Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:18:29 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: ./AgCl.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 19 5 452 329 53 Max 24 20 6 456 342 58 Sum 847 685 211 16361 12039 1989 bravais-lattice index = 14 lattice parameter (alat) = 7.4112 a.u. unit-cell volume = 287.8370 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.411177 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Cl 7.00 35.45300 Cl( 1.00) Ag 11.00 107.86820 Ag( 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= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 -0.0050645 0.0071623), wk = 0.0026247 k( 3) = ( 0.0175439 -0.0101290 0.0143245), wk = 0.0026247 k( 4) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0026247 k( 5) = ( 0.0350877 -0.0202579 0.0286490), wk = 0.0026247 k( 6) = ( 0.0438597 -0.0253224 0.0358113), wk = 0.0026247 k( 7) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0026247 k( 8) = ( 0.0614035 -0.0354513 0.0501358), wk = 0.0026247 k( 9) = ( 0.0701754 -0.0405158 0.0572980), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0026247 k( 11) = ( 0.0877193 -0.0506448 0.0716225), wk = 0.0026247 k( 12) = ( 0.0964912 -0.0557092 0.0787848), wk = 0.0026247 k( 13) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0026247 k( 14) = ( 0.1140351 -0.0658382 0.0931093), wk = 0.0026247 k( 15) = ( 0.1228070 -0.0709027 0.1002715), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0026247 k( 17) = ( 0.1403509 -0.0810316 0.1145960), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0860961 0.1217583), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0026247 k( 21) = ( 0.1754386 -0.1012895 0.1432450), wk = 0.0026247 k( 22) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0026247 k( 23) = ( 0.1929825 -0.1114185 0.1575695), wk = 0.0026247 k( 24) = ( 0.2017544 -0.1164830 0.1647318), wk = 0.0026247 k( 25) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0026247 k( 26) = ( 0.2192983 -0.1266119 0.1790563), wk = 0.0026247 k( 27) = ( 0.2280702 -0.1316764 0.1862185), wk = 0.0026247 k( 28) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0026247 k( 29) = ( 0.2456140 -0.1418053 0.2005430), wk = 0.0026247 k( 30) = ( 0.2543860 -0.1468698 0.2077053), wk = 0.0026247 k( 31) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0026247 k( 32) = ( 0.2719298 -0.1569988 0.2220298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.1620632 0.2291920), wk = 0.0026247 k( 34) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0026247 k( 35) = ( 0.2982456 -0.1721922 0.2435165), wk = 0.0026247 k( 36) = ( 0.3070175 -0.1772567 0.2506788), wk = 0.0026247 k( 37) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0026247 k( 38) = ( 0.3245614 -0.1873856 0.2650033), wk = 0.0026247 k( 39) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0026247 k( 40) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0026247 k( 41) = ( 0.3508772 -0.2025790 0.2864900), wk = 0.0026247 k( 42) = ( 0.3596491 -0.2076435 0.2936523), wk = 0.0026247 k( 43) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0026247 k( 44) = ( 0.3771930 -0.2177725 0.3079768), wk = 0.0026247 k( 45) = ( 0.3859649 -0.2228369 0.3151390), wk = 0.0026247 k( 46) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0026247 k( 47) = ( 0.4035088 -0.2329659 0.3294635), wk = 0.0026247 k( 48) = ( 0.4122807 -0.2380304 0.3366258), wk = 0.0026247 k( 49) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0026247 k( 50) = ( 0.4298246 -0.2481593 0.3509503), wk = 0.0026247 k( 51) = ( 0.4385965 -0.2532238 0.3581125), wk = 0.0026247 k( 52) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0026247 k( 53) = ( 0.4561404 -0.2633528 0.3724370), wk = 0.0026247 k( 54) = ( 0.4649123 -0.2684172 0.3795993), wk = 0.0026247 k( 55) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0026247 k( 56) = ( 0.4824561 -0.2785462 0.3939238), wk = 0.0026247 k( 57) = ( 0.4912281 -0.2836107 0.4010860), wk = 0.0026247 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 k( 60) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0026247 k( 61) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0026247 k( 62) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0026247 k( 63) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0026247 k( 64) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0026247 k( 65) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0026247 k( 66) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0026247 k( 67) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0026247 k( 68) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0026247 k( 69) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0026247 k( 70) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0026247 k( 71) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0026247 k( 72) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0026247 k( 73) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0026247 k( 74) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0026247 k( 75) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0026247 k( 76) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0026247 k( 77) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0026247 k( 78) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0026247 k( 79) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0026247 k( 80) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0026247 k( 81) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0026247 k( 82) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0026247 k( 83) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0026247 k( 84) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0026247 k( 85) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0026247 k( 86) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0026247 k( 87) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0026247 k( 88) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026247 k( 89) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026247 k( 90) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0026247 k( 91) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0026247 k( 92) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0026247 k( 93) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0026247 k( 94) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0026247 k( 95) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0026247 k( 96) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0026247 k( 97) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0026247 k( 98) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0026247 k( 99) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0026247 k( 100) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0026247 k( 101) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0026247 k( 102) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0026247 k( 103) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0026247 k( 104) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0026247 k( 105) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0026247 k( 106) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0026247 k( 107) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0026247 k( 108) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0026247 k( 109) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0026247 k( 110) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 112) = ( 0.3688525 0.2129571 0.6023335), wk = 0.0026247 k( 113) = ( 0.3627049 0.2094078 0.5922947), wk = 0.0026247 k( 114) = ( 0.3565574 0.2058585 0.5822558), wk = 0.0026247 k( 115) = ( 0.3504098 0.2023092 0.5722169), wk = 0.0026247 k( 116) = ( 0.3442623 0.1987599 0.5621780), wk = 0.0026247 k( 117) = ( 0.3381148 0.1952106 0.5521391), wk = 0.0026247 k( 118) = ( 0.3319672 0.1916614 0.5421002), wk = 0.0026247 k( 119) = ( 0.3258197 0.1881121 0.5320613), wk = 0.0026247 k( 120) = ( 0.3196721 0.1845628 0.5220224), wk = 0.0026247 k( 121) = ( 0.3135246 0.1810135 0.5119835), wk = 0.0026247 k( 122) = ( 0.3073770 0.1774642 0.5019446), wk = 0.0026247 k( 123) = ( 0.3012295 0.1739149 0.4919057), wk = 0.0026247 k( 124) = ( 0.2950820 0.1703657 0.4818668), wk = 0.0026247 k( 125) = ( 0.2889344 0.1668164 0.4718279), wk = 0.0026247 k( 126) = ( 0.2827869 0.1632671 0.4617890), wk = 0.0026247 k( 127) = ( 0.2766393 0.1597178 0.4517502), wk = 0.0026247 k( 128) = ( 0.2704918 0.1561685 0.4417113), wk = 0.0026247 k( 129) = ( 0.2643443 0.1526192 0.4316724), wk = 0.0026247 k( 130) = ( 0.2581967 0.1490699 0.4216335), wk = 0.0026247 k( 131) = ( 0.2520492 0.1455207 0.4115946), wk = 0.0026247 k( 132) = ( 0.2459016 0.1419714 0.4015557), wk = 0.0026247 k( 133) = ( 0.2397541 0.1384221 0.3915168), wk = 0.0026247 k( 134) = ( 0.2336066 0.1348728 0.3814779), wk = 0.0026247 k( 135) = ( 0.2274590 0.1313235 0.3714390), wk = 0.0026247 k( 136) = ( 0.2213115 0.1277742 0.3614001), wk = 0.0026247 k( 137) = ( 0.2151639 0.1242250 0.3513612), wk = 0.0026247 k( 138) = ( 0.2090164 0.1206757 0.3413223), wk = 0.0026247 k( 139) = ( 0.2028688 0.1171264 0.3312834), wk = 0.0026247 k( 140) = ( 0.1967213 0.1135771 0.3212446), wk = 0.0026247 k( 141) = ( 0.1905738 0.1100278 0.3112057), wk = 0.0026247 k( 142) = ( 0.1844262 0.1064785 0.3011668), wk = 0.0026247 k( 143) = ( 0.1782787 0.1029292 0.2911279), wk = 0.0026247 k( 144) = ( 0.1721312 0.0993800 0.2810890), wk = 0.0026247 k( 145) = ( 0.1659836 0.0958307 0.2710501), wk = 0.0026247 k( 146) = ( 0.1598361 0.0922814 0.2610112), wk = 0.0026247 k( 147) = ( 0.1536885 0.0887321 0.2509723), wk = 0.0026247 k( 148) = ( 0.1475410 0.0851828 0.2409334), wk = 0.0026247 k( 149) = ( 0.1413934 0.0816335 0.2308945), wk = 0.0026247 k( 150) = ( 0.1352459 0.0780843 0.2208556), wk = 0.0026247 k( 151) = ( 0.1290984 0.0745350 0.2108167), wk = 0.0026247 k( 152) = ( 0.1229508 0.0709857 0.2007778), wk = 0.0026247 k( 153) = ( 0.1168033 0.0674364 0.1907390), wk = 0.0026247 k( 154) = ( 0.1106557 0.0638871 0.1807001), wk = 0.0026247 k( 155) = ( 0.1045082 0.0603378 0.1706612), wk = 0.0026247 k( 156) = ( 0.0983607 0.0567886 0.1606223), wk = 0.0026247 k( 157) = ( 0.0922131 0.0532393 0.1505834), wk = 0.0026247 k( 158) = ( 0.0860656 0.0496900 0.1405445), wk = 0.0026247 k( 159) = ( 0.0799180 0.0461407 0.1305056), wk = 0.0026247 k( 160) = ( 0.0737705 0.0425914 0.1204667), wk = 0.0026247 k( 161) = ( 0.0676230 0.0390421 0.1104278), wk = 0.0026247 k( 162) = ( 0.0614754 0.0354928 0.1003889), wk = 0.0026247 k( 163) = ( 0.0553279 0.0319436 0.0903500), wk = 0.0026247 k( 164) = ( 0.0491803 0.0283943 0.0803111), wk = 0.0026247 k( 165) = ( 0.0430328 0.0248450 0.0702722), wk = 0.0026247 k( 166) = ( 0.0368853 0.0212957 0.0602333), wk = 0.0026247 k( 167) = ( 0.0307377 0.0177464 0.0501945), wk = 0.0026247 k( 168) = ( 0.0245902 0.0141971 0.0401556), wk = 0.0026247 k( 169) = ( 0.0184426 0.0106479 0.0301167), wk = 0.0026247 k( 170) = ( 0.0122951 0.0070986 0.0200778), wk = 0.0026247 k( 171) = ( 0.0061475 0.0035493 0.0100389), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0057735 0.0040825), wk = 0.0026247 k( 175) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0026247 k( 176) = ( 0.0300000 0.0173205 0.0122474), wk = 0.0026247 k( 177) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0026247 k( 178) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0026247 k( 179) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0026247 k( 180) = ( 0.0700000 0.0404145 0.0285774), wk = 0.0026247 k( 181) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0026247 k( 182) = ( 0.0900000 0.0519615 0.0367423), wk = 0.0026247 k( 183) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0026247 k( 184) = ( 0.1100000 0.0635085 0.0449073), wk = 0.0026247 k( 185) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0026247 k( 186) = ( 0.1300000 0.0750555 0.0530723), wk = 0.0026247 k( 187) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0026247 k( 188) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0026247 k( 189) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0026247 k( 190) = ( 0.1700000 0.0981495 0.0694022), wk = 0.0026247 k( 191) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0026247 k( 192) = ( 0.1900000 0.1096966 0.0775672), wk = 0.0026247 k( 193) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0026247 k( 194) = ( 0.2100000 0.1212436 0.0857321), wk = 0.0026247 k( 195) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0026247 k( 196) = ( 0.2300000 0.1327906 0.0938971), wk = 0.0026247 k( 197) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0026247 k( 198) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0026247 k( 199) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0026247 k( 200) = ( 0.2700000 0.1558846 0.1102270), wk = 0.0026247 k( 201) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0026247 k( 202) = ( 0.2900000 0.1674316 0.1183920), wk = 0.0026247 k( 203) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0026247 k( 204) = ( 0.3100000 0.1789786 0.1265570), wk = 0.0026247 k( 205) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0026247 k( 206) = ( 0.3300000 0.1905256 0.1347219), wk = 0.0026247 k( 207) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0026247 k( 208) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0026247 k( 209) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0026247 k( 210) = ( 0.3700000 0.2136196 0.1510519), wk = 0.0026247 k( 211) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0026247 k( 212) = ( 0.3900000 0.2251666 0.1592168), wk = 0.0026247 k( 213) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0026247 k( 214) = ( 0.4100000 0.2367136 0.1673818), wk = 0.0026247 k( 215) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0026247 k( 216) = ( 0.4300000 0.2482606 0.1755468), wk = 0.0026247 k( 217) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0026247 k( 218) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0026247 k( 219) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0026247 k( 220) = ( 0.4700000 0.2713546 0.1918767), wk = 0.0026247 k( 221) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0026247 k( 222) = ( 0.4900000 0.2829016 0.2000417), wk = 0.0026247 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 224) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 225) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026247 k( 226) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026247 k( 227) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026247 k( 228) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026247 k( 229) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026247 k( 230) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026247 k( 231) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026247 k( 232) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026247 k( 233) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026247 k( 234) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026247 k( 235) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026247 k( 236) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026247 k( 237) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026247 k( 238) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026247 k( 239) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026247 k( 240) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026247 k( 241) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026247 k( 242) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026247 k( 243) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026247 k( 244) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026247 k( 245) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026247 k( 246) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026247 k( 247) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026247 k( 248) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026247 k( 249) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026247 k( 250) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026247 k( 251) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026247 k( 252) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0026247 k( 253) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026247 k( 254) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026247 k( 255) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026247 k( 256) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026247 k( 257) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026247 k( 258) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026247 k( 259) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 260) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 261) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0026247 k( 262) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0026247 k( 263) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0026247 k( 264) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0026247 k( 265) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0026247 k( 266) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0026247 k( 267) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0026247 k( 268) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0026247 k( 269) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0026247 k( 270) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0026247 k( 271) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0026247 k( 272) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0026247 k( 273) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0026247 k( 274) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0026247 k( 275) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0026247 k( 276) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0026247 k( 277) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0026247 k( 278) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0026247 k( 279) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0026247 k( 280) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0026247 k( 281) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026247 k( 282) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026247 k( 283) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0026247 k( 284) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0026247 k( 285) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0026247 k( 286) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0026247 k( 287) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0026247 k( 288) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0026247 k( 289) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0026247 k( 290) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0026247 k( 291) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0026247 k( 292) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0026247 k( 293) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0026247 k( 294) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0026247 k( 295) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0026247 k( 296) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0026247 k( 297) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0026247 k( 298) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0026247 k( 299) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0026247 k( 300) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0026247 k( 301) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0026247 k( 302) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0026247 k( 303) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0026247 k( 304) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0026247 k( 305) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0026247 k( 306) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0026247 k( 307) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0026247 k( 308) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0026247 k( 309) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0026247 k( 310) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0026247 k( 311) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0026247 k( 312) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0026247 k( 313) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0026247 k( 314) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0026247 k( 315) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0026247 k( 316) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0026247 k( 317) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0026247 k( 318) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0026247 k( 319) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0026247 k( 320) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0026247 k( 321) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0026247 k( 322) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0026247 k( 323) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 324) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026247 k( 325) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026247 k( 326) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026247 k( 327) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026247 k( 328) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026247 k( 329) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026247 k( 330) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026247 k( 331) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026247 k( 332) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026247 k( 333) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026247 k( 334) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026247 k( 335) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026247 k( 336) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026247 k( 337) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026247 k( 338) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026247 k( 339) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026247 k( 340) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026247 k( 341) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026247 k( 342) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026247 k( 343) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026247 k( 344) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026247 k( 345) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026247 k( 346) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026247 k( 347) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026247 k( 348) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026247 k( 349) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026247 k( 350) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026247 k( 351) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026247 k( 352) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026247 k( 353) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026247 k( 354) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026247 k( 355) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026247 k( 356) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026247 k( 357) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026247 k( 358) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026247 k( 359) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026247 k( 360) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026247 k( 361) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0026247 k( 362) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0026247 k( 363) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0026247 k( 364) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0026247 k( 365) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0026247 k( 366) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0026247 k( 367) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0026247 k( 368) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0026247 k( 369) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0026247 k( 370) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0026247 k( 371) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0026247 k( 372) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0026247 k( 373) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0026247 k( 374) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0026247 k( 375) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0026247 k( 376) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0026247 k( 377) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0026247 k( 378) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0026247 k( 379) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0026247 k( 380) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0026247 k( 381) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0087719 0.0000000 0.0087719), wk = 0.0026247 k( 3) = ( 0.0175439 0.0000000 0.0175439), wk = 0.0026247 k( 4) = ( 0.0263158 0.0000000 0.0263158), wk = 0.0026247 k( 5) = ( 0.0350877 0.0000000 0.0350877), wk = 0.0026247 k( 6) = ( 0.0438597 0.0000000 0.0438597), wk = 0.0026247 k( 7) = ( 0.0526316 0.0000000 0.0526316), wk = 0.0026247 k( 8) = ( 0.0614035 0.0000000 0.0614035), wk = 0.0026247 k( 9) = ( 0.0701754 0.0000000 0.0701754), wk = 0.0026247 k( 10) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0026247 k( 11) = ( 0.0877193 0.0000000 0.0877193), wk = 0.0026247 k( 12) = ( 0.0964912 0.0000000 0.0964912), wk = 0.0026247 k( 13) = ( 0.1052632 0.0000000 0.1052632), wk = 0.0026247 k( 14) = ( 0.1140351 0.0000000 0.1140351), wk = 0.0026247 k( 15) = ( 0.1228070 0.0000000 0.1228070), wk = 0.0026247 k( 16) = ( 0.1315790 -0.0000000 0.1315790), wk = 0.0026247 k( 17) = ( 0.1403509 0.0000000 0.1403509), wk = 0.0026247 k( 18) = ( 0.1491228 -0.0000000 0.1491228), wk = 0.0026247 k( 19) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0026247 k( 20) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0026247 k( 21) = ( 0.1754386 0.0000000 0.1754386), wk = 0.0026247 k( 22) = ( 0.1842105 0.0000000 0.1842105), wk = 0.0026247 k( 23) = ( 0.1929825 0.0000000 0.1929825), wk = 0.0026247 k( 24) = ( 0.2017544 0.0000000 0.2017544), wk = 0.0026247 k( 25) = ( 0.2105263 0.0000000 0.2105263), wk = 0.0026247 k( 26) = ( 0.2192983 -0.0000000 0.2192983), wk = 0.0026247 k( 27) = ( 0.2280702 0.0000000 0.2280702), wk = 0.0026247 k( 28) = ( 0.2368421 0.0000000 0.2368421), wk = 0.0026247 k( 29) = ( 0.2456140 0.0000000 0.2456140), wk = 0.0026247 k( 30) = ( 0.2543860 -0.0000000 0.2543860), wk = 0.0026247 k( 31) = ( 0.2631579 -0.0000000 0.2631579), wk = 0.0026247 k( 32) = ( 0.2719298 -0.0000000 0.2719298), wk = 0.0026247 k( 33) = ( 0.2807018 -0.0000000 0.2807018), wk = 0.0026247 k( 34) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0026247 k( 35) = ( 0.2982456 -0.0000000 0.2982456), wk = 0.0026247 k( 36) = ( 0.3070175 0.0000000 0.3070175), wk = 0.0026247 k( 37) = ( 0.3157895 0.0000000 0.3157895), wk = 0.0026247 k( 38) = ( 0.3245614 0.0000000 0.3245614), wk = 0.0026247 k( 39) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0026247 k( 40) = ( 0.3421053 0.0000000 0.3421053), wk = 0.0026247 k( 41) = ( 0.3508772 0.0000000 0.3508772), wk = 0.0026247 k( 42) = ( 0.3596491 -0.0000000 0.3596491), wk = 0.0026247 k( 43) = ( 0.3684211 -0.0000000 0.3684211), wk = 0.0026247 k( 44) = ( 0.3771930 -0.0000000 0.3771930), wk = 0.0026247 k( 45) = ( 0.3859649 0.0000000 0.3859649), wk = 0.0026247 k( 46) = ( 0.3947368 0.0000000 0.3947368), wk = 0.0026247 k( 47) = ( 0.4035088 0.0000000 0.4035088), wk = 0.0026247 k( 48) = ( 0.4122807 0.0000000 0.4122807), wk = 0.0026247 k( 49) = ( 0.4210526 0.0000000 0.4210526), wk = 0.0026247 k( 50) = ( 0.4298246 0.0000000 0.4298246), wk = 0.0026247 k( 51) = ( 0.4385965 0.0000000 0.4385965), wk = 0.0026247 k( 52) = ( 0.4473684 0.0000000 0.4473684), wk = 0.0026247 k( 53) = ( 0.4561404 0.0000000 0.4561404), wk = 0.0026247 k( 54) = ( 0.4649123 0.0000000 0.4649123), wk = 0.0026247 k( 55) = ( 0.4736842 0.0000000 0.4736842), wk = 0.0026247 k( 56) = ( 0.4824561 -0.0000000 0.4824561), wk = 0.0026247 k( 57) = ( 0.4912281 0.0000000 0.4912281), wk = 0.0026247 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 60) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0026247 k( 61) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0026247 k( 62) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0026247 k( 63) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0026247 k( 64) = ( 0.5000000 0.0431035 0.5431035), wk = 0.0026247 k( 65) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0026247 k( 66) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0026247 k( 67) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0026247 k( 68) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0026247 k( 69) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0026247 k( 70) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0026247 k( 71) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0026247 k( 72) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0026247 k( 73) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0026247 k( 74) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0026247 k( 75) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0026247 k( 76) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0026247 k( 77) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0026247 k( 78) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0026247 k( 79) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0026247 k( 80) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0026247 k( 81) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0026247 k( 82) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0026247 k( 83) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0026247 k( 84) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0026247 k( 85) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0026247 k( 86) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0026247 k( 87) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0026247 k( 88) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 90) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0026247 k( 91) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0026247 k( 92) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0026247 k( 93) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0026247 k( 94) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0026247 k( 95) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0026247 k( 96) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0026247 k( 97) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0026247 k( 98) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0026247 k( 99) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0026247 k( 100) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0026247 k( 101) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0026247 k( 102) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0026247 k( 103) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0026247 k( 104) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0026247 k( 105) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0026247 k( 106) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0026247 k( 107) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0026247 k( 108) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0026247 k( 109) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0026247 k( 110) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 112) = ( 0.3688525 0.3688525 0.7377049), wk = 0.0026247 k( 113) = ( 0.3627049 0.3627049 0.7254098), wk = 0.0026247 k( 114) = ( 0.3565574 0.3565574 0.7131147), wk = 0.0026247 k( 115) = ( 0.3504098 0.3504098 0.7008197), wk = 0.0026247 k( 116) = ( 0.3442623 0.3442623 0.6885246), wk = 0.0026247 k( 117) = ( 0.3381148 0.3381148 0.6762295), wk = 0.0026247 k( 118) = ( 0.3319672 0.3319672 0.6639344), wk = 0.0026247 k( 119) = ( 0.3258197 0.3258197 0.6516393), wk = 0.0026247 k( 120) = ( 0.3196721 0.3196721 0.6393443), wk = 0.0026247 k( 121) = ( 0.3135246 0.3135246 0.6270492), wk = 0.0026247 k( 122) = ( 0.3073770 0.3073770 0.6147541), wk = 0.0026247 k( 123) = ( 0.3012295 0.3012295 0.6024590), wk = 0.0026247 k( 124) = ( 0.2950820 0.2950820 0.5901639), wk = 0.0026247 k( 125) = ( 0.2889344 0.2889344 0.5778688), wk = 0.0026247 k( 126) = ( 0.2827869 0.2827869 0.5655738), wk = 0.0026247 k( 127) = ( 0.2766393 0.2766393 0.5532787), wk = 0.0026247 k( 128) = ( 0.2704918 0.2704918 0.5409836), wk = 0.0026247 k( 129) = ( 0.2643443 0.2643443 0.5286885), wk = 0.0026247 k( 130) = ( 0.2581967 0.2581967 0.5163934), wk = 0.0026247 k( 131) = ( 0.2520492 0.2520492 0.5040984), wk = 0.0026247 k( 132) = ( 0.2459016 0.2459016 0.4918033), wk = 0.0026247 k( 133) = ( 0.2397541 0.2397541 0.4795082), wk = 0.0026247 k( 134) = ( 0.2336066 0.2336066 0.4672131), wk = 0.0026247 k( 135) = ( 0.2274590 0.2274590 0.4549180), wk = 0.0026247 k( 136) = ( 0.2213115 0.2213115 0.4426229), wk = 0.0026247 k( 137) = ( 0.2151639 0.2151639 0.4303279), wk = 0.0026247 k( 138) = ( 0.2090164 0.2090164 0.4180328), wk = 0.0026247 k( 139) = ( 0.2028688 0.2028688 0.4057377), wk = 0.0026247 k( 140) = ( 0.1967213 0.1967213 0.3934426), wk = 0.0026247 k( 141) = ( 0.1905738 0.1905738 0.3811475), wk = 0.0026247 k( 142) = ( 0.1844262 0.1844262 0.3688525), wk = 0.0026247 k( 143) = ( 0.1782787 0.1782787 0.3565574), wk = 0.0026247 k( 144) = ( 0.1721312 0.1721311 0.3442623), wk = 0.0026247 k( 145) = ( 0.1659836 0.1659836 0.3319672), wk = 0.0026247 k( 146) = ( 0.1598361 0.1598361 0.3196721), wk = 0.0026247 k( 147) = ( 0.1536885 0.1536885 0.3073770), wk = 0.0026247 k( 148) = ( 0.1475410 0.1475410 0.2950820), wk = 0.0026247 k( 149) = ( 0.1413934 0.1413934 0.2827869), wk = 0.0026247 k( 150) = ( 0.1352459 0.1352459 0.2704918), wk = 0.0026247 k( 151) = ( 0.1290984 0.1290984 0.2581967), wk = 0.0026247 k( 152) = ( 0.1229508 0.1229508 0.2459016), wk = 0.0026247 k( 153) = ( 0.1168033 0.1168033 0.2336066), wk = 0.0026247 k( 154) = ( 0.1106557 0.1106557 0.2213115), wk = 0.0026247 k( 155) = ( 0.1045082 0.1045082 0.2090164), wk = 0.0026247 k( 156) = ( 0.0983607 0.0983607 0.1967213), wk = 0.0026247 k( 157) = ( 0.0922131 0.0922131 0.1844262), wk = 0.0026247 k( 158) = ( 0.0860656 0.0860656 0.1721312), wk = 0.0026247 k( 159) = ( 0.0799180 0.0799180 0.1598361), wk = 0.0026247 k( 160) = ( 0.0737705 0.0737705 0.1475410), wk = 0.0026247 k( 161) = ( 0.0676230 0.0676230 0.1352459), wk = 0.0026247 k( 162) = ( 0.0614754 0.0614754 0.1229508), wk = 0.0026247 k( 163) = ( 0.0553279 0.0553279 0.1106557), wk = 0.0026247 k( 164) = ( 0.0491803 0.0491803 0.0983607), wk = 0.0026247 k( 165) = ( 0.0430328 0.0430328 0.0860656), wk = 0.0026247 k( 166) = ( 0.0368853 0.0368853 0.0737705), wk = 0.0026247 k( 167) = ( 0.0307377 0.0307377 0.0614754), wk = 0.0026247 k( 168) = ( 0.0245902 0.0245902 0.0491803), wk = 0.0026247 k( 169) = ( 0.0184426 0.0184426 0.0368853), wk = 0.0026247 k( 170) = ( 0.0122951 0.0122951 0.0245902), wk = 0.0026247 k( 171) = ( 0.0061475 0.0061475 0.0122951), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 174) = ( 0.0100000 0.0100000 0.0100000), wk = 0.0026247 k( 175) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0026247 k( 176) = ( 0.0300000 0.0300000 0.0300000), wk = 0.0026247 k( 177) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0026247 k( 178) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0026247 k( 179) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0026247 k( 180) = ( 0.0700000 0.0700000 0.0700000), wk = 0.0026247 k( 181) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0026247 k( 182) = ( 0.0900000 0.0900000 0.0900000), wk = 0.0026247 k( 183) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0026247 k( 184) = ( 0.1100000 0.1100000 0.1100000), wk = 0.0026247 k( 185) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0026247 k( 186) = ( 0.1300000 0.1300000 0.1300000), wk = 0.0026247 k( 187) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0026247 k( 188) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0026247 k( 189) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0026247 k( 190) = ( 0.1700000 0.1700000 0.1700000), wk = 0.0026247 k( 191) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0026247 k( 192) = ( 0.1900000 0.1900000 0.1900000), wk = 0.0026247 k( 193) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0026247 k( 194) = ( 0.2100000 0.2100000 0.2100000), wk = 0.0026247 k( 195) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0026247 k( 196) = ( 0.2300000 0.2300000 0.2300000), wk = 0.0026247 k( 197) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0026247 k( 198) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026247 k( 199) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0026247 k( 200) = ( 0.2700000 0.2700000 0.2700000), wk = 0.0026247 k( 201) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0026247 k( 202) = ( 0.2900000 0.2900000 0.2900000), wk = 0.0026247 k( 203) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0026247 k( 204) = ( 0.3100000 0.3100000 0.3100000), wk = 0.0026247 k( 205) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0026247 k( 206) = ( 0.3300000 0.3300000 0.3300000), wk = 0.0026247 k( 207) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0026247 k( 208) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0026247 k( 209) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0026247 k( 210) = ( 0.3700000 0.3700000 0.3700000), wk = 0.0026247 k( 211) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0026247 k( 212) = ( 0.3900000 0.3900000 0.3900000), wk = 0.0026247 k( 213) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0026247 k( 214) = ( 0.4100000 0.4100000 0.4100000), wk = 0.0026247 k( 215) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0026247 k( 216) = ( 0.4300000 0.4300000 0.4300000), wk = 0.0026247 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0026247 k( 218) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0026247 k( 219) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0026247 k( 220) = ( 0.4700000 0.4700000 0.4700000), wk = 0.0026247 k( 221) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0026247 k( 222) = ( 0.4900000 0.4900000 0.4900000), wk = 0.0026247 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 225) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026247 k( 226) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026247 k( 227) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026247 k( 228) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026247 k( 229) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026247 k( 230) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026247 k( 231) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026247 k( 232) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026247 k( 233) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026247 k( 234) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026247 k( 235) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026247 k( 236) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026247 k( 237) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026247 k( 238) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026247 k( 239) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026247 k( 240) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026247 k( 241) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026247 k( 242) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026247 k( 243) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026247 k( 244) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026247 k( 245) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026247 k( 246) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026247 k( 247) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026247 k( 248) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026247 k( 249) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026247 k( 250) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026247 k( 251) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026247 k( 252) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026247 k( 253) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026247 k( 254) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026247 k( 255) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026247 k( 256) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026247 k( 257) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026247 k( 258) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026247 k( 259) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 260) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 261) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0026247 k( 262) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0026247 k( 263) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0026247 k( 264) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0026247 k( 265) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0026247 k( 266) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0026247 k( 267) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0026247 k( 268) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0026247 k( 269) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0026247 k( 270) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0026247 k( 271) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0026247 k( 272) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0026247 k( 273) = ( 0.5476190 0.2500000 0.7023809), wk = 0.0026247 k( 274) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0026247 k( 275) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0026247 k( 276) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0026247 k( 277) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0026247 k( 278) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0026247 k( 279) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0026247 k( 280) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0026247 k( 281) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 282) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026247 k( 283) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0026247 k( 284) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0026247 k( 285) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0026247 k( 286) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0026247 k( 287) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0026247 k( 288) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0026247 k( 289) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0026247 k( 290) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0026247 k( 291) = ( 0.5000000 0.3048781 0.6951219), wk = 0.0026247 k( 292) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0026247 k( 293) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0026247 k( 294) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0026247 k( 295) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0026247 k( 296) = ( 0.5000000 0.3353659 0.6646342), wk = 0.0026247 k( 297) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0026247 k( 298) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0026247 k( 299) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0026247 k( 300) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0026247 k( 301) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0026247 k( 302) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0026247 k( 303) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0026247 k( 304) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0026247 k( 305) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0026247 k( 306) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0026247 k( 307) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0026247 k( 308) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0026247 k( 309) = ( 0.5000000 0.4146341 0.5853658), wk = 0.0026247 k( 310) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0026247 k( 311) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0026247 k( 312) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0026247 k( 313) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0026247 k( 314) = ( 0.5000000 0.4451219 0.5548780), wk = 0.0026247 k( 315) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0026247 k( 316) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0026247 k( 317) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0026247 k( 318) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0026247 k( 319) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0026247 k( 320) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0026247 k( 321) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0026247 k( 322) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0026247 k( 323) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 324) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026247 k( 325) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026247 k( 326) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026247 k( 327) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026247 k( 328) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026247 k( 329) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026247 k( 330) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026247 k( 331) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026247 k( 332) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026247 k( 333) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026247 k( 334) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026247 k( 335) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026247 k( 336) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026247 k( 337) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026247 k( 338) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026247 k( 339) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026247 k( 340) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026247 k( 341) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026247 k( 342) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026247 k( 343) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026247 k( 344) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026247 k( 345) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026247 k( 346) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026247 k( 347) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026247 k( 348) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026247 k( 349) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026247 k( 350) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026247 k( 351) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026247 k( 352) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026247 k( 353) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026247 k( 354) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026247 k( 355) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026247 k( 356) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026247 k( 357) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026247 k( 358) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026247 k( 359) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026247 k( 360) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026247 k( 361) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0026247 k( 362) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0026247 k( 363) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0026247 k( 364) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0026247 k( 365) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0026247 k( 366) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0026247 k( 367) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0026247 k( 368) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0026247 k( 369) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0026247 k( 370) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0026247 k( 371) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0026247 k( 372) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0026247 k( 373) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0026247 k( 374) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0026247 k( 375) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0026247 k( 376) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0026247 k( 377) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0026247 k( 378) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0026247 k( 379) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0026247 k( 380) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0026247 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 Dense grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 12039 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 26) NL pseudopotentials 0.05 Mb ( 46, 68) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 456) G-vector shells 0.00 Mb ( 168) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 92, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./AgCl.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.1 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.5 secs Computing kpt #: 37 total cpu time spent up to now is 5.6 secs Computing kpt #: 38 total cpu time spent up to now is 5.7 secs Computing kpt #: 39 total cpu time spent up to now is 5.8 secs Computing kpt #: 40 total cpu time spent up to now is 5.9 secs Computing kpt #: 41 total cpu time spent up to now is 6.0 secs Computing kpt #: 42 total cpu time spent up to now is 6.1 secs Computing kpt #: 43 total cpu time spent up to now is 6.2 secs Computing kpt #: 44 total cpu time spent up to now is 6.3 secs Computing kpt #: 45 total cpu time spent up to now is 6.4 secs Computing kpt #: 46 total cpu time spent up to now is 6.5 secs Computing kpt #: 47 total cpu time spent up to now is 6.5 secs Computing kpt #: 48 total cpu time spent up to now is 6.6 secs Computing kpt #: 49 total cpu time spent up to now is 6.7 secs Computing kpt #: 50 total cpu time spent up to now is 6.9 secs Computing kpt #: 51 total cpu time spent up to now is 7.0 secs Computing kpt #: 52 total cpu time spent up to now is 7.1 secs Computing kpt #: 53 total cpu time spent up to now is 7.1 secs Computing kpt #: 54 total cpu time spent up to now is 7.2 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.4 secs Computing kpt #: 57 total cpu time spent up to now is 7.5 secs Computing kpt #: 58 total cpu time spent up to now is 7.5 secs Computing kpt #: 59 total cpu time spent up to now is 7.6 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.8 secs Computing kpt #: 62 total cpu time spent up to now is 7.9 secs Computing kpt #: 63 total cpu time spent up to now is 7.9 secs Computing kpt #: 64 total cpu time spent up to now is 8.0 secs Computing kpt #: 65 total cpu time spent up to now is 8.1 secs Computing kpt #: 66 total cpu time spent up to now is 8.2 secs Computing kpt #: 67 total cpu time spent up to now is 8.3 secs Computing kpt #: 68 total cpu time spent up to now is 8.4 secs Computing kpt #: 69 total cpu time spent up to now is 8.4 secs Computing kpt #: 70 total cpu time spent up to now is 8.5 secs Computing kpt #: 71 total cpu time spent up to now is 8.6 secs Computing kpt #: 72 total cpu time spent up to now is 8.7 secs Computing kpt #: 73 total cpu time spent up to now is 8.8 secs Computing kpt #: 74 total cpu time spent up to now is 8.8 secs Computing kpt #: 75 total cpu time spent up to now is 8.9 secs Computing kpt #: 76 total cpu time spent up to now is 9.0 secs Computing kpt #: 77 total cpu time spent up to now is 9.1 secs Computing kpt #: 78 total cpu time spent up to now is 9.1 secs Computing kpt #: 79 total cpu time spent up to now is 9.2 secs Computing kpt #: 80 total cpu time spent up to now is 9.3 secs Computing kpt #: 81 total cpu time spent up to now is 9.4 secs Computing kpt #: 82 total cpu time spent up to now is 9.4 secs Computing kpt #: 83 total cpu time spent up to now is 9.5 secs Computing kpt #: 84 total cpu time spent up to now is 9.6 secs Computing kpt #: 85 total cpu time spent up to now is 9.7 secs Computing kpt #: 86 total cpu time spent up to now is 9.7 secs Computing kpt #: 87 total cpu time spent up to now is 9.8 secs Computing kpt #: 88 total cpu time spent up to now is 9.9 secs Computing kpt #: 89 total cpu time spent up to now is 10.0 secs Computing kpt #: 90 total cpu time spent up to now is 10.0 secs Computing kpt #: 91 total cpu time spent up to now is 10.1 secs Computing kpt #: 92 total cpu time spent up to now is 10.2 secs Computing kpt #: 93 total cpu time spent up to now is 10.3 secs Computing kpt #: 94 total cpu time spent up to now is 10.3 secs Computing kpt #: 95 total cpu time spent up to now is 10.4 secs Computing kpt #: 96 total cpu time spent up to now is 10.5 secs Computing kpt #: 97 total cpu time spent up to now is 10.6 secs Computing kpt #: 98 total cpu time spent up to now is 10.6 secs Computing kpt #: 99 total cpu time spent up to now is 10.7 secs Computing kpt #: 100 total cpu time spent up to now is 10.8 secs Computing kpt #: 101 total cpu time spent up to now is 10.9 secs Computing kpt #: 102 total cpu time spent up to now is 11.0 secs Computing kpt #: 103 total cpu time spent up to now is 11.0 secs Computing kpt #: 104 total cpu time spent up to now is 11.1 secs Computing kpt #: 105 total cpu time spent up to now is 11.2 secs Computing kpt #: 106 total cpu time spent up to now is 11.3 secs Computing kpt #: 107 total cpu time spent up to now is 11.3 secs Computing kpt #: 108 total cpu time spent up to now is 11.4 secs Computing kpt #: 109 total cpu time spent up to now is 11.5 secs Computing kpt #: 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up to now is 12.8 secs Computing kpt #: 126 total cpu time spent up to now is 12.8 secs Computing kpt #: 127 total cpu time spent up to now is 12.9 secs Computing kpt #: 128 total cpu time spent up to now is 13.0 secs Computing kpt #: 129 total cpu time spent up to now is 13.1 secs Computing kpt #: 130 total cpu time spent up to now is 13.1 secs Computing kpt #: 131 total cpu time spent up to now is 13.2 secs Computing kpt #: 132 total cpu time spent up to now is 13.3 secs Computing kpt #: 133 total cpu time spent up to now is 13.4 secs Computing kpt #: 134 total cpu time spent up to now is 13.5 secs Computing kpt #: 135 total cpu time spent up to now is 13.6 secs Computing kpt #: 136 total cpu time spent up to now is 13.6 secs Computing kpt #: 137 total cpu time spent up to now is 13.7 secs Computing kpt #: 138 total cpu time spent up to now is 13.8 secs Computing kpt #: 139 total cpu time spent up to now is 13.9 secs Computing kpt #: 140 total cpu time spent up to now is 14.0 secs Computing kpt #: 141 total cpu time spent up to now is 14.1 secs Computing kpt #: 142 total cpu time spent up to now is 14.1 secs Computing kpt #: 143 total cpu time spent up to now is 14.2 secs Computing kpt #: 144 total cpu time spent up to now is 14.3 secs Computing kpt #: 145 total cpu time spent up to now is 14.4 secs Computing kpt #: 146 total cpu time spent up to now is 14.5 secs Computing kpt #: 147 total cpu time spent up to now is 14.6 secs Computing kpt #: 148 total cpu time spent up to now is 14.6 secs Computing kpt #: 149 total cpu time spent up to now is 14.7 secs Computing kpt #: 150 total cpu time spent up to now is 14.8 secs Computing kpt #: 151 total cpu time spent up to now is 14.9 secs Computing kpt #: 152 total cpu time spent up to now is 15.0 secs Computing kpt #: 153 total cpu time spent up to now is 15.1 secs Computing kpt #: 154 total cpu time spent up to now is 15.2 secs Computing kpt #: 155 total cpu time spent up to now is 15.3 secs Computing kpt #: 156 total cpu time spent up to now is 15.3 secs Computing kpt #: 157 total cpu time spent up to now is 15.4 secs Computing kpt #: 158 total cpu time spent up to now is 15.5 secs Computing kpt #: 159 total cpu time spent up to now is 15.7 secs Computing kpt #: 160 total cpu time spent up to now is 15.8 secs Computing kpt #: 161 total cpu time spent up to now is 15.9 secs Computing kpt #: 162 total cpu time spent up to now is 16.0 secs Computing kpt #: 163 total cpu time spent up to now is 16.1 secs Computing kpt #: 164 total cpu time spent up to now is 16.2 secs Computing kpt #: 165 total cpu time spent up to now is 16.3 secs Computing kpt #: 166 total cpu time spent up to now is 16.4 secs Computing kpt #: 167 total cpu time spent up to now is 16.5 secs Computing kpt #: 168 total cpu time spent up to now is 16.6 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 17.0 secs Computing kpt #: 174 total cpu time spent up to now is 17.1 secs Computing kpt #: 175 total cpu time spent up to now is 17.2 secs Computing kpt #: 176 total cpu time spent up to now is 17.3 secs Computing kpt #: 177 total cpu time spent up to now is 17.4 secs Computing kpt #: 178 total cpu time spent up to now is 17.5 secs Computing kpt #: 179 total cpu time spent up to now is 17.5 secs Computing kpt #: 180 total cpu time spent up to now is 17.6 secs Computing kpt #: 181 total cpu time spent up to now is 17.7 secs Computing kpt #: 182 total cpu time spent up to now is 17.8 secs Computing kpt #: 183 total cpu time spent up to now is 17.9 secs Computing kpt #: 184 total cpu time spent up to now is 18.0 secs Computing kpt #: 185 total cpu time spent up to now is 18.1 secs Computing kpt #: 186 total cpu time spent up to now is 18.2 secs Computing kpt #: 187 total cpu time spent up to now is 18.3 secs Computing kpt #: 188 total cpu time spent up to now is 18.4 secs Computing kpt #: 189 total cpu time spent up to now is 18.5 secs Computing kpt #: 190 total cpu time spent up to now is 18.5 secs Computing kpt #: 191 total cpu time spent up to now is 18.6 secs Computing kpt #: 192 total cpu time spent up to now is 18.7 secs Computing kpt #: 193 total cpu time spent up to now is 18.8 secs Computing kpt #: 194 total cpu time spent up to now is 18.9 secs Computing kpt #: 195 total cpu time spent up to now is 19.0 secs Computing kpt #: 196 total cpu time spent up to now is 19.1 secs Computing kpt #: 197 total cpu time spent up to now is 19.2 secs Computing kpt #: 198 total cpu time spent up to now is 19.2 secs Computing kpt #: 199 total cpu time spent up to now is 19.3 secs Computing kpt #: 200 total cpu time spent up to now is 19.4 secs Computing kpt #: 201 total cpu time spent up to now is 19.5 secs Computing kpt #: 202 total cpu time spent up to now is 19.6 secs Computing kpt #: 203 total cpu time spent up to now is 19.6 secs Computing kpt #: 204 total cpu time spent up to now is 19.7 secs Computing kpt #: 205 total cpu time spent up to now is 19.8 secs Computing kpt #: 206 total cpu time spent up to now is 19.9 secs Computing kpt #: 207 total cpu time spent up to now is 20.0 secs Computing kpt #: 208 total cpu time spent up to now is 20.1 secs Computing kpt #: 209 total cpu time spent up to now is 20.1 secs Computing kpt #: 210 total cpu time spent up to now is 20.2 secs Computing kpt #: 211 total cpu time spent up to now is 20.3 secs Computing kpt #: 212 total cpu time spent up to now is 20.4 secs Computing kpt #: 213 total cpu time spent up to now is 20.5 secs Computing kpt #: 214 total cpu time spent up to now is 20.5 secs Computing kpt #: 215 total cpu time spent up to now is 20.6 secs Computing kpt #: 216 total cpu time spent up to now is 20.7 secs Computing kpt #: 217 total cpu time spent up to now is 20.8 secs Computing kpt #: 218 total cpu time spent up to now is 20.8 secs Computing kpt #: 219 total cpu time spent up to now is 20.9 secs Computing kpt #: 220 total cpu time spent up to now is 21.0 secs Computing kpt #: 221 total cpu time spent up to now is 21.1 secs Computing kpt #: 222 total cpu time spent up to now is 21.1 secs Computing kpt #: 223 total cpu time spent up to now is 21.2 secs Computing kpt #: 224 total cpu time spent up to now is 21.3 secs Computing kpt #: 225 total cpu time spent up to now is 21.4 secs Computing kpt #: 226 total cpu time spent up to now is 21.4 secs Computing kpt #: 227 total cpu time spent up to now is 21.5 secs Computing kpt #: 228 total cpu time spent up to now is 21.6 secs Computing kpt #: 229 total cpu time spent up to now is 21.7 secs Computing kpt #: 230 total cpu time spent up to now is 21.7 secs Computing kpt #: 231 total cpu time spent up to now is 21.8 secs Computing kpt #: 232 total cpu time spent up to now is 21.9 secs Computing kpt #: 233 total cpu time spent up to now is 22.0 secs Computing kpt #: 234 total cpu time spent up to now is 22.1 secs Computing kpt #: 235 total cpu time spent up to now is 22.2 secs Computing kpt #: 236 total cpu time spent up to now is 22.2 secs Computing kpt #: 237 total cpu time spent up to now is 22.3 secs Computing kpt #: 238 total cpu time spent up to now is 22.4 secs Computing kpt #: 239 total cpu time spent up to now is 22.5 secs Computing kpt #: 240 total cpu time spent up to now is 22.6 secs Computing kpt #: 241 total cpu time spent up to now is 22.7 secs Computing kpt #: 242 total cpu time spent up to now is 22.7 secs Computing kpt #: 243 total cpu time spent up to now is 22.8 secs Computing kpt #: 244 total cpu time spent up to now is 22.9 secs Computing kpt #: 245 total cpu time spent up to now is 23.0 secs Computing kpt #: 246 total cpu time spent up to now is 23.1 secs Computing kpt #: 247 total cpu time spent up to now is 23.2 secs Computing kpt #: 248 total cpu time spent up to now is 23.2 secs Computing kpt #: 249 total cpu time spent up to now is 23.3 secs Computing kpt #: 250 total cpu time spent up to now is 23.4 secs Computing kpt #: 251 total cpu time spent up to now is 23.5 secs Computing kpt #: 252 total cpu time spent up to now is 23.6 secs Computing kpt #: 253 total cpu time spent up to now is 23.6 secs Computing kpt #: 254 total cpu time spent up to now is 23.7 secs Computing kpt #: 255 total cpu time spent up to now is 23.8 secs Computing kpt #: 256 total cpu time spent up to now is 23.9 secs Computing kpt #: 257 total cpu time spent up to now is 24.0 secs Computing kpt #: 258 total cpu time spent up to now is 24.1 secs Computing kpt #: 259 total cpu time spent up to now is 24.1 secs Computing kpt #: 260 total cpu time spent up to now is 24.2 secs Computing kpt #: 261 total cpu time spent up to now is 24.3 secs Computing kpt #: 262 total cpu time spent up to now is 24.4 secs Computing kpt #: 263 total cpu time spent up to now is 24.5 secs Computing kpt #: 264 total cpu time spent up to now is 24.5 secs Computing kpt #: 265 total cpu time spent up to now is 24.6 secs Computing kpt #: 266 total cpu time spent up to now is 24.7 secs Computing kpt #: 267 total cpu time spent up to now is 24.8 secs Computing kpt #: 268 total cpu time spent up to now is 24.8 secs Computing kpt #: 269 total cpu time spent up to now is 24.9 secs Computing kpt #: 270 total cpu time spent up to now is 25.0 secs Computing kpt #: 271 total cpu time spent up to now is 25.1 secs Computing kpt #: 272 total cpu time spent up to now is 25.2 secs Computing kpt #: 273 total cpu time spent up to now is 25.2 secs Computing kpt #: 274 total cpu time spent up to now is 25.3 secs Computing kpt #: 275 total cpu time spent up to now is 25.4 secs Computing kpt #: 276 total cpu time spent up to now is 25.5 secs Computing kpt #: 277 total cpu time spent up to now is 25.5 secs Computing kpt #: 278 total cpu time spent up to now is 25.6 secs Computing kpt #: 279 total cpu time spent up to now is 25.7 secs Computing kpt #: 280 total cpu time spent up to now is 25.8 secs Computing kpt #: 281 total cpu time spent up to now is 25.8 secs Computing kpt #: 282 total cpu time spent up to now is 25.9 secs Computing kpt #: 283 total cpu time spent up to now is 26.0 secs Computing kpt #: 284 total cpu time spent up to now is 26.1 secs Computing kpt #: 285 total cpu time spent up to now is 26.1 secs Computing kpt #: 286 total cpu time spent up to now is 26.2 secs Computing kpt #: 287 total cpu time spent up to now is 26.3 secs Computing kpt #: 288 total cpu time spent up to now is 26.4 secs Computing kpt #: 289 total cpu time spent up to now is 26.4 secs Computing kpt #: 290 total cpu time spent up to now is 26.5 secs Computing kpt #: 291 total cpu time spent up to now is 26.6 secs Computing kpt #: 292 total cpu time spent up to now is 26.7 secs Computing kpt #: 293 total cpu time spent up to now is 26.8 secs Computing kpt #: 294 total cpu time spent up to now is 26.8 secs Computing kpt #: 295 total cpu time spent up to now is 26.9 secs Computing kpt #: 296 total cpu time spent up to now is 27.0 secs Computing kpt #: 297 total cpu time spent up to now is 27.1 secs Computing kpt #: 298 total cpu time spent up to now is 27.2 secs Computing kpt #: 299 total cpu time spent up to now is 27.2 secs Computing kpt #: 300 total cpu time spent up to now is 27.3 secs Computing kpt #: 301 total cpu time spent up to now is 27.4 secs Computing kpt #: 302 total cpu time spent up to now is 27.5 secs Computing kpt #: 303 total cpu time spent up to now is 27.6 secs Computing kpt #: 304 total cpu time spent up to now is 27.6 secs Computing kpt #: 305 total cpu time spent up to now is 27.7 secs Computing kpt #: 306 total cpu time spent up to now is 27.8 secs Computing kpt #: 307 total cpu time spent up to now is 27.9 secs Computing kpt #: 308 total cpu time spent up to now is 28.0 secs Computing kpt #: 309 total cpu time spent up to now is 28.1 secs Computing kpt #: 310 total cpu time spent up to now is 28.2 secs Computing kpt #: 311 total cpu time spent up to now is 28.2 secs Computing kpt #: 312 total cpu time spent up to now is 28.3 secs Computing kpt #: 313 total cpu time spent up to now is 28.4 secs Computing kpt #: 314 total cpu time spent up to now is 28.5 secs Computing kpt #: 315 total cpu time spent up to now is 28.6 secs Computing kpt #: 316 total cpu time spent up to now is 28.6 secs Computing kpt #: 317 total cpu time spent up to now is 28.7 secs Computing kpt #: 318 total cpu time spent up to now is 28.8 secs Computing kpt #: 319 total cpu time spent up to now is 28.9 secs Computing kpt #: 320 total cpu time spent up to now is 29.0 secs Computing kpt #: 321 total cpu time spent up to now is 29.0 secs Computing kpt #: 322 total cpu time spent up to now is 29.1 secs Computing kpt #: 323 total cpu time spent up to now is 29.2 secs Computing kpt #: 324 total cpu time spent up to now is 29.2 secs Computing kpt #: 325 total cpu time spent up to now is 29.3 secs Computing kpt #: 326 total cpu time spent up to now is 29.4 secs Computing kpt #: 327 total cpu time spent up to now is 29.5 secs Computing kpt #: 328 total cpu time spent up to now is 29.5 secs Computing kpt #: 329 total cpu time spent up to now is 29.6 secs Computing kpt #: 330 total cpu time spent up to now is 29.7 secs Computing kpt #: 331 total cpu time spent up to now is 29.8 secs Computing kpt #: 332 total cpu time spent up to now is 29.9 secs Computing kpt #: 333 total cpu time spent up to now is 29.9 secs Computing kpt #: 334 total cpu time spent up to now is 30.0 secs Computing kpt #: 335 total cpu time spent up to now is 30.1 secs Computing kpt #: 336 total cpu time spent up to now is 30.2 secs Computing kpt #: 337 total cpu time spent up to now is 30.3 secs Computing kpt #: 338 total cpu time spent up to now is 30.4 secs Computing kpt #: 339 total cpu time spent up to now is 30.5 secs Computing kpt #: 340 total cpu time spent up to now is 30.5 secs Computing kpt #: 341 total cpu time spent up to now is 30.6 secs Computing kpt #: 342 total cpu time spent up to now is 30.7 secs Computing kpt #: 343 total cpu time spent up to now is 30.8 secs Computing kpt #: 344 total cpu time spent up to now is 30.9 secs Computing kpt #: 345 total cpu time spent up to now is 31.0 secs Computing kpt #: 346 total cpu time spent up to now is 31.0 secs Computing kpt #: 347 total cpu time spent up to now is 31.1 secs Computing kpt #: 348 total cpu time spent up to now is 31.2 secs Computing kpt #: 349 total cpu time spent up to now is 31.3 secs Computing kpt #: 350 total cpu time spent up to now is 31.4 secs Computing kpt #: 351 total cpu time spent up to now is 31.4 secs Computing kpt #: 352 total cpu time spent up to now is 31.5 secs Computing kpt #: 353 total cpu time spent up to now is 31.6 secs Computing kpt #: 354 total cpu time spent up to now is 31.7 secs Computing kpt #: 355 total cpu time spent up to now is 31.8 secs Computing kpt #: 356 total cpu time spent up to now is 31.9 secs Computing kpt #: 357 total cpu time spent up to now is 31.9 secs Computing kpt #: 358 total cpu time spent up to now is 32.0 secs Computing kpt #: 359 total cpu time spent up to now is 32.1 secs Computing kpt #: 360 total cpu time spent up to now is 32.2 secs Computing kpt #: 361 total cpu time spent up to now is 32.3 secs Computing kpt #: 362 total cpu time spent up to now is 32.3 secs Computing kpt #: 363 total cpu time spent up to now is 32.4 secs Computing kpt #: 364 total cpu time spent up to now is 32.5 secs Computing kpt #: 365 total cpu time spent up to now is 32.6 secs Computing kpt #: 366 total cpu time spent up to now is 32.7 secs Computing kpt #: 367 total cpu time spent up to now is 32.7 secs Computing kpt #: 368 total cpu time spent up to now is 32.8 secs Computing kpt #: 369 total cpu time spent up to now is 32.9 secs Computing kpt #: 370 total cpu time spent up to now is 33.0 secs Computing kpt #: 371 total cpu time spent up to now is 33.1 secs Computing kpt #: 372 total cpu time spent up to now is 33.2 secs Computing kpt #: 373 total cpu time spent up to now is 33.3 secs Computing kpt #: 374 total cpu time spent up to now is 33.3 secs Computing kpt #: 375 total cpu time spent up to now is 33.4 secs Computing kpt #: 376 total cpu time spent up to now is 33.5 secs Computing kpt #: 377 total cpu time spent up to now is 33.6 secs Computing kpt #: 378 total cpu time spent up to now is 33.7 secs Computing kpt #: 379 total cpu time spent up to now is 33.8 secs Computing kpt #: 380 total cpu time spent up to now is 33.9 secs Computing kpt #: 381 total cpu time spent up to now is 33.9 secs ethr = 5.56E-08, avg # of iterations = 12.7 total cpu time spent up to now is 33.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.8364 -8.8364 3.5971 3.5971 3.5971 3.5971 3.9032 3.9032 4.0499 4.0499 4.0499 4.0499 4.1111 4.1111 4.1369 4.1369 4.1369 4.1369 7.2130 7.2130 16.9897 16.9897 16.9897 16.9897 17.0634 17.0634 k = 0.0088-0.0051 0.0072 ( 1463 PWs) bands (ev): -8.8360 -8.8360 3.5902 3.5902 3.5966 3.5966 3.8888 3.8888 4.0381 4.0381 4.0385 4.0385 4.1208 4.1208 4.1393 4.1393 4.1666 4.1666 7.2186 7.2186 16.9826 16.9826 16.9854 16.9854 17.0583 17.0583 k = 0.0175-0.0101 0.0143 ( 1463 PWs) bands (ev): -8.8348 -8.8348 3.5696 3.5696 3.5953 3.5953 3.8505 3.8505 4.0146 4.0146 4.0314 4.0314 4.1298 4.1298 4.1550 4.1550 4.2242 4.2242 7.2356 7.2356 16.9609 16.9609 16.9729 16.9729 17.0441 17.0441 k = 0.0263-0.0152 0.0215 ( 1463 PWs) bands (ev): -8.8327 -8.8327 3.5348 3.5348 3.5930 3.5930 3.8018 3.8018 3.9884 3.9884 4.0370 4.0370 4.1313 4.1313 4.1817 4.1817 4.2882 4.2882 7.2637 7.2637 16.9241 16.9241 16.9527 16.9527 17.0237 17.0237 k = 0.0351-0.0203 0.0286 ( 1463 PWs) bands (ev): -8.8299 -8.8299 3.4859 3.4859 3.5898 3.5898 3.7534 3.7534 3.9619 3.9619 4.0504 4.0504 4.1315 4.1315 4.2108 4.2108 4.3529 4.3529 7.3027 7.3027 16.8733 16.8733 16.9255 16.9255 16.9989 16.9989 k = 0.0439-0.0253 0.0358 ( 1463 PWs) bands (ev): -8.8262 -8.8262 3.4243 3.4243 3.5856 3.5856 3.7098 3.7098 3.9358 3.9358 4.0684 4.0684 4.1313 4.1313 4.2406 4.2406 4.4159 4.4159 7.3523 7.3523 16.8113 16.8113 16.8922 16.8922 16.9705 16.9705 k = 0.0526-0.0304 0.0430 ( 1463 PWs) bands (ev): -8.8218 -8.8218 3.3529 3.3529 3.5803 3.5803 3.6712 3.6712 3.9107 3.9107 4.0889 4.0889 4.1310 4.1310 4.2706 4.2706 4.4762 4.4762 7.4122 7.4122 16.7407 16.7407 16.8538 16.8538 16.9389 16.9389 k = 0.0614-0.0355 0.0501 ( 1463 PWs) bands (ev): -8.8166 -8.8166 3.2748 3.2748 3.5738 3.5738 3.6365 3.6365 3.8866 3.8866 4.1110 4.1110 4.1306 4.1306 4.3006 4.3006 4.5333 4.5333 7.4817 7.4817 16.6641 16.6641 16.8112 16.8112 16.9047 16.9047 k = 0.0702-0.0405 0.0573 ( 1471 PWs) bands (ev): -8.8107 -8.8107 3.1926 3.1926 3.5662 3.5662 3.6046 3.6046 3.8639 3.8639 4.1302 4.1302 4.1339 4.1339 4.3302 4.3302 4.5866 4.5866 7.5603 7.5603 16.5833 16.5833 16.7652 16.7652 16.8685 16.8685 k = 0.0789-0.0456 0.0645 ( 1471 PWs) bands (ev): -8.8041 -8.8041 3.1083 3.1083 3.5573 3.5573 3.5746 3.5746 3.8427 3.8427 4.1297 4.1297 4.1571 4.1571 4.3595 4.3595 4.6366 4.6366 7.6473 7.6473 16.4999 16.4999 16.7157 16.7157 16.8309 16.8309 k = 0.0877-0.0506 0.0716 ( 1483 PWs) bands (ev): -8.7967 -8.7967 3.0231 3.0231 3.5460 3.5460 3.5471 3.5471 3.8230 3.8230 4.1292 4.1292 4.1803 4.1803 4.3881 4.3881 4.6829 4.6829 7.7421 7.7421 16.4149 16.4149 16.6620 16.6620 16.7928 16.7928 k = 0.0965-0.0557 0.0788 ( 1483 PWs) bands (ev): -8.7887 -8.7887 2.9379 2.9379 3.5186 3.5186 3.5358 3.5358 3.8050 3.8050 4.1287 4.1287 4.2032 4.2032 4.4160 4.4160 4.7257 4.7257 7.8439 7.8439 16.3292 16.3292 16.5994 16.5994 16.7546 16.7546 k = 0.1053-0.0608 0.0859 ( 1487 PWs) bands (ev): -8.7801 -8.7801 2.8534 2.8534 3.4922 3.4922 3.5234 3.5234 3.7885 3.7885 4.1282 4.1282 4.2256 4.2256 4.4432 4.4432 4.7652 4.7652 7.9519 7.9519 16.2435 16.2435 16.5122 16.5122 16.7171 16.7171 k = 0.1140-0.0658 0.0931 ( 1491 PWs) bands (ev): -8.7709 -8.7709 2.7703 2.7703 3.4668 3.4668 3.5098 3.5098 3.7734 3.7734 4.1277 4.1277 4.2473 4.2473 4.4695 4.4695 4.8017 4.8017 8.0651 8.0651 16.1583 16.1583 16.3676 16.3676 16.6541 16.6541 k = 0.1228-0.0709 0.1003 ( 1491 PWs) bands (ev): -8.7611 -8.7611 2.6889 2.6889 3.4423 3.4423 3.4956 3.4956 3.7598 3.7598 4.1274 4.1274 4.2681 4.2681 4.4948 4.4948 4.8351 4.8351 8.1829 8.1829 16.0740 16.0740 16.1702 16.1702 16.5745 16.5745 k = 0.1316-0.0760 0.1074 ( 1499 PWs) bands (ev): -8.7508 -8.7508 2.6095 2.6095 3.4187 3.4187 3.4806 3.4806 3.7474 3.7474 4.1270 4.1270 4.2879 4.2879 4.5190 4.5190 4.8658 4.8658 8.3042 8.3042 15.9540 15.9540 15.9908 15.9908 16.5202 16.5202 k = 0.1404-0.0810 0.1146 ( 1499 PWs) bands (ev): -8.7401 -8.7401 2.5326 2.5326 3.3960 3.3960 3.4653 3.4653 3.7360 3.7360 4.1269 4.1269 4.3066 4.3066 4.5421 4.5421 4.8939 4.8939 8.4282 8.4282 15.7345 15.7345 15.9090 15.9090 16.4768 16.4768 k = 0.1491-0.0861 0.1218 ( 1499 PWs) bands (ev): -8.7288 -8.7288 2.4583 2.4583 3.3744 3.3744 3.4497 3.4497 3.7256 3.7256 4.1268 4.1268 4.3241 4.3241 4.5639 4.5639 4.9196 4.9196 8.5539 8.5539 15.5169 15.5169 15.8289 15.8289 16.4401 16.4401 k = 0.1579-0.0912 0.1289 ( 1507 PWs) bands (ev): -8.7172 -8.7172 2.3869 2.3869 3.3536 3.3536 3.4340 3.4340 3.7157 3.7157 4.1268 4.1268 4.3404 4.3404 4.5845 4.5845 4.9431 4.9431 8.6804 8.6804 15.3038 15.3038 15.7504 15.7504 16.4085 16.4085 k = 0.1667-0.0962 0.1361 ( 1507 PWs) bands (ev): -8.7053 -8.7053 2.3185 2.3185 3.3339 3.3339 3.4186 3.4186 3.7065 3.7065 4.1270 4.1270 4.3553 4.3553 4.6037 4.6037 4.9645 4.9645 8.8065 8.8065 15.0966 15.0966 15.6739 15.6739 16.3816 16.3816 k = 0.1754-0.1013 0.1432 ( 1499 PWs) bands (ev): -8.6930 -8.6930 2.2534 2.2534 3.3152 3.3152 3.4034 3.4034 3.6978 3.6978 4.1273 4.1273 4.3688 4.3688 4.6216 4.6216 4.9839 4.9839 8.9311 8.9311 14.8966 14.8966 15.5992 15.5992 16.3592 16.3592 k = 0.1842-0.1064 0.1504 ( 1499 PWs) bands (ev): -8.6805 -8.6805 2.1917 2.1917 3.2975 3.2975 3.3887 3.3887 3.6894 3.6894 4.1278 4.1278 4.3808 4.3808 4.6379 4.6379 5.0013 5.0013 9.0532 9.0532 14.7051 14.7051 15.5266 15.5266 16.3414 16.3414 k = 0.1930-0.1114 0.1576 ( 1499 PWs) bands (ev): -8.6678 -8.6678 2.1334 2.1334 3.2809 3.2809 3.3746 3.3746 3.6812 3.6812 4.1284 4.1284 4.3913 4.3913 4.6527 4.6527 5.0169 5.0169 9.1712 9.1712 14.5232 14.5232 15.4561 15.4561 16.3280 16.3280 k = 0.2018-0.1165 0.1647 ( 1491 PWs) bands (ev): -8.6549 -8.6549 2.0789 2.0789 3.2653 3.2653 3.3611 3.3611 3.6732 3.6732 4.1292 4.1292 4.4003 4.4003 4.6660 4.6660 5.0307 5.0307 9.2839 9.2839 14.3523 14.3523 15.3876 15.3876 16.3192 16.3192 k = 0.2105-0.1215 0.1719 ( 1495 PWs) bands (ev): -8.6420 -8.6420 2.0280 2.0280 3.2508 3.2508 3.3482 3.3482 3.6653 3.6653 4.1301 4.1301 4.4076 4.4076 4.6777 4.6777 5.0427 5.0427 9.3897 9.3897 14.1938 14.1938 15.3212 15.3212 16.3150 16.3150 k = 0.2193-0.1266 0.1791 ( 1495 PWs) bands (ev): -8.6289 -8.6289 1.9809 1.9809 3.2374 3.2374 3.3362 3.3362 3.6575 3.6575 4.1312 4.1312 4.4133 4.4133 4.6878 4.6878 5.0528 5.0528 9.4870 9.4870 14.0491 14.0491 15.2570 15.2570 16.3153 16.3153 k = 0.2281-0.1317 0.1862 ( 1495 PWs) bands (ev): -8.6159 -8.6159 1.9377 1.9377 3.2251 3.2251 3.3250 3.3250 3.6497 3.6497 4.1325 4.1325 4.4175 4.4175 4.6964 4.6964 5.0612 5.0612 9.5740 9.5740 13.9198 13.9198 15.1950 15.1950 16.3203 16.3203 k = 0.2368-0.1367 0.1934 ( 1495 PWs) bands (ev): -8.6029 -8.6029 1.8984 1.8984 3.2138 3.2138 3.3147 3.3147 3.6420 3.6420 4.1338 4.1338 4.4200 4.4200 4.7035 4.7035 5.0677 5.0677 9.6491 9.6491 13.8075 13.8075 15.1351 15.1351 16.3299 16.3299 k = 0.2456-0.1418 0.2005 ( 1491 PWs) bands (ev): -8.5899 -8.5899 1.8630 1.8630 3.2037 3.2037 3.3053 3.3053 3.6343 3.6343 4.1353 4.1353 4.4209 4.4209 4.7090 4.7090 5.0723 5.0723 9.7107 9.7107 13.7136 13.7136 15.0774 15.0774 16.3440 16.3440 k = 0.2544-0.1469 0.2077 ( 1491 PWs) bands (ev): -8.5771 -8.5771 1.8316 1.8316 3.1946 3.1946 3.2968 3.2968 3.6265 3.6265 4.1369 4.1369 4.4202 4.4202 4.7130 4.7130 5.0751 5.0751 9.7574 9.7574 13.6392 13.6392 15.0218 15.0218 16.3628 16.3628 k = 0.2632-0.1519 0.2149 ( 1499 PWs) bands (ev): -8.5644 -8.5644 1.8041 1.8041 3.1865 3.1865 3.2892 3.2892 3.6188 3.6188 4.1386 4.1386 4.4179 4.4179 4.7155 4.7155 5.0759 5.0759 9.7885 9.7885 13.5852 13.5852 14.9684 14.9684 16.3859 16.3859 k = 0.2719-0.1570 0.2220 ( 1507 PWs) bands (ev): -8.5520 -8.5520 1.7806 1.7806 3.1795 3.1795 3.2826 3.2826 3.6110 3.6110 4.1403 4.1403 4.4140 4.4140 4.7166 4.7166 5.0747 5.0747 9.8034 9.8034 13.5519 13.5519 14.9171 14.9171 16.4135 16.4135 k = 0.2807-0.1621 0.2292 ( 1515 PWs) bands (ev): -8.5398 -8.5398 1.7609 1.7609 3.1736 3.1736 3.2769 3.2769 3.6032 3.6032 4.1419 4.1419 4.4087 4.4087 4.7164 4.7164 5.0715 5.0715 9.8024 9.8024 13.5387 13.5387 14.8680 14.8680 16.4454 16.4454 k = 0.2895-0.1671 0.2364 ( 1515 PWs) bands (ev): -8.5278 -8.5278 1.7451 1.7451 3.1686 3.1686 3.2721 3.2721 3.5955 3.5955 4.1438 4.1438 4.4019 4.4019 4.7149 4.7149 5.0663 5.0663 9.7864 9.7864 13.5448 13.5448 14.8210 14.8210 16.4814 16.4814 k = 0.2982-0.1722 0.2435 ( 1511 PWs) bands (ev): -8.5162 -8.5162 1.7331 1.7331 3.1647 3.1647 3.2683 3.2683 3.5879 3.5879 4.1457 4.1457 4.3938 4.3938 4.7122 4.7122 5.0591 5.0591 9.7568 9.7568 13.5684 13.5684 14.7760 14.7760 16.5215 16.5215 k = 0.3070-0.1773 0.2507 ( 1511 PWs) bands (ev): -8.5049 -8.5049 1.7248 1.7248 3.1616 3.1616 3.2653 3.2653 3.5803 3.5803 4.1476 4.1476 4.3842 4.3842 4.7084 4.7084 5.0498 5.0498 9.7154 9.7154 13.6077 13.6077 14.7332 14.7332 16.5653 16.5653 k = 0.3158-0.1823 0.2578 ( 1519 PWs) bands (ev): -8.4940 -8.4940 1.7200 1.7200 3.1595 3.1595 3.2632 3.2632 3.5727 3.5727 4.1495 4.1495 4.3733 4.3733 4.7034 4.7034 5.0383 5.0383 9.6642 9.6642 13.6603 13.6603 14.6924 14.6924 16.6128 16.6128 k = 0.3246-0.1874 0.2650 ( 1527 PWs) bands (ev): -8.4835 -8.4835 1.7188 1.7188 3.1582 3.1582 3.2618 3.2618 3.5652 3.5652 4.1514 4.1514 4.3612 4.3612 4.6976 4.6976 5.0248 5.0248 9.6054 9.6054 13.7240 13.7240 14.6536 14.6536 16.6637 16.6637 k = 0.3333-0.1925 0.2722 ( 1527 PWs) bands (ev): -8.4734 -8.4734 1.7208 1.7208 3.1577 3.1577 3.2613 3.2613 3.5578 3.5578 4.1532 4.1532 4.3480 4.3480 4.6910 4.6910 5.0094 5.0094 9.5409 9.5409 13.7966 13.7966 14.6169 14.6169 16.7178 16.7178 k = 0.3421-0.1975 0.2793 ( 1527 PWs) bands (ev): -8.4638 -8.4638 1.7259 1.7259 3.1580 3.1580 3.2615 3.2615 3.5506 3.5506 4.1550 4.1550 4.3337 4.3337 4.6838 4.6838 4.9921 4.9921 9.4727 9.4727 13.8758 13.8758 14.5823 14.5823 16.7746 16.7746 k = 0.3509-0.2026 0.2865 ( 1520 PWs) bands (ev): -8.4546 -8.4546 1.7340 1.7340 3.1591 3.1591 3.2625 3.2625 3.5435 3.5435 4.1567 4.1567 4.3185 4.3185 4.6760 4.6760 4.9731 4.9731 9.4024 9.4024 13.9597 13.9597 14.5496 14.5496 16.8341 16.8341 k = 0.3596-0.2076 0.2937 ( 1524 PWs) bands (ev): -8.4459 -8.4459 1.7447 1.7447 3.1608 3.1608 3.2640 3.2640 3.5364 3.5364 4.1582 4.1582 4.3023 4.3023 4.6677 4.6677 4.9524 4.9524 9.3316 9.3316 14.0466 14.0466 14.5188 14.5188 16.8956 16.8956 k = 0.3684-0.2127 0.3008 ( 1524 PWs) bands (ev): -8.4377 -8.4377 1.7579 1.7579 3.1630 3.1630 3.2662 3.2662 3.5296 3.5296 4.1597 4.1597 4.2854 4.2854 4.6591 4.6591 4.9304 4.9304 9.2613 9.2613 14.1348 14.1348 14.4901 14.4901 16.9589 16.9589 k = 0.3772-0.2178 0.3080 ( 1524 PWs) bands (ev): -8.4300 -8.4300 1.7731 1.7731 3.1657 3.1657 3.2688 3.2688 3.5230 3.5230 4.1611 4.1611 4.2679 4.2679 4.6503 4.6503 4.9073 4.9073 9.1928 9.1928 14.2230 14.2230 14.4633 14.4633 17.0235 17.0235 k = 0.3860-0.2228 0.3151 ( 1524 PWs) bands (ev): -8.4227 -8.4227 1.7902 1.7902 3.1689 3.1689 3.2719 3.2719 3.5166 3.5166 4.1623 4.1623 4.2498 4.2498 4.6415 4.6415 4.8834 4.8834 9.1268 9.1268 14.3099 14.3099 14.4384 14.4384 17.0889 17.0889 k = 0.3947-0.2279 0.3223 ( 1524 PWs) bands (ev): -8.4161 -8.4161 1.8087 1.8087 3.1724 3.1724 3.2753 3.2753 3.5104 3.5104 4.1634 4.1634 4.2313 4.2313 4.6327 4.6327 4.8591 4.8591 9.0640 9.0640 14.3944 14.3944 14.4154 14.4154 17.1544 17.1544 k = 0.4035-0.2330 0.3295 ( 1524 PWs) bands (ev): -8.4099 -8.4099 1.8282 1.8282 3.1761 3.1761 3.2790 3.2790 3.5045 3.5045 4.1644 4.1644 4.2126 4.2126 4.6240 4.6240 4.8347 4.8347 9.0051 9.0051 14.3943 14.3943 14.4756 14.4756 17.2196 17.2196 k = 0.4123-0.2380 0.3366 ( 1524 PWs) bands (ev): -8.4043 -8.4043 1.8484 1.8484 3.1800 3.1800 3.2829 3.2829 3.4988 3.4988 4.1653 4.1653 4.1940 4.1940 4.6157 4.6157 4.8106 4.8106 8.9505 8.9505 14.3751 14.3751 14.5524 14.5524 17.2836 17.2836 k = 0.4211-0.2431 0.3438 ( 1532 PWs) bands (ev): -8.3992 -8.3992 1.8687 1.8687 3.1840 3.1840 3.2869 3.2869 3.4935 3.4935 4.1659 4.1659 4.1755 4.1755 4.6077 4.6077 4.7872 4.7872 8.9005 8.9005 14.3578 14.3578 14.6242 14.6242 17.3456 17.3456 k = 0.4298-0.2482 0.3510 ( 1532 PWs) bands (ev): -8.3946 -8.3946 1.8887 1.8887 3.1879 3.1879 3.2909 3.2909 3.4885 3.4885 4.1577 4.1577 4.1665 4.1665 4.6004 4.6004 4.7650 4.7650 8.8554 8.8554 14.3423 14.3423 14.6903 14.6903 17.4050 17.4050 k = 0.4386-0.2532 0.3581 ( 1536 PWs) bands (ev): -8.3906 -8.3906 1.9079 1.9079 3.1917 3.1917 3.2948 3.2948 3.4839 3.4839 4.1406 4.1406 4.1669 4.1669 4.5936 4.5936 4.7443 4.7443 8.8153 8.8153 14.3287 14.3287 14.7500 14.7500 17.4606 17.4606 k = 0.4474-0.2583 0.3653 ( 1536 PWs) bands (ev): -8.3871 -8.3871 1.9259 1.9259 3.1953 3.1953 3.2985 3.2985 3.4798 3.4798 4.1248 4.1248 4.1673 4.1673 4.5876 4.5876 4.7256 4.7256 8.7804 8.7804 14.3169 14.3169 14.8028 14.8028 17.5117 17.5117 k = 0.4561-0.2634 0.3724 ( 1536 PWs) bands (ev): -8.3842 -8.3842 1.9421 1.9421 3.1985 3.1985 3.3018 3.3018 3.4761 3.4761 4.1105 4.1105 4.1677 4.1677 4.5823 4.5823 4.7091 4.7091 8.7508 8.7508 14.3069 14.3069 14.8483 14.8483 17.5571 17.5571 k = 0.4649-0.2684 0.3796 ( 1528 PWs) bands (ev): -8.3818 -8.3818 1.9561 1.9561 3.2014 3.2014 3.3048 3.3048 3.4731 3.4731 4.0983 4.0983 4.1679 4.1679 4.5780 4.5780 4.6953 4.6953 8.7266 8.7266 14.2988 14.2988 14.8860 14.8860 17.5959 17.5959 k = 0.4737-0.2735 0.3868 ( 1528 PWs) bands (ev): -8.3799 -8.3799 1.9675 1.9675 3.2036 3.2036 3.3072 3.3072 3.4706 3.4706 4.0882 4.0882 4.1681 4.1681 4.5745 4.5745 4.6843 4.6843 8.7077 8.7077 14.2925 14.2925 14.9157 14.9157 17.6272 17.6272 k = 0.4825-0.2785 0.3939 ( 1524 PWs) bands (ev): -8.3785 -8.3785 1.9759 1.9759 3.2053 3.2053 3.3090 3.3090 3.4688 3.4688 4.0809 4.0809 4.1682 4.1682 4.5720 4.5720 4.6763 4.6763 8.6942 8.6942 14.2880 14.2880 14.9371 14.9371 17.6503 17.6503 k = 0.4912-0.2836 0.4011 ( 1524 PWs) bands (ev): -8.3777 -8.3777 1.9810 1.9810 3.2063 3.2063 3.3101 3.3101 3.4677 3.4677 4.0763 4.0763 4.1682 4.1682 4.5705 4.5705 4.6715 4.6715 8.6861 8.6861 14.2853 14.2853 14.9500 14.9500 17.6643 17.6643 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3775 -8.3775 1.9828 1.9828 3.2067 3.2067 3.3104 3.3104 3.4673 3.4673 4.0748 4.0748 4.1682 4.1682 4.5700 4.5700 4.6699 4.6699 8.6834 8.6834 14.2844 14.2844 14.9543 14.9543 17.6691 17.6691 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3775 -8.3775 1.9828 1.9828 3.2067 3.2067 3.3104 3.3104 3.4673 3.4673 4.0748 4.0748 4.1682 4.1682 4.5700 4.5700 4.6699 4.6699 8.6834 8.6834 14.2844 14.2844 14.9543 14.9543 17.6691 17.6691 k = 0.5000-0.2787 0.4153 ( 1524 PWs) bands (ev): -8.3774 -8.3774 1.9831 1.9831 3.2016 3.2016 3.2969 3.2969 3.4790 3.4790 4.0755 4.0755 4.1730 4.1730 4.5705 4.5705 4.6706 4.6706 8.6870 8.6870 14.2832 14.2832 14.9526 14.9526 17.6647 17.6647 k = 0.5000-0.2688 0.4223 ( 1524 PWs) bands (ev): -8.3771 -8.3771 1.9842 1.9842 3.1866 3.1866 3.2640 3.2640 3.5064 3.5064 4.0772 4.0772 4.1870 4.1870 4.5719 4.5719 4.6729 4.6729 8.6978 8.6978 14.2797 14.2797 14.9477 14.9477 17.6495 17.6495 k = 0.5000-0.2588 0.4294 ( 1528 PWs) bands (ev): -8.3766 -8.3766 1.9860 1.9860 3.1622 3.1622 3.2220 3.2220 3.5405 3.5405 4.0792 4.0792 4.2091 4.2091 4.5741 4.5741 4.6770 4.6770 8.7157 8.7157 14.2739 14.2739 14.9395 14.9395 17.6176 17.6176 k = 0.5000-0.2489 0.4364 ( 1536 PWs) bands (ev): -8.3759 -8.3759 1.9885 1.9885 3.1278 3.1278 3.1778 3.1778 3.5767 3.5767 4.0812 4.0812 4.2375 4.2375 4.5770 4.5770 4.6833 4.6833 8.7408 8.7408 14.2661 14.2661 14.9281 14.9281 17.5626 17.5626 k = 0.5000-0.2389 0.4434 ( 1536 PWs) bands (ev): -8.3751 -8.3751 1.9917 1.9917 3.0827 3.0827 3.1358 3.1358 3.6137 3.6137 4.0832 4.0832 4.2697 4.2697 4.5806 4.5806 4.6922 4.6922 8.7729 8.7729 14.2564 14.2564 14.9136 14.9136 17.4821 17.4821 k = 0.5000-0.2289 0.4505 ( 1534 PWs) bands (ev): -8.3740 -8.3740 1.9957 1.9957 3.0292 3.0292 3.0965 3.0965 3.6507 3.6507 4.0852 4.0852 4.3033 4.3033 4.5846 4.5846 4.7045 4.7045 8.8121 8.8121 14.2451 14.2451 14.8961 14.8961 17.3785 17.3785 k = 0.5000-0.2190 0.4575 ( 1532 PWs) bands (ev): -8.3729 -8.3729 2.0005 2.0005 2.9709 2.9709 3.0582 3.0582 3.6872 3.6872 4.0872 4.0872 4.3364 4.3364 4.5886 4.5886 4.7205 4.7205 8.8582 8.8582 14.2325 14.2325 14.8759 14.8759 17.2559 17.2559 k = 0.5000-0.2090 0.4646 ( 1536 PWs) bands (ev): -8.3715 -8.3715 2.0059 2.0059 2.9102 2.9102 3.0199 3.0199 3.7230 3.7230 4.0893 4.0893 4.3671 4.3671 4.5924 4.5924 4.7408 4.7408 8.9110 8.9110 14.2189 14.2189 14.8529 14.8529 17.1182 17.1182 k = 0.5000-0.1991 0.4716 ( 1532 PWs) bands (ev): -8.3701 -8.3701 2.0122 2.0122 2.8486 2.8486 2.9816 2.9816 3.7578 3.7578 4.0916 4.0916 4.3948 4.3948 4.5960 4.5960 4.7654 4.7654 8.9704 8.9704 14.2046 14.2046 14.8276 14.8276 16.9688 16.9688 k = 0.5000-0.1891 0.4786 ( 1532 PWs) bands (ev): -8.3685 -8.3685 2.0192 2.0192 2.7870 2.7870 2.9432 2.9432 3.7915 3.7915 4.0942 4.0942 4.4188 4.4188 4.5991 4.5991 4.7938 4.7938 9.0363 9.0363 14.1899 14.1899 14.7999 14.7999 16.8102 16.8102 k = 0.5000-0.1792 0.4857 ( 1528 PWs) bands (ev): -8.3668 -8.3668 2.0270 2.0270 2.7261 2.7261 2.9049 2.9049 3.8238 3.8238 4.0972 4.0972 4.4394 4.4394 4.6018 4.6018 4.8251 4.8251 9.1082 9.1082 14.1752 14.1752 14.7703 14.7703 16.6448 16.6448 k = 0.5000-0.1692 0.4927 ( 1524 PWs) bands (ev): -8.3651 -8.3651 2.0356 2.0356 2.6665 2.6665 2.8669 2.8669 3.8545 3.8545 4.1006 4.1006 4.4569 4.4569 4.6041 4.6041 4.8584 4.8584 9.1858 9.1858 14.1609 14.1609 14.7389 14.7389 16.4744 16.4744 k = 0.5000-0.1593 0.4998 ( 1524 PWs) bands (ev): -8.3633 -8.3633 2.0451 2.0451 2.6086 2.6086 2.8291 2.8291 3.8834 3.8834 4.1045 4.1045 4.4719 4.4719 4.6060 4.6060 4.8926 4.8926 9.2687 9.2687 14.1471 14.1471 14.7059 14.7059 16.3006 16.3006 k = 0.5000-0.1493 0.5068 ( 1524 PWs) bands (ev): -8.3615 -8.3615 2.0553 2.0553 2.5528 2.5528 2.7918 2.7918 3.9103 3.9103 4.1091 4.1091 4.4847 4.4847 4.6076 4.6076 4.9269 4.9269 9.3564 9.3564 14.1342 14.1342 14.6716 14.6716 16.1251 16.1251 k = 0.5000-0.1394 0.5138 ( 1520 PWs) bands (ev): -8.3596 -8.3596 2.0664 2.0664 2.4993 2.4993 2.7550 2.7550 3.9349 3.9349 4.1146 4.1146 4.4960 4.4960 4.6090 4.6090 4.9605 4.9605 9.4483 9.4483 14.1225 14.1225 14.6363 14.6363 15.9491 15.9491 k = 0.5000-0.1294 0.5209 ( 1526 PWs) bands (ev): -8.3578 -8.3578 2.0783 2.0783 2.4486 2.4486 2.7188 2.7188 3.9568 3.9568 4.1209 4.1209 4.5058 4.5058 4.6101 4.6101 4.9928 4.9928 9.5437 9.5437 14.1122 14.1122 14.6003 14.6003 15.7741 15.7741 k = 0.5000-0.1195 0.5279 ( 1530 PWs) bands (ev): -8.3560 -8.3560 2.0911 2.0911 2.4008 2.4008 2.6832 2.6832 3.9760 3.9760 4.1283 4.1283 4.5146 4.5146 4.6111 4.6111 5.0234 5.0234 9.6418 9.6418 14.1035 14.1035 14.5637 14.5637 15.6014 15.6014 k = 0.5000-0.1095 0.5349 ( 1530 PWs) bands (ev): -8.3543 -8.3543 2.1048 2.1048 2.3561 2.3561 2.6483 2.6483 3.9924 3.9924 4.1368 4.1368 4.5225 4.5225 4.6120 4.6120 5.0520 5.0520 9.7415 9.7415 14.0966 14.0966 14.5268 14.5268 15.4325 15.4325 k = 0.5000-0.0995 0.5420 ( 1522 PWs) bands (ev): -8.3526 -8.3526 2.1193 2.1193 2.3148 2.3148 2.6143 2.6143 4.0061 4.0061 4.1462 4.1462 4.5296 4.5296 4.6128 4.6128 5.0785 5.0785 9.8418 9.8418 14.0916 14.0916 14.4899 14.4899 15.2687 15.2687 k = 0.5000-0.0896 0.5490 ( 1526 PWs) bands (ev): -8.3510 -8.3510 2.1347 2.1347 2.2769 2.2769 2.5809 2.5809 4.0171 4.0171 4.1562 4.1562 4.5359 4.5359 4.6135 4.6135 5.1025 5.1025 9.9413 9.9413 14.0886 14.0886 14.4532 14.4532 15.1119 15.1119 k = 0.5000-0.0796 0.5561 ( 1524 PWs) bands (ev): -8.3495 -8.3495 2.1509 2.1509 2.2428 2.2428 2.5485 2.5485 4.0260 4.0260 4.1665 4.1665 4.5416 4.5416 4.6141 4.6141 5.1241 5.1241 10.0386 10.0386 14.0876 14.0876 14.4168 14.4168 14.9638 14.9638 k = 0.5000-0.0697 0.5631 ( 1524 PWs) bands (ev): -8.3482 -8.3482 2.1676 2.1676 2.2129 2.2129 2.5169 2.5169 4.0329 4.0329 4.1765 4.1765 4.5465 4.5465 4.6145 4.6145 5.1432 5.1432 10.1320 10.1320 14.0886 14.0886 14.3808 14.3808 14.8265 14.8265 k = 0.5000-0.0597 0.5701 ( 1524 PWs) bands (ev): -8.3470 -8.3470 2.1787 2.1787 2.1933 2.1933 2.4863 2.4863 4.0382 4.0382 4.1859 4.1859 4.5508 4.5508 4.6150 4.6150 5.1597 5.1597 10.2195 10.2195 14.0915 14.0915 14.3455 14.3455 14.7024 14.7024 k = 0.5000-0.0498 0.5772 ( 1524 PWs) bands (ev): -8.3459 -8.3459 2.1612 2.1612 2.2072 2.2072 2.4566 2.4566 4.0423 4.0423 4.1944 4.1944 4.5545 4.5545 4.6153 4.6153 5.1737 5.1737 10.2991 10.2991 14.0957 14.0957 14.3109 14.3109 14.5940 14.5940 k = 0.5000-0.0398 0.5842 ( 1520 PWs) bands (ev): -8.3451 -8.3451 2.1430 2.1430 2.2266 2.2266 2.4280 2.4280 4.0454 4.0454 4.2018 4.2018 4.5576 4.5576 4.6156 4.6156 5.1851 5.1851 10.3685 10.3685 14.1008 14.1008 14.2779 14.2779 14.5039 14.5039 k = 0.5000-0.0299 0.5913 ( 1532 PWs) bands (ev): -8.3444 -8.3444 2.1286 2.1286 2.2470 2.2470 2.4006 2.4006 4.0476 4.0476 4.2075 4.2075 4.5598 4.5598 4.6157 4.6157 5.1939 5.1939 10.4256 10.4256 14.1056 14.1056 14.2480 14.2480 14.4339 14.4339 k = 0.5000-0.0199 0.5983 ( 1540 PWs) bands (ev): -8.3439 -8.3439 2.1181 2.1181 2.2678 2.2678 2.3748 2.3748 4.0491 4.0491 4.2117 4.2117 4.5615 4.5615 4.6159 4.6159 5.2001 5.2001 10.4681 10.4681 14.1086 14.1086 14.2245 14.2245 14.3844 14.3844 k = 0.5000-0.0100 0.6053 ( 1540 PWs) bands (ev): -8.3436 -8.3436 2.1119 2.1119 2.2877 2.2877 2.3520 2.3520 4.0500 4.0500 4.2143 4.2143 4.5625 4.5625 4.6160 4.6160 5.2039 5.2039 10.4944 10.4944 14.1093 14.1093 14.2106 14.2106 14.3550 14.3550 k = 0.5000 0.0000 0.6124 ( 1540 PWs) bands (ev): -8.3435 -8.3435 2.1098 2.1098 2.2987 2.2987 2.3400 2.3400 4.0503 4.0503 4.2152 4.2152 4.5628 4.5628 4.6160 4.6160 5.2052 5.2052 10.5032 10.5032 14.1091 14.1091 14.2062 14.2062 14.3452 14.3452 k = 0.5000 0.0000 0.6124 ( 1540 PWs) bands (ev): -8.3435 -8.3435 2.1098 2.1098 2.2987 2.2987 2.3400 2.3400 4.0503 4.0503 4.2152 4.2152 4.5628 4.5628 4.6160 4.6160 5.2052 5.2052 10.5032 10.5032 14.1091 14.1091 14.2062 14.2062 14.3452 14.3452 k = 0.4940 0.0103 0.6124 ( 1540 PWs) bands (ev): -8.3436 -8.3436 2.1094 2.1094 2.2930 2.2930 2.3463 2.3463 4.0503 4.0503 4.2145 4.2145 4.5629 4.5629 4.6171 4.6171 5.2057 5.2057 10.4998 10.4998 14.0917 14.0917 14.2068 14.2068 14.3678 14.3678 k = 0.4881 0.0206 0.6124 ( 1540 PWs) bands (ev): -8.3438 -8.3438 2.1084 2.1084 2.2810 2.2810 2.3596 2.3596 4.0500 4.0500 4.2126 4.2126 4.5632 4.5632 4.6205 4.6205 5.2073 5.2073 10.4897 10.4897 14.0476 14.0476 14.2165 14.2165 14.4197 14.4197 k = 0.4821 0.0309 0.6124 ( 1529 PWs) bands (ev): -8.3442 -8.3442 2.1072 2.1072 2.2676 2.2676 2.3748 2.3748 4.0495 4.0495 4.2097 4.2097 4.5639 4.5639 4.6260 4.6260 5.2099 5.2099 10.4730 10.4730 13.9948 13.9948 14.2314 14.2314 14.4866 14.4866 k = 0.4762 0.0412 0.6124 ( 1525 PWs) bands (ev): -8.3446 -8.3446 2.1058 2.1058 2.2541 2.2541 2.3902 2.3902 4.0483 4.0483 4.2059 4.2059 4.5650 4.5650 4.6336 4.6336 5.2135 5.2135 10.4502 10.4502 13.9419 13.9419 14.2480 14.2480 14.5633 14.5634 k = 0.4702 0.0515 0.6124 ( 1527 PWs) bands (ev): -8.3452 -8.3452 2.1045 2.1045 2.2410 2.2410 2.4052 2.4052 4.0465 4.0465 4.2014 4.2014 4.5665 4.5665 4.6430 4.6430 5.2180 5.2180 10.4219 10.4219 13.8916 13.8916 14.2650 14.2650 14.6478 14.6478 k = 0.4643 0.0619 0.6124 ( 1529 PWs) bands (ev): -8.3458 -8.3458 2.1031 2.1031 2.2285 2.2285 2.4195 2.4195 4.0437 4.0437 4.1966 4.1966 4.5683 4.5683 4.6540 4.6540 5.2234 5.2234 10.3887 10.3887 13.8449 13.8449 14.2820 14.2820 14.7387 14.7387 k = 0.4583 0.0722 0.6124 ( 1529 PWs) bands (ev): -8.3465 -8.3465 2.1019 2.1019 2.2167 2.2167 2.4329 2.4329 4.0400 4.0400 4.1919 4.1919 4.5704 4.5704 4.6665 4.6665 5.2296 5.2296 10.3514 10.3514 13.8023 13.8023 14.2988 14.2988 14.8351 14.8351 k = 0.4524 0.0825 0.6124 ( 1527 PWs) bands (ev): -8.3472 -8.3472 2.1007 2.1007 2.2055 2.2055 2.4454 2.4454 4.0352 4.0352 4.1875 4.1875 4.5726 4.5726 4.6801 4.6801 5.2367 5.2367 10.3110 10.3110 13.7638 13.7638 14.3152 14.3152 14.9362 14.9362 k = 0.4464 0.0928 0.6124 ( 1519 PWs) bands (ev): -8.3480 -8.3480 2.0997 2.0997 2.1952 2.1952 2.4570 2.4570 4.0296 4.0296 4.1837 4.1837 4.5750 4.5750 4.6944 4.6944 5.2445 5.2445 10.2684 10.2684 13.7292 13.7292 14.3311 14.3311 15.0412 15.0412 k = 0.4405 0.1031 0.6124 ( 1519 PWs) bands (ev): -8.3487 -8.3487 2.0987 2.0987 2.1856 2.1856 2.4676 2.4676 4.0231 4.0231 4.1804 4.1804 4.5773 4.5773 4.7091 4.7091 5.2529 5.2529 10.2246 10.2246 13.6983 13.6983 14.3463 14.3463 15.1493 15.1493 k = 0.4345 0.1134 0.6124 ( 1519 PWs) bands (ev): -8.3495 -8.3495 2.0978 2.0978 2.1769 2.1769 2.4772 2.4772 4.0159 4.0159 4.1777 4.1777 4.5796 4.5796 4.7238 4.7238 5.2618 5.2618 10.1806 10.1806 13.6710 13.6710 14.3608 14.3608 15.2594 15.2594 k = 0.4286 0.1237 0.6124 ( 1519 PWs) bands (ev): -8.3502 -8.3502 2.0969 2.0969 2.1689 2.1689 2.4858 2.4858 4.0083 4.0083 4.1756 4.1756 4.5817 4.5817 4.7381 4.7381 5.2710 5.2710 10.1373 10.1373 13.6470 13.6470 14.3742 14.3742 15.3705 15.3705 k = 0.4226 0.1340 0.6124 ( 1520 PWs) bands (ev): -8.3509 -8.3509 2.0962 2.0962 2.1618 2.1618 2.4935 2.4935 4.0007 4.0007 4.1740 4.1740 4.5837 4.5837 4.7516 4.7516 5.2804 5.2804 10.0957 10.0957 13.6261 13.6261 14.3867 14.3867 15.4812 15.4812 k = 0.4167 0.1443 0.6124 ( 1520 PWs) bands (ev): -8.3515 -8.3515 2.0955 2.0955 2.1555 2.1555 2.5003 2.5003 3.9933 3.9933 4.1728 4.1728 4.5855 4.5855 4.7641 4.7641 5.2896 5.2896 10.0567 10.0567 13.6081 13.6081 14.3980 14.3980 15.5898 15.5898 k = 0.4107 0.1546 0.6124 ( 1518 PWs) bands (ev): -8.3520 -8.3520 2.0948 2.0948 2.1501 2.1501 2.5062 2.5062 3.9863 3.9863 4.1720 4.1720 4.5871 4.5871 4.7754 4.7754 5.2984 5.2984 10.0210 10.0210 13.5929 13.5929 14.4080 14.4080 15.6945 15.6945 k = 0.4048 0.1650 0.6124 ( 1521 PWs) bands (ev): -8.3525 -8.3525 2.0943 2.0943 2.1455 2.1455 2.5112 2.5112 3.9801 3.9801 4.1713 4.1713 4.5885 4.5885 4.7851 4.7851 5.3065 5.3065 9.9895 9.9895 13.5803 13.5803 14.4166 14.4166 15.7927 15.7927 k = 0.3988 0.1753 0.6124 ( 1523 PWs) bands (ev): -8.3530 -8.3530 2.0938 2.0938 2.1418 2.1418 2.5152 2.5152 3.9746 3.9746 4.1709 4.1709 4.5897 4.5897 4.7933 4.7933 5.3136 5.3136 9.9628 9.9628 13.5702 13.5702 14.4238 14.4238 15.8814 15.8814 k = 0.3929 0.1856 0.6124 ( 1524 PWs) bands (ev): -8.3533 -8.3533 2.0934 2.0934 2.1389 2.1389 2.5184 2.5184 3.9703 3.9703 4.1706 4.1706 4.5906 4.5906 4.7997 4.7997 5.3195 5.3195 9.9414 9.9414 13.5624 13.5624 14.4294 14.4294 15.9569 15.9569 k = 0.3869 0.1959 0.6124 ( 1519 PWs) bands (ev): -8.3535 -8.3535 2.0931 2.0931 2.1368 2.1368 2.5206 2.5206 3.9671 3.9671 4.1704 4.1704 4.5913 4.5913 4.8044 4.8044 5.3239 5.3239 9.9258 9.9258 13.5569 13.5569 14.4335 14.4335 16.0151 16.0151 k = 0.3810 0.2062 0.6124 ( 1519 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1356 2.1356 2.5220 2.5220 3.9652 3.9652 4.1703 4.1703 4.5917 4.5917 4.8072 4.8072 5.3266 5.3266 9.9163 9.9163 13.5536 13.5536 14.4360 14.4360 16.0521 16.0521 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.3689 0.2130 0.6023 ( 1518 PWs) bands (ev): -8.3531 -8.3531 2.0367 2.0367 2.1485 2.1485 2.4904 2.4904 3.9824 3.9824 4.1720 4.1720 4.6004 4.6004 4.8123 4.8123 5.3966 5.3966 10.0136 10.0136 13.4679 13.4679 14.4004 14.4004 15.9559 15.9559 k = 0.3627 0.2094 0.5923 ( 1518 PWs) bands (ev): -8.3528 -8.3528 1.9815 1.9815 2.1639 2.1639 2.4599 2.4599 3.9996 3.9996 4.1733 4.1733 4.6090 4.6090 4.8159 4.8159 5.4650 5.4650 10.1156 10.1156 13.3794 13.3794 14.3647 14.3647 15.8491 15.8491 k = 0.3566 0.2059 0.5823 ( 1522 PWs) bands (ev): -8.3529 -8.3529 1.9286 1.9286 2.1801 2.1801 2.4311 2.4311 4.0158 4.0158 4.1743 4.1743 4.6178 4.6178 4.8187 4.8187 5.5323 5.5323 10.2189 10.2189 13.2873 13.2873 14.3299 14.3299 15.7449 15.7449 k = 0.3504 0.2023 0.5722 ( 1516 PWs) bands (ev): -8.3533 -8.3533 1.8783 1.8783 2.1970 2.1970 2.4041 2.4041 4.0311 4.0311 4.1753 4.1753 4.6266 4.6266 4.8209 4.8209 5.5985 5.5985 10.3233 10.3233 13.1919 13.1919 14.2963 14.2963 15.6436 15.6436 k = 0.3443 0.1988 0.5622 ( 1516 PWs) bands (ev): -8.3540 -8.3540 1.8306 1.8306 2.2146 2.2146 2.3788 2.3788 4.0452 4.0452 4.1762 4.1762 4.6355 4.6355 4.8225 4.8225 5.6632 5.6632 10.4286 10.4286 13.0937 13.0937 14.2640 14.2640 15.5456 15.5456 k = 0.3381 0.1952 0.5521 ( 1516 PWs) bands (ev): -8.3552 -8.3552 1.7859 1.7859 2.2329 2.2329 2.3553 2.3553 4.0578 4.0578 4.1772 4.1772 4.6443 4.6443 4.8235 4.8235 5.7262 5.7262 10.5346 10.5346 12.9931 12.9931 14.2333 14.2333 15.4513 15.4513 k = 0.3320 0.1917 0.5421 ( 1516 PWs) bands (ev): -8.3569 -8.3569 1.7442 1.7442 2.2517 2.2517 2.3338 2.3338 4.0687 4.0687 4.1787 4.1787 4.6530 4.6530 4.8239 4.8239 5.7871 5.7871 10.6411 10.6411 12.8903 12.8903 14.2044 14.2044 15.3611 15.3611 k = 0.3258 0.1881 0.5321 ( 1516 PWs) bands (ev): -8.3590 -8.3590 1.7057 1.7057 2.2708 2.2708 2.3145 2.3145 4.0777 4.0777 4.1808 4.1808 4.6616 4.6616 4.8238 4.8238 5.8458 5.8458 10.7481 10.7481 12.7859 12.7859 14.1773 14.1773 15.2753 15.2753 k = 0.3197 0.1846 0.5220 ( 1516 PWs) bands (ev): -8.3617 -8.3617 1.6705 1.6705 2.2858 2.2858 2.3019 2.3019 4.0846 4.0846 4.1836 4.1836 4.6700 4.6700 4.8232 4.8232 5.9019 5.9019 10.8552 10.8552 12.6803 12.6803 14.1524 14.1524 15.1941 15.1941 k = 0.3135 0.1810 0.5120 ( 1516 PWs) bands (ev): -8.3648 -8.3648 1.6387 1.6387 2.2770 2.2770 2.3155 2.3155 4.0892 4.0892 4.1872 4.1872 4.6781 4.6781 4.8220 4.8220 5.9552 5.9552 10.9623 10.9623 12.5741 12.5741 14.1297 14.1297 15.1181 15.1181 k = 0.3074 0.1775 0.5019 ( 1512 PWs) bands (ev): -8.3686 -8.3686 1.6104 1.6104 2.2635 2.2635 2.3364 2.3364 4.0918 4.0918 4.1916 4.1916 4.6858 4.6858 4.8204 4.8204 6.0055 6.0055 11.0687 11.0687 12.4679 12.4679 14.1095 14.1095 15.0475 15.0475 k = 0.3012 0.1739 0.4919 ( 1520 PWs) bands (ev): -8.3728 -8.3728 1.5856 1.5856 2.2513 2.2513 2.3584 2.3584 4.0924 4.0924 4.1963 4.1963 4.6931 4.6931 4.8182 4.8182 6.0525 6.0525 11.1736 11.1736 12.3629 12.3629 14.0918 14.0918 14.9826 14.9826 k = 0.2951 0.1704 0.4819 ( 1520 PWs) bands (ev): -8.3777 -8.3777 1.5645 1.5645 2.2409 2.2409 2.3813 2.3813 4.0914 4.0914 4.2013 4.2013 4.7000 4.7000 4.8156 4.8156 6.0959 6.0959 11.2756 11.2756 12.2607 12.2607 14.0770 14.0770 14.9237 14.9237 k = 0.2889 0.1668 0.4718 ( 1516 PWs) bands (ev): -8.3831 -8.3831 1.5471 1.5471 2.2324 2.2324 2.4048 2.4048 4.0891 4.0891 4.2061 4.2061 4.7063 4.7063 4.8126 4.8126 6.1355 6.1355 11.3716 11.3716 12.1647 12.1647 14.0649 14.0649 14.8711 14.8711 k = 0.2828 0.1633 0.4618 ( 1524 PWs) bands (ev): -8.3892 -8.3892 1.5335 1.5335 2.2258 2.2258 2.4289 2.4289 4.0856 4.0856 4.2105 4.2105 4.7118 4.7118 4.8091 4.8091 6.1710 6.1710 11.4548 11.4548 12.0818 12.0818 14.0560 14.0560 14.8251 14.8251 k = 0.2766 0.1597 0.4518 ( 1524 PWs) bands (ev): -8.3958 -8.3958 1.5236 1.5236 2.2212 2.2212 2.4537 2.4537 4.0814 4.0814 4.2144 4.2144 4.7168 4.7168 4.8052 4.8052 6.2023 6.2023 11.5109 11.5109 12.0264 12.0264 14.0501 14.0501 14.7859 14.7859 k = 0.2705 0.1562 0.4417 ( 1524 PWs) bands (ev): -8.4030 -8.4030 1.5176 1.5176 2.2185 2.2185 2.4791 2.4791 4.0764 4.0764 4.2175 4.2175 4.7209 4.7209 4.8008 4.8008 6.2292 6.2292 11.5197 11.5197 12.0191 12.0191 14.0476 14.0476 14.7539 14.7539 k = 0.2643 0.1526 0.4317 ( 1524 PWs) bands (ev): -8.4109 -8.4109 1.5155 1.5155 2.2177 2.2177 2.5050 2.5050 4.0708 4.0708 4.2198 4.2198 4.7243 4.7243 4.7959 4.7959 6.2515 6.2515 11.4760 11.4760 12.0651 12.0651 14.0484 14.0484 14.7291 14.7291 k = 0.2582 0.1491 0.4216 ( 1522 PWs) bands (ev): -8.4193 -8.4193 1.5173 1.5173 2.2189 2.2189 2.5316 2.5316 4.0648 4.0648 4.2212 4.2212 4.7268 4.7268 4.7907 4.7907 6.2690 6.2690 11.3975 11.3975 12.1469 12.1469 14.0528 14.0528 14.7118 14.7118 k = 0.2520 0.1455 0.4116 ( 1522 PWs) bands (ev): -8.4282 -8.4282 1.5229 1.5229 2.2221 2.2221 2.5586 2.5586 4.0584 4.0584 4.2217 4.2217 4.7284 4.7284 4.7849 4.7849 6.2817 6.2817 11.3011 11.3011 12.2478 12.2478 14.0607 14.0607 14.7020 14.7020 k = 0.2459 0.1420 0.4016 ( 1522 PWs) bands (ev): -8.4377 -8.4377 1.5325 1.5325 2.2273 2.2273 2.5862 2.5862 4.0516 4.0516 4.2212 4.2212 4.7290 4.7290 4.7788 4.7788 6.2893 6.2893 11.1956 11.1956 12.3590 12.3590 14.0724 14.0724 14.7000 14.7000 k = 0.2398 0.1384 0.3915 ( 1526 PWs) bands (ev): -8.4478 -8.4478 1.5459 1.5459 2.2344 2.2344 2.6143 2.6143 4.0446 4.0446 4.2197 4.2197 4.7285 4.7285 4.7722 4.7722 6.2920 6.2920 11.0849 11.0849 12.4767 12.4767 14.0879 14.0879 14.7058 14.7058 k = 0.2336 0.1349 0.3815 ( 1526 PWs) bands (ev): -8.4584 -8.4584 1.5632 1.5632 2.2435 2.2435 2.6430 2.6430 4.0373 4.0373 4.2173 4.2173 4.7271 4.7271 4.7652 4.7652 6.2896 6.2896 10.9710 10.9710 12.5991 12.5991 14.1073 14.1073 14.7195 14.7195 k = 0.2275 0.1313 0.3714 ( 1526 PWs) bands (ev): -8.4694 -8.4694 1.5842 1.5842 2.2545 2.2545 2.6721 2.6721 4.0299 4.0299 4.2139 4.2139 4.7244 4.7244 4.7578 4.7578 6.2821 6.2821 10.8550 10.8550 12.7250 12.7250 14.1307 14.1307 14.7410 14.7410 k = 0.2213 0.1278 0.3614 ( 1530 PWs) bands (ev): -8.4809 -8.4809 1.6091 1.6091 2.2676 2.2676 2.7016 2.7016 4.0223 4.0223 4.2096 4.2096 4.7206 4.7206 4.7501 4.7501 6.2697 6.2697 10.7374 10.7374 12.8540 12.8540 14.1581 14.1581 14.7703 14.7703 k = 0.2152 0.1242 0.3514 ( 1530 PWs) bands (ev): -8.4928 -8.4928 1.6377 1.6377 2.2826 2.2826 2.7316 2.7316 4.0146 4.0146 4.2044 4.2044 4.7156 4.7156 4.7420 4.7420 6.2523 6.2523 10.6187 10.6187 12.9858 12.9858 14.1896 14.1896 14.8075 14.8075 k = 0.2090 0.1207 0.3413 ( 1522 PWs) bands (ev): -8.5051 -8.5051 1.6701 1.6701 2.2995 2.2995 2.7621 2.7621 4.0069 4.0069 4.1985 4.1985 4.7095 4.7095 4.7338 4.7338 6.2302 6.2302 10.4991 10.4991 13.1201 13.1201 14.2252 14.2252 14.8524 14.8524 k = 0.2029 0.1171 0.3313 ( 1524 PWs) bands (ev): -8.5177 -8.5177 1.7060 1.7060 2.3185 2.3185 2.7929 2.7929 3.9991 3.9991 4.1917 4.1917 4.7020 4.7020 4.7252 4.7252 6.2033 6.2033 10.3786 10.3786 13.2568 13.2568 14.2650 14.2650 14.9049 14.9049 k = 0.1967 0.1136 0.3212 ( 1520 PWs) bands (ev): -8.5306 -8.5306 1.7455 1.7455 2.3393 2.3393 2.8241 2.8241 3.9913 3.9913 4.1842 4.1842 4.6935 4.6935 4.7162 4.7162 6.1720 6.1720 10.2576 10.2576 13.3956 13.3956 14.3090 14.3090 14.9649 14.9649 k = 0.1906 0.1100 0.3112 ( 1516 PWs) bands (ev): -8.5438 -8.5438 1.7884 1.7884 2.3622 2.3622 2.8556 2.8556 3.9835 3.9835 4.1762 4.1762 4.6840 4.6840 4.7067 4.7067 6.1362 6.1362 10.1360 10.1360 13.5366 13.5366 14.3573 14.3573 15.0323 15.0323 k = 0.1844 0.1065 0.3012 ( 1516 PWs) bands (ev): -8.5572 -8.5572 1.8347 1.8347 2.3869 2.3869 2.8875 2.8875 3.9757 3.9757 4.1673 4.1673 4.6737 4.6737 4.6967 4.6967 6.0963 6.0963 10.0139 10.0139 13.6794 13.6794 14.4099 14.4099 15.1069 15.1069 k = 0.1783 0.1029 0.2911 ( 1516 PWs) bands (ev): -8.5708 -8.5708 1.8843 1.8843 2.4135 2.4135 2.9196 2.9196 3.9680 3.9680 4.1580 4.1580 4.6626 4.6626 4.6860 4.6860 6.0525 6.0525 9.8915 9.8915 13.8240 13.8240 14.4668 14.4668 15.1884 15.1884 k = 0.1721 0.0994 0.2811 ( 1504 PWs) bands (ev): -8.5845 -8.5845 1.9372 1.9372 2.4420 2.4420 2.9520 2.9520 3.9606 3.9606 4.1482 4.1482 4.6509 4.6509 4.6746 4.6746 6.0049 6.0049 9.7689 9.7689 13.9701 13.9701 14.5282 14.5282 15.2768 15.2768 k = 0.1660 0.0958 0.2711 ( 1502 PWs) bands (ev): -8.5982 -8.5982 1.9930 1.9930 2.4724 2.4724 2.9847 2.9847 3.9531 3.9531 4.1379 4.1379 4.6386 4.6386 4.6625 4.6625 5.9538 5.9538 9.6460 9.6460 14.1173 14.1173 14.5942 14.5942 15.3718 15.3718 k = 0.1598 0.0923 0.2610 ( 1506 PWs) bands (ev): -8.6120 -8.6120 2.0518 2.0518 2.5047 2.5047 3.0175 3.0175 3.9458 3.9458 4.1272 4.1272 4.6257 4.6257 4.6496 4.6496 5.8995 5.8995 9.5231 9.5231 14.2652 14.2652 14.6649 14.6649 15.4731 15.4731 k = 0.1537 0.0887 0.2510 ( 1506 PWs) bands (ev): -8.6257 -8.6257 2.1134 2.1134 2.5387 2.5387 3.0504 3.0504 3.9388 3.9388 4.1161 4.1161 4.6124 4.6124 4.6359 4.6359 5.8422 5.8422 9.4002 9.4002 14.4131 14.4131 14.7410 14.7410 15.5806 15.5806 k = 0.1475 0.0852 0.2409 ( 1506 PWs) bands (ev): -8.6394 -8.6394 2.1776 2.1776 2.5747 2.5747 3.0835 3.0835 3.9320 3.9320 4.1049 4.1049 4.5986 4.5986 4.6216 4.6216 5.7821 5.7821 9.2775 9.2775 14.5598 14.5598 14.8233 14.8233 15.6940 15.6940 k = 0.1414 0.0816 0.2309 ( 1502 PWs) bands (ev): -8.6530 -8.6530 2.2444 2.2444 2.6124 2.6124 3.1167 3.1167 3.9254 3.9254 4.0935 4.0935 4.5842 4.5842 4.6068 4.6068 5.7195 5.7195 9.1551 9.1551 14.7032 14.7032 14.9134 14.9134 15.8130 15.8130 k = 0.1352 0.0781 0.2209 ( 1506 PWs) bands (ev): -8.6663 -8.6663 2.3134 2.3134 2.6519 2.6519 3.1498 3.1498 3.9192 3.9192 4.0819 4.0819 4.5692 4.5692 4.5913 4.5913 5.6545 5.6545 9.0332 9.0332 14.8399 14.8399 15.0144 15.0144 15.9376 15.9376 k = 0.1291 0.0745 0.2108 ( 1500 PWs) bands (ev): -8.6795 -8.6795 2.3845 2.3845 2.6931 2.6931 3.1830 3.1830 3.9134 3.9134 4.0704 4.0704 4.5535 4.5535 4.5755 4.5755 5.5875 5.5875 8.9120 8.9120 14.9661 14.9661 15.1298 15.1298 16.0673 16.0673 k = 0.1230 0.0710 0.2008 ( 1498 PWs) bands (ev): -8.6924 -8.6924 2.4576 2.4576 2.7362 2.7362 3.2160 3.2160 3.9079 3.9079 4.0590 4.0590 4.5370 4.5370 4.5595 4.5595 5.5187 5.5187 8.7918 8.7918 15.0812 15.0812 15.2593 15.2593 16.2019 16.2019 k = 0.1168 0.0674 0.1907 ( 1502 PWs) bands (ev): -8.7049 -8.7049 2.5323 2.5323 2.7808 2.7808 3.2489 3.2489 3.9029 3.9029 4.0478 4.0478 4.5195 4.5195 4.5433 4.5433 5.4483 5.4483 8.6727 8.6727 15.1896 15.1896 15.3982 15.3982 16.3413 16.3413 k = 0.1107 0.0639 0.1807 ( 1502 PWs) bands (ev): -8.7172 -8.7172 2.6083 2.6083 2.8272 2.8272 3.2816 3.2816 3.8984 3.8984 4.0368 4.0368 4.5010 4.5010 4.5271 4.5271 5.3765 5.3765 8.5550 8.5550 15.2954 15.2954 15.5414 15.5414 16.4852 16.4852 k = 0.1045 0.0603 0.1707 ( 1502 PWs) bands (ev): -8.7290 -8.7290 2.6855 2.6855 2.8754 2.8754 3.3140 3.3140 3.8946 3.8946 4.0261 4.0261 4.4816 4.4816 4.5108 4.5108 5.3034 5.3034 8.4390 8.4390 15.4013 15.4013 15.6855 15.6855 16.6333 16.6333 k = 0.0984 0.0568 0.1606 ( 1506 PWs) bands (ev): -8.7404 -8.7404 2.7632 2.7632 2.9252 2.9252 3.3460 3.3460 3.8914 3.8914 4.0159 4.0159 4.4611 4.4611 4.4944 4.4944 5.2294 5.2294 8.3251 8.3251 15.5084 15.5084 15.8282 15.8282 16.7852 16.7852 k = 0.0922 0.0532 0.1506 ( 1494 PWs) bands (ev): -8.7512 -8.7512 2.8412 2.8412 2.9769 2.9769 3.3777 3.3777 3.8890 3.8890 4.0063 4.0063 4.4399 4.4399 4.4777 4.4777 5.1547 5.1547 8.2137 8.2137 15.6171 15.6171 15.9680 15.9680 16.9407 16.9407 k = 0.0861 0.0497 0.1405 ( 1496 PWs) bands (ev): -8.7616 -8.7616 2.9187 2.9187 3.0306 3.0306 3.4087 3.4087 3.8875 3.8875 3.9973 3.9973 4.4179 4.4179 4.4606 4.4606 5.0793 5.0793 8.1051 8.1051 15.7277 15.7277 16.1034 16.1034 17.0964 17.0964 k = 0.0799 0.0461 0.1305 ( 1496 PWs) bands (ev): -8.7714 -8.7714 2.9947 2.9947 3.0867 3.0867 3.4391 3.4391 3.8870 3.8870 3.9892 3.9892 4.3953 4.3953 4.4429 4.4429 5.0035 5.0035 7.9998 7.9998 15.8399 15.8399 16.2328 16.2328 17.1218 17.1218 k = 0.0738 0.0426 0.1205 ( 1486 PWs) bands (ev): -8.7806 -8.7806 3.0682 3.0682 3.1456 3.1456 3.4690 3.4690 3.8878 3.8878 3.9821 3.9821 4.3721 4.3721 4.4246 4.4246 4.9276 4.9276 7.8984 7.8984 15.9536 15.9536 16.3549 16.3549 17.1064 17.1064 k = 0.0676 0.0390 0.1104 ( 1482 PWs) bands (ev): -8.7893 -8.7893 3.1377 3.1377 3.2079 3.2079 3.4982 3.4982 3.8898 3.8898 3.9762 3.9762 4.3484 4.3484 4.4053 4.4053 4.8515 4.8515 7.8014 7.8014 16.0684 16.0684 16.4684 16.4684 17.0919 17.0919 k = 0.0615 0.0355 0.1004 ( 1476 PWs) bands (ev): -8.7972 -8.7972 3.2027 3.2027 3.2730 3.2730 3.5270 3.5270 3.8935 3.8935 3.9718 3.9718 4.3243 4.3243 4.3850 4.3850 4.7757 4.7757 7.7093 7.7093 16.1835 16.1835 16.5719 16.5719 17.0786 17.0786 k = 0.0553 0.0319 0.0904 ( 1476 PWs) bands (ev): -8.8045 -8.8045 3.2636 3.2636 3.3387 3.3387 3.5559 3.5559 3.8989 3.8989 3.9689 3.9689 4.2999 4.2999 4.3634 4.3634 4.7001 4.7001 7.6229 7.6229 16.2984 16.2984 16.6645 16.6645 17.0668 17.0669 k = 0.0492 0.0284 0.0803 ( 1468 PWs) bands (ev): -8.8111 -8.8111 3.3214 3.3214 3.4019 3.4019 3.5861 3.5861 3.9064 3.9064 3.9680 3.9680 4.2753 4.2753 4.3404 4.3404 4.6252 4.6252 7.5429 7.5429 16.4118 16.4118 16.7455 16.7455 17.0566 17.0566 k = 0.0430 0.0248 0.0703 ( 1464 PWs) bands (ev): -8.8169 -8.8169 3.3762 3.3762 3.4586 3.4586 3.6196 3.6196 3.9163 3.9163 3.9694 3.9694 4.2507 4.2507 4.3159 4.3159 4.5511 4.5511 7.4698 7.4698 16.5226 16.5226 16.8144 16.8144 17.0479 17.0479 k = 0.0369 0.0213 0.0602 ( 1464 PWs) bands (ev): -8.8220 -8.8220 3.4277 3.4277 3.5051 3.5051 3.6591 3.6591 3.9288 3.9288 3.9734 3.9734 4.2263 4.2263 4.2896 4.2896 4.4782 4.4782 7.4046 7.4046 16.6289 16.6289 16.8715 16.8715 17.0412 17.0412 k = 0.0307 0.0177 0.0502 ( 1464 PWs) bands (ev): -8.8264 -8.8264 3.4749 3.4749 3.5395 3.5395 3.7054 3.7054 3.9443 3.9443 3.9804 3.9804 4.2023 4.2023 4.2616 4.2616 4.4068 4.4068 7.3478 7.3478 16.7281 16.7281 16.9168 16.9168 17.0368 17.0368 k = 0.0246 0.0142 0.0402 ( 1464 PWs) bands (ev): -8.8300 -8.8300 3.5165 3.5165 3.5632 3.5632 3.7561 3.7561 3.9632 3.9632 3.9905 3.9905 4.1790 4.1790 4.2320 4.2320 4.3377 4.3377 7.3002 7.3002 16.8171 16.8171 16.9504 16.9504 17.0358 17.0358 k = 0.0184 0.0106 0.0301 ( 1464 PWs) bands (ev): -8.8328 -8.8328 3.5507 3.5507 3.5792 3.5792 3.8072 3.8072 3.9857 3.9857 4.0036 4.0036 4.1572 4.1572 4.2014 4.2014 4.2717 4.2717 7.2625 7.2625 16.8918 16.8918 16.9724 16.9724 17.0395 17.0395 k = 0.0123 0.0071 0.0201 ( 1464 PWs) bands (ev): -8.8348 -8.8348 3.5761 3.5761 3.5894 3.5894 3.8540 3.8540 4.0111 4.0111 4.0199 4.0199 4.1376 4.1376 4.1714 4.1714 4.2110 4.2110 7.2351 7.2351 16.9471 16.9471 16.9838 16.9838 17.0484 17.0484 k = 0.0061 0.0035 0.0100 ( 1464 PWs) bands (ev): -8.8360 -8.8360 3.5918 3.5918 3.5952 3.5952 3.8894 3.8894 4.0363 4.0363 4.0384 4.0384 4.1207 4.1207 4.1467 4.1467 4.1605 4.1605 7.2185 7.2185 16.9795 16.9795 16.9885 16.9885 17.0587 17.0587 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.8364 -8.8364 3.5971 3.5971 3.5971 3.5971 3.9032 3.9032 4.0499 4.0499 4.0499 4.0499 4.1111 4.1111 4.1369 4.1369 4.1369 4.1369 7.2130 7.2130 16.9897 16.9897 16.9897 16.9897 17.0634 17.0634 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.8364 -8.8364 3.5971 3.5971 3.5971 3.5971 3.9032 3.9032 4.0499 4.0499 4.0499 4.0499 4.1111 4.1111 4.1369 4.1369 4.1369 4.1369 7.2130 7.2130 16.9897 16.9897 16.9897 16.9897 17.0634 17.0634 k = 0.0100 0.0058 0.0041 ( 1462 PWs) bands (ev): -8.8360 -8.8360 3.5927 3.5927 3.5943 3.5943 3.8897 3.8897 4.0368 4.0368 4.0373 4.0373 4.1206 4.1206 4.1527 4.1527 4.1550 4.1550 7.2185 7.2185 16.9788 16.9788 16.9892 16.9892 17.0588 17.0588 k = 0.0200 0.0115 0.0082 ( 1462 PWs) bands (ev): -8.8348 -8.8348 3.5799 3.5799 3.5860 3.5860 3.8555 3.8555 4.0130 4.0130 4.0131 4.0131 4.1374 4.1374 4.1919 4.1919 4.1940 4.1940 7.2349 7.2349 16.9432 16.9432 16.9877 16.9877 17.0489 17.0489 k = 0.0300 0.0173 0.0122 ( 1462 PWs) bands (ev): -8.8328 -8.8328 3.5591 3.5591 3.5718 3.5718 3.8102 3.8102 3.9868 3.9868 3.9909 3.9909 4.1555 4.1555 4.2410 4.2410 4.2420 4.2420 7.2620 7.2620 16.8817 16.8817 16.9849 16.9849 17.0383 17.0383 k = 0.0400 0.0231 0.0163 ( 1462 PWs) bands (ev): -8.8300 -8.8300 3.5312 3.5312 3.5512 3.5512 3.7592 3.7592 3.9616 3.9616 3.9730 3.9730 4.1732 4.1732 4.2924 4.2924 4.2973 4.2973 7.2993 7.2993 16.7985 16.7985 16.9806 16.9806 17.0265 17.0265 k = 0.0500 0.0289 0.0204 ( 1462 PWs) bands (ev): -8.8265 -8.8265 3.4973 3.4973 3.5240 3.5240 3.7044 3.7044 3.9390 3.9390 3.9597 3.9597 4.1900 4.1900 4.3467 4.3467 4.3555 4.3555 7.3461 7.3461 16.6988 16.6988 16.9741 16.9741 17.0119 17.0119 k = 0.0600 0.0346 0.0245 ( 1462 PWs) bands (ev): -8.8221 -8.8221 3.4588 3.4588 3.4906 3.4906 3.6464 3.6464 3.9202 3.9202 3.9506 3.9506 4.2056 4.2056 4.4030 4.4030 4.4154 4.4154 7.4018 7.4018 16.5868 16.5868 16.9647 16.9647 16.9929 16.9929 k = 0.0700 0.0404 0.0286 ( 1462 PWs) bands (ev): -8.8171 -8.8171 3.4167 3.4167 3.4514 3.4514 3.5852 3.5852 3.9056 3.9056 3.9449 3.9449 4.2202 4.2202 4.4609 4.4609 4.4766 4.4766 7.4656 7.4656 16.4659 16.4659 16.9516 16.9516 16.9680 16.9680 k = 0.0800 0.0462 0.0327 ( 1465 PWs) bands (ev): -8.8112 -8.8112 3.3722 3.3722 3.4072 3.4072 3.5214 3.5214 3.8951 3.8951 3.9421 3.9421 4.2339 4.2339 4.5200 4.5200 4.5385 4.5385 7.5366 7.5366 16.3386 16.3386 16.9335 16.9335 16.9359 16.9359 k = 0.0900 0.0520 0.0367 ( 1471 PWs) bands (ev): -8.8047 -8.8047 3.3259 3.3259 3.3584 3.3584 3.4556 3.4556 3.8883 3.8883 3.9415 3.9415 4.2468 4.2468 4.5799 4.5799 4.6010 4.6010 7.6143 7.6143 16.2065 16.2065 16.8949 16.8949 16.9092 16.9092 k = 0.1000 0.0577 0.0408 ( 1471 PWs) bands (ev): -8.7974 -8.7974 3.2786 3.2786 3.3047 3.3047 3.3895 3.3895 3.8846 3.8846 3.9428 3.9428 4.2593 4.2593 4.6405 4.6405 4.6639 4.6639 7.6976 7.6976 16.0713 16.0713 16.8442 16.8442 16.8773 16.8773 k = 0.1100 0.0635 0.0449 ( 1483 PWs) bands (ev): -8.7895 -8.7895 3.2307 3.2307 3.2450 3.2450 3.3254 3.3254 3.8834 3.8834 3.9455 3.9455 4.2715 4.2715 4.7015 4.7015 4.7269 4.7269 7.7861 7.7861 15.9338 15.9338 16.7829 16.7829 16.8366 16.8366 k = 0.1200 0.0693 0.0490 ( 1495 PWs) bands (ev): -8.7809 -8.7809 3.1784 3.1784 3.1825 3.1825 3.2650 3.2650 3.8844 3.8844 3.9495 3.9495 4.2833 4.2833 4.7628 4.7628 4.7900 4.7900 7.8789 7.8789 15.7951 15.7951 16.7110 16.7110 16.7861 16.7861 k = 0.1300 0.0751 0.0531 ( 1495 PWs) bands (ev): -8.7717 -8.7717 3.1055 3.1055 3.1344 3.1344 3.2088 3.2088 3.8871 3.8871 3.9546 3.9546 4.2951 4.2951 4.8244 4.8244 4.8532 4.8532 7.9754 7.9754 15.6558 15.6558 16.6293 16.6293 16.7254 16.7254 k = 0.1400 0.0808 0.0572 ( 1492 PWs) bands (ev): -8.7619 -8.7619 3.0283 3.0283 3.0866 3.0866 3.1557 3.1557 3.8913 3.8913 3.9606 3.9606 4.3070 4.3070 4.8860 4.8860 4.9162 4.9162 8.0751 8.0751 15.5165 15.5165 16.5389 16.5389 16.6546 16.6546 k = 0.1500 0.0866 0.0612 ( 1495 PWs) bands (ev): -8.7515 -8.7515 2.9481 2.9481 3.0393 3.0393 3.1047 3.1047 3.8966 3.8966 3.9674 3.9674 4.3188 4.3188 4.9475 4.9475 4.9791 4.9791 8.1774 8.1774 15.3777 15.3777 16.4412 16.4412 16.5745 16.5745 k = 0.1600 0.0924 0.0653 ( 1495 PWs) bands (ev): -8.7406 -8.7406 2.8662 2.8662 2.9925 2.9925 3.0552 3.0552 3.9030 3.9030 3.9749 3.9749 4.3308 4.3308 5.0089 5.0089 5.0416 5.0416 8.2817 8.2817 15.2398 15.2398 16.3379 16.3379 16.4863 16.4863 k = 0.1700 0.0981 0.0694 ( 1495 PWs) bands (ev): -8.7292 -8.7292 2.7833 2.7833 2.9464 2.9464 3.0070 3.0070 3.9103 3.9103 3.9830 3.9830 4.3429 4.3429 5.0700 5.0700 5.1038 5.1038 8.3877 8.3877 15.1032 15.1032 16.2302 16.2302 16.3915 16.3915 k = 0.1800 0.1039 0.0735 ( 1507 PWs) bands (ev): -8.7174 -8.7174 2.7000 2.7000 2.9011 2.9011 2.9600 2.9600 3.9182 3.9182 3.9916 3.9916 4.3552 4.3552 5.1307 5.1307 5.1654 5.1654 8.4948 8.4948 14.9683 14.9683 16.1196 16.1196 16.2915 16.2915 k = 0.1900 0.1097 0.0776 ( 1504 PWs) bands (ev): -8.7051 -8.7051 2.6167 2.6167 2.8567 2.8567 2.9143 2.9143 3.9269 3.9269 4.0007 4.0007 4.3677 4.3677 5.1909 5.1909 5.2266 5.2266 8.6026 8.6026 14.8354 14.8354 16.0071 16.0071 16.1877 16.1877 k = 0.2000 0.1155 0.0816 ( 1504 PWs) bands (ev): -8.6925 -8.6925 2.5336 2.5336 2.8133 2.8133 2.8696 2.8696 3.9362 3.9362 4.0101 4.0101 4.3804 4.3804 5.2507 5.2507 5.2871 5.2871 8.7108 8.7108 14.7048 14.7048 15.8937 15.8937 16.0814 16.0814 k = 0.2100 0.1212 0.0857 ( 1513 PWs) bands (ev): -8.6796 -8.6796 2.4512 2.4512 2.7709 2.7709 2.8261 2.8261 3.9459 3.9459 4.0199 4.0199 4.3932 4.3932 5.3097 5.3097 5.3469 5.3469 8.8188 8.8188 14.5769 14.5769 15.7801 15.7801 15.9736 15.9736 k = 0.2200 0.1270 0.0898 ( 1513 PWs) bands (ev): -8.6663 -8.6663 2.3698 2.3698 2.7296 2.7296 2.7838 2.7838 3.9560 3.9560 4.0300 4.0300 4.4064 4.4064 5.3681 5.3681 5.4059 5.4059 8.9264 8.9264 14.4518 14.4518 15.6669 15.6669 15.8652 15.8652 k = 0.2300 0.1328 0.0939 ( 1513 PWs) bands (ev): -8.6529 -8.6529 2.2894 2.2894 2.6894 2.6894 2.7428 2.7428 3.9665 3.9665 4.0404 4.0404 4.4197 4.4197 5.4256 5.4256 5.4640 5.4640 9.0331 9.0331 14.3300 14.3300 15.5548 15.5548 15.7570 15.7570 k = 0.2400 0.1386 0.0980 ( 1513 PWs) bands (ev): -8.6392 -8.6392 2.2104 2.2104 2.6504 2.6504 2.7030 2.7030 3.9773 3.9773 4.0509 4.0509 4.4331 4.4331 5.4822 5.4822 5.5212 5.5212 9.1385 9.1385 14.2117 14.2117 15.4441 15.4441 15.6495 15.6495 k = 0.2500 0.1443 0.1021 ( 1507 PWs) bands (ev): -8.6254 -8.6254 2.1329 2.1329 2.6126 2.6126 2.6645 2.6645 3.9884 3.9884 4.0615 4.0615 4.4468 4.4468 5.5379 5.5379 5.5774 5.5774 9.2424 9.2424 14.0971 14.0971 15.3352 15.3352 15.5433 15.5433 k = 0.2600 0.1501 0.1061 ( 1513 PWs) bands (ev): -8.6116 -8.6116 2.0572 2.0572 2.5760 2.5760 2.6272 2.6272 3.9996 3.9996 4.0722 4.0722 4.4604 4.4604 5.5924 5.5924 5.6324 5.6324 9.3442 9.3442 13.9865 13.9865 15.2284 15.2284 15.4388 15.4388 k = 0.2700 0.1559 0.1102 ( 1507 PWs) bands (ev): -8.5977 -8.5977 1.9833 1.9833 2.5407 2.5407 2.5913 2.5913 4.0109 4.0109 4.0830 4.0830 4.4742 4.4742 5.6458 5.6458 5.6861 5.6861 9.4437 9.4437 13.8802 13.8802 15.1241 15.1241 15.3364 15.3364 k = 0.2800 0.1617 0.1143 ( 1507 PWs) bands (ev): -8.5839 -8.5839 1.9114 1.9114 2.5067 2.5067 2.5568 2.5568 4.0223 4.0223 4.0937 4.0937 4.4880 4.4880 5.6979 5.6979 5.7386 5.7386 9.5404 9.5404 13.7785 13.7785 15.0225 15.0225 15.2363 15.2363 k = 0.2900 0.1674 0.1184 ( 1507 PWs) bands (ev): -8.5701 -8.5701 1.8417 1.8417 2.4741 2.4741 2.5236 2.5236 4.0336 4.0336 4.1044 4.1044 4.5018 4.5018 5.7487 5.7487 5.7897 5.7897 9.6340 9.6340 13.6816 13.6816 14.9238 14.9238 15.1390 15.1390 k = 0.3000 0.1732 0.1225 ( 1513 PWs) bands (ev): -8.5565 -8.5565 1.7744 1.7744 2.4428 2.4428 2.4919 2.4919 4.0449 4.0449 4.1149 4.1149 4.5155 4.5155 5.7979 5.7979 5.8392 5.8392 9.7241 9.7241 13.5897 13.5897 14.8282 14.8282 15.0446 15.0446 k = 0.3100 0.1790 0.1266 ( 1513 PWs) bands (ev): -8.5431 -8.5431 1.7095 1.7095 2.4129 2.4129 2.4615 2.4615 4.0561 4.0561 4.1253 4.1253 4.5291 4.5291 5.8457 5.8457 5.8872 5.8872 9.8103 9.8103 13.5031 13.5031 14.7360 14.7360 14.9534 14.9534 k = 0.3200 0.1848 0.1306 ( 1513 PWs) bands (ev): -8.5300 -8.5300 1.6471 1.6471 2.3844 2.3844 2.4326 2.4326 4.0671 4.0671 4.1355 4.1355 4.5425 4.5425 5.8917 5.8917 5.9335 5.9335 9.8924 9.8924 13.4220 13.4220 14.6473 14.6473 14.8656 14.8656 k = 0.3300 0.1905 0.1347 ( 1501 PWs) bands (ev): -8.5171 -8.5171 1.5875 1.5875 2.3573 2.3573 2.4052 2.4052 4.0780 4.0780 4.1455 4.1455 4.5559 4.5559 5.9361 5.9361 5.9780 5.9780 9.9699 9.9699 13.3466 13.3466 14.5623 14.5623 14.7813 14.7813 k = 0.3400 0.1963 0.1388 ( 1504 PWs) bands (ev): -8.5047 -8.5047 1.5307 1.5307 2.3317 2.3317 2.3793 2.3793 4.0885 4.0885 4.1551 4.1551 4.5688 4.5688 5.9786 5.9786 6.0206 6.0206 10.0427 10.0427 13.2769 13.2769 14.4811 14.4811 14.7009 14.7009 k = 0.3500 0.2021 0.1429 ( 1510 PWs) bands (ev): -8.4927 -8.4927 1.4768 1.4768 2.3075 2.3075 2.3548 2.3548 4.0986 4.0986 4.1643 4.1643 4.5812 4.5812 6.0191 6.0191 6.0613 6.0613 10.1104 10.1104 13.2131 13.2131 14.4039 14.4039 14.6243 14.6243 k = 0.3600 0.2078 0.1470 ( 1510 PWs) bands (ev): -8.4811 -8.4811 1.4258 1.4258 2.2849 2.2849 2.3318 2.3318 4.1084 4.1084 4.1732 4.1732 4.5934 4.5934 6.0576 6.0576 6.0999 6.0999 10.1728 10.1728 13.1553 13.1553 14.3309 14.3309 14.5519 14.5519 k = 0.3700 0.2136 0.1511 ( 1510 PWs) bands (ev): -8.4701 -8.4701 1.3780 1.3780 2.2637 2.2637 2.3104 2.3104 4.1178 4.1178 4.1817 4.1817 4.6051 4.6051 6.0939 6.0939 6.1363 6.1363 10.2299 10.2299 13.1034 13.1034 14.2622 14.2622 14.4838 14.4838 k = 0.3800 0.2194 0.1551 ( 1504 PWs) bands (ev): -8.4597 -8.4597 1.3334 1.3334 2.2441 2.2441 2.2905 2.2905 4.1268 4.1268 4.1897 4.1897 4.6163 4.6163 6.1280 6.1280 6.1705 6.1705 10.2816 10.2816 13.0574 13.0574 14.1980 14.1980 14.4200 14.4200 k = 0.3900 0.2252 0.1592 ( 1504 PWs) bands (ev): -8.4499 -8.4499 1.2920 1.2920 2.2259 2.2259 2.2722 2.2722 4.1351 4.1351 4.1972 4.1972 4.6269 4.6269 6.1598 6.1598 6.2024 6.2024 10.3278 10.3278 13.0170 13.0170 14.1383 14.1383 14.3608 14.3608 k = 0.4000 0.2309 0.1633 ( 1504 PWs) bands (ev): -8.4408 -8.4408 1.2539 1.2539 2.2094 2.2094 2.2554 2.2554 4.1429 4.1429 4.2042 4.2042 4.6367 4.6367 6.1892 6.1892 6.2318 6.2318 10.3686 10.3686 12.9820 12.9820 14.0834 14.0834 14.3063 14.3063 k = 0.4100 0.2367 0.1674 ( 1504 PWs) bands (ev): -8.4324 -8.4324 1.2193 1.2193 2.1943 2.1943 2.2402 2.2402 4.1501 4.1501 4.2106 4.2106 4.6459 4.6459 6.2161 6.2161 6.2587 6.2587 10.4043 10.4043 12.9522 12.9522 14.0333 14.0333 14.2565 14.2565 k = 0.4200 0.2425 0.1715 ( 1501 PWs) bands (ev): -8.4248 -8.4248 1.1881 1.1881 2.1809 2.1809 2.2266 2.2266 4.1567 4.1567 4.2165 4.2165 4.6542 4.6542 6.2404 6.2404 6.2830 6.2830 10.4351 10.4351 12.9271 12.9271 13.9881 13.9881 14.2117 14.2117 k = 0.4300 0.2483 0.1755 ( 1501 PWs) bands (ev): -8.4179 -8.4179 1.1605 1.1605 2.1689 2.1689 2.2145 2.2145 4.1626 4.1626 4.2217 4.2217 4.6617 4.6617 6.2620 6.2620 6.3047 6.3047 10.4611 10.4611 12.9063 12.9063 13.9479 13.9479 14.1719 14.1719 k = 0.4400 0.2540 0.1796 ( 1501 PWs) bands (ev): -8.4120 -8.4120 1.1364 1.1364 2.1586 2.1586 2.2041 2.2041 4.1677 4.1677 4.2262 4.2262 4.6683 4.6683 6.2809 6.2809 6.3236 6.3236 10.4828 10.4828 12.8895 12.8895 13.9129 13.9129 14.1372 14.1372 k = 0.4500 0.2598 0.1837 ( 1501 PWs) bands (ev): -8.4069 -8.4069 1.1160 1.1160 2.1498 2.1498 2.1952 2.1952 4.1721 4.1721 4.2301 4.2301 4.6740 4.6740 6.2969 6.2969 6.3397 6.3397 10.5005 10.5005 12.8762 12.8762 13.8832 13.8832 14.1077 14.1077 k = 0.4600 0.2656 0.1878 ( 1507 PWs) bands (ev): -8.4026 -8.4026 1.0992 1.0992 2.1427 2.1427 2.1880 2.1880 4.1756 4.1756 4.2332 4.2332 4.6787 4.6787 6.3102 6.3102 6.3529 6.3529 10.5144 10.5144 12.8660 12.8660 13.8587 13.8587 14.0834 14.0834 k = 0.4700 0.2714 0.1919 ( 1502 PWs) bands (ev): -8.3993 -8.3993 1.0861 1.0861 2.1371 2.1371 2.1823 2.1823 4.1785 4.1785 4.2358 4.2358 4.6824 4.6824 6.3206 6.3206 6.3633 6.3633 10.5249 10.5249 12.8584 12.8584 13.8396 13.8396 14.0645 14.0645 k = 0.4800 0.2771 0.1960 ( 1502 PWs) bands (ev): -8.3970 -8.3970 1.0768 1.0768 2.1331 2.1331 2.1783 2.1783 4.1806 4.1806 4.2376 4.2376 4.6851 4.6851 6.3280 6.3280 6.3707 6.3707 10.5322 10.5322 12.8533 12.8533 13.8259 13.8259 14.0510 14.0510 k = 0.4900 0.2829 0.2000 ( 1502 PWs) bands (ev): -8.3955 -8.3955 1.0712 1.0712 2.1307 2.1307 2.1759 2.1759 4.1818 4.1818 4.2387 4.2387 4.6867 4.6867 6.3325 6.3325 6.3752 6.3752 10.5365 10.5365 12.8503 12.8503 13.8177 13.8177 14.0428 14.0428 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.3951 -8.3951 1.0693 1.0693 2.1299 2.1299 2.1751 2.1751 4.1822 4.1822 4.2390 4.2390 4.6872 4.6872 6.3339 6.3339 6.3767 6.3767 10.5379 10.5379 12.8493 12.8493 13.8150 13.8150 14.0401 14.0401 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.3951 -8.3951 1.0693 1.0693 2.1299 2.1299 2.1751 2.1751 4.1822 4.1822 4.2390 4.2390 4.6872 4.6872 6.3339 6.3339 6.3767 6.3767 10.5379 10.5379 12.8493 12.8493 13.8150 13.8150 14.0401 14.0401 k = 0.5036 0.2784 0.2100 ( 1502 PWs) bands (ev): -8.3950 -8.3950 1.0704 1.0704 2.1302 2.1302 2.1753 2.1753 4.1820 4.1820 4.2389 4.2389 4.6870 4.6870 6.3314 6.3314 6.3744 6.3744 10.5427 10.5427 12.8388 12.8388 13.8203 13.8203 14.0446 14.0446 k = 0.5071 0.2681 0.2158 ( 1502 PWs) bands (ev): -8.3948 -8.3948 1.0737 1.0737 2.1310 2.1310 2.1761 2.1761 4.1815 4.1815 4.2385 4.2385 4.6865 4.6865 6.3234 6.3234 6.3678 6.3678 10.5572 10.5572 12.8083 12.8083 13.8355 13.8355 14.0578 14.0578 k = 0.5107 0.2577 0.2216 ( 1512 PWs) bands (ev): -8.3944 -8.3944 1.0793 1.0793 2.1323 2.1323 2.1773 2.1773 4.1805 4.1805 4.2379 4.2379 4.6855 4.6855 6.3090 6.3090 6.3580 6.3580 10.5811 10.5811 12.7605 12.7605 13.8585 13.8585 14.0791 14.0791 k = 0.5143 0.2474 0.2275 ( 1512 PWs) bands (ev): -8.3938 -8.3938 1.0870 1.0870 2.1341 2.1341 2.1790 2.1790 4.1793 4.1793 4.2371 4.2371 4.6842 4.6842 6.2875 6.2875 6.3462 6.3462 10.6140 10.6140 12.6986 12.6986 13.8872 13.8872 14.1075 14.1075 k = 0.5179 0.2371 0.2333 ( 1510 PWs) bands (ev): -8.3932 -8.3932 1.0969 1.0969 2.1365 2.1365 2.1813 2.1813 4.1777 4.1777 4.2361 4.2361 4.6826 4.6826 6.2589 6.2589 6.3328 6.3328 10.6556 10.6556 12.6260 12.6260 13.9198 13.9198 14.1413 14.1413 k = 0.5214 0.2268 0.2391 ( 1510 PWs) bands (ev): -8.3923 -8.3923 1.1090 1.1090 2.1393 2.1393 2.1841 2.1841 4.1756 4.1756 4.2349 4.2349 4.6806 4.6806 6.2235 6.2235 6.3179 6.3179 10.7053 10.7053 12.5454 12.5454 13.9555 13.9555 14.1787 14.1787 k = 0.5250 0.2165 0.2449 ( 1509 PWs) bands (ev): -8.3914 -8.3914 1.1232 1.1232 2.1426 2.1426 2.1874 2.1874 4.1732 4.1732 4.2336 4.2336 4.6784 4.6784 6.1821 6.1821 6.3013 6.3013 10.7623 10.7623 12.4593 12.4593 13.9940 13.9940 14.2178 14.2178 k = 0.5286 0.2062 0.2508 ( 1511 PWs) bands (ev): -8.3903 -8.3903 1.1395 1.1395 2.1462 2.1462 2.1913 2.1913 4.1703 4.1703 4.2322 4.2322 4.6758 4.6758 6.1355 6.1355 6.2828 6.2828 10.8261 10.8261 12.3694 12.3694 14.0351 14.0351 14.2571 14.2571 k = 0.5321 0.1959 0.2566 ( 1511 PWs) bands (ev): -8.3891 -8.3891 1.1579 1.1579 2.1502 2.1502 2.1957 2.1957 4.1670 4.1670 4.2307 4.2307 4.6729 4.6729 6.0843 6.0843 6.2624 6.2624 10.8954 10.8954 12.2776 12.2776 14.0787 14.0787 14.2954 14.2954 k = 0.5357 0.1856 0.2624 ( 1511 PWs) bands (ev): -8.3877 -8.3877 1.1783 1.1783 2.1545 2.1545 2.2007 2.2007 4.1633 4.1633 4.2291 4.2291 4.6699 4.6699 6.0292 6.0292 6.2401 6.2401 10.9693 10.9693 12.1855 12.1855 14.1244 14.1244 14.3324 14.3324 k = 0.5393 0.1753 0.2683 ( 1509 PWs) bands (ev): -8.3863 -8.3863 1.2006 1.2006 2.1591 2.1591 2.2063 2.2063 4.1591 4.1591 4.2275 4.2275 4.6666 4.6666 5.9707 5.9707 6.2161 6.2161 11.0460 11.0460 12.0950 12.0950 14.1713 14.1713 14.3681 14.3681 k = 0.5429 0.1650 0.2741 ( 1510 PWs) bands (ev): -8.3847 -8.3847 1.2249 1.2249 2.1638 2.1638 2.2125 2.2125 4.1545 4.1545 4.2259 4.2259 4.6631 4.6631 5.9094 5.9094 6.1903 6.1903 11.1229 11.1229 12.0087 12.0087 14.2181 14.2181 14.4036 14.4036 k = 0.5464 0.1546 0.2799 ( 1514 PWs) bands (ev): -8.3831 -8.3831 1.2510 1.2510 2.1685 2.1685 2.2194 2.2194 4.1495 4.1495 4.2242 4.2242 4.6595 4.6595 5.8460 5.8460 6.1627 6.1627 11.1960 11.1960 11.9308 11.9308 14.2624 14.2624 14.4409 14.4409 k = 0.5500 0.1443 0.2858 ( 1512 PWs) bands (ev): -8.3814 -8.3814 1.2788 1.2788 2.1734 2.1734 2.2270 2.2270 4.1440 4.1440 4.2225 4.2225 4.6558 4.6558 5.7809 5.7809 6.1337 6.1337 11.2576 11.2576 11.8687 11.8687 14.3012 14.3012 14.4829 14.4829 k = 0.5536 0.1340 0.2916 ( 1518 PWs) bands (ev): -8.3796 -8.3796 1.3084 1.3084 2.1781 2.1781 2.2351 2.2351 4.1381 4.1381 4.2207 4.2207 4.6520 4.6520 5.7146 5.7146 6.1031 6.1031 11.2956 11.2956 11.8345 11.8345 14.3320 14.3320 14.5320 14.5320 k = 0.5571 0.1237 0.2974 ( 1516 PWs) bands (ev): -8.3778 -8.3778 1.3396 1.3396 2.1828 2.1828 2.2440 2.2440 4.1320 4.1320 4.2190 4.2190 4.6482 4.6482 5.6478 5.6478 6.0711 6.0711 11.2974 11.2974 11.8405 11.8405 14.3542 14.3542 14.5891 14.5891 k = 0.5607 0.1134 0.3033 ( 1514 PWs) bands (ev): -8.3759 -8.3759 1.3723 1.3723 2.1873 2.1873 2.2536 2.2536 4.1254 4.1254 4.2171 4.2171 4.6445 4.6445 5.5807 5.5807 6.0378 6.0378 11.2626 11.2626 11.8869 11.8869 14.3687 14.3687 14.6532 14.6532 k = 0.5643 0.1031 0.3091 ( 1515 PWs) bands (ev): -8.3740 -8.3740 1.4064 1.4064 2.1915 2.1915 2.2638 2.2638 4.1185 4.1185 4.2152 4.2152 4.6408 4.6408 5.5138 5.5138 6.0034 6.0034 11.2027 11.2027 11.9619 11.9619 14.3771 14.3771 14.7229 14.7229 k = 0.5679 0.0928 0.3149 ( 1519 PWs) bands (ev): -8.3721 -8.3721 1.4419 1.4419 2.1953 2.1953 2.2747 2.2747 4.1113 4.1113 4.2133 4.2133 4.6371 4.6371 5.4477 5.4477 5.9678 5.9678 11.1291 11.1291 12.0537 12.0537 14.3810 14.3810 14.7969 14.7969 k = 0.5714 0.0825 0.3208 ( 1513 PWs) bands (ev): -8.3702 -8.3702 1.4786 1.4786 2.1988 2.1988 2.2862 2.2862 4.1038 4.1038 4.2112 4.2112 4.6337 4.6337 5.3827 5.3827 5.9313 5.9313 11.0486 11.0486 12.1553 12.1553 14.3815 14.3815 14.8741 14.8741 k = 0.5750 0.0722 0.3266 ( 1517 PWs) bands (ev): -8.3683 -8.3683 1.5165 1.5165 2.2017 2.2017 2.2983 2.2983 4.0960 4.0960 4.2090 4.2090 4.6304 4.6304 5.3193 5.3193 5.8939 5.8939 10.9649 10.9649 12.2624 12.2624 14.3795 14.3795 14.9540 14.9540 k = 0.5786 0.0619 0.3324 ( 1519 PWs) bands (ev): -8.3664 -8.3664 1.5553 1.5553 2.2040 2.2040 2.3111 2.3111 4.0880 4.0880 4.2066 4.2066 4.6273 4.6273 5.2579 5.2579 5.8557 5.8557 10.8799 10.8799 12.3727 12.3727 14.3757 14.3757 15.0359 15.0359 k = 0.5821 0.0515 0.3383 ( 1518 PWs) bands (ev): -8.3646 -8.3646 1.5951 1.5951 2.2056 2.2056 2.3244 2.3244 4.0797 4.0797 4.2041 4.2041 4.6245 4.6245 5.1989 5.1989 5.8168 5.8168 10.7949 10.7949 12.4844 12.4844 14.3710 14.3710 15.1192 15.1192 k = 0.5857 0.0412 0.3441 ( 1518 PWs) bands (ev): -8.3629 -8.3629 1.6356 1.6356 2.2064 2.2064 2.3382 2.3382 4.0711 4.0711 4.2014 4.2014 4.6220 4.6220 5.1427 5.1427 5.7772 5.7772 10.7106 10.7106 12.5963 12.5963 14.3659 14.3659 15.2034 15.2034 k = 0.5893 0.0309 0.3499 ( 1518 PWs) bands (ev): -8.3612 -8.3612 1.6768 1.6768 2.2062 2.2062 2.3526 2.3526 4.0624 4.0624 4.1985 4.1985 4.6197 4.6197 5.0897 5.0897 5.7372 5.7372 10.6275 10.6275 12.7072 12.7072 14.3611 14.3611 15.2882 15.2882 k = 0.5929 0.0206 0.3558 ( 1518 PWs) bands (ev): -8.3597 -8.3597 1.7184 1.7184 2.2050 2.2050 2.3675 2.3675 4.0534 4.0534 4.1954 4.1954 4.6176 4.6176 5.0402 5.0402 5.6968 5.6968 10.5460 10.5460 12.8161 12.8161 14.3572 14.3572 15.3729 15.3729 k = 0.5964 0.0103 0.3616 ( 1517 PWs) bands (ev): -8.3582 -8.3582 1.7605 1.7605 2.2026 2.2026 2.3829 2.3829 4.0442 4.0442 4.1922 4.1922 4.6157 4.6157 4.9948 4.9948 5.6560 5.6560 10.4662 10.4662 12.9221 12.9221 14.3547 14.3547 15.4573 15.4573 k = 0.6000 0.0000 0.3674 ( 1519 PWs) bands (ev): -8.3570 -8.3570 1.8029 1.8029 2.1989 2.1989 2.3988 2.3988 4.0348 4.0348 4.1890 4.1890 4.6138 4.6138 4.9536 4.9536 5.6149 5.6149 10.3884 10.3884 13.0241 13.0241 14.3543 14.3543 15.5408 15.5408 k = 0.6036-0.0103 0.3733 ( 1519 PWs) bands (ev): -8.3559 -8.3559 1.8454 1.8454 2.1938 2.1938 2.4152 2.4152 4.0253 4.0253 4.1856 4.1856 4.6119 4.6119 4.9171 4.9171 5.5737 5.5737 10.3128 10.3128 13.1210 13.1210 14.3564 14.3564 15.6229 15.6229 k = 0.6071-0.0206 0.3791 ( 1519 PWs) bands (ev): -8.3549 -8.3549 1.8879 1.8879 2.1873 2.1873 2.4319 2.4319 4.0156 4.0156 4.1823 4.1823 4.6099 4.6099 4.8856 4.8856 5.5324 5.5324 10.2395 10.2395 13.2120 13.2120 14.3616 14.3616 15.7033 15.7033 k = 0.6107-0.0309 0.3849 ( 1517 PWs) bands (ev): -8.3542 -8.3542 1.9304 1.9304 2.1791 2.1791 2.4492 2.4492 4.0057 4.0057 4.1792 4.1792 4.6075 4.6075 4.8594 4.8594 5.4911 5.4911 10.1687 10.1687 13.2961 13.2961 14.3702 14.3702 15.7815 15.7815 k = 0.6143-0.0412 0.3908 ( 1515 PWs) bands (ev): -8.3537 -8.3537 1.9727 1.9727 2.1694 2.1694 2.4669 2.4669 3.9957 3.9957 4.1763 4.1763 4.6045 4.6045 4.8385 4.8385 5.4499 5.4499 10.1005 10.1005 13.3725 13.3725 14.3823 14.3823 15.8571 15.8571 k = 0.6179-0.0515 0.3966 ( 1518 PWs) bands (ev): -8.3534 -8.3534 2.0145 2.0145 2.1582 2.1582 2.4850 2.4850 3.9854 3.9854 4.1737 4.1737 4.6008 4.6008 4.8232 4.8232 5.4088 5.4088 10.0351 10.0351 13.4407 13.4407 14.3978 14.3978 15.9298 15.9298 k = 0.6214-0.0619 0.4024 ( 1518 PWs) bands (ev): -8.3534 -8.3534 2.0555 2.0555 2.1459 2.1459 2.5035 2.5035 3.9750 3.9750 4.1717 4.1717 4.5966 4.5966 4.8131 4.8131 5.3680 5.3680 9.9726 9.9726 13.5007 13.5007 14.4162 14.4162 15.9991 15.9991 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.6190-0.0687 0.4180 ( 1519 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1356 2.1356 2.5220 2.5220 3.9652 3.9652 4.1703 4.1703 4.5917 4.5917 4.8072 4.8072 5.3266 5.3266 9.9163 9.9163 13.5536 13.5536 14.4360 14.4360 16.0521 16.0521 k = 0.6131-0.0653 0.4277 ( 1519 PWs) bands (ev): -8.3535 -8.3535 2.0931 2.0931 2.1368 2.1368 2.5206 2.5206 3.9671 3.9671 4.1704 4.1704 4.5913 4.5913 4.8044 4.8044 5.3239 5.3239 9.9258 9.9258 13.5569 13.5569 14.4335 14.4335 16.0151 16.0151 k = 0.6071-0.0619 0.4374 ( 1524 PWs) bands (ev): -8.3533 -8.3533 2.0934 2.0934 2.1389 2.1389 2.5184 2.5184 3.9703 3.9703 4.1706 4.1706 4.5906 4.5906 4.7997 4.7997 5.3195 5.3195 9.9414 9.9414 13.5624 13.5624 14.4294 14.4294 15.9569 15.9569 k = 0.6012-0.0584 0.4471 ( 1523 PWs) bands (ev): -8.3530 -8.3530 2.0938 2.0938 2.1418 2.1418 2.5152 2.5152 3.9746 3.9746 4.1709 4.1709 4.5897 4.5897 4.7933 4.7933 5.3136 5.3136 9.9628 9.9628 13.5702 13.5702 14.4238 14.4238 15.8814 15.8814 k = 0.5952-0.0550 0.4568 ( 1521 PWs) bands (ev): -8.3525 -8.3525 2.0943 2.0943 2.1455 2.1455 2.5112 2.5112 3.9801 3.9801 4.1713 4.1713 4.5885 4.5885 4.7851 4.7851 5.3065 5.3065 9.9895 9.9895 13.5803 13.5803 14.4166 14.4166 15.7927 15.7927 k = 0.5893-0.0515 0.4666 ( 1518 PWs) bands (ev): -8.3520 -8.3520 2.0948 2.0948 2.1501 2.1501 2.5062 2.5062 3.9863 3.9863 4.1720 4.1720 4.5871 4.5871 4.7754 4.7754 5.2984 5.2984 10.0210 10.0210 13.5929 13.5929 14.4080 14.4080 15.6945 15.6945 k = 0.5833-0.0481 0.4763 ( 1520 PWs) bands (ev): -8.3515 -8.3515 2.0955 2.0955 2.1555 2.1555 2.5003 2.5003 3.9933 3.9933 4.1728 4.1728 4.5855 4.5855 4.7641 4.7641 5.2896 5.2896 10.0567 10.0567 13.6081 13.6081 14.3980 14.3980 15.5898 15.5898 k = 0.5774-0.0447 0.4860 ( 1520 PWs) bands (ev): -8.3509 -8.3509 2.0962 2.0962 2.1618 2.1618 2.4935 2.4935 4.0007 4.0007 4.1740 4.1740 4.5837 4.5837 4.7516 4.7516 5.2804 5.2804 10.0957 10.0957 13.6261 13.6261 14.3867 14.3867 15.4812 15.4812 k = 0.5714-0.0412 0.4957 ( 1519 PWs) bands (ev): -8.3502 -8.3502 2.0969 2.0969 2.1689 2.1689 2.4858 2.4858 4.0083 4.0083 4.1756 4.1756 4.5817 4.5817 4.7381 4.7381 5.2710 5.2710 10.1373 10.1373 13.6470 13.6470 14.3742 14.3743 15.3705 15.3705 k = 0.5655-0.0378 0.5055 ( 1519 PWs) bands (ev): -8.3495 -8.3495 2.0978 2.0978 2.1769 2.1769 2.4772 2.4772 4.0159 4.0159 4.1777 4.1777 4.5796 4.5796 4.7238 4.7238 5.2618 5.2618 10.1806 10.1806 13.6710 13.6710 14.3608 14.3608 15.2594 15.2594 k = 0.5595-0.0344 0.5152 ( 1519 PWs) bands (ev): -8.3487 -8.3487 2.0987 2.0987 2.1856 2.1856 2.4676 2.4676 4.0231 4.0231 4.1804 4.1804 4.5773 4.5773 4.7091 4.7091 5.2529 5.2529 10.2246 10.2246 13.6983 13.6983 14.3463 14.3463 15.1493 15.1493 k = 0.5536-0.0309 0.5249 ( 1519 PWs) bands (ev): -8.3480 -8.3480 2.0997 2.0997 2.1952 2.1952 2.4570 2.4570 4.0296 4.0296 4.1837 4.1837 4.5750 4.5750 4.6944 4.6944 5.2445 5.2445 10.2684 10.2684 13.7292 13.7292 14.3311 14.3311 15.0412 15.0412 k = 0.5476-0.0275 0.5346 ( 1527 PWs) bands (ev): -8.3472 -8.3472 2.1007 2.1007 2.2055 2.2055 2.4454 2.4454 4.0352 4.0352 4.1875 4.1875 4.5726 4.5726 4.6801 4.6801 5.2367 5.2367 10.3110 10.3110 13.7638 13.7638 14.3152 14.3152 14.9362 14.9362 k = 0.5417-0.0241 0.5443 ( 1529 PWs) bands (ev): -8.3465 -8.3465 2.1019 2.1019 2.2167 2.2167 2.4329 2.4329 4.0400 4.0400 4.1919 4.1919 4.5704 4.5704 4.6665 4.6665 5.2296 5.2296 10.3514 10.3514 13.8023 13.8023 14.2988 14.2988 14.8351 14.8351 k = 0.5357-0.0206 0.5541 ( 1529 PWs) bands (ev): -8.3458 -8.3458 2.1031 2.1031 2.2285 2.2285 2.4195 2.4195 4.0437 4.0437 4.1966 4.1966 4.5683 4.5683 4.6540 4.6540 5.2234 5.2234 10.3887 10.3887 13.8449 13.8449 14.2820 14.2820 14.7387 14.7387 k = 0.5298-0.0172 0.5638 ( 1527 PWs) bands (ev): -8.3452 -8.3452 2.1045 2.1045 2.2410 2.2410 2.4052 2.4052 4.0465 4.0465 4.2014 4.2014 4.5665 4.5665 4.6430 4.6430 5.2180 5.2180 10.4219 10.4219 13.8916 13.8916 14.2650 14.2650 14.6478 14.6478 k = 0.5238-0.0137 0.5735 ( 1525 PWs) bands (ev): -8.3446 -8.3446 2.1058 2.1058 2.2541 2.2541 2.3902 2.3902 4.0483 4.0483 4.2059 4.2059 4.5650 4.5650 4.6336 4.6336 5.2135 5.2135 10.4502 10.4502 13.9419 13.9419 14.2480 14.2480 14.5634 14.5634 k = 0.5179-0.0103 0.5832 ( 1529 PWs) bands (ev): -8.3442 -8.3442 2.1072 2.1072 2.2676 2.2676 2.3748 2.3748 4.0495 4.0495 4.2097 4.2097 4.5639 4.5639 4.6260 4.6260 5.2099 5.2099 10.4730 10.4730 13.9948 13.9948 14.2314 14.2314 14.4866 14.4866 k = 0.5119-0.0069 0.5929 ( 1540 PWs) bands (ev): -8.3438 -8.3438 2.1084 2.1084 2.2810 2.2810 2.3596 2.3596 4.0500 4.0500 4.2126 4.2126 4.5632 4.5632 4.6205 4.6205 5.2073 5.2073 10.4897 10.4897 14.0476 14.0476 14.2165 14.2165 14.4197 14.4197 k = 0.5060-0.0034 0.6027 ( 1540 PWs) bands (ev): -8.3436 -8.3436 2.1094 2.1094 2.2930 2.2930 2.3463 2.3463 4.0503 4.0503 4.2145 4.2145 4.5629 4.5629 4.6171 4.6171 5.2057 5.2057 10.4998 10.4998 14.0917 14.0917 14.2068 14.2068 14.3678 14.3678 k = 0.5000 0.0000 0.6124 ( 1540 PWs) bands (ev): -8.3435 -8.3435 2.1098 2.1098 2.2987 2.2987 2.3400 2.3400 4.0503 4.0503 4.2152 4.2152 4.5628 4.5628 4.6160 4.6160 5.2052 5.2052 10.5032 10.5032 14.1091 14.1091 14.2062 14.2062 14.3452 14.3452 k = 0.5000 0.0000 0.6124 ( 1540 PWs) bands (ev): -8.3435 -8.3435 2.1098 2.1098 2.2987 2.2987 2.3400 2.3400 4.0503 4.0503 4.2152 4.2152 4.5628 4.5628 4.6160 4.6160 5.2052 5.2052 10.5032 10.5032 14.1091 14.1091 14.2062 14.2062 14.3452 14.3452 k = 0.5000 0.0070 0.6024 ( 1540 PWs) bands (ev): -8.3436 -8.3436 2.1067 2.1067 2.2991 2.2991 2.3400 2.3400 4.0505 4.0505 4.2147 4.2147 4.5632 4.5632 4.6184 4.6184 5.2075 5.2075 10.5050 10.5050 14.0768 14.0768 14.1984 14.1984 14.3830 14.3830 k = 0.5000 0.0141 0.5925 ( 1540 PWs) bands (ev): -8.3438 -8.3438 2.0977 2.0977 2.3000 2.3000 2.3401 2.3401 4.0512 4.0512 4.2133 4.2133 4.5644 4.5644 4.6254 4.6254 5.2147 5.2147 10.5104 10.5104 13.9999 13.9999 14.1942 14.1942 14.4571 14.4571 k = 0.5000 0.0211 0.5825 ( 1528 PWs) bands (ev): -8.3442 -8.3442 2.0833 2.0833 2.3009 2.3009 2.3404 2.3404 4.0523 4.0523 4.2113 4.2113 4.5663 4.5663 4.6371 4.6371 5.2265 5.2265 10.5194 10.5194 13.9056 13.9056 14.1956 14.1956 14.5381 14.5381 k = 0.5000 0.0282 0.5725 ( 1530 PWs) bands (ev): -8.3447 -8.3447 2.0642 2.0642 2.3012 2.3012 2.3407 2.3407 4.0537 4.0537 4.2086 4.2086 4.5687 4.5687 4.6531 4.6531 5.2427 5.2427 10.5320 10.5320 13.8043 13.8043 14.1998 14.1998 14.6182 14.6182 k = 0.5000 0.0352 0.5626 ( 1528 PWs) bands (ev): -8.3454 -8.3454 2.0412 2.0412 2.3007 2.3007 2.3410 2.3410 4.0555 4.0555 4.2058 4.2058 4.5716 4.5716 4.6734 4.6734 5.2633 5.2633 10.5483 10.5483 13.6992 13.6992 14.2058 14.2058 14.6945 14.6945 k = 0.5000 0.0422 0.5526 ( 1528 PWs) bands (ev): -8.3462 -8.3462 2.0148 2.0148 2.2991 2.2991 2.3412 2.3412 4.0576 4.0576 4.2029 4.2029 4.5748 4.5748 4.6976 4.6976 5.2879 5.2879 10.5681 10.5681 13.5917 13.5917 14.2134 14.2134 14.7654 14.7654 k = 0.5000 0.0493 0.5427 ( 1520 PWs) bands (ev): -8.3471 -8.3471 1.9856 1.9856 2.2965 2.2965 2.3410 2.3410 4.0600 4.0600 4.2002 4.2002 4.5783 4.5783 4.7258 4.7258 5.3163 5.3163 10.5917 10.5917 13.4826 13.4826 14.2223 14.2223 14.8297 14.8297 k = 0.5000 0.0563 0.5327 ( 1518 PWs) bands (ev): -8.3482 -8.3482 1.9541 1.9541 2.2929 2.2929 2.3402 2.3402 4.0626 4.0626 4.1979 4.1979 4.5819 4.5819 4.7575 4.7575 5.3480 5.3480 10.6189 10.6189 13.3722 13.3722 14.2323 14.2323 14.8865 14.8865 k = 0.5000 0.0634 0.5228 ( 1518 PWs) bands (ev): -8.3494 -8.3494 1.9205 1.9205 2.2886 2.2886 2.3387 2.3387 4.0654 4.0654 4.1960 4.1960 4.5856 4.5856 4.7926 4.7926 5.3828 5.3828 10.6498 10.6498 13.2610 13.2610 14.2434 14.2434 14.9347 14.9347 k = 0.5000 0.0704 0.5128 ( 1516 PWs) bands (ev): -8.3507 -8.3507 1.8854 1.8854 2.2837 2.2837 2.3363 2.3363 4.0685 4.0685 4.1948 4.1948 4.5894 4.5894 4.8310 4.8310 5.4203 5.4203 10.6844 10.6844 13.1492 13.1492 14.2553 14.2553 14.9737 14.9737 k = 0.5000 0.0774 0.5028 ( 1522 PWs) bands (ev): -8.3522 -8.3522 1.8489 1.8489 2.2782 2.2782 2.3331 2.3331 4.0716 4.0716 4.1940 4.1940 4.5932 4.5932 4.8724 4.8724 5.4599 5.4599 10.7228 10.7228 13.0369 13.0369 14.2679 14.2679 15.0027 15.0027 k = 0.5000 0.0845 0.4929 ( 1522 PWs) bands (ev): -8.3537 -8.3537 1.8113 1.8113 2.2723 2.2723 2.3291 2.3291 4.0751 4.0751 4.1939 4.1939 4.5970 4.5970 4.9168 4.9168 5.5015 5.5015 10.7649 10.7649 12.9244 12.9244 14.2810 14.2810 15.0213 15.0213 k = 0.5000 0.0915 0.4829 ( 1518 PWs) bands (ev): -8.3553 -8.3553 1.7731 1.7731 2.2661 2.2661 2.3244 2.3244 4.0788 4.0788 4.1943 4.1943 4.6009 4.6009 4.9640 4.9640 5.5445 5.5445 10.8107 10.8107 12.8118 12.8118 14.2944 14.2944 15.0292 15.0292 k = 0.5000 0.0986 0.4730 ( 1518 PWs) bands (ev): -8.3571 -8.3571 1.7343 1.7343 2.2596 2.2596 2.3189 2.3189 4.0826 4.0826 4.1952 4.1952 4.6047 4.6047 5.0137 5.0137 5.5886 5.5886 10.8603 10.8603 12.6993 12.6993 14.3078 14.3078 15.0267 15.0267 k = 0.5000 0.1056 0.4630 ( 1520 PWs) bands (ev): -8.3588 -8.3588 1.6952 1.6952 2.2530 2.2530 2.3128 2.3128 4.0867 4.0867 4.1965 4.1965 4.6085 4.6085 5.0658 5.0658 5.6335 5.6335 10.9136 10.9136 12.5870 12.5870 14.3209 14.3209 15.0139 15.0139 k = 0.5000 0.1127 0.4531 ( 1526 PWs) bands (ev): -8.3607 -8.3607 1.6561 1.6561 2.2462 2.2462 2.3061 2.3061 4.0910 4.0910 4.1981 4.1981 4.6124 4.6124 5.1201 5.1201 5.6787 5.6787 10.9705 10.9705 12.4751 12.4751 14.3335 14.3335 14.9916 14.9916 k = 0.5000 0.1197 0.4431 ( 1526 PWs) bands (ev): -8.3626 -8.3626 1.6172 1.6172 2.2393 2.2393 2.2990 2.2990 4.0956 4.0956 4.2000 4.2000 4.6163 4.6163 5.1765 5.1765 5.7240 5.7240 11.0311 11.0311 12.3636 12.3636 14.3452 14.3452 14.9606 14.9606 k = 0.5000 0.1267 0.4331 ( 1524 PWs) bands (ev): -8.3645 -8.3645 1.5786 1.5786 2.2324 2.2324 2.2916 2.2916 4.1003 4.1003 4.2021 4.2021 4.6203 4.6203 5.2348 5.2348 5.7691 5.7691 11.0953 11.0953 12.2529 12.2529 14.3557 14.3557 14.9221 14.9221 k = 0.5000 0.1338 0.4232 ( 1526 PWs) bands (ev): -8.3665 -8.3665 1.5405 1.5405 2.2255 2.2255 2.2839 2.2839 4.1053 4.1053 4.2043 4.2043 4.6242 4.6242 5.2947 5.2947 5.8137 5.8137 11.1629 11.1629 12.1430 12.1430 14.3645 14.3645 14.8772 14.8772 k = 0.5000 0.1408 0.4132 ( 1526 PWs) bands (ev): -8.3684 -8.3684 1.5032 1.5032 2.2187 2.2187 2.2761 2.2761 4.1104 4.1104 4.2065 4.2065 4.6283 4.6283 5.3560 5.3560 5.8575 5.8575 11.2338 11.2338 12.0342 12.0342 14.3711 14.3711 14.8274 14.8274 k = 0.5000 0.1479 0.4033 ( 1528 PWs) bands (ev): -8.3704 -8.3704 1.4667 1.4667 2.2120 2.2120 2.2682 2.2682 4.1155 4.1155 4.2088 4.2088 4.6323 4.6323 5.4185 5.4185 5.9003 5.9003 11.3078 11.3078 11.9267 11.9267 14.3750 14.3750 14.7740 14.7740 k = 0.5000 0.1549 0.3933 ( 1522 PWs) bands (ev): -8.3724 -8.3724 1.4312 1.4312 2.2054 2.2054 2.2602 2.2602 4.1208 4.1208 4.2112 4.2112 4.6364 4.6364 5.4820 5.4820 5.9420 5.9420 11.3843 11.3843 11.8213 11.8213 14.3754 14.3754 14.7185 14.7185 k = 0.5000 0.1619 0.3834 ( 1522 PWs) bands (ev): -8.3743 -8.3743 1.3969 1.3969 2.1989 2.1989 2.2523 2.2523 4.1262 4.1262 4.2134 4.2134 4.6404 4.6404 5.5460 5.5460 5.9823 5.9823 11.4619 11.4619 11.7195 11.7195 14.3716 14.3716 14.6624 14.6624 k = 0.5000 0.1690 0.3734 ( 1516 PWs) bands (ev): -8.3762 -8.3762 1.3638 1.3638 2.1925 2.1925 2.2447 2.2447 4.1315 4.1315 4.2157 4.2157 4.6445 4.6445 5.6104 5.6104 6.0211 6.0211 11.5285 11.5285 11.6333 11.6333 14.3623 14.3623 14.6076 14.6076 k = 0.5000 0.1760 0.3634 ( 1510 PWs) bands (ev): -8.3781 -8.3781 1.3320 1.3320 2.1864 2.1864 2.2372 2.2372 4.1368 4.1368 4.2179 4.2179 4.6485 4.6485 5.6749 5.6749 6.0581 6.0581 11.4932 11.4932 11.6536 11.6536 14.3463 14.3463 14.5558 14.5558 k = 0.5000 0.1831 0.3535 ( 1516 PWs) bands (ev): -8.3799 -8.3799 1.3017 1.3017 2.1804 2.1804 2.2299 2.2299 4.1419 4.1419 4.2199 4.2199 4.6524 4.6524 5.7390 5.7390 6.0934 6.0934 11.4019 11.4019 11.7347 11.7347 14.3224 14.3224 14.5088 14.5088 k = 0.5000 0.1901 0.3435 ( 1514 PWs) bands (ev): -8.3817 -8.3817 1.2730 1.2730 2.1747 2.1747 2.2230 2.2230 4.1468 4.1468 4.2219 4.2219 4.6563 4.6563 5.8024 5.8024 6.1268 6.1268 11.3082 11.3082 11.8231 11.8231 14.2901 14.2901 14.4673 14.4673 k = 0.5000 0.1971 0.3336 ( 1514 PWs) bands (ev): -8.3834 -8.3834 1.2459 1.2459 2.1691 2.1691 2.2165 2.2165 4.1516 4.1516 4.2239 4.2239 4.6600 4.6600 5.8647 5.8647 6.1581 6.1581 11.2166 11.2166 11.9142 11.9142 14.2510 14.2510 14.4305 14.4305 k = 0.5000 0.2042 0.3236 ( 1514 PWs) bands (ev): -8.3850 -8.3850 1.2206 1.2206 2.1639 2.1639 2.2104 2.2104 4.1561 4.1561 4.2257 4.2257 4.6636 4.6636 5.9254 5.9254 6.1875 6.1875 11.1281 11.1281 12.0069 12.0069 14.2074 14.2074 14.3961 14.3961 k = 0.5000 0.2112 0.3137 ( 1510 PWs) bands (ev): -8.3865 -8.3865 1.1970 1.1970 2.1589 2.1589 2.2048 2.2048 4.1603 4.1603 4.2275 4.2275 4.6671 4.6671 5.9841 5.9841 6.2147 6.2147 11.0436 11.0436 12.1005 12.1005 14.1620 14.1620 14.3621 14.3621 k = 0.5000 0.2183 0.3037 ( 1512 PWs) bands (ev): -8.3879 -8.3879 1.1753 1.1753 2.1542 2.1542 2.1996 2.1996 4.1641 4.1641 4.2292 4.2292 4.6703 4.6703 6.0401 6.0401 6.2398 6.2398 10.9637 10.9637 12.1942 12.1942 14.1165 14.1165 14.3271 14.3271 k = 0.5000 0.2253 0.2937 ( 1514 PWs) bands (ev): -8.3892 -8.3892 1.1554 1.1554 2.1498 2.1498 2.1949 2.1949 4.1676 4.1676 4.2308 4.2308 4.6733 4.6733 6.0931 6.0931 6.2627 6.2627 10.8888 10.8888 12.2873 12.2873 14.0722 14.0722 14.2906 14.2906 k = 0.5000 0.2323 0.2838 ( 1512 PWs) bands (ev): -8.3904 -8.3904 1.1376 1.1376 2.1459 2.1459 2.1907 2.1907 4.1708 4.1708 4.2323 4.2323 4.6761 4.6761 6.1423 6.1423 6.2834 6.2834 10.8197 10.8197 12.3788 12.3788 14.0299 14.0299 14.2527 14.2527 k = 0.5000 0.2394 0.2738 ( 1510 PWs) bands (ev): -8.3915 -8.3915 1.1217 1.1217 2.1423 2.1423 2.1870 2.1870 4.1735 4.1735 4.2337 4.2337 4.6786 4.6786 6.1873 6.1873 6.3021 6.3021 10.7569 10.7569 12.4676 12.4676 13.9898 13.9898 14.2139 14.2139 k = 0.5000 0.2464 0.2639 ( 1512 PWs) bands (ev): -8.3924 -8.3924 1.1079 1.1079 2.1391 2.1391 2.1838 2.1838 4.1758 4.1758 4.2350 4.2350 4.6808 4.6808 6.2272 6.2272 6.3188 6.3188 10.7009 10.7009 12.5524 12.5524 13.9522 13.9522 14.1754 14.1754 k = 0.5000 0.2535 0.2539 ( 1512 PWs) bands (ev): -8.3932 -8.3932 1.0962 1.0962 2.1363 2.1363 2.1811 2.1811 4.1778 4.1778 4.2361 4.2361 4.6827 4.6827 6.2613 6.2613 6.3337 6.3337 10.6524 10.6524 12.6314 12.6314 13.9173 13.9173 14.1388 14.1388 k = 0.5000 0.2605 0.2440 ( 1516 PWs) bands (ev): -8.3939 -8.3939 1.0865 1.0865 2.1340 2.1340 2.1789 2.1789 4.1793 4.1793 4.2371 4.2371 4.6843 4.6843 6.2890 6.2890 6.3469 6.3469 10.6119 10.6119 12.7025 12.7025 13.8854 13.8854 14.1057 14.1057 k = 0.5000 0.2676 0.2340 ( 1510 PWs) bands (ev): -8.3944 -8.3944 1.0790 1.0790 2.1322 2.1322 2.1772 2.1772 4.1806 4.1806 4.2379 4.2379 4.6855 4.6855 6.3098 6.3098 6.3585 6.3585 10.5798 10.5798 12.7628 12.7628 13.8574 13.8574 14.0781 14.0781 k = 0.5000 0.2746 0.2240 ( 1504 PWs) bands (ev): -8.3948 -8.3948 1.0736 1.0736 2.1309 2.1309 2.1760 2.1760 4.1815 4.1815 4.2385 4.2385 4.6865 4.6865 6.3237 6.3237 6.3680 6.3680 10.5566 10.5566 12.8094 12.8094 13.8350 13.8350 14.0573 14.0573 k = 0.5000 0.2816 0.2141 ( 1502 PWs) bands (ev): -8.3950 -8.3950 1.0704 1.0704 2.1302 2.1302 2.1753 2.1753 4.1820 4.1820 4.2389 4.2389 4.6870 4.6870 6.3315 6.3315 6.3744 6.3744 10.5426 10.5426 12.8391 12.8391 13.8202 13.8202 14.0445 14.0445 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.3951 -8.3951 1.0693 1.0693 2.1299 2.1299 2.1751 2.1751 4.1822 4.1822 4.2390 4.2390 4.6872 4.6872 6.3339 6.3339 6.3767 6.3767 10.5379 10.5379 12.8493 12.8493 13.8150 13.8150 14.0401 14.0401 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.3951 -8.3951 1.0693 1.0693 2.1299 2.1299 2.1751 2.1751 4.1822 4.1822 4.2390 4.2390 4.6872 4.6872 6.3339 6.3339 6.3767 6.3767 10.5379 10.5379 12.8493 12.8493 13.8150 13.8150 14.0401 14.0401 k = 0.4964 0.2866 0.2158 ( 1502 PWs) bands (ev): -8.3950 -8.3950 1.0704 1.0704 2.1302 2.1302 2.1753 2.1753 4.1820 4.1820 4.2389 4.2389 4.6870 4.6870 6.3314 6.3314 6.3744 6.3744 10.5427 10.5427 12.8388 12.8388 13.8203 13.8203 14.0446 14.0446 k = 0.4929 0.2846 0.2275 ( 1502 PWs) bands (ev): -8.3948 -8.3948 1.0737 1.0737 2.1310 2.1310 2.1761 2.1761 4.1815 4.1815 4.2385 4.2385 4.6865 4.6865 6.3234 6.3234 6.3678 6.3678 10.5572 10.5572 12.8083 12.8083 13.8355 13.8355 14.0578 14.0578 k = 0.4893 0.2825 0.2391 ( 1512 PWs) bands (ev): -8.3944 -8.3944 1.0793 1.0793 2.1323 2.1323 2.1773 2.1773 4.1805 4.1805 4.2379 4.2379 4.6855 4.6855 6.3090 6.3090 6.3580 6.3580 10.5811 10.5811 12.7605 12.7605 13.8585 13.8585 14.0791 14.0791 k = 0.4857 0.2804 0.2508 ( 1512 PWs) bands (ev): -8.3938 -8.3938 1.0870 1.0870 2.1341 2.1341 2.1790 2.1790 4.1793 4.1793 4.2371 4.2371 4.6842 4.6842 6.2875 6.2875 6.3462 6.3462 10.6140 10.6140 12.6986 12.6986 13.8872 13.8872 14.1075 14.1075 k = 0.4821 0.2784 0.2624 ( 1510 PWs) bands (ev): -8.3932 -8.3932 1.0969 1.0969 2.1365 2.1365 2.1813 2.1813 4.1777 4.1777 4.2361 4.2361 4.6826 4.6826 6.2589 6.2589 6.3328 6.3328 10.6556 10.6556 12.6260 12.6260 13.9198 13.9198 14.1413 14.1413 k = 0.4786 0.2763 0.2741 ( 1510 PWs) bands (ev): -8.3923 -8.3923 1.1090 1.1090 2.1393 2.1393 2.1841 2.1841 4.1756 4.1756 4.2349 4.2349 4.6806 4.6806 6.2235 6.2235 6.3179 6.3179 10.7053 10.7053 12.5454 12.5454 13.9555 13.9555 14.1787 14.1787 k = 0.4750 0.2742 0.2858 ( 1509 PWs) bands (ev): -8.3914 -8.3914 1.1232 1.1232 2.1426 2.1426 2.1874 2.1874 4.1732 4.1732 4.2336 4.2336 4.6784 4.6784 6.1821 6.1821 6.3013 6.3013 10.7623 10.7623 12.4593 12.4593 13.9940 13.9940 14.2178 14.2178 k = 0.4714 0.2722 0.2974 ( 1511 PWs) bands (ev): -8.3903 -8.3903 1.1395 1.1395 2.1462 2.1462 2.1913 2.1913 4.1703 4.1703 4.2322 4.2322 4.6758 4.6758 6.1355 6.1355 6.2828 6.2828 10.8261 10.8261 12.3694 12.3694 14.0351 14.0351 14.2571 14.2571 k = 0.4679 0.2701 0.3091 ( 1511 PWs) bands (ev): -8.3891 -8.3891 1.1579 1.1579 2.1502 2.1502 2.1957 2.1957 4.1670 4.1670 4.2307 4.2307 4.6729 4.6729 6.0843 6.0843 6.2624 6.2624 10.8954 10.8954 12.2776 12.2776 14.0787 14.0787 14.2954 14.2954 k = 0.4643 0.2681 0.3208 ( 1511 PWs) bands (ev): -8.3877 -8.3877 1.1783 1.1783 2.1545 2.1545 2.2007 2.2007 4.1633 4.1633 4.2291 4.2291 4.6699 4.6699 6.0292 6.0292 6.2401 6.2401 10.9693 10.9693 12.1855 12.1855 14.1244 14.1244 14.3324 14.3324 k = 0.4607 0.2660 0.3324 ( 1509 PWs) bands (ev): -8.3863 -8.3863 1.2006 1.2006 2.1591 2.1591 2.2063 2.2063 4.1591 4.1591 4.2275 4.2275 4.6666 4.6666 5.9707 5.9707 6.2161 6.2161 11.0460 11.0460 12.0950 12.0950 14.1713 14.1713 14.3681 14.3681 k = 0.4571 0.2639 0.3441 ( 1510 PWs) bands (ev): -8.3847 -8.3847 1.2249 1.2249 2.1638 2.1638 2.2125 2.2125 4.1545 4.1545 4.2259 4.2259 4.6631 4.6631 5.9094 5.9094 6.1903 6.1903 11.1229 11.1229 12.0087 12.0087 14.2181 14.2181 14.4036 14.4036 k = 0.4536 0.2619 0.3558 ( 1514 PWs) bands (ev): -8.3831 -8.3831 1.2510 1.2510 2.1685 2.1685 2.2194 2.2194 4.1495 4.1495 4.2242 4.2242 4.6595 4.6595 5.8460 5.8460 6.1627 6.1627 11.1960 11.1960 11.9308 11.9308 14.2624 14.2624 14.4409 14.4409 k = 0.4500 0.2598 0.3674 ( 1512 PWs) bands (ev): -8.3814 -8.3814 1.2788 1.2788 2.1734 2.1734 2.2270 2.2270 4.1440 4.1440 4.2225 4.2225 4.6558 4.6558 5.7809 5.7809 6.1337 6.1337 11.2576 11.2576 11.8687 11.8687 14.3012 14.3012 14.4829 14.4829 k = 0.4464 0.2577 0.3791 ( 1518 PWs) bands (ev): -8.3796 -8.3796 1.3084 1.3084 2.1781 2.1781 2.2351 2.2351 4.1381 4.1381 4.2207 4.2207 4.6520 4.6520 5.7146 5.7146 6.1031 6.1031 11.2956 11.2956 11.8345 11.8345 14.3320 14.3320 14.5320 14.5320 k = 0.4429 0.2557 0.3908 ( 1516 PWs) bands (ev): -8.3778 -8.3778 1.3396 1.3396 2.1828 2.1828 2.2440 2.2440 4.1320 4.1320 4.2190 4.2190 4.6482 4.6482 5.6478 5.6478 6.0711 6.0711 11.2974 11.2974 11.8405 11.8405 14.3542 14.3542 14.5891 14.5891 k = 0.4393 0.2536 0.4024 ( 1514 PWs) bands (ev): -8.3759 -8.3759 1.3723 1.3723 2.1873 2.1873 2.2536 2.2536 4.1254 4.1254 4.2171 4.2171 4.6445 4.6445 5.5807 5.5807 6.0378 6.0378 11.2626 11.2626 11.8869 11.8869 14.3687 14.3687 14.6532 14.6532 k = 0.4357 0.2516 0.4141 ( 1515 PWs) bands (ev): -8.3740 -8.3740 1.4064 1.4064 2.1915 2.1915 2.2638 2.2638 4.1185 4.1185 4.2152 4.2152 4.6408 4.6408 5.5138 5.5138 6.0034 6.0034 11.2027 11.2027 11.9619 11.9619 14.3771 14.3771 14.7229 14.7229 k = 0.4321 0.2495 0.4257 ( 1519 PWs) bands (ev): -8.3721 -8.3721 1.4419 1.4419 2.1953 2.1953 2.2747 2.2747 4.1113 4.1113 4.2133 4.2133 4.6371 4.6371 5.4477 5.4477 5.9678 5.9678 11.1291 11.1291 12.0537 12.0537 14.3810 14.3810 14.7969 14.7969 k = 0.4286 0.2474 0.4374 ( 1513 PWs) bands (ev): -8.3702 -8.3702 1.4786 1.4786 2.1988 2.1988 2.2862 2.2862 4.1038 4.1038 4.2112 4.2112 4.6337 4.6337 5.3827 5.3827 5.9313 5.9313 11.0486 11.0486 12.1553 12.1553 14.3815 14.3815 14.8741 14.8741 k = 0.4250 0.2454 0.4491 ( 1517 PWs) bands (ev): -8.3683 -8.3683 1.5165 1.5165 2.2017 2.2017 2.2983 2.2983 4.0960 4.0960 4.2090 4.2090 4.6304 4.6304 5.3193 5.3193 5.8939 5.8939 10.9649 10.9649 12.2624 12.2624 14.3795 14.3795 14.9540 14.9540 k = 0.4214 0.2433 0.4607 ( 1519 PWs) bands (ev): -8.3664 -8.3664 1.5553 1.5553 2.2040 2.2040 2.3111 2.3111 4.0880 4.0880 4.2066 4.2066 4.6273 4.6273 5.2579 5.2579 5.8557 5.8557 10.8799 10.8799 12.3727 12.3727 14.3757 14.3757 15.0359 15.0359 k = 0.4179 0.2412 0.4724 ( 1518 PWs) bands (ev): -8.3646 -8.3646 1.5951 1.5951 2.2056 2.2056 2.3244 2.3244 4.0797 4.0797 4.2041 4.2041 4.6245 4.6245 5.1989 5.1989 5.8168 5.8168 10.7949 10.7949 12.4844 12.4844 14.3710 14.3710 15.1192 15.1192 k = 0.4143 0.2392 0.4841 ( 1518 PWs) bands (ev): -8.3629 -8.3629 1.6356 1.6356 2.2064 2.2064 2.3382 2.3382 4.0711 4.0711 4.2014 4.2014 4.6220 4.6220 5.1427 5.1427 5.7772 5.7772 10.7106 10.7106 12.5963 12.5963 14.3659 14.3659 15.2034 15.2034 k = 0.4107 0.2371 0.4957 ( 1518 PWs) bands (ev): -8.3612 -8.3612 1.6768 1.6768 2.2062 2.2062 2.3526 2.3526 4.0624 4.0624 4.1985 4.1985 4.6197 4.6197 5.0897 5.0897 5.7372 5.7372 10.6275 10.6275 12.7072 12.7072 14.3611 14.3611 15.2882 15.2882 k = 0.4071 0.2351 0.5074 ( 1518 PWs) bands (ev): -8.3597 -8.3597 1.7184 1.7184 2.2050 2.2050 2.3675 2.3675 4.0534 4.0534 4.1954 4.1954 4.6176 4.6176 5.0402 5.0402 5.6968 5.6968 10.5460 10.5460 12.8161 12.8161 14.3572 14.3572 15.3729 15.3729 k = 0.4036 0.2330 0.5191 ( 1517 PWs) bands (ev): -8.3582 -8.3582 1.7605 1.7605 2.2026 2.2026 2.3829 2.3829 4.0442 4.0442 4.1922 4.1922 4.6157 4.6157 4.9948 4.9948 5.6560 5.6560 10.4662 10.4662 12.9221 12.9221 14.3547 14.3547 15.4573 15.4573 k = 0.4000 0.2309 0.5307 ( 1519 PWs) bands (ev): -8.3570 -8.3570 1.8029 1.8029 2.1989 2.1989 2.3988 2.3988 4.0348 4.0348 4.1890 4.1890 4.6138 4.6138 4.9536 4.9536 5.6149 5.6149 10.3884 10.3884 13.0241 13.0241 14.3543 14.3543 15.5408 15.5408 k = 0.3964 0.2289 0.5424 ( 1519 PWs) bands (ev): -8.3559 -8.3559 1.8454 1.8454 2.1938 2.1938 2.4152 2.4152 4.0253 4.0253 4.1856 4.1856 4.6119 4.6119 4.9171 4.9171 5.5737 5.5737 10.3128 10.3128 13.1210 13.1210 14.3564 14.3564 15.6229 15.6229 k = 0.3929 0.2268 0.5541 ( 1519 PWs) bands (ev): -8.3549 -8.3549 1.8879 1.8879 2.1873 2.1873 2.4319 2.4319 4.0156 4.0156 4.1823 4.1823 4.6099 4.6099 4.8856 4.8856 5.5324 5.5324 10.2395 10.2395 13.2120 13.2120 14.3616 14.3616 15.7033 15.7033 k = 0.3893 0.2248 0.5657 ( 1517 PWs) bands (ev): -8.3542 -8.3542 1.9304 1.9304 2.1791 2.1791 2.4492 2.4492 4.0057 4.0057 4.1792 4.1792 4.6075 4.6075 4.8594 4.8594 5.4911 5.4911 10.1687 10.1687 13.2961 13.2961 14.3702 14.3702 15.7815 15.7815 k = 0.3857 0.2227 0.5774 ( 1515 PWs) bands (ev): -8.3537 -8.3537 1.9727 1.9727 2.1694 2.1694 2.4669 2.4669 3.9957 3.9957 4.1763 4.1763 4.6045 4.6045 4.8385 4.8385 5.4499 5.4499 10.1005 10.1005 13.3725 13.3725 14.3823 14.3823 15.8571 15.8571 k = 0.3821 0.2206 0.5890 ( 1518 PWs) bands (ev): -8.3534 -8.3534 2.0145 2.0145 2.1582 2.1582 2.4850 2.4850 3.9854 3.9854 4.1737 4.1737 4.6008 4.6008 4.8232 4.8232 5.4088 5.4088 10.0351 10.0351 13.4407 13.4407 14.3978 14.3978 15.9298 15.9298 k = 0.3786 0.2186 0.6007 ( 1518 PWs) bands (ev): -8.3534 -8.3534 2.0555 2.0555 2.1459 2.1459 2.5035 2.5035 3.9750 3.9750 4.1717 4.1717 4.5966 4.5966 4.8131 4.8131 5.3680 5.3680 9.9726 9.9726 13.5007 13.5007 14.4162 14.4162 15.9991 15.9991 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3537 -8.3537 2.0929 2.0929 2.1351 2.1351 2.5224 2.5224 3.9645 3.9645 4.1703 4.1703 4.5919 4.5919 4.8082 4.8082 5.3276 5.3276 9.9131 9.9131 13.5525 13.5525 14.4368 14.4368 16.0648 16.0648 k = 0.6190-0.0825 0.4082 ( 1520 PWs) bands (ev): -8.3545 -8.3545 2.1162 2.1162 2.1559 2.1559 2.5550 2.5550 3.9465 3.9465 4.1683 4.1683 4.5837 4.5837 4.8035 4.8035 5.2603 5.2603 9.8174 9.8174 13.6303 13.6303 14.4726 14.4726 16.1719 16.1719 k = 0.6131-0.0928 0.4082 ( 1524 PWs) bands (ev): -8.3556 -8.3556 2.1047 2.1047 2.2138 2.2138 2.5889 2.5889 3.9280 3.9280 4.1657 4.1657 4.5755 4.5755 4.7980 4.7980 5.1930 5.1930 9.7235 9.7235 13.7039 13.7039 14.5085 14.5085 16.2803 16.2803 k = 0.6071-0.1031 0.4082 ( 1518 PWs) bands (ev): -8.3567 -8.3567 2.0926 2.0926 2.2746 2.2746 2.6243 2.6243 3.9091 3.9091 4.1628 4.1628 4.5674 4.5674 4.7921 4.7921 5.1259 5.1259 9.6317 9.6317 13.7729 13.7729 14.5446 14.5446 16.3894 16.3894 k = 0.6012-0.1134 0.4082 ( 1522 PWs) bands (ev): -8.3581 -8.3581 2.0809 2.0809 2.3370 2.3370 2.6609 2.6609 3.8895 3.8895 4.1593 4.1593 4.5591 4.5591 4.7854 4.7854 5.0594 5.0594 9.5423 9.5423 13.8373 13.8373 14.5804 14.5804 16.4989 16.4989 k = 0.5952-0.1237 0.4082 ( 1522 PWs) bands (ev): -8.3595 -8.3595 2.0698 2.0698 2.4005 2.4005 2.6987 2.6987 3.8696 3.8696 4.1553 4.1553 4.5505 4.5505 4.7782 4.7782 4.9939 4.9939 9.4555 9.4555 13.8969 13.8969 14.6158 14.6158 16.6081 16.6081 k = 0.5893-0.1340 0.4082 ( 1518 PWs) bands (ev): -8.3611 -8.3611 2.0593 2.0593 2.4649 2.4649 2.7376 2.7376 3.8493 3.8493 4.1508 4.1508 4.5413 4.5413 4.7703 4.7703 4.9299 4.9299 9.3717 9.3717 13.9516 13.9516 14.6506 14.6506 16.7165 16.7165 k = 0.5833-0.1443 0.4082 ( 1518 PWs) bands (ev): -8.3627 -8.3627 2.0495 2.0495 2.5298 2.5298 2.7775 2.7775 3.8284 3.8284 4.1458 4.1458 4.5310 4.5310 4.7619 4.7619 4.8682 4.8682 9.2912 9.2912 14.0014 14.0014 14.6846 14.6846 16.8235 16.8235 k = 0.5774-0.1546 0.4082 ( 1526 PWs) bands (ev): -8.3643 -8.3643 2.0403 2.0403 2.5951 2.5951 2.8182 2.8182 3.8070 3.8070 4.1402 4.1402 4.5188 4.5188 4.7525 4.7525 4.8102 4.8102 9.2143 9.2143 14.0463 14.0463 14.7174 14.7174 16.9282 16.9282 k = 0.5714-0.1650 0.4082 ( 1530 PWs) bands (ev): -8.3659 -8.3659 2.0318 2.0318 2.6604 2.6604 2.8595 2.8595 3.7849 3.7849 4.1343 4.1343 4.5036 4.5036 4.7398 4.7398 4.7599 4.7599 9.1413 9.1413 14.0866 14.0866 14.7490 14.7490 17.0300 17.0300 k = 0.5655-0.1753 0.4082 ( 1530 PWs) bands (ev): -8.3675 -8.3675 2.0240 2.0240 2.7254 2.7254 2.9014 2.9014 3.7619 3.7619 4.1281 4.1281 4.4840 4.4840 4.7047 4.7047 4.7383 4.7383 9.0726 9.0726 14.1223 14.1223 14.7790 14.7790 17.1277 17.1277 k = 0.5595-0.1856 0.4082 ( 1522 PWs) bands (ev): -8.3690 -8.3690 2.0169 2.0169 2.7897 2.7897 2.9434 2.9434 3.7382 3.7382 4.1217 4.1217 4.4583 4.4583 4.6668 4.6668 4.7280 4.7280 9.0084 9.0084 14.1538 14.1538 14.8073 14.8073 17.2204 17.2204 k = 0.5536-0.1959 0.4082 ( 1522 PWs) bands (ev): -8.3705 -8.3705 2.0104 2.0104 2.8530 2.8530 2.9854 2.9854 3.7132 3.7132 4.1150 4.1150 4.4261 4.4261 4.6373 4.6373 4.7186 4.7186 8.9493 8.9493 14.1811 14.1811 14.8336 14.8336 17.3066 17.3066 k = 0.5476-0.2062 0.4082 ( 1534 PWs) bands (ev): -8.3718 -8.3718 2.0046 2.0046 2.9146 2.9146 3.0270 3.0270 3.6870 3.6870 4.1083 4.1083 4.3885 4.3885 4.6159 4.6159 4.7097 4.7097 8.8953 8.8953 14.2046 14.2046 14.8578 14.8578 17.3852 17.3852 k = 0.5417-0.2165 0.4082 ( 1534 PWs) bands (ev): -8.3731 -8.3731 1.9995 1.9995 2.9742 2.9742 3.0680 3.0680 3.6595 3.6595 4.1018 4.1018 4.3483 4.3483 4.6010 4.6010 4.7013 4.7013 8.8469 8.8469 14.2246 14.2246 14.8796 14.8796 17.4548 17.4548 k = 0.5357-0.2268 0.4082 ( 1540 PWs) bands (ev): -8.3742 -8.3742 1.9950 1.9950 3.0306 3.0306 3.1081 3.1081 3.6304 3.6304 4.0955 4.0955 4.3080 4.3080 4.5905 4.5905 4.6936 4.6936 8.8044 8.8044 14.2413 14.2413 14.8989 14.8989 17.5145 17.5145 k = 0.5298-0.2371 0.4082 ( 1534 PWs) bands (ev): -8.3752 -8.3752 1.9913 1.9913 3.0825 3.0825 3.1476 3.1476 3.5999 3.5999 4.0898 4.0898 4.2700 4.2700 4.5831 4.5831 4.6867 4.6867 8.7679 8.7679 14.2550 14.2550 14.9155 14.9155 17.5639 17.5639 k = 0.5238-0.2474 0.4082 ( 1534 PWs) bands (ev): -8.3760 -8.3760 1.9882 1.9882 3.1272 3.1272 3.1874 3.1874 3.5681 3.5681 4.0847 4.0847 4.2359 4.2359 4.5779 4.5779 4.6808 4.6808 8.7377 8.7377 14.2658 14.2658 14.9293 14.9293 17.6031 17.6031 k = 0.5179-0.2577 0.4082 ( 1526 PWs) bands (ev): -8.3766 -8.3766 1.9858 1.9858 3.1624 3.1624 3.2278 3.2278 3.5357 3.5357 4.0806 4.0806 4.2076 4.2076 4.5743 4.5743 4.6761 4.6761 8.7141 8.7141 14.2740 14.2740 14.9402 14.9402 17.6326 17.6326 k = 0.5119-0.2681 0.4082 ( 1524 PWs) bands (ev): -8.3771 -8.3771 1.9841 1.9841 3.1871 3.1871 3.2665 3.2665 3.5043 3.5043 4.0774 4.0774 4.1861 4.1861 4.5719 4.5719 4.6727 4.6727 8.6971 8.6971 14.2798 14.2798 14.9480 14.9480 17.6531 17.6531 k = 0.5060-0.2784 0.4082 ( 1524 PWs) bands (ev): -8.3774 -8.3774 1.9831 1.9831 3.2018 3.2018 3.2976 3.2976 3.4784 3.4784 4.0755 4.0755 4.1728 4.1728 4.5705 4.5705 4.6706 4.6706 8.6868 8.6868 14.2832 14.2832 14.9527 14.9527 17.6651 17.6651 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3775 -8.3775 1.9828 1.9828 3.2067 3.2067 3.3104 3.3104 3.4673 3.4673 4.0748 4.0748 4.1682 4.1682 4.5700 4.5700 4.6699 4.6699 8.6834 8.6834 14.2844 14.2844 14.9543 14.9543 17.6691 17.6691 Writing output data file AgCl.save init_run : 0.13s CPU 0.23s WALL ( 1 calls) electrons : 31.10s CPU 32.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 31.10s CPU 32.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 381 calls) cegterg : 28.44s CPU 29.18s WALL ( 381 calls) Called by sum_band: Called by *egterg: h_psi : 13.72s CPU 13.97s WALL ( 5582 calls) s_psi : 0.84s CPU 0.82s WALL ( 5582 calls) g_psi : 0.06s CPU 0.04s WALL ( 4820 calls) cdiaghg : 13.23s CPU 13.65s WALL ( 5201 calls) cegterg:over : 0.94s CPU 1.01s WALL ( 4820 calls) cegterg:upda : 0.70s CPU 0.74s WALL ( 4820 calls) cegterg:last : 0.40s CPU 0.45s WALL ( 1143 calls) cdiaghg:chol : 0.64s CPU 0.70s WALL ( 5201 calls) cdiaghg:inve : 0.26s CPU 0.24s WALL ( 5201 calls) cdiaghg:para : 0.84s CPU 0.90s WALL ( 10402 calls) Called by h_psi: h_psi:vloc : 11.81s CPU 12.09s WALL ( 5582 calls) h_psi:vnl : 1.88s CPU 1.86s WALL ( 5582 calls) add_vuspsi : 1.12s CPU 1.09s WALL ( 5582 calls) General routines calbec : 0.76s CPU 0.76s WALL ( 5582 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.16s CPU 11.37s WALL ( 363172 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.08s WALL ( 762 calls) Parallel routines fft_scatter : 6.99s CPU 7.05s WALL ( 363195 calls) PWSCF : 38.72s CPU 52.32s WALL This run was terminated on: 18:19:22 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=