8.0061 8.7100 8.7294 9.7902 9.8334 10.0281 10.0893 10.1021 10.1211 10.7157 10.7663 11.0106 11.0268 12.9566 13.0072 13.2602 13.2606 13.3547 13.3602 14.1389 14.1462 14.6173 14.6290 k = 0.4228 0.2441 0.4563 ( 1830 PWs) bands (ev): -51.6636 -51.6636 -26.0898 -26.0893 -25.2678 -25.2672 -25.2625 -25.2624 2.4794 2.4858 6.4708 6.5338 7.9012 7.9601 8.7241 8.7446 9.7811 9.8237 10.0349 10.0970 10.1111 10.1320 10.6772 10.7296 10.9883 11.0063 12.9371 12.9891 13.2651 13.2660 13.3538 13.3614 14.0742 14.0795 14.5366 14.5486 k = 0.4191 0.2420 0.4683 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0894 -25.2678 -25.2672 -25.2627 -25.2626 2.4959 2.5025 6.5159 6.5853 7.8495 7.9143 8.7386 8.7603 9.7714 9.8132 10.0420 10.1047 10.1202 10.1432 10.6396 10.6936 10.9660 10.9859 12.9171 12.9701 13.2703 13.2718 13.3536 13.3637 14.0144 14.0174 14.4576 14.4699 k = 0.4154 0.2399 0.4803 ( 1826 PWs) bands (ev): -51.6636 -51.6636 -26.0899 -26.0895 -25.2678 -25.2671 -25.2629 -25.2627 2.5122 2.5190 6.5611 6.6375 7.7979 7.8694 8.7537 8.7765 9.7611 9.8018 10.0495 10.1123 10.1292 10.1545 10.6032 10.6586 10.9439 10.9657 12.8964 12.9505 13.2758 13.2779 13.3541 13.3670 13.9595 13.9600 14.3801 14.3928 k = 0.4118 0.2377 0.4923 ( 1829 PWs) bands (ev): -51.6636 -51.6636 -26.0900 -26.0895 -25.2678 -25.2671 -25.2630 -25.2629 2.5281 2.5351 6.6058 6.6901 7.7471 7.8262 8.7691 8.7929 9.7502 9.7898 10.0571 10.1196 10.1381 10.1659 10.5682 10.6247 10.9221 10.9459 12.8754 12.9301 13.2816 13.2842 13.3553 13.3713 13.9073 13.9097 14.3043 14.3175 k = 0.4081 0.2356 0.5043 ( 1831 PWs) bands (ev): -51.6636 -51.6636 -26.0901 -26.0896 -25.2678 -25.2671 -25.2632 -25.2630 2.5435 2.5506 6.6493 6.7424 7.6980 7.7855 8.7849 8.8098 9.7391 9.7774 10.0647 10.1264 10.1469 10.1773 10.5347 10.5920 10.9007 10.9266 12.8539 12.9093 13.2875 13.2908 13.3572 13.3765 13.8593 13.8650 14.2303 14.2440 k = 0.4044 0.2335 0.5163 ( 1832 PWs) bands (ev): -51.6636 -51.6635 -26.0901 -26.0896 -25.2678 -25.2671 -25.2633 -25.2631 2.5582 2.5655 6.6907 6.7935 7.6517 7.7483 8.8010 8.8269 9.7278 9.7648 10.0724 10.1327 10.1555 10.1886 10.5031 10.5606 10.8800 10.9079 12.8323 12.8881 13.2936 13.2976 13.3597 13.3825 13.8163 13.8253 14.1583 14.1726 k = 0.4007 0.2314 0.5283 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0897 -25.2678 -25.2671 -25.2635 -25.2632 2.5720 2.5794 6.7289 6.8420 7.6096 7.7160 8.8174 8.8442 9.7165 9.7522 10.0798 10.1380 10.1638 10.1996 10.4736 10.5306 10.8601 10.8901 12.8107 12.8667 13.2998 13.3045 13.3627 13.3892 13.7781 13.7906 14.0883 14.1034 k = 0.3971 0.2292 0.5403 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0902 -26.0898 -25.2678 -25.2671 -25.2636 -25.2633 2.5847 2.5922 6.7629 6.8863 7.5738 7.6898 8.8341 8.8617 9.7055 9.7398 10.0869 10.1421 10.1717 10.2102 10.4466 10.5022 10.8411 10.8731 12.7892 12.8453 13.3058 13.3114 13.3660 13.3964 13.7449 13.7610 14.0206 14.0365 k = 0.3934 0.2271 0.5523 ( 1829 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0898 -25.2679 -25.2671 -25.2637 -25.2634 2.5962 2.6038 6.7913 6.9239 7.5467 7.6714 8.8509 8.8794 9.6949 9.7279 10.0935 10.1445 10.1789 10.2202 10.4223 10.4756 10.8232 10.8571 12.7680 12.8241 13.3115 13.3181 13.3695 13.4036 13.7167 13.7364 13.9553 13.9723 k = 0.3897 0.2250 0.5643 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0903 -26.0899 -25.2679 -25.2672 -25.2638 -25.2635 2.6063 2.6139 6.8130 6.9522 7.5314 7.6619 8.8679 8.8971 9.6849 9.7166 10.0995 10.1449 10.1855 10.2292 10.4015 10.4510 10.8066 10.8422 12.7473 12.8033 13.3165 13.3244 13.3731 13.4106 13.6939 13.7168 13.8929 13.9112 k = 0.3860 0.2229 0.5764 ( 1830 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2679 -25.2672 -25.2639 -25.2636 2.6147 2.6223 6.8272 6.9686 7.5305 7.6625 8.8850 8.9148 9.6757 9.7063 10.1045 10.1428 10.1909 10.2368 10.3846 10.4286 10.7914 10.8283 12.7272 12.7831 13.3204 13.3297 13.3765 13.4170 13.6764 13.7021 13.8339 13.8538 k = 0.3824 0.2208 0.5884 ( 1828 PWs) bands (ev): -51.6635 -51.6635 -26.0904 -26.0899 -25.2679 -25.2672 -25.2639 -25.2637 2.6212 2.6287 6.8337 6.9724 7.5451 7.6735 8.9021 8.9325 9.6677 9.6971 10.1084 10.1378 10.1950 10.2427 10.3725 10.4091 10.7777 10.8158 12.7080 12.7636 13.3226 13.3337 13.3798 13.4223 13.6647 13.6920 13.7788 13.8008 k = 0.3787 0.2186 0.6004 ( 1832 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6256 2.6331 6.8330 6.9646 7.5741 7.6945 8.9192 8.9501 9.6608 9.6892 10.1110 10.1297 10.1974 10.2463 10.3653 10.3928 10.7656 10.8044 12.6897 12.7449 13.3222 13.3353 13.3829 13.4263 13.6587 13.6862 13.7288 13.7534 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6150 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7272 13.3184 13.3334 13.3857 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2637 2.6277 2.6352 6.8262 6.9481 7.6149 7.7248 8.9362 8.9675 9.6555 9.6830 10.1118 10.1186 10.1976 10.2477 10.3631 10.3804 10.7551 10.7943 12.6724 12.7273 13.3184 13.3334 13.3858 13.4290 13.6578 13.6822 13.6856 13.7151 k = 0.6188-0.0830 0.4082 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0900 -25.2680 -25.2673 -25.2640 -25.2638 2.6285 2.6357 6.8088 6.9142 7.6959 7.7874 8.9654 8.9972 9.6481 9.6741 10.0957 10.1107 10.1956 10.2485 10.3642 10.3643 10.7388 10.7781 12.6446 12.6986 13.3049 13.3231 13.3907 13.4324 13.6192 13.6438 13.6651 13.6961 k = 0.6125-0.0938 0.4082 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0905 -26.0901 -25.2681 -25.2674 -25.2641 -25.2638 2.6277 2.6347 6.7892 6.8804 7.7821 7.8575 8.9948 9.0273 9.6411 9.6655 10.0703 10.1068 10.1925 10.2501 10.3511 10.3665 10.7224 10.7620 12.6179 12.6710 13.2834 13.3040 13.3957 13.4357 13.5665 13.5946 13.6710 13.6992 k = 0.6062-0.1046 0.4082 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0901 -25.2681 -25.2675 -25.2641 -25.2639 2.6257 2.6324 6.7681 6.8473 7.8724 7.9335 9.0245 9.0576 9.6346 9.6574 10.0428 10.0991 10.1896 10.2523 10.3412 10.3697 10.7060 10.7459 12.5924 12.6443 13.2525 13.2737 13.4009 13.4389 13.5271 13.5558 13.6782 13.7043 k = 0.6000-0.1155 0.4082 ( 1834 PWs) bands (ev): -51.6635 -51.6635 -26.0906 -26.0902 -25.2681 -25.2676 -25.2641 -25.2639 2.6225 2.6289 6.7464 6.8154 7.9660 8.0144 9.0542 9.0881 9.6287 9.6497 10.0137 10.0865 10.1878 10.2551 10.3345 10.3734 10.6896 10.7298 12.5681 12.6187 13.2129 13.2325 13.4061 13.4420 13.5012 13.5281 13.6861 13.7102 k = 0.5938-0.1263 0.4082 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0902 -25.2682 -25.2676 -25.2641 -25.2639 2.6186 2.6246 6.7246 6.7847 8.0621 8.0990 9.0839 9.1187 9.6233 9.6425 9.9833 10.0690 10.1880 10.2584 10.3308 10.3775 10.6732 10.7137 12.5451 12.5941 13.1668 13.1838 13.4114 13.4452 13.4857 13.5096 13.6946 13.7167 k = 0.5875-0.1371 0.4082 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0903 -25.2682 -25.2677 -25.2641 -25.2639 2.6139 2.6196 6.7030 6.7556 8.1600 8.1863 9.1131 9.1489 9.6185 9.6357 9.9517 10.0469 10.1900 10.2621 10.3293 10.3819 10.6566 10.6976 12.5232 12.5705 13.1172 13.1314 13.4167 13.4482 13.4770 13.4977 13.7032 13.7234 k = 0.5813-0.1479 0.4082 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0903 -25.2683 -25.2678 -25.2641 -25.2639 2.6088 2.6142 6.6821 6.7281 8.2589 8.2754 9.1418 9.1787 9.6142 9.6292 9.9191 10.0210 10.1937 10.2662 10.3296 10.3864 10.6400 10.6815 12.5025 12.5478 13.0663 13.0781 13.4220 13.4511 13.4723 13.4900 13.7119 13.7302 k = 0.5750-0.1588 0.4082 ( 1820 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0903 -25.2683 -25.2679 -25.2640 -25.2639 2.6034 2.6084 6.6621 6.7024 8.3584 8.3654 9.1697 9.2078 9.6105 9.6231 9.8856 9.9921 10.1989 10.2707 10.3312 10.3909 10.6233 10.6654 12.4830 12.5262 13.0161 13.0258 13.4272 13.4540 13.4702 13.4851 13.7205 13.7370 k = 0.5687-0.1696 0.4082 ( 1816 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2683 -25.2679 -25.2640 -25.2639 2.5979 2.6025 6.6433 6.6785 8.4555 8.4577 9.1965 9.2360 9.6075 9.6173 9.8513 9.9608 10.2053 10.2758 10.3339 10.3952 10.6068 10.6494 12.4647 12.5055 12.9676 12.9757 13.4323 13.4567 13.4695 13.4820 13.7289 13.7436 k = 0.5625-0.1804 0.4082 ( 1808 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2684 -25.2680 -25.2640 -25.2639 2.5924 2.5966 6.6258 6.6564 8.5450 8.5562 9.2219 9.2632 9.6051 9.6118 9.8163 9.9274 10.2130 10.2813 10.3372 10.3991 10.5906 10.6336 12.4476 12.4859 12.9218 12.9285 13.4374 13.4592 13.4699 13.4801 13.7369 13.7499 k = 0.5563-0.1912 0.4082 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2684 -25.2681 -25.2640 -25.2639 2.5870 2.5909 6.6097 6.6362 8.6331 8.6532 9.2456 9.2890 9.6033 9.6064 9.7805 9.8922 10.2216 10.2872 10.3410 10.4023 10.5748 10.6180 12.4319 12.4673 12.8791 12.8847 13.4422 13.4613 13.4709 13.4789 13.7444 13.7558 k = 0.5500-0.2021 0.4082 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0904 -25.2684 -25.2681 -25.2640 -25.2639 2.5820 2.5854 6.5952 6.6180 8.7191 8.7483 9.2673 9.3131 9.6009 9.6021 9.7440 9.8553 10.2313 10.2935 10.3449 10.4044 10.5598 10.6028 12.4174 12.4498 12.8400 12.8447 13.4470 13.4633 13.4723 13.4782 13.7513 13.7612 k = 0.5437-0.2129 0.4082 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2684 -25.2682 -25.2639 -25.2639 2.5773 2.5803 6.5824 6.6017 8.8023 8.8406 9.2866 9.3355 9.5950 9.6015 9.7069 9.8171 10.2420 10.3002 10.3488 10.4051 10.5461 10.5882 12.4045 12.4335 12.8049 12.8089 13.4514 13.4649 13.4739 13.4778 13.7576 13.7660 k = 0.5375-0.2237 0.4082 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5731 2.5756 6.5713 6.5875 8.8822 8.9297 9.3029 9.3558 9.5882 9.6014 9.6694 9.7779 10.2537 10.3072 10.3524 10.4037 10.5343 10.5743 12.3932 12.4186 12.7741 12.7773 13.4556 13.4663 13.4756 13.4777 13.7631 13.7702 k = 0.5312-0.2345 0.4082 ( 1812 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5694 2.5715 6.5620 6.5752 8.9580 9.0147 9.3157 9.3739 9.5796 9.6011 9.6326 9.7387 10.2662 10.3144 10.3553 10.3997 10.5250 10.5614 12.3836 12.4052 12.7477 12.7503 13.4594 13.4675 13.4770 13.4777 13.7679 13.7737 k = 0.5250-0.2454 0.4082 ( 1810 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0905 -25.2685 -25.2683 -25.2639 -25.2639 2.5664 2.5681 6.5545 6.5649 9.0290 9.0946 9.3245 9.3896 9.5673 9.5897 9.6081 9.7014 10.2796 10.3215 10.3573 10.3929 10.5184 10.5496 12.3758 12.3935 12.7259 12.7279 13.4627 13.4685 13.4778 13.4783 13.7720 13.7765 k = 0.5188-0.2562 0.4082 ( 1806 PWs) bands (ev): -51.6634 -51.6634 -26.0907 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5640 2.5653 6.5489 6.5566 9.0945 9.1676 9.3290 9.4026 9.5484 9.5567 9.6077 9.6692 10.2936 10.3283 10.3582 10.3836 10.5148 10.5393 12.3702 12.3836 12.7089 12.7104 13.4655 13.4692 13.4781 13.4791 13.7752 13.7786 k = 0.5125-0.2670 0.4082 ( 1802 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5623 2.5632 6.5453 6.5503 9.1532 9.2276 9.3324 9.4113 9.5220 9.5255 9.6104 9.6456 10.3079 10.3342 10.3580 10.3726 10.5139 10.5306 12.3667 12.3757 12.6967 12.6977 13.4676 13.4697 13.4785 13.4796 13.7777 13.7800 k = 0.5062-0.2778 0.4082 ( 1800 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2684 -25.2639 -25.2639 2.5614 2.5618 6.5436 6.5461 9.2031 9.2550 9.3502 9.4099 9.4956 9.5010 9.6147 9.6304 10.3217 10.3372 10.3568 10.3620 10.5151 10.5236 12.3654 12.3700 12.6895 12.6900 13.4689 13.4699 13.4790 13.4797 13.7794 13.7805 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -51.6634 -51.6634 -26.0906 -26.0906 -25.2685 -25.2685 -25.2639 -25.2639 2.5612 2.5612 6.5438 6.5438 9.2403 9.2403 9.3860 9.3860 9.4880 9.4880 9.6208 9.6208 10.3331 10.3331 10.3566 10.3566 10.5184 10.5184 12.3665 12.3665 12.6872 12.6872 13.4696 13.4696 13.4795 13.4795 13.7804 13.7804 Writing output data file VNiSb.save init_run : 1.21s CPU 0.73s WALL ( 1 calls) electrons : 195.70s CPU 112.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.12s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 195.69s CPU 112.95s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.37s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.25s WALL ( 366 calls) cegterg : 177.44s CPU 101.70s WALL ( 383 calls) Called by sum_band: Called by *egterg: h_psi : 100.44s CPU 59.64s WALL ( 5716 calls) s_psi : 6.42s CPU 3.40s WALL ( 5716 calls) g_psi : 0.14s CPU 0.08s WALL ( 4967 calls) cdiaghg : 72.05s CPU 39.75s WALL ( 5333 calls) cegterg:over : 5.63s CPU 3.03s WALL ( 4967 calls) cegterg:upda : 3.38s CPU 1.92s WALL ( 4967 calls) cegterg:last : 1.86s CPU 1.11s WALL ( 1186 calls) cdiaghg:chol : 3.59s CPU 2.09s WALL ( 5333 calls) cdiaghg:inve : 1.96s CPU 1.16s WALL ( 5333 calls) cdiaghg:para : 4.02s CPU 2.09s WALL ( 10666 calls) Called by h_psi: h_psi:vloc : 86.90s CPU 51.95s WALL ( 5716 calls) h_psi:vnl : 13.40s CPU 7.61s WALL ( 5716 calls) add_vuspsi : 8.85s CPU 4.80s WALL ( 5716 calls) General routines calbec : 4.52s CPU 2.79s WALL ( 5716 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 79.99s CPU 47.95s WALL ( 584904 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.37s CPU 0.37s WALL ( 732 calls) Parallel routines fft_scatter : 38.76s CPU 22.55s WALL ( 584927 calls) PWSCF : 3m26.96s CPU 2m17.82s WALL This run was terminated on: 4:28:38 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=