Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:40:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu2S.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 19 5 504 341 55 Max 26 20 6 507 348 59 Sum 925 703 211 18197 12387 2085 bravais-lattice index = 14 lattice parameter (alat) = 7.4829 a.u. unit-cell volume = 296.2788 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.482933 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops., with 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 = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 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 = 6 180 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0087719 -0.0050645 0.0071623), wk = 0.0026667 k( 3) = ( 0.0175439 -0.0101290 0.0143245), wk = 0.0026667 k( 4) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0026667 k( 5) = ( 0.0350877 -0.0202579 0.0286490), wk = 0.0026667 k( 6) = ( 0.0438597 -0.0253224 0.0358113), wk = 0.0026667 k( 7) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0026667 k( 8) = ( 0.0614035 -0.0354513 0.0501358), wk = 0.0026667 k( 9) = ( 0.0701754 -0.0405158 0.0572980), wk = 0.0026667 k( 10) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0026667 k( 11) = ( 0.0877193 -0.0506448 0.0716225), wk = 0.0026667 k( 12) = ( 0.0964912 -0.0557092 0.0787848), wk = 0.0026667 k( 13) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0026667 k( 14) = ( 0.1140351 -0.0658382 0.0931093), wk = 0.0026667 k( 15) = ( 0.1228070 -0.0709027 0.1002715), wk = 0.0026667 k( 16) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0026667 k( 17) = ( 0.1403509 -0.0810316 0.1145960), wk = 0.0026667 k( 18) = ( 0.1491228 -0.0860961 0.1217583), wk = 0.0026667 k( 19) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0026667 k( 20) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0026667 k( 21) = ( 0.1754386 -0.1012895 0.1432450), wk = 0.0026667 k( 22) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0026667 k( 23) = ( 0.1929825 -0.1114185 0.1575695), wk = 0.0026667 k( 24) = ( 0.2017544 -0.1164830 0.1647318), wk = 0.0026667 k( 25) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0026667 k( 26) = ( 0.2192983 -0.1266119 0.1790563), wk = 0.0026667 k( 27) = ( 0.2280702 -0.1316764 0.1862185), wk = 0.0026667 k( 28) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0026667 k( 29) = ( 0.2456140 -0.1418053 0.2005430), wk = 0.0026667 k( 30) = ( 0.2543860 -0.1468698 0.2077053), wk = 0.0026667 k( 31) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0026667 k( 32) = ( 0.2719298 -0.1569988 0.2220298), wk = 0.0026667 k( 33) = ( 0.2807018 -0.1620632 0.2291920), wk = 0.0026667 k( 34) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0026667 k( 35) = ( 0.2982456 -0.1721922 0.2435165), wk = 0.0026667 k( 36) = ( 0.3070175 -0.1772567 0.2506788), wk = 0.0026667 k( 37) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0026667 k( 38) = ( 0.3245614 -0.1873856 0.2650033), wk = 0.0026667 k( 39) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0026667 k( 40) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0026667 k( 41) = ( 0.3508772 -0.2025790 0.2864900), wk = 0.0026667 k( 42) = ( 0.3596491 -0.2076435 0.2936523), wk = 0.0026667 k( 43) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0026667 k( 44) = ( 0.3771930 -0.2177725 0.3079768), wk = 0.0026667 k( 45) = ( 0.3859649 -0.2228369 0.3151390), wk = 0.0026667 k( 46) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0026667 k( 47) = ( 0.4035088 -0.2329659 0.3294635), wk = 0.0026667 k( 48) = ( 0.4122807 -0.2380304 0.3366258), wk = 0.0026667 k( 49) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0026667 k( 50) = ( 0.4298246 -0.2481593 0.3509503), wk = 0.0026667 k( 51) = ( 0.4385965 -0.2532238 0.3581125), wk = 0.0026667 k( 52) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0026667 k( 53) = ( 0.4561404 -0.2633528 0.3724370), wk = 0.0026667 k( 54) = ( 0.4649123 -0.2684172 0.3795993), wk = 0.0026667 k( 55) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0026667 k( 56) = ( 0.4824561 -0.2785462 0.3939238), wk = 0.0026667 k( 57) = ( 0.4912281 -0.2836107 0.4010860), wk = 0.0026667 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026667 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026667 k( 60) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0026667 k( 61) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0026667 k( 62) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0026667 k( 63) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0026667 k( 64) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0026667 k( 65) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0026667 k( 66) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0026667 k( 67) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0026667 k( 68) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0026667 k( 69) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0026667 k( 70) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0026667 k( 71) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0026667 k( 72) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0026667 k( 73) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0026667 k( 74) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0026667 k( 75) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0026667 k( 76) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0026667 k( 77) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0026667 k( 78) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0026667 k( 79) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0026667 k( 80) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0026667 k( 81) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0026667 k( 82) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0026667 k( 83) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0026667 k( 84) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0026667 k( 85) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0026667 k( 86) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0026667 k( 87) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0026667 k( 88) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026667 k( 89) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026667 k( 90) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0026667 k( 91) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0026667 k( 92) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0026667 k( 93) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0026667 k( 94) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0026667 k( 95) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0026667 k( 96) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0026667 k( 97) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0026667 k( 98) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0026667 k( 99) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0026667 k( 100) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0026667 k( 101) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0026667 k( 102) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0026667 k( 103) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0026667 k( 104) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0026667 k( 105) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0026667 k( 106) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0026667 k( 107) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0026667 k( 108) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0026667 k( 109) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026667 k( 110) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026667 k( 111) = ( 0.3687500 0.2128979 0.6021662), wk = 0.0026667 k( 112) = ( 0.3625000 0.2092895 0.5919600), wk = 0.0026667 k( 113) = ( 0.3562500 0.2056810 0.5817538), wk = 0.0026667 k( 114) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0026667 k( 115) = ( 0.3437500 0.1984642 0.5613414), wk = 0.0026667 k( 116) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0026667 k( 117) = ( 0.3312500 0.1912473 0.5409290), wk = 0.0026667 k( 118) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0026667 k( 119) = ( 0.3187500 0.1840304 0.5205166), wk = 0.0026667 k( 120) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0026667 k( 121) = ( 0.3062500 0.1768135 0.5001042), wk = 0.0026667 k( 122) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0026667 k( 123) = ( 0.2937500 0.1695966 0.4796917), wk = 0.0026667 k( 124) = ( 0.2875000 0.1659882 0.4694855), wk = 0.0026667 k( 125) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0026667 k( 126) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0026667 k( 127) = ( 0.2687500 0.1551629 0.4388669), wk = 0.0026667 k( 128) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0026667 k( 129) = ( 0.2562500 0.1479460 0.4184545), wk = 0.0026667 k( 130) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0026667 k( 131) = ( 0.2437500 0.1407291 0.3980421), wk = 0.0026667 k( 132) = ( 0.2375000 0.1371207 0.3878359), wk = 0.0026667 k( 133) = ( 0.2312500 0.1335122 0.3776297), wk = 0.0026667 k( 134) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0026667 k( 135) = ( 0.2187500 0.1262954 0.3572173), wk = 0.0026667 k( 136) = ( 0.2125000 0.1226869 0.3470110), wk = 0.0026667 k( 137) = ( 0.2062500 0.1190785 0.3368048), wk = 0.0026667 k( 138) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0026667 k( 139) = ( 0.1937500 0.1118616 0.3163924), wk = 0.0026667 k( 140) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0026667 k( 141) = ( 0.1812500 0.1046447 0.2959800), wk = 0.0026667 k( 142) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0026667 k( 143) = ( 0.1687500 0.0974279 0.2755676), wk = 0.0026667 k( 144) = ( 0.1625000 0.0938194 0.2653614), wk = 0.0026667 k( 145) = ( 0.1562500 0.0902110 0.2551552), wk = 0.0026667 k( 146) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0026667 k( 147) = ( 0.1437500 0.0829941 0.2347428), wk = 0.0026667 k( 148) = ( 0.1375000 0.0793857 0.2245366), wk = 0.0026667 k( 149) = ( 0.1312500 0.0757772 0.2143304), wk = 0.0026667 k( 150) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0026667 k( 151) = ( 0.1187500 0.0685603 0.1939179), wk = 0.0026667 k( 152) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0026667 k( 153) = ( 0.1062500 0.0613435 0.1735055), wk = 0.0026667 k( 154) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0026667 k( 155) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0026667 k( 156) = ( 0.0875000 0.0505181 0.1428869), wk = 0.0026667 k( 157) = ( 0.0812500 0.0469097 0.1326807), wk = 0.0026667 k( 158) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0026667 k( 159) = ( 0.0687500 0.0396928 0.1122683), wk = 0.0026667 k( 160) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0026667 k( 161) = ( 0.0562500 0.0324760 0.0918559), wk = 0.0026667 k( 162) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0026667 k( 163) = ( 0.0437500 0.0252591 0.0714435), wk = 0.0026667 k( 164) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0026667 k( 165) = ( 0.0312500 0.0180422 0.0510310), wk = 0.0026667 k( 166) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0026667 k( 167) = ( 0.0187500 0.0108253 0.0306186), wk = 0.0026667 k( 168) = ( 0.0125000 0.0072169 0.0204124), wk = 0.0026667 k( 169) = ( 0.0062500 0.0036084 0.0102062), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 172) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0026667 k( 173) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0026667 k( 174) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0026667 k( 175) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0026667 k( 176) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0026667 k( 177) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0026667 k( 178) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0026667 k( 179) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0026667 k( 180) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0026667 k( 181) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0026667 k( 182) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0026667 k( 183) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0026667 k( 184) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0026667 k( 185) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0026667 k( 186) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0026667 k( 187) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0026667 k( 188) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0026667 k( 189) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0026667 k( 190) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0026667 k( 191) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0026667 k( 192) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0026667 k( 193) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0026667 k( 194) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0026667 k( 195) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0026667 k( 196) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0026667 k( 197) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0026667 k( 198) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0026667 k( 199) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0026667 k( 200) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0026667 k( 201) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0026667 k( 202) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0026667 k( 203) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0026667 k( 204) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0026667 k( 205) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0026667 k( 206) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0026667 k( 207) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0026667 k( 208) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0026667 k( 209) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0026667 k( 210) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0026667 k( 211) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0026667 k( 212) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0026667 k( 213) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0026667 k( 214) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0026667 k( 215) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0026667 k( 216) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0026667 k( 217) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0026667 k( 218) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0026667 k( 219) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0026667 k( 220) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026667 k( 221) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026667 k( 222) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026667 k( 223) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026667 k( 224) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026667 k( 225) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026667 k( 226) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026667 k( 227) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026667 k( 228) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026667 k( 229) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026667 k( 230) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026667 k( 231) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026667 k( 232) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026667 k( 233) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026667 k( 234) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026667 k( 235) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026667 k( 236) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026667 k( 237) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026667 k( 238) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026667 k( 239) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026667 k( 240) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026667 k( 241) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026667 k( 242) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026667 k( 243) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026667 k( 244) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026667 k( 245) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026667 k( 246) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026667 k( 247) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026667 k( 248) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026667 k( 249) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026667 k( 250) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026667 k( 251) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026667 k( 252) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026667 k( 253) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026667 k( 254) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026667 k( 255) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026667 k( 256) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026667 k( 257) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026667 k( 258) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0026667 k( 259) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0026667 k( 260) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0026667 k( 261) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0026667 k( 262) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0026667 k( 263) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0026667 k( 264) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0026667 k( 265) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0026667 k( 266) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0026667 k( 267) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0026667 k( 268) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0026667 k( 269) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0026667 k( 270) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0026667 k( 271) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0026667 k( 272) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0026667 k( 273) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0026667 k( 274) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0026667 k( 275) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0026667 k( 276) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0026667 k( 277) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026667 k( 278) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026667 k( 279) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0026667 k( 280) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0026667 k( 281) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0026667 k( 282) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0026667 k( 283) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0026667 k( 284) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0026667 k( 285) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0026667 k( 286) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0026667 k( 287) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0026667 k( 288) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0026667 k( 289) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0026667 k( 290) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0026667 k( 291) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0026667 k( 292) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0026667 k( 293) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0026667 k( 294) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0026667 k( 295) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0026667 k( 296) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0026667 k( 297) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0026667 k( 298) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0026667 k( 299) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0026667 k( 300) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0026667 k( 301) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0026667 k( 302) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0026667 k( 303) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0026667 k( 304) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0026667 k( 305) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0026667 k( 306) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0026667 k( 307) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0026667 k( 308) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0026667 k( 309) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0026667 k( 310) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0026667 k( 311) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0026667 k( 312) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0026667 k( 313) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0026667 k( 314) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0026667 k( 315) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0026667 k( 316) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0026667 k( 317) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0026667 k( 318) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026667 k( 319) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026667 k( 320) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026667 k( 321) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026667 k( 322) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026667 k( 323) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026667 k( 324) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026667 k( 325) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026667 k( 326) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026667 k( 327) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026667 k( 328) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026667 k( 329) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026667 k( 330) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026667 k( 331) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026667 k( 332) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026667 k( 333) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026667 k( 334) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026667 k( 335) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026667 k( 336) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026667 k( 337) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026667 k( 338) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026667 k( 339) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026667 k( 340) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026667 k( 341) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026667 k( 342) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026667 k( 343) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026667 k( 344) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026667 k( 345) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026667 k( 346) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026667 k( 347) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026667 k( 348) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026667 k( 349) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026667 k( 350) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026667 k( 351) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026667 k( 352) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026667 k( 353) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026667 k( 354) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026667 k( 355) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026667 k( 356) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0026667 k( 357) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0026667 k( 358) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0026667 k( 359) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0026667 k( 360) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0026667 k( 361) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0026667 k( 362) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0026667 k( 363) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0026667 k( 364) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0026667 k( 365) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0026667 k( 366) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0026667 k( 367) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0026667 k( 368) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0026667 k( 369) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0026667 k( 370) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0026667 k( 371) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0026667 k( 372) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0026667 k( 373) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0026667 k( 374) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0026667 k( 375) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0087719 0.0000000 0.0087719), wk = 0.0026667 k( 3) = ( 0.0175439 0.0000000 0.0175439), wk = 0.0026667 k( 4) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0026667 k( 5) = ( 0.0350877 0.0000000 0.0350877), wk = 0.0026667 k( 6) = ( 0.0438597 -0.0000000 0.0438597), wk = 0.0026667 k( 7) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0026667 k( 8) = ( 0.0614035 -0.0000000 0.0614035), wk = 0.0026667 k( 9) = ( 0.0701754 0.0000000 0.0701754), wk = 0.0026667 k( 10) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0026667 k( 11) = ( 0.0877193 -0.0000000 0.0877193), wk = 0.0026667 k( 12) = ( 0.0964912 -0.0000000 0.0964912), wk = 0.0026667 k( 13) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0026667 k( 14) = ( 0.1140351 -0.0000000 0.1140351), wk = 0.0026667 k( 15) = ( 0.1228070 -0.0000000 0.1228070), wk = 0.0026667 k( 16) = ( 0.1315790 0.0000000 0.1315790), wk = 0.0026667 k( 17) = ( 0.1403509 0.0000000 0.1403509), wk = 0.0026667 k( 18) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0026667 k( 19) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0026667 k( 20) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026667 k( 21) = ( 0.1754386 -0.0000000 0.1754386), wk = 0.0026667 k( 22) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0026667 k( 23) = ( 0.1929825 -0.0000000 0.1929825), wk = 0.0026667 k( 24) = ( 0.2017544 -0.0000000 0.2017544), wk = 0.0026667 k( 25) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0026667 k( 26) = ( 0.2192983 -0.0000000 0.2192983), wk = 0.0026667 k( 27) = ( 0.2280702 -0.0000000 0.2280702), wk = 0.0026667 k( 28) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0026667 k( 29) = ( 0.2456140 -0.0000000 0.2456140), wk = 0.0026667 k( 30) = ( 0.2543860 0.0000000 0.2543860), wk = 0.0026667 k( 31) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0026667 k( 32) = ( 0.2719298 0.0000000 0.2719298), wk = 0.0026667 k( 33) = ( 0.2807018 0.0000000 0.2807018), wk = 0.0026667 k( 34) = ( 0.2894737 0.0000000 0.2894737), wk = 0.0026667 k( 35) = ( 0.2982456 0.0000000 0.2982456), wk = 0.0026667 k( 36) = ( 0.3070175 0.0000000 0.3070175), wk = 0.0026667 k( 37) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0026667 k( 38) = ( 0.3245614 0.0000000 0.3245614), wk = 0.0026667 k( 39) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0026667 k( 40) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0026667 k( 41) = ( 0.3508772 -0.0000000 0.3508772), wk = 0.0026667 k( 42) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0026667 k( 43) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0026667 k( 44) = ( 0.3771930 -0.0000000 0.3771930), wk = 0.0026667 k( 45) = ( 0.3859649 -0.0000000 0.3859649), wk = 0.0026667 k( 46) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0026667 k( 47) = ( 0.4035088 -0.0000000 0.4035088), wk = 0.0026667 k( 48) = ( 0.4122807 -0.0000000 0.4122807), wk = 0.0026667 k( 49) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0026667 k( 50) = ( 0.4298246 -0.0000000 0.4298246), wk = 0.0026667 k( 51) = ( 0.4385965 -0.0000000 0.4385965), wk = 0.0026667 k( 52) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0026667 k( 53) = ( 0.4561404 0.0000000 0.4561404), wk = 0.0026667 k( 54) = ( 0.4649123 0.0000000 0.4649123), wk = 0.0026667 k( 55) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0026667 k( 56) = ( 0.4824561 -0.0000000 0.4824561), wk = 0.0026667 k( 57) = ( 0.4912281 -0.0000000 0.4912281), wk = 0.0026667 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 60) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0026667 k( 61) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0026667 k( 62) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0026667 k( 63) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0026667 k( 64) = ( 0.5000000 0.0431034 0.5431035), wk = 0.0026667 k( 65) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0026667 k( 66) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0026667 k( 67) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0026667 k( 68) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0026667 k( 69) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0026667 k( 70) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0026667 k( 71) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0026667 k( 72) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0026667 k( 73) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0026667 k( 74) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0026667 k( 75) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0026667 k( 76) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0026667 k( 77) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0026667 k( 78) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0026667 k( 79) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0026667 k( 80) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0026667 k( 81) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0026667 k( 82) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0026667 k( 83) = ( 0.5000000 0.2068966 0.7068966), wk = 0.0026667 k( 84) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0026667 k( 85) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0026667 k( 86) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0026667 k( 87) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0026667 k( 88) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026667 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026667 k( 90) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0026667 k( 91) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0026667 k( 92) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0026667 k( 93) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0026667 k( 94) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0026667 k( 95) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0026667 k( 96) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0026667 k( 97) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0026667 k( 98) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0026667 k( 99) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0026667 k( 100) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0026667 k( 101) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0026667 k( 102) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0026667 k( 103) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0026667 k( 104) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0026667 k( 105) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0026667 k( 106) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0026667 k( 107) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0026667 k( 108) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0026667 k( 109) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026667 k( 110) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026667 k( 111) = ( 0.3687500 0.3687500 0.7375000), wk = 0.0026667 k( 112) = ( 0.3625000 0.3625000 0.7250000), wk = 0.0026667 k( 113) = ( 0.3562500 0.3562500 0.7125000), wk = 0.0026667 k( 114) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0026667 k( 115) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0026667 k( 116) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0026667 k( 117) = ( 0.3312500 0.3312500 0.6625000), wk = 0.0026667 k( 118) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0026667 k( 119) = ( 0.3187500 0.3187500 0.6375000), wk = 0.0026667 k( 120) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0026667 k( 121) = ( 0.3062500 0.3062500 0.6125000), wk = 0.0026667 k( 122) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0026667 k( 123) = ( 0.2937500 0.2937500 0.5875000), wk = 0.0026667 k( 124) = ( 0.2875000 0.2875000 0.5750000), wk = 0.0026667 k( 125) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0026667 k( 126) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0026667 k( 127) = ( 0.2687500 0.2687500 0.5375000), wk = 0.0026667 k( 128) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0026667 k( 129) = ( 0.2562500 0.2562500 0.5125000), wk = 0.0026667 k( 130) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026667 k( 131) = ( 0.2437500 0.2437500 0.4875000), wk = 0.0026667 k( 132) = ( 0.2375000 0.2375000 0.4750000), wk = 0.0026667 k( 133) = ( 0.2312500 0.2312500 0.4625000), wk = 0.0026667 k( 134) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0026667 k( 135) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0026667 k( 136) = ( 0.2125000 0.2125000 0.4250000), wk = 0.0026667 k( 137) = ( 0.2062500 0.2062500 0.4125000), wk = 0.0026667 k( 138) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0026667 k( 139) = ( 0.1937500 0.1937500 0.3875000), wk = 0.0026667 k( 140) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0026667 k( 141) = ( 0.1812500 0.1812500 0.3625000), wk = 0.0026667 k( 142) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0026667 k( 143) = ( 0.1687500 0.1687500 0.3375000), wk = 0.0026667 k( 144) = ( 0.1625000 0.1625000 0.3250000), wk = 0.0026667 k( 145) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0026667 k( 146) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0026667 k( 147) = ( 0.1437500 0.1437500 0.2875000), wk = 0.0026667 k( 148) = ( 0.1375000 0.1375000 0.2750000), wk = 0.0026667 k( 149) = ( 0.1312500 0.1312500 0.2625000), wk = 0.0026667 k( 150) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0026667 k( 151) = ( 0.1187500 0.1187500 0.2375000), wk = 0.0026667 k( 152) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0026667 k( 153) = ( 0.1062500 0.1062500 0.2125000), wk = 0.0026667 k( 154) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0026667 k( 155) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0026667 k( 156) = ( 0.0875000 0.0875000 0.1750000), wk = 0.0026667 k( 157) = ( 0.0812500 0.0812500 0.1625000), wk = 0.0026667 k( 158) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0026667 k( 159) = ( 0.0687500 0.0687500 0.1375000), wk = 0.0026667 k( 160) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0026667 k( 161) = ( 0.0562500 0.0562500 0.1125000), wk = 0.0026667 k( 162) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0026667 k( 163) = ( 0.0437500 0.0437500 0.0875000), wk = 0.0026667 k( 164) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0026667 k( 165) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0026667 k( 166) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0026667 k( 167) = ( 0.0187500 0.0187500 0.0375000), wk = 0.0026667 k( 168) = ( 0.0125000 0.0125000 0.0250000), wk = 0.0026667 k( 169) = ( 0.0062500 0.0062500 0.0125000), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 172) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0026667 k( 173) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0026667 k( 174) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0026667 k( 175) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0026667 k( 176) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0026667 k( 177) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0026667 k( 178) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026667 k( 179) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0026667 k( 180) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0026667 k( 181) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0026667 k( 182) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0026667 k( 183) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0026667 k( 184) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0026667 k( 185) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026667 k( 186) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0026667 k( 187) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0026667 k( 188) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0026667 k( 189) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0026667 k( 190) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0026667 k( 191) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0026667 k( 192) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026667 k( 193) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0026667 k( 194) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0026667 k( 195) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0026667 k( 196) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0026667 k( 197) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0026667 k( 198) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0026667 k( 199) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026667 k( 200) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0026667 k( 201) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0026667 k( 202) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0026667 k( 203) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0026667 k( 204) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0026667 k( 205) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0026667 k( 206) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026667 k( 207) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0026667 k( 208) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0026667 k( 209) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0026667 k( 210) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0026667 k( 211) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0026667 k( 212) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0026667 k( 213) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026667 k( 214) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0026667 k( 215) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0026667 k( 216) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0026667 k( 217) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0026667 k( 218) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0026667 k( 219) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0026667 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 222) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026667 k( 223) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026667 k( 224) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026667 k( 225) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026667 k( 226) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026667 k( 227) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026667 k( 228) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026667 k( 229) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026667 k( 230) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026667 k( 231) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026667 k( 232) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026667 k( 233) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026667 k( 234) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026667 k( 235) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026667 k( 236) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026667 k( 237) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026667 k( 238) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026667 k( 239) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026667 k( 240) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026667 k( 241) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026667 k( 242) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026667 k( 243) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026667 k( 244) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026667 k( 245) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026667 k( 246) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026667 k( 247) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026667 k( 248) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026667 k( 249) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026667 k( 250) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026667 k( 251) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026667 k( 252) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026667 k( 253) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026667 k( 254) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026667 k( 255) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026667 k( 256) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026667 k( 257) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026667 k( 258) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0026667 k( 259) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0026667 k( 260) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0026667 k( 261) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0026667 k( 262) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0026667 k( 263) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0026667 k( 264) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0026667 k( 265) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0026667 k( 266) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0026667 k( 267) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0026667 k( 268) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0026667 k( 269) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0026667 k( 270) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0026667 k( 271) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0026667 k( 272) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0026667 k( 273) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0026667 k( 274) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0026667 k( 275) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0026667 k( 276) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0026667 k( 277) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026667 k( 278) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026667 k( 279) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0026667 k( 280) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0026667 k( 281) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0026667 k( 282) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0026667 k( 283) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0026667 k( 284) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0026667 k( 285) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0026667 k( 286) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0026667 k( 287) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0026667 k( 288) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0026667 k( 289) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0026667 k( 290) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0026667 k( 291) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0026667 k( 292) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0026667 k( 293) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0026667 k( 294) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0026667 k( 295) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0026667 k( 296) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0026667 k( 297) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0026667 k( 298) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0026667 k( 299) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0026667 k( 300) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0026667 k( 301) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0026667 k( 302) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0026667 k( 303) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0026667 k( 304) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0026667 k( 305) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0026667 k( 306) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0026667 k( 307) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0026667 k( 308) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0026667 k( 309) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0026667 k( 310) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0026667 k( 311) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0026667 k( 312) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0026667 k( 313) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0026667 k( 314) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0026667 k( 315) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0026667 k( 316) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0026667 k( 317) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0026667 k( 318) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 319) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 320) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026667 k( 321) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026667 k( 322) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026667 k( 323) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026667 k( 324) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026667 k( 325) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026667 k( 326) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026667 k( 327) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026667 k( 328) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026667 k( 329) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026667 k( 330) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026667 k( 331) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026667 k( 332) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026667 k( 333) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026667 k( 334) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026667 k( 335) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026667 k( 336) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026667 k( 337) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026667 k( 338) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026667 k( 339) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026667 k( 340) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026667 k( 341) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026667 k( 342) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026667 k( 343) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026667 k( 344) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026667 k( 345) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026667 k( 346) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026667 k( 347) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026667 k( 348) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026667 k( 349) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026667 k( 350) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026667 k( 351) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026667 k( 352) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026667 k( 353) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026667 k( 354) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026667 k( 355) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026667 k( 356) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0026667 k( 357) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0026667 k( 358) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0026667 k( 359) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0026667 k( 360) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0026667 k( 361) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0026667 k( 362) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0026667 k( 363) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0026667 k( 364) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0026667 k( 365) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0026667 k( 366) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0026667 k( 367) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0026667 k( 368) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0026667 k( 369) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0026667 k( 370) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0026667 k( 371) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0026667 k( 372) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0026667 k( 373) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0026667 k( 374) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0026667 k( 375) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 Dense grid: 18197 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 88, 36) NL pseudopotentials 0.07 Mb ( 44, 102) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 505) G-vector shells 0.00 Mb ( 181) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 88, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 102, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu2S.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.1 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.3 secs Computing kpt #: 16 total cpu time spent up to now is 4.5 secs Computing kpt #: 17 total cpu time spent up to now is 4.6 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.5 secs Computing kpt #: 25 total cpu time spent up to now is 5.7 secs Computing kpt #: 26 total cpu time spent up to now is 5.8 secs Computing kpt #: 27 total cpu time spent up to now is 5.9 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 30 total cpu time spent up to now is 6.4 secs Computing kpt #: 31 total cpu time spent up to now is 6.5 secs Computing kpt #: 32 total cpu time spent up to now is 6.7 secs Computing kpt #: 33 total cpu time spent up to now is 6.8 secs Computing kpt #: 34 total cpu time spent up to now is 7.0 secs Computing kpt #: 35 total cpu time spent up to now is 7.2 secs Computing kpt #: 36 total cpu time spent up to now is 7.4 secs Computing kpt #: 37 total cpu time spent up to now is 7.6 secs Computing kpt #: 38 total cpu time spent up to now is 7.7 secs Computing kpt #: 39 total cpu time spent up to now is 7.9 secs Computing kpt #: 40 total cpu time spent up to now is 8.1 secs Computing kpt #: 41 total cpu time spent up to now is 8.3 secs Computing kpt #: 42 total cpu time spent up to now is 8.5 secs Computing kpt #: 43 total cpu time spent up to now is 8.7 secs Computing kpt #: 44 total cpu time spent up to now is 8.9 secs Computing kpt #: 45 total cpu time spent up to now is 9.1 secs Computing kpt #: 46 total cpu time spent up to now is 9.3 secs Computing kpt #: 47 total cpu time spent up to now is 9.6 secs Computing kpt #: 48 total cpu time spent up to now is 9.8 secs Computing kpt #: 49 total cpu time spent up to now is 10.0 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.4 secs Computing kpt #: 52 total cpu time spent up to now is 10.7 secs Computing kpt #: 53 total cpu time spent up to now is 11.0 secs Computing kpt #: 54 total cpu time spent up to now is 11.1 secs Computing kpt #: 55 total cpu time spent up to now is 11.3 secs Computing kpt #: 56 total cpu time spent up to now is 11.6 secs Computing kpt #: 57 total cpu time spent up to now is 11.9 secs Computing kpt #: 58 total cpu time spent up to now is 12.1 secs Computing kpt #: 59 total cpu time spent up to now is 12.4 secs Computing kpt #: 60 total cpu time spent up to now is 12.7 secs Computing kpt #: 61 total cpu time spent up to now is 12.9 secs Computing kpt #: 62 total cpu time spent up to now is 13.2 secs Computing kpt #: 63 total cpu time spent up to now is 13.4 secs Computing kpt #: 64 total cpu time spent up to now is 13.6 secs Computing kpt #: 65 total cpu time spent up to now is 13.7 secs Computing kpt #: 66 total cpu time spent up to now is 13.9 secs Computing kpt #: 67 total cpu time spent up to now is 14.1 secs Computing kpt #: 68 total cpu time spent up to now is 14.2 secs Computing kpt #: 69 total cpu time spent up to now is 14.3 secs Computing kpt #: 70 total cpu time spent up to now is 14.5 secs Computing kpt #: 71 total cpu time spent up to now is 14.6 secs Computing kpt #: 72 total cpu time spent up to now is 14.8 secs Computing kpt #: 73 total cpu time spent up to now is 14.9 secs Computing kpt #: 74 total cpu time spent up to now is 15.0 secs Computing kpt #: 75 total cpu time spent up to now is 15.2 secs Computing kpt #: 76 total cpu time spent up to now is 15.3 secs Computing kpt #: 77 total cpu time spent up to now is 15.4 secs Computing kpt #: 78 total cpu time spent up to now is 15.5 secs Computing kpt #: 79 total cpu time spent up to now is 15.7 secs Computing kpt #: 80 total cpu time spent up to now is 15.8 secs Computing kpt #: 81 total cpu time spent up to now is 15.9 secs Computing kpt #: 82 total cpu time spent up to now is 16.1 secs Computing kpt #: 83 total cpu time spent up to now is 16.2 secs Computing kpt #: 84 total cpu time spent up to now is 16.3 secs Computing kpt #: 85 total cpu time spent up to now is 16.5 secs Computing kpt #: 86 total cpu time spent up to now is 16.6 secs Computing kpt #: 87 total cpu time spent up to now is 16.7 secs Computing kpt #: 88 total cpu time spent up to now is 16.8 secs Computing kpt #: 89 total cpu time spent up to now is 17.1 secs Computing kpt #: 90 total cpu time spent up to now is 17.2 secs Computing kpt #: 91 total cpu time spent up to now is 17.4 secs Computing kpt #: 92 total cpu time spent up to now is 17.5 secs Computing kpt #: 93 total cpu time spent up to now is 17.6 secs Computing kpt #: 94 total cpu time spent up to now is 17.7 secs Computing kpt #: 95 total cpu time spent up to now is 17.9 secs Computing kpt #: 96 total cpu time spent up to now is 18.0 secs Computing kpt #: 97 total cpu time spent up to now is 18.1 secs Computing kpt #: 98 total cpu time spent up to now is 18.3 secs Computing kpt #: 99 total cpu time spent up to now is 18.4 secs Computing kpt #: 100 total cpu time spent up to now is 18.5 secs Computing kpt #: 101 total cpu time spent up to now is 18.7 secs Computing kpt #: 102 total cpu time spent up to now is 18.8 secs Computing kpt #: 103 total cpu time spent up to now is 19.0 secs Computing kpt #: 104 total cpu time spent up to now is 19.1 secs Computing kpt #: 105 total cpu time spent up to now is 19.3 secs Computing kpt #: 106 total cpu time spent up to now is 19.4 secs Computing kpt #: 107 total cpu time spent up to now is 19.6 secs Computing kpt #: 108 total cpu time spent up to now is 19.8 secs Computing kpt #: 109 total cpu time spent up to now is 20.1 secs Computing kpt #: 110 total cpu time spent up to now is 20.4 secs Computing kpt #: 111 total cpu time spent up to now is 20.7 secs Computing kpt #: 112 total cpu time spent up to now is 20.9 secs Computing kpt #: 113 total cpu time spent up to now is 21.2 secs Computing kpt #: 114 total cpu time spent up to now is 21.4 secs Computing kpt #: 115 total cpu time spent up to now is 21.6 secs Computing kpt #: 116 total cpu time spent up to now is 21.8 secs Computing kpt #: 117 total cpu time spent up to now is 22.0 secs Computing kpt #: 118 total cpu time spent up to now is 22.1 secs Computing kpt #: 119 total cpu time spent up to now is 22.3 secs Computing kpt #: 120 total cpu time spent up to now is 22.5 secs Computing kpt #: 121 total cpu time spent up to now is 22.7 secs Computing kpt #: 122 total cpu time spent up to now is 22.9 secs Computing kpt #: 123 total cpu time spent up to now is 23.0 secs Computing kpt #: 124 total cpu time spent up to now is 23.2 secs Computing kpt #: 125 total cpu time spent up to now is 23.4 secs Computing kpt #: 126 total cpu time spent up to now is 23.6 secs Computing kpt #: 127 total cpu time spent up to now is 23.8 secs Computing kpt #: 128 total cpu time spent up to now is 24.0 secs Computing kpt #: 129 total cpu time spent up to now is 24.2 secs Computing kpt #: 130 total cpu time spent up to now is 24.4 secs Computing kpt #: 131 total cpu time spent up to now is 24.5 secs Computing kpt #: 132 total cpu time spent up to now is 24.7 secs Computing kpt #: 133 total cpu time spent up to now is 24.8 secs Computing kpt #: 134 total cpu time spent up to now is 25.0 secs Computing kpt #: 135 total cpu time spent up to now is 25.1 secs Computing kpt #: 136 total cpu time spent up to now is 25.2 secs Computing kpt #: 137 total cpu time spent up to now is 25.4 secs Computing kpt #: 138 total cpu time spent up to now is 25.5 secs Computing kpt #: 139 total cpu time spent up to now is 25.6 secs Computing kpt #: 140 total cpu time spent up to now is 25.7 secs Computing kpt #: 141 total cpu time spent up to now is 25.9 secs Computing kpt #: 142 total cpu time spent up to now is 26.0 secs Computing kpt #: 143 total cpu time spent up to now is 26.1 secs Computing kpt #: 144 total cpu time spent up to now is 26.2 secs Computing kpt #: 145 total cpu time spent up to now is 26.4 secs Computing kpt #: 146 total cpu time spent up to now is 26.5 secs Computing kpt #: 147 total cpu time spent up to now is 26.6 secs Computing kpt #: 148 total cpu time spent up to now is 26.7 secs Computing kpt #: 149 total cpu time spent up to now is 26.9 secs Computing kpt #: 150 total cpu time spent up to now is 27.0 secs Computing kpt #: 151 total cpu time spent up to now is 27.1 secs Computing kpt #: 152 total cpu time spent up to now is 27.2 secs Computing kpt #: 153 total cpu time spent up to now is 27.4 secs Computing kpt #: 154 total cpu time spent up to now is 27.5 secs Computing kpt #: 155 total cpu time spent up to now is 27.6 secs Computing kpt #: 156 total cpu time spent up to now is 27.7 secs Computing kpt #: 157 total cpu time spent up to now is 27.9 secs Computing kpt #: 158 total cpu time spent up to now is 28.0 secs Computing kpt #: 159 total cpu time spent up to now is 28.1 secs Computing kpt #: 160 total cpu time spent up to now is 28.2 secs Computing kpt #: 161 total cpu time spent up to now is 28.4 secs Computing kpt #: 162 total cpu time spent up to now is 28.5 secs Computing kpt #: 163 total cpu time spent up to now is 28.6 secs Computing kpt #: 164 total cpu time spent up to now is 28.8 secs Computing kpt #: 165 total cpu time spent up to now is 28.9 secs Computing kpt #: 166 total cpu time spent up to now is 29.1 secs Computing kpt #: 167 total cpu time spent up to now is 29.2 secs Computing kpt #: 168 total cpu time spent up to now is 29.3 secs Computing kpt #: 169 total cpu time spent up to now is 29.4 secs Computing kpt #: 170 total cpu time spent up to now is 29.6 secs Computing kpt #: 171 total cpu time spent up to now is 29.7 secs Computing kpt #: 172 total cpu time spent up to now is 29.8 secs Computing kpt #: 173 total cpu time spent up to now is 29.9 secs Computing kpt #: 174 total cpu time spent up to now is 30.1 secs Computing kpt #: 175 total cpu time spent up to now is 30.2 secs Computing kpt #: 176 total cpu time spent up to now is 30.3 secs Computing kpt #: 177 total cpu time spent up to now is 30.5 secs Computing kpt #: 178 total cpu time spent up to now is 30.6 secs Computing kpt #: 179 total cpu time spent up to now is 30.7 secs Computing kpt #: 180 total cpu time spent up to now is 30.9 secs Computing kpt #: 181 total cpu time spent up to now is 31.0 secs Computing kpt #: 182 total cpu time spent up to now is 31.1 secs Computing kpt #: 183 total cpu time spent up to now is 31.3 secs Computing kpt #: 184 total cpu time spent up to now is 31.4 secs Computing kpt #: 185 total cpu time spent up to now is 31.5 secs Computing kpt #: 186 total cpu time spent up to now is 31.7 secs Computing kpt #: 187 total cpu time spent up to now is 31.8 secs Computing kpt #: 188 total cpu time spent up to now is 31.9 secs Computing kpt #: 189 total cpu time spent up to now is 32.0 secs Computing kpt #: 190 total cpu time spent up to now is 32.2 secs Computing kpt #: 191 total cpu time spent up to now is 32.3 secs Computing kpt #: 192 total cpu time spent up to now is 32.4 secs Computing kpt #: 193 total cpu time spent up to now is 32.5 secs Computing kpt #: 194 total cpu time spent up to now is 32.7 secs Computing kpt #: 195 total cpu time spent up to now is 32.8 secs Computing kpt #: 196 total cpu time spent up to now is 32.9 secs Computing kpt #: 197 total cpu time spent up to now is 33.1 secs Computing kpt #: 198 total cpu time spent up to now is 33.2 secs Computing kpt #: 199 total cpu time spent up to now is 33.3 secs Computing kpt #: 200 total cpu time spent up to now is 33.4 secs Computing kpt #: 201 total cpu time spent up to now is 33.6 secs Computing kpt #: 202 total cpu time spent up to now is 33.7 secs Computing kpt #: 203 total cpu time spent up to now is 33.8 secs Computing kpt #: 204 total cpu time spent up to now is 34.0 secs Computing kpt #: 205 total cpu time spent up to now is 34.1 secs Computing kpt #: 206 total cpu time spent up to now is 34.2 secs Computing kpt #: 207 total cpu time spent up to now is 34.3 secs Computing kpt #: 208 total cpu time spent up to now is 34.5 secs Computing kpt #: 209 total cpu time spent up to now is 34.6 secs Computing kpt #: 210 total cpu time spent up to now is 34.7 secs Computing kpt #: 211 total cpu time spent up to now is 34.9 secs Computing kpt #: 212 total cpu time spent up to now is 35.0 secs Computing kpt #: 213 total cpu time spent up to now is 35.1 secs Computing kpt #: 214 total cpu time spent up to now is 35.2 secs Computing kpt #: 215 total cpu time spent up to now is 35.4 secs Computing kpt #: 216 total cpu time spent up to now is 35.5 secs Computing kpt #: 217 total cpu time spent up to now is 35.6 secs Computing kpt #: 218 total cpu time spent up to now is 35.8 secs Computing kpt #: 219 total cpu time spent up to now is 35.9 secs Computing kpt #: 220 total cpu time spent up to now is 36.1 secs Computing kpt #: 221 total cpu time spent up to now is 36.2 secs Computing kpt #: 222 total cpu time spent up to now is 36.3 secs Computing kpt #: 223 total cpu time spent up to now is 36.5 secs Computing kpt #: 224 total cpu time spent up to now is 36.6 secs Computing kpt #: 225 total cpu time spent up to now is 36.7 secs Computing kpt #: 226 total cpu time spent up to now is 36.9 secs Computing kpt #: 227 total cpu time spent up to now is 37.0 secs Computing kpt #: 228 total cpu time spent up to now is 37.1 secs Computing kpt #: 229 total cpu time spent up to now is 37.2 secs Computing kpt #: 230 total cpu time spent up to now is 37.4 secs Computing kpt #: 231 total cpu time spent up to now is 37.5 secs Computing kpt #: 232 total cpu time spent up to now is 37.6 secs Computing kpt #: 233 total cpu time spent up to now is 37.7 secs Computing kpt #: 234 total cpu time spent up to now is 37.9 secs Computing kpt #: 235 total cpu time spent up to now is 38.0 secs Computing kpt #: 236 total cpu time spent up to now is 38.1 secs Computing kpt #: 237 total cpu time spent up to now is 38.3 secs Computing kpt #: 238 total cpu time spent up to now is 38.4 secs Computing kpt #: 239 total cpu time spent up to now is 38.5 secs Computing kpt #: 240 total cpu time spent up to now is 38.7 secs Computing kpt #: 241 total cpu time spent up to now is 38.8 secs Computing kpt #: 242 total cpu time spent up to now is 38.9 secs Computing kpt #: 243 total cpu time spent up to now is 39.1 secs Computing kpt #: 244 total cpu time spent up to now is 39.2 secs Computing kpt #: 245 total cpu time spent up to now is 39.4 secs Computing kpt #: 246 total cpu time spent up to now is 39.6 secs Computing kpt #: 247 total cpu time spent up to now is 39.7 secs Computing kpt #: 248 total cpu time spent up to now is 39.9 secs Computing kpt #: 249 total cpu time spent up to now is 40.1 secs Computing kpt #: 250 total cpu time spent up to now is 40.3 secs Computing kpt #: 251 total cpu time spent up to now is 40.4 secs Computing kpt #: 252 total cpu time spent up to now is 40.6 secs Computing kpt #: 253 total cpu time spent up to now is 40.9 secs Computing kpt #: 254 total cpu time spent up to now is 41.1 secs Computing kpt #: 255 total cpu time spent up to now is 41.4 secs Computing kpt #: 256 total cpu time spent up to now is 41.7 secs Computing kpt #: 257 total cpu time spent up to now is 41.9 secs Computing kpt #: 258 total cpu time spent up to now is 42.1 secs Computing kpt #: 259 total cpu time spent up to now is 42.3 secs Computing kpt #: 260 total cpu time spent up to now is 42.5 secs Computing kpt #: 261 total cpu time spent up to now is 42.6 secs Computing kpt #: 262 total cpu time spent up to now is 42.8 secs Computing kpt #: 263 total cpu time spent up to now is 42.9 secs Computing kpt #: 264 total cpu time spent up to now is 43.0 secs Computing kpt #: 265 total cpu time spent up to now is 43.2 secs Computing kpt #: 266 total cpu time spent up to now is 43.3 secs Computing kpt #: 267 total cpu time spent up to now is 43.4 secs Computing kpt #: 268 total cpu time spent up to now is 43.6 secs Computing kpt #: 269 total cpu time spent up to now is 43.7 secs Computing kpt #: 270 total cpu time spent up to now is 43.8 secs Computing kpt #: 271 total cpu time spent up to now is 43.9 secs Computing kpt #: 272 total cpu time spent up to now is 44.1 secs Computing kpt #: 273 total cpu time spent up to now is 44.2 secs Computing kpt #: 274 total cpu time spent up to now is 44.3 secs Computing kpt #: 275 total cpu time spent up to now is 44.5 secs Computing kpt #: 276 total cpu time spent up to now is 44.6 secs Computing kpt #: 277 total cpu time spent up to now is 44.7 secs Computing kpt #: 278 total cpu time spent up to now is 44.8 secs Computing kpt #: 279 total cpu time spent up to now is 45.0 secs Computing kpt #: 280 total cpu time spent up to now is 45.1 secs Computing kpt #: 281 total cpu time spent up to now is 45.2 secs Computing kpt #: 282 total cpu time spent up to now is 45.3 secs Computing kpt #: 283 total cpu time spent up to now is 45.5 secs Computing kpt #: 284 total cpu time spent up to now is 45.6 secs Computing kpt #: 285 total cpu time spent up to now is 45.7 secs Computing kpt #: 286 total cpu time spent up to now is 45.9 secs Computing kpt #: 287 total cpu time spent up to now is 46.0 secs Computing kpt #: 288 total cpu time spent up to now is 46.1 secs Computing kpt #: 289 total cpu time spent up to now is 46.2 secs Computing kpt #: 290 total cpu time spent up to now is 46.4 secs Computing kpt #: 291 total cpu time spent up to now is 46.5 secs Computing kpt #: 292 total cpu time spent up to now is 46.7 secs Computing kpt #: 293 total cpu time spent up to now is 46.8 secs Computing kpt #: 294 total cpu time spent up to now is 47.0 secs Computing kpt #: 295 total cpu time spent up to now is 47.3 secs Computing kpt #: 296 total cpu time spent up to now is 47.5 secs Computing kpt #: 297 total cpu time spent up to now is 47.6 secs Computing kpt #: 298 total cpu time spent up to now is 47.8 secs Computing kpt #: 299 total cpu time spent up to now is 47.9 secs Computing kpt #: 300 total cpu time spent up to now is 48.1 secs Computing kpt #: 301 total cpu time spent up to now is 48.2 secs Computing kpt #: 302 total cpu time spent up to now is 48.3 secs Computing kpt #: 303 total cpu time spent up to now is 48.5 secs Computing kpt #: 304 total cpu time spent up to now is 48.6 secs Computing kpt #: 305 total cpu time spent up to now is 48.7 secs Computing kpt #: 306 total cpu time spent up to now is 48.8 secs Computing kpt #: 307 total cpu time spent up to now is 49.0 secs Computing kpt #: 308 total cpu time spent up to now is 49.1 secs Computing kpt #: 309 total cpu time spent up to now is 49.2 secs Computing kpt #: 310 total cpu time spent up to now is 49.3 secs Computing kpt #: 311 total cpu time spent up to now is 49.5 secs Computing kpt #: 312 total cpu time spent up to now is 49.6 secs Computing kpt #: 313 total cpu time spent up to now is 49.7 secs Computing kpt #: 314 total cpu time spent up to now is 49.9 secs Computing kpt #: 315 total cpu time spent up to now is 50.0 secs Computing kpt #: 316 total cpu time spent up to now is 50.1 secs Computing kpt #: 317 total cpu time spent up to now is 50.3 secs Computing kpt #: 318 total cpu time spent up to now is 50.4 secs Computing kpt #: 319 total cpu time spent up to now is 50.5 secs Computing kpt #: 320 total cpu time spent up to now is 50.7 secs Computing kpt #: 321 total cpu time spent up to now is 50.8 secs Computing kpt #: 322 total cpu time spent up to now is 50.9 secs Computing kpt #: 323 total cpu time spent up to now is 51.1 secs Computing kpt #: 324 total cpu time spent up to now is 51.2 secs Computing kpt #: 325 total cpu time spent up to now is 51.3 secs Computing kpt #: 326 total cpu time spent up to now is 51.5 secs Computing kpt #: 327 total cpu time spent up to now is 51.6 secs Computing kpt #: 328 total cpu time spent up to now is 51.7 secs Computing kpt #: 329 total cpu time spent up to now is 51.8 secs Computing kpt #: 330 total cpu time spent up to now is 51.9 secs Computing kpt #: 331 total cpu time spent up to now is 52.1 secs Computing kpt #: 332 total cpu time spent up to now is 52.2 secs Computing kpt #: 333 total cpu time spent up to now is 52.4 secs Computing kpt #: 334 total cpu time spent up to now is 52.5 secs Computing kpt #: 335 total cpu time spent up to now is 52.6 secs Computing kpt #: 336 total cpu time spent up to now is 52.8 secs Computing kpt #: 337 total cpu time spent up to now is 52.9 secs Computing kpt #: 338 total cpu time spent up to now is 53.0 secs Computing kpt #: 339 total cpu time spent up to now is 53.2 secs Computing kpt #: 340 total cpu time spent up to now is 53.3 secs Computing kpt #: 341 total cpu time spent up to now is 53.5 secs Computing kpt #: 342 total cpu time spent up to now is 53.6 secs Computing kpt #: 343 total cpu time spent up to now is 53.8 secs Computing kpt #: 344 total cpu time spent up to now is 53.9 secs Computing kpt #: 345 total cpu time spent up to now is 54.1 secs Computing kpt #: 346 total cpu time spent up to now is 54.3 secs Computing kpt #: 347 total cpu time spent up to now is 54.5 secs Computing kpt #: 348 total cpu time spent up to now is 54.7 secs Computing kpt #: 349 total cpu time spent up to now is 54.8 secs Computing kpt #: 350 total cpu time spent up to now is 55.0 secs Computing kpt #: 351 total cpu time spent up to now is 55.3 secs Computing kpt #: 352 total cpu time spent up to now is 55.5 secs Computing kpt #: 353 total cpu time spent up to now is 55.8 secs Computing kpt #: 354 total cpu time spent up to now is 56.0 secs Computing kpt #: 355 total cpu time spent up to now is 56.3 secs Computing kpt #: 356 total cpu time spent up to now is 56.6 secs Computing kpt #: 357 total cpu time spent up to now is 56.9 secs Computing kpt #: 358 total cpu time spent up to now is 57.2 secs Computing kpt #: 359 total cpu time spent up to now is 57.4 secs Computing kpt #: 360 total cpu time spent up to now is 57.7 secs Computing kpt #: 361 total cpu time spent up to now is 58.0 secs Computing kpt #: 362 total cpu time spent up to now is 58.2 secs Computing kpt #: 363 total cpu time spent up to now is 58.5 secs Computing kpt #: 364 total cpu time spent up to now is 58.7 secs Computing kpt #: 365 total cpu time spent up to now is 59.0 secs Computing kpt #: 366 total cpu time spent up to now is 59.2 secs Computing kpt #: 367 total cpu time spent up to now is 59.5 secs Computing kpt #: 368 total cpu time spent up to now is 59.8 secs Computing kpt #: 369 total cpu time spent up to now is 60.0 secs Computing kpt #: 370 total cpu time spent up to now is 60.3 secs Computing kpt #: 371 total cpu time spent up to now is 60.6 secs Computing kpt #: 372 total cpu time spent up to now is 60.9 secs Computing kpt #: 373 total cpu time spent up to now is 61.1 secs Computing kpt #: 374 total cpu time spent up to now is 61.4 secs Computing kpt #: 375 total cpu time spent up to now is 61.6 secs ethr = 3.57E-08, avg # of iterations = 16.7 total cpu time spent up to now is 61.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -4.8866 -4.8866 4.7871 4.7871 4.7871 4.7871 4.8024 4.8024 6.7359 6.7359 6.7359 6.7359 8.1130 8.1130 8.1130 8.1130 8.2741 8.2741 8.6023 8.6023 8.6023 8.6023 9.3933 9.3933 10.3641 10.3641 10.3641 10.3641 10.4062 10.4062 13.6023 13.6023 13.7680 13.7680 13.7680 13.7680 k = 0.0088-0.0051 0.0072 ( 1471 PWs) bands (ev): -4.8859 -4.8859 4.7856 4.7856 4.7873 4.7873 4.8019 4.8019 6.7361 6.7361 6.7364 6.7364 8.1124 8.1124 8.1128 8.1128 8.2735 8.2735 8.6009 8.6009 8.6023 8.6023 9.3926 9.3926 10.3618 10.3618 10.3656 10.3656 10.4060 10.4060 13.6037 13.6037 13.7672 13.7672 13.7713 13.7713 k = 0.0175-0.0101 0.0143 ( 1491 PWs) bands (ev): -4.8837 -4.8837 4.7802 4.7802 4.7876 4.7876 4.8007 4.8007 6.7368 6.7368 6.7377 6.7377 8.1106 8.1106 8.1123 8.1123 8.2719 8.2719 8.5959 8.5959 8.6020 8.6020 9.3905 9.3905 10.3547 10.3547 10.3677 10.3677 10.4075 10.4075 13.6072 13.6072 13.7655 13.7655 13.7812 13.7812 k = 0.0263-0.0152 0.0215 ( 1507 PWs) bands (ev): -4.8802 -4.8802 4.7698 4.7698 4.7883 4.7883 4.8002 4.8002 6.7379 6.7379 6.7399 6.7399 8.1076 8.1076 8.1114 8.1114 8.2693 8.2693 8.5889 8.5889 8.6014 8.6014 9.3870 9.3870 10.3431 10.3431 10.3641 10.3641 10.4173 10.4173 13.6107 13.6107 13.7652 13.7652 13.7976 13.7976 k = 0.0351-0.0203 0.0286 ( 1507 PWs) bands (ev): -4.8751 -4.8751 4.7549 4.7549 4.7898 4.7898 4.8009 4.8009 6.7395 6.7395 6.7430 6.7430 8.1035 8.1035 8.1100 8.1100 8.2656 8.2656 8.5791 8.5791 8.6010 8.6010 9.3821 9.3821 10.3273 10.3273 10.3526 10.3526 10.4376 10.4376 13.6105 13.6105 13.7701 13.7701 13.8204 13.8204 k = 0.0439-0.0253 0.0358 ( 1519 PWs) bands (ev): -4.8687 -4.8687 4.7354 4.7354 4.7917 4.7917 4.8023 4.8023 6.7414 6.7414 6.7467 6.7467 8.0981 8.0981 8.1081 8.1081 8.2610 8.2610 8.5666 8.5666 8.6000 8.6000 9.3759 9.3759 10.3072 10.3072 10.3350 10.3350 10.4664 10.4664 13.6028 13.6028 13.7842 13.7842 13.8494 13.8494 k = 0.0526-0.0304 0.0430 ( 1527 PWs) bands (ev): -4.8608 -4.8608 4.7117 4.7117 4.7940 4.7940 4.8043 4.8043 6.7437 6.7437 6.7514 6.7514 8.0915 8.0915 8.1056 8.1056 8.2553 8.2553 8.5516 8.5516 8.5993 8.5993 9.3685 9.3685 10.2832 10.2832 10.3126 10.3126 10.5022 10.5022 13.5861 13.5861 13.8092 13.8092 13.8845 13.8845 k = 0.0614-0.0355 0.0501 ( 1527 PWs) bands (ev): -4.8516 -4.8516 4.6841 4.6841 4.7968 4.7968 4.8067 4.8067 6.7465 6.7465 6.7569 6.7569 8.0841 8.0841 8.1027 8.1027 8.2490 8.2490 8.5342 8.5342 8.5986 8.5986 9.3600 9.3600 10.2554 10.2554 10.2862 10.2862 10.5443 10.5443 13.5615 13.5615 13.8442 13.8442 13.9255 13.9255 k = 0.0702-0.0405 0.0573 ( 1527 PWs) bands (ev): -4.8409 -4.8409 4.6529 4.6529 4.7999 4.7999 4.8096 4.8096 6.7498 6.7498 6.7632 6.7632 8.0757 8.0757 8.0990 8.0990 8.2419 8.2419 8.5144 8.5144 8.5978 8.5978 9.3503 9.3503 10.2242 10.2242 10.2563 10.2563 10.5920 10.5920 13.5307 13.5307 13.8878 13.8878 13.9720 13.9720 k = 0.0789-0.0456 0.0645 ( 1523 PWs) bands (ev): -4.8289 -4.8289 4.6183 4.6183 4.8034 4.8034 4.8128 4.8128 6.7535 6.7535 6.7702 6.7702 8.0665 8.0665 8.0946 8.0946 8.2341 8.2341 8.4925 8.4925 8.5970 8.5970 9.3396 9.3396 10.1899 10.1899 10.2230 10.2230 10.6450 10.6450 13.4953 13.4953 13.9386 13.9386 14.0239 14.0239 k = 0.0877-0.0506 0.0716 ( 1523 PWs) bands (ev): -4.8156 -4.8156 4.5805 4.5805 4.8074 4.8074 4.8165 4.8165 6.7575 6.7575 6.7778 6.7778 8.0562 8.0562 8.0892 8.0892 8.2256 8.2256 8.4688 8.4688 8.5960 8.5960 9.3278 9.3278 10.1526 10.1526 10.1868 10.1868 10.7027 10.7027 13.4565 13.4565 13.9958 13.9958 14.0809 14.0809 k = 0.0965-0.0557 0.0788 ( 1523 PWs) bands (ev): -4.8009 -4.8009 4.5399 4.5399 4.8117 4.8117 4.8205 4.8205 6.7620 6.7620 6.7860 6.7860 8.0451 8.0451 8.0827 8.0827 8.2163 8.2163 8.4434 8.4434 8.5950 8.5950 9.3151 9.3151 10.1127 10.1127 10.1479 10.1479 10.7648 10.7648 13.4150 13.4150 14.0587 14.0587 14.1428 14.1428 k = 0.1053-0.0608 0.0859 ( 1531 PWs) bands (ev): -4.7850 -4.7850 4.4967 4.4967 4.8164 4.8164 4.8248 4.8248 6.7665 6.7665 6.7946 6.7946 8.0332 8.0332 8.0750 8.0750 8.2060 8.2060 8.4170 8.4170 8.5940 8.5940 9.3015 9.3015 10.0705 10.0705 10.1065 10.1065 10.8307 10.8307 13.3716 13.3716 14.1268 14.1268 14.2093 14.2093 k = 0.1140-0.0658 0.0931 ( 1531 PWs) bands (ev): -4.7678 -4.7678 4.4511 4.4511 4.8214 4.8214 4.8295 4.8295 6.7716 6.7716 6.8038 6.8038 8.0207 8.0207 8.0662 8.0662 8.1945 8.1945 8.3902 8.3902 8.5929 8.5929 9.2870 9.2870 10.0262 10.0262 10.0630 10.0630 10.9000 10.9000 13.3269 13.3269 14.1997 14.1997 14.2802 14.2802 k = 0.1228-0.0709 0.1003 ( 1531 PWs) bands (ev): -4.7494 -4.7494 4.4035 4.4035 4.8268 4.8268 4.8345 4.8345 6.7771 6.7771 6.8134 6.8134 8.0076 8.0076 8.0562 8.0562 8.1812 8.1812 8.3637 8.3637 8.5918 8.5918 9.2716 9.2716 9.9801 9.9801 10.0177 10.0177 10.9722 10.9722 13.2814 13.2814 14.2770 14.2770 14.3553 14.3553 k = 0.1316-0.0760 0.1074 ( 1531 PWs) bands (ev): -4.7298 -4.7298 4.3541 4.3541 4.8326 4.8326 4.8398 4.8398 6.7829 6.7829 6.8234 6.8234 7.9940 7.9940 8.0448 8.0448 8.1652 8.1652 8.3386 8.3386 8.5906 8.5906 9.2554 9.2554 9.9324 9.9324 9.9706 9.9706 11.0468 11.0468 13.2355 13.2355 14.3585 14.3585 14.4343 14.4343 k = 0.1404-0.0810 0.1146 ( 1535 PWs) bands (ev): -4.7091 -4.7091 4.3032 4.3032 4.8386 4.8386 4.8454 4.8454 6.7890 6.7890 6.8335 6.8335 7.9799 7.9799 8.0321 8.0321 8.1457 8.1457 8.3160 8.3160 8.5894 8.5894 9.2385 9.2385 9.8834 9.8834 9.9221 9.9221 11.1233 11.1233 13.1894 13.1894 14.4440 14.4440 14.5171 14.5171 k = 0.1491-0.0861 0.1218 ( 1535 PWs) bands (ev): -4.6873 -4.6873 4.2509 4.2509 4.8450 4.8450 4.8513 4.8513 6.7955 6.7955 6.8440 6.8440 7.9655 7.9655 8.0181 8.0181 8.1220 8.1220 8.2969 8.2969 8.5881 8.5881 9.2208 9.2208 9.8332 9.8332 9.8724 9.8724 11.2012 11.2012 13.1437 13.1437 14.5331 14.5331 14.6035 14.6035 k = 0.1579-0.0912 0.1289 ( 1551 PWs) bands (ev): -4.6644 -4.6644 4.1972 4.1972 4.8516 4.8516 4.8575 4.8575 6.8022 6.8022 6.8545 6.8545 7.9508 7.9508 8.0026 8.0026 8.0939 8.0939 8.2814 8.2814 8.5864 8.5864 9.2022 9.2022 9.7821 9.7821 9.8216 9.8216 11.2799 11.2799 13.0983 13.0983 14.6257 14.6257 14.6933 14.6933 k = 0.1667-0.0962 0.1361 ( 1551 PWs) bands (ev): -4.6405 -4.6405 4.1430 4.1430 4.8585 4.8585 4.8639 4.8639 6.8091 6.8091 6.8651 6.8651 7.9360 7.9360 7.9853 7.9853 8.0626 8.0626 8.2697 8.2697 8.5851 8.5851 9.1832 9.1832 9.7301 9.7301 9.7700 9.7700 11.3590 11.3590 13.0537 13.0537 14.7216 14.7216 14.7863 14.7863 k = 0.1754-0.1013 0.1432 ( 1547 PWs) bands (ev): -4.6156 -4.6156 4.0881 4.0881 4.8657 4.8657 4.8705 4.8705 6.8163 6.8163 6.8756 6.8756 7.9210 7.9210 7.9655 7.9655 8.0299 8.0299 8.2610 8.2610 8.5837 8.5837 9.1638 9.1638 9.6776 9.6776 9.7177 9.7177 11.4378 11.4378 13.0100 13.0100 14.8206 14.8206 14.8825 14.8825 k = 0.1842-0.1064 0.1504 ( 1551 PWs) bands (ev): -4.5899 -4.5899 4.0327 4.0327 4.8731 4.8731 4.8773 4.8773 6.8237 6.8237 6.8860 6.8860 7.9060 7.9060 7.9410 7.9410 7.9980 7.9980 8.2545 8.2545 8.5824 8.5824 9.1438 9.1438 9.6246 9.6246 9.6649 9.6649 11.5158 11.5158 12.9673 12.9673 14.9226 14.9226 14.9817 14.9817 k = 0.1930-0.1114 0.1576 ( 1551 PWs) bands (ev): -4.5633 -4.5633 3.9770 3.9770 4.8807 4.8807 4.8843 4.8843 6.8313 6.8313 6.8961 6.8961 7.8911 7.8911 7.9100 7.9100 7.9702 7.9702 8.2497 8.2497 8.5810 8.5810 9.1234 9.1234 9.5713 9.5713 9.6117 9.6117 11.5923 11.5923 12.9258 12.9258 15.0275 15.0275 15.0837 15.0837 k = 0.2018-0.1165 0.1647 ( 1555 PWs) bands (ev): -4.5360 -4.5360 3.9212 3.9212 4.8885 4.8885 4.8914 4.8914 6.8391 6.8391 6.9059 6.9059 7.8722 7.8722 7.8764 7.8764 7.9469 7.9469 8.2462 8.2462 8.5796 8.5796 9.1026 9.1026 9.5178 9.5178 9.5582 9.5582 11.6668 11.6668 12.8855 12.8855 15.1351 15.1351 15.1886 15.1886 k = 0.2105-0.1215 0.1719 ( 1555 PWs) bands (ev): -4.5079 -4.5079 3.8654 3.8654 4.8965 4.8965 4.8987 4.8987 6.8471 6.8471 6.9153 6.9153 7.8304 7.8304 7.8619 7.8619 7.9267 7.9267 8.2436 8.2436 8.5781 8.5781 9.0816 9.0816 9.4643 9.4643 9.5047 9.5047 11.7386 11.7386 12.8464 12.8464 15.2454 15.2454 15.2960 15.2960 k = 0.2193-0.1266 0.1791 ( 1559 PWs) bands (ev): -4.4792 -4.4792 3.8098 3.8098 4.9046 4.9046 4.9061 4.9061 6.8551 6.8551 6.9241 6.9241 7.7860 7.7860 7.8477 7.8477 7.9081 7.9081 8.2416 8.2416 8.5766 8.5766 9.0604 9.0604 9.4108 9.4108 9.4513 9.4513 11.8071 11.8071 12.8087 12.8087 15.3582 15.3582 15.4061 15.4061 k = 0.2281-0.1317 0.1862 ( 1559 PWs) bands (ev): -4.4499 -4.4499 3.7546 3.7546 4.9128 4.9128 4.9136 4.9136 6.8633 6.8633 6.9323 6.9323 7.7402 7.7402 7.8339 7.8339 7.8904 7.8904 8.2405 8.2405 8.5751 8.5751 9.0390 9.0390 9.3575 9.3575 9.3982 9.3982 11.8717 11.8717 12.7724 12.7724 15.4734 15.4734 15.5186 15.5186 k = 0.2368-0.1367 0.1934 ( 1559 PWs) bands (ev): -4.4201 -4.4201 3.6998 3.6998 4.9212 4.9212 4.9212 4.9212 6.8715 6.8715 6.9398 6.9398 7.6936 7.6936 7.8205 7.8205 7.8735 7.8735 8.2398 8.2398 8.5736 8.5736 9.0176 9.0176 9.3044 9.3044 9.3454 9.3454 11.9320 11.9320 12.7375 12.7375 15.5909 15.5909 15.6335 15.6335 k = 0.2456-0.1418 0.2005 ( 1587 PWs) bands (ev): -4.3899 -4.3899 3.6454 3.6454 4.9286 4.9286 4.9294 4.9294 6.8795 6.8795 6.9462 6.9462 7.6465 7.6465 7.8072 7.8072 7.8566 7.8566 8.2390 8.2390 8.5719 8.5719 8.9962 8.9962 9.2516 9.2516 9.2930 9.2930 11.9874 11.9874 12.7040 12.7040 15.7108 15.7108 15.7508 15.7508 k = 0.2544-0.1469 0.2077 ( 1587 PWs) bands (ev): -4.3594 -4.3594 3.5919 3.5919 4.9362 4.9362 4.9379 4.9379 6.8879 6.8879 6.9520 6.9520 7.5994 7.5994 7.7950 7.7950 7.8408 7.8408 8.2390 8.2390 8.5703 8.5703 8.9748 8.9748 9.1994 9.1994 9.2415 9.2415 12.0374 12.0374 12.6720 12.6720 15.8328 15.8328 15.8703 15.8703 k = 0.2632-0.1519 0.2149 ( 1571 PWs) bands (ev): -4.3286 -4.3286 3.5393 3.5393 4.9440 4.9440 4.9466 4.9466 6.8962 6.8962 6.9572 6.9572 7.5524 7.5524 7.7836 7.7836 7.8258 7.8258 8.2391 8.2391 8.5686 8.5686 8.9535 8.9535 9.1478 9.1478 9.1912 9.1912 12.0818 12.0818 12.6413 12.6413 15.9569 15.9569 15.9920 15.9920 k = 0.2719-0.1570 0.2220 ( 1571 PWs) bands (ev): -4.2977 -4.2977 3.4875 3.4875 4.9517 4.9517 4.9551 4.9551 6.9045 6.9045 6.9609 6.9609 7.5058 7.5058 7.7728 7.7728 7.8113 7.8113 8.2395 8.2395 8.5669 8.5669 8.9319 8.9319 9.0968 9.0968 9.1421 9.1421 12.1204 12.1204 12.6120 12.6120 16.0831 16.0831 16.1158 16.1158 k = 0.2807-0.1621 0.2292 ( 1571 PWs) bands (ev): -4.2666 -4.2666 3.4367 3.4367 4.9592 4.9592 4.9636 4.9636 6.9128 6.9128 6.9635 6.9635 7.4597 7.4597 7.7627 7.7627 7.7975 7.7975 8.2399 8.2399 8.5650 8.5650 8.9099 8.9099 9.0465 9.0465 9.0949 9.0949 12.1530 12.1530 12.5841 12.5841 16.2114 16.2114 16.2416 16.2416 k = 0.2895-0.1671 0.2364 ( 1572 PWs) bands (ev): -4.2357 -4.2357 3.3871 3.3871 4.9667 4.9667 4.9720 4.9720 6.9210 6.9210 6.9650 6.9650 7.4143 7.4143 7.7535 7.7535 7.7844 7.7844 8.2404 8.2404 8.5630 8.5630 8.8871 8.8871 8.9970 8.9970 9.0501 9.0501 12.1797 12.1797 12.5576 12.5576 16.2532 16.2532 16.3415 16.3415 k = 0.2982-0.1722 0.2435 ( 1572 PWs) bands (ev): -4.2048 -4.2048 3.3386 3.3386 4.9741 4.9741 4.9804 4.9804 6.9291 6.9291 6.9653 6.9653 7.3698 7.3698 7.7451 7.7451 7.7721 7.7721 8.2410 8.2410 8.5608 8.5608 8.8629 8.8629 8.9484 8.9484 9.0085 9.0085 12.2007 12.2007 12.5324 12.5324 16.2684 16.2684 16.4735 16.4735 k = 0.3070-0.1773 0.2507 ( 1572 PWs) bands (ev): -4.1742 -4.1742 3.2915 3.2915 4.9814 4.9814 4.9886 4.9886 6.9371 6.9371 6.9645 6.9645 7.3263 7.3263 7.7377 7.7377 7.7606 7.7606 8.2416 8.2416 8.5582 8.5582 8.8365 8.8365 8.9008 8.9008 8.9713 8.9713 12.2162 12.2162 12.5084 12.5084 16.2934 16.2934 16.6074 16.6074 k = 0.3158-0.1823 0.2578 ( 1572 PWs) bands (ev): -4.1438 -4.1438 3.2458 3.2458 4.9885 4.9885 4.9967 4.9967 6.9449 6.9449 6.9625 6.9625 7.2838 7.2838 7.7313 7.7313 7.7500 7.7500 8.2422 8.2422 8.5551 8.5551 8.8075 8.8075 8.8542 8.8542 8.9391 8.9391 12.2266 12.2266 12.4858 12.4858 16.3275 16.3275 16.7429 16.7429 k = 0.3246-0.1874 0.2650 ( 1580 PWs) bands (ev): -4.1140 -4.1140 3.2014 3.2014 4.9954 4.9954 5.0046 5.0046 6.9526 6.9526 6.9593 6.9593 7.2426 7.2426 7.7258 7.7258 7.7402 7.7402 8.2428 8.2428 8.5511 8.5511 8.7760 8.7760 8.8087 8.8087 8.9123 8.9123 12.2324 12.2324 12.4645 12.4645 16.3700 16.3700 16.8802 16.8802 k = 0.3333-0.1925 0.2722 ( 1580 PWs) bands (ev): -4.0846 -4.0846 3.1587 3.1587 5.0022 5.0022 5.0123 5.0123 6.9550 6.9550 6.9601 6.9601 7.2028 7.2028 7.7215 7.7215 7.7314 7.7314 8.2433 8.2433 8.5459 8.5459 8.7430 8.7430 8.7645 8.7645 8.8904 8.8904 12.2341 12.2341 12.4443 12.4443 16.4198 16.4198 17.0191 17.0191 k = 0.3421-0.1975 0.2793 ( 1580 PWs) bands (ev): -4.0559 -4.0559 3.1176 3.1176 5.0087 5.0087 5.0199 5.0199 6.9498 6.9498 6.9674 6.9674 7.1644 7.1644 7.7183 7.7183 7.7236 7.7236 8.2437 8.2437 8.5387 8.5387 8.7105 8.7105 8.7217 8.7217 8.8725 8.8725 12.2322 12.2322 12.4254 12.4254 16.4761 16.4761 17.1595 17.1595 k = 0.3509-0.2026 0.2865 ( 1572 PWs) bands (ev): -4.0280 -4.0280 3.0783 3.0783 5.0151 5.0151 5.0272 5.0272 6.9438 6.9438 6.9744 6.9744 7.1276 7.1276 7.7163 7.7163 7.7168 7.7168 8.2439 8.2439 8.5282 8.5282 8.6803 8.6803 8.6804 8.6804 8.8579 8.8579 12.2273 12.2273 12.4076 12.4076 16.5379 16.5379 17.3014 17.3014 k = 0.3596-0.2076 0.2937 ( 1572 PWs) bands (ev): -4.0009 -4.0009 3.0407 3.0407 5.0212 5.0212 5.0343 5.0343 6.9368 6.9368 6.9812 6.9812 7.0924 7.0924 7.7109 7.7109 7.7154 7.7154 8.2439 8.2439 8.5131 8.5131 8.6405 8.6405 8.6547 8.6547 8.8455 8.8455 12.2200 12.2200 12.3910 12.3910 16.6041 16.6041 17.4446 17.4446 k = 0.3684-0.2127 0.3008 ( 1572 PWs) bands (ev): -3.9748 -3.9748 3.0049 3.0049 5.0270 5.0270 5.0410 5.0410 6.9291 6.9291 6.9877 6.9877 7.0589 7.0589 7.7059 7.7059 7.7156 7.7156 8.2437 8.2437 8.4924 8.4924 8.6023 8.6023 8.6350 8.6350 8.8351 8.8351 12.2106 12.2106 12.3755 12.3755 16.6736 16.6736 17.5890 17.5890 k = 0.3772-0.2178 0.3080 ( 1576 PWs) bands (ev): -3.9497 -3.9497 2.9710 2.9710 5.0325 5.0325 5.0474 5.0474 6.9208 6.9208 6.9939 6.9939 7.0273 7.0273 7.7019 7.7019 7.7170 7.7170 8.2432 8.2432 8.4665 8.4665 8.5660 8.5660 8.6212 8.6212 8.8261 8.8261 12.1998 12.1998 12.3611 12.3611 16.7455 16.7455 17.7345 17.7345 k = 0.3860-0.2228 0.3151 ( 1576 PWs) bands (ev): -3.9258 -3.9258 2.9392 2.9392 5.0377 5.0377 5.0535 5.0535 6.9122 6.9122 6.9975 6.9975 6.9998 6.9998 7.6988 7.6988 7.7196 7.7196 8.2424 8.2424 8.4370 8.4370 8.5317 8.5317 8.6121 8.6121 8.8187 8.8187 12.1880 12.1880 12.3479 12.3479 16.8187 16.8187 17.8809 17.8809 k = 0.3947-0.2279 0.3223 ( 1584 PWs) bands (ev): -3.9033 -3.9033 2.9094 2.9094 5.0426 5.0426 5.0593 5.0593 6.9033 6.9033 6.9693 6.9693 7.0053 7.0053 7.6964 7.6964 7.7231 7.7231 8.2410 8.2410 8.4055 8.4055 8.4996 8.4996 8.6060 8.6060 8.8125 8.8125 12.1755 12.1755 12.3356 12.3356 16.8922 16.8922 18.0279 18.0279 k = 0.4035-0.2330 0.3295 ( 1584 PWs) bands (ev): -3.8821 -3.8821 2.8817 2.8817 5.0471 5.0471 5.0646 5.0646 6.8944 6.8944 6.9435 6.9435 7.0105 7.0105 7.6949 7.6949 7.7278 7.7278 8.2391 8.2391 8.3734 8.3734 8.4699 8.4699 8.6020 8.6020 8.8074 8.8074 12.1629 12.1629 12.3244 12.3244 16.9649 16.9649 18.1753 18.1753 k = 0.4123-0.2380 0.3366 ( 1576 PWs) bands (ev): -3.8624 -3.8624 2.8563 2.8563 5.0513 5.0513 5.0696 5.0696 6.8857 6.8857 6.9201 6.9201 7.0153 7.0153 7.6943 7.6943 7.7336 7.7336 8.2365 8.2365 8.3416 8.3416 8.4430 8.4430 8.5994 8.5994 8.8032 8.8032 12.1504 12.1504 12.3143 12.3143 17.0358 17.0358 18.3227 18.3228 k = 0.4211-0.2431 0.3438 ( 1576 PWs) bands (ev): -3.8442 -3.8442 2.8330 2.8330 5.0551 5.0551 5.0741 5.0741 6.8771 6.8771 6.8984 6.8984 7.0197 7.0197 7.6943 7.6943 7.7401 7.7401 8.2331 8.2331 8.3106 8.3106 8.4188 8.4188 8.5975 8.5975 8.7998 8.7998 12.1382 12.1382 12.3051 12.3051 17.1038 17.1038 18.4695 18.4696 k = 0.4298-0.2482 0.3510 ( 1576 PWs) bands (ev): -3.8277 -3.8277 2.8121 2.8121 5.0587 5.0587 5.0783 5.0783 6.8690 6.8690 6.8790 6.8790 7.0234 7.0234 7.6947 7.6947 7.7473 7.7473 8.2289 8.2289 8.2809 8.2809 8.3978 8.3978 8.5963 8.5963 8.7972 8.7972 12.1268 12.1268 12.2970 12.2970 17.1681 17.1681 18.6150 18.6152 k = 0.4386-0.2532 0.3581 ( 1576 PWs) bands (ev): -3.8130 -3.8130 2.7935 2.7935 5.0617 5.0617 5.0819 5.0819 6.8615 6.8615 6.8617 6.8617 7.0269 7.0269 7.6956 7.6956 7.7550 7.7550 8.2238 8.2238 8.2531 8.2531 8.3800 8.3800 8.5955 8.5955 8.7950 8.7950 12.1162 12.1162 12.2898 12.2898 17.2275 17.2275 18.7581 18.7581 k = 0.4474-0.2583 0.3653 ( 1584 PWs) bands (ev): -3.8001 -3.8001 2.7773 2.7773 5.0643 5.0643 5.0850 5.0850 6.8466 6.8466 6.8547 6.8547 7.0299 7.0299 7.6968 7.6968 7.7629 7.7629 8.2179 8.2179 8.2273 8.2273 8.3653 8.3653 8.5949 8.5949 8.7933 8.7933 12.1066 12.1066 12.2837 12.2837 17.2813 17.2813 18.8974 18.8974 k = 0.4561-0.2634 0.3724 ( 1584 PWs) bands (ev): -3.7890 -3.7890 2.7635 2.7635 5.0666 5.0666 5.0878 5.0878 6.8339 6.8339 6.8487 6.8487 7.0326 7.0326 7.6981 7.6981 7.7708 7.7708 8.2043 8.2043 8.2118 8.2118 8.3538 8.3538 8.5945 8.5945 8.7921 8.7921 12.0983 12.0983 12.2784 12.2784 17.3285 17.3285 19.0306 19.0307 k = 0.4649-0.2684 0.3796 ( 1584 PWs) bands (ev): -3.7799 -3.7799 2.7521 2.7521 5.0685 5.0685 5.0900 5.0900 6.8234 6.8234 6.8436 6.8436 7.0348 7.0348 7.6994 7.6994 7.7783 7.7783 8.1844 8.1844 8.2058 8.2058 8.3451 8.3451 8.5942 8.5942 8.7912 8.7912 12.0913 12.0913 12.2742 12.2742 17.3683 17.3683 19.1545 19.1545 k = 0.4737-0.2735 0.3868 ( 1588 PWs) bands (ev): -3.7727 -3.7727 2.7433 2.7433 5.0699 5.0699 5.0917 5.0917 6.8152 6.8152 6.8396 6.8396 7.0365 7.0365 7.7007 7.7007 7.7848 7.7848 8.1681 8.1681 8.2005 8.2005 8.3389 8.3389 8.5941 8.5941 8.7902 8.7902 12.0858 12.0858 12.2709 12.2709 17.4000 17.4000 19.2640 19.2641 k = 0.4825-0.2785 0.3939 ( 1588 PWs) bands (ev): -3.7676 -3.7676 2.7369 2.7369 5.0710 5.0710 5.0930 5.0930 6.8093 6.8093 6.8367 6.8367 7.0377 7.0377 7.7017 7.7017 7.7899 7.7899 8.1560 8.1560 8.1963 8.1963 8.3347 8.3347 8.5940 8.5940 8.7898 8.7898 12.0818 12.0818 12.2685 12.2685 17.4231 17.4231 19.3522 19.3523 k = 0.4912-0.2836 0.4011 ( 1588 PWs) bands (ev): -3.7645 -3.7645 2.7331 2.7331 5.0716 5.0716 5.0938 5.0938 6.8058 6.8058 6.8349 6.8349 7.0384 7.0384 7.7023 7.7023 7.7932 7.7932 8.1485 8.1485 8.1936 8.1936 8.3323 8.3323 8.5939 8.5939 8.7895 8.7895 12.0794 12.0794 12.2671 12.2671 17.4371 17.4371 19.4107 19.4107 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -3.7635 -3.7635 2.7319 2.7319 5.0718 5.0718 5.0940 5.0940 6.8047 6.8047 6.8343 6.8343 7.0387 7.0387 7.7025 7.7025 7.7944 7.7944 8.1460 8.1460 8.1926 8.1926 8.3315 8.3315 8.5939 8.5939 8.7894 8.7894 12.0785 12.0785 12.2666 12.2666 17.4418 17.4418 19.4313 19.4313 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -3.7635 -3.7635 2.7319 2.7319 5.0718 5.0718 5.0940 5.0940 6.8047 6.8047 6.8343 6.8343 7.0387 7.0387 7.7025 7.7025 7.7944 7.7944 8.1460 8.1460 8.1926 8.1926 8.3315 8.3315 8.5939 8.5939 8.7894 8.7894 12.0785 12.0785 12.2666 12.2666 17.4418 17.4418 19.4313 19.4313 k = 0.5000-0.2787 0.4153 ( 1588 PWs) bands (ev): -3.7635 -3.7635 2.7330 2.7330 5.0700 5.0700 5.0923 5.0923 6.8059 6.8059 6.8345 6.8345 7.0390 7.0390 7.7026 7.7026 7.7944 7.7944 8.1450 8.1450 8.1917 8.1917 8.3304 8.3304 8.5952 8.5952 8.7895 8.7895 12.0823 12.0823 12.2704 12.2704 17.4371 17.4371 19.4166 19.4166 k = 0.5000-0.2688 0.4223 ( 1584 PWs) bands (ev): -3.7634 -3.7634 2.7366 2.7366 5.0637 5.0637 5.0883 5.0883 6.8097 6.8097 6.8354 6.8354 7.0400 7.0400 7.7028 7.7028 7.7946 7.7946 8.1420 8.1420 8.1891 8.1891 8.3272 8.3272 8.5992 8.5992 8.7898 8.7898 12.0937 12.0937 12.2817 12.2817 17.4228 17.4228 19.3575 19.3575 k = 0.5000-0.2588 0.4294 ( 1582 PWs) bands (ev): -3.7633 -3.7633 2.7425 2.7425 5.0512 5.0512 5.0838 5.0838 6.8157 6.8157 6.8368 6.8368 7.0416 7.0416 7.7032 7.7032 7.7949 7.7949 8.1371 8.1371 8.1848 8.1848 8.3222 8.3222 8.6053 8.6053 8.7902 8.7902 12.1125 12.1125 12.3004 12.3004 17.3992 17.3992 19.2617 19.2617 k = 0.5000-0.2489 0.4364 ( 1582 PWs) bands (ev): -3.7632 -3.7632 2.7507 2.7507 5.0319 5.0319 5.0797 5.0797 6.8239 6.8239 6.8385 6.8385 7.0438 7.0438 7.7036 7.7036 7.7953 7.7953 8.1302 8.1302 8.1789 8.1789 8.3158 8.3158 8.6132 8.6132 8.7908 8.7908 12.1387 12.1387 12.3265 12.3265 17.3665 17.3665 19.1400 19.1400 k = 0.5000-0.2389 0.4434 ( 1576 PWs) bands (ev): -3.7631 -3.7631 2.7614 2.7614 5.0064 5.0064 5.0757 5.0757 6.8340 6.8340 6.8406 6.8406 7.0468 7.0468 7.7042 7.7042 7.7960 7.7960 8.1214 8.1214 8.1717 8.1717 8.3084 8.3084 8.6225 8.6225 8.7916 8.7916 12.1722 12.1722 12.3599 12.3599 17.3249 17.3249 18.9997 18.9997 k = 0.5000-0.2289 0.4505 ( 1568 PWs) bands (ev): -3.7629 -3.7629 2.7743 2.7743 4.9754 4.9754 5.0714 5.0714 6.8431 6.8431 6.8459 6.8459 7.0503 7.0503 7.7047 7.7047 7.7969 7.7969 8.1108 8.1108 8.1634 8.1634 8.3005 8.3005 8.6326 8.6326 8.7926 8.7926 12.2129 12.2129 12.4004 12.4004 17.2747 17.2747 18.8462 18.8462 k = 0.5000-0.2190 0.4575 ( 1568 PWs) bands (ev): -3.7627 -3.7627 2.7896 2.7896 4.9395 4.9395 5.0668 5.0668 6.8462 6.8462 6.8591 6.8591 7.0543 7.0543 7.7052 7.7052 7.7981 7.7981 8.0983 8.0983 8.1539 8.1539 8.2919 8.2919 8.6432 8.6432 8.7938 8.7938 12.2606 12.2606 12.4479 12.4479 17.2164 17.2164 18.6831 18.6831 k = 0.5000-0.2090 0.4646 ( 1568 PWs) bands (ev): -3.7624 -3.7624 2.8072 2.8072 4.8991 4.8991 5.0617 5.0617 6.8495 6.8495 6.8735 6.8735 7.0589 7.0589 7.7056 7.7056 7.7997 7.7997 8.0842 8.0842 8.1436 8.1436 8.2831 8.2831 8.6539 8.6539 8.7952 8.7952 12.3151 12.3151 12.5021 12.5021 17.1504 17.1504 18.5130 18.5130 k = 0.5000-0.1991 0.4716 ( 1568 PWs) bands (ev): -3.7622 -3.7622 2.8270 2.8270 4.8548 4.8548 5.0563 5.0563 6.8532 6.8532 6.8887 6.8887 7.0640 7.0640 7.7059 7.7059 7.8018 7.8018 8.0688 8.0688 8.1326 8.1326 8.2740 8.2740 8.6645 8.6645 8.7967 8.7967 12.3762 12.3762 12.5629 12.5629 17.0771 17.0771 18.3379 18.3379 k = 0.5000-0.1891 0.4786 ( 1572 PWs) bands (ev): -3.7619 -3.7619 2.8492 2.8492 4.8070 4.8070 5.0505 5.0505 6.8571 6.8571 6.9045 6.9045 7.0697 7.0697 7.7059 7.7059 7.8043 7.8043 8.0522 8.0522 8.1211 8.1211 8.2647 8.2647 8.6746 8.6746 8.7985 8.7985 12.4438 12.4438 12.6301 12.6301 16.9970 16.9970 18.1592 18.1592 k = 0.5000-0.1792 0.4857 ( 1568 PWs) bands (ev): -3.7616 -3.7616 2.8736 2.8736 4.7561 4.7561 5.0444 5.0444 6.8613 6.8613 6.9207 6.9207 7.0758 7.0758 7.7058 7.7058 7.8072 7.8072 8.0350 8.0350 8.1092 8.1092 8.2555 8.2555 8.6844 8.6844 8.8005 8.8005 12.5177 12.5177 12.7033 12.7033 16.9105 16.9105 17.9779 17.9779 k = 0.5000-0.1692 0.4927 ( 1568 PWs) bands (ev): -3.7614 -3.7614 2.9002 2.9002 4.7024 4.7024 5.0382 5.0382 6.8655 6.8655 6.9370 6.9370 7.0823 7.0823 7.7054 7.7054 7.8107 7.8107 8.0172 8.0172 8.0970 8.0970 8.2460 8.2460 8.6937 8.6937 8.8026 8.8026 12.5975 12.5975 12.7823 12.7823 16.8181 16.8181 17.7950 17.7950 k = 0.5000-0.1593 0.4998 ( 1572 PWs) bands (ev): -3.7611 -3.7611 2.9290 2.9290 4.6464 4.6464 5.0317 5.0317 6.8700 6.8700 6.9532 6.9532 7.0892 7.0892 7.7048 7.7048 7.8145 7.8145 7.9989 7.9989 8.0846 8.0846 8.2364 8.2364 8.7022 8.7022 8.8049 8.8049 12.6830 12.6830 12.8669 12.8669 16.7203 16.7203 17.6111 17.6111 k = 0.5000-0.1493 0.5068 ( 1572 PWs) bands (ev): -3.7607 -3.7607 2.9601 2.9601 4.5884 4.5884 5.0252 5.0252 6.8747 6.8747 6.9692 6.9692 7.0965 7.0965 7.7041 7.7041 7.8187 7.8187 7.9807 7.9807 8.0723 8.0723 8.2267 8.2267 8.7100 8.7100 8.8074 8.8074 12.7742 12.7742 12.9567 12.9567 16.6174 16.6174 17.4268 17.4268 k = 0.5000-0.1394 0.5138 ( 1576 PWs) bands (ev): -3.7604 -3.7604 2.9932 2.9932 4.5288 4.5288 5.0186 5.0186 6.8791 6.8791 6.9847 6.9847 7.1040 7.1040 7.7031 7.7031 7.8231 7.8231 7.9628 7.9628 8.0600 8.0600 8.2169 8.2169 8.7170 8.7170 8.8101 8.8101 12.8706 12.8706 13.0515 13.0515 16.5100 16.5100 17.2426 17.2426 k = 0.5000-0.1294 0.5209 ( 1570 PWs) bands (ev): -3.7601 -3.7601 3.0285 3.0285 4.4678 4.4678 5.0122 5.0122 6.8838 6.8838 6.9997 6.9997 7.1120 7.1120 7.7023 7.7023 7.8273 7.8273 7.9456 7.9456 8.0481 8.0481 8.2071 8.2071 8.7233 8.7233 8.8128 8.8128 12.9721 12.9721 13.1510 13.1510 16.3984 16.3984 17.0590 17.0590 k = 0.5000-0.1195 0.5279 ( 1570 PWs) bands (ev): -3.7598 -3.7598 3.0658 3.0658 4.4057 4.4057 5.0059 5.0059 6.8884 6.8884 7.0139 7.0139 7.1199 7.1199 7.7015 7.7015 7.8310 7.8310 7.9296 7.9296 8.0364 8.0364 8.1973 8.1973 8.7289 8.7289 8.8156 8.8156 13.0783 13.0783 13.2548 13.2548 16.2831 16.2831 16.8764 16.8764 k = 0.5000-0.1095 0.5349 ( 1570 PWs) bands (ev): -3.7595 -3.7595 3.1052 3.1052 4.3428 4.3428 4.9998 4.9998 6.8929 6.8929 7.0273 7.0273 7.1278 7.1278 7.7008 7.7008 7.8332 7.8332 7.9157 7.9157 8.0252 8.0252 8.1874 8.1874 8.7338 8.7338 8.8183 8.8183 13.1891 13.1891 13.3627 13.3627 16.1643 16.1643 16.6951 16.6951 k = 0.5000-0.0995 0.5420 ( 1574 PWs) bands (ev): -3.7592 -3.7592 3.1465 3.1465 4.2794 4.2794 4.9940 4.9940 6.8973 6.8973 7.0398 7.0398 7.1357 7.1357 7.7003 7.7003 7.8329 7.8329 7.9049 7.9049 8.0145 8.0145 8.1776 8.1776 8.7380 8.7380 8.8209 8.8209 13.3041 13.3041 13.4744 13.4744 16.0426 16.0426 16.5156 16.5156 k = 0.5000-0.0896 0.5490 ( 1566 PWs) bands (ev): -3.7590 -3.7590 3.1898 3.1898 4.2156 4.2156 4.9886 4.9886 6.9014 6.9014 7.0514 7.0514 7.1436 7.1436 7.7002 7.7002 7.8289 7.8289 7.8989 7.8989 8.0045 8.0045 8.1681 8.1681 8.7418 8.7418 8.8237 8.8237 13.4229 13.4229 13.5896 13.5896 15.9182 15.9182 16.3382 16.3382 k = 0.5000-0.0796 0.5561 ( 1570 PWs) bands (ev): -3.7587 -3.7587 3.2349 3.2349 4.1517 4.1517 4.9835 4.9835 6.9052 6.9052 7.0618 7.0618 7.1510 7.1510 7.7006 7.7006 7.8208 7.8208 7.8972 7.8972 7.9951 7.9951 8.1588 8.1588 8.7449 8.7449 8.8260 8.8260 13.5452 13.5452 13.7079 13.7079 15.7915 15.7915 16.1635 16.1635 k = 0.5000-0.0697 0.5631 ( 1572 PWs) bands (ev): -3.7585 -3.7585 3.2819 3.2819 4.0879 4.0879 4.9789 4.9789 6.9088 6.9088 7.0710 7.0710 7.1580 7.1580 7.7015 7.7015 7.8102 7.8102 7.8990 7.8990 7.9865 7.9865 8.1500 8.1500 8.7477 8.7477 8.8282 8.8282 13.6702 13.6702 13.8291 13.8291 15.6629 15.6629 15.9921 15.9921 k = 0.5000-0.0597 0.5701 ( 1572 PWs) bands (ev): -3.7583 -3.7583 3.3306 3.3306 4.0243 4.0243 4.9748 4.9748 6.9119 6.9119 7.0792 7.0792 7.1645 7.1645 7.7030 7.7030 7.7984 7.7984 7.9027 7.9027 7.9788 7.9788 8.1417 8.1417 8.7499 8.7499 8.8301 8.8301 13.7973 13.7973 13.9529 13.9529 15.5327 15.5327 15.8247 15.8247 k = 0.5000-0.0498 0.5772 ( 1572 PWs) bands (ev): -3.7581 -3.7581 3.3811 3.3811 3.9611 3.9611 4.9713 4.9713 6.9147 6.9147 7.0861 7.0861 7.1702 7.1702 7.7053 7.7053 7.7863 7.7863 7.9074 7.9074 7.9719 7.9719 8.1342 8.1342 8.7518 8.7518 8.8318 8.8318 13.9253 13.9253 14.0789 14.0789 15.4012 15.4012 15.6627 15.6627 k = 0.5000-0.0398 0.5842 ( 1572 PWs) bands (ev): -3.7580 -3.7580 3.4331 3.4331 3.8985 3.8985 4.9683 4.9683 6.9170 6.9170 7.0919 7.0919 7.1752 7.1752 7.7084 7.7084 7.7746 7.7746 7.9124 7.9124 7.9659 7.9659 8.1275 8.1275 8.7533 8.7533 8.8332 8.8332 14.0520 14.0520 14.2069 14.2069 15.2688 15.2688 15.5079 15.5079 k = 0.5000-0.0299 0.5913 ( 1568 PWs) bands (ev): -3.7578 -3.7578 3.4867 3.4867 3.8367 3.8367 4.9660 4.9660 6.9188 6.9188 7.0965 7.0965 7.1792 7.1792 7.7123 7.7123 7.7637 7.7637 7.9170 7.9170 7.9610 7.9610 8.1222 8.1222 8.7545 8.7545 8.8343 8.8343 14.1737 14.1737 14.3366 14.3366 15.1357 15.1357 15.3643 15.3643 k = 0.5000-0.0199 0.5983 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.5418 3.5418 3.7757 3.7757 4.9643 4.9643 6.9202 6.9202 7.0997 7.0997 7.1821 7.1821 7.7169 7.7169 7.7539 7.7539 7.9209 7.9209 7.9571 7.9571 8.1182 8.1182 8.7553 8.7553 8.8351 8.8351 14.2830 14.2830 14.4676 14.4676 15.0024 15.0024 15.2392 15.2392 k = 0.5000-0.0100 0.6053 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.5980 3.5980 3.7159 3.7159 4.9633 4.9633 6.9210 6.9210 7.1016 7.1016 7.1839 7.1839 7.7215 7.7215 7.7460 7.7460 7.9236 7.9236 7.9545 7.9545 8.1157 8.1157 8.7558 8.7558 8.8356 8.8356 14.3653 14.3653 14.5992 14.5992 14.8696 14.8696 15.1475 15.1475 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.6482 3.6482 3.6645 3.6645 4.9630 4.9630 6.9213 6.9213 7.1023 7.1023 7.1845 7.1845 7.7240 7.7240 7.7425 7.7425 7.9245 7.9245 7.9536 7.9536 8.1148 8.1148 8.7559 8.7559 8.8358 8.8358 14.3974 14.3974 14.7123 14.7123 14.7560 14.7560 15.1121 15.1121 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.6482 3.6482 3.6645 3.6645 4.9630 4.9630 6.9213 6.9213 7.1023 7.1023 7.1845 7.1845 7.7240 7.7240 7.7425 7.7425 7.9245 7.9245 7.9536 7.9536 8.1148 8.1148 8.7559 8.7559 8.8358 8.8358 14.3974 14.3974 14.7123 14.7123 14.7560 14.7560 15.1121 15.1121 k = 0.4938 0.0108 0.6124 ( 1564 PWs) bands (ev): -3.7579 -3.7579 3.6140 3.6140 3.6993 3.6993 4.9634 4.9634 6.9214 6.9214 7.1022 7.1022 7.1844 7.1844 7.7228 7.7228 7.7443 7.7443 7.9238 7.9238 7.9544 7.9544 8.1152 8.1152 8.7561 8.7561 8.8362 8.8362 14.3711 14.3711 14.6322 14.6322 14.8333 14.8333 15.1447 15.1447 k = 0.4875 0.0217 0.6124 ( 1564 PWs) bands (ev): -3.7586 -3.7586 3.5745 3.5745 3.7405 3.7405 4.9646 4.9646 6.9216 6.9216 7.1020 7.1020 7.1841 7.1841 7.7203 7.7203 7.7488 7.7488 7.9220 7.9220 7.9563 7.9563 8.1162 8.1162 8.7569 8.7569 8.8373 8.8373 14.2774 14.2774 14.5671 14.5671 14.9292 14.9292 15.2184 15.2184 k = 0.4813 0.0325 0.6124 ( 1570 PWs) bands (ev): -3.7596 -3.7596 3.5365 3.5365 3.7809 3.7809 4.9668 4.9668 6.9220 6.9220 7.1015 7.1015 7.1836 7.1836 7.7177 7.7177 7.7545 7.7545 7.9193 7.9193 7.9589 7.9589 8.1178 8.1178 8.7581 8.7581 8.8393 8.8393 14.1339 14.1339 14.5372 14.5372 15.0256 15.0256 15.3137 15.3137 k = 0.4750 0.0433 0.6124 ( 1570 PWs) bands (ev): -3.7610 -3.7610 3.5002 3.5002 3.8201 3.8201 4.9699 4.9699 6.9224 6.9224 7.1010 7.1010 7.1830 7.1830 7.7155 7.7155 7.7613 7.7613 7.9161 7.9161 7.9620 7.9620 8.1200 8.1200 8.7598 8.7598 8.8421 8.8421 13.9727 13.9727 14.5202 14.5202 15.1217 15.1217 15.4219 15.4219 k = 0.4688 0.0541 0.6124 ( 1572 PWs) bands (ev): -3.7626 -3.7626 3.4658 3.4658 3.8576 3.8576 4.9739 4.9739 6.9229 6.9229 7.1004 7.1004 7.1824 7.1824 7.7139 7.7139 7.7687 7.7687 7.9124 7.9124 7.9652 7.9652 8.1224 8.1224 8.7622 8.7622 8.8458 8.8458 13.8076 13.8076 14.5068 14.5068 15.2169 15.2169 15.5390 15.5390 k = 0.4625 0.0650 0.6124 ( 1570 PWs) bands (ev): -3.7644 -3.7644 3.4333 3.4333 3.8934 3.8934 4.9790 4.9790 6.9235 6.9235 7.0998 7.0998 7.1817 7.1817 7.7130 7.7130 7.7768 7.7768 7.9085 7.9085 7.9684 7.9684 8.1251 8.1251 8.7650 8.7650 8.8507 8.8507 13.6441 13.6441 14.4947 14.4947 15.3108 15.3108 15.6626 15.6626 k = 0.4562 0.0758 0.6124 ( 1576 PWs) bands (ev): -3.7663 -3.7663 3.4028 3.4028 3.9269 3.9269 4.9849 4.9849 6.9239 6.9239 7.0992 7.0992 7.1810 7.1810 7.7126 7.7126 7.7850 7.7850 7.9044 7.9044 7.9713 7.9713 8.1279 8.1279 8.7681 8.7681 8.8566 8.8566 13.4847 13.4847 14.4833 14.4833 15.4028 15.4028 15.7914 15.7914 k = 0.4500 0.0866 0.6124 ( 1579 PWs) bands (ev): -3.7683 -3.7683 3.3743 3.3743 3.9581 3.9581 4.9916 4.9916 6.9243 6.9243 7.0986 7.0986 7.1803 7.1803 7.7128 7.7128 7.7934 7.7934 7.9005 7.9005 7.9741 7.9741 8.1307 8.1307 8.7716 8.7716 8.8637 8.8637 13.3312 13.3312 14.4724 14.4724 15.4925 15.4925 15.9243 15.9243 k = 0.4437 0.0974 0.6124 ( 1574 PWs) bands (ev): -3.7704 -3.7704 3.3480 3.3480 3.9868 3.9868 4.9990 4.9990 6.9248 6.9248 7.0981 7.0981 7.1797 7.1797 7.7137 7.7137 7.8015 7.8015 7.8970 7.8970 7.9766 7.9766 8.1336 8.1336 8.7752 8.7752 8.8722 8.8722 13.1845 13.1845 14.4621 14.4621 15.5793 15.5793 16.0610 16.0610 k = 0.4375 0.1083 0.6124 ( 1571 PWs) bands (ev): -3.7724 -3.7724 3.3238 3.3238 4.0129 4.0129 5.0069 5.0069 6.9251 6.9251 7.0977 7.0977 7.1790 7.1790 7.7150 7.7150 7.8091 7.8091 7.8941 7.8941 7.9787 7.9787 8.1364 8.1364 8.7787 8.7787 8.8819 8.8819 13.0459 13.0459 14.4525 14.4525 15.6624 15.6624 16.2008 16.2008 k = 0.4313 0.1191 0.6124 ( 1572 PWs) bands (ev): -3.7744 -3.7744 3.3019 3.3019 4.0363 4.0363 5.0151 5.0151 6.9253 6.9253 7.0973 7.0973 7.1784 7.1784 7.7166 7.7166 7.8156 7.8156 7.8922 7.8922 7.9803 7.9803 8.1389 8.1389 8.7820 8.7820 8.8927 8.8927 12.9163 12.9163 14.4436 14.4436 15.7412 15.7412 16.3434 16.3434 k = 0.4250 0.1299 0.6124 ( 1568 PWs) bands (ev): -3.7763 -3.7763 3.2821 3.2821 4.0569 4.0569 5.0234 5.0234 6.9255 6.9255 7.0972 7.0972 7.1779 7.1779 7.7186 7.7186 7.8208 7.8208 7.8918 7.8918 7.9815 7.9815 8.1413 8.1413 8.7851 8.7851 8.9044 8.9044 12.7967 12.7967 14.4355 14.4355 15.8149 15.8149 16.4886 16.4886 k = 0.4188 0.1407 0.6124 ( 1568 PWs) bands (ev): -3.7780 -3.7780 3.2646 3.2646 4.0750 4.0750 5.0315 5.0315 6.9255 6.9255 7.0970 7.0970 7.1773 7.1773 7.7208 7.7208 7.8240 7.8240 7.8929 7.8929 7.9822 7.9822 8.1434 8.1434 8.7878 8.7878 8.9166 8.9166 12.6880 12.6880 14.4282 14.4282 15.8828 15.8828 16.6362 16.6362 k = 0.4125 0.1516 0.6124 ( 1564 PWs) bands (ev): -3.7796 -3.7796 3.2494 3.2494 4.0903 4.0903 5.0392 5.0392 6.9256 6.9256 7.0970 7.0970 7.1767 7.1767 7.7231 7.7231 7.8255 7.8255 7.8956 7.8956 7.9824 7.9824 8.1452 8.1452 8.7902 8.7902 8.9290 8.9290 12.5912 12.5912 14.4219 14.4219 15.9439 15.9439 16.7858 16.7858 k = 0.4062 0.1624 0.6124 ( 1564 PWs) bands (ev): -3.7810 -3.7810 3.2364 3.2364 4.1032 4.1032 5.0462 5.0462 6.9255 6.9255 7.0970 7.0970 7.1763 7.1763 7.7255 7.7255 7.8255 7.8255 7.8994 7.8994 7.9822 7.9822 8.1468 8.1468 8.7922 8.7922 8.9408 8.9408 12.5073 12.5073 14.4165 14.4165 15.9975 15.9975 16.9373 16.9373 k = 0.4000 0.1732 0.6124 ( 1566 PWs) bands (ev): -3.7821 -3.7821 3.2258 3.2258 4.1135 4.1135 5.0523 5.0523 6.9254 6.9254 7.0971 7.0971 7.1759 7.1759 7.7277 7.7277 7.8245 7.8245 7.9035 7.9035 7.9817 7.9817 8.1481 8.1481 8.7938 8.7938 8.9514 8.9514 12.4371 12.4371 14.4120 14.4120 16.0428 16.0428 17.0906 17.0906 k = 0.3937 0.1840 0.6124 ( 1569 PWs) bands (ev): -3.7831 -3.7831 3.2176 3.2176 4.1215 4.1215 5.0572 5.0572 6.9253 6.9253 7.0971 7.0971 7.1756 7.1756 7.7296 7.7296 7.8232 7.8232 7.9075 7.9075 7.9810 7.9810 8.1490 8.1490 8.7950 8.7950 8.9605 8.9605 12.3815 12.3815 14.4085 14.4085 16.0789 16.0789 17.2452 17.2452 k = 0.3875 0.1949 0.6124 ( 1565 PWs) bands (ev): -3.7837 -3.7837 3.2117 3.2117 4.1271 4.1271 5.0609 5.0609 6.9252 6.9252 7.0972 7.0972 7.1754 7.1754 7.7312 7.7312 7.8220 7.8220 7.9109 7.9109 7.9803 7.9803 8.1497 8.1497 8.7959 8.7959 8.9674 8.9674 12.3413 12.3413 14.4060 14.4060 16.1051 16.1051 17.4012 17.4012 k = 0.3812 0.2057 0.6124 ( 1568 PWs) bands (ev): -3.7841 -3.7841 3.2081 3.2081 4.1305 4.1305 5.0632 5.0632 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7322 7.7322 7.8211 7.8211 7.9130 7.9130 7.9797 7.9797 8.1502 8.1502 8.7964 8.7964 8.9717 8.9717 12.3169 12.3169 14.4045 14.4045 16.1211 16.1211 17.5580 17.5580 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.3688 0.2129 0.6022 ( 1568 PWs) bands (ev): -3.7893 -3.7893 3.2529 3.2529 4.0694 4.0694 5.0617 5.0617 6.9344 6.9344 7.1119 7.1119 7.1886 7.1886 7.7350 7.7350 7.8196 7.8196 7.8976 7.8976 7.9788 7.9788 8.1401 8.1401 8.8023 8.8023 8.9999 8.9999 12.3229 12.3229 14.5562 14.5562 16.0333 16.0333 17.6273 17.6273 k = 0.3625 0.2093 0.5920 ( 1564 PWs) bands (ev): -3.7951 -3.7951 3.3006 3.3006 4.0090 4.0090 5.0594 5.0594 6.9439 6.9439 7.1256 7.1256 7.2027 7.2027 7.7372 7.7372 7.8149 7.8149 7.8851 7.8851 7.9797 7.9797 8.1309 8.1309 8.8081 8.8081 9.0276 9.0276 12.3374 12.3374 14.6988 14.6988 15.9404 15.9404 17.5590 17.5590 k = 0.3563 0.2057 0.5818 ( 1564 PWs) bands (ev): -3.8017 -3.8017 3.3498 3.3498 3.9505 3.9505 5.0570 5.0570 6.9537 6.9537 7.1384 7.1384 7.2171 7.2171 7.7386 7.7386 7.8057 7.8057 7.8777 7.8777 7.9818 7.9818 8.1230 8.1230 8.8141 8.8141 9.0560 9.0560 12.3523 12.3523 14.8282 14.8282 15.8480 15.8480 17.4936 17.4936 k = 0.3500 0.2021 0.5715 ( 1560 PWs) bands (ev): -3.8091 -3.8091 3.4005 3.4005 3.8945 3.8945 5.0543 5.0543 6.9636 6.9636 7.1504 7.1504 7.2319 7.2319 7.7383 7.7383 7.7933 7.7933 7.8751 7.8751 7.9846 7.9846 8.1172 8.1172 8.8202 8.8202 9.0852 9.0852 12.3674 12.3674 14.9402 14.9402 15.7562 15.7562 17.4297 17.4297 k = 0.3438 0.1985 0.5613 ( 1560 PWs) bands (ev): -3.8175 -3.8175 3.4525 3.4525 3.8409 3.8409 5.0515 5.0515 6.9734 6.9734 7.1616 7.1616 7.2472 7.2472 7.7340 7.7340 7.7816 7.7816 7.8755 7.8755 7.9874 7.9874 8.1143 8.1143 8.8266 8.8266 9.1151 9.1151 12.3826 12.3826 15.0309 15.0309 15.6653 15.6653 17.3686 17.3686 k = 0.3375 0.1949 0.5511 ( 1568 PWs) bands (ev): -3.8268 -3.8268 3.5056 3.5056 3.7902 3.7902 5.0486 5.0486 6.9830 6.9830 7.1720 7.1720 7.2629 7.2629 7.7229 7.7229 7.7743 7.7743 7.8775 7.8775 7.9893 7.9893 8.1151 8.1151 8.8332 8.8332 9.1455 9.1455 12.3977 12.3977 15.0976 15.0976 15.5754 15.5754 17.3109 17.3109 k = 0.3312 0.1912 0.5409 ( 1568 PWs) bands (ev): -3.8372 -3.8372 3.5598 3.5598 3.7426 3.7426 5.0455 5.0455 6.9924 6.9924 7.1819 7.1819 7.2792 7.2792 7.7058 7.7058 7.7723 7.7723 7.8805 7.8805 7.9901 7.9901 8.1201 8.1201 8.8401 8.8401 9.1765 9.1765 12.4126 12.4126 15.1389 15.1389 15.4868 15.4868 17.2568 17.2568 k = 0.3250 0.1876 0.5307 ( 1566 PWs) bands (ev): -3.8485 -3.8485 3.6147 3.6147 3.6984 3.6984 5.0422 5.0422 7.0013 7.0013 7.1916 7.1916 7.2958 7.2958 7.6854 7.6854 7.7732 7.7732 7.8837 7.8837 7.9896 7.9896 8.1296 8.1296 8.8473 8.8473 9.2081 9.2081 12.4271 12.4271 15.1557 15.1557 15.3997 15.3997 17.2066 17.2066 k = 0.3187 0.1840 0.5205 ( 1558 PWs) bands (ev): -3.8609 -3.8609 3.6529 3.6529 3.6750 3.6750 5.0388 5.0388 7.0096 7.0096 7.2012 7.2012 7.3130 7.3130 7.6633 7.6633 7.7758 7.7758 7.8871 7.8871 7.9884 7.9884 8.1432 8.1432 8.8549 8.8549 9.2401 9.2401 12.4409 12.4409 15.1503 15.1503 15.3145 15.3145 17.1604 17.1604 k = 0.3125 0.1804 0.5103 ( 1558 PWs) bands (ev): -3.8744 -3.8744 3.6180 3.6180 3.7288 3.7288 5.0352 5.0352 7.0169 7.0169 7.2107 7.2107 7.3304 7.3304 7.6405 7.6405 7.7790 7.7790 7.8900 7.8900 7.9870 7.9870 8.1603 8.1603 8.8629 8.8629 9.2726 9.2726 12.4538 12.4538 15.1255 15.1255 15.2322 15.2322 17.1182 17.1182 k = 0.3063 0.1768 0.5001 ( 1560 PWs) bands (ev): -3.8890 -3.8890 3.5842 3.5842 3.7856 3.7856 5.0314 5.0314 7.0232 7.0232 7.2206 7.2206 7.3479 7.3479 7.6176 7.6176 7.7827 7.7827 7.8924 7.8924 7.9861 7.9861 8.1802 8.1802 8.8712 8.8712 9.3053 9.3053 12.4654 12.4654 15.0836 15.0836 15.1545 15.1545 17.0801 17.0801 k = 0.3000 0.1732 0.4899 ( 1564 PWs) bands (ev): -3.9047 -3.9047 3.5538 3.5538 3.8429 3.8429 5.0274 5.0274 7.0281 7.0281 7.2310 7.2310 7.3654 7.3654 7.5950 7.5950 7.7869 7.7869 7.8942 7.8942 7.9862 7.9862 8.2025 8.2025 8.8800 8.8800 9.3383 9.3383 12.4752 12.4752 15.0260 15.0260 15.0840 15.0840 17.0461 17.0461 k = 0.2938 0.1696 0.4797 ( 1558 PWs) bands (ev): -3.9215 -3.9215 3.5272 3.5272 3.9003 3.9003 5.0233 5.0233 7.0318 7.0318 7.2421 7.2421 7.3825 7.3825 7.5738 7.5738 7.7915 7.7915 7.8957 7.8957 7.9879 7.9879 8.2267 8.2267 8.8892 8.8892 9.3717 9.3717 12.4830 12.4830 14.9567 14.9567 15.0200 15.0200 17.0163 17.0163 k = 0.2875 0.1660 0.4695 ( 1562 PWs) bands (ev): -3.9394 -3.9394 3.5045 3.5045 3.9575 3.9575 5.0190 5.0190 7.0339 7.0339 7.2535 7.2535 7.3984 7.3984 7.5547 7.5547 7.7963 7.7963 7.8970 7.8970 7.9907 7.9907 8.2525 8.2525 8.8989 8.8989 9.4052 9.4052 12.4882 12.4882 14.8825 14.8825 14.9586 14.9586 16.9907 16.9907 k = 0.2812 0.1624 0.4593 ( 1558 PWs) bands (ev): -3.9583 -3.9583 3.4856 3.4856 4.0145 4.0145 5.0145 5.0145 7.0346 7.0346 7.2653 7.2653 7.4118 7.4118 7.5396 7.5396 7.8014 7.8014 7.8986 7.8986 7.9950 7.9950 8.2796 8.2796 8.9092 8.9092 9.4390 9.4390 12.4903 12.4903 14.8075 14.8075 14.8984 14.8984 16.9694 16.9694 k = 0.2750 0.1588 0.4491 ( 1558 PWs) bands (ev): -3.9784 -3.9784 3.4707 3.4707 4.0708 4.0708 5.0098 5.0098 7.0339 7.0339 7.2766 7.2766 7.4205 7.4205 7.5311 7.5311 7.8067 7.8067 7.9010 7.9010 8.0005 8.0005 8.3077 8.3077 8.9200 8.9200 9.4727 9.4727 12.4888 12.4888 14.7331 14.7331 14.8397 14.8397 16.9523 16.9523 k = 0.2687 0.1552 0.4389 ( 1558 PWs) bands (ev): -3.9994 -3.9994 3.4597 3.4597 4.1264 4.1264 5.0050 5.0050 7.0319 7.0319 7.2866 7.2866 7.4232 7.4232 7.5316 7.5316 7.8123 7.8123 7.9044 7.9044 8.0070 8.0070 8.3367 8.3367 8.9314 8.9314 9.5065 9.5065 12.4831 12.4831 14.6599 14.6599 14.7837 14.7837 16.9396 16.9396 k = 0.2625 0.1516 0.4287 ( 1558 PWs) bands (ev): -4.0215 -4.0215 3.4527 3.4527 4.1809 4.1809 5.0000 5.0000 7.0286 7.0286 7.2933 7.2933 7.4223 7.4223 7.5409 7.5409 7.8180 7.8180 7.9093 7.9093 8.0143 8.0143 8.3663 8.3663 8.9434 8.9434 9.5403 9.5403 12.4727 12.4727 14.5881 14.5881 14.7315 14.7315 16.9310 16.9310 k = 0.2562 0.1479 0.4185 ( 1558 PWs) bands (ev): -4.0445 -4.0445 3.4496 3.4496 4.2342 4.2342 4.9949 4.9949 7.0243 7.0243 7.2945 7.2945 7.4226 7.4226 7.5560 7.5560 7.8240 7.8240 7.9160 7.9160 8.0224 8.0224 8.3966 8.3966 8.9562 8.9562 9.5741 9.5741 12.4571 12.4571 14.5180 14.5180 14.6841 14.6841 16.9256 16.9256 k = 0.2500 0.1443 0.4082 ( 1554 PWs) bands (ev): -4.0684 -4.0684 3.4503 3.4503 4.2860 4.2860 4.9895 4.9895 7.0191 7.0191 7.2887 7.2887 7.4280 7.4280 7.5746 7.5746 7.8302 7.8302 7.9247 7.9247 8.0313 8.0313 8.4273 8.4273 8.9698 8.9698 9.6077 9.6077 12.4359 12.4359 14.4495 14.4495 14.6423 14.6423 16.8422 16.8422 k = 0.2437 0.1407 0.3980 ( 1560 PWs) bands (ev): -4.0931 -4.0931 3.4548 3.4548 4.3360 4.3360 4.9840 4.9840 7.0129 7.0129 7.2763 7.2763 7.4391 7.4391 7.5953 7.5953 7.8367 7.8367 7.9351 7.9351 8.0406 8.0406 8.4583 8.4583 8.9843 8.9843 9.6411 9.6411 12.4088 12.4088 14.3829 14.3829 14.6065 14.6065 16.7165 16.7165 k = 0.2375 0.1371 0.3878 ( 1560 PWs) bands (ev): -4.1186 -4.1186 3.4631 3.4631 4.3841 4.3841 4.9784 4.9784 7.0060 7.0060 7.2596 7.2596 7.4549 7.4549 7.6173 7.6173 7.8436 7.8436 7.9477 7.9477 8.0506 8.0506 8.4897 8.4897 8.9998 8.9998 9.6742 9.6742 12.3757 12.3757 14.3181 14.3181 14.5772 14.5772 16.5915 16.5915 k = 0.2313 0.1335 0.3776 ( 1560 PWs) bands (ev): -4.1448 -4.1448 3.4751 3.4751 4.4300 4.4300 4.9726 4.9726 6.9985 6.9985 7.2401 7.2401 7.4741 7.4741 7.6403 7.6403 7.8510 7.8510 7.9621 7.9621 8.0612 8.0612 8.5213 8.5213 9.0165 9.0165 9.7071 9.7071 12.3366 12.3366 14.2551 14.2551 14.5543 14.5543 16.4677 16.4677 k = 0.2250 0.1299 0.3674 ( 1560 PWs) bands (ev): -4.1716 -4.1716 3.4906 3.4906 4.4737 4.4737 4.9667 4.9667 6.9904 6.9904 7.2190 7.2190 7.4955 7.4955 7.6640 7.6640 7.8588 7.8588 7.9783 7.9783 8.0725 8.0725 8.5531 8.5531 9.0343 9.0343 9.7396 9.7396 12.2917 12.2917 14.1942 14.1942 14.5377 14.5377 16.3453 16.3453 k = 0.2188 0.1263 0.3572 ( 1556 PWs) bands (ev): -4.1989 -4.1989 3.5097 3.5097 4.5148 4.5148 4.9607 4.9607 6.9819 6.9819 7.1970 7.1970 7.5186 7.5186 7.6882 7.6882 7.8672 7.8672 7.9961 7.9961 8.0847 8.0847 8.5851 8.5851 9.0536 9.0536 9.7718 9.7718 12.2412 12.2412 14.1353 14.1353 14.5268 14.5268 16.2243 16.2243 k = 0.2125 0.1227 0.3470 ( 1554 PWs) bands (ev): -4.2267 -4.2267 3.5320 3.5320 4.5534 4.5534 4.9545 4.9545 6.9730 6.9730 7.1746 7.1746 7.5430 7.5430 7.7129 7.7129 7.8761 7.8761 8.0151 8.0151 8.0980 8.0980 8.6171 8.6171 9.0743 9.0743 9.8035 9.8035 12.1856 12.1856 14.0785 14.0785 14.5210 14.5210 16.1048 16.1048 k = 0.2062 0.1191 0.3368 ( 1558 PWs) bands (ev): -4.2549 -4.2549 3.5575 3.5575 4.5892 4.5892 4.9482 4.9482 6.9637 6.9637 7.1518 7.1518 7.5681 7.5681 7.7379 7.7379 7.8855 7.8855 8.0348 8.0348 8.1125 8.1125 8.6491 8.6491 9.0968 9.0968 9.8346 9.8346 12.1253 12.1253 14.0239 14.0239 14.5197 14.5197 15.9871 15.9871 k = 0.2000 0.1155 0.3266 ( 1554 PWs) bands (ev): -4.2834 -4.2834 3.5861 3.5861 4.6222 4.6222 4.9419 4.9419 6.9542 6.9542 7.1294 7.1294 7.5939 7.5939 7.7631 7.7631 7.8956 7.8956 8.0549 8.0549 8.1288 8.1288 8.6812 8.6812 9.1211 9.1211 9.8652 9.8652 12.0610 12.0610 13.9715 13.9715 14.5218 14.5218 15.8711 15.8711 k = 0.1938 0.1119 0.3164 ( 1554 PWs) bands (ev): -4.3121 -4.3121 3.6176 3.6176 4.6524 4.6524 4.9355 4.9355 6.9445 6.9445 7.1071 7.1071 7.6203 7.6203 7.7883 7.7883 7.9061 7.9061 8.0747 8.0747 8.1471 8.1471 8.7132 8.7132 9.1475 9.1475 9.8952 9.8952 11.9933 11.9933 13.9215 13.9215 14.5266 14.5266 15.7569 15.7569 k = 0.1875 0.1083 0.3062 ( 1554 PWs) bands (ev): -4.3409 -4.3409 3.6519 3.6519 4.6797 4.6797 4.9289 4.9289 6.9346 6.9346 7.0851 7.0851 7.6468 7.6468 7.8135 7.8135 7.9173 7.9173 8.0939 8.0939 8.1676 8.1676 8.7453 8.7453 9.1762 9.1762 9.9246 9.9246 11.9226 11.9226 13.8739 13.8739 14.5328 14.5328 15.6447 15.6447 k = 0.1812 0.1046 0.2960 ( 1554 PWs) bands (ev): -4.3697 -4.3697 3.6887 3.6887 4.7043 4.7043 4.9224 4.9224 6.9246 6.9246 7.0633 7.0633 7.6735 7.6735 7.8384 7.8384 7.9291 7.9291 8.1122 8.1122 8.1902 8.1902 8.7774 8.7774 9.2074 9.2074 9.9532 9.9532 11.8496 11.8496 13.8289 13.8289 14.5396 14.5396 15.5346 15.5346 k = 0.1750 0.1010 0.2858 ( 1558 PWs) bands (ev): -4.3985 -4.3985 3.7279 3.7279 4.7260 4.7260 4.9158 4.9158 6.9145 6.9145 7.0422 7.0422 7.7002 7.7002 7.8625 7.8625 7.9416 7.9416 8.1299 8.1299 8.2145 8.2145 8.8093 8.8093 9.2412 9.2412 9.9811 9.9811 11.7748 11.7748 13.7864 13.7864 14.5459 14.5459 15.4266 15.4266 k = 0.1688 0.0974 0.2756 ( 1558 PWs) bands (ev): -4.4271 -4.4271 3.7694 3.7694 4.7451 4.7451 4.9092 4.9092 6.9044 6.9044 7.0215 7.0215 7.7267 7.7267 7.8857 7.8857 7.9551 7.9551 8.1472 8.1472 8.2401 8.2401 8.8411 8.8411 9.2778 9.2778 10.0083 10.0083 11.6986 11.6986 13.7467 13.7467 14.5506 14.5506 15.3210 15.3210 k = 0.1625 0.0938 0.2654 ( 1558 PWs) bands (ev): -4.4554 -4.4554 3.8128 3.8128 4.7616 4.7616 4.9025 4.9025 6.8944 6.8944 7.0014 7.0014 7.7530 7.7530 7.9075 7.9075 7.9697 7.9697 8.1646 8.1646 8.2662 8.2662 8.8727 8.8727 9.3173 9.3173 10.0347 10.0347 11.6217 11.6217 13.7098 13.7098 14.5528 14.5528 15.2177 15.2177 k = 0.1562 0.0902 0.2552 ( 1558 PWs) bands (ev): -4.4835 -4.4835 3.8579 3.8579 4.7757 4.7757 4.8959 4.8959 6.8844 6.8844 6.9819 6.9819 7.7788 7.7788 7.9275 7.9275 7.9855 7.9855 8.1823 8.1823 8.2925 8.2925 8.9042 8.9042 9.3597 9.3597 10.0602 10.0602 11.5443 11.5443 13.6758 13.6758 14.5516 14.5516 15.1171 15.1171 k = 0.1500 0.0866 0.2449 ( 1558 PWs) bands (ev): -4.5111 -4.5111 3.9046 3.9046 4.7875 4.7875 4.8894 4.8894 6.8746 6.8746 6.9630 6.9630 7.8042 7.8042 7.9455 7.9455 8.0026 8.0026 8.2005 8.2005 8.3185 8.3185 8.9353 8.9353 9.4051 9.4051 10.0848 10.0848 11.4670 11.4670 13.6448 13.6448 14.5461 14.5461 15.0191 15.0191 k = 0.1437 0.0830 0.2347 ( 1558 PWs) bands (ev): -4.5382 -4.5382 3.9527 3.9527 4.7972 4.7972 4.8829 4.8829 6.8648 6.8648 6.9448 6.9448 7.8289 7.8289 7.9616 7.9616 8.0207 8.0207 8.2195 8.2195 8.3438 8.3438 8.9662 8.9662 9.4532 9.4532 10.1086 10.1086 11.3900 11.3900 13.6171 13.6171 14.5357 14.5357 14.9241 14.9241 k = 0.1375 0.0794 0.2245 ( 1554 PWs) bands (ev): -4.5648 -4.5648 4.0018 4.0018 4.8049 4.8049 4.8764 4.8764 6.8552 6.8552 6.9274 6.9274 7.8527 7.8527 7.9762 7.9762 8.0394 8.0394 8.2393 8.2393 8.3682 8.3682 8.9968 8.9968 9.5038 9.5038 10.1314 10.1314 11.3138 11.3138 13.5926 13.5926 14.5197 14.5197 14.8323 14.8323 k = 0.1313 0.0758 0.2143 ( 1552 PWs) bands (ev): -4.5907 -4.5907 4.0519 4.0519 4.8109 4.8109 4.8701 4.8701 6.8458 6.8458 6.9106 6.9106 7.8757 7.8757 7.9895 7.9895 8.0580 8.0580 8.2599 8.2599 8.3914 8.3914 9.0270 9.0270 9.5568 9.5568 10.1533 10.1533 11.2386 11.2386 13.5714 13.5714 14.4975 14.4975 14.7441 14.7441 k = 0.1250 0.0722 0.2041 ( 1552 PWs) bands (ev): -4.6159 -4.6159 4.1025 4.1025 4.8153 4.8153 4.8639 4.8639 6.8366 6.8366 6.8944 6.8944 7.8978 7.8978 8.0017 8.0017 8.0763 8.0763 8.2812 8.2812 8.4134 8.4134 9.0567 9.0567 9.6116 9.6116 10.1743 10.1743 11.1649 11.1649 13.5538 13.5538 14.4687 14.4687 14.6599 14.6599 k = 0.1187 0.0686 0.1939 ( 1552 PWs) bands (ev): -4.6403 -4.6403 4.1534 4.1534 4.8182 4.8182 4.8579 4.8579 6.8277 6.8277 6.8791 6.8791 7.9189 7.9189 8.0131 8.0131 8.0940 8.0940 8.3032 8.3032 8.4340 8.4340 9.0860 9.0860 9.6678 9.6678 10.1943 10.1943 11.0930 11.0930 13.5397 13.5397 14.4327 14.4327 14.5805 14.5805 k = 0.1125 0.0650 0.1837 ( 1550 PWs) bands (ev): -4.6639 -4.6639 4.2045 4.2045 4.8198 4.8198 4.8521 4.8521 6.8191 6.8191 6.8644 6.8644 7.9390 7.9390 8.0238 8.0238 8.1111 8.1111 8.3258 8.3258 8.4532 8.4532 9.1147 9.1147 9.7250 9.7250 10.2133 10.2133 11.0231 11.0231 13.5292 13.5292 14.3891 14.3891 14.5068 14.5068 k = 0.1062 0.0613 0.1735 ( 1550 PWs) bands (ev): -4.6865 -4.6865 4.2552 4.2552 4.8203 4.8203 4.8465 4.8465 6.8108 6.8108 6.8506 6.8506 7.9580 7.9580 8.0338 8.0338 8.1275 8.1275 8.3486 8.3486 8.4709 8.4709 9.1427 9.1427 9.7825 9.7825 10.2313 10.2313 10.9555 10.9555 13.5224 13.5224 14.3378 14.3378 14.4394 14.4394 k = 0.1000 0.0577 0.1633 ( 1550 PWs) bands (ev): -4.7082 -4.7082 4.3055 4.3055 4.8198 4.8198 4.8412 4.8412 6.8028 6.8028 6.8375 6.8375 7.9758 7.9758 8.0431 8.0431 8.1432 8.1432 8.3716 8.3716 8.4873 8.4873 9.1699 9.1699 9.8399 9.8399 10.2483 10.2483 10.8907 10.8907 13.5191 13.5191 14.2804 14.2804 14.3776 14.3776 k = 0.0938 0.0541 0.1531 ( 1546 PWs) bands (ev): -4.7288 -4.7288 4.3549 4.3549 4.8186 4.8186 4.8361 4.8361 6.7951 6.7951 6.8252 6.8252 7.9927 7.9927 8.0519 8.0519 8.1581 8.1581 8.3944 8.3944 8.5024 8.5024 9.1962 9.1962 9.8965 9.8965 10.2643 10.2643 10.8288 10.8288 13.5194 13.5194 14.2198 14.2198 14.3194 14.3194 k = 0.0875 0.0505 0.1429 ( 1546 PWs) bands (ev): -4.7484 -4.7484 4.4032 4.4032 4.8166 4.8166 4.8314 4.8314 6.7878 6.7878 6.8136 6.8136 8.0083 8.0083 8.0600 8.0600 8.1722 8.1722 8.4170 8.4170 8.5162 8.5162 9.2213 9.2213 9.9517 9.9517 10.2792 10.2792 10.7701 10.7701 13.5230 13.5230 14.1587 14.1587 14.2629 14.2629 k = 0.0813 0.0469 0.1327 ( 1544 PWs) bands (ev): -4.7668 -4.7668 4.4500 4.4500 4.8141 4.8141 4.8270 4.8270 6.7810 6.7810 6.8029 6.8029 8.0228 8.0228 8.0675 8.0675 8.1856 8.1856 8.4390 8.4390 8.5287 8.5287 9.2453 9.2453 10.0052 10.0052 10.2932 10.2932 10.7150 10.7150 13.5298 13.5298 14.0992 14.0992 14.2073 14.2073 k = 0.0750 0.0433 0.1225 ( 1548 PWs) bands (ev): -4.7840 -4.7840 4.4950 4.4950 4.8112 4.8112 4.8229 4.8229 6.7745 6.7745 6.7929 6.7929 8.0361 8.0361 8.0742 8.0742 8.1980 8.1980 8.4603 8.4603 8.5401 8.5401 9.2678 9.2678 10.0562 10.0562 10.3061 10.3061 10.6637 10.6637 13.5392 13.5392 14.0424 14.0424 14.1525 14.1525 k = 0.0688 0.0397 0.1123 ( 1548 PWs) bands (ev): -4.8000 -4.8000 4.5380 4.5380 4.8081 4.8081 4.8191 4.8191 6.7685 6.7685 6.7837 6.7837 8.0484 8.0484 8.0805 8.0805 8.2097 8.2097 8.4807 8.4807 8.5503 8.5503 9.2887 9.2887 10.1045 10.1045 10.3180 10.3180 10.6165 10.6165 13.5510 13.5510 13.9890 13.9890 14.0990 14.0990 k = 0.0625 0.0361 0.1021 ( 1532 PWs) bands (ev): -4.8148 -4.8148 4.5786 4.5786 4.8050 4.8050 4.8157 4.8157 6.7631 6.7631 6.7755 6.7755 8.0597 8.0597 8.0864 8.0864 8.2207 8.2207 8.5000 8.5000 8.5598 8.5598 9.3079 9.3079 10.1497 10.1497 10.3289 10.3289 10.5735 10.5735 13.5644 13.5644 13.9397 13.9397 14.0474 14.0474 k = 0.0563 0.0325 0.0919 ( 1532 PWs) bands (ev): -4.8282 -4.8282 4.6164 4.6164 4.8019 4.8019 4.8124 4.8124 6.7580 6.7580 6.7680 6.7680 8.0698 8.0698 8.0915 8.0915 8.2305 8.2305 8.5179 8.5179 8.5680 8.5680 9.3251 9.3251 10.1911 10.1911 10.3387 10.3387 10.5349 10.5349 13.5786 13.5786 13.8950 13.8950 13.9984 13.9984 k = 0.0500 0.0289 0.0816 ( 1532 PWs) bands (ev): -4.8403 -4.8403 4.6512 4.6512 4.7989 4.7989 4.8095 4.8095 6.7534 6.7534 6.7612 6.7612 8.0788 8.0788 8.0960 8.0960 8.2395 8.2395 8.5345 8.5345 8.5752 8.5752 9.3404 9.3404 10.2285 10.2285 10.3474 10.3474 10.5010 10.5010 13.5924 13.5924 13.8556 13.8556 13.9528 13.9528 k = 0.0437 0.0253 0.0714 ( 1530 PWs) bands (ev): -4.8511 -4.8511 4.6826 4.6826 4.7962 4.7962 4.8068 4.8068 6.7494 6.7494 6.7552 6.7552 8.0868 8.0868 8.1000 8.1000 8.2475 8.2475 8.5495 8.5495 8.5815 8.5815 9.3536 9.3536 10.2618 10.2618 10.3551 10.3551 10.4717 10.4717 13.6047 13.6047 13.8224 13.8224 13.9112 13.9112 k = 0.0375 0.0217 0.0612 ( 1527 PWs) bands (ev): -4.8605 -4.8605 4.7104 4.7104 4.7937 4.7937 4.8044 4.8044 6.7459 6.7459 6.7501 6.7501 8.0937 8.0937 8.1036 8.1036 8.2545 8.2545 8.5628 8.5628 8.5868 8.5868 9.3647 9.3647 10.2906 10.2906 10.3615 10.3615 10.4473 10.4473 13.6136 13.6136 13.7966 13.7966 13.8742 13.8742 k = 0.0312 0.0180 0.0510 ( 1519 PWs) bands (ev): -4.8684 -4.8684 4.7344 4.7344 4.7917 4.7917 4.8026 4.8026 6.7428 6.7428 6.7457 6.7457 8.0995 8.0995 8.1064 8.1064 8.2604 8.2604 8.5743 8.5743 8.5916 8.5916 9.3739 9.3739 10.3146 10.3146 10.3664 10.3664 10.4281 10.4281 13.6178 13.6178 13.7791 13.7791 13.8423 13.8423 k = 0.0250 0.0144 0.0408 ( 1515 PWs) bands (ev): -4.8750 -4.8750 4.7541 4.7541 4.7899 4.7899 4.8012 4.8012 6.7404 6.7404 6.7423 6.7423 8.1044 8.1044 8.1088 8.1088 8.2653 8.2653 8.5838 8.5838 8.5953 8.5953 9.3812 9.3812 10.3337 10.3337 10.3693 10.3693 10.4145 10.4145 13.6170 13.6170 13.7697 13.7697 13.8158 13.8158 k = 0.0187 0.0108 0.0306 ( 1509 PWs) bands (ev): -4.8801 -4.8801 4.7693 4.7693 4.7886 4.7886 4.8005 4.8005 6.7384 6.7384 6.7395 6.7395 8.1082 8.1082 8.1107 8.1107 8.2692 8.2692 8.5913 8.5913 8.5982 8.5982 9.3866 9.3866 10.3478 10.3478 10.3694 10.3694 10.4073 10.4073 13.6128 13.6128 13.7665 13.7665 13.7949 13.7949 k = 0.0125 0.0072 0.0204 ( 1487 PWs) bands (ev): -4.8837 -4.8837 4.7800 4.7800 4.7877 4.7877 4.8008 4.8008 6.7371 6.7371 6.7375 6.7375 8.1109 8.1109 8.1120 8.1120 8.2719 8.2719 8.5974 8.5974 8.6005 8.6005 9.3904 9.3904 10.3572 10.3572 10.3673 10.3673 10.4054 10.4054 13.6077 13.6077 13.7665 13.7665 13.7800 13.7800 k = 0.0063 0.0036 0.0102 ( 1471 PWs) bands (ev): -4.8859 -4.8859 4.7856 4.7856 4.7873 4.7873 4.8019 4.8019 6.7362 6.7362 6.7363 6.7363 8.1125 8.1125 8.1127 8.1127 8.2735 8.2735 8.6012 8.6012 8.6019 8.6019 9.3926 9.3926 10.3625 10.3625 10.3650 10.3650 10.4059 10.4059 13.6037 13.6037 13.7675 13.7675 13.7710 13.7710 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -4.8866 -4.8866 4.7871 4.7871 4.7871 4.7871 4.8024 4.8024 6.7359 6.7359 6.7359 6.7359 8.1130 8.1130 8.1130 8.1130 8.2741 8.2741 8.6023 8.6023 8.6023 8.6023 9.3933 9.3933 10.3641 10.3641 10.3641 10.3641 10.4062 10.4062 13.6023 13.6023 13.7680 13.7680 13.7680 13.7680 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -4.8866 -4.8866 4.7871 4.7871 4.7871 4.7871 4.8024 4.8024 6.7359 6.7359 6.7359 6.7359 8.1130 8.1130 8.1130 8.1130 8.2741 8.2741 8.6023 8.6023 8.6023 8.6023 9.3933 9.3933 10.3641 10.3641 10.3641 10.3641 10.4062 10.4062 13.6023 13.6023 13.7680 13.7680 13.7680 13.7680 k = 0.0102 0.0059 0.0042 ( 1471 PWs) bands (ev): -4.8859 -4.8859 4.7856 4.7856 4.7873 4.7873 4.8019 4.8019 6.7363 6.7363 6.7363 6.7363 8.1125 8.1125 8.1127 8.1127 8.2735 8.2735 8.6015 8.6015 8.6016 8.6016 9.3926 9.3926 10.3629 10.3629 10.3647 10.3647 10.4058 10.4058 13.6037 13.6037 13.7676 13.7676 13.7708 13.7708 k = 0.0204 0.0118 0.0083 ( 1498 PWs) bands (ev): -4.8837 -4.8837 4.7798 4.7798 4.7877 4.7877 4.8007 4.8007 6.7372 6.7372 6.7373 6.7373 8.1110 8.1110 8.1118 8.1118 8.2719 8.2719 8.5984 8.5984 8.5990 8.5990 9.3904 9.3904 10.3591 10.3591 10.3659 10.3659 10.4047 10.4047 13.6078 13.6078 13.7670 13.7670 13.7794 13.7794 k = 0.0306 0.0177 0.0125 ( 1510 PWs) bands (ev): -4.8801 -4.8801 4.7694 4.7694 4.7885 4.7885 4.8004 4.8004 6.7389 6.7389 6.7391 6.7391 8.1086 8.1086 8.1103 8.1103 8.2692 8.2692 8.5941 8.5941 8.5953 8.5953 9.3865 9.3865 10.3530 10.3530 10.3671 10.3671 10.4044 10.4044 13.6134 13.6134 13.7672 13.7672 13.7936 13.7936 k = 0.0408 0.0236 0.0167 ( 1516 PWs) bands (ev): -4.8750 -4.8750 4.7542 4.7542 4.7899 4.7899 4.8012 4.8012 6.7411 6.7411 6.7416 6.7416 8.1051 8.1051 8.1083 8.1083 8.2653 8.2653 8.5883 8.5883 8.5903 8.5903 9.3809 9.3809 10.3448 10.3448 10.3662 10.3662 10.4067 10.4067 13.6190 13.6190 13.7704 13.7704 13.8133 13.8133 k = 0.0510 0.0295 0.0208 ( 1522 PWs) bands (ev): -4.8684 -4.8684 4.7344 4.7344 4.7917 4.7917 4.8027 4.8027 6.7440 6.7440 6.7447 6.7447 8.1005 8.1005 8.1055 8.1055 8.2603 8.2603 8.5812 8.5812 8.5843 8.5843 9.3733 9.3733 10.3345 10.3345 10.3619 10.3619 10.4132 10.4132 13.6225 13.6225 13.7791 13.7791 13.8382 13.8382 k = 0.0612 0.0353 0.0250 ( 1525 PWs) bands (ev): -4.8605 -4.8605 4.7102 4.7102 4.7939 4.7939 4.8047 4.8047 6.7475 6.7475 6.7485 6.7485 8.0950 8.0950 8.1022 8.1022 8.2542 8.2542 8.5727 8.5727 8.5769 8.5769 9.3634 9.3634 10.3223 10.3223 10.3543 10.3543 10.4237 10.4237 13.6223 13.6223 13.7952 13.7952 13.8681 13.8681 k = 0.0714 0.0412 0.0292 ( 1525 PWs) bands (ev): -4.8511 -4.8511 4.6820 4.6820 4.7965 4.7965 4.8073 4.8073 6.7517 6.7517 6.7531 6.7531 8.0887 8.0887 8.0983 8.0983 8.2470 8.2470 8.5627 8.5627 8.5682 8.5682 9.3510 9.3510 10.3083 10.3083 10.3441 10.3441 10.4377 10.4377 13.6187 13.6187 13.8193 13.8193 13.9026 13.9026 k = 0.0816 0.0471 0.0333 ( 1528 PWs) bands (ev): -4.8404 -4.8404 4.6499 4.6499 4.7995 4.7995 4.8102 4.8102 6.7565 6.7565 6.7583 6.7583 8.0814 8.0814 8.0938 8.0938 8.2387 8.2387 8.5514 8.5514 8.5583 8.5583 9.3358 9.3358 10.2927 10.2927 10.3321 10.3321 10.4544 10.4544 13.6128 13.6128 13.8506 13.8506 13.9415 13.9415 k = 0.0918 0.0530 0.0375 ( 1534 PWs) bands (ev): -4.8283 -4.8283 4.6142 4.6142 4.8027 4.8027 4.8135 4.8135 6.7621 6.7621 6.7644 6.7644 8.0731 8.0731 8.0887 8.0887 8.2294 8.2294 8.5388 8.5388 8.5470 8.5470 9.3178 9.3178 10.2757 10.2757 10.3186 10.3186 10.4734 10.4734 13.6065 13.6065 13.8880 13.8880 13.9843 13.9843 k = 0.1020 0.0589 0.0417 ( 1534 PWs) bands (ev): -4.8149 -4.8149 4.5751 4.5751 4.8064 4.8064 4.8173 4.8173 6.7682 6.7682 6.7711 6.7711 8.0640 8.0640 8.0830 8.0830 8.2189 8.2189 8.5251 8.5251 8.5346 8.5346 9.2967 9.2967 10.2578 10.2578 10.3041 10.3041 10.4944 10.4944 13.6014 13.6014 13.9304 13.9304 14.0306 14.0306 k = 0.1122 0.0648 0.0458 ( 1534 PWs) bands (ev): -4.8002 -4.8002 4.5330 4.5330 4.8104 4.8104 4.8214 4.8214 6.7751 6.7751 6.7786 6.7786 8.0539 8.0539 8.0768 8.0768 8.2072 8.2072 8.5103 8.5103 8.5210 8.5210 9.2724 9.2724 10.2389 10.2389 10.2888 10.2888 10.5169 10.5169 13.5989 13.5989 13.9769 13.9769 14.0800 14.0800 k = 0.1224 0.0707 0.0500 ( 1534 PWs) bands (ev): -4.7843 -4.7843 4.4879 4.4879 4.8148 4.8148 4.8258 4.8258 6.7826 6.7826 6.7867 6.7867 8.0429 8.0429 8.0699 8.0699 8.1945 8.1945 8.4946 8.4946 8.5063 8.5063 9.2451 9.2451 10.2193 10.2193 10.2729 10.2729 10.5407 10.5407 13.6001 13.6001 14.0267 14.0267 14.1320 14.1320 k = 0.1327 0.0766 0.0542 ( 1534 PWs) bands (ev): -4.7671 -4.7671 4.4402 4.4402 4.8194 4.8194 4.8306 4.8306 6.7907 6.7907 6.7956 6.7956 8.0312 8.0312 8.0624 8.0624 8.1807 8.1807 8.4780 8.4780 8.4906 8.4906 9.2146 9.2146 10.1992 10.1992 10.2566 10.2566 10.5653 10.5653 13.6060 13.6060 14.0792 14.0792 14.1860 14.1860 k = 0.1429 0.0825 0.0583 ( 1537 PWs) bands (ev): -4.7488 -4.7488 4.3901 4.3901 4.8244 4.8244 4.8357 4.8357 6.7995 6.7995 6.8052 6.8052 8.0183 8.0183 8.0544 8.0544 8.1657 8.1657 8.4606 8.4606 8.4738 8.4738 9.1811 9.1811 10.1788 10.1788 10.2400 10.2400 10.5902 10.5902 13.6174 13.6174 14.1336 14.1336 14.2416 14.2416 k = 0.1531 0.0884 0.0625 ( 1537 PWs) bands (ev): -4.7294 -4.7294 4.3378 4.3378 4.8296 4.8296 4.8410 4.8410 6.8089 6.8089 6.8155 6.8155 8.0050 8.0050 8.0457 8.0457 8.1497 8.1497 8.4425 8.4425 8.4561 8.4561 9.1448 9.1448 10.1583 10.1583 10.2234 10.2234 10.6151 10.6151 13.6351 13.6351 14.1894 14.1894 14.2983 14.2983 k = 0.1633 0.0943 0.0667 ( 1537 PWs) bands (ev): -4.7090 -4.7090 4.2837 4.2837 4.8350 4.8350 4.8466 4.8466 6.8190 6.8190 6.8265 6.8265 7.9909 7.9909 8.0365 8.0365 8.1327 8.1327 8.4239 8.4239 8.4375 8.4375 9.1058 9.1058 10.1378 10.1378 10.2068 10.2068 10.6396 10.6396 13.6595 13.6595 14.2461 14.2461 14.3555 14.3555 k = 0.1735 0.1002 0.0708 ( 1537 PWs) bands (ev): -4.6875 -4.6875 4.2279 4.2279 4.8407 4.8407 4.8525 4.8525 6.8297 6.8297 6.8382 6.8382 7.9761 7.9761 8.0267 8.0267 8.1147 8.1147 8.4047 8.4047 8.4180 8.4180 9.0644 9.0644 10.1175 10.1175 10.1903 10.1903 10.6634 10.6634 13.6910 13.6910 14.3030 14.3030 14.4126 14.4126 k = 0.1837 0.1060 0.0750 ( 1543 PWs) bands (ev): -4.6652 -4.6652 4.1706 4.1706 4.8466 4.8466 4.8586 4.8586 6.8410 6.8410 6.8505 6.8505 7.9606 7.9606 8.0162 8.0162 8.0956 8.0956 8.3851 8.3851 8.3979 8.3979 9.0208 9.0208 10.0974 10.0974 10.1741 10.1741 10.6861 10.6861 13.7298 13.7298 14.3595 14.3595 14.4691 14.4691 k = 0.1939 0.1119 0.0792 ( 1543 PWs) bands (ev): -4.6419 -4.6419 4.1122 4.1122 4.8527 4.8527 4.8649 4.8649 6.8529 6.8529 6.8637 6.8637 7.9446 7.9446 8.0053 8.0053 8.0759 8.0759 8.3651 8.3651 8.3770 8.3770 8.9754 8.9754 10.0778 10.0778 10.1583 10.1583 10.7076 10.7076 13.7762 13.7762 14.4152 14.4152 14.5244 14.5244 k = 0.2041 0.1178 0.0833 ( 1540 PWs) bands (ev): -4.6179 -4.6179 4.0529 4.0529 4.8590 4.8590 4.8713 4.8713 6.8655 6.8655 6.8775 6.8775 7.9282 7.9282 7.9939 7.9939 8.0553 8.0553 8.3448 8.3448 8.3555 8.3555 8.9284 8.9284 10.0585 10.0585 10.1429 10.1429 10.7277 10.7277 13.8300 13.8300 14.4694 14.4694 14.5781 14.5781 k = 0.2143 0.1237 0.0875 ( 1540 PWs) bands (ev): -4.5932 -4.5932 3.9928 3.9928 4.8653 4.8653 4.8779 4.8779 6.8787 6.8787 6.8920 6.8920 7.9112 7.9112 7.9819 7.9819 8.0342 8.0342 8.3242 8.3242 8.3335 8.3335 8.8800 8.8800 10.0399 10.0399 10.1279 10.1279 10.7463 10.7463 13.8911 13.8911 14.5217 14.5217 14.6295 14.6295 k = 0.2245 0.1296 0.0916 ( 1540 PWs) bands (ev): -4.5678 -4.5678 3.9321 3.9321 4.8718 4.8718 4.8847 4.8847 6.8925 6.8925 6.9072 6.9072 7.8940 7.8940 7.9696 7.9696 8.0124 8.0124 8.3034 8.3034 8.3110 8.3110 8.8306 8.8306 10.0218 10.0218 10.1134 10.1134 10.7632 10.7632 13.9595 13.9595 14.5715 14.5715 14.6782 14.6782 k = 0.2347 0.1355 0.0958 ( 1546 PWs) bands (ev): -4.5420 -4.5420 3.8710 3.8710 4.8784 4.8784 4.8915 4.8915 6.9069 6.9069 6.9231 6.9231 7.8763 7.8763 7.9568 7.9568 7.9902 7.9902 8.2823 8.2823 8.2881 8.2881 8.7804 8.7804 10.0043 10.0043 10.0995 10.0995 10.7786 10.7786 14.0346 14.0346 14.6185 14.6185 14.7238 14.7238 k = 0.2449 0.1414 0.1000 ( 1546 PWs) bands (ev): -4.5156 -4.5156 3.8100 3.8100 4.8850 4.8850 4.8984 4.8984 6.9218 6.9218 6.9396 6.9396 7.8584 7.8584 7.9436 7.9436 7.9678 7.9678 8.2611 8.2611 8.2649 8.2649 8.7298 8.7298 9.9876 9.9876 10.0861 10.0861 10.7924 10.7924 14.1162 14.1162 14.6623 14.6623 14.7659 14.7659 k = 0.2551 0.1473 0.1041 ( 1546 PWs) bands (ev): -4.4889 -4.4889 3.7490 3.7490 4.8917 4.8917 4.9053 4.9053 6.9373 6.9373 6.9567 6.9567 7.8403 7.8403 7.9301 7.9301 7.9453 7.9453 8.2396 8.2396 8.2414 8.2414 8.6791 8.6791 9.9715 9.9715 10.0733 10.0733 10.8048 10.8048 14.2038 14.2038 14.7025 14.7025 14.8042 14.8042 k = 0.2653 0.1532 0.1083 ( 1549 PWs) bands (ev): -4.4620 -4.4620 3.6884 3.6884 4.8984 4.8984 4.9123 4.9123 6.9532 6.9532 6.9745 6.9745 7.8221 7.8221 7.9164 7.9164 7.9227 7.9227 8.2177 8.2177 8.2179 8.2179 8.6284 8.6284 9.9562 9.9562 10.0611 10.0611 10.8157 10.8157 14.2969 14.2969 14.7389 14.7389 14.8385 14.8385 k = 0.2755 0.1591 0.1125 ( 1555 PWs) bands (ev): -4.4349 -4.4349 3.6284 3.6284 4.9051 4.9051 4.9192 4.9192 6.9696 6.9696 6.9928 6.9928 7.8037 7.8037 7.9003 7.9003 7.9024 7.9024 8.1939 8.1939 8.1960 8.1960 8.5780 8.5780 9.9416 9.9416 10.0495 10.0495 10.8253 10.8253 14.3949 14.3949 14.7714 14.7714 14.8687 14.8687 k = 0.2857 0.1650 0.1166 ( 1552 PWs) bands (ev): -4.4078 -4.4078 3.5691 3.5691 4.9117 4.9117 4.9261 4.9261 6.9866 6.9866 7.0117 7.0117 7.7855 7.7855 7.8784 7.8784 7.8883 7.8883 8.1701 8.1701 8.1740 8.1740 8.5283 8.5283 9.9277 9.9277 10.0385 10.0385 10.8338 10.8338 14.4974 14.4974 14.7999 14.7999 14.8948 14.8948 k = 0.2959 0.1708 0.1208 ( 1552 PWs) bands (ev): -4.3808 -4.3808 3.5107 3.5107 4.9182 4.9182 4.9329 4.9329 7.0039 7.0039 7.0312 7.0312 7.7673 7.7673 7.8569 7.8569 7.8742 7.8742 8.1462 8.1462 8.1518 8.1518 8.4795 8.4795 9.9146 9.9146 10.0280 10.0280 10.8412 10.8412 14.6036 14.6036 14.8245 14.8245 14.9168 14.9168 k = 0.3061 0.1767 0.1250 ( 1552 PWs) bands (ev): -4.3540 -4.3540 3.4535 3.4535 4.9246 4.9246 4.9396 4.9396 7.0217 7.0217 7.0513 7.0513 7.7491 7.7491 7.8361 7.8361 7.8601 7.8601 8.1223 8.1223 8.1293 8.1293 8.4316 8.4316 9.9022 9.9022 10.0182 10.0182 10.8476 10.8476 14.7129 14.7129 14.8453 14.8453 14.9348 14.9348 k = 0.3163 0.1826 0.1291 ( 1552 PWs) bands (ev): -4.3275 -4.3275 3.3977 3.3977 4.9309 4.9309 4.9462 4.9462 7.0398 7.0398 7.0718 7.0718 7.7311 7.7311 7.8161 7.8161 7.8461 7.8461 8.0985 8.0985 8.1067 8.1067 8.3850 8.3850 9.8906 9.8906 10.0090 10.0090 10.8531 10.8531 14.8246 14.8246 14.8625 14.8625 14.9493 14.9493 k = 0.3265 0.1885 0.1333 ( 1540 PWs) bands (ev): -4.3014 -4.3014 3.3434 3.3434 4.9371 4.9371 4.9527 4.9527 7.0582 7.0582 7.0929 7.0929 7.7134 7.7134 7.7972 7.7972 7.8324 7.8324 8.0749 8.0749 8.0842 8.0842 8.3398 8.3398 9.8796 9.8796 10.0003 10.0003 10.8579 10.8579 14.8762 14.8762 14.9381 14.9381 14.9603 14.9603 k = 0.3367 0.1944 0.1375 ( 1540 PWs) bands (ev): -4.2759 -4.2759 3.2909 3.2909 4.9431 4.9431 4.9589 4.9589 7.0768 7.0768 7.1143 7.1143 7.6959 7.6959 7.7792 7.7792 7.8189 7.8189 8.0513 8.0513 8.0612 8.0612 8.2962 8.2962 9.8694 9.8694 9.9922 9.9922 10.8621 10.8621 14.8869 14.8869 14.9682 14.9682 15.0524 15.0524 k = 0.3469 0.2003 0.1416 ( 1549 PWs) bands (ev): -4.2511 -4.2511 3.2403 3.2403 4.9487 4.9487 4.9649 4.9649 7.0955 7.0955 7.1361 7.1361 7.6786 7.6786 7.7623 7.7623 7.8057 7.8057 8.0278 8.0278 8.0382 8.0382 8.2541 8.2541 9.8598 9.8598 9.9846 9.9846 10.8656 10.8656 14.8948 14.8948 14.9735 14.9735 15.1670 15.1670 k = 0.3571 0.2062 0.1458 ( 1555 PWs) bands (ev): -4.2272 -4.2272 3.1920 3.1920 4.9543 4.9543 4.9707 4.9707 7.1143 7.1143 7.1580 7.1580 7.6618 7.6618 7.7466 7.7466 7.7930 7.7930 8.0046 8.0046 8.0150 8.0150 8.2140 8.2140 9.8509 9.8509 9.9775 9.9775 10.8687 10.8687 14.9002 14.9002 14.9764 14.9764 15.2808 15.2808 k = 0.3673 0.2121 0.1500 ( 1555 PWs) bands (ev): -4.2041 -4.2041 3.1459 3.1459 4.9595 4.9595 4.9762 4.9762 7.1330 7.1330 7.1803 7.1803 7.6455 7.6455 7.7323 7.7323 7.7810 7.7810 7.9817 7.9817 7.9918 7.9918 8.1759 8.1759 9.8428 9.8428 9.9710 9.9710 10.8713 10.8713 14.9036 14.9036 14.9774 14.9774 15.3931 15.3931 k = 0.3776 0.2180 0.1541 ( 1561 PWs) bands (ev): -4.1822 -4.1822 3.1024 3.1024 4.9645 4.9645 4.9814 4.9814 7.1517 7.1517 7.2028 7.2028 7.6298 7.6298 7.7191 7.7191 7.7695 7.7695 7.9592 7.9592 7.9687 7.9687 8.1399 8.1399 9.8352 9.8352 9.9650 9.9650 10.8736 10.8736 14.9053 14.9053 14.9768 14.9768 15.5028 15.5028 k = 0.3878 0.2239 0.1583 ( 1561 PWs) bands (ev): -4.1615 -4.1615 3.0616 3.0616 4.9691 4.9691 4.9863 4.9863 7.1701 7.1701 7.2253 7.2253 7.6148 7.6148 7.7073 7.7073 7.7590 7.7590 7.9371 7.9371 7.9458 7.9458 8.1063 8.1063 9.8283 9.8283 9.9596 9.9596 10.8755 10.8755 14.9056 14.9056 14.9749 14.9749 15.6091 15.6091 k = 0.3980 0.2298 0.1625 ( 1549 PWs) bands (ev): -4.1421 -4.1421 3.0238 3.0238 4.9735 4.9735 4.9910 4.9910 7.1881 7.1881 7.2479 7.2479 7.6007 7.6007 7.6969 7.6969 7.7494 7.7494 7.9158 7.9158 7.9233 7.9233 8.0752 8.0752 9.8221 9.8221 9.9547 9.9547 10.8771 10.8771 14.9047 14.9047 14.9721 14.9721 15.7108 15.7108 k = 0.4082 0.2357 0.1666 ( 1550 PWs) bands (ev): -4.1241 -4.1241 2.9890 2.9890 4.9775 4.9775 4.9952 4.9952 7.2055 7.2055 7.2702 7.2702 7.5873 7.5873 7.6875 7.6875 7.7408 7.7408 7.8950 7.8950 7.9012 7.9012 8.0464 8.0464 9.8165 9.8165 9.9502 9.9502 10.8785 10.8785 14.9031 14.9031 14.9687 14.9687 15.8069 15.8069 k = 0.4184 0.2415 0.1708 ( 1550 PWs) bands (ev): -4.1078 -4.1078 2.9574 2.9574 4.9811 4.9811 4.9990 4.9990 7.2223 7.2223 7.2923 7.2923 7.5747 7.5747 7.6791 7.6791 7.7333 7.7333 7.8749 7.8749 7.8799 7.8799 8.0202 8.0202 9.8115 9.8115 9.9462 9.9462 10.8796 10.8796 14.9009 14.9009 14.9649 14.9649 15.8964 15.8964 k = 0.4286 0.2474 0.1750 ( 1550 PWs) bands (ev): -4.0930 -4.0930 2.9291 2.9291 4.9844 4.9844 5.0024 5.0024 7.2379 7.2379 7.3137 7.3137 7.5632 7.5632 7.6718 7.6718 7.7269 7.7269 7.8560 7.8560 7.8596 7.8596 7.9967 7.9967 9.8072 9.8072 9.9428 9.9428 10.8806 10.8806 14.8985 14.8985 14.9611 14.9611 15.9782 15.9782 k = 0.4388 0.2533 0.1791 ( 1544 PWs) bands (ev): -4.0800 -4.0800 2.9043 2.9043 4.9872 4.9872 5.0055 5.0055 7.2524 7.2524 7.3344 7.3344 7.5528 7.5528 7.6654 7.6654 7.7218 7.7218 7.8384 7.8384 7.8408 7.8408 7.9761 7.9761 9.8034 9.8034 9.9398 9.9398 10.8814 10.8814 14.8960 14.8960 14.9573 14.9573 16.0513 16.0513 k = 0.4490 0.2592 0.1833 ( 1544 PWs) bands (ev): -4.0689 -4.0689 2.8832 2.8832 4.9897 4.9897 5.0080 5.0080 7.2653 7.2653 7.3539 7.3539 7.5432 7.5432 7.6598 7.6598 7.7179 7.7179 7.8221 7.8221 7.8237 7.8237 7.9583 7.9583 9.8002 9.8002 9.9372 9.9372 10.8821 10.8821 14.8935 14.8935 14.9538 14.9538 16.1148 16.1148 k = 0.4592 0.2651 0.1875 ( 1544 PWs) bands (ev): -4.0597 -4.0597 2.8657 2.8657 4.9917 4.9917 5.0102 5.0102 7.2764 7.2764 7.3717 7.3717 7.5346 7.5346 7.6550 7.6550 7.7152 7.7152 7.8078 7.8078 7.8090 7.8090 7.9435 7.9435 9.7976 9.7976 9.9352 9.9352 10.8826 10.8826 14.8913 14.8913 14.9507 14.9507 16.1680 16.1680 k = 0.4694 0.2710 0.1916 ( 1544 PWs) bands (ev): -4.0524 -4.0524 2.8520 2.8520 4.9932 4.9932 5.0118 5.0118 7.2854 7.2854 7.3873 7.3873 7.5271 7.5271 7.6510 7.6510 7.7136 7.7136 7.7956 7.7956 7.7970 7.7970 7.9318 7.9318 9.7956 9.7956 9.9336 9.9336 10.8830 10.8830 14.8895 14.8895 14.9482 14.9482 16.2100 16.2100 k = 0.4796 0.2769 0.1958 ( 1544 PWs) bands (ev): -4.0472 -4.0472 2.8422 2.8422 4.9944 4.9944 5.0130 5.0130 7.2921 7.2921 7.3997 7.3997 7.5210 7.5210 7.6479 7.6479 7.7130 7.7130 7.7863 7.7863 7.7881 7.7881 7.9234 7.9234 9.7941 9.7941 9.9324 9.9324 10.8832 10.8832 14.8881 14.8881 14.9463 14.9463 16.2405 16.2405 k = 0.4898 0.2828 0.2000 ( 1544 PWs) bands (ev): -4.0441 -4.0441 2.8363 2.8363 4.9951 4.9951 5.0137 5.0137 7.2962 7.2962 7.4079 7.4079 7.5168 7.5168 7.6459 7.6459 7.7129 7.7129 7.7803 7.7803 7.7826 7.7826 7.9183 7.9183 9.7933 9.7933 9.9317 9.9317 10.8834 10.8834 14.8872 14.8872 14.9452 14.9452 16.2589 16.2589 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -4.0431 -4.0431 2.8344 2.8344 4.9953 4.9953 5.0140 5.0140 7.2977 7.2977 7.4109 7.4109 7.5154 7.5154 7.6452 7.6452 7.7130 7.7130 7.7783 7.7783 7.7809 7.7809 7.9166 7.9166 9.7930 9.7930 9.9315 9.9315 10.8835 10.8835 14.8869 14.8869 14.9448 14.9448 16.2651 16.2651 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -4.0431 -4.0431 2.8344 2.8344 4.9953 4.9953 5.0140 5.0140 7.2977 7.2977 7.4109 7.4109 7.5154 7.5154 7.6452 7.6452 7.7130 7.7130 7.7783 7.7783 7.7809 7.7809 7.9166 7.9166 9.7930 9.7930 9.9315 9.9315 10.8835 10.8835 14.8869 14.8869 14.9448 14.9448 16.2651 16.2651 k = 0.5036 0.2784 0.2100 ( 1543 PWs) bands (ev): -4.0427 -4.0427 2.8353 2.8353 4.9941 4.9941 5.0129 5.0129 7.2971 7.2971 7.4102 7.4102 7.5139 7.5139 7.6456 7.6456 7.7127 7.7127 7.7783 7.7783 7.7819 7.7819 7.9180 7.9180 9.7886 9.7886 9.9272 9.9272 10.8930 10.8930 14.8855 14.8855 14.9439 14.9439 16.2671 16.2671 k = 0.5071 0.2681 0.2158 ( 1549 PWs) bands (ev): -4.0415 -4.0415 2.8381 2.8381 4.9897 4.9897 5.0105 5.0105 7.2955 7.2955 7.4081 7.4081 7.5094 7.5094 7.6465 7.6465 7.7123 7.7123 7.7777 7.7777 7.7855 7.7855 7.9221 7.9221 9.7754 9.7754 9.9153 9.9153 10.9207 10.9207 14.8771 14.8771 14.9458 14.9458 16.2729 16.2729 k = 0.5107 0.2577 0.2216 ( 1549 PWs) bands (ev): -4.0395 -4.0395 2.8428 2.8428 4.9804 4.9804 5.0085 5.0085 7.2928 7.2928 7.4048 7.4048 7.5026 7.5026 7.6472 7.6472 7.7126 7.7126 7.7771 7.7771 7.7913 7.7913 7.9287 7.9287 9.7532 9.7532 9.8980 9.8980 10.9646 10.9646 14.8556 14.8556 14.9574 14.9574 16.2814 16.2814 k = 0.5143 0.2474 0.2275 ( 1549 PWs) bands (ev): -4.0367 -4.0367 2.8493 2.8493 4.9658 4.9658 5.0077 5.0077 7.2891 7.2891 7.4005 7.4005 7.4938 7.4938 7.6468 7.6468 7.7142 7.7142 7.7770 7.7770 7.7987 7.7987 7.9371 7.9371 9.7223 9.7223 9.8776 9.8776 11.0218 11.0218 14.8221 14.8221 14.9796 14.9796 16.2911 16.2911 k = 0.5179 0.2371 0.2333 ( 1549 PWs) bands (ev): -4.0332 -4.0332 2.8576 2.8576 4.9462 4.9462 5.0077 5.0077 7.2840 7.2840 7.3955 7.3955 7.4835 7.4835 7.6449 7.6449 7.7172 7.7172 7.7779 7.7779 7.8072 7.8072 7.9468 7.9468 9.6840 9.6840 9.8555 9.8555 11.0898 11.0898 14.7799 14.7799 15.0106 15.0106 16.3003 16.3003 k = 0.5214 0.2268 0.2391 ( 1544 PWs) bands (ev): -4.0289 -4.0289 2.8678 2.8678 4.9221 4.9221 5.0081 5.0081 7.2778 7.2778 7.3899 7.3899 7.4720 7.4720 7.6416 7.6416 7.7213 7.7213 7.7802 7.7802 7.8166 7.8166 7.9575 7.9575 9.6400 9.6400 9.8322 9.8322 11.1662 11.1662 14.7322 14.7322 15.0493 15.0493 16.3073 16.3073 k = 0.5250 0.2165 0.2449 ( 1546 PWs) bands (ev): -4.0239 -4.0239 2.8797 2.8797 4.8939 4.8939 5.0088 5.0088 7.2701 7.2701 7.3839 7.3839 7.4595 7.4595 7.6375 7.6375 7.7258 7.7258 7.7842 7.7842 7.8266 7.8266 7.9687 7.9687 9.5923 9.5923 9.8074 9.8074 11.2488 11.2488 14.6812 14.6812 15.0952 15.0952 16.3107 16.3107 k = 0.5286 0.2062 0.2508 ( 1546 PWs) bands (ev): -4.0182 -4.0182 2.8934 2.8934 4.8618 4.8618 5.0098 5.0098 7.2611 7.2611 7.3777 7.3777 7.4464 7.4464 7.6331 7.6331 7.7302 7.7302 7.7899 7.7899 7.8371 7.8371 7.9802 7.9802 9.5424 9.5424 9.7811 9.7811 11.3361 11.3361 14.6290 14.6290 15.1478 15.1478 16.3096 16.3096 k = 0.5321 0.1959 0.2566 ( 1550 PWs) bands (ev): -4.0119 -4.0119 2.9088 2.9088 4.8262 4.8262 5.0109 5.0109 7.2508 7.2508 7.3712 7.3712 7.4326 7.4326 7.6289 7.6289 7.7343 7.7343 7.7970 7.7970 7.8478 7.8478 7.9916 7.9916 9.4915 9.4915 9.7532 9.7532 11.4265 11.4265 14.5775 14.5775 15.2068 15.2068 16.3030 16.3030 k = 0.5357 0.1856 0.2624 ( 1550 PWs) bands (ev): -4.0048 -4.0048 2.9259 2.9259 4.7873 4.7873 5.0123 5.0123 7.2394 7.2394 7.3645 7.3645 7.4186 7.4186 7.6253 7.6253 7.7380 7.7380 7.8052 7.8052 7.8588 7.8588 8.0029 8.0029 9.4406 9.4406 9.7237 9.7237 11.5188 11.5188 14.5283 14.5283 15.2720 15.2720 16.2907 16.2907 k = 0.5393 0.1753 0.2683 ( 1553 PWs) bands (ev): -3.9972 -3.9972 2.9446 2.9446 4.7455 4.7455 5.0137 5.0137 7.2270 7.2270 7.3573 7.3573 7.4044 7.4044 7.6225 7.6225 7.7414 7.7414 7.8141 7.8141 7.8698 7.8698 8.0138 8.0138 9.3903 9.3903 9.6927 9.6927 11.6116 11.6116 14.4831 14.4831 15.3430 15.3430 16.2724 16.2724 k = 0.5429 0.1650 0.2741 ( 1553 PWs) bands (ev): -3.9890 -3.9890 2.9648 2.9648 4.7012 4.7012 5.0153 5.0153 7.2138 7.2138 7.3497 7.3497 7.3904 7.3904 7.6207 7.6207 7.7447 7.7447 7.8233 7.8233 7.8810 7.8810 8.0242 8.0242 9.3411 9.3411 9.6603 9.6603 11.7038 11.7038 14.4433 14.4433 15.4196 15.4196 16.2480 16.2480 k = 0.5464 0.1546 0.2799 ( 1555 PWs) bands (ev): -3.9803 -3.9803 2.9864 2.9864 4.6545 4.6545 5.0170 5.0170 7.1999 7.1999 7.3412 7.3412 7.3768 7.3768 7.6201 7.6201 7.7479 7.7479 7.8326 7.8326 7.8920 7.8920 8.0342 8.0342 9.2932 9.2932 9.6267 9.6267 11.7940 11.7940 14.4103 14.4103 15.5013 15.5013 16.2177 16.2177 k = 0.5500 0.1443 0.2858 ( 1563 PWs) bands (ev): -3.9711 -3.9711 3.0094 3.0094 4.6059 4.6059 5.0187 5.0187 7.1855 7.1855 7.3318 7.3318 7.3638 7.3638 7.6205 7.6205 7.7508 7.7508 7.8416 7.8416 7.9028 7.9028 8.0433 8.0433 9.2471 9.2471 9.5922 9.5922 11.8809 11.8809 14.3856 14.3856 15.5880 15.5880 16.1819 16.1819 k = 0.5536 0.1340 0.2916 ( 1563 PWs) bands (ev): -3.9614 -3.9614 3.0337 3.0337 4.5559 4.5559 5.0207 5.0207 7.1707 7.1707 7.3212 7.3212 7.3518 7.3518 7.6223 7.6223 7.7537 7.7537 7.8503 7.8503 7.9135 7.9135 8.0519 8.0519 9.2029 9.2029 9.5569 9.5569 11.9632 11.9632 14.3704 14.3704 15.6793 15.6793 16.1408 16.1408 k = 0.5571 0.1237 0.2974 ( 1561 PWs) bands (ev): -3.9514 -3.9514 3.0590 3.0590 4.5047 4.5047 5.0228 5.0228 7.1556 7.1556 7.3096 7.3096 7.3408 7.3408 7.6253 7.6253 7.7564 7.7564 7.8586 7.8586 7.9237 7.9237 8.0596 8.0596 9.1610 9.1610 9.5211 9.5211 12.0397 12.0397 14.3661 14.3661 15.7747 15.7747 16.0950 16.0950 k = 0.5607 0.1134 0.3033 ( 1561 PWs) bands (ev): -3.9411 -3.9411 3.0853 3.0853 4.4528 4.4528 5.0249 5.0249 7.1403 7.1403 7.2972 7.2972 7.3305 7.3305 7.6295 7.6295 7.7589 7.7589 7.8663 7.8663 7.9336 7.9336 8.0665 8.0665 9.1212 9.1212 9.4849 9.4849 12.1091 12.1091 14.3736 14.3736 15.8734 15.8734 16.0454 16.0454 k = 0.5643 0.1031 0.3091 ( 1561 PWs) bands (ev): -3.9306 -3.9306 3.1123 3.1123 4.4007 4.4007 5.0271 5.0271 7.1249 7.1249 7.2844 7.2844 7.3207 7.3207 7.6348 7.6348 7.7612 7.7612 7.8734 7.8734 7.9430 7.9430 8.0728 8.0728 9.0837 9.0837 9.4487 9.4487 12.1705 12.1705 14.3935 14.3935 15.9623 15.9623 16.0054 16.0054 k = 0.5679 0.0928 0.3149 ( 1559 PWs) bands (ev): -3.9198 -3.9198 3.1397 3.1397 4.3487 4.3487 5.0295 5.0295 7.1095 7.1095 7.2714 7.2714 7.3112 7.3112 7.6412 7.6412 7.7632 7.7632 7.8798 7.8798 7.9517 7.9517 8.0783 8.0783 9.0488 9.0488 9.4125 9.4125 12.2233 12.2233 14.4262 14.4262 15.9270 15.9270 16.0895 16.0895 k = 0.5714 0.0825 0.3208 ( 1559 PWs) bands (ev): -3.9089 -3.9089 3.1673 3.1673 4.2976 4.2976 5.0319 5.0319 7.0942 7.0942 7.2584 7.2584 7.3019 7.3019 7.6485 7.6485 7.7649 7.7649 7.8855 7.8855 7.9597 7.9597 8.0831 8.0831 9.0163 9.0163 9.3766 9.3766 12.2671 12.2671 14.4712 14.4712 15.8675 15.8675 16.1981 16.1981 k = 0.5750 0.0722 0.3266 ( 1563 PWs) bands (ev): -3.8980 -3.8980 3.1946 3.1946 4.2479 4.2479 5.0343 5.0343 7.0790 7.0790 7.2457 7.2457 7.2927 7.2927 7.6566 7.6566 7.7663 7.7663 7.8905 7.8905 7.9669 7.9669 8.0873 8.0873 8.9864 8.9864 9.3411 9.3411 12.3021 12.3021 14.5276 14.5276 15.8053 15.8053 16.3103 16.3103 k = 0.5786 0.0619 0.3324 ( 1563 PWs) bands (ev): -3.8871 -3.8871 3.2212 3.2212 4.2003 4.2003 5.0367 5.0367 7.0641 7.0641 7.2332 7.2332 7.2836 7.2836 7.6654 7.6654 7.7674 7.7674 7.8946 7.8946 7.9732 7.9732 8.0910 8.0910 8.9591 8.9591 9.3064 9.3064 12.3287 12.3287 14.5935 14.5935 15.7424 15.7424 16.4249 16.4249 k = 0.5821 0.0515 0.3383 ( 1566 PWs) bands (ev): -3.8763 -3.8763 3.2464 3.2464 4.1556 4.1556 5.0391 5.0391 7.0496 7.0496 7.2210 7.2210 7.2745 7.2745 7.6749 7.6749 7.7683 7.7683 7.8980 7.8980 7.9784 7.9784 8.0945 8.0945 8.9342 8.9342 9.2724 9.2724 12.3478 12.3478 14.6660 14.6660 15.6810 15.6810 16.5412 16.5412 k = 0.5857 0.0412 0.3441 ( 1566 PWs) bands (ev): -3.8657 -3.8657 3.2694 3.2694 4.1147 4.1147 5.0416 5.0416 7.0354 7.0354 7.2091 7.2091 7.2656 7.2656 7.6848 7.6848 7.7690 7.7690 7.9006 7.9006 7.9825 7.9825 8.0978 8.0978 8.9120 8.9120 9.2394 9.2394 12.3603 12.3603 14.7406 14.7406 15.6243 15.6243 16.6588 16.6588 k = 0.5893 0.0309 0.3499 ( 1562 PWs) bands (ev): -3.8553 -3.8553 3.2893 3.2893 4.0789 4.0789 5.0441 5.0441 7.0218 7.0218 7.1976 7.1976 7.2568 7.2568 7.6950 7.6950 7.7698 7.7698 7.9024 7.9024 7.9855 7.9855 8.1012 8.1012 8.8921 8.8921 9.2077 9.2077 12.3672 12.3672 14.8109 14.8109 15.5777 15.5777 16.7767 16.7767 k = 0.5929 0.0206 0.3558 ( 1562 PWs) bands (ev): -3.8453 -3.8453 3.3052 3.3052 4.0491 4.0491 5.0465 5.0465 7.0087 7.0087 7.1863 7.1863 7.2480 7.2480 7.7051 7.7051 7.7709 7.7709 7.9034 7.9034 7.9873 7.9873 8.1048 8.1048 8.8746 8.8746 9.1771 9.1771 12.3696 12.3696 14.8670 14.8670 15.5493 15.5493 16.8944 16.8944 k = 0.5964 0.0103 0.3616 ( 1563 PWs) bands (ev): -3.8357 -3.8357 3.3159 3.3159 4.0266 4.0266 5.0489 5.0489 6.9962 6.9962 7.1754 7.1754 7.2394 7.2394 7.7146 7.7146 7.7727 7.7727 7.9037 7.9037 7.9879 7.9879 8.1085 8.1085 8.8593 8.8593 9.1479 9.1479 12.3684 12.3684 14.8975 14.8975 15.5491 15.5491 17.0106 17.0106 k = 0.6000-0.0000 0.3674 ( 1563 PWs) bands (ev): -3.8266 -3.8266 3.3207 3.3207 4.0124 4.0124 5.0512 5.0512 6.9844 6.9844 7.1648 7.1648 7.2309 7.2309 7.7227 7.7227 7.7759 7.7759 7.9033 7.9033 7.9876 7.9876 8.1127 8.1127 8.8461 8.8461 9.1203 9.1203 12.3644 12.3644 14.8951 14.8951 15.5826 15.5826 17.1244 17.1244 k = 0.6036-0.0103 0.3733 ( 1565 PWs) bands (ev): -3.8181 -3.8181 3.3190 3.3190 4.0071 4.0071 5.0534 5.0534 6.9733 6.9733 7.1543 7.1543 7.2225 7.2225 7.7289 7.7289 7.7811 7.7811 7.9024 7.9024 7.9865 7.9865 8.1173 8.1173 8.8348 8.8348 9.0941 9.0941 12.3585 12.3585 14.8623 14.8623 15.6453 15.6453 17.2343 17.2343 k = 0.6071-0.0206 0.3791 ( 1563 PWs) bands (ev): -3.8103 -3.8103 3.3109 3.3109 4.0106 4.0106 5.0555 5.0555 6.9631 6.9631 7.1442 7.1442 7.2143 7.2143 7.7328 7.7328 7.7884 7.7884 7.9012 7.9012 7.9849 7.9849 8.1222 8.1222 8.8252 8.8252 9.0697 9.0697 12.3511 12.3511 14.8076 14.8076 15.7268 15.7268 17.3388 17.3388 k = 0.6107-0.0309 0.3849 ( 1563 PWs) bands (ev): -3.8033 -3.8033 3.2971 3.2971 4.0225 4.0225 5.0576 5.0576 6.9536 6.9536 7.1343 7.1343 7.2063 7.2063 7.7348 7.7348 7.7971 7.7971 7.9002 7.9002 7.9831 7.9831 8.1274 8.1274 8.8170 8.8170 9.0470 9.0470 12.3429 12.3429 14.7389 14.7389 15.8167 15.8167 17.4358 17.4358 k = 0.6143-0.0412 0.3908 ( 1565 PWs) bands (ev): -3.7971 -3.7971 3.2786 3.2786 4.0416 4.0416 5.0594 5.0594 6.9451 6.9451 7.1246 7.1246 7.1983 7.1983 7.7353 7.7353 7.8060 7.8060 7.8999 7.8999 7.9813 7.9813 8.1329 8.1329 8.8103 8.8103 9.0259 9.0259 12.3343 12.3343 14.6614 14.6614 15.9070 15.9070 17.5235 17.5235 k = 0.6179-0.0515 0.3966 ( 1566 PWs) bands (ev): -3.7918 -3.7918 3.2567 3.2567 4.0669 4.0669 5.0611 5.0611 6.9375 6.9375 7.1151 7.1151 7.1905 7.1905 7.7348 7.7348 7.8138 7.8138 7.9014 7.9014 7.9799 7.9799 8.1385 8.1385 8.8048 8.8048 9.0066 9.0066 12.3255 12.3255 14.5786 14.5786 15.9915 15.9915 17.5991 17.5991 k = 0.6214-0.0619 0.4024 ( 1568 PWs) bands (ev): -3.7875 -3.7875 3.2324 3.2324 4.0973 4.0973 5.0626 5.0626 6.9308 6.9308 7.1060 7.1060 7.1827 7.1827 7.7339 7.7339 7.8190 7.8190 7.9057 7.9057 7.9792 7.9792 8.1443 8.1443 8.8003 8.8003 8.9890 8.9890 12.3169 12.3169 14.4923 14.4923 16.0658 16.0658 17.6580 17.6580 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.6188-0.0686 0.4185 ( 1568 PWs) bands (ev): -3.7841 -3.7841 3.2081 3.2081 4.1305 4.1305 5.0632 5.0632 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7322 7.7322 7.8211 7.8211 7.9130 7.9130 7.9797 7.9797 8.1502 8.1502 8.7964 8.7964 8.9717 8.9717 12.3169 12.3169 14.4045 14.4045 16.1211 16.1211 17.5580 17.5580 k = 0.6125-0.0650 0.4287 ( 1565 PWs) bands (ev): -3.7837 -3.7837 3.2117 3.2117 4.1271 4.1271 5.0609 5.0609 6.9252 6.9252 7.0972 7.0972 7.1754 7.1754 7.7312 7.7312 7.8220 7.8220 7.9109 7.9109 7.9803 7.9803 8.1497 8.1497 8.7959 8.7959 8.9674 8.9674 12.3413 12.3413 14.4060 14.4060 16.1051 16.1051 17.4012 17.4012 k = 0.6062-0.0613 0.4389 ( 1569 PWs) bands (ev): -3.7831 -3.7831 3.2176 3.2176 4.1215 4.1215 5.0572 5.0572 6.9253 6.9253 7.0971 7.0971 7.1756 7.1756 7.7296 7.7296 7.8232 7.8232 7.9075 7.9075 7.9810 7.9810 8.1490 8.1490 8.7950 8.7950 8.9605 8.9605 12.3815 12.3815 14.4085 14.4085 16.0789 16.0789 17.2452 17.2452 k = 0.6000-0.0577 0.4491 ( 1566 PWs) bands (ev): -3.7821 -3.7821 3.2258 3.2258 4.1135 4.1135 5.0523 5.0523 6.9254 6.9254 7.0971 7.0971 7.1759 7.1759 7.7277 7.7277 7.8245 7.8245 7.9035 7.9035 7.9817 7.9817 8.1481 8.1481 8.7938 8.7938 8.9514 8.9514 12.4371 12.4371 14.4120 14.4120 16.0428 16.0428 17.0906 17.0906 k = 0.5938-0.0541 0.4593 ( 1564 PWs) bands (ev): -3.7810 -3.7810 3.2364 3.2364 4.1032 4.1032 5.0462 5.0462 6.9255 6.9255 7.0970 7.0970 7.1763 7.1763 7.7255 7.7255 7.8255 7.8255 7.8994 7.8994 7.9822 7.9822 8.1468 8.1468 8.7922 8.7922 8.9408 8.9408 12.5073 12.5073 14.4165 14.4165 15.9975 15.9975 16.9373 16.9373 k = 0.5875-0.0505 0.4695 ( 1564 PWs) bands (ev): -3.7796 -3.7796 3.2494 3.2494 4.0903 4.0903 5.0392 5.0392 6.9256 6.9256 7.0970 7.0970 7.1767 7.1767 7.7231 7.7231 7.8255 7.8255 7.8956 7.8956 7.9824 7.9824 8.1452 8.1452 8.7902 8.7902 8.9290 8.9290 12.5912 12.5912 14.4219 14.4219 15.9439 15.9439 16.7858 16.7858 k = 0.5813-0.0469 0.4797 ( 1568 PWs) bands (ev): -3.7780 -3.7780 3.2646 3.2646 4.0750 4.0750 5.0315 5.0315 6.9255 6.9255 7.0970 7.0970 7.1773 7.1773 7.7208 7.7208 7.8240 7.8240 7.8929 7.8929 7.9822 7.9822 8.1434 8.1434 8.7878 8.7878 8.9166 8.9166 12.6880 12.6880 14.4282 14.4282 15.8828 15.8828 16.6362 16.6362 k = 0.5750-0.0433 0.4899 ( 1568 PWs) bands (ev): -3.7763 -3.7763 3.2821 3.2821 4.0569 4.0569 5.0234 5.0234 6.9255 6.9255 7.0972 7.0972 7.1779 7.1779 7.7186 7.7186 7.8208 7.8208 7.8918 7.8918 7.9815 7.9815 8.1413 8.1413 8.7851 8.7851 8.9044 8.9044 12.7967 12.7967 14.4355 14.4355 15.8149 15.8149 16.4886 16.4887 k = 0.5687-0.0397 0.5001 ( 1572 PWs) bands (ev): -3.7744 -3.7744 3.3019 3.3019 4.0363 4.0363 5.0151 5.0151 6.9253 6.9253 7.0973 7.0973 7.1784 7.1784 7.7166 7.7166 7.8156 7.8156 7.8922 7.8922 7.9803 7.9803 8.1389 8.1389 8.7820 8.7820 8.8927 8.8927 12.9163 12.9163 14.4436 14.4436 15.7412 15.7412 16.3434 16.3434 k = 0.5625-0.0361 0.5103 ( 1571 PWs) bands (ev): -3.7724 -3.7724 3.3238 3.3238 4.0129 4.0129 5.0069 5.0069 6.9251 6.9251 7.0977 7.0977 7.1790 7.1790 7.7150 7.7150 7.8091 7.8091 7.8941 7.8941 7.9787 7.9787 8.1364 8.1364 8.7787 8.7787 8.8819 8.8819 13.0459 13.0459 14.4525 14.4525 15.6624 15.6624 16.2008 16.2008 k = 0.5563-0.0325 0.5205 ( 1574 PWs) bands (ev): -3.7704 -3.7704 3.3480 3.3480 3.9868 3.9868 4.9990 4.9990 6.9248 6.9248 7.0981 7.0981 7.1797 7.1797 7.7137 7.7137 7.8015 7.8015 7.8970 7.8970 7.9766 7.9766 8.1336 8.1336 8.7752 8.7752 8.8722 8.8722 13.1845 13.1845 14.4621 14.4621 15.5793 15.5793 16.0610 16.0610 k = 0.5500-0.0289 0.5307 ( 1579 PWs) bands (ev): -3.7683 -3.7683 3.3743 3.3743 3.9581 3.9581 4.9916 4.9916 6.9243 6.9243 7.0986 7.0986 7.1803 7.1803 7.7128 7.7128 7.7934 7.7934 7.9005 7.9005 7.9741 7.9741 8.1307 8.1307 8.7716 8.7716 8.8637 8.8637 13.3312 13.3312 14.4724 14.4724 15.4925 15.4925 15.9243 15.9243 k = 0.5437-0.0253 0.5409 ( 1576 PWs) bands (ev): -3.7663 -3.7663 3.4028 3.4028 3.9269 3.9269 4.9849 4.9849 6.9239 6.9239 7.0992 7.0992 7.1810 7.1810 7.7126 7.7126 7.7850 7.7850 7.9044 7.9044 7.9713 7.9713 8.1279 8.1279 8.7681 8.7681 8.8566 8.8566 13.4847 13.4847 14.4833 14.4833 15.4028 15.4028 15.7914 15.7914 k = 0.5375-0.0217 0.5511 ( 1570 PWs) bands (ev): -3.7644 -3.7644 3.4333 3.4333 3.8934 3.8934 4.9790 4.9790 6.9235 6.9235 7.0998 7.0998 7.1817 7.1817 7.7130 7.7130 7.7768 7.7768 7.9085 7.9085 7.9684 7.9684 8.1251 8.1251 8.7650 8.7650 8.8507 8.8507 13.6441 13.6441 14.4947 14.4947 15.3108 15.3108 15.6626 15.6626 k = 0.5312-0.0180 0.5613 ( 1572 PWs) bands (ev): -3.7626 -3.7626 3.4658 3.4658 3.8576 3.8576 4.9739 4.9739 6.9229 6.9229 7.1004 7.1004 7.1824 7.1824 7.7139 7.7139 7.7687 7.7687 7.9124 7.9124 7.9652 7.9652 8.1224 8.1224 8.7622 8.7622 8.8458 8.8458 13.8076 13.8076 14.5068 14.5068 15.2169 15.2169 15.5390 15.5390 k = 0.5250-0.0144 0.5715 ( 1570 PWs) bands (ev): -3.7610 -3.7610 3.5002 3.5002 3.8201 3.8201 4.9699 4.9699 6.9224 6.9224 7.1010 7.1010 7.1830 7.1830 7.7155 7.7155 7.7613 7.7613 7.9161 7.9161 7.9620 7.9620 8.1200 8.1200 8.7598 8.7598 8.8421 8.8421 13.9727 13.9727 14.5202 14.5202 15.1217 15.1217 15.4219 15.4219 k = 0.5188-0.0108 0.5818 ( 1570 PWs) bands (ev): -3.7596 -3.7596 3.5365 3.5365 3.7809 3.7809 4.9668 4.9668 6.9220 6.9220 7.1015 7.1015 7.1836 7.1836 7.7177 7.7177 7.7545 7.7545 7.9193 7.9193 7.9589 7.9589 8.1178 8.1178 8.7581 8.7581 8.8393 8.8393 14.1339 14.1339 14.5372 14.5372 15.0256 15.0256 15.3137 15.3137 k = 0.5125-0.0072 0.5920 ( 1564 PWs) bands (ev): -3.7586 -3.7586 3.5745 3.5745 3.7405 3.7405 4.9646 4.9646 6.9216 6.9216 7.1020 7.1020 7.1841 7.1841 7.7203 7.7203 7.7488 7.7488 7.9220 7.9220 7.9563 7.9563 8.1162 8.1162 8.7569 8.7569 8.8373 8.8373 14.2774 14.2774 14.5671 14.5671 14.9292 14.9292 15.2184 15.2184 k = 0.5062-0.0036 0.6022 ( 1564 PWs) bands (ev): -3.7579 -3.7579 3.6140 3.6140 3.6993 3.6993 4.9634 4.9634 6.9214 6.9214 7.1022 7.1022 7.1844 7.1844 7.7228 7.7228 7.7443 7.7443 7.9238 7.9238 7.9544 7.9544 8.1152 8.1152 8.7561 8.7561 8.8362 8.8362 14.3711 14.3711 14.6322 14.6322 14.8333 14.8333 15.1447 15.1447 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.6482 3.6482 3.6645 3.6645 4.9630 4.9630 6.9213 6.9213 7.1023 7.1023 7.1845 7.1845 7.7240 7.7240 7.7425 7.7425 7.9245 7.9245 7.9536 7.9536 8.1148 8.1148 8.7559 8.7559 8.8358 8.8358 14.3974 14.3974 14.7123 14.7123 14.7560 14.7560 15.1121 15.1121 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -3.7577 -3.7577 3.6482 3.6482 3.6645 3.6645 4.9630 4.9630 6.9213 6.9213 7.1023 7.1023 7.1845 7.1845 7.7240 7.7240 7.7425 7.7425 7.9245 7.9245 7.9536 7.9536 8.1148 8.1148 8.7559 8.7559 8.8358 8.8358 14.3974 14.3974 14.7123 14.7123 14.7560 14.7560 15.1121 15.1121 k = 0.5000 0.0072 0.6022 ( 1564 PWs) bands (ev): -3.7581 -3.7581 3.6480 3.6480 3.6648 3.6648 4.9634 4.9634 6.9218 6.9218 7.1028 7.1028 7.1849 7.1849 7.7242 7.7242 7.7423 7.7423 7.9241 7.9241 7.9543 7.9543 8.1147 8.1147 8.7565 8.7565 8.8367 8.8367 14.3905 14.3905 14.6889 14.6889 14.7511 14.7511 15.1504 15.1504 k = 0.5000 0.0144 0.5920 ( 1564 PWs) bands (ev): -3.7596 -3.7596 3.6454 3.6454 3.6674 3.6674 4.9646 4.9646 6.9232 6.9232 7.1043 7.1043 7.1861 7.1861 7.7246 7.7246 7.7422 7.7422 7.9230 7.9230 7.9562 7.9562 8.1143 8.1143 8.7583 8.7583 8.8395 8.8395 14.3718 14.3718 14.6092 14.6092 14.7705 14.7705 15.2388 15.2388 k = 0.5000 0.0217 0.5818 ( 1572 PWs) bands (ev): -3.7620 -3.7620 3.6382 3.6382 3.6750 3.6750 4.9666 4.9666 6.9256 6.9256 7.1067 7.1067 7.1880 7.1880 7.7240 7.7240 7.7432 7.7432 7.9212 7.9212 7.9591 7.9591 8.1135 8.1135 8.7612 8.7612 8.8440 8.8440 14.3452 14.3452 14.5067 14.5067 14.8064 14.8064 15.3474 15.3474 k = 0.5000 0.0289 0.5715 ( 1574 PWs) bands (ev): -3.7653 -3.7653 3.6266 3.6266 3.6871 3.6871 4.9692 4.9692 6.9289 6.9289 7.1102 7.1102 7.1907 7.1907 7.7216 7.7216 7.7463 7.7463 7.9190 7.9190 7.9628 7.9628 8.1126 8.1126 8.7653 8.7653 8.8507 8.8507 14.3133 14.3133 14.3979 14.3979 14.8515 14.8515 15.4644 15.4644 k = 0.5000 0.0361 0.5613 ( 1572 PWs) bands (ev): -3.7694 -3.7694 3.6114 3.6114 3.7032 3.7032 4.9725 4.9725 6.9332 6.9332 7.1145 7.1145 7.1942 7.1942 7.7172 7.7172 7.7516 7.7516 7.9165 7.9165 7.9670 7.9670 8.1115 8.1115 8.7707 8.7707 8.8594 8.8594 14.2637 14.2637 14.3023 14.3023 14.9026 14.9026 15.5852 15.5852 k = 0.5000 0.0433 0.5511 ( 1572 PWs) bands (ev): -3.7745 -3.7745 3.5932 3.5932 3.7229 3.7229 4.9761 4.9761 6.9385 6.9385 7.1197 7.1197 7.1984 7.1984 7.7114 7.7114 7.7585 7.7585 7.9136 7.9136 7.9714 7.9714 8.1101 8.1101 8.7773 8.7773 8.8704 8.8704 14.1605 14.1605 14.2596 14.2596 14.9580 14.9580 15.7076 15.7076 k = 0.5000 0.0505 0.5409 ( 1572 PWs) bands (ev): -3.7804 -3.7804 3.5721 3.5721 3.7462 3.7462 4.9801 4.9801 6.9446 6.9446 7.1256 7.1256 7.2034 7.2034 7.7047 7.7047 7.7664 7.7664 7.9104 7.9104 7.9759 7.9759 8.1087 8.1087 8.7852 8.7852 8.8837 8.8837 14.0470 14.0470 14.2282 14.2282 15.0166 15.0166 15.8301 15.8301 k = 0.5000 0.0577 0.5307 ( 1574 PWs) bands (ev): -3.7871 -3.7871 3.5486 3.5486 3.7728 3.7728 4.9842 4.9842 6.9516 6.9516 7.1323 7.1323 7.2090 7.2090 7.6972 7.6972 7.7750 7.7750 7.9068 7.9068 7.9801 7.9801 8.1071 8.1071 8.7944 8.7944 8.8995 8.8995 13.9326 13.9326 14.1997 14.1997 15.0778 15.0778 15.9513 15.9513 k = 0.5000 0.0650 0.5205 ( 1572 PWs) bands (ev): -3.7945 -3.7945 3.5230 3.5230 3.8026 3.8026 4.9884 4.9884 6.9595 6.9595 7.1396 7.1396 7.2154 7.2154 7.6893 7.6893 7.7839 7.7839 7.9029 7.9029 7.9840 7.9840 8.1054 8.1054 8.8049 8.8049 8.9180 8.9180 13.8183 13.8183 14.1740 14.1740 15.1409 15.1409 16.0698 16.0698 k = 0.5000 0.0722 0.5103 ( 1564 PWs) bands (ev): -3.8025 -3.8025 3.4956 3.4956 3.8355 3.8355 4.9925 4.9925 6.9683 6.9683 7.1475 7.1475 7.2223 7.2223 7.6812 7.6812 7.7929 7.7929 7.8988 7.8988 7.9874 7.9874 8.1038 8.1038 8.8169 8.8169 8.9393 8.9393 13.7045 13.7045 14.1511 14.1511 15.2056 15.2056 16.1835 16.1835 k = 0.5000 0.0794 0.5001 ( 1570 PWs) bands (ev): -3.8112 -3.8112 3.4667 3.4667 3.8713 3.8713 4.9965 4.9965 6.9778 6.9778 7.1560 7.1560 7.2298 7.2298 7.6728 7.6728 7.8015 7.8015 7.8943 7.8943 7.9898 7.9898 8.1020 8.1020 8.8301 8.8301 8.9633 8.9633 13.5912 13.5912 14.1312 14.1312 15.2715 15.2715 16.2900 16.2900 k = 0.5000 0.0866 0.4899 ( 1566 PWs) bands (ev): -3.8205 -3.8205 3.4366 3.4366 3.9098 3.9098 5.0002 5.0002 6.9883 6.9883 7.1649 7.1649 7.2378 7.2378 7.6644 7.6644 7.8097 7.8097 7.8895 7.8895 7.9914 7.9914 8.1004 8.1004 8.8451 8.8451 8.9903 8.9903 13.4785 13.4785 14.1146 14.1146 15.3382 15.3382 16.3855 16.3855 k = 0.5000 0.0938 0.4797 ( 1566 PWs) bands (ev): -3.8302 -3.8302 3.4055 3.4055 3.9508 3.9508 5.0036 5.0036 6.9993 6.9993 7.1744 7.1744 7.2462 7.2462 7.6560 7.6560 7.8169 7.8169 7.8844 7.8844 7.9919 7.9919 8.0987 8.0987 8.8615 8.8615 9.0200 9.0200 13.3664 13.3664 14.1015 14.1015 15.4056 15.4056 16.4652 16.4652 k = 0.5000 0.1010 0.4695 ( 1562 PWs) bands (ev): -3.8404 -3.8404 3.3738 3.3738 3.9941 3.9941 5.0067 5.0067 7.0110 7.0110 7.1843 7.1843 7.2552 7.2552 7.6480 7.6480 7.8233 7.8233 7.8791 7.8791 7.9913 7.9913 8.0971 8.0971 8.8796 8.8796 9.0524 9.0524 13.2548 13.2548 14.0920 14.0920 15.4732 15.4732 16.5230 16.5230 k = 0.5000 0.1083 0.4593 ( 1560 PWs) bands (ev): -3.8509 -3.8509 3.3416 3.3416 4.0396 4.0396 5.0094 5.0094 7.0234 7.0234 7.1945 7.1945 7.2644 7.2644 7.6400 7.6400 7.8284 7.8284 7.8736 7.8736 7.9896 7.9896 8.0955 8.0955 8.8996 8.8996 9.0875 9.0875 13.1438 13.1438 14.0863 14.0863 15.5407 15.5407 16.5528 16.5528 k = 0.5000 0.1155 0.4491 ( 1556 PWs) bands (ev): -3.8616 -3.8616 3.3092 3.3092 4.0869 4.0869 5.0116 5.0116 7.0364 7.0364 7.2052 7.2052 7.2740 7.2740 7.6325 7.6325 7.8322 7.8322 7.8678 7.8678 7.9867 7.9867 8.0937 8.0937 8.9213 8.9213 9.1250 9.1250 13.0332 13.0332 14.0845 14.0845 15.6079 15.6079 16.5505 16.5505 k = 0.5000 0.1227 0.4389 ( 1556 PWs) bands (ev): -3.8727 -3.8727 3.2768 3.2768 4.1358 4.1358 5.0135 5.0135 7.0499 7.0499 7.2162 7.2162 7.2839 7.2839 7.6254 7.6254 7.8346 7.8346 7.8619 7.8619 7.9826 7.9826 8.0916 8.0916 8.9450 8.9450 9.1646 9.1646 12.9231 12.9231 14.0869 14.0869 15.6744 15.6744 16.5161 16.5161 k = 0.5000 0.1299 0.4287 ( 1552 PWs) bands (ev): -3.8838 -3.8838 3.2446 3.2446 4.1861 4.1861 5.0150 5.0150 7.0639 7.0639 7.2276 7.2276 7.2939 7.2939 7.6188 7.6188 7.8357 7.8357 7.8558 7.8558 7.9776 7.9776 8.0891 8.0891 8.9706 8.9706 9.2061 9.2061 12.8134 12.8134 14.0935 14.0935 15.7397 15.7397 16.4543 16.4543 k = 0.5000 0.1371 0.4185 ( 1558 PWs) bands (ev): -3.8950 -3.8950 3.2128 3.2128 4.2374 4.2374 5.0160 5.0160 7.0782 7.0782 7.2392 7.2392 7.3041 7.3041 7.6127 7.6127 7.8354 7.8354 7.8496 7.8496 7.9714 7.9714 8.0860 8.0860 8.9983 8.9983 9.2489 9.2489 12.7040 12.7040 14.1044 14.1044 15.8036 15.8036 16.3718 16.3718 k = 0.5000 0.1443 0.4082 ( 1556 PWs) bands (ev): -3.9062 -3.9062 3.1816 3.1816 4.2895 4.2895 5.0167 5.0167 7.0929 7.0929 7.2511 7.2511 7.3144 7.3144 7.6076 7.6076 7.8337 7.8337 7.8433 7.8433 7.9645 7.9645 8.0824 8.0824 9.0280 9.0280 9.2930 9.2930 12.5950 12.5950 14.1198 14.1198 15.8654 15.8654 16.2756 16.2756 k = 0.5000 0.1516 0.3980 ( 1556 PWs) bands (ev): -3.9173 -3.9173 3.1511 3.1511 4.3422 4.3422 5.0171 5.0171 7.1079 7.1079 7.2631 7.2631 7.3248 7.3248 7.6032 7.6032 7.8308 7.8308 7.8369 7.8369 7.9567 7.9567 8.0780 8.0780 9.0599 9.0599 9.3377 9.3377 12.4863 12.4863 14.1396 14.1396 15.9245 15.9245 16.1717 16.1717 k = 0.5000 0.1588 0.3878 ( 1560 PWs) bands (ev): -3.9283 -3.9283 3.1214 3.1214 4.3950 4.3950 5.0172 5.0172 7.1229 7.1229 7.2752 7.2752 7.3352 7.3352 7.5998 7.5998 7.8266 7.8266 7.8305 7.8305 7.9481 7.9481 8.0728 8.0728 9.0939 9.0939 9.3828 9.3828 12.3780 12.3780 14.1639 14.1639 15.9779 15.9779 16.0670 16.0670 k = 0.5000 0.1660 0.3776 ( 1556 PWs) bands (ev): -3.9391 -3.9391 3.0927 3.0927 4.4477 4.4477 5.0170 5.0170 7.1382 7.1382 7.2874 7.2874 7.3456 7.3456 7.5974 7.5974 7.8215 7.8215 7.8242 7.8242 7.9389 7.9389 8.0669 8.0669 9.1301 9.1301 9.4279 9.4279 12.2700 12.2700 14.1928 14.1928 15.9466 15.9466 16.0431 16.0431 k = 0.5000 0.1732 0.3674 ( 1558 PWs) bands (ev): -3.9496 -3.9496 3.0651 3.0651 4.4999 4.4999 5.0165 5.0165 7.1534 7.1534 7.2995 7.2995 7.3560 7.3560 7.5961 7.5961 7.8153 7.8153 7.8180 7.8180 7.9292 7.9292 8.0602 8.0602 9.1685 9.1685 9.4724 9.4724 12.1626 12.1626 14.2260 14.2260 15.8420 15.8420 16.0901 16.0901 k = 0.5000 0.1804 0.3572 ( 1550 PWs) bands (ev): -3.9598 -3.9598 3.0387 3.0387 4.5513 4.5513 5.0159 5.0159 7.1686 7.1686 7.3113 7.3113 7.3666 7.3666 7.5961 7.5961 7.8083 7.8083 7.8120 7.8120 7.9190 7.9190 8.0527 8.0527 9.2090 9.2090 9.5162 9.5162 12.0557 12.0557 14.2636 14.2636 15.7378 15.7378 16.1357 16.1357 k = 0.5000 0.1876 0.3470 ( 1550 PWs) bands (ev): -3.9696 -3.9696 3.0136 3.0136 4.6016 4.6016 5.0152 5.0152 7.1835 7.1835 7.3227 7.3227 7.3772 7.3772 7.5972 7.5972 7.8003 7.8003 7.8063 7.8063 7.9083 7.9083 8.0443 8.0443 9.2515 9.2515 9.5588 9.5588 11.9497 11.9497 14.3052 14.3052 15.6374 15.6374 16.1770 16.1770 k = 0.5000 0.1949 0.3368 ( 1550 PWs) bands (ev): -3.9790 -3.9790 2.9899 2.9899 4.6503 4.6503 5.0143 5.0143 7.1981 7.1981 7.3334 7.3334 7.3881 7.3881 7.5997 7.5997 7.7916 7.7916 7.8009 7.8009 7.8973 7.8973 8.0352 8.0352 9.2961 9.2961 9.5999 9.5999 11.8446 11.8446 14.3507 14.3507 15.5419 15.5419 16.2134 16.2134 k = 0.5000 0.2021 0.3266 ( 1552 PWs) bands (ev): -3.9879 -3.9879 2.9677 2.9677 4.6972 4.6972 5.0133 5.0133 7.2122 7.2122 7.3435 7.3435 7.3993 7.3993 7.6032 7.6032 7.7823 7.7823 7.7957 7.7957 7.8860 7.8860 8.0253 8.0253 9.3425 9.3425 9.6392 9.6392 11.7407 11.7407 14.3997 14.3997 15.4520 15.4520 16.2444 16.2444 k = 0.5000 0.2093 0.3164 ( 1554 PWs) bands (ev): -3.9963 -3.9963 2.9470 2.9470 4.7419 4.7419 5.0123 5.0123 7.2256 7.2256 7.3527 7.3527 7.4109 7.4109 7.6079 7.6079 7.7726 7.7726 7.7910 7.7910 7.8745 7.8745 8.0149 8.0149 9.3904 9.3904 9.6766 9.6766 11.6385 11.6385 14.4516 14.4516 15.3683 15.3683 16.2696 16.2696 k = 0.5000 0.2165 0.3062 ( 1550 PWs) bands (ev): -4.0041 -4.0041 2.9279 2.9279 4.7841 4.7841 5.0113 5.0113 7.2382 7.2382 7.3612 7.3612 7.4229 7.4229 7.6137 7.6137 7.7627 7.7627 7.7869 7.7869 7.8629 7.8629 8.0039 8.0039 9.4397 9.4397 9.7118 9.7118 11.5384 11.5384 14.5058 14.5058 15.2912 15.2912 16.2888 16.2888 k = 0.5000 0.2237 0.2960 ( 1548 PWs) bands (ev): -4.0112 -4.0112 2.9104 2.9104 4.8233 4.8233 5.0104 5.0104 7.2499 7.2499 7.3690 7.3690 7.4352 7.4352 7.6200 7.6200 7.7528 7.7528 7.7833 7.7833 7.8514 7.8514 7.9926 7.9926 9.4899 9.4899 9.7446 9.7446 11.4408 11.4408 14.5616 14.5616 15.2210 15.2210 16.3019 16.3019 k = 0.5000 0.2309 0.2858 ( 1554 PWs) bands (ev): -4.0177 -4.0177 2.8947 2.8947 4.8593 4.8593 5.0094 5.0094 7.2602 7.2602 7.3762 7.3762 7.4476 7.4476 7.6266 7.6266 7.7430 7.7430 7.7804 7.7804 7.8399 7.8399 7.9810 7.9810 9.5402 9.5402 9.7751 9.7751 11.3466 11.3466 14.6179 14.6179 15.1578 15.1578 16.3091 16.3091 k = 0.5000 0.2382 0.2756 ( 1548 PWs) bands (ev): -4.0235 -4.0235 2.8807 2.8807 4.8919 4.8919 5.0087 5.0087 7.2694 7.2694 7.3830 7.3830 7.4600 7.4600 7.6332 7.6332 7.7339 7.7339 7.7783 7.7783 7.8289 7.8289 7.9695 7.9695 9.5900 9.5900 9.8034 9.8034 11.2565 11.2565 14.6735 14.6735 15.1020 15.1020 16.3107 16.3107 k = 0.5000 0.2454 0.2654 ( 1546 PWs) bands (ev): -4.0286 -4.0286 2.8685 2.8685 4.9206 4.9206 5.0080 5.0080 7.2773 7.2773 7.3893 7.3893 7.4719 7.4719 7.6391 7.6391 7.7258 7.7258 7.7769 7.7769 7.8183 7.8183 7.9582 7.9582 9.6378 9.6378 9.8296 9.8296 11.1718 11.1718 14.7270 14.7270 15.0538 15.0538 16.3075 16.3075 k = 0.5000 0.2526 0.2552 ( 1546 PWs) bands (ev): -4.0330 -4.0330 2.8581 2.8581 4.9451 4.9451 5.0077 5.0077 7.2838 7.2838 7.3951 7.3951 7.4832 7.4832 7.6437 7.6437 7.7193 7.7193 7.7763 7.7763 7.8083 7.8083 7.9473 7.9473 9.6821 9.6821 9.8539 9.8539 11.0939 11.0939 14.7766 14.7766 15.0133 15.0133 16.3007 16.3007 k = 0.5000 0.2598 0.2449 ( 1552 PWs) bands (ev): -4.0366 -4.0366 2.8496 2.8496 4.9651 4.9651 5.0077 5.0077 7.2888 7.2888 7.4003 7.4003 7.4935 7.4935 7.6464 7.6464 7.7149 7.7149 7.7763 7.7763 7.7993 7.7993 7.9374 7.9374 9.7209 9.7209 9.8766 9.8766 11.0245 11.0245 14.8201 14.8201 14.9811 14.9811 16.2915 16.2915 k = 0.5000 0.2670 0.2347 ( 1552 PWs) bands (ev): -4.0394 -4.0394 2.8429 2.8429 4.9800 4.9800 5.0085 5.0085 7.2927 7.2927 7.4046 7.4046 7.5024 7.5024 7.6471 7.6471 7.7127 7.7127 7.7769 7.7769 7.7915 7.7915 7.9289 7.9289 9.7524 9.7524 9.8973 9.8973 10.9662 10.9662 14.8546 14.8546 14.9581 14.9581 16.2817 16.2817 k = 0.5000 0.2742 0.2245 ( 1550 PWs) bands (ev): -4.0414 -4.0414 2.8382 2.8382 4.9895 4.9895 5.0104 5.0104 7.2954 7.2954 7.4080 7.4080 7.5093 7.5093 7.6465 7.6465 7.7123 7.7123 7.7777 7.7777 7.7856 7.7856 7.9222 7.9222 9.7750 9.7750 9.9149 9.9149 10.9215 10.9215 14.8767 14.8767 14.9459 14.9459 16.2731 16.2731 k = 0.5000 0.2815 0.2143 ( 1542 PWs) bands (ev): -4.0427 -4.0427 2.8353 2.8353 4.9940 4.9940 5.0128 5.0128 7.2971 7.2971 7.4102 7.4102 7.5138 7.5138 7.6456 7.6456 7.7127 7.7127 7.7783 7.7783 7.7819 7.7819 7.9181 7.9181 9.7885 9.7885 9.9271 9.9271 10.8932 10.8932 14.8855 14.8855 14.9439 14.9439 16.2672 16.2672 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -4.0431 -4.0431 2.8344 2.8344 4.9953 4.9953 5.0140 5.0140 7.2977 7.2977 7.4109 7.4109 7.5154 7.5154 7.6452 7.6452 7.7130 7.7130 7.7783 7.7783 7.7809 7.7809 7.9166 7.9166 9.7930 9.7930 9.9315 9.9315 10.8835 10.8835 14.8869 14.8869 14.9448 14.9448 16.2651 16.2651 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -4.0431 -4.0431 2.8344 2.8344 4.9953 4.9953 5.0140 5.0140 7.2977 7.2977 7.4109 7.4109 7.5154 7.5154 7.6452 7.6452 7.7130 7.7130 7.7783 7.7783 7.7809 7.7809 7.9166 7.9166 9.7930 9.7930 9.9315 9.9315 10.8835 10.8835 14.8869 14.8869 14.9448 14.9448 16.2651 16.2651 k = 0.4964 0.2866 0.2158 ( 1543 PWs) bands (ev): -4.0427 -4.0427 2.8353 2.8353 4.9941 4.9941 5.0129 5.0129 7.2971 7.2971 7.4102 7.4102 7.5139 7.5139 7.6456 7.6456 7.7127 7.7127 7.7783 7.7783 7.7819 7.7819 7.9180 7.9180 9.7886 9.7886 9.9272 9.9272 10.8930 10.8930 14.8855 14.8855 14.9439 14.9439 16.2671 16.2671 k = 0.4929 0.2846 0.2275 ( 1549 PWs) bands (ev): -4.0415 -4.0415 2.8381 2.8381 4.9897 4.9897 5.0105 5.0105 7.2955 7.2955 7.4081 7.4081 7.5094 7.5094 7.6465 7.6465 7.7123 7.7123 7.7777 7.7777 7.7855 7.7855 7.9221 7.9221 9.7754 9.7754 9.9153 9.9153 10.9207 10.9207 14.8771 14.8771 14.9458 14.9458 16.2729 16.2729 k = 0.4893 0.2825 0.2391 ( 1549 PWs) bands (ev): -4.0395 -4.0395 2.8428 2.8428 4.9804 4.9804 5.0085 5.0085 7.2928 7.2928 7.4048 7.4048 7.5026 7.5026 7.6472 7.6472 7.7126 7.7126 7.7771 7.7771 7.7913 7.7913 7.9287 7.9287 9.7532 9.7532 9.8980 9.8980 10.9646 10.9646 14.8556 14.8556 14.9574 14.9574 16.2814 16.2814 k = 0.4857 0.2804 0.2508 ( 1549 PWs) bands (ev): -4.0367 -4.0367 2.8493 2.8493 4.9658 4.9658 5.0077 5.0077 7.2891 7.2891 7.4005 7.4005 7.4938 7.4938 7.6468 7.6468 7.7142 7.7142 7.7770 7.7770 7.7987 7.7987 7.9371 7.9371 9.7223 9.7223 9.8776 9.8776 11.0218 11.0218 14.8221 14.8221 14.9796 14.9796 16.2911 16.2911 k = 0.4821 0.2784 0.2624 ( 1549 PWs) bands (ev): -4.0332 -4.0332 2.8576 2.8576 4.9462 4.9462 5.0077 5.0077 7.2840 7.2840 7.3955 7.3955 7.4835 7.4835 7.6449 7.6449 7.7172 7.7172 7.7779 7.7779 7.8072 7.8072 7.9468 7.9468 9.6840 9.6840 9.8555 9.8555 11.0898 11.0898 14.7799 14.7799 15.0106 15.0106 16.3003 16.3003 k = 0.4786 0.2763 0.2741 ( 1544 PWs) bands (ev): -4.0289 -4.0289 2.8678 2.8678 4.9221 4.9221 5.0081 5.0081 7.2778 7.2778 7.3899 7.3899 7.4720 7.4720 7.6416 7.6416 7.7213 7.7213 7.7802 7.7802 7.8166 7.8166 7.9575 7.9575 9.6400 9.6400 9.8322 9.8322 11.1662 11.1662 14.7322 14.7322 15.0493 15.0493 16.3073 16.3073 k = 0.4750 0.2742 0.2858 ( 1546 PWs) bands (ev): -4.0239 -4.0239 2.8797 2.8797 4.8939 4.8939 5.0088 5.0088 7.2701 7.2701 7.3839 7.3839 7.4595 7.4595 7.6375 7.6375 7.7258 7.7258 7.7842 7.7842 7.8266 7.8266 7.9687 7.9687 9.5923 9.5923 9.8074 9.8074 11.2488 11.2488 14.6812 14.6812 15.0952 15.0952 16.3107 16.3107 k = 0.4714 0.2722 0.2974 ( 1546 PWs) bands (ev): -4.0182 -4.0182 2.8934 2.8934 4.8618 4.8618 5.0098 5.0098 7.2611 7.2611 7.3777 7.3777 7.4464 7.4464 7.6331 7.6331 7.7302 7.7302 7.7899 7.7899 7.8371 7.8371 7.9802 7.9802 9.5424 9.5424 9.7811 9.7811 11.3361 11.3361 14.6290 14.6290 15.1478 15.1478 16.3096 16.3096 k = 0.4679 0.2701 0.3091 ( 1550 PWs) bands (ev): -4.0119 -4.0119 2.9088 2.9088 4.8262 4.8262 5.0109 5.0109 7.2508 7.2508 7.3712 7.3712 7.4326 7.4326 7.6289 7.6289 7.7343 7.7343 7.7970 7.7970 7.8478 7.8478 7.9916 7.9916 9.4915 9.4915 9.7532 9.7532 11.4265 11.4265 14.5775 14.5775 15.2068 15.2068 16.3030 16.3030 k = 0.4643 0.2681 0.3208 ( 1550 PWs) bands (ev): -4.0048 -4.0048 2.9259 2.9259 4.7873 4.7873 5.0123 5.0123 7.2394 7.2394 7.3645 7.3645 7.4186 7.4186 7.6253 7.6253 7.7380 7.7380 7.8052 7.8052 7.8588 7.8588 8.0029 8.0029 9.4406 9.4406 9.7237 9.7237 11.5188 11.5188 14.5283 14.5283 15.2720 15.2720 16.2907 16.2907 k = 0.4607 0.2660 0.3324 ( 1553 PWs) bands (ev): -3.9972 -3.9972 2.9446 2.9446 4.7455 4.7455 5.0137 5.0137 7.2270 7.2270 7.3573 7.3573 7.4044 7.4044 7.6225 7.6225 7.7414 7.7414 7.8141 7.8141 7.8698 7.8698 8.0138 8.0138 9.3903 9.3903 9.6927 9.6927 11.6116 11.6116 14.4831 14.4831 15.3430 15.3430 16.2724 16.2724 k = 0.4571 0.2639 0.3441 ( 1553 PWs) bands (ev): -3.9890 -3.9890 2.9648 2.9648 4.7012 4.7012 5.0153 5.0153 7.2138 7.2138 7.3497 7.3497 7.3904 7.3904 7.6207 7.6207 7.7447 7.7447 7.8233 7.8233 7.8810 7.8810 8.0242 8.0242 9.3411 9.3411 9.6603 9.6603 11.7038 11.7038 14.4433 14.4433 15.4196 15.4196 16.2480 16.2480 k = 0.4536 0.2619 0.3558 ( 1555 PWs) bands (ev): -3.9803 -3.9803 2.9864 2.9864 4.6545 4.6545 5.0170 5.0170 7.1999 7.1999 7.3412 7.3412 7.3768 7.3768 7.6201 7.6201 7.7479 7.7479 7.8326 7.8326 7.8920 7.8920 8.0342 8.0342 9.2932 9.2932 9.6267 9.6267 11.7940 11.7940 14.4103 14.4103 15.5013 15.5013 16.2177 16.2177 k = 0.4500 0.2598 0.3674 ( 1563 PWs) bands (ev): -3.9711 -3.9711 3.0094 3.0094 4.6059 4.6059 5.0187 5.0187 7.1855 7.1855 7.3318 7.3318 7.3638 7.3638 7.6205 7.6205 7.7508 7.7508 7.8416 7.8416 7.9028 7.9028 8.0433 8.0433 9.2471 9.2471 9.5922 9.5922 11.8809 11.8809 14.3856 14.3856 15.5880 15.5880 16.1819 16.1819 k = 0.4464 0.2577 0.3791 ( 1563 PWs) bands (ev): -3.9614 -3.9614 3.0337 3.0337 4.5559 4.5559 5.0207 5.0207 7.1707 7.1707 7.3212 7.3212 7.3518 7.3518 7.6223 7.6223 7.7537 7.7537 7.8503 7.8503 7.9135 7.9135 8.0519 8.0519 9.2029 9.2029 9.5569 9.5569 11.9632 11.9632 14.3704 14.3704 15.6793 15.6793 16.1408 16.1408 k = 0.4429 0.2557 0.3908 ( 1561 PWs) bands (ev): -3.9514 -3.9514 3.0590 3.0590 4.5047 4.5047 5.0228 5.0228 7.1556 7.1556 7.3096 7.3096 7.3408 7.3408 7.6253 7.6253 7.7564 7.7564 7.8586 7.8586 7.9237 7.9237 8.0596 8.0596 9.1610 9.1610 9.5211 9.5211 12.0397 12.0397 14.3661 14.3661 15.7747 15.7747 16.0950 16.0950 k = 0.4393 0.2536 0.4024 ( 1561 PWs) bands (ev): -3.9411 -3.9411 3.0853 3.0853 4.4528 4.4528 5.0249 5.0249 7.1403 7.1403 7.2972 7.2972 7.3305 7.3305 7.6295 7.6295 7.7589 7.7589 7.8663 7.8663 7.9336 7.9336 8.0665 8.0665 9.1212 9.1212 9.4849 9.4849 12.1091 12.1091 14.3736 14.3736 15.8734 15.8734 16.0454 16.0454 k = 0.4357 0.2516 0.4141 ( 1561 PWs) bands (ev): -3.9306 -3.9306 3.1123 3.1123 4.4007 4.4007 5.0271 5.0271 7.1249 7.1249 7.2844 7.2844 7.3207 7.3207 7.6348 7.6348 7.7612 7.7612 7.8734 7.8734 7.9430 7.9430 8.0728 8.0728 9.0837 9.0837 9.4487 9.4487 12.1705 12.1705 14.3935 14.3935 15.9623 15.9623 16.0054 16.0054 k = 0.4321 0.2495 0.4257 ( 1559 PWs) bands (ev): -3.9198 -3.9198 3.1397 3.1397 4.3487 4.3487 5.0295 5.0295 7.1095 7.1095 7.2714 7.2714 7.3112 7.3112 7.6412 7.6412 7.7632 7.7632 7.8798 7.8798 7.9517 7.9517 8.0783 8.0783 9.0488 9.0488 9.4125 9.4125 12.2233 12.2233 14.4262 14.4262 15.9270 15.9270 16.0895 16.0895 k = 0.4286 0.2474 0.4374 ( 1559 PWs) bands (ev): -3.9089 -3.9089 3.1673 3.1673 4.2976 4.2976 5.0319 5.0319 7.0942 7.0942 7.2584 7.2584 7.3019 7.3019 7.6485 7.6485 7.7649 7.7649 7.8855 7.8855 7.9597 7.9597 8.0831 8.0831 9.0163 9.0163 9.3766 9.3766 12.2671 12.2671 14.4712 14.4712 15.8675 15.8675 16.1981 16.1981 k = 0.4250 0.2454 0.4491 ( 1563 PWs) bands (ev): -3.8980 -3.8980 3.1946 3.1946 4.2479 4.2479 5.0343 5.0343 7.0790 7.0790 7.2457 7.2457 7.2927 7.2927 7.6566 7.6566 7.7663 7.7663 7.8905 7.8905 7.9669 7.9669 8.0873 8.0873 8.9864 8.9864 9.3411 9.3411 12.3021 12.3021 14.5276 14.5276 15.8053 15.8053 16.3103 16.3103 k = 0.4214 0.2433 0.4607 ( 1563 PWs) bands (ev): -3.8871 -3.8871 3.2212 3.2212 4.2003 4.2003 5.0367 5.0367 7.0641 7.0641 7.2332 7.2332 7.2836 7.2836 7.6654 7.6654 7.7674 7.7674 7.8946 7.8946 7.9732 7.9732 8.0910 8.0910 8.9591 8.9591 9.3064 9.3064 12.3287 12.3287 14.5935 14.5935 15.7424 15.7424 16.4249 16.4249 k = 0.4179 0.2412 0.4724 ( 1566 PWs) bands (ev): -3.8763 -3.8763 3.2464 3.2464 4.1556 4.1556 5.0391 5.0391 7.0496 7.0496 7.2210 7.2210 7.2745 7.2745 7.6749 7.6749 7.7683 7.7683 7.8980 7.8980 7.9784 7.9784 8.0945 8.0945 8.9342 8.9342 9.2724 9.2724 12.3478 12.3478 14.6660 14.6660 15.6810 15.6810 16.5412 16.5412 k = 0.4143 0.2392 0.4841 ( 1566 PWs) bands (ev): -3.8657 -3.8657 3.2694 3.2694 4.1147 4.1147 5.0416 5.0416 7.0354 7.0354 7.2091 7.2091 7.2656 7.2656 7.6848 7.6848 7.7690 7.7690 7.9006 7.9006 7.9825 7.9825 8.0978 8.0978 8.9120 8.9120 9.2394 9.2394 12.3603 12.3603 14.7406 14.7406 15.6243 15.6243 16.6588 16.6588 k = 0.4107 0.2371 0.4957 ( 1562 PWs) bands (ev): -3.8553 -3.8553 3.2893 3.2893 4.0789 4.0789 5.0441 5.0441 7.0218 7.0218 7.1976 7.1976 7.2568 7.2568 7.6950 7.6950 7.7698 7.7698 7.9024 7.9024 7.9855 7.9855 8.1012 8.1012 8.8921 8.8921 9.2077 9.2077 12.3672 12.3672 14.8109 14.8109 15.5777 15.5777 16.7767 16.7767 k = 0.4071 0.2351 0.5074 ( 1562 PWs) bands (ev): -3.8453 -3.8453 3.3052 3.3052 4.0491 4.0491 5.0465 5.0465 7.0087 7.0087 7.1863 7.1863 7.2480 7.2480 7.7051 7.7051 7.7709 7.7709 7.9034 7.9034 7.9873 7.9873 8.1048 8.1048 8.8746 8.8746 9.1771 9.1771 12.3696 12.3696 14.8670 14.8670 15.5493 15.5493 16.8944 16.8944 k = 0.4036 0.2330 0.5191 ( 1563 PWs) bands (ev): -3.8357 -3.8357 3.3159 3.3159 4.0266 4.0266 5.0489 5.0489 6.9962 6.9962 7.1754 7.1754 7.2394 7.2394 7.7146 7.7146 7.7727 7.7727 7.9037 7.9037 7.9879 7.9879 8.1085 8.1085 8.8593 8.8593 9.1479 9.1479 12.3684 12.3684 14.8975 14.8975 15.5491 15.5491 17.0106 17.0106 k = 0.4000 0.2309 0.5307 ( 1563 PWs) bands (ev): -3.8266 -3.8266 3.3207 3.3207 4.0124 4.0124 5.0512 5.0512 6.9844 6.9844 7.1648 7.1648 7.2309 7.2309 7.7227 7.7227 7.7759 7.7759 7.9033 7.9033 7.9876 7.9876 8.1127 8.1127 8.8461 8.8461 9.1203 9.1203 12.3644 12.3644 14.8951 14.8951 15.5826 15.5826 17.1244 17.1244 k = 0.3964 0.2289 0.5424 ( 1565 PWs) bands (ev): -3.8181 -3.8181 3.3190 3.3190 4.0071 4.0071 5.0534 5.0534 6.9733 6.9733 7.1543 7.1543 7.2225 7.2225 7.7289 7.7289 7.7811 7.7811 7.9024 7.9024 7.9865 7.9865 8.1173 8.1173 8.8348 8.8348 9.0941 9.0941 12.3585 12.3585 14.8623 14.8623 15.6453 15.6453 17.2343 17.2343 k = 0.3929 0.2268 0.5541 ( 1563 PWs) bands (ev): -3.8103 -3.8103 3.3109 3.3109 4.0106 4.0106 5.0555 5.0555 6.9631 6.9631 7.1442 7.1442 7.2143 7.2143 7.7328 7.7328 7.7884 7.7884 7.9012 7.9012 7.9849 7.9849 8.1222 8.1222 8.8252 8.8252 9.0697 9.0697 12.3511 12.3511 14.8076 14.8076 15.7268 15.7268 17.3388 17.3388 k = 0.3893 0.2248 0.5657 ( 1563 PWs) bands (ev): -3.8033 -3.8033 3.2971 3.2971 4.0225 4.0225 5.0576 5.0576 6.9536 6.9536 7.1343 7.1343 7.2063 7.2063 7.7348 7.7348 7.7971 7.7971 7.9002 7.9002 7.9831 7.9831 8.1274 8.1274 8.8170 8.8170 9.0470 9.0470 12.3429 12.3429 14.7389 14.7389 15.8167 15.8167 17.4358 17.4358 k = 0.3857 0.2227 0.5774 ( 1565 PWs) bands (ev): -3.7971 -3.7971 3.2786 3.2786 4.0416 4.0416 5.0594 5.0594 6.9451 6.9451 7.1246 7.1246 7.1983 7.1983 7.7353 7.7353 7.8060 7.8060 7.8999 7.8999 7.9813 7.9813 8.1329 8.1329 8.8103 8.8103 9.0259 9.0259 12.3343 12.3343 14.6614 14.6614 15.9070 15.9070 17.5235 17.5235 k = 0.3821 0.2206 0.5890 ( 1566 PWs) bands (ev): -3.7918 -3.7918 3.2567 3.2567 4.0669 4.0669 5.0611 5.0611 6.9375 6.9375 7.1151 7.1151 7.1905 7.1905 7.7348 7.7348 7.8138 7.8138 7.9014 7.9014 7.9799 7.9799 8.1385 8.1385 8.8048 8.8048 9.0066 9.0066 12.3255 12.3255 14.5786 14.5786 15.9915 15.9915 17.5991 17.5991 k = 0.3786 0.2186 0.6007 ( 1568 PWs) bands (ev): -3.7875 -3.7875 3.2324 3.2324 4.0973 4.0973 5.0626 5.0626 6.9308 6.9308 7.1060 7.1060 7.1827 7.1827 7.7339 7.7339 7.8190 7.8190 7.9057 7.9057 7.9792 7.9792 8.1443 8.1443 8.8003 8.8003 8.9890 8.9890 12.3169 12.3169 14.4923 14.4923 16.0658 16.0658 17.6580 17.6580 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -3.7843 -3.7843 3.2069 3.2069 4.1316 4.1316 5.0639 5.0639 6.9251 6.9251 7.0973 7.0973 7.1751 7.1751 7.7325 7.7325 7.8208 7.8208 7.9138 7.9138 7.9795 7.9795 8.1503 8.1503 8.7966 8.7966 8.9732 8.9732 12.3087 12.3087 14.4040 14.4040 16.1265 16.1265 17.7032 17.7032 k = 0.6188-0.0830 0.4082 ( 1568 PWs) bands (ev): -3.7800 -3.7800 3.1627 3.1627 4.1952 4.1952 5.0660 5.0660 6.9162 6.9162 7.0818 7.0818 7.1621 7.1621 7.7299 7.7299 7.8199 7.8199 7.9319 7.9319 7.9821 7.9821 8.1611 8.1611 8.7908 8.7908 8.9475 8.9475 12.2950 12.2950 14.2456 14.2456 16.2197 16.2197 17.7871 17.7871 k = 0.6125-0.0938 0.4082 ( 1560 PWs) bands (ev): -3.7763 -3.7763 3.1203 3.1203 4.2599 4.2599 5.0679 5.0679 6.9077 6.9077 7.0657 7.0657 7.1496 7.1496 7.7274 7.7274 7.8181 7.8181 7.9506 7.9506 7.9868 7.9868 8.1722 8.1722 8.7849 8.7849 8.9231 8.9231 12.2819 12.2819 14.0838 14.0838 16.3127 16.3127 17.8757 17.8757 k = 0.6062-0.1046 0.4082 ( 1564 PWs) bands (ev): -3.7732 -3.7732 3.0798 3.0798 4.3252 4.3252 5.0697 5.0697 6.8996 6.8996 7.0485 7.0485 7.1377 7.1377 7.7249 7.7249 7.8158 7.8158 7.9687 7.9687 7.9940 7.9940 8.1834 8.1834 8.7785 8.7785 8.9000 8.9000 12.2692 12.2692 13.9208 13.9208 16.4052 16.4052 17.9656 17.9656 k = 0.6000-0.1155 0.4082 ( 1558 PWs) bands (ev): -3.7706 -3.7706 3.0412 3.0412 4.3909 4.3909 5.0713 5.0713 6.8919 6.8919 7.0306 7.0306 7.1265 7.1265 7.7224 7.7224 7.8133 7.8133 7.9850 7.9850 8.0048 8.0048 8.1950 8.1950 8.7714 8.7714 8.8788 8.8788 12.2571 12.2571 13.7586 13.7586 16.4969 16.4969 18.0569 18.0569 k = 0.5938-0.1263 0.4082 ( 1566 PWs) bands (ev): -3.7686 -3.7686 3.0047 3.0047 4.4564 4.4564 5.0729 5.0729 6.8845 6.8845 7.0122 7.0122 7.1158 7.1158 7.7201 7.7201 7.8108 7.8108 7.9986 7.9986 8.0193 8.0193 8.2059 8.2059 8.7631 8.7631 8.8598 8.8598 12.2455 12.2455 13.5986 13.5986 16.5874 16.5874 18.1504 18.1504 k = 0.5875-0.1371 0.4082 ( 1580 PWs) bands (ev): -3.7669 -3.7669 2.9703 2.9703 4.5213 4.5213 5.0742 5.0742 6.8777 6.8777 6.9933 6.9933 7.1058 7.1058 7.7177 7.7177 7.8084 7.8084 8.0107 8.0107 8.0361 8.0361 8.2168 8.2168 8.7531 8.7531 8.8432 8.8432 12.2345 12.2345 13.4424 13.4424 16.6764 16.6764 18.2462 18.2462 k = 0.5813-0.1479 0.4082 ( 1580 PWs) bands (ev): -3.7657 -3.7657 2.9381 2.9381 4.5852 4.5852 5.0755 5.0755 6.8713 6.8713 6.9742 6.9742 7.0965 7.0965 7.7157 7.7157 7.8062 7.8062 8.0229 8.0229 8.0538 8.0538 8.2276 8.2276 8.7414 8.7414 8.8299 8.8299 12.2240 12.2240 13.2911 13.2911 16.7634 16.7634 18.3444 18.3444 k = 0.5750-0.1588 0.4082 ( 1580 PWs) bands (ev): -3.7647 -3.7647 2.9081 2.9081 4.6475 4.6475 5.0767 5.0767 6.8655 6.8655 6.9550 6.9550 7.0880 7.0880 7.7138 7.7138 7.8041 7.8041 8.0355 8.0355 8.0714 8.0714 8.2382 8.2382 8.7280 8.7280 8.8195 8.8195 12.2139 12.2139 13.1460 13.1460 16.8480 16.8480 18.4446 18.4446 k = 0.5687-0.1696 0.4082 ( 1580 PWs) bands (ev): -3.7640 -3.7640 2.8803 2.8803 4.7078 4.7078 5.0778 5.0778 6.8601 6.8601 6.9360 6.9360 7.0801 7.0801 7.7120 7.7120 7.8023 7.8023 8.0486 8.0486 8.0885 8.0885 8.2487 8.2487 8.7132 8.7132 8.8116 8.8116 12.2042 12.2042 13.0080 13.0080 16.9297 16.9297 18.5467 18.5467 k = 0.5625-0.1804 0.4082 ( 1570 PWs) bands (ev): -3.7635 -3.7635 2.8548 2.8548 4.7655 4.7655 5.0788 5.0788 6.8554 6.8554 6.9174 6.9174 7.0730 7.0730 7.7105 7.7105 7.8008 7.8008 8.0620 8.0620 8.1049 8.1049 8.2590 8.2590 8.6979 8.6979 8.8057 8.8057 12.1948 12.1948 12.8785 12.8785 17.0078 17.0078 18.6501 18.6501 k = 0.5563-0.1912 0.4082 ( 1572 PWs) bands (ev): -3.7632 -3.7632 2.8317 2.8317 4.8200 4.8200 5.0798 5.0798 6.8508 6.8508 6.8994 6.8994 7.0665 7.0665 7.7090 7.7090 7.7994 7.7994 8.0752 8.0752 8.1204 8.1204 8.2691 8.2691 8.6822 8.6822 8.8013 8.8013 12.1853 12.1853 12.7583 12.7583 17.0817 17.0817 18.7543 18.7543 k = 0.5500-0.2021 0.4082 ( 1568 PWs) bands (ev): -3.7631 -3.7631 2.8109 2.8109 4.8708 4.8708 5.0806 5.0806 6.8469 6.8469 6.8824 6.8824 7.0608 7.0608 7.7077 7.7077 7.7983 7.7983 8.0881 8.0881 8.1347 8.1347 8.2790 8.2790 8.6669 8.6669 8.7980 8.7980 12.1757 12.1757 12.6489 12.6489 17.1508 17.1508 18.8585 18.8585 k = 0.5437-0.2129 0.4082 ( 1572 PWs) bands (ev): -3.7630 -3.7630 2.7924 2.7924 4.9173 4.9173 5.0814 5.0814 6.8431 6.8431 6.8667 6.8667 7.0555 7.0555 7.7065 7.7065 7.7973 7.7973 8.1002 8.1002 8.1478 8.1478 8.2887 8.2887 8.6522 8.6522 8.7954 8.7954 12.1655 12.1655 12.5514 12.5514 17.2143 17.2143 18.9617 18.9617 k = 0.5375-0.2237 0.4082 ( 1572 PWs) bands (ev): -3.7631 -3.7631 2.7764 2.7764 4.9588 4.9588 5.0823 5.0823 6.8390 6.8390 6.8532 6.8532 7.0511 7.0511 7.7055 7.7055 7.7965 7.7965 8.1115 8.1115 8.1594 8.1594 8.2981 8.2981 8.6384 8.6384 8.7935 8.7935 12.1540 12.1540 12.4673 12.4673 17.2715 17.2715 19.0624 19.0624 k = 0.5312-0.2345 0.4082 ( 1572 PWs) bands (ev): -3.7631 -3.7631 2.7629 2.7629 4.9949 4.9949 5.0831 5.0831 6.8329 6.8329 6.8438 6.8438 7.0474 7.0474 7.7046 7.7046 7.7958 7.7958 8.1216 8.1216 8.1695 8.1695 8.3069 8.3069 8.6260 8.6260 8.7921 8.7921 12.1407 12.1407 12.3981 12.3981 17.3215 17.3215 19.1586 19.1586 k = 0.5250-0.2454 0.4082 ( 1580 PWs) bands (ev): -3.7632 -3.7632 2.7517 2.7517 5.0247 5.0247 5.0842 5.0842 6.8243 6.8243 6.8393 6.8393 7.0441 7.0441 7.7038 7.7038 7.7953 7.7953 8.1299 8.1299 8.1777 8.1777 8.3148 8.3148 8.6152 8.6152 8.7911 8.7911 12.1253 12.1253 12.3449 12.3449 17.3637 17.3637 19.2473 19.2473 k = 0.5188-0.2562 0.4082 ( 1582 PWs) bands (ev): -3.7633 -3.7633 2.7430 2.7430 5.0476 5.0476 5.0859 5.0859 6.8162 6.8162 6.8370 6.8370 7.0417 7.0417 7.7033 7.7033 7.7949 7.7949 8.1368 8.1368 8.1842 8.1842 8.3216 8.3216 8.6063 8.6063 8.7903 8.7903 12.1086 12.1086 12.3073 12.3073 17.3974 17.3974 19.3244 19.3244 k = 0.5125-0.2670 0.4082 ( 1584 PWs) bands (ev): -3.7634 -3.7634 2.7368 2.7368 5.0626 5.0626 5.0888 5.0888 6.8099 6.8099 6.8355 6.8355 7.0400 7.0400 7.7028 7.7028 7.7946 7.7946 8.1419 8.1419 8.1889 8.1889 8.3270 8.3270 8.5995 8.5995 8.7898 8.7898 12.0933 12.0933 12.2835 12.2835 17.4219 17.4219 19.3840 19.3840 k = 0.5062-0.2778 0.4082 ( 1588 PWs) bands (ev): -3.7635 -3.7635 2.7331 2.7331 5.0699 5.0699 5.0923 5.0923 6.8060 6.8060 6.8346 6.8346 7.0390 7.0390 7.7026 7.7026 7.7944 7.7944 8.1449 8.1449 8.1917 8.1917 8.3303 8.3303 8.5953 8.5953 8.7895 8.7895 12.0824 12.0824 12.2707 12.2707 17.4368 17.4368 19.4200 19.4200 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -3.7635 -3.7635 2.7319 2.7319 5.0718 5.0718 5.0940 5.0940 6.8047 6.8047 6.8343 6.8343 7.0387 7.0387 7.7025 7.7025 7.7944 7.7944 8.1460 8.1460 8.1926 8.1926 8.3315 8.3315 8.5939 8.5939 8.7894 8.7894 12.0785 12.0785 12.2666 12.2666 17.4418 17.4418 19.4313 19.4315 Writing output data file Cu2S.save init_run : 0.18s CPU 0.41s WALL ( 1 calls) electrons : 57.59s CPU 59.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 57.58s CPU 59.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 375 calls) cegterg : 52.29s CPU 53.25s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 24.72s CPU 25.68s WALL ( 7103 calls) s_psi : 1.70s CPU 1.78s WALL ( 7103 calls) g_psi : 0.04s CPU 0.05s WALL ( 6245 calls) cdiaghg : 25.66s CPU 25.59s WALL ( 6620 calls) cegterg:over : 1.58s CPU 1.58s WALL ( 6245 calls) cegterg:upda : 1.02s CPU 1.05s WALL ( 6245 calls) cegterg:last : 0.52s CPU 0.68s WALL ( 1193 calls) cdiaghg:chol : 1.22s CPU 1.31s WALL ( 6620 calls) cdiaghg:inve : 0.61s CPU 0.65s WALL ( 6620 calls) cdiaghg:para : 1.58s CPU 1.52s WALL ( 13240 calls) Called by h_psi: h_psi:vloc : 21.06s CPU 21.69s WALL ( 7103 calls) h_psi:vnl : 3.60s CPU 3.95s WALL ( 7103 calls) add_vuspsi : 2.06s CPU 2.20s WALL ( 7103 calls) General routines calbec : 1.52s CPU 1.73s WALL ( 7103 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.64s CPU 20.25s WALL ( 502336 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.10s WALL ( 750 calls) Parallel routines fft_scatter : 9.89s CPU 10.03s WALL ( 502359 calls) PWSCF : 1m 7.10s CPU 1m22.62s WALL This run was terminated on: 17:41:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=