Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:44 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: ./VN.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per 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 38 11 3 913 140 24 Max 39 12 4 917 156 29 Sum 1369 397 121 32935 5209 941 bravais-lattice index = 14 lattice parameter (alat) = 5.5160 a.u. unit-cell volume = 118.6740 (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 = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.515991 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 V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential V 13.00 50.94150 V( 1.00) N 5.00 14.00670 N( 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= 502 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 2) = ( 0.0064935 -0.0037490 0.0053019), wk = 0.0019920 k( 3) = ( 0.0129870 -0.0074981 0.0106038), wk = 0.0019920 k( 4) = ( 0.0194805 -0.0112471 0.0159058), wk = 0.0019920 k( 5) = ( 0.0259740 -0.0149961 0.0212077), wk = 0.0019920 k( 6) = ( 0.0324675 -0.0187451 0.0265096), wk = 0.0019920 k( 7) = ( 0.0389610 -0.0224942 0.0318116), wk = 0.0019920 k( 8) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0019920 k( 9) = ( 0.0519481 -0.0299922 0.0424154), wk = 0.0019920 k( 10) = ( 0.0584416 -0.0337413 0.0477173), wk = 0.0019920 k( 11) = ( 0.0649351 -0.0374903 0.0530193), wk = 0.0019920 k( 12) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0019920 k( 13) = ( 0.0779221 -0.0449883 0.0636231), wk = 0.0019920 k( 14) = ( 0.0844156 -0.0487374 0.0689250), wk = 0.0019920 k( 15) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0019920 k( 16) = ( 0.0974026 -0.0562354 0.0795289), wk = 0.0019920 k( 17) = ( 0.1038961 -0.0599844 0.0848308), wk = 0.0019920 k( 18) = ( 0.1103896 -0.0637335 0.0901327), wk = 0.0019920 k( 19) = ( 0.1168831 -0.0674825 0.0954347), wk = 0.0019920 k( 20) = ( 0.1233766 -0.0712315 0.1007366), wk = 0.0019920 k( 21) = ( 0.1298701 -0.0749806 0.1060385), wk = 0.0019920 k( 22) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0019920 k( 23) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0019920 k( 24) = ( 0.1493507 -0.0862276 0.1219443), wk = 0.0019920 k( 25) = ( 0.1558442 -0.0899767 0.1272462), wk = 0.0019920 k( 26) = ( 0.1623377 -0.0937257 0.1325481), wk = 0.0019920 k( 27) = ( 0.1688312 -0.0974747 0.1378501), wk = 0.0019920 k( 28) = ( 0.1753247 -0.1012238 0.1431520), wk = 0.0019920 k( 29) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0019920 k( 30) = ( 0.1883117 -0.1087218 0.1537559), wk = 0.0019920 k( 31) = ( 0.1948052 -0.1124708 0.1590578), wk = 0.0019920 k( 32) = ( 0.2012987 -0.1162199 0.1643597), wk = 0.0019920 k( 33) = ( 0.2077922 -0.1199689 0.1696616), wk = 0.0019920 k( 34) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0019920 k( 35) = ( 0.2207792 -0.1274669 0.1802655), wk = 0.0019920 k( 36) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0019920 k( 37) = ( 0.2337662 -0.1349650 0.1908693), wk = 0.0019920 k( 38) = ( 0.2402597 -0.1387140 0.1961713), wk = 0.0019920 k( 39) = ( 0.2467533 -0.1424631 0.2014732), wk = 0.0019920 k( 40) = ( 0.2532468 -0.1462121 0.2067751), wk = 0.0019920 k( 41) = ( 0.2597403 -0.1499611 0.2120770), wk = 0.0019920 k( 42) = ( 0.2662338 -0.1537101 0.2173790), wk = 0.0019920 k( 43) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0019920 k( 44) = ( 0.2792208 -0.1612082 0.2279828), wk = 0.0019920 k( 45) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0019920 k( 46) = ( 0.2922078 -0.1687062 0.2385867), wk = 0.0019920 k( 47) = ( 0.2987013 -0.1724553 0.2438886), wk = 0.0019920 k( 48) = ( 0.3051948 -0.1762043 0.2491905), wk = 0.0019920 k( 49) = ( 0.3116883 -0.1799533 0.2544924), wk = 0.0019920 k( 50) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0019920 k( 51) = ( 0.3246753 -0.1874514 0.2650963), wk = 0.0019920 k( 52) = ( 0.3311688 -0.1912004 0.2703982), wk = 0.0019920 k( 53) = ( 0.3376623 -0.1949494 0.2757001), wk = 0.0019920 k( 54) = ( 0.3441558 -0.1986985 0.2810021), wk = 0.0019920 k( 55) = ( 0.3506494 -0.2024475 0.2863040), wk = 0.0019920 k( 56) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0019920 k( 57) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0019920 k( 58) = ( 0.3701299 -0.2136946 0.3022098), wk = 0.0019920 k( 59) = ( 0.3766234 -0.2174436 0.3075117), wk = 0.0019920 k( 60) = ( 0.3831169 -0.2211926 0.3128136), wk = 0.0019920 k( 61) = ( 0.3896104 -0.2249417 0.3181156), wk = 0.0019920 k( 62) = ( 0.3961039 -0.2286907 0.3234175), wk = 0.0019920 k( 63) = ( 0.4025974 -0.2324397 0.3287194), wk = 0.0019920 k( 64) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0019920 k( 65) = ( 0.4155844 -0.2399378 0.3393233), wk = 0.0019920 k( 66) = ( 0.4220779 -0.2436868 0.3446252), wk = 0.0019920 k( 67) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0019920 k( 68) = ( 0.4350649 -0.2511849 0.3552290), wk = 0.0019920 k( 69) = ( 0.4415584 -0.2549339 0.3605310), wk = 0.0019920 k( 70) = ( 0.4480519 -0.2586829 0.3658329), wk = 0.0019920 k( 71) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0019920 k( 72) = ( 0.4610390 -0.2661810 0.3764367), wk = 0.0019920 k( 73) = ( 0.4675325 -0.2699300 0.3817387), wk = 0.0019920 k( 74) = ( 0.4740260 -0.2736790 0.3870406), wk = 0.0019920 k( 75) = ( 0.4805195 -0.2774281 0.3923425), wk = 0.0019920 k( 76) = ( 0.4870130 -0.2811771 0.3976444), wk = 0.0019920 k( 77) = ( 0.4935065 -0.2849261 0.4029464), wk = 0.0019920 k( 78) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019920 k( 79) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019920 k( 80) = ( 0.5000000 -0.2812732 0.4134822), wk = 0.0019920 k( 81) = ( 0.5000000 -0.2738713 0.4187162), wk = 0.0019920 k( 82) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0019920 k( 83) = ( 0.5000000 -0.2590674 0.4291841), wk = 0.0019920 k( 84) = ( 0.5000000 -0.2516655 0.4344181), wk = 0.0019920 k( 85) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0019920 k( 86) = ( 0.5000000 -0.2368617 0.4448860), wk = 0.0019920 k( 87) = ( 0.5000000 -0.2294597 0.4501199), wk = 0.0019920 k( 88) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0019920 k( 89) = ( 0.5000000 -0.2146559 0.4605878), wk = 0.0019920 k( 90) = ( 0.5000000 -0.2072539 0.4658218), wk = 0.0019920 k( 91) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0019920 k( 92) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0019920 k( 93) = ( 0.5000000 -0.1850482 0.4815236), wk = 0.0019920 k( 94) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0019920 k( 95) = ( 0.5000000 -0.1702443 0.4919915), wk = 0.0019920 k( 96) = ( 0.5000000 -0.1628424 0.4972255), wk = 0.0019920 k( 97) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0019920 k( 98) = ( 0.5000000 -0.1480385 0.5076934), wk = 0.0019920 k( 99) = ( 0.5000000 -0.1406366 0.5129273), wk = 0.0019920 k( 100) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0019920 k( 101) = ( 0.5000000 -0.1258328 0.5233952), wk = 0.0019920 k( 102) = ( 0.5000000 -0.1184308 0.5286292), wk = 0.0019920 k( 103) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0019920 k( 104) = ( 0.5000000 -0.1036270 0.5390971), wk = 0.0019920 k( 105) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0019920 k( 106) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0019920 k( 107) = ( 0.5000000 -0.0814212 0.5547990), wk = 0.0019920 k( 108) = ( 0.5000000 -0.0740193 0.5600329), wk = 0.0019920 k( 109) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0019920 k( 110) = ( 0.5000000 -0.0592154 0.5705008), wk = 0.0019920 k( 111) = ( 0.5000000 -0.0518135 0.5757348), wk = 0.0019920 k( 112) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0019920 k( 113) = ( 0.5000000 -0.0370096 0.5862027), wk = 0.0019920 k( 114) = ( 0.5000000 -0.0296077 0.5914366), wk = 0.0019920 k( 115) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0019920 k( 116) = ( 0.5000000 -0.0148038 0.6019045), wk = 0.0019920 k( 117) = ( 0.5000000 -0.0074019 0.6071385), wk = 0.0019920 k( 118) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019920 k( 119) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019920 k( 120) = ( 0.4953704 0.0080188 0.6123724), wk = 0.0019920 k( 121) = ( 0.4907407 0.0160375 0.6123724), wk = 0.0019920 k( 122) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0019920 k( 123) = ( 0.4814815 0.0320750 0.6123724), wk = 0.0019920 k( 124) = ( 0.4768519 0.0400938 0.6123724), wk = 0.0019920 k( 125) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0019920 k( 126) = ( 0.4675926 0.0561313 0.6123724), wk = 0.0019920 k( 127) = ( 0.4629630 0.0641500 0.6123724), wk = 0.0019920 k( 128) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0019920 k( 129) = ( 0.4537037 0.0801875 0.6123724), wk = 0.0019920 k( 130) = ( 0.4490741 0.0882063 0.6123724), wk = 0.0019920 k( 131) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0019920 k( 132) = ( 0.4398148 0.1042438 0.6123724), wk = 0.0019920 k( 133) = ( 0.4351852 0.1122625 0.6123724), wk = 0.0019920 k( 134) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0019920 k( 135) = ( 0.4259259 0.1283001 0.6123724), wk = 0.0019920 k( 136) = ( 0.4212963 0.1363188 0.6123724), wk = 0.0019920 k( 137) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0019920 k( 138) = ( 0.4120370 0.1523563 0.6123724), wk = 0.0019920 k( 139) = ( 0.4074074 0.1603751 0.6123724), wk = 0.0019920 k( 140) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0019920 k( 141) = ( 0.3981481 0.1764126 0.6123724), wk = 0.0019920 k( 142) = ( 0.3935185 0.1844313 0.6123724), wk = 0.0019920 k( 143) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0019920 k( 144) = ( 0.3842593 0.2004688 0.6123724), wk = 0.0019920 k( 145) = ( 0.3796296 0.2084876 0.6123724), wk = 0.0019920 k( 146) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019920 k( 147) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019920 k( 148) = ( 0.3703704 0.2138334 0.6048123), wk = 0.0019920 k( 149) = ( 0.3657407 0.2111605 0.5972521), wk = 0.0019920 k( 150) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0019920 k( 151) = ( 0.3564815 0.2058147 0.5821318), wk = 0.0019920 k( 152) = ( 0.3518519 0.2031418 0.5745717), wk = 0.0019920 k( 153) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0019920 k( 154) = ( 0.3425926 0.1977959 0.5594514), wk = 0.0019920 k( 155) = ( 0.3379630 0.1951230 0.5518912), wk = 0.0019920 k( 156) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0019920 k( 157) = ( 0.3287037 0.1897772 0.5367709), wk = 0.0019920 k( 158) = ( 0.3240741 0.1871043 0.5292108), wk = 0.0019920 k( 159) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0019920 k( 160) = ( 0.3148148 0.1817584 0.5140904), wk = 0.0019920 k( 161) = ( 0.3101852 0.1790855 0.5065303), wk = 0.0019920 k( 162) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0019920 k( 163) = ( 0.3009259 0.1737397 0.4914100), wk = 0.0019920 k( 164) = ( 0.2962963 0.1710667 0.4838498), wk = 0.0019920 k( 165) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0019920 k( 166) = ( 0.2870370 0.1657209 0.4687295), wk = 0.0019920 k( 167) = ( 0.2824074 0.1630480 0.4611694), wk = 0.0019920 k( 168) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0019920 k( 169) = ( 0.2731481 0.1577022 0.4460491), wk = 0.0019920 k( 170) = ( 0.2685185 0.1550292 0.4384889), wk = 0.0019920 k( 171) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0019920 k( 172) = ( 0.2592593 0.1496834 0.4233686), wk = 0.0019920 k( 173) = ( 0.2546296 0.1470105 0.4158084), wk = 0.0019920 k( 174) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0019920 k( 175) = ( 0.2453704 0.1416646 0.4006881), wk = 0.0019920 k( 176) = ( 0.2407407 0.1389917 0.3931280), wk = 0.0019920 k( 177) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0019920 k( 178) = ( 0.2314815 0.1336459 0.3780077), wk = 0.0019920 k( 179) = ( 0.2268518 0.1309730 0.3704475), wk = 0.0019920 k( 180) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0019920 k( 181) = ( 0.2175926 0.1256271 0.3553272), wk = 0.0019920 k( 182) = ( 0.2129630 0.1229542 0.3477671), wk = 0.0019920 k( 183) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0019920 k( 184) = ( 0.2037037 0.1176084 0.3326468), wk = 0.0019920 k( 185) = ( 0.1990741 0.1149355 0.3250866), wk = 0.0019920 k( 186) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0019920 k( 187) = ( 0.1898148 0.1095896 0.3099663), wk = 0.0019920 k( 188) = ( 0.1851852 0.1069167 0.3024061), wk = 0.0019920 k( 189) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0019920 k( 190) = ( 0.1759259 0.1015709 0.2872858), wk = 0.0019920 k( 191) = ( 0.1712963 0.0988980 0.2797257), wk = 0.0019920 k( 192) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0019920 k( 193) = ( 0.1620370 0.0935521 0.2646054), wk = 0.0019920 k( 194) = ( 0.1574074 0.0908792 0.2570452), wk = 0.0019920 k( 195) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0019920 k( 196) = ( 0.1481482 0.0855334 0.2419249), wk = 0.0019920 k( 197) = ( 0.1435185 0.0828605 0.2343648), wk = 0.0019920 k( 198) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0019920 k( 199) = ( 0.1342593 0.0775146 0.2192445), wk = 0.0019920 k( 200) = ( 0.1296296 0.0748417 0.2116843), wk = 0.0019920 k( 201) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0019920 k( 202) = ( 0.1203704 0.0694959 0.1965640), wk = 0.0019920 k( 203) = ( 0.1157407 0.0668229 0.1890038), wk = 0.0019920 k( 204) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0019920 k( 205) = ( 0.1064815 0.0614771 0.1738835), wk = 0.0019920 k( 206) = ( 0.1018518 0.0588042 0.1663234), wk = 0.0019920 k( 207) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0019920 k( 208) = ( 0.0925926 0.0534584 0.1512031), wk = 0.0019920 k( 209) = ( 0.0879630 0.0507854 0.1436429), wk = 0.0019920 k( 210) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0019920 k( 211) = ( 0.0787037 0.0454396 0.1285226), wk = 0.0019920 k( 212) = ( 0.0740741 0.0427667 0.1209625), wk = 0.0019920 k( 213) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0019920 k( 214) = ( 0.0648148 0.0374208 0.1058422), wk = 0.0019920 k( 215) = ( 0.0601852 0.0347479 0.0982820), wk = 0.0019920 k( 216) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0019920 k( 217) = ( 0.0509259 0.0294021 0.0831617), wk = 0.0019920 k( 218) = ( 0.0462963 0.0267292 0.0756015), wk = 0.0019920 k( 219) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0019920 k( 220) = ( 0.0370370 0.0213833 0.0604812), wk = 0.0019920 k( 221) = ( 0.0324074 0.0187104 0.0529211), wk = 0.0019920 k( 222) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0019920 k( 223) = ( 0.0231481 0.0133646 0.0378008), wk = 0.0019920 k( 224) = ( 0.0185185 0.0106917 0.0302406), wk = 0.0019920 k( 225) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0019920 k( 226) = ( 0.0092593 0.0053458 0.0151203), wk = 0.0019920 k( 227) = ( 0.0046296 0.0026729 0.0075602), wk = 0.0019920 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 230) = ( 0.0075758 0.0043739 0.0030928), wk = 0.0019920 k( 231) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0019920 k( 232) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0019920 k( 233) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0019920 k( 234) = ( 0.0378788 0.0218693 0.0154640), wk = 0.0019920 k( 235) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0019920 k( 236) = ( 0.0530303 0.0306171 0.0216495), wk = 0.0019920 k( 237) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0019920 k( 238) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0019920 k( 239) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0019920 k( 240) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0019920 k( 241) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0019920 k( 242) = ( 0.0984848 0.0568603 0.0402063), wk = 0.0019920 k( 243) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0019920 k( 244) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0019920 k( 245) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0019920 k( 246) = ( 0.1287879 0.0743557 0.0525774), wk = 0.0019920 k( 247) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0019920 k( 248) = ( 0.1439394 0.0831034 0.0587630), wk = 0.0019920 k( 249) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0019920 k( 250) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0019920 k( 251) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0019920 k( 252) = ( 0.1742424 0.1005989 0.0711342), wk = 0.0019920 k( 253) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0019920 k( 254) = ( 0.1893939 0.1093466 0.0773198), wk = 0.0019920 k( 255) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0019920 k( 256) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0019920 k( 257) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0019920 k( 258) = ( 0.2196970 0.1268421 0.0896909), wk = 0.0019920 k( 259) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0019920 k( 260) = ( 0.2348485 0.1355898 0.0958765), wk = 0.0019920 k( 261) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0019920 k( 262) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0019920 k( 263) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0019920 k( 264) = ( 0.2651515 0.1530853 0.1082477), wk = 0.0019920 k( 265) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0019920 k( 266) = ( 0.2803030 0.1618330 0.1144332), wk = 0.0019920 k( 267) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0019920 k( 268) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0019920 k( 269) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0019920 k( 270) = ( 0.3106061 0.1793285 0.1268044), wk = 0.0019920 k( 271) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0019920 k( 272) = ( 0.3257576 0.1880762 0.1329900), wk = 0.0019920 k( 273) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0019920 k( 274) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0019920 k( 275) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0019920 k( 276) = ( 0.3560606 0.2055717 0.1453611), wk = 0.0019920 k( 277) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0019920 k( 278) = ( 0.3712121 0.2143194 0.1515467), wk = 0.0019920 k( 279) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0019920 k( 280) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0019920 k( 281) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0019920 k( 282) = ( 0.4015151 0.2318149 0.1639179), wk = 0.0019920 k( 283) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0019920 k( 284) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0019920 k( 285) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0019920 k( 286) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0019920 k( 287) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0019920 k( 288) = ( 0.4469697 0.2580581 0.1824746), wk = 0.0019920 k( 289) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0019920 k( 290) = ( 0.4621212 0.2668058 0.1886602), wk = 0.0019920 k( 291) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0019920 k( 292) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0019920 k( 293) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0019920 k( 294) = ( 0.4924242 0.2843013 0.2010314), wk = 0.0019920 k( 295) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019920 k( 296) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019920 k( 297) = ( 0.5026596 0.2809976 0.2084672), wk = 0.0019920 k( 298) = ( 0.5053192 0.2733201 0.2128103), wk = 0.0019920 k( 299) = ( 0.5079787 0.2656425 0.2171533), wk = 0.0019920 k( 300) = ( 0.5106383 0.2579650 0.2214964), wk = 0.0019920 k( 301) = ( 0.5132979 0.2502875 0.2258395), wk = 0.0019920 k( 302) = ( 0.5159575 0.2426100 0.2301825), wk = 0.0019920 k( 303) = ( 0.5186170 0.2349324 0.2345256), wk = 0.0019920 k( 304) = ( 0.5212766 0.2272549 0.2388687), wk = 0.0019920 k( 305) = ( 0.5239362 0.2195774 0.2432117), wk = 0.0019920 k( 306) = ( 0.5265957 0.2118998 0.2475548), wk = 0.0019920 k( 307) = ( 0.5292553 0.2042223 0.2518979), wk = 0.0019920 k( 308) = ( 0.5319149 0.1965448 0.2562409), wk = 0.0019920 k( 309) = ( 0.5345745 0.1888672 0.2605840), wk = 0.0019920 k( 310) = ( 0.5372340 0.1811897 0.2649271), wk = 0.0019920 k( 311) = ( 0.5398936 0.1735122 0.2692701), wk = 0.0019920 k( 312) = ( 0.5425532 0.1658347 0.2736132), wk = 0.0019920 k( 313) = ( 0.5452128 0.1581571 0.2779563), wk = 0.0019920 k( 314) = ( 0.5478723 0.1504796 0.2822993), wk = 0.0019920 k( 315) = ( 0.5505319 0.1428021 0.2866424), wk = 0.0019920 k( 316) = ( 0.5531915 0.1351245 0.2909855), wk = 0.0019920 k( 317) = ( 0.5558511 0.1274470 0.2953285), wk = 0.0019920 k( 318) = ( 0.5585106 0.1197695 0.2996716), wk = 0.0019920 k( 319) = ( 0.5611702 0.1120919 0.3040147), wk = 0.0019920 k( 320) = ( 0.5638298 0.1044144 0.3083578), wk = 0.0019920 k( 321) = ( 0.5664894 0.0967369 0.3127008), wk = 0.0019920 k( 322) = ( 0.5691489 0.0890594 0.3170439), wk = 0.0019920 k( 323) = ( 0.5718085 0.0813818 0.3213870), wk = 0.0019920 k( 324) = ( 0.5744681 0.0737043 0.3257300), wk = 0.0019920 k( 325) = ( 0.5771277 0.0660268 0.3300731), wk = 0.0019920 k( 326) = ( 0.5797872 0.0583492 0.3344162), wk = 0.0019920 k( 327) = ( 0.5824468 0.0506717 0.3387592), wk = 0.0019920 k( 328) = ( 0.5851064 0.0429942 0.3431023), wk = 0.0019920 k( 329) = ( 0.5877660 0.0353166 0.3474454), wk = 0.0019920 k( 330) = ( 0.5904255 0.0276391 0.3517884), wk = 0.0019920 k( 331) = ( 0.5930851 0.0199616 0.3561315), wk = 0.0019920 k( 332) = ( 0.5957447 0.0122841 0.3604746), wk = 0.0019920 k( 333) = ( 0.5984043 0.0046065 0.3648176), wk = 0.0019920 k( 334) = ( 0.6010638 -0.0030710 0.3691607), wk = 0.0019920 k( 335) = ( 0.6037234 -0.0107485 0.3735038), wk = 0.0019920 k( 336) = ( 0.6063830 -0.0184261 0.3778468), wk = 0.0019920 k( 337) = ( 0.6090425 -0.0261036 0.3821899), wk = 0.0019920 k( 338) = ( 0.6117021 -0.0337811 0.3865330), wk = 0.0019920 k( 339) = ( 0.6143617 -0.0414587 0.3908760), wk = 0.0019920 k( 340) = ( 0.6170213 -0.0491362 0.3952191), wk = 0.0019920 k( 341) = ( 0.6196808 -0.0568137 0.3995622), wk = 0.0019920 k( 342) = ( 0.6223404 -0.0644913 0.4039052), wk = 0.0019920 k( 343) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019920 k( 344) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019920 k( 345) = ( 0.6203704 -0.0694959 0.4158084), wk = 0.0019920 k( 346) = ( 0.6157407 -0.0668229 0.4233686), wk = 0.0019920 k( 347) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0019920 k( 348) = ( 0.6064815 -0.0614771 0.4384889), wk = 0.0019920 k( 349) = ( 0.6018518 -0.0588042 0.4460491), wk = 0.0019920 k( 350) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0019920 k( 351) = ( 0.5925926 -0.0534584 0.4611694), wk = 0.0019920 k( 352) = ( 0.5879630 -0.0507854 0.4687295), wk = 0.0019920 k( 353) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0019920 k( 354) = ( 0.5787037 -0.0454396 0.4838498), wk = 0.0019920 k( 355) = ( 0.5740741 -0.0427667 0.4914100), wk = 0.0019920 k( 356) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0019920 k( 357) = ( 0.5648148 -0.0374208 0.5065303), wk = 0.0019920 k( 358) = ( 0.5601852 -0.0347479 0.5140904), wk = 0.0019920 k( 359) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0019920 k( 360) = ( 0.5509259 -0.0294021 0.5292107), wk = 0.0019920 k( 361) = ( 0.5462963 -0.0267292 0.5367709), wk = 0.0019920 k( 362) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0019920 k( 363) = ( 0.5370370 -0.0213833 0.5518912), wk = 0.0019920 k( 364) = ( 0.5324074 -0.0187104 0.5594514), wk = 0.0019920 k( 365) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0019920 k( 366) = ( 0.5231482 -0.0133646 0.5745717), wk = 0.0019920 k( 367) = ( 0.5185185 -0.0106917 0.5821318), wk = 0.0019920 k( 368) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0019920 k( 369) = ( 0.5092593 -0.0053458 0.5972521), wk = 0.0019920 k( 370) = ( 0.5046296 -0.0026729 0.6048123), wk = 0.0019920 k( 371) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019920 k( 372) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0019920 k( 373) = ( 0.5000000 0.0053458 0.6048123), wk = 0.0019920 k( 374) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0019920 k( 375) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0019920 k( 376) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0019920 k( 377) = ( 0.5000000 0.0267292 0.5745717), wk = 0.0019920 k( 378) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0019920 k( 379) = ( 0.5000000 0.0374209 0.5594514), wk = 0.0019920 k( 380) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0019920 k( 381) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0019920 k( 382) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0019920 k( 383) = ( 0.5000000 0.0588042 0.5292107), wk = 0.0019920 k( 384) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0019920 k( 385) = ( 0.5000000 0.0694959 0.5140904), wk = 0.0019920 k( 386) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0019920 k( 387) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0019920 k( 388) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0019920 k( 389) = ( 0.5000000 0.0908792 0.4838498), wk = 0.0019920 k( 390) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0019920 k( 391) = ( 0.5000000 0.1015709 0.4687295), wk = 0.0019920 k( 392) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0019920 k( 393) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0019920 k( 394) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0019920 k( 395) = ( 0.5000000 0.1229542 0.4384889), wk = 0.0019920 k( 396) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0019920 k( 397) = ( 0.5000000 0.1336459 0.4233686), wk = 0.0019920 k( 398) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0019920 k( 399) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0019920 k( 400) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0019920 k( 401) = ( 0.5000000 0.1550292 0.3931280), wk = 0.0019920 k( 402) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0019920 k( 403) = ( 0.5000000 0.1657209 0.3780077), wk = 0.0019920 k( 404) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0019920 k( 405) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0019920 k( 406) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0019920 k( 407) = ( 0.5000000 0.1871043 0.3477671), wk = 0.0019920 k( 408) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0019920 k( 409) = ( 0.5000000 0.1977959 0.3326467), wk = 0.0019920 k( 410) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0019920 k( 411) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0019920 k( 412) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0019920 k( 413) = ( 0.5000000 0.2191793 0.3024061), wk = 0.0019920 k( 414) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0019920 k( 415) = ( 0.5000000 0.2298709 0.2872858), wk = 0.0019920 k( 416) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0019920 k( 417) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0019920 k( 418) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0019920 k( 419) = ( 0.5000000 0.2512543 0.2570452), wk = 0.0019920 k( 420) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0019920 k( 421) = ( 0.5000000 0.2619460 0.2419249), wk = 0.0019920 k( 422) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0019920 k( 423) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0019920 k( 424) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0019920 k( 425) = ( 0.5000000 0.2833293 0.2116843), wk = 0.0019920 k( 426) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019920 k( 427) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0019920 k( 428) = ( 0.4973404 0.2871396 0.2128103), wk = 0.0019920 k( 429) = ( 0.4946809 0.2856041 0.2214964), wk = 0.0019920 k( 430) = ( 0.4920213 0.2840686 0.2301825), wk = 0.0019920 k( 431) = ( 0.4893617 0.2825331 0.2388687), wk = 0.0019920 k( 432) = ( 0.4867021 0.2809976 0.2475548), wk = 0.0019920 k( 433) = ( 0.4840426 0.2794621 0.2562409), wk = 0.0019920 k( 434) = ( 0.4813830 0.2779266 0.2649271), wk = 0.0019920 k( 435) = ( 0.4787234 0.2763911 0.2736132), wk = 0.0019920 k( 436) = ( 0.4760638 0.2748556 0.2822993), wk = 0.0019920 k( 437) = ( 0.4734043 0.2733201 0.2909855), wk = 0.0019920 k( 438) = ( 0.4707447 0.2717846 0.2996716), wk = 0.0019920 k( 439) = ( 0.4680851 0.2702491 0.3083578), wk = 0.0019920 k( 440) = ( 0.4654255 0.2687136 0.3170439), wk = 0.0019920 k( 441) = ( 0.4627660 0.2671781 0.3257300), wk = 0.0019920 k( 442) = ( 0.4601064 0.2656425 0.3344162), wk = 0.0019920 k( 443) = ( 0.4574468 0.2641070 0.3431023), wk = 0.0019920 k( 444) = ( 0.4547872 0.2625715 0.3517884), wk = 0.0019920 k( 445) = ( 0.4521277 0.2610360 0.3604746), wk = 0.0019920 k( 446) = ( 0.4494681 0.2595005 0.3691607), wk = 0.0019920 k( 447) = ( 0.4468085 0.2579650 0.3778468), wk = 0.0019920 k( 448) = ( 0.4441489 0.2564295 0.3865330), wk = 0.0019920 k( 449) = ( 0.4414894 0.2548940 0.3952191), wk = 0.0019920 k( 450) = ( 0.4388298 0.2533585 0.4039052), wk = 0.0019920 k( 451) = ( 0.4361702 0.2518230 0.4125914), wk = 0.0019920 k( 452) = ( 0.4335106 0.2502875 0.4212775), wk = 0.0019920 k( 453) = ( 0.4308511 0.2487520 0.4299636), wk = 0.0019920 k( 454) = ( 0.4281915 0.2472165 0.4386498), wk = 0.0019920 k( 455) = ( 0.4255319 0.2456810 0.4473359), wk = 0.0019920 k( 456) = ( 0.4228723 0.2441455 0.4560220), wk = 0.0019920 k( 457) = ( 0.4202128 0.2426100 0.4647082), wk = 0.0019920 k( 458) = ( 0.4175532 0.2410744 0.4733943), wk = 0.0019920 k( 459) = ( 0.4148936 0.2395389 0.4820804), wk = 0.0019920 k( 460) = ( 0.4122340 0.2380034 0.4907666), wk = 0.0019920 k( 461) = ( 0.4095745 0.2364679 0.4994527), wk = 0.0019920 k( 462) = ( 0.4069149 0.2349324 0.5081388), wk = 0.0019920 k( 463) = ( 0.4042553 0.2333969 0.5168250), wk = 0.0019920 k( 464) = ( 0.4015957 0.2318614 0.5255111), wk = 0.0019920 k( 465) = ( 0.3989362 0.2303259 0.5341972), wk = 0.0019920 k( 466) = ( 0.3962766 0.2287904 0.5428834), wk = 0.0019920 k( 467) = ( 0.3936170 0.2272549 0.5515695), wk = 0.0019920 k( 468) = ( 0.3909574 0.2257194 0.5602556), wk = 0.0019920 k( 469) = ( 0.3882979 0.2241839 0.5689418), wk = 0.0019920 k( 470) = ( 0.3856383 0.2226484 0.5776279), wk = 0.0019920 k( 471) = ( 0.3829787 0.2211129 0.5863140), wk = 0.0019920 k( 472) = ( 0.3803191 0.2195774 0.5950002), wk = 0.0019920 k( 473) = ( 0.3776596 0.2180419 0.6036863), wk = 0.0019920 k( 474) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0019920 k( 475) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0019920 k( 476) = ( 0.6203704 -0.0801875 0.4082483), wk = 0.0019920 k( 477) = ( 0.6157407 -0.0882063 0.4082483), wk = 0.0019920 k( 478) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0019920 k( 479) = ( 0.6064815 -0.1042438 0.4082483), wk = 0.0019920 k( 480) = ( 0.6018518 -0.1122626 0.4082483), wk = 0.0019920 k( 481) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0019920 k( 482) = ( 0.5925926 -0.1283001 0.4082483), wk = 0.0019920 k( 483) = ( 0.5879630 -0.1363188 0.4082483), wk = 0.0019920 k( 484) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0019920 k( 485) = ( 0.5787037 -0.1523563 0.4082483), wk = 0.0019920 k( 486) = ( 0.5740741 -0.1603751 0.4082483), wk = 0.0019920 k( 487) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0019920 k( 488) = ( 0.5648148 -0.1764126 0.4082483), wk = 0.0019920 k( 489) = ( 0.5601852 -0.1844313 0.4082483), wk = 0.0019920 k( 490) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0019920 k( 491) = ( 0.5509259 -0.2004688 0.4082483), wk = 0.0019920 k( 492) = ( 0.5462963 -0.2084876 0.4082483), wk = 0.0019920 k( 493) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0019920 k( 494) = ( 0.5370370 -0.2245251 0.4082483), wk = 0.0019920 k( 495) = ( 0.5324074 -0.2325439 0.4082483), wk = 0.0019920 k( 496) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0019920 k( 497) = ( 0.5231482 -0.2485814 0.4082483), wk = 0.0019920 k( 498) = ( 0.5185185 -0.2566001 0.4082483), wk = 0.0019920 k( 499) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0019920 k( 500) = ( 0.5092593 -0.2726376 0.4082483), wk = 0.0019920 k( 501) = ( 0.5046296 -0.2806564 0.4082483), wk = 0.0019920 k( 502) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0019920 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 2) = ( 0.0064935 -0.0000000 0.0064935), wk = 0.0019920 k( 3) = ( 0.0129870 0.0000000 0.0129870), wk = 0.0019920 k( 4) = ( 0.0194805 -0.0000000 0.0194805), wk = 0.0019920 k( 5) = ( 0.0259740 -0.0000000 0.0259740), wk = 0.0019920 k( 6) = ( 0.0324675 0.0000000 0.0324675), wk = 0.0019920 k( 7) = ( 0.0389610 -0.0000000 0.0389610), wk = 0.0019920 k( 8) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0019920 k( 9) = ( 0.0519481 0.0000000 0.0519481), wk = 0.0019920 k( 10) = ( 0.0584416 -0.0000000 0.0584416), wk = 0.0019920 k( 11) = ( 0.0649351 0.0000000 0.0649351), wk = 0.0019920 k( 12) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0019920 k( 13) = ( 0.0779221 -0.0000000 0.0779221), wk = 0.0019920 k( 14) = ( 0.0844156 0.0000000 0.0844156), wk = 0.0019920 k( 15) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0019920 k( 16) = ( 0.0974026 0.0000000 0.0974026), wk = 0.0019920 k( 17) = ( 0.1038961 0.0000000 0.1038961), wk = 0.0019920 k( 18) = ( 0.1103896 0.0000000 0.1103896), wk = 0.0019920 k( 19) = ( 0.1168831 -0.0000000 0.1168831), wk = 0.0019920 k( 20) = ( 0.1233766 0.0000000 0.1233766), wk = 0.0019920 k( 21) = ( 0.1298701 0.0000000 0.1298701), wk = 0.0019920 k( 22) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0019920 k( 23) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0019920 k( 24) = ( 0.1493507 0.0000000 0.1493507), wk = 0.0019920 k( 25) = ( 0.1558442 -0.0000000 0.1558442), wk = 0.0019920 k( 26) = ( 0.1623377 0.0000000 0.1623377), wk = 0.0019920 k( 27) = ( 0.1688312 0.0000000 0.1688312), wk = 0.0019920 k( 28) = ( 0.1753247 0.0000000 0.1753247), wk = 0.0019920 k( 29) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0019920 k( 30) = ( 0.1883117 0.0000000 0.1883117), wk = 0.0019920 k( 31) = ( 0.1948052 0.0000000 0.1948052), wk = 0.0019920 k( 32) = ( 0.2012987 -0.0000000 0.2012987), wk = 0.0019920 k( 33) = ( 0.2077922 -0.0000000 0.2077922), wk = 0.0019920 k( 34) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0019920 k( 35) = ( 0.2207792 0.0000000 0.2207792), wk = 0.0019920 k( 36) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0019920 k( 37) = ( 0.2337662 -0.0000000 0.2337662), wk = 0.0019920 k( 38) = ( 0.2402597 -0.0000000 0.2402597), wk = 0.0019920 k( 39) = ( 0.2467533 -0.0000000 0.2467532), wk = 0.0019920 k( 40) = ( 0.2532468 0.0000000 0.2532468), wk = 0.0019920 k( 41) = ( 0.2597403 0.0000000 0.2597403), wk = 0.0019920 k( 42) = ( 0.2662338 0.0000000 0.2662338), wk = 0.0019920 k( 43) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0019920 k( 44) = ( 0.2792208 0.0000000 0.2792208), wk = 0.0019920 k( 45) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0019920 k( 46) = ( 0.2922078 0.0000000 0.2922078), wk = 0.0019920 k( 47) = ( 0.2987013 0.0000000 0.2987013), wk = 0.0019920 k( 48) = ( 0.3051948 0.0000000 0.3051948), wk = 0.0019920 k( 49) = ( 0.3116883 0.0000000 0.3116883), wk = 0.0019920 k( 50) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0019920 k( 51) = ( 0.3246753 0.0000000 0.3246753), wk = 0.0019920 k( 52) = ( 0.3311688 -0.0000000 0.3311688), wk = 0.0019920 k( 53) = ( 0.3376623 0.0000000 0.3376623), wk = 0.0019920 k( 54) = ( 0.3441558 0.0000000 0.3441558), wk = 0.0019920 k( 55) = ( 0.3506494 0.0000000 0.3506494), wk = 0.0019920 k( 56) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0019920 k( 57) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0019920 k( 58) = ( 0.3701299 0.0000000 0.3701299), wk = 0.0019920 k( 59) = ( 0.3766234 0.0000000 0.3766234), wk = 0.0019920 k( 60) = ( 0.3831169 0.0000000 0.3831169), wk = 0.0019920 k( 61) = ( 0.3896104 -0.0000000 0.3896104), wk = 0.0019920 k( 62) = ( 0.3961039 -0.0000000 0.3961039), wk = 0.0019920 k( 63) = ( 0.4025974 -0.0000000 0.4025974), wk = 0.0019920 k( 64) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0019920 k( 65) = ( 0.4155844 -0.0000000 0.4155844), wk = 0.0019920 k( 66) = ( 0.4220779 0.0000000 0.4220779), wk = 0.0019920 k( 67) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0019920 k( 68) = ( 0.4350649 0.0000000 0.4350649), wk = 0.0019920 k( 69) = ( 0.4415584 0.0000000 0.4415584), wk = 0.0019920 k( 70) = ( 0.4480519 -0.0000000 0.4480519), wk = 0.0019920 k( 71) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0019920 k( 72) = ( 0.4610390 -0.0000000 0.4610390), wk = 0.0019920 k( 73) = ( 0.4675325 -0.0000000 0.4675325), wk = 0.0019920 k( 74) = ( 0.4740260 0.0000000 0.4740260), wk = 0.0019920 k( 75) = ( 0.4805195 -0.0000000 0.4805195), wk = 0.0019920 k( 76) = ( 0.4870130 -0.0000000 0.4870130), wk = 0.0019920 k( 77) = ( 0.4935065 -0.0000000 0.4935065), wk = 0.0019920 k( 78) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019920 k( 79) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019920 k( 80) = ( 0.5000000 0.0064103 0.5064103), wk = 0.0019920 k( 81) = ( 0.5000000 0.0128205 0.5128205), wk = 0.0019920 k( 82) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0019920 k( 83) = ( 0.5000000 0.0256410 0.5256410), wk = 0.0019920 k( 84) = ( 0.5000000 0.0320513 0.5320513), wk = 0.0019920 k( 85) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0019920 k( 86) = ( 0.5000000 0.0448718 0.5448718), wk = 0.0019920 k( 87) = ( 0.5000000 0.0512821 0.5512820), wk = 0.0019920 k( 88) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0019920 k( 89) = ( 0.5000000 0.0641026 0.5641026), wk = 0.0019920 k( 90) = ( 0.5000000 0.0705128 0.5705128), wk = 0.0019920 k( 91) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0019920 k( 92) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0019920 k( 93) = ( 0.5000000 0.0897436 0.5897436), wk = 0.0019920 k( 94) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0019920 k( 95) = ( 0.5000000 0.1025641 0.6025641), wk = 0.0019920 k( 96) = ( 0.5000000 0.1089744 0.6089744), wk = 0.0019920 k( 97) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0019920 k( 98) = ( 0.5000000 0.1217949 0.6217949), wk = 0.0019920 k( 99) = ( 0.5000000 0.1282051 0.6282051), wk = 0.0019920 k( 100) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0019920 k( 101) = ( 0.5000000 0.1410256 0.6410256), wk = 0.0019920 k( 102) = ( 0.5000000 0.1474359 0.6474359), wk = 0.0019920 k( 103) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0019920 k( 104) = ( 0.5000000 0.1602564 0.6602564), wk = 0.0019920 k( 105) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0019920 k( 106) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0019920 k( 107) = ( 0.5000000 0.1794872 0.6794872), wk = 0.0019920 k( 108) = ( 0.5000000 0.1858974 0.6858974), wk = 0.0019920 k( 109) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0019920 k( 110) = ( 0.5000000 0.1987180 0.6987179), wk = 0.0019920 k( 111) = ( 0.5000000 0.2051282 0.7051282), wk = 0.0019920 k( 112) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0019920 k( 113) = ( 0.5000000 0.2179487 0.7179487), wk = 0.0019920 k( 114) = ( 0.5000000 0.2243590 0.7243590), wk = 0.0019920 k( 115) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0019920 k( 116) = ( 0.5000000 0.2371795 0.7371795), wk = 0.0019920 k( 117) = ( 0.5000000 0.2435897 0.7435897), wk = 0.0019920 k( 118) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019920 k( 119) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019920 k( 120) = ( 0.4953704 0.2546296 0.7500000), wk = 0.0019920 k( 121) = ( 0.4907407 0.2592593 0.7500000), wk = 0.0019920 k( 122) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0019920 k( 123) = ( 0.4814815 0.2685185 0.7500000), wk = 0.0019920 k( 124) = ( 0.4768519 0.2731481 0.7500000), wk = 0.0019920 k( 125) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0019920 k( 126) = ( 0.4675926 0.2824074 0.7500000), wk = 0.0019920 k( 127) = ( 0.4629630 0.2870370 0.7500000), wk = 0.0019920 k( 128) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0019920 k( 129) = ( 0.4537037 0.2962963 0.7500000), wk = 0.0019920 k( 130) = ( 0.4490741 0.3009259 0.7500000), wk = 0.0019920 k( 131) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0019920 k( 132) = ( 0.4398148 0.3101852 0.7500000), wk = 0.0019920 k( 133) = ( 0.4351852 0.3148148 0.7500000), wk = 0.0019920 k( 134) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0019920 k( 135) = ( 0.4259259 0.3240741 0.7500000), wk = 0.0019920 k( 136) = ( 0.4212963 0.3287037 0.7500000), wk = 0.0019920 k( 137) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0019920 k( 138) = ( 0.4120370 0.3379630 0.7500000), wk = 0.0019920 k( 139) = ( 0.4074074 0.3425926 0.7500000), wk = 0.0019920 k( 140) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0019920 k( 141) = ( 0.3981481 0.3518519 0.7500000), wk = 0.0019920 k( 142) = ( 0.3935185 0.3564815 0.7500000), wk = 0.0019920 k( 143) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0019920 k( 144) = ( 0.3842593 0.3657407 0.7500000), wk = 0.0019920 k( 145) = ( 0.3796296 0.3703704 0.7500000), wk = 0.0019920 k( 146) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019920 k( 147) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019920 k( 148) = ( 0.3703704 0.3703704 0.7407407), wk = 0.0019920 k( 149) = ( 0.3657407 0.3657407 0.7314815), wk = 0.0019920 k( 150) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0019920 k( 151) = ( 0.3564815 0.3564815 0.7129630), wk = 0.0019920 k( 152) = ( 0.3518519 0.3518519 0.7037037), wk = 0.0019920 k( 153) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0019920 k( 154) = ( 0.3425926 0.3425926 0.6851852), wk = 0.0019920 k( 155) = ( 0.3379630 0.3379630 0.6759259), wk = 0.0019920 k( 156) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0019920 k( 157) = ( 0.3287037 0.3287037 0.6574074), wk = 0.0019920 k( 158) = ( 0.3240741 0.3240741 0.6481481), wk = 0.0019920 k( 159) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0019920 k( 160) = ( 0.3148148 0.3148148 0.6296296), wk = 0.0019920 k( 161) = ( 0.3101852 0.3101852 0.6203704), wk = 0.0019920 k( 162) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0019920 k( 163) = ( 0.3009259 0.3009259 0.6018518), wk = 0.0019920 k( 164) = ( 0.2962963 0.2962963 0.5925926), wk = 0.0019920 k( 165) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0019920 k( 166) = ( 0.2870370 0.2870370 0.5740741), wk = 0.0019920 k( 167) = ( 0.2824074 0.2824074 0.5648148), wk = 0.0019920 k( 168) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0019920 k( 169) = ( 0.2731481 0.2731481 0.5462963), wk = 0.0019920 k( 170) = ( 0.2685185 0.2685185 0.5370370), wk = 0.0019920 k( 171) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0019920 k( 172) = ( 0.2592593 0.2592593 0.5185185), wk = 0.0019920 k( 173) = ( 0.2546296 0.2546296 0.5092593), wk = 0.0019920 k( 174) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0019920 k( 175) = ( 0.2453704 0.2453704 0.4907407), wk = 0.0019920 k( 176) = ( 0.2407407 0.2407407 0.4814815), wk = 0.0019920 k( 177) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0019920 k( 178) = ( 0.2314815 0.2314815 0.4629630), wk = 0.0019920 k( 179) = ( 0.2268518 0.2268518 0.4537037), wk = 0.0019920 k( 180) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0019920 k( 181) = ( 0.2175926 0.2175926 0.4351852), wk = 0.0019920 k( 182) = ( 0.2129630 0.2129630 0.4259259), wk = 0.0019920 k( 183) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0019920 k( 184) = ( 0.2037037 0.2037037 0.4074074), wk = 0.0019920 k( 185) = ( 0.1990741 0.1990741 0.3981481), wk = 0.0019920 k( 186) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0019920 k( 187) = ( 0.1898148 0.1898148 0.3796296), wk = 0.0019920 k( 188) = ( 0.1851852 0.1851852 0.3703704), wk = 0.0019920 k( 189) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0019920 k( 190) = ( 0.1759259 0.1759259 0.3518518), wk = 0.0019920 k( 191) = ( 0.1712963 0.1712963 0.3425926), wk = 0.0019920 k( 192) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0019920 k( 193) = ( 0.1620370 0.1620370 0.3240741), wk = 0.0019920 k( 194) = ( 0.1574074 0.1574074 0.3148148), wk = 0.0019920 k( 195) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0019920 k( 196) = ( 0.1481482 0.1481482 0.2962963), wk = 0.0019920 k( 197) = ( 0.1435185 0.1435185 0.2870370), wk = 0.0019920 k( 198) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0019920 k( 199) = ( 0.1342593 0.1342593 0.2685185), wk = 0.0019920 k( 200) = ( 0.1296296 0.1296296 0.2592593), wk = 0.0019920 k( 201) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0019920 k( 202) = ( 0.1203704 0.1203704 0.2407407), wk = 0.0019920 k( 203) = ( 0.1157407 0.1157407 0.2314815), wk = 0.0019920 k( 204) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0019920 k( 205) = ( 0.1064815 0.1064815 0.2129630), wk = 0.0019920 k( 206) = ( 0.1018518 0.1018518 0.2037037), wk = 0.0019920 k( 207) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0019920 k( 208) = ( 0.0925926 0.0925926 0.1851852), wk = 0.0019920 k( 209) = ( 0.0879630 0.0879630 0.1759259), wk = 0.0019920 k( 210) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0019920 k( 211) = ( 0.0787037 0.0787037 0.1574074), wk = 0.0019920 k( 212) = ( 0.0740741 0.0740741 0.1481482), wk = 0.0019920 k( 213) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0019920 k( 214) = ( 0.0648148 0.0648148 0.1296296), wk = 0.0019920 k( 215) = ( 0.0601852 0.0601852 0.1203704), wk = 0.0019920 k( 216) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0019920 k( 217) = ( 0.0509259 0.0509259 0.1018518), wk = 0.0019920 k( 218) = ( 0.0462963 0.0462963 0.0925926), wk = 0.0019920 k( 219) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0019920 k( 220) = ( 0.0370370 0.0370370 0.0740741), wk = 0.0019920 k( 221) = ( 0.0324074 0.0324074 0.0648148), wk = 0.0019920 k( 222) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0019920 k( 223) = ( 0.0231481 0.0231481 0.0462963), wk = 0.0019920 k( 224) = ( 0.0185185 0.0185185 0.0370370), wk = 0.0019920 k( 225) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0019920 k( 226) = ( 0.0092593 0.0092593 0.0185185), wk = 0.0019920 k( 227) = ( 0.0046296 0.0046296 0.0092593), wk = 0.0019920 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019920 k( 230) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0019920 k( 231) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0019920 k( 232) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0019920 k( 233) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0019920 k( 234) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0019920 k( 235) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0019920 k( 236) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0019920 k( 237) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0019920 k( 238) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0019920 k( 239) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0019920 k( 240) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0019920 k( 241) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0019920 k( 242) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0019920 k( 243) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0019920 k( 244) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0019920 k( 245) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0019920 k( 246) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0019920 k( 247) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0019920 k( 248) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0019920 k( 249) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0019920 k( 250) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0019920 k( 251) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0019920 k( 252) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0019920 k( 253) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0019920 k( 254) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0019920 k( 255) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0019920 k( 256) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0019920 k( 257) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0019920 k( 258) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0019920 k( 259) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0019920 k( 260) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0019920 k( 261) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0019920 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019920 k( 263) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0019920 k( 264) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0019920 k( 265) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0019920 k( 266) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0019920 k( 267) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0019920 k( 268) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0019920 k( 269) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0019920 k( 270) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0019920 k( 271) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0019920 k( 272) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0019920 k( 273) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0019920 k( 274) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0019920 k( 275) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0019920 k( 276) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0019920 k( 277) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0019920 k( 278) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0019920 k( 279) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0019920 k( 280) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0019920 k( 281) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0019920 k( 282) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0019920 k( 283) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0019920 k( 284) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0019920 k( 285) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0019920 k( 286) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0019920 k( 287) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0019920 k( 288) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0019920 k( 289) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0019920 k( 290) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0019920 k( 291) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0019920 k( 292) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0019920 k( 293) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0019920 k( 294) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0019920 k( 295) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019920 k( 296) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019920 k( 297) = ( 0.5026596 0.4946809 0.5026596), wk = 0.0019920 k( 298) = ( 0.5053192 0.4893617 0.5053192), wk = 0.0019920 k( 299) = ( 0.5079787 0.4840426 0.5079787), wk = 0.0019920 k( 300) = ( 0.5106383 0.4787234 0.5106383), wk = 0.0019920 k( 301) = ( 0.5132979 0.4734043 0.5132979), wk = 0.0019920 k( 302) = ( 0.5159575 0.4680851 0.5159575), wk = 0.0019920 k( 303) = ( 0.5186170 0.4627660 0.5186170), wk = 0.0019920 k( 304) = ( 0.5212766 0.4574468 0.5212766), wk = 0.0019920 k( 305) = ( 0.5239362 0.4521277 0.5239362), wk = 0.0019920 k( 306) = ( 0.5265957 0.4468085 0.5265957), wk = 0.0019920 k( 307) = ( 0.5292553 0.4414894 0.5292553), wk = 0.0019920 k( 308) = ( 0.5319149 0.4361702 0.5319149), wk = 0.0019920 k( 309) = ( 0.5345745 0.4308511 0.5345745), wk = 0.0019920 k( 310) = ( 0.5372340 0.4255319 0.5372340), wk = 0.0019920 k( 311) = ( 0.5398936 0.4202128 0.5398936), wk = 0.0019920 k( 312) = ( 0.5425532 0.4148936 0.5425532), wk = 0.0019920 k( 313) = ( 0.5452128 0.4095745 0.5452128), wk = 0.0019920 k( 314) = ( 0.5478723 0.4042553 0.5478723), wk = 0.0019920 k( 315) = ( 0.5505319 0.3989362 0.5505319), wk = 0.0019920 k( 316) = ( 0.5531915 0.3936170 0.5531915), wk = 0.0019920 k( 317) = ( 0.5558511 0.3882979 0.5558511), wk = 0.0019920 k( 318) = ( 0.5585106 0.3829787 0.5585106), wk = 0.0019920 k( 319) = ( 0.5611702 0.3776596 0.5611702), wk = 0.0019920 k( 320) = ( 0.5638298 0.3723404 0.5638298), wk = 0.0019920 k( 321) = ( 0.5664894 0.3670213 0.5664894), wk = 0.0019920 k( 322) = ( 0.5691489 0.3617021 0.5691489), wk = 0.0019920 k( 323) = ( 0.5718085 0.3563830 0.5718085), wk = 0.0019920 k( 324) = ( 0.5744681 0.3510638 0.5744681), wk = 0.0019920 k( 325) = ( 0.5771277 0.3457447 0.5771277), wk = 0.0019920 k( 326) = ( 0.5797872 0.3404255 0.5797872), wk = 0.0019920 k( 327) = ( 0.5824468 0.3351064 0.5824468), wk = 0.0019920 k( 328) = ( 0.5851064 0.3297872 0.5851064), wk = 0.0019920 k( 329) = ( 0.5877660 0.3244681 0.5877660), wk = 0.0019920 k( 330) = ( 0.5904255 0.3191489 0.5904255), wk = 0.0019920 k( 331) = ( 0.5930851 0.3138298 0.5930851), wk = 0.0019920 k( 332) = ( 0.5957447 0.3085106 0.5957447), wk = 0.0019920 k( 333) = ( 0.5984043 0.3031915 0.5984043), wk = 0.0019920 k( 334) = ( 0.6010638 0.2978723 0.6010638), wk = 0.0019920 k( 335) = ( 0.6037234 0.2925532 0.6037234), wk = 0.0019920 k( 336) = ( 0.6063830 0.2872340 0.6063830), wk = 0.0019920 k( 337) = ( 0.6090425 0.2819149 0.6090425), wk = 0.0019920 k( 338) = ( 0.6117021 0.2765957 0.6117021), wk = 0.0019920 k( 339) = ( 0.6143617 0.2712766 0.6143617), wk = 0.0019920 k( 340) = ( 0.6170213 0.2659574 0.6170213), wk = 0.0019920 k( 341) = ( 0.6196808 0.2606383 0.6196808), wk = 0.0019920 k( 342) = ( 0.6223404 0.2553191 0.6223404), wk = 0.0019920 k( 343) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019920 k( 344) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019920 k( 345) = ( 0.6203704 0.2500000 0.6296296), wk = 0.0019920 k( 346) = ( 0.6157407 0.2500000 0.6342593), wk = 0.0019920 k( 347) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0019920 k( 348) = ( 0.6064815 0.2500000 0.6435185), wk = 0.0019920 k( 349) = ( 0.6018518 0.2500000 0.6481482), wk = 0.0019920 k( 350) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0019920 k( 351) = ( 0.5925926 0.2500000 0.6574074), wk = 0.0019920 k( 352) = ( 0.5879630 0.2500000 0.6620370), wk = 0.0019920 k( 353) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0019920 k( 354) = ( 0.5787037 0.2500000 0.6712963), wk = 0.0019920 k( 355) = ( 0.5740741 0.2500000 0.6759259), wk = 0.0019920 k( 356) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0019920 k( 357) = ( 0.5648148 0.2500000 0.6851852), wk = 0.0019920 k( 358) = ( 0.5601852 0.2500000 0.6898148), wk = 0.0019920 k( 359) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0019920 k( 360) = ( 0.5509259 0.2500000 0.6990741), wk = 0.0019920 k( 361) = ( 0.5462963 0.2500000 0.7037037), wk = 0.0019920 k( 362) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0019920 k( 363) = ( 0.5370370 0.2500000 0.7129630), wk = 0.0019920 k( 364) = ( 0.5324074 0.2500000 0.7175926), wk = 0.0019920 k( 365) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0019920 k( 366) = ( 0.5231482 0.2500000 0.7268518), wk = 0.0019920 k( 367) = ( 0.5185185 0.2500000 0.7314815), wk = 0.0019920 k( 368) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0019920 k( 369) = ( 0.5092593 0.2500000 0.7407407), wk = 0.0019920 k( 370) = ( 0.5046296 0.2500000 0.7453704), wk = 0.0019920 k( 371) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019920 k( 372) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0019920 k( 373) = ( 0.5000000 0.2546296 0.7453704), wk = 0.0019920 k( 374) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0019920 k( 375) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0019920 k( 376) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0019920 k( 377) = ( 0.5000000 0.2731481 0.7268518), wk = 0.0019920 k( 378) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0019920 k( 379) = ( 0.5000000 0.2824074 0.7175926), wk = 0.0019920 k( 380) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0019920 k( 381) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0019920 k( 382) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0019920 k( 383) = ( 0.5000000 0.3009259 0.6990741), wk = 0.0019920 k( 384) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0019920 k( 385) = ( 0.5000000 0.3101852 0.6898148), wk = 0.0019920 k( 386) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0019920 k( 387) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0019920 k( 388) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0019920 k( 389) = ( 0.5000000 0.3287037 0.6712963), wk = 0.0019920 k( 390) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0019920 k( 391) = ( 0.5000000 0.3379630 0.6620370), wk = 0.0019920 k( 392) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0019920 k( 393) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0019920 k( 394) = ( 0.5000000 0.3518519 0.6481481), wk = 0.0019920 k( 395) = ( 0.5000000 0.3564815 0.6435185), wk = 0.0019920 k( 396) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0019920 k( 397) = ( 0.5000000 0.3657407 0.6342593), wk = 0.0019920 k( 398) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0019920 k( 399) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0019920 k( 400) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0019920 k( 401) = ( 0.5000000 0.3842593 0.6157407), wk = 0.0019920 k( 402) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0019920 k( 403) = ( 0.5000000 0.3935185 0.6064815), wk = 0.0019920 k( 404) = ( 0.5000000 0.3981481 0.6018518), wk = 0.0019920 k( 405) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0019920 k( 406) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0019920 k( 407) = ( 0.5000000 0.4120370 0.5879630), wk = 0.0019920 k( 408) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0019920 k( 409) = ( 0.5000000 0.4212963 0.5787037), wk = 0.0019920 k( 410) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0019920 k( 411) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0019920 k( 412) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0019920 k( 413) = ( 0.5000000 0.4398148 0.5601852), wk = 0.0019920 k( 414) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0019920 k( 415) = ( 0.5000000 0.4490741 0.5509259), wk = 0.0019920 k( 416) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0019920 k( 417) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0019920 k( 418) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0019920 k( 419) = ( 0.5000000 0.4675926 0.5324074), wk = 0.0019920 k( 420) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0019920 k( 421) = ( 0.5000000 0.4768518 0.5231481), wk = 0.0019920 k( 422) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0019920 k( 423) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0019920 k( 424) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0019920 k( 425) = ( 0.5000000 0.4953704 0.5046296), wk = 0.0019920 k( 426) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019920 k( 427) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019920 k( 428) = ( 0.4973404 0.4973404 0.5053192), wk = 0.0019920 k( 429) = ( 0.4946809 0.4946809 0.5106383), wk = 0.0019920 k( 430) = ( 0.4920213 0.4920213 0.5159575), wk = 0.0019920 k( 431) = ( 0.4893617 0.4893617 0.5212766), wk = 0.0019920 k( 432) = ( 0.4867021 0.4867021 0.5265957), wk = 0.0019920 k( 433) = ( 0.4840426 0.4840426 0.5319149), wk = 0.0019920 k( 434) = ( 0.4813830 0.4813830 0.5372340), wk = 0.0019920 k( 435) = ( 0.4787234 0.4787234 0.5425532), wk = 0.0019920 k( 436) = ( 0.4760638 0.4760638 0.5478723), wk = 0.0019920 k( 437) = ( 0.4734043 0.4734043 0.5531915), wk = 0.0019920 k( 438) = ( 0.4707447 0.4707447 0.5585106), wk = 0.0019920 k( 439) = ( 0.4680851 0.4680851 0.5638298), wk = 0.0019920 k( 440) = ( 0.4654255 0.4654255 0.5691489), wk = 0.0019920 k( 441) = ( 0.4627660 0.4627660 0.5744681), wk = 0.0019920 k( 442) = ( 0.4601064 0.4601064 0.5797872), wk = 0.0019920 k( 443) = ( 0.4574468 0.4574468 0.5851064), wk = 0.0019920 k( 444) = ( 0.4547872 0.4547872 0.5904255), wk = 0.0019920 k( 445) = ( 0.4521277 0.4521277 0.5957447), wk = 0.0019920 k( 446) = ( 0.4494681 0.4494681 0.6010638), wk = 0.0019920 k( 447) = ( 0.4468085 0.4468085 0.6063830), wk = 0.0019920 k( 448) = ( 0.4441489 0.4441489 0.6117021), wk = 0.0019920 k( 449) = ( 0.4414894 0.4414894 0.6170213), wk = 0.0019920 k( 450) = ( 0.4388298 0.4388298 0.6223404), wk = 0.0019920 k( 451) = ( 0.4361702 0.4361702 0.6276596), wk = 0.0019920 k( 452) = ( 0.4335106 0.4335106 0.6329787), wk = 0.0019920 k( 453) = ( 0.4308511 0.4308511 0.6382979), wk = 0.0019920 k( 454) = ( 0.4281915 0.4281915 0.6436170), wk = 0.0019920 k( 455) = ( 0.4255319 0.4255319 0.6489362), wk = 0.0019920 k( 456) = ( 0.4228723 0.4228723 0.6542553), wk = 0.0019920 k( 457) = ( 0.4202128 0.4202128 0.6595745), wk = 0.0019920 k( 458) = ( 0.4175532 0.4175532 0.6648936), wk = 0.0019920 k( 459) = ( 0.4148936 0.4148936 0.6702128), wk = 0.0019920 k( 460) = ( 0.4122340 0.4122340 0.6755319), wk = 0.0019920 k( 461) = ( 0.4095745 0.4095745 0.6808511), wk = 0.0019920 k( 462) = ( 0.4069149 0.4069149 0.6861702), wk = 0.0019920 k( 463) = ( 0.4042553 0.4042553 0.6914894), wk = 0.0019920 k( 464) = ( 0.4015957 0.4015957 0.6968085), wk = 0.0019920 k( 465) = ( 0.3989362 0.3989362 0.7021277), wk = 0.0019920 k( 466) = ( 0.3962766 0.3962766 0.7074468), wk = 0.0019920 k( 467) = ( 0.3936170 0.3936170 0.7127660), wk = 0.0019920 k( 468) = ( 0.3909574 0.3909574 0.7180851), wk = 0.0019920 k( 469) = ( 0.3882979 0.3882979 0.7234043), wk = 0.0019920 k( 470) = ( 0.3856383 0.3856383 0.7287234), wk = 0.0019920 k( 471) = ( 0.3829787 0.3829787 0.7340425), wk = 0.0019920 k( 472) = ( 0.3803191 0.3803191 0.7393617), wk = 0.0019920 k( 473) = ( 0.3776596 0.3776596 0.7446808), wk = 0.0019920 k( 474) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0019920 k( 475) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0019920 k( 476) = ( 0.6203704 0.2407407 0.6203704), wk = 0.0019920 k( 477) = ( 0.6157407 0.2314815 0.6157407), wk = 0.0019920 k( 478) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0019920 k( 479) = ( 0.6064815 0.2129630 0.6064815), wk = 0.0019920 k( 480) = ( 0.6018518 0.2037037 0.6018518), wk = 0.0019920 k( 481) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0019920 k( 482) = ( 0.5925926 0.1851852 0.5925926), wk = 0.0019920 k( 483) = ( 0.5879630 0.1759259 0.5879630), wk = 0.0019920 k( 484) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0019920 k( 485) = ( 0.5787037 0.1574074 0.5787037), wk = 0.0019920 k( 486) = ( 0.5740741 0.1481481 0.5740741), wk = 0.0019920 k( 487) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0019920 k( 488) = ( 0.5648148 0.1296296 0.5648148), wk = 0.0019920 k( 489) = ( 0.5601852 0.1203704 0.5601852), wk = 0.0019920 k( 490) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0019920 k( 491) = ( 0.5509259 0.1018518 0.5509259), wk = 0.0019920 k( 492) = ( 0.5462963 0.0925926 0.5462963), wk = 0.0019920 k( 493) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0019920 k( 494) = ( 0.5370370 0.0740741 0.5370370), wk = 0.0019920 k( 495) = ( 0.5324074 0.0648148 0.5324074), wk = 0.0019920 k( 496) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0019920 k( 497) = ( 0.5231482 0.0462963 0.5231482), wk = 0.0019920 k( 498) = ( 0.5185185 0.0370370 0.5185185), wk = 0.0019920 k( 499) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0019920 k( 500) = ( 0.5092593 0.0185185 0.5092593), wk = 0.0019920 k( 501) = ( 0.5046296 0.0092593 0.5046296), wk = 0.0019920 k( 502) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019920 Dense grid: 32935 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 5209 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 42, 26) NL pseudopotentials 0.02 Mb ( 21, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 914) G-vector shells 0.00 Mb ( 275) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 42, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./VN.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.4 secs Computing kpt #: 11 total cpu time spent up to now is 2.5 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 2.9 secs Computing kpt #: 18 total cpu time spent up to now is 3.0 secs Computing kpt #: 19 total cpu time spent up to now is 3.1 secs Computing kpt #: 20 total cpu time spent up to now is 3.1 secs Computing kpt #: 21 total cpu time spent up to now is 3.2 secs Computing kpt #: 22 total cpu time spent up to now is 3.3 secs Computing kpt #: 23 total cpu time spent up to now is 3.3 secs Computing kpt #: 24 total cpu time spent up to now is 3.4 secs Computing kpt #: 25 total cpu time spent up to now is 3.5 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.8 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.9 secs Computing kpt #: 32 total cpu time spent up to now is 4.0 secs Computing kpt #: 33 total cpu time spent up to now is 4.0 secs Computing kpt #: 34 total cpu time spent up to now is 4.1 secs Computing kpt #: 35 total cpu time spent up to now is 4.2 secs Computing kpt #: 36 total cpu time spent up to now is 4.3 secs Computing kpt #: 37 total cpu time spent up to now is 4.3 secs Computing kpt #: 38 total cpu time spent up to now is 4.4 secs Computing kpt #: 39 total cpu time spent up to now is 4.5 secs Computing kpt #: 40 total cpu time spent up to now is 4.5 secs Computing kpt #: 41 total cpu time spent up to now is 4.6 secs Computing kpt #: 42 total cpu time spent up to now is 4.7 secs Computing kpt #: 43 total cpu time spent up to now is 4.7 secs Computing kpt #: 44 total cpu time spent up to now is 4.8 secs Computing kpt #: 45 total cpu time spent up to now is 4.9 secs Computing kpt #: 46 total cpu time spent up to now is 4.9 secs Computing kpt #: 47 total cpu time spent up to now is 5.0 secs Computing kpt #: 48 total cpu time spent up to now is 5.1 secs Computing kpt #: 49 total cpu time spent up to now is 5.2 secs Computing kpt #: 50 total cpu time spent up to now is 5.2 secs Computing kpt #: 51 total cpu time spent up to now is 5.3 secs Computing kpt #: 52 total cpu time spent up to now is 5.4 secs Computing kpt #: 53 total cpu time spent up to now is 5.4 secs Computing kpt #: 54 total cpu time spent up to now is 5.5 secs Computing kpt #: 55 total cpu time spent up to now is 5.6 secs Computing kpt #: 56 total cpu time spent up to now is 5.6 secs Computing kpt #: 57 total cpu time spent up to now is 5.7 secs Computing kpt #: 58 total cpu time spent up to now is 5.8 secs Computing kpt #: 59 total cpu time spent up to now is 5.8 secs Computing kpt #: 60 total cpu time spent up to now is 5.9 secs Computing kpt #: 61 total cpu time spent up to now is 6.0 secs Computing kpt #: 62 total cpu time spent up to now is 6.1 secs Computing kpt #: 63 total cpu time spent up to now is 6.2 secs Computing kpt #: 64 total cpu time spent up to now is 6.3 secs Computing kpt #: 65 total cpu time spent up to now is 6.3 secs Computing kpt #: 66 total cpu time spent up to now is 6.4 secs Computing kpt #: 67 total cpu time spent up to now is 6.5 secs Computing kpt #: 68 total cpu time spent up to now is 6.5 secs Computing kpt #: 69 total cpu time spent up to now is 6.6 secs Computing kpt #: 70 total cpu time spent up to now is 6.7 secs Computing kpt #: 71 total cpu time spent up to now is 6.7 secs Computing kpt #: 72 total cpu time spent up to now is 6.8 secs Computing kpt #: 73 total cpu time spent up to now is 6.9 secs Computing kpt #: 74 total cpu time spent up to now is 7.0 secs Computing kpt #: 75 total cpu time spent up to now is 7.0 secs Computing kpt #: 76 total cpu time spent up to now is 7.1 secs Computing kpt #: 77 total cpu time spent up to now is 7.2 secs Computing kpt #: 78 total cpu time spent up to now is 7.2 secs Computing kpt #: 79 total cpu time spent up to now is 7.3 secs Computing kpt #: 80 total cpu time spent up to now is 7.4 secs Computing kpt #: 81 total cpu time spent up to now is 7.4 secs Computing kpt #: 82 total cpu time spent up to now is 7.5 secs Computing kpt #: 83 total cpu time spent up to now is 7.6 secs Computing kpt #: 84 total cpu time spent up to now is 7.6 secs Computing kpt #: 85 total cpu time spent up to now is 7.7 secs Computing kpt #: 86 total cpu time spent up to now is 7.8 secs Computing kpt #: 87 total cpu time spent up to now is 7.9 secs Computing kpt #: 88 total cpu time spent up to now is 7.9 secs Computing kpt #: 89 total cpu time spent up to now is 8.0 secs Computing kpt #: 90 total cpu time spent up to now is 8.1 secs Computing kpt #: 91 total cpu time spent up to now is 8.1 secs Computing kpt #: 92 total cpu time spent up to now is 8.2 secs Computing kpt #: 93 total cpu time spent up to now is 8.3 secs Computing kpt #: 94 total cpu time spent up to now is 8.3 secs Computing kpt #: 95 total cpu time spent up to now is 8.4 secs Computing kpt #: 96 total cpu time spent up to now is 8.5 secs Computing kpt #: 97 total cpu time spent up to now is 8.5 secs Computing kpt #: 98 total cpu time spent up to now is 8.6 secs Computing kpt #: 99 total cpu time spent up to now is 8.7 secs Computing kpt #: 100 total cpu time spent up to now is 8.7 secs Computing kpt #: 101 total cpu time spent up to now is 8.8 secs Computing kpt #: 102 total cpu time spent up to now is 8.9 secs Computing kpt #: 103 total cpu time spent up to now is 8.9 secs Computing kpt #: 104 total cpu time spent up to now is 9.0 secs Computing kpt #: 105 total cpu time spent up to now is 9.1 secs Computing kpt #: 106 total cpu time spent up to now is 9.1 secs Computing kpt #: 107 total cpu time spent up to now is 9.2 secs Computing kpt #: 108 total cpu time spent up to now is 9.3 secs Computing kpt #: 109 total cpu time spent up to now is 9.3 secs Computing kpt #: 110 total cpu time spent up to now is 9.4 secs Computing kpt #: 111 total cpu time spent up to now is 9.5 secs Computing kpt #: 112 total cpu time spent up to now is 9.5 secs Computing kpt #: 113 total cpu time spent up to now is 9.6 secs Computing kpt #: 114 total cpu time spent up to now is 9.7 secs Computing kpt #: 115 total cpu time spent up to now is 9.7 secs Computing kpt #: 116 total cpu time spent up to now is 9.8 secs Computing kpt #: 117 total cpu time spent up to now is 9.9 secs Computing kpt #: 118 total cpu time spent up to now is 9.9 secs Computing kpt #: 119 total cpu time spent up to now is 10.0 secs Computing kpt #: 120 total cpu time spent up to now is 10.1 secs Computing kpt #: 121 total cpu time spent up to now is 10.1 secs Computing kpt #: 122 total cpu time spent up to now is 10.2 secs Computing kpt #: 123 total cpu time spent up to now is 10.3 secs Computing kpt #: 124 total cpu time spent up to now is 10.3 secs Computing kpt #: 125 total cpu time spent up to now is 10.4 secs Computing kpt #: 126 total cpu time spent up to now is 10.5 secs Computing kpt #: 127 total cpu time spent up to now is 10.5 secs Computing kpt #: 128 total cpu time spent up to now is 10.6 secs Computing kpt #: 129 total cpu time spent up to now is 10.7 secs Computing kpt #: 130 total cpu time spent up to now is 10.7 secs Computing kpt #: 131 total cpu time spent up to now is 10.8 secs Computing kpt #: 132 total cpu time spent up to now is 10.9 secs Computing kpt #: 133 total cpu time spent up to now is 10.9 secs Computing kpt #: 134 total cpu time spent up to now is 11.0 secs Computing kpt #: 135 total cpu time spent up to now is 11.1 secs Computing kpt #: 136 total cpu time spent up to now is 11.1 secs Computing kpt #: 137 total cpu time spent up to now is 11.2 secs Computing kpt #: 138 total cpu time spent up to now is 11.3 secs Computing kpt #: 139 total cpu time spent up to now is 11.3 secs Computing kpt #: 140 total cpu time spent up to now is 11.4 secs Computing kpt #: 141 total cpu time spent up to now is 11.5 secs Computing kpt #: 142 total cpu time spent up to now is 11.5 secs Computing kpt #: 143 total cpu time spent up to now is 11.6 secs Computing kpt #: 144 total cpu time spent up to now is 11.7 secs Computing kpt #: 145 total cpu time spent up to now is 11.7 secs Computing kpt #: 146 total cpu time spent up to now is 11.8 secs Computing kpt #: 147 total cpu time spent up to now is 11.9 secs Computing kpt #: 148 total cpu time spent up to now is 11.9 secs Computing kpt #: 149 total cpu time spent up to now is 12.0 secs Computing kpt #: 150 total cpu time spent up to now is 12.1 secs Computing kpt #: 151 total cpu time spent up to now is 12.1 secs Computing kpt #: 152 total cpu time spent up to now is 12.2 secs Computing kpt #: 153 total cpu time spent up to now is 12.3 secs Computing kpt #: 154 total cpu time spent up to now is 12.3 secs Computing kpt #: 155 total cpu time spent up to now is 12.4 secs Computing kpt #: 156 total cpu time spent up to now is 12.4 secs Computing kpt #: 157 total cpu time spent up to now is 12.5 secs Computing kpt #: 158 total cpu time spent up to now is 12.6 secs Computing kpt #: 159 total cpu time spent up to now is 12.6 secs Computing kpt #: 160 total cpu time spent up to now is 12.7 secs Computing kpt #: 161 total cpu time spent up to now is 12.8 secs Computing kpt #: 162 total cpu time spent up to now is 12.8 secs Computing kpt #: 163 total cpu time spent up to now is 12.9 secs Computing kpt #: 164 total cpu time spent up to now is 13.0 secs Computing kpt #: 165 total cpu time spent up to now is 13.0 secs Computing kpt #: 166 total cpu time spent up to now is 13.1 secs Computing kpt #: 167 total cpu time spent up to now is 13.2 secs Computing kpt #: 168 total cpu time spent up to now is 13.2 secs Computing kpt #: 169 total cpu time spent up to now is 13.3 secs Computing kpt #: 170 total cpu time spent up to now is 13.4 secs Computing kpt #: 171 total cpu time spent up to now is 13.4 secs Computing kpt #: 172 total cpu time spent up to now is 13.5 secs Computing kpt #: 173 total cpu time spent up to now is 13.6 secs Computing kpt #: 174 total cpu time spent up to now is 13.6 secs Computing kpt #: 175 total cpu time spent up to now is 13.7 secs Computing kpt #: 176 total cpu time spent up to now is 13.8 secs Computing kpt #: 177 total cpu time spent up to now is 13.9 secs Computing kpt #: 178 total cpu time spent up to now is 13.9 secs Computing kpt #: 179 total cpu time spent up to now is 14.0 secs Computing kpt #: 180 total cpu time spent up to now is 14.1 secs Computing kpt #: 181 total cpu time spent up to now is 14.1 secs Computing kpt #: 182 total cpu time spent up to now is 14.2 secs Computing kpt #: 183 total cpu time spent up to now is 14.3 secs Computing kpt #: 184 total cpu time spent up to now is 14.3 secs Computing kpt #: 185 total cpu time spent up to now is 14.4 secs Computing kpt #: 186 total cpu time spent up to now is 14.5 secs Computing kpt #: 187 total cpu time spent up to now is 14.5 secs Computing kpt #: 188 total cpu time spent up to now is 14.6 secs Computing kpt #: 189 total cpu time spent up to now is 14.7 secs Computing kpt #: 190 total cpu time spent up to now is 14.8 secs Computing kpt #: 191 total cpu time spent up to now is 14.8 secs Computing kpt #: 192 total cpu time spent up to now is 14.9 secs Computing kpt #: 193 total cpu time spent up to now is 15.0 secs Computing kpt #: 194 total cpu time spent up to now is 15.0 secs Computing kpt #: 195 total cpu time spent up to now is 15.1 secs Computing kpt #: 196 total cpu time spent up to now is 15.2 secs Computing kpt #: 197 total cpu time spent up to now is 15.2 secs Computing kpt #: 198 total cpu time spent up to now is 15.3 secs Computing kpt #: 199 total cpu time spent up to now is 15.4 secs Computing kpt #: 200 total cpu time spent up to now is 15.5 secs Computing kpt #: 201 total cpu time spent up to now is 15.5 secs Computing kpt #: 202 total cpu time spent up to now is 15.6 secs Computing kpt #: 203 total cpu time spent up to now is 15.7 secs Computing kpt #: 204 total cpu time spent up to now is 15.7 secs Computing kpt #: 205 total cpu time spent up to now is 15.8 secs Computing kpt #: 206 total cpu time spent up to now is 15.9 secs Computing kpt #: 207 total cpu time spent up to now is 15.9 secs Computing kpt #: 208 total cpu time spent up to now is 16.0 secs Computing kpt #: 209 total cpu time spent up to now is 16.1 secs Computing kpt #: 210 total cpu time spent up to now is 16.2 secs Computing kpt #: 211 total cpu time spent up to now is 16.2 secs Computing kpt #: 212 total cpu time spent up to now is 16.3 secs Computing kpt #: 213 total cpu time spent up to now is 16.4 secs Computing kpt #: 214 total cpu time spent up to now is 16.4 secs Computing kpt #: 215 total cpu time spent up to now is 16.5 secs Computing kpt #: 216 total cpu time spent up to now is 16.6 secs Computing kpt #: 217 total cpu time spent up to now is 16.6 secs Computing kpt #: 218 total cpu time spent up to now is 16.7 secs Computing kpt #: 219 total cpu time spent up to now is 16.8 secs Computing kpt #: 220 total cpu time spent up to now is 16.8 secs Computing kpt #: 221 total cpu time spent up to now is 16.9 secs Computing kpt #: 222 total cpu time spent up to now is 17.0 secs Computing kpt #: 223 total cpu time spent up to now is 17.0 secs Computing kpt #: 224 total cpu time spent up to now is 17.1 secs Computing kpt #: 225 total cpu time spent up to now is 17.1 secs Computing kpt #: 226 total cpu time spent up to now is 17.2 secs Computing kpt #: 227 total cpu time spent up to now is 17.3 secs Computing kpt #: 228 total cpu time spent up to now is 17.3 secs Computing kpt #: 229 total cpu time spent up to now is 17.4 secs Computing kpt #: 230 total cpu time spent up to now is 17.5 secs Computing kpt #: 231 total cpu time spent up to now is 17.5 secs Computing kpt #: 232 total cpu time spent up to now is 17.6 secs Computing kpt #: 233 total cpu time spent up to now is 17.6 secs Computing kpt #: 234 total cpu time spent up to now is 17.7 secs Computing kpt #: 235 total cpu time spent up to now is 17.8 secs Computing kpt #: 236 total cpu time spent up to now is 17.8 secs Computing kpt #: 237 total cpu time spent up to now is 17.9 secs Computing kpt #: 238 total cpu time spent up to now is 18.0 secs Computing kpt #: 239 total cpu time spent up to now is 18.0 secs Computing kpt #: 240 total cpu time spent up to now is 18.1 secs Computing kpt #: 241 total cpu time spent up to now is 18.2 secs Computing kpt #: 242 total cpu time spent up to now is 18.2 secs Computing kpt #: 243 total cpu time spent up to now is 18.3 secs Computing kpt #: 244 total cpu time spent up to now is 18.4 secs Computing kpt #: 245 total cpu time spent up to now is 18.5 secs Computing kpt #: 246 total cpu time spent up to now is 18.5 secs Computing kpt #: 247 total cpu time spent up to now is 18.6 secs Computing kpt #: 248 total cpu time spent up to now is 18.7 secs Computing kpt #: 249 total cpu time spent up to now is 18.7 secs Computing kpt #: 250 total cpu time spent up to now is 18.8 secs Computing kpt #: 251 total cpu time spent up to now is 18.9 secs Computing kpt #: 252 total cpu time spent up to now is 18.9 secs Computing kpt #: 253 total cpu time spent up to now is 19.0 secs Computing kpt #: 254 total cpu time spent up to now is 19.1 secs Computing kpt #: 255 total cpu time spent up to now is 19.2 secs Computing kpt #: 256 total cpu time spent up to now is 19.2 secs Computing kpt #: 257 total cpu time spent up to now is 19.3 secs Computing kpt #: 258 total cpu time spent up to now is 19.4 secs Computing kpt #: 259 total cpu time spent up to now is 19.5 secs Computing kpt #: 260 total cpu time spent up to now is 19.6 secs Computing kpt #: 261 total cpu time spent up to now is 19.7 secs Computing kpt #: 262 total cpu time spent up to now is 19.8 secs Computing kpt #: 263 total cpu time spent up to now is 19.9 secs Computing kpt #: 264 total cpu time spent up to now is 19.9 secs Computing kpt #: 265 total cpu time spent up to now is 20.0 secs Computing kpt #: 266 total cpu time spent up to now is 20.1 secs Computing kpt #: 267 total cpu time spent up to now is 20.2 secs Computing kpt #: 268 total cpu time spent up to now is 20.3 secs Computing kpt #: 269 total cpu time spent up to now is 20.4 secs Computing kpt #: 270 total cpu time spent up to now is 20.5 secs Computing kpt #: 271 total cpu time spent up to now is 20.6 secs Computing kpt #: 272 total cpu time spent up to now is 20.7 secs Computing kpt #: 273 total cpu time spent up to now is 20.8 secs Computing kpt #: 274 total cpu time spent up to now is 20.9 secs Computing kpt #: 275 total cpu time spent up to now is 21.0 secs Computing kpt #: 276 total cpu time spent up to now is 21.0 secs Computing kpt #: 277 total cpu time spent up to now is 21.2 secs Computing kpt #: 278 total cpu time spent up to now is 21.3 secs Computing kpt #: 279 total cpu time spent up to now is 21.4 secs Computing kpt #: 280 total cpu time spent up to now is 21.4 secs Computing kpt #: 281 total cpu time spent up to now is 21.5 secs Computing kpt #: 282 total cpu time spent up to now is 21.6 secs Computing kpt #: 283 total cpu time spent up to now is 21.6 secs Computing kpt #: 284 total cpu time spent up to now is 21.7 secs Computing kpt #: 285 total cpu time spent up to now is 21.8 secs Computing kpt #: 286 total cpu time spent up to now is 21.9 secs Computing kpt #: 287 total cpu time spent up to now is 21.9 secs Computing kpt #: 288 total cpu time spent up to now is 22.0 secs Computing kpt #: 289 total cpu time spent up to now is 22.1 secs Computing kpt #: 290 total cpu time spent up to now is 22.1 secs Computing kpt #: 291 total cpu time spent up to now is 22.2 secs Computing kpt #: 292 total cpu time spent up to now is 22.3 secs Computing kpt #: 293 total cpu time spent up to now is 22.3 secs Computing kpt #: 294 total cpu time spent up to now is 22.4 secs Computing kpt #: 295 total cpu time spent up to now is 22.5 secs Computing kpt #: 296 total cpu time spent up to now is 22.5 secs Computing kpt #: 297 total cpu time spent up to now is 22.6 secs Computing kpt #: 298 total cpu time spent up to now is 22.7 secs Computing kpt #: 299 total cpu time spent up to now is 22.7 secs Computing kpt #: 300 total cpu time spent up to now is 22.8 secs Computing kpt #: 301 total cpu time spent up to now is 22.9 secs Computing kpt #: 302 total cpu time spent up to now is 22.9 secs Computing kpt #: 303 total cpu time spent up to now is 23.0 secs Computing kpt #: 304 total cpu time spent up to now is 23.1 secs Computing kpt #: 305 total cpu time spent up to now is 23.2 secs Computing kpt #: 306 total cpu time spent up to now is 23.2 secs Computing kpt #: 307 total cpu time spent up to now is 23.3 secs Computing kpt #: 308 total cpu time spent up to now is 23.4 secs Computing kpt #: 309 total cpu time spent up to now is 23.4 secs Computing kpt #: 310 total cpu time spent up to now is 23.5 secs Computing kpt #: 311 total cpu time spent up to now is 23.6 secs Computing kpt #: 312 total cpu time spent up to now is 23.6 secs Computing kpt #: 313 total cpu time spent up to now is 23.7 secs Computing kpt #: 314 total cpu time spent up to now is 23.8 secs Computing kpt #: 315 total cpu time spent up to now is 23.8 secs Computing kpt #: 316 total cpu time spent up to now is 23.9 secs Computing kpt #: 317 total cpu time spent up to now is 24.0 secs Computing kpt #: 318 total cpu time spent up to now is 24.0 secs Computing kpt #: 319 total cpu time spent up to now is 24.1 secs Computing kpt #: 320 total cpu time spent up to now is 24.2 secs Computing kpt #: 321 total cpu time spent up to now is 24.2 secs Computing kpt #: 322 total cpu time spent up to now is 24.3 secs Computing kpt #: 323 total cpu time spent up to now is 24.4 secs Computing kpt #: 324 total cpu time spent up to now is 24.4 secs Computing kpt #: 325 total cpu time spent up to now is 24.5 secs Computing kpt #: 326 total cpu time spent up to now is 24.6 secs Computing kpt #: 327 total cpu time spent up to now is 24.6 secs Computing kpt #: 328 total cpu time spent up to now is 24.7 secs Computing kpt #: 329 total cpu time spent up to now is 24.8 secs Computing kpt #: 330 total cpu time spent up to now is 24.8 secs Computing kpt #: 331 total cpu time spent up to now is 24.9 secs Computing kpt #: 332 total cpu time spent up to now is 24.9 secs Computing kpt #: 333 total cpu time spent up to now is 25.0 secs Computing kpt #: 334 total cpu time spent up to now is 25.1 secs Computing kpt #: 335 total cpu time spent up to now is 25.1 secs Computing kpt #: 336 total cpu time spent up to now is 25.2 secs Computing kpt #: 337 total cpu time spent up to now is 25.3 secs Computing kpt #: 338 total cpu time spent up to now is 25.3 secs Computing kpt #: 339 total cpu time spent up to now is 25.4 secs Computing kpt #: 340 total cpu time spent up to now is 25.5 secs Computing kpt #: 341 total cpu time spent up to now is 25.5 secs Computing kpt #: 342 total cpu time spent up to now is 25.6 secs Computing kpt #: 343 total cpu time spent up to now is 25.7 secs Computing kpt #: 344 total cpu time spent up to now is 25.7 secs Computing kpt #: 345 total cpu time spent up to now is 25.8 secs Computing kpt #: 346 total cpu time spent up to now is 25.9 secs Computing kpt #: 347 total cpu time spent up to now is 25.9 secs Computing kpt #: 348 total cpu time spent up to now is 26.0 secs Computing kpt #: 349 total cpu time spent up to now is 26.1 secs Computing kpt #: 350 total cpu time spent up to now is 26.1 secs Computing kpt #: 351 total cpu time spent up to now is 26.2 secs Computing kpt #: 352 total cpu time spent up to now is 26.3 secs Computing kpt #: 353 total cpu time spent up to now is 26.3 secs Computing kpt #: 354 total cpu time spent up to now is 26.4 secs Computing kpt #: 355 total cpu time spent up to now is 26.5 secs Computing kpt #: 356 total cpu time spent up to now is 26.5 secs Computing kpt #: 357 total cpu time spent up to now is 26.6 secs Computing kpt #: 358 total cpu time spent up to now is 26.7 secs Computing kpt #: 359 total cpu time spent up to now is 26.7 secs Computing kpt #: 360 total cpu time spent up to now is 26.8 secs Computing kpt #: 361 total cpu time spent up to now is 26.9 secs Computing kpt #: 362 total cpu time spent up to now is 26.9 secs Computing kpt #: 363 total cpu time spent up to now is 27.0 secs Computing kpt #: 364 total cpu time spent up to now is 27.1 secs Computing kpt #: 365 total cpu time spent up to now is 27.1 secs Computing kpt #: 366 total cpu time spent up to now is 27.2 secs Computing kpt #: 367 total cpu time spent up to now is 27.3 secs Computing kpt #: 368 total cpu time spent up to now is 27.3 secs Computing kpt #: 369 total cpu time spent up to now is 27.4 secs Computing kpt #: 370 total cpu time spent up to now is 27.5 secs Computing kpt #: 371 total cpu time spent up to now is 27.5 secs Computing kpt #: 372 total cpu time spent up to now is 27.6 secs Computing kpt #: 373 total cpu time spent up to now is 27.7 secs Computing kpt #: 374 total cpu time spent up to now is 27.7 secs Computing kpt #: 375 total cpu time spent up to now is 27.8 secs Computing kpt #: 376 total cpu time spent up to now is 27.9 secs Computing kpt #: 377 total cpu time spent up to now is 27.9 secs Computing kpt #: 378 total cpu time spent up to now is 28.0 secs Computing kpt #: 379 total cpu time spent up to now is 28.1 secs Computing kpt #: 380 total cpu time spent up to now is 28.1 secs Computing kpt #: 381 total cpu time spent up to now is 28.2 secs Computing kpt #: 382 total cpu time spent up to now is 28.3 secs Computing kpt #: 383 total cpu time spent up to now is 28.3 secs Computing kpt #: 384 total cpu time spent up to now is 28.4 secs Computing kpt #: 385 total cpu time spent up to now is 28.5 secs Computing kpt #: 386 total cpu time spent up to now is 28.5 secs Computing kpt #: 387 total cpu time spent up to now is 28.6 secs Computing kpt #: 388 total cpu time spent up to now is 28.6 secs Computing kpt #: 389 total cpu time spent up to now is 28.7 secs Computing kpt #: 390 total cpu time spent up to now is 28.8 secs Computing kpt #: 391 total cpu time spent up to now is 28.8 secs Computing kpt #: 392 total cpu time spent up to now is 28.9 secs Computing kpt #: 393 total cpu time spent up to now is 29.0 secs Computing kpt #: 394 total cpu time spent up to now is 29.0 secs Computing kpt #: 395 total cpu time spent up to now is 29.1 secs Computing kpt #: 396 total cpu time spent up to now is 29.2 secs Computing kpt #: 397 total cpu time spent up to now is 29.2 secs Computing kpt #: 398 total cpu time spent up to now is 29.3 secs Computing kpt #: 399 total cpu time spent up to now is 29.4 secs Computing kpt #: 400 total cpu time spent up to now is 29.4 secs Computing kpt #: 401 total cpu time spent up to now is 29.5 secs Computing kpt #: 402 total cpu time spent up to now is 29.6 secs Computing kpt #: 403 total cpu time spent up to now is 29.6 secs Computing kpt #: 404 total cpu time spent up to now is 29.7 secs Computing kpt #: 405 total cpu time spent up to now is 29.8 secs Computing kpt #: 406 total cpu time spent up to now is 29.8 secs Computing kpt #: 407 total cpu time spent up to now is 29.9 secs Computing kpt #: 408 total cpu time spent up to now is 30.0 secs Computing kpt #: 409 total cpu time spent up to now is 30.0 secs Computing kpt #: 410 total cpu time spent up to now is 30.1 secs Computing kpt #: 411 total cpu time spent up to now is 30.2 secs Computing kpt #: 412 total cpu time spent up to now is 30.2 secs Computing kpt #: 413 total cpu time spent up to now is 30.3 secs Computing kpt #: 414 total cpu time spent up to now is 30.4 secs Computing kpt #: 415 total cpu time spent up to now is 30.4 secs Computing kpt #: 416 total cpu time spent up to now is 30.5 secs Computing kpt #: 417 total cpu time spent up to now is 30.6 secs Computing kpt #: 418 total cpu time spent up to now is 30.6 secs Computing kpt #: 419 total cpu time spent up to now is 30.7 secs Computing kpt #: 420 total cpu time spent up to now is 30.8 secs Computing kpt #: 421 total cpu time spent up to now is 30.9 secs Computing kpt #: 422 total cpu time spent up to now is 30.9 secs Computing kpt #: 423 total cpu time spent up to now is 31.0 secs Computing kpt #: 424 total cpu time spent up to now is 31.1 secs Computing kpt #: 425 total cpu time spent up to now is 31.1 secs Computing kpt #: 426 total cpu time spent up to now is 31.2 secs Computing kpt #: 427 total cpu time spent up to now is 31.3 secs Computing kpt #: 428 total cpu time spent up to now is 31.3 secs Computing kpt #: 429 total cpu time spent up to now is 31.4 secs Computing kpt #: 430 total cpu time spent up to now is 31.5 secs Computing kpt #: 431 total cpu time spent up to now is 31.5 secs Computing kpt #: 432 total cpu time spent up to now is 31.6 secs Computing kpt #: 433 total cpu time spent up to now is 31.7 secs Computing kpt #: 434 total cpu time spent up to now is 31.8 secs Computing kpt #: 435 total cpu time spent up to now is 31.8 secs Computing kpt #: 436 total cpu time spent up to now is 31.9 secs Computing kpt #: 437 total cpu time spent up to now is 32.0 secs Computing kpt #: 438 total cpu time spent up to now is 32.0 secs Computing kpt #: 439 total cpu time spent up to now is 32.1 secs Computing kpt #: 440 total cpu time spent up to now is 32.2 secs Computing kpt #: 441 total cpu time spent up to now is 32.2 secs Computing kpt #: 442 total cpu time spent up to now is 32.3 secs Computing kpt #: 443 total cpu time spent up to now is 32.4 secs Computing kpt #: 444 total cpu time spent up to now is 32.4 secs Computing kpt #: 445 total cpu time spent up to now is 32.5 secs Computing kpt #: 446 total cpu time spent up to now is 32.6 secs Computing kpt #: 447 total cpu time spent up to now is 32.7 secs Computing kpt #: 448 total cpu time spent up to now is 32.7 secs Computing kpt #: 449 total cpu time spent up to now is 32.8 secs Computing kpt #: 450 total cpu time spent up to now is 32.8 secs Computing kpt #: 451 total cpu time spent up to now is 32.9 secs Computing kpt #: 452 total cpu time spent up to now is 33.0 secs Computing kpt #: 453 total cpu time spent up to now is 33.0 secs Computing kpt #: 454 total cpu time spent up to now is 33.1 secs Computing kpt #: 455 total cpu time spent up to now is 33.2 secs Computing kpt #: 456 total cpu time spent up to now is 33.2 secs Computing kpt #: 457 total cpu time spent up to now is 33.3 secs Computing kpt #: 458 total cpu time spent up to now is 33.4 secs Computing kpt #: 459 total cpu time spent up to now is 33.4 secs Computing kpt #: 460 total cpu time spent up to now is 33.5 secs Computing kpt #: 461 total cpu time spent up to now is 33.6 secs Computing kpt #: 462 total cpu time spent up to now is 33.6 secs Computing kpt #: 463 total cpu time spent up to now is 33.7 secs Computing kpt #: 464 total cpu time spent up to now is 33.8 secs Computing kpt #: 465 total cpu time spent up to now is 33.8 secs Computing kpt #: 466 total cpu time spent up to now is 33.9 secs Computing kpt #: 467 total cpu time spent up to now is 33.9 secs Computing kpt #: 468 total cpu time spent up to now is 34.0 secs Computing kpt #: 469 total cpu time spent up to now is 34.1 secs Computing kpt #: 470 total cpu time spent up to now is 34.1 secs Computing kpt #: 471 total cpu time spent up to now is 34.2 secs Computing kpt #: 472 total cpu time spent up to now is 34.3 secs Computing kpt #: 473 total cpu time spent up to now is 34.3 secs Computing kpt #: 474 total cpu time spent up to now is 34.4 secs Computing kpt #: 475 total cpu time spent up to now is 34.5 secs Computing kpt #: 476 total cpu time spent up to now is 34.5 secs Computing kpt #: 477 total cpu time spent up to now is 34.6 secs Computing kpt #: 478 total cpu time spent up to now is 34.7 secs Computing kpt #: 479 total cpu time spent up to now is 34.7 secs Computing kpt #: 480 total cpu time spent up to now is 34.8 secs Computing kpt #: 481 total cpu time spent up to now is 34.9 secs Computing kpt #: 482 total cpu time spent up to now is 34.9 secs Computing kpt #: 483 total cpu time spent up to now is 35.0 secs Computing kpt #: 484 total cpu time spent up to now is 35.1 secs Computing kpt #: 485 total cpu time spent up to now is 35.1 secs Computing kpt #: 486 total cpu time spent up to now is 35.2 secs Computing kpt #: 487 total cpu time spent up to now is 35.3 secs Computing kpt #: 488 total cpu time spent up to now is 35.4 secs Computing kpt #: 489 total cpu time spent up to now is 35.4 secs Computing kpt #: 490 total cpu time spent up to now is 35.5 secs Computing kpt #: 491 total cpu time spent up to now is 35.6 secs Computing kpt #: 492 total cpu time spent up to now is 35.6 secs Computing kpt #: 493 total cpu time spent up to now is 35.7 secs Computing kpt #: 494 total cpu time spent up to now is 35.8 secs Computing kpt #: 495 total cpu time spent up to now is 35.8 secs Computing kpt #: 496 total cpu time spent up to now is 35.9 secs Computing kpt #: 497 total cpu time spent up to now is 36.0 secs Computing kpt #: 498 total cpu time spent up to now is 36.1 secs Computing kpt #: 499 total cpu time spent up to now is 36.1 secs Computing kpt #: 500 total cpu time spent up to now is 36.2 secs Computing kpt #: 501 total cpu time spent up to now is 36.3 secs Computing kpt #: 502 total cpu time spent up to now is 36.4 secs ethr = 5.56E-08, avg # of iterations = 8.8 total cpu time spent up to now is 36.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1689 -21.1689 -20.3313 -20.3313 -20.3313 -20.3313 0.4919 0.4919 16.1927 16.1927 16.2292 16.2292 16.2292 16.2292 16.9127 16.9127 16.9127 16.9127 16.9490 16.9490 17.9850 17.9850 17.9850 17.9850 k = 0.0065-0.0037 0.0053 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1690 -21.1690 -20.3315 -20.3315 -20.3314 -20.3314 0.4931 0.4931 16.1820 16.1820 16.2158 16.2158 16.2215 16.2215 16.9144 16.9144 16.9216 16.9216 16.9549 16.9549 17.9854 17.9854 18.0002 18.0002 k = 0.0130-0.0075 0.0106 ( 645 PWs) bands (ev): -46.9813 -46.9813 -21.1693 -21.1693 -20.3319 -20.3319 -20.3316 -20.3316 0.4966 0.4966 16.1449 16.1449 16.1832 16.1832 16.1995 16.1995 16.9151 16.9151 16.9469 16.9469 16.9759 16.9759 17.9865 17.9865 18.0442 18.0442 k = 0.0195-0.0112 0.0159 ( 645 PWs) bands (ev): -46.9811 -46.9811 -21.1699 -21.1699 -20.3327 -20.3327 -20.3319 -20.3319 0.5023 0.5023 16.0755 16.0755 16.1443 16.1443 16.1657 16.1657 16.9116 16.9116 16.9860 16.9860 17.0127 17.0127 17.9884 17.9884 18.1126 18.1126 k = 0.0260-0.0150 0.0212 ( 645 PWs) bands (ev): -46.9808 -46.9808 -21.1706 -21.1706 -20.3338 -20.3338 -20.3324 -20.3324 0.5103 0.5103 15.9812 15.9812 16.1002 16.1002 16.1233 16.1233 16.9045 16.9045 17.0358 17.0358 17.0613 17.0613 17.9910 17.9910 18.2001 18.2001 k = 0.0325-0.0187 0.0265 ( 645 PWs) bands (ev): -46.9804 -46.9804 -21.1715 -21.1715 -20.3352 -20.3352 -20.3330 -20.3330 0.5206 0.5206 15.8695 15.8695 16.0512 16.0512 16.0750 16.0750 16.8947 16.8947 17.0936 17.0936 17.1185 17.1185 17.9944 17.9944 18.3016 18.3016 k = 0.0390-0.0225 0.0318 ( 653 PWs) bands (ev): -46.9800 -46.9800 -21.1727 -21.1727 -20.3369 -20.3369 -20.3338 -20.3338 0.5332 0.5332 15.7453 15.7453 15.9986 15.9986 16.0228 16.0228 16.8824 16.8824 17.1572 17.1572 17.1818 17.1818 17.9985 17.9985 18.4128 18.4128 k = 0.0455-0.0262 0.0371 ( 653 PWs) bands (ev): -46.9795 -46.9795 -21.1740 -21.1740 -20.3389 -20.3389 -20.3346 -20.3346 0.5479 0.5479 15.6120 15.6120 15.9438 15.9438 15.9682 15.9682 16.8677 16.8677 17.2252 17.2252 17.2496 17.2496 18.0034 18.0034 18.5305 18.5305 k = 0.0519-0.0300 0.0424 ( 665 PWs) bands (ev): -46.9790 -46.9790 -21.1755 -21.1755 -20.3412 -20.3412 -20.3356 -20.3356 0.5649 0.5649 15.4721 15.4721 15.8876 15.8876 15.9121 15.9121 16.8507 16.8507 17.2964 17.2964 17.3208 17.3208 18.0089 18.0089 18.6522 18.6522 k = 0.0584-0.0337 0.0477 ( 665 PWs) bands (ev): -46.9783 -46.9783 -21.1773 -21.1773 -20.3438 -20.3438 -20.3368 -20.3368 0.5839 0.5839 15.3278 15.3278 15.8309 15.8309 15.8556 15.8556 16.8317 16.8317 17.3702 17.3702 17.3945 17.3945 18.0152 18.0152 18.7760 18.7760 k = 0.0649-0.0375 0.0530 ( 661 PWs) bands (ev): -46.9776 -46.9776 -21.1792 -21.1792 -20.3467 -20.3467 -20.3380 -20.3380 0.6051 0.6051 15.1803 15.1803 15.7742 15.7742 15.7990 15.7990 16.8105 16.8105 17.4458 17.4458 17.4701 17.4701 18.0223 18.0223 18.9005 18.9005 k = 0.0714-0.0412 0.0583 ( 661 PWs) bands (ev): -46.9768 -46.9768 -21.1813 -21.1813 -20.3499 -20.3499 -20.3394 -20.3394 0.6283 0.6283 15.0307 15.0307 15.7179 15.7179 15.7428 15.7428 16.7873 16.7873 17.5228 17.5228 17.5472 17.5472 18.0300 18.0300 19.0245 19.0245 k = 0.0779-0.0450 0.0636 ( 661 PWs) bands (ev): -46.9759 -46.9759 -21.1837 -21.1837 -20.3533 -20.3533 -20.3410 -20.3410 0.6535 0.6535 14.8801 14.8801 15.6622 15.6622 15.6873 15.6873 16.7622 16.7622 17.6009 17.6009 17.6253 17.6253 18.0385 18.0385 19.1473 19.1473 k = 0.0844-0.0487 0.0689 ( 657 PWs) bands (ev): -46.9749 -46.9749 -21.1862 -21.1862 -20.3570 -20.3570 -20.3426 -20.3426 0.6806 0.6806 14.7289 14.7289 15.6073 15.6073 15.6326 15.6326 16.7352 16.7352 17.6798 17.6798 17.7041 17.7041 18.0477 18.0477 19.2681 19.2681 k = 0.0909-0.0525 0.0742 ( 665 PWs) bands (ev): -46.9740 -46.9740 -21.1888 -21.1888 -20.3609 -20.3609 -20.3443 -20.3443 0.7096 0.7096 14.5779 14.5779 15.5535 15.5535 15.5789 15.5789 16.7064 16.7064 17.7590 17.7590 17.7833 17.7833 18.0576 18.0576 19.3866 19.3866 k = 0.0974-0.0562 0.0795 ( 665 PWs) bands (ev): -46.9729 -46.9729 -21.1917 -21.1917 -20.3651 -20.3651 -20.3462 -20.3462 0.7403 0.7403 14.4275 14.4275 15.5009 15.5009 15.5265 15.5265 16.6758 16.6758 17.8386 17.8386 17.8627 17.8627 18.0683 18.0683 19.5022 19.5022 k = 0.1039-0.0600 0.0848 ( 665 PWs) bands (ev): -46.9717 -46.9717 -21.1947 -21.1947 -20.3695 -20.3695 -20.3482 -20.3482 0.7728 0.7728 14.2782 14.2782 15.4496 15.4496 15.4753 15.4753 16.6437 16.6437 17.9183 17.9183 17.9419 17.9419 18.0799 18.0799 19.6148 19.6148 k = 0.1104-0.0637 0.0901 ( 665 PWs) bands (ev): -46.9705 -46.9705 -21.1979 -21.1979 -20.3741 -20.3741 -20.3503 -20.3503 0.8069 0.8069 14.1303 14.1303 15.3996 15.3996 15.4256 15.4256 16.6099 16.6099 17.9978 17.9978 18.0197 18.0197 18.0934 18.0934 19.7241 19.7241 k = 0.1169-0.0675 0.0954 ( 665 PWs) bands (ev): -46.9692 -46.9692 -21.2013 -21.2013 -20.3789 -20.3789 -20.3525 -20.3525 0.8426 0.8426 13.9841 13.9841 15.3511 15.3511 15.3773 15.3773 16.5747 16.5747 18.0770 18.0770 18.0862 18.0862 18.1186 18.1186 19.8299 19.8299 k = 0.1234-0.0712 0.1007 ( 665 PWs) bands (ev): -46.9679 -46.9679 -21.2048 -21.2048 -20.3840 -20.3840 -20.3548 -20.3548 0.8797 0.8797 13.8399 13.8399 15.3042 15.3042 15.3306 15.3306 16.5381 16.5381 18.1110 18.1110 18.1557 18.1557 18.1855 18.1855 19.9322 19.9322 k = 0.1299-0.0750 0.1060 ( 665 PWs) bands (ev): -46.9665 -46.9665 -21.2085 -21.2085 -20.3892 -20.3892 -20.3572 -20.3572 0.9181 0.9181 13.6981 13.6981 15.2588 15.2588 15.2854 15.2854 16.5002 16.5002 18.1262 18.1262 18.2338 18.2338 18.2620 18.2620 20.0308 20.0308 k = 0.1364-0.0787 0.1113 ( 665 PWs) bands (ev): -46.9651 -46.9651 -21.2123 -21.2123 -20.3946 -20.3946 -20.3597 -20.3597 0.9578 0.9578 13.5588 13.5588 15.2150 15.2150 15.2418 15.2418 16.4611 16.4611 18.1408 18.1408 18.3111 18.3111 18.3389 18.3389 20.1259 20.1259 k = 0.1429-0.0825 0.1166 ( 665 PWs) bands (ev): -46.9636 -46.9636 -21.2163 -21.2163 -20.4001 -20.4001 -20.3622 -20.3622 0.9987 0.9987 13.4222 13.4222 15.1728 15.1728 15.1999 15.1999 16.4209 16.4209 18.1556 18.1556 18.3875 18.3875 18.4152 18.4152 20.2173 20.2173 k = 0.1494-0.0862 0.1219 ( 665 PWs) bands (ev): -46.9621 -46.9621 -21.2204 -21.2204 -20.4059 -20.4059 -20.3649 -20.3649 1.0405 1.0405 13.2887 13.2887 15.1324 15.1324 15.1597 15.1597 16.3797 16.3797 18.1708 18.1708 18.4627 18.4627 18.4905 18.4905 20.3051 20.3051 k = 0.1558-0.0900 0.1272 ( 665 PWs) bands (ev): -46.9605 -46.9605 -21.2246 -21.2246 -20.4117 -20.4117 -20.3676 -20.3676 1.0833 1.0833 13.1584 13.1584 15.0936 15.0936 15.1212 15.1212 16.3376 16.3376 18.1864 18.1864 18.5368 18.5368 18.5646 18.5646 20.3895 20.3895 k = 0.1623-0.0937 0.1325 ( 665 PWs) bands (ev): -46.9588 -46.9588 -21.2289 -21.2289 -20.4177 -20.4177 -20.3705 -20.3705 1.1269 1.1269 13.0314 13.0314 15.0565 15.0565 15.0844 15.0844 16.2946 16.2946 18.2025 18.2025 18.6094 18.6094 18.6374 18.6374 20.4703 20.4703 k = 0.1688-0.0975 0.1379 ( 665 PWs) bands (ev): -46.9572 -46.9572 -21.2334 -21.2334 -20.4238 -20.4238 -20.3734 -20.3734 1.1711 1.1711 12.9081 12.9081 15.0211 15.0211 15.0493 15.0493 16.2508 16.2508 18.2190 18.2190 18.6805 18.6805 18.7088 18.7088 20.5478 20.5478 k = 0.1753-0.1012 0.1432 ( 665 PWs) bands (ev): -46.9555 -46.9555 -21.2379 -21.2379 -20.4300 -20.4300 -20.3763 -20.3763 1.2159 1.2159 12.7885 12.7885 14.9875 14.9875 15.0160 15.0160 16.2064 16.2064 18.2359 18.2359 18.7500 18.7500 18.7785 18.7785 20.6221 20.6221 k = 0.1818-0.1050 0.1485 ( 665 PWs) bands (ev): -46.9537 -46.9537 -21.2426 -21.2426 -20.4362 -20.4362 -20.3793 -20.3793 1.2611 1.2611 12.6728 12.6728 14.9555 14.9555 14.9844 14.9844 16.1615 16.1615 18.2531 18.2531 18.8177 18.8177 18.8464 18.8464 20.6931 20.6931 k = 0.1883-0.1087 0.1538 ( 661 PWs) bands (ev): -46.9519 -46.9519 -21.2473 -21.2473 -20.4426 -20.4426 -20.3824 -20.3824 1.3066 1.3066 12.5612 12.5612 14.9253 14.9253 14.9545 14.9545 16.1161 16.1161 18.2708 18.2708 18.8836 18.8836 18.9124 18.9124 20.7611 20.7611 k = 0.1948-0.1125 0.1591 ( 665 PWs) bands (ev): -46.9501 -46.9501 -21.2521 -21.2521 -20.4490 -20.4490 -20.3856 -20.3856 1.3522 1.3522 12.4538 12.4538 14.8968 14.8968 14.9263 14.9263 16.0703 16.0703 18.2887 18.2887 18.9473 18.9473 18.9764 18.9764 20.8259 20.8259 k = 0.2013-0.1162 0.1644 ( 665 PWs) bands (ev): -46.9483 -46.9483 -21.2570 -21.2570 -20.4555 -20.4555 -20.3887 -20.3887 1.3978 1.3978 12.3508 12.3508 14.8701 14.8701 14.8999 14.8999 16.0242 16.0242 18.3070 18.3070 19.0090 19.0090 19.0383 19.0383 20.8877 20.8877 k = 0.2078-0.1200 0.1697 ( 665 PWs) bands (ev): -46.9464 -46.9464 -21.2620 -21.2620 -20.4620 -20.4620 -20.3920 -20.3920 1.4432 1.4432 12.2524 12.2524 14.8450 14.8450 14.8751 14.8751 15.9779 15.9779 18.3256 18.3256 19.0684 19.0684 19.0980 19.0980 20.9467 20.9467 k = 0.2143-0.1237 0.1750 ( 665 PWs) bands (ev): -46.9445 -46.9445 -21.2670 -21.2670 -20.4685 -20.4685 -20.3952 -20.3952 1.4884 1.4884 12.1586 12.1586 14.8216 14.8216 14.8521 14.8521 15.9314 15.9314 18.3444 18.3444 19.1254 19.1254 19.1553 19.1553 21.0028 21.0028 k = 0.2208-0.1275 0.1803 ( 665 PWs) bands (ev): -46.9426 -46.9426 -21.2720 -21.2720 -20.4751 -20.4751 -20.3985 -20.3985 1.5332 1.5332 12.0695 12.0695 14.7999 14.7999 14.8307 14.8307 15.8849 15.8849 18.3634 18.3634 19.1801 19.1801 19.2102 19.2102 21.0560 21.0560 k = 0.2273-0.1312 0.1856 ( 657 PWs) bands (ev): -46.9407 -46.9407 -21.2771 -21.2771 -20.4817 -20.4817 -20.4018 -20.4018 1.5774 1.5774 11.9854 11.9854 14.7798 14.7798 14.8110 14.8110 15.8385 15.8385 18.3828 18.3828 19.2322 19.2322 19.2626 19.2626 21.1065 21.1065 k = 0.2338-0.1350 0.1909 ( 657 PWs) bands (ev): -46.9388 -46.9388 -21.2823 -21.2823 -20.4882 -20.4882 -20.4051 -20.4051 1.6209 1.6209 11.9062 11.9062 14.7614 14.7614 14.7930 14.7930 15.7921 15.7921 18.4022 18.4022 19.2818 19.2818 19.3124 19.3124 21.1542 21.1542 k = 0.2403-0.1387 0.1962 ( 653 PWs) bands (ev): -46.9368 -46.9368 -21.2874 -21.2874 -20.4947 -20.4947 -20.4085 -20.4085 1.6636 1.6636 11.8320 11.8320 14.7445 14.7445 14.7765 14.7765 15.7460 15.7460 18.4218 18.4218 19.3287 19.3287 19.3596 19.3596 21.1991 21.1991 k = 0.2468-0.1425 0.2015 ( 649 PWs) bands (ev): -46.9349 -46.9349 -21.2926 -21.2926 -20.5012 -20.5012 -20.4118 -20.4118 1.7053 1.7053 11.7630 11.7630 14.7292 14.7292 14.7616 14.7616 15.7001 15.7001 18.4414 18.4414 19.3729 19.3729 19.4041 19.4041 21.2413 21.2413 k = 0.2532-0.1462 0.2068 ( 649 PWs) bands (ev): -46.9329 -46.9329 -21.2977 -21.2977 -20.5077 -20.5077 -20.4152 -20.4152 1.7460 1.7460 11.6992 11.6992 14.7155 14.7155 14.7482 14.7482 15.6545 15.6545 18.4611 18.4611 19.4144 19.4144 19.4458 19.4458 21.2807 21.2807 k = 0.2597-0.1500 0.2121 ( 653 PWs) bands (ev): -46.9310 -46.9310 -21.3029 -21.3029 -20.5141 -20.5141 -20.4186 -20.4186 1.7855 1.7855 11.6406 11.6406 14.7032 14.7032 14.7364 14.7364 15.6093 15.6093 18.4809 18.4809 19.4531 19.4531 19.4847 19.4847 21.3172 21.3172 k = 0.2662-0.1537 0.2174 ( 653 PWs) bands (ev): -46.9291 -46.9291 -21.3080 -21.3080 -20.5205 -20.5205 -20.4219 -20.4219 1.8237 1.8237 11.5873 11.5873 14.6924 14.6924 14.7260 14.7260 15.5646 15.5646 18.5006 18.5006 19.4891 19.4891 19.5209 19.5209 21.3509 21.3509 k = 0.2727-0.1575 0.2227 ( 653 PWs) bands (ev): -46.9271 -46.9271 -21.3132 -21.3132 -20.5268 -20.5268 -20.4252 -20.4252 1.8605 1.8605 11.5392 11.5392 14.6830 14.6830 14.7170 14.7170 15.5204 15.5204 18.5204 18.5204 19.5222 19.5222 19.5543 19.5543 21.3817 21.3817 k = 0.2792-0.1612 0.2280 ( 653 PWs) bands (ev): -46.9252 -46.9252 -21.3183 -21.3183 -20.5330 -20.5330 -20.4286 -20.4286 1.8959 1.8959 11.4965 11.4965 14.6751 14.6751 14.7094 14.7094 15.4768 15.4768 18.5401 18.5401 19.5526 19.5526 19.5849 19.5849 21.4096 21.4096 k = 0.2857-0.1650 0.2333 ( 653 PWs) bands (ev): -46.9233 -46.9233 -21.3233 -21.3233 -20.5391 -20.5391 -20.4318 -20.4318 1.9297 1.9297 11.4589 11.4589 14.6684 14.6684 14.7032 14.7032 15.4338 15.4338 18.5597 18.5597 19.5803 19.5803 19.6128 19.6128 21.4346 21.4346 k = 0.2922-0.1687 0.2386 ( 653 PWs) bands (ev): -46.9214 -46.9214 -21.3283 -21.3283 -20.5451 -20.5451 -20.4351 -20.4351 1.9619 1.9619 11.4266 11.4266 14.6630 14.6630 14.6982 14.6982 15.3916 15.3916 18.5791 18.5791 19.6052 19.6052 19.6380 19.6380 21.4565 21.4565 k = 0.2987-0.1725 0.2439 ( 657 PWs) bands (ev): -46.9196 -46.9196 -21.3332 -21.3332 -20.5510 -20.5510 -20.4383 -20.4383 1.9924 1.9924 11.3993 11.3993 14.6589 14.6589 14.6944 14.6944 15.3500 15.3500 18.5984 18.5984 19.6275 19.6275 19.6604 19.6604 21.4754 21.4754 k = 0.3052-0.1762 0.2492 ( 656 PWs) bands (ev): -46.9177 -46.9177 -21.3381 -21.3381 -20.5568 -20.5568 -20.4415 -20.4415 2.0213 2.0213 11.3771 11.3771 14.6559 14.6559 14.6919 14.6919 15.3094 15.3094 18.6175 18.6175 19.6472 19.6472 19.6803 19.6803 21.4913 21.4913 k = 0.3117-0.1800 0.2545 ( 656 PWs) bands (ev): -46.9159 -46.9159 -21.3429 -21.3429 -20.5625 -20.5625 -20.4446 -20.4446 2.0483 2.0483 11.3598 11.3598 14.6540 14.6540 14.6904 14.6904 15.2696 15.2696 18.6364 18.6364 19.6644 19.6644 19.6977 19.6977 21.5039 21.5039 k = 0.3182-0.1837 0.2598 ( 656 PWs) bands (ev): -46.9141 -46.9141 -21.3476 -21.3476 -20.5680 -20.5680 -20.4477 -20.4477 2.0737 2.0737 11.3473 11.3473 14.6532 14.6532 14.6901 14.6901 15.2307 15.2307 18.6550 18.6550 19.6791 19.6791 19.7126 19.7126 21.5135 21.5135 k = 0.3247-0.1875 0.2651 ( 656 PWs) bands (ev): -46.9124 -46.9124 -21.3523 -21.3523 -20.5735 -20.5735 -20.4508 -20.4508 2.0972 2.0972 11.3394 11.3394 14.6534 14.6534 14.6907 14.6907 15.1928 15.1928 18.6734 18.6734 19.6915 19.6915 19.7251 19.7251 21.5198 21.5198 k = 0.3312-0.1912 0.2704 ( 664 PWs) bands (ev): -46.9107 -46.9107 -21.3568 -21.3568 -20.5787 -20.5787 -20.4537 -20.4537 2.1191 2.1191 11.3358 11.3358 14.6546 14.6546 14.6922 14.6922 15.1559 15.1559 18.6913 18.6913 19.7016 19.7016 19.7354 19.7354 21.5230 21.5230 k = 0.3377-0.1949 0.2757 ( 664 PWs) bands (ev): -46.9090 -46.9090 -21.3612 -21.3612 -20.5838 -20.5838 -20.4566 -20.4566 2.1392 2.1392 11.3364 11.3364 14.6565 14.6565 14.6946 14.6946 15.1200 15.1200 18.7090 18.7090 19.7096 19.7096 19.7436 19.7436 21.5231 21.5231 k = 0.3442-0.1987 0.2810 ( 672 PWs) bands (ev): -46.9074 -46.9074 -21.3655 -21.3655 -20.5888 -20.5888 -20.4594 -20.4594 2.1576 2.1576 11.3411 11.3411 14.6593 14.6593 14.6977 14.6977 15.0853 15.0853 18.7262 18.7262 19.7156 19.7156 19.7497 19.7497 21.5201 21.5201 k = 0.3506-0.2024 0.2863 ( 664 PWs) bands (ev): -46.9058 -46.9058 -21.3697 -21.3697 -20.5936 -20.5936 -20.4622 -20.4622 2.1744 2.1744 11.3495 11.3495 14.6628 14.6628 14.7016 14.7016 15.0517 15.0517 18.7431 18.7431 19.7199 19.7199 19.7540 19.7540 21.5141 21.5141 k = 0.3571-0.2062 0.2916 ( 664 PWs) bands (ev): -46.9043 -46.9043 -21.3738 -21.3738 -20.5983 -20.5983 -20.4649 -20.4649 2.1896 2.1896 11.3613 11.3613 14.6669 14.6669 14.7062 14.7062 15.0192 15.0192 18.7594 18.7594 19.7223 19.7223 19.7566 19.7566 21.5052 21.5052 k = 0.3636-0.2099 0.2969 ( 664 PWs) bands (ev): -46.9028 -46.9028 -21.3777 -21.3777 -20.6027 -20.6027 -20.4674 -20.4674 2.2033 2.2033 11.3763 11.3763 14.6716 14.6716 14.7113 14.7113 14.9880 14.9880 18.7753 18.7753 19.7232 19.7232 19.7575 19.7575 21.4935 21.4935 k = 0.3701-0.2137 0.3022 ( 664 PWs) bands (ev): -46.9013 -46.9013 -21.3815 -21.3815 -20.6070 -20.6070 -20.4699 -20.4699 2.2155 2.2155 11.3941 11.3941 14.6768 14.6768 14.7168 14.7168 14.9580 14.9580 18.7907 18.7907 19.7226 19.7226 19.7570 19.7570 21.4793 21.4793 k = 0.3766-0.2174 0.3075 ( 664 PWs) bands (ev): -46.8999 -46.8999 -21.3852 -21.3852 -20.6112 -20.6112 -20.4723 -20.4723 2.2264 2.2264 11.4144 11.4144 14.6825 14.6825 14.7228 14.7228 14.9293 14.9293 18.8055 18.8055 19.7208 19.7208 19.7553 19.7553 21.4626 21.4626 k = 0.3831-0.2212 0.3128 ( 664 PWs) bands (ev): -46.8986 -46.8986 -21.3886 -21.3886 -20.6151 -20.6151 -20.4746 -20.4746 2.2360 2.2360 11.4368 11.4368 14.6884 14.6884 14.7292 14.7292 14.9018 14.9018 18.8197 18.8197 19.7178 19.7178 19.7524 19.7524 21.4437 21.4437 k = 0.3896-0.2249 0.3181 ( 664 PWs) bands (ev): -46.8973 -46.8973 -21.3920 -21.3920 -20.6188 -20.6188 -20.4768 -20.4768 2.2443 2.2443 11.4610 11.4610 14.6947 14.6947 14.7357 14.7357 14.8757 14.8757 18.8334 18.8334 19.7139 19.7139 19.7485 19.7485 21.4229 21.4229 k = 0.3961-0.2287 0.3234 ( 664 PWs) bands (ev): -46.8961 -46.8961 -21.3952 -21.3952 -20.6224 -20.6224 -20.4789 -20.4789 2.2516 2.2516 11.4867 11.4867 14.7011 14.7011 14.7425 14.7425 14.8510 14.8510 18.8464 18.8464 19.7092 19.7092 19.7438 19.7438 21.4004 21.4004 k = 0.4026-0.2324 0.3287 ( 664 PWs) bands (ev): -46.8950 -46.8950 -21.3982 -21.3982 -20.6257 -20.6257 -20.4809 -20.4809 2.2578 2.2578 11.5133 11.5133 14.7076 14.7076 14.7493 14.7493 14.8276 14.8276 18.8587 18.8587 19.7038 19.7038 19.7385 19.7385 21.3767 21.3767 k = 0.4091-0.2362 0.3340 ( 664 PWs) bands (ev): -46.8939 -46.8939 -21.4010 -21.4010 -20.6289 -20.6289 -20.4828 -20.4828 2.2632 2.2632 11.5407 11.5407 14.7141 14.7141 14.7561 14.7561 14.8057 14.8057 18.8704 18.8704 19.6979 19.6979 19.7326 19.7326 21.3520 21.3520 k = 0.4156-0.2399 0.3393 ( 664 PWs) bands (ev): -46.8929 -46.8929 -21.4037 -21.4037 -20.6318 -20.6318 -20.4846 -20.4846 2.2677 2.2677 11.5683 11.5683 14.7206 14.7206 14.7627 14.7627 14.7853 14.7853 18.8814 18.8814 19.6917 19.6917 19.7264 19.7264 21.3266 21.3266 k = 0.4221-0.2437 0.3446 ( 668 PWs) bands (ev): -46.8920 -46.8920 -21.4061 -21.4061 -20.6346 -20.6346 -20.4862 -20.4862 2.2714 2.2714 11.5957 11.5957 14.7269 14.7269 14.7648 14.7648 14.7708 14.7708 18.8916 18.8916 19.6852 19.6852 19.7200 19.7200 21.3011 21.3011 k = 0.4286-0.2474 0.3499 ( 668 PWs) bands (ev): -46.8911 -46.8911 -21.4084 -21.4084 -20.6371 -20.6371 -20.4877 -20.4877 2.2745 2.2745 11.6227 11.6227 14.7331 14.7331 14.7481 14.7481 14.7762 14.7762 18.9011 18.9011 19.6788 19.6788 19.7135 19.7135 21.2756 21.2756 k = 0.4351-0.2512 0.3552 ( 668 PWs) bands (ev): -46.8903 -46.8903 -21.4105 -21.4105 -20.6394 -20.6394 -20.4891 -20.4891 2.2771 2.2771 11.6488 11.6488 14.7321 14.7321 14.7389 14.7389 14.7822 14.7822 18.9098 18.9098 19.6723 19.6723 19.7071 19.7071 21.2508 21.2508 k = 0.4416-0.2549 0.3605 ( 668 PWs) bands (ev): -46.8895 -46.8895 -21.4125 -21.4125 -20.6415 -20.6415 -20.4904 -20.4904 2.2791 2.2791 11.6736 11.6736 14.7174 14.7174 14.7445 14.7445 14.7879 14.7879 18.9178 18.9178 19.6661 19.6661 19.7009 19.7009 21.2269 21.2269 k = 0.4481-0.2587 0.3658 ( 668 PWs) bands (ev): -46.8889 -46.8889 -21.4142 -21.4142 -20.6434 -20.6434 -20.4915 -20.4915 2.2807 2.2807 11.6969 11.6969 14.7043 14.7043 14.7496 14.7496 14.7932 14.7932 18.9250 18.9250 19.6602 19.6602 19.6950 19.6950 21.2043 21.2043 k = 0.4545-0.2624 0.3711 ( 668 PWs) bands (ev): -46.8883 -46.8883 -21.4157 -21.4157 -20.6451 -20.6451 -20.4925 -20.4925 2.2820 2.2820 11.7182 11.7182 14.6927 14.6927 14.7543 14.7543 14.7981 14.7981 18.9313 18.9313 19.6548 19.6548 19.6896 19.6896 21.1834 21.1834 k = 0.4610-0.2662 0.3764 ( 668 PWs) bands (ev): -46.8878 -46.8878 -21.4170 -21.4170 -20.6465 -20.6465 -20.4934 -20.4934 2.2829 2.2829 11.7374 11.7374 14.6826 14.6826 14.7584 14.7584 14.8024 14.8024 18.9369 18.9369 19.6498 19.6498 19.6846 19.6846 21.1645 21.1645 k = 0.4675-0.2699 0.3817 ( 668 PWs) bands (ev): -46.8873 -46.8873 -21.4182 -21.4182 -20.6477 -20.6477 -20.4942 -20.4942 2.2836 2.2836 11.7541 11.7541 14.6740 14.6740 14.7620 14.7620 14.8061 14.8061 18.9416 18.9416 19.6455 19.6455 19.6803 19.6803 21.1480 21.1480 k = 0.4740-0.2737 0.3870 ( 668 PWs) bands (ev): -46.8870 -46.8870 -21.4191 -21.4191 -20.6487 -20.6487 -20.4948 -20.4948 2.2842 2.2842 11.7681 11.7681 14.6670 14.6670 14.7650 14.7650 14.8092 14.8092 18.9455 18.9455 19.6419 19.6419 19.6767 19.6767 21.1340 21.1340 k = 0.4805-0.2774 0.3923 ( 668 PWs) bands (ev): -46.8867 -46.8867 -21.4198 -21.4198 -20.6495 -20.6495 -20.4953 -20.4953 2.2846 2.2846 11.7791 11.7791 14.6615 14.6615 14.7674 14.7674 14.8117 14.8117 18.9485 18.9485 19.6390 19.6390 19.6738 19.6738 21.1230 21.1230 k = 0.4870-0.2812 0.3976 ( 668 PWs) bands (ev): -46.8865 -46.8865 -21.4203 -21.4203 -20.6501 -20.6501 -20.4956 -20.4956 2.2848 2.2848 11.7872 11.7872 14.6576 14.6576 14.7691 14.7691 14.8134 14.8134 18.9506 18.9506 19.6369 19.6369 19.6717 19.6717 21.1149 21.1149 k = 0.4935-0.2849 0.4029 ( 668 PWs) bands (ev): -46.8864 -46.8864 -21.4206 -21.4206 -20.6504 -20.6504 -20.4958 -20.4958 2.2849 2.2849 11.7920 11.7920 14.6553 14.6553 14.7701 14.7701 14.8145 14.8145 18.9519 18.9519 19.6356 19.6356 19.6704 19.6704 21.1101 21.1101 k = 0.5000-0.2887 0.4082 ( 652 PWs) bands (ev): -46.8863 -46.8863 -21.4207 -21.4207 -20.6505 -20.6505 -20.4959 -20.4959 2.2850 2.2850 11.7937 11.7937 14.6546 14.6546 14.7705 14.7705 14.8149 14.8149 18.9524 18.9524 19.6353 19.6353 19.6701 19.6701 21.1085 21.1085 k = 0.5000-0.2887 0.4082 ( 652 PWs) bands (ev): -46.8863 -46.8863 -21.4207 -21.4207 -20.6505 -20.6505 -20.4959 -20.4959 2.2850 2.2850 11.7937 11.7937 14.6546 14.6546 14.7705 14.7705 14.8149 14.8149 18.9524 18.9524 19.6353 19.6353 19.6701 19.6701 21.1085 21.1085 k = 0.5000-0.2813 0.4135 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4207 -21.4207 -20.6505 -20.6505 -20.4959 -20.4959 2.2856 2.2856 11.7938 11.7938 14.6059 14.6059 14.7813 14.7813 14.8484 14.8484 18.9570 18.9570 19.6350 19.6350 19.6698 19.6698 21.1086 21.1086 k = 0.5000-0.2739 0.4187 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4207 -21.4207 -20.6504 -20.6504 -20.4961 -20.4961 2.2877 2.2877 11.7943 11.7943 14.5229 14.5229 14.7697 14.7697 14.9309 14.9309 18.9708 18.9708 19.6346 19.6346 19.6694 19.6694 21.1092 21.1092 k = 0.5000-0.2665 0.4240 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4206 -21.4206 -20.6503 -20.6503 -20.4964 -20.4964 2.2910 2.2910 11.7952 11.7952 14.4350 14.4350 14.7443 14.7443 15.0243 15.0243 18.9934 18.9934 19.6338 19.6338 19.6687 19.6687 21.1102 21.1102 k = 0.5000-0.2591 0.4292 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4204 -21.4204 -20.6501 -20.6501 -20.4969 -20.4969 2.2957 2.2957 11.7963 11.7963 14.3466 14.3466 14.7084 14.7084 15.1213 15.1213 19.0243 19.0243 19.6327 19.6327 19.6678 19.6678 21.1117 21.1117 k = 0.5000-0.2517 0.4344 ( 670 PWs) bands (ev): -46.8864 -46.8864 -21.4203 -21.4203 -20.6499 -20.6499 -20.4974 -20.4974 2.3017 2.3017 11.7978 11.7978 14.2590 14.2590 14.6632 14.6632 15.2203 15.2203 19.0629 19.0629 19.6311 19.6311 19.6668 19.6668 21.1135 21.1135 k = 0.5000-0.2443 0.4397 ( 670 PWs) bands (ev): -46.8864 -46.8864 -21.4201 -21.4201 -20.6497 -20.6497 -20.4981 -20.4981 2.3089 2.3089 11.7997 11.7997 14.1724 14.1724 14.6095 14.6095 15.3208 15.3208 19.1084 19.1084 19.6289 19.6289 19.6656 19.6656 21.1158 21.1158 k = 0.5000-0.2369 0.4449 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4199 -21.4199 -20.6493 -20.6493 -20.4989 -20.4989 2.3174 2.3174 11.8019 11.8019 14.0872 14.0872 14.5482 14.5482 15.4226 15.4226 19.1598 19.1598 19.6261 19.6261 19.6643 19.6643 21.1185 21.1185 k = 0.5000-0.2295 0.4501 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4196 -21.4196 -20.6490 -20.6490 -20.4998 -20.4998 2.3270 2.3270 11.8046 11.8046 14.0033 14.0033 14.4803 14.4803 15.5253 15.5253 19.2164 19.2164 19.6224 19.6224 19.6631 19.6631 21.1215 21.1215 k = 0.5000-0.2221 0.4554 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4193 -21.4193 -20.6485 -20.6485 -20.5008 -20.5008 2.3378 2.3378 11.8076 11.8076 13.9210 13.9210 14.4065 14.4065 15.6289 15.6289 19.2772 19.2772 19.6178 19.6178 19.6620 19.6620 21.1250 21.1250 k = 0.5000-0.2147 0.4606 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4190 -21.4190 -20.6481 -20.6481 -20.5019 -20.5019 2.3497 2.3497 11.8111 11.8111 13.8402 13.8402 14.3279 14.3279 15.7333 15.7333 19.3413 19.3413 19.6122 19.6122 19.6612 19.6612 21.1288 21.1288 k = 0.5000-0.2073 0.4658 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4186 -21.4186 -20.6476 -20.6476 -20.5031 -20.5031 2.3626 2.3626 11.8150 11.8150 13.7611 13.7611 14.2452 14.2452 15.8383 15.8383 19.4078 19.4078 19.6054 19.6054 19.6606 19.6606 21.1331 21.1331 k = 0.5000-0.1999 0.4711 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4183 -21.4183 -20.6470 -20.6470 -20.5044 -20.5044 2.3764 2.3764 11.8194 11.8194 13.6835 13.6835 14.1593 14.1593 15.9439 15.9439 19.4756 19.4756 19.5974 19.5974 19.6604 19.6604 21.1377 21.1377 k = 0.5000-0.1925 0.4763 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4179 -21.4179 -20.6464 -20.6464 -20.5058 -20.5058 2.3911 2.3911 11.8243 11.8243 13.6077 13.6077 14.0710 14.0710 16.0499 16.0499 19.5432 19.5432 19.5886 19.5886 19.6613 19.6613 21.1427 21.1427 k = 0.5000-0.1850 0.4815 ( 666 PWs) bands (ev): -46.8863 -46.8863 -21.4175 -21.4175 -20.6457 -20.6457 -20.5073 -20.5073 2.4066 2.4066 11.8297 11.8297 13.5336 13.5336 13.9809 13.9809 16.1562 16.1562 19.5753 19.5753 19.6100 19.6100 19.6664 19.6664 21.1481 21.1481 k = 0.5000-0.1776 0.4868 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4170 -21.4170 -20.6450 -20.6450 -20.5089 -20.5089 2.4228 2.4228 11.8357 11.8357 13.4611 13.4611 13.8897 13.8897 16.2628 16.2628 19.5638 19.5638 19.6456 19.6456 19.6992 19.6992 21.1538 21.1538 k = 0.5000-0.1702 0.4920 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4166 -21.4166 -20.6443 -20.6443 -20.5105 -20.5105 2.4396 2.4396 11.8422 11.8422 13.3904 13.3904 13.7980 13.7980 16.3696 16.3696 19.5499 19.5499 19.6516 19.6516 19.7618 19.7618 21.1599 21.1599 k = 0.5000-0.1628 0.4972 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4161 -21.4161 -20.6435 -20.6435 -20.5122 -20.5122 2.4569 2.4569 11.8494 11.8494 13.3215 13.3215 13.7065 13.7065 16.4763 16.4763 19.5342 19.5342 19.6530 19.6530 19.8278 19.8278 21.1664 21.1664 k = 0.5000-0.1554 0.5025 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4157 -21.4157 -20.6426 -20.6426 -20.5140 -20.5140 2.4746 2.4746 11.8573 11.8573 13.2543 13.2543 13.6156 13.6156 16.5830 16.5830 19.5167 19.5167 19.6535 19.6535 19.8930 19.8930 21.1731 21.1731 k = 0.5000-0.1480 0.5077 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4152 -21.4152 -20.6417 -20.6417 -20.5158 -20.5158 2.4926 2.4926 11.8658 11.8658 13.1888 13.1888 13.5258 13.5258 16.6894 16.6894 19.4972 19.4972 19.6538 19.6538 19.9565 19.9565 21.1802 21.1802 k = 0.5000-0.1406 0.5129 ( 670 PWs) bands (ev): -46.8863 -46.8863 -21.4148 -21.4148 -20.6408 -20.6408 -20.5177 -20.5177 2.5108 2.5108 11.8751 11.8751 13.1252 13.1252 13.4376 13.4376 16.7955 16.7955 19.4758 19.4758 19.6539 19.6539 20.0178 20.0178 21.1875 21.1875 k = 0.5000-0.1332 0.5182 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4143 -21.4143 -20.6399 -20.6399 -20.5195 -20.5195 2.5290 2.5290 11.8852 11.8852 13.0633 13.0633 13.3515 13.3515 16.9011 16.9011 19.4521 19.4521 19.6540 19.6540 20.0764 20.0764 21.1951 21.1951 k = 0.5000-0.1258 0.5234 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4138 -21.4138 -20.6389 -20.6389 -20.5214 -20.5214 2.5472 2.5472 11.8960 11.8960 13.0031 13.0031 13.2677 13.2677 17.0062 17.0062 19.4263 19.4263 19.6541 19.6541 20.1322 20.1322 21.2029 21.2029 k = 0.5000-0.1184 0.5286 ( 678 PWs) bands (ev): -46.8863 -46.8863 -21.4134 -21.4134 -20.6379 -20.6379 -20.5233 -20.5233 2.5653 2.5653 11.9077 11.9077 12.9447 12.9447 13.1868 13.1868 17.1105 17.1105 19.3981 19.3981 19.6542 19.6542 20.1849 20.1849 21.2108 21.2108 k = 0.5000-0.1110 0.5339 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4130 -21.4130 -20.6369 -20.6369 -20.5252 -20.5252 2.5830 2.5830 11.9203 11.9203 12.8881 12.8881 13.1090 13.1090 17.2140 17.2140 19.3676 19.3676 19.6543 19.6543 20.2344 20.2344 21.2190 21.2190 k = 0.5000-0.1036 0.5391 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4125 -21.4125 -20.6359 -20.6359 -20.5271 -20.5271 2.6004 2.6004 11.9338 11.9338 12.8333 12.8333 13.0347 13.0347 17.3165 17.3165 19.3345 19.3345 19.6543 19.6543 20.2806 20.2806 21.2271 21.2271 k = 0.5000-0.0962 0.5443 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4121 -21.4121 -20.6349 -20.6349 -20.5290 -20.5290 2.6172 2.6172 11.9483 11.9483 12.7802 12.7802 12.9642 12.9642 17.4180 17.4180 19.2989 19.2989 19.6544 19.6544 20.3234 20.3234 21.2353 21.2353 k = 0.5000-0.0888 0.5496 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4117 -21.4117 -20.6338 -20.6338 -20.5308 -20.5308 2.6333 2.6333 11.9637 11.9637 12.7289 12.7289 12.8977 12.8977 17.5181 17.5181 19.2605 19.2605 19.6545 19.6545 20.3627 20.3627 21.2434 21.2434 k = 0.5000-0.0814 0.5548 ( 674 PWs) bands (ev): -46.8863 -46.8863 -21.4114 -21.4114 -20.6328 -20.6328 -20.5325 -20.5325 2.6486 2.6486 11.9802 11.9802 12.6793 12.6793 12.8355 12.8355 17.6169 17.6169 19.2194 19.2194 19.6545 19.6545 20.3986 20.3986 21.2513 21.2513 k = 0.5000-0.0740 0.5600 ( 674 PWs) bands (ev): -46.8862 -46.8862 -21.4110 -21.4110 -20.6319 -20.6319 -20.5342 -20.5342 2.6631 2.6631 11.9978 11.9978 12.6314 12.6314 12.7779 12.7779 17.7142 17.7142 19.1756 19.1756 19.6546 19.6546 20.4311 20.4311 21.2589 21.2589 k = 0.5000-0.0666 0.5653 ( 670 PWs) bands (ev): -46.8862 -46.8862 -21.4107 -21.4107 -20.6309 -20.6309 -20.5358 -20.5358 2.6766 2.6766 12.0164 12.0164 12.5853 12.5853 12.7251 12.7251 17.8099 17.8099 19.1289 19.1289 19.6547 19.6547 20.4602 20.4602 21.2663 21.2663 k = 0.5000-0.0592 0.5705 ( 674 PWs) bands (ev): -46.8862 -46.8862 -21.4104 -21.4104 -20.6300 -20.6300 -20.5373 -20.5373 2.6889 2.6889 12.0362 12.0362 12.5408 12.5408 12.6772 12.6772 17.9038 17.9038 19.0792 19.0792 19.6547 19.6547 20.4860 20.4860 21.2731 21.2731 k = 0.5000-0.0518 0.5757 ( 674 PWs) bands (ev): -46.8862 -46.8862 -21.4101 -21.4101 -20.6292 -20.6292 -20.5386 -20.5386 2.7001 2.7001 12.0572 12.0572 12.4981 12.4981 12.6346 12.6346 17.9958 17.9958 19.0267 19.0267 19.6547 19.6547 20.5086 20.5086 21.2795 21.2795 k = 0.5000-0.0444 0.5810 ( 678 PWs) bands (ev): -46.8862 -46.8862 -21.4099 -21.4099 -20.6284 -20.6284 -20.5399 -20.5399 2.7099 2.7099 12.0794 12.0794 12.4569 12.4569 12.5973 12.5973 18.0857 18.0857 18.9712 18.9712 19.6548 19.6548 20.5279 20.5279 21.2852 21.2852 k = 0.5000-0.0370 0.5862 ( 678 PWs) bands (ev): -46.8862 -46.8862 -21.4097 -21.4097 -20.6278 -20.6278 -20.5409 -20.5409 2.7184 2.7184 12.1028 12.1028 12.4175 12.4175 12.5654 12.5654 18.1735 18.1735 18.9127 18.9127 19.6548 19.6548 20.5441 20.5441 21.2902 21.2902 k = 0.5000-0.0296 0.5914 ( 678 PWs) bands (ev): -46.8862 -46.8862 -21.4095 -21.4095 -20.6272 -20.6272 -20.5418 -20.5418 2.7255 2.7255 12.1274 12.1274 12.3798 12.3798 12.5392 12.5392 18.2590 18.2590 18.8514 18.8514 19.6548 19.6548 20.5572 20.5572 21.2944 21.2944 k = 0.5000-0.0222 0.5967 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4094 -21.4094 -20.6268 -20.6268 -20.5425 -20.5425 2.7310 2.7310 12.1531 12.1531 12.3438 12.3438 12.5187 12.5187 18.3422 18.3422 18.7871 18.7871 19.6549 19.6549 20.5674 20.5674 21.2977 21.2977 k = 0.5000-0.0148 0.6019 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4093 -21.4093 -20.6264 -20.6264 -20.5431 -20.5431 2.7350 2.7350 12.1798 12.1798 12.3098 12.3098 12.5040 12.5040 18.4228 18.4228 18.7201 18.7201 19.6549 19.6549 20.5746 20.5746 21.3001 21.3001 k = 0.5000-0.0074 0.6071 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4093 -21.4093 -20.6262 -20.6262 -20.5434 -20.5434 2.7374 2.7374 12.2063 12.2063 12.2789 12.2789 12.4952 12.4952 18.5006 18.5006 18.6504 18.6504 19.6549 19.6549 20.5789 20.5789 21.3016 21.3016 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5435 -20.5435 2.7382 2.7382 12.2233 12.2233 12.2605 12.2605 12.4922 12.4922 18.5665 18.5665 18.5872 18.5872 19.6549 19.6549 20.5804 20.5804 21.3021 21.3021 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5435 -20.5435 2.7382 2.7382 12.2233 12.2233 12.2605 12.2605 12.4922 12.4922 18.5665 18.5665 18.5872 18.5872 19.6549 19.6549 20.5804 20.5804 21.3021 21.3021 k = 0.4954 0.0080 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5433 -20.5433 2.7380 2.7380 12.2125 12.2125 12.2658 12.2658 12.4988 12.4988 18.5214 18.5214 18.6306 18.6306 19.6551 19.6551 20.5809 20.5809 21.3029 21.3029 k = 0.4907 0.0160 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6265 -20.6265 -20.5429 -20.5429 2.7373 2.7373 12.1942 12.1942 12.2674 12.2674 12.5188 12.5188 18.4657 18.4657 18.6812 18.6812 19.6557 19.6557 20.5827 20.5827 21.3050 21.3050 k = 0.4861 0.0241 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6269 -20.6269 -20.5421 -20.5421 2.7363 2.7363 12.1752 12.1752 12.2604 12.2604 12.5501 12.5501 18.4080 18.4080 18.7303 18.7303 19.6566 19.6566 20.5863 20.5863 21.3080 21.3080 k = 0.4815 0.0321 0.6124 ( 680 PWs) bands (ev): -46.8864 -46.8864 -21.4092 -21.4092 -20.6274 -20.6274 -20.5411 -20.5411 2.7349 2.7349 12.1565 12.1565 12.2474 12.2474 12.5891 12.5891 18.3487 18.3487 18.7777 18.7777 19.6580 19.6580 20.5919 20.5919 21.3118 21.3118 k = 0.4769 0.0401 0.6124 ( 677 PWs) bands (ev): -46.8864 -46.8864 -21.4092 -21.4092 -20.6281 -20.6281 -20.5398 -20.5398 2.7332 2.7332 12.1386 12.1386 12.2307 12.2307 12.6329 12.6329 18.2879 18.2879 18.8232 18.8232 19.6598 19.6598 20.5997 20.5997 21.3158 21.3158 k = 0.4722 0.0481 0.6124 ( 674 PWs) bands (ev): -46.8865 -46.8865 -21.4093 -21.4093 -20.6289 -20.6289 -20.5383 -20.5383 2.7312 2.7312 12.1215 12.1215 12.2121 12.2121 12.6796 12.6796 18.2260 18.2260 18.8667 18.8667 19.6620 19.6620 20.6100 20.6100 21.3200 21.3200 k = 0.4676 0.0561 0.6124 ( 674 PWs) bands (ev): -46.8866 -46.8866 -21.4093 -21.4093 -20.6298 -20.6298 -20.5367 -20.5367 2.7291 2.7291 12.1051 12.1051 12.1925 12.1925 12.7280 12.7280 18.1632 18.1632 18.9082 18.9082 19.6646 19.6646 20.6227 20.6227 21.3240 21.3240 k = 0.4630 0.0642 0.6124 ( 674 PWs) bands (ev): -46.8867 -46.8867 -21.4093 -21.4093 -20.6308 -20.6308 -20.5348 -20.5348 2.7267 2.7267 12.0896 12.0896 12.1726 12.1726 12.7775 12.7775 18.0997 18.0997 18.9476 18.9476 19.6676 19.6676 20.6379 20.6379 21.3277 21.3277 k = 0.4583 0.0722 0.6124 ( 676 PWs) bands (ev): -46.8868 -46.8868 -21.4093 -21.4093 -20.6318 -20.6318 -20.5329 -20.5329 2.7241 2.7241 12.0749 12.0749 12.1528 12.1528 12.8275 12.8275 18.0358 18.0358 18.9848 18.9848 19.6709 19.6709 20.6554 20.6554 21.3308 21.3308 k = 0.4537 0.0802 0.6124 ( 676 PWs) bands (ev): -46.8869 -46.8869 -21.4094 -21.4094 -20.6329 -20.6329 -20.5308 -20.5308 2.7215 2.7215 12.0610 12.0610 12.1333 12.1333 12.8776 12.8776 17.9719 17.9719 19.0199 19.0199 19.6746 19.6746 20.6751 20.6751 21.3334 21.3334 k = 0.4491 0.0882 0.6124 ( 678 PWs) bands (ev): -46.8871 -46.8871 -21.4094 -21.4094 -20.6340 -20.6340 -20.5287 -20.5287 2.7188 2.7188 12.0480 12.0480 12.1144 12.1144 12.9274 12.9274 17.9084 17.9084 19.0528 19.0528 19.6787 19.6787 20.6969 20.6969 21.3351 21.3351 k = 0.4444 0.0962 0.6124 ( 674 PWs) bands (ev): -46.8872 -46.8872 -21.4095 -21.4095 -20.6351 -20.6351 -20.5266 -20.5266 2.7160 2.7160 12.0356 12.0356 12.0962 12.0962 12.9766 12.9766 17.8457 17.8457 19.0834 19.0834 19.6830 19.6830 20.7205 20.7205 21.3360 21.3360 k = 0.4398 0.1042 0.6124 ( 672 PWs) bands (ev): -46.8873 -46.8873 -21.4095 -21.4095 -20.6363 -20.6363 -20.5245 -20.5245 2.7133 2.7133 12.0241 12.0241 12.0788 12.0788 13.0249 13.0249 17.7841 17.7841 19.1118 19.1118 19.6877 19.6877 20.7458 20.7458 21.3359 21.3359 k = 0.4352 0.1123 0.6124 ( 672 PWs) bands (ev): -46.8874 -46.8874 -21.4096 -21.4096 -20.6374 -20.6374 -20.5224 -20.5224 2.7106 2.7106 12.0132 12.0132 12.0623 12.0623 13.0720 13.0720 17.7240 17.7240 19.1379 19.1379 19.6925 19.6925 20.7723 20.7723 21.3347 21.3347 k = 0.4306 0.1203 0.6124 ( 672 PWs) bands (ev): -46.8875 -46.8875 -21.4097 -21.4097 -20.6384 -20.6384 -20.5204 -20.5204 2.7079 2.7079 12.0031 12.0031 12.0469 12.0469 13.1176 13.1176 17.6658 17.6658 19.1618 19.1618 19.6974 19.6974 20.7999 20.7999 21.3323 21.3323 k = 0.4259 0.1283 0.6124 ( 670 PWs) bands (ev): -46.8876 -46.8876 -21.4097 -21.4097 -20.6394 -20.6394 -20.5184 -20.5184 2.7053 2.7053 11.9936 11.9936 12.0327 12.0327 13.1613 13.1613 17.6101 17.6101 19.1835 19.1835 19.7025 19.7025 20.8282 20.8282 21.3287 21.3287 k = 0.4213 0.1363 0.6124 ( 670 PWs) bands (ev): -46.8877 -46.8877 -21.4098 -21.4098 -20.6404 -20.6404 -20.5165 -20.5165 2.7029 2.7029 11.9848 11.9848 12.0197 12.0197 13.2027 13.2027 17.5573 17.5573 19.2030 19.2030 19.7075 19.7075 20.8570 20.8570 21.3240 21.3240 k = 0.4167 0.1443 0.6124 ( 674 PWs) bands (ev): -46.8878 -46.8878 -21.4098 -21.4098 -20.6413 -20.6413 -20.5148 -20.5148 2.7006 2.7006 11.9765 11.9765 12.0080 12.0080 13.2416 13.2416 17.5077 17.5077 19.2204 19.2204 19.7124 19.7124 20.8859 20.8859 21.3179 21.3179 k = 0.4120 0.1524 0.6124 ( 674 PWs) bands (ev): -46.8879 -46.8879 -21.4099 -21.4099 -20.6421 -20.6421 -20.5132 -20.5132 2.6985 2.6985 11.9687 11.9687 11.9978 11.9978 13.2777 13.2777 17.4619 17.4619 19.2358 19.2358 19.7171 19.7171 20.9145 20.9145 21.3107 21.3107 k = 0.4074 0.1604 0.6124 ( 674 PWs) bands (ev): -46.8880 -46.8880 -21.4100 -21.4100 -20.6428 -20.6428 -20.5117 -20.5117 2.6965 2.6965 11.9616 11.9616 11.9890 11.9890 13.3105 13.3105 17.4202 17.4202 19.2491 19.2491 19.7215 19.7215 20.9425 20.9425 21.3023 21.3023 k = 0.4028 0.1684 0.6124 ( 674 PWs) bands (ev): -46.8881 -46.8881 -21.4100 -21.4100 -20.6435 -20.6435 -20.5104 -20.5104 2.6948 2.6948 11.9551 11.9551 11.9817 11.9817 13.3398 13.3398 17.3832 17.3832 19.2605 19.2605 19.7256 19.7256 20.9695 20.9695 21.2930 21.2930 k = 0.3981 0.1764 0.6124 ( 673 PWs) bands (ev): -46.8881 -46.8881 -21.4101 -21.4101 -20.6440 -20.6440 -20.5093 -20.5093 2.6933 2.6933 11.9493 11.9493 11.9756 11.9756 13.3651 13.3651 17.3511 17.3511 19.2700 19.2700 19.7292 19.7292 20.9950 20.9950 21.2830 21.2830 k = 0.3935 0.1844 0.6124 ( 673 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6445 -20.6445 -20.5084 -20.5084 2.6921 2.6921 11.9444 11.9444 11.9709 11.9709 13.3864 13.3864 17.3243 17.3243 19.2777 19.2777 19.7323 19.7323 21.0182 21.0182 21.2726 21.2726 k = 0.3889 0.1925 0.6124 ( 674 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6448 -20.6448 -20.5077 -20.5077 2.6911 2.6911 11.9405 11.9405 11.9673 11.9673 13.4031 13.4031 17.3031 17.3031 19.2837 19.2837 19.7348 19.7348 21.0385 21.0385 21.2625 21.2625 k = 0.3843 0.2005 0.6124 ( 674 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6451 -20.6451 -20.5072 -20.5072 2.6904 2.6904 11.9376 11.9376 11.9647 11.9647 13.4153 13.4153 17.2878 17.2878 19.2879 19.2879 19.7366 19.7366 21.0546 21.0546 21.2538 21.2538 k = 0.3796 0.2085 0.6124 ( 672 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5068 -20.5068 2.6900 2.6900 11.9358 11.9358 11.9632 11.9632 13.4226 13.4226 17.2785 17.2785 19.2904 19.2904 19.7377 19.7377 21.0653 21.0653 21.2477 21.2477 k = 0.3750 0.2165 0.6124 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.3750 0.2165 0.6124 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.3704 0.2138 0.6048 ( 670 PWs) bands (ev): -46.8886 -46.8886 -21.4095 -21.4095 -20.6454 -20.6454 -20.5056 -20.5056 2.7114 2.7114 11.8500 11.8500 11.9692 11.9692 13.3678 13.3678 17.3735 17.3735 19.2648 19.2648 19.7397 19.7397 21.0572 21.0572 21.3637 21.3637 k = 0.3657 0.2112 0.5973 ( 674 PWs) bands (ev): -46.8889 -46.8889 -21.4088 -21.4088 -20.6455 -20.6455 -20.5042 -20.5042 2.7323 2.7323 11.7597 11.7597 11.9840 11.9840 13.3121 13.3121 17.4714 17.4714 19.2375 19.2375 19.7408 19.7408 21.0444 21.0444 21.4810 21.4810 k = 0.3611 0.2085 0.5897 ( 674 PWs) bands (ev): -46.8892 -46.8892 -21.4081 -21.4081 -20.6455 -20.6455 -20.5026 -20.5026 2.7525 2.7525 11.6716 11.6716 12.0002 12.0002 13.2582 13.2582 17.5691 17.5691 19.2093 19.2093 19.7412 19.7412 21.0305 21.0305 21.5971 21.5971 k = 0.3565 0.2058 0.5821 ( 674 PWs) bands (ev): -46.8896 -46.8896 -21.4074 -21.4074 -20.6455 -20.6455 -20.5009 -20.5009 2.7718 2.7718 11.5863 11.5863 12.0174 12.0174 13.2061 13.2061 17.6663 17.6663 19.1804 19.1804 19.7409 19.7409 21.0156 21.0156 21.7119 21.7119 k = 0.3519 0.2031 0.5746 ( 674 PWs) bands (ev): -46.8901 -46.8901 -21.4066 -21.4066 -20.6454 -20.6454 -20.4989 -20.4989 2.7901 2.7901 11.5041 11.5041 12.0356 12.0356 13.1560 13.1560 17.7629 17.7629 19.1507 19.1507 19.7399 19.7399 20.9998 20.9998 21.8249 21.8249 k = 0.3472 0.2005 0.5670 ( 680 PWs) bands (ev): -46.8905 -46.8905 -21.4058 -21.4058 -20.6452 -20.6452 -20.4968 -20.4968 2.8072 2.8072 11.4251 11.4251 12.0549 12.0549 13.1079 13.1079 17.8585 17.8585 19.1202 19.1202 19.7380 19.7380 20.9830 20.9830 21.9359 21.9359 k = 0.3426 0.1978 0.5595 ( 680 PWs) bands (ev): -46.8910 -46.8910 -21.4050 -21.4050 -20.6450 -20.6450 -20.4946 -20.4946 2.8230 2.8230 11.3496 11.3496 12.0752 12.0752 13.0620 13.0620 17.9531 17.9531 19.0889 19.0889 19.7353 19.7353 20.9653 20.9653 22.0446 22.0446 k = 0.3380 0.1951 0.5519 ( 680 PWs) bands (ev): -46.8916 -46.8916 -21.4041 -21.4041 -20.6446 -20.6446 -20.4922 -20.4922 2.8373 2.8373 11.2779 11.2779 12.0965 12.0965 13.0182 13.0182 18.0464 18.0464 19.0569 19.0569 19.7317 19.7317 20.9467 20.9467 22.1508 22.1508 k = 0.3333 0.1925 0.5443 ( 680 PWs) bands (ev): -46.8921 -46.8921 -21.4031 -21.4031 -20.6441 -20.6441 -20.4897 -20.4897 2.8500 2.8500 11.2101 11.2101 12.1189 12.1189 12.9767 12.9767 18.1381 18.1381 19.0242 19.0242 19.7271 19.7271 20.9274 20.9274 22.2541 22.2541 k = 0.3287 0.1898 0.5368 ( 680 PWs) bands (ev): -46.8928 -46.8928 -21.4021 -21.4021 -20.6435 -20.6435 -20.4870 -20.4870 2.8609 2.8609 11.1465 11.1465 12.1425 12.1425 12.9374 12.9374 18.2280 18.2280 18.9909 18.9909 19.7215 19.7215 20.9073 20.9073 22.3543 22.3543 k = 0.3241 0.1871 0.5292 ( 680 PWs) bands (ev): -46.8934 -46.8934 -21.4010 -21.4010 -20.6427 -20.6427 -20.4843 -20.4843 2.8698 2.8698 11.0872 11.0872 12.1671 12.1671 12.9005 12.9005 18.3156 18.3156 18.9568 18.9568 19.7148 19.7148 20.8865 20.8865 22.4510 22.4510 k = 0.3194 0.1844 0.5217 ( 680 PWs) bands (ev): -46.8941 -46.8941 -21.3998 -21.3998 -20.6417 -20.6417 -20.4814 -20.4814 2.8767 2.8767 11.0324 11.0324 12.1929 12.1929 12.8661 12.8661 18.4007 18.4007 18.9222 18.9222 19.7071 19.7071 20.8651 20.8651 22.5440 22.5440 k = 0.3148 0.1818 0.5141 ( 680 PWs) bands (ev): -46.8948 -46.8948 -21.3985 -21.3985 -20.6406 -20.6406 -20.4784 -20.4784 2.8813 2.8813 10.9824 10.9824 12.2199 12.2199 12.8341 12.8341 18.4830 18.4830 18.8869 18.8869 19.6982 19.6982 20.8432 20.8432 22.6329 22.6329 k = 0.3102 0.1791 0.5065 ( 680 PWs) bands (ev): -46.8956 -46.8956 -21.3971 -21.3971 -20.6393 -20.6393 -20.4754 -20.4754 2.8836 2.8836 10.9373 10.9373 12.2481 12.2481 12.8046 12.8046 18.5622 18.5622 18.8511 18.8511 19.6881 19.6881 20.8208 20.8208 22.7175 22.7175 k = 0.3056 0.1764 0.4990 ( 678 PWs) bands (ev): -46.8965 -46.8965 -21.3957 -21.3957 -20.6379 -20.6379 -20.4723 -20.4723 2.8835 2.8835 10.8972 10.8972 12.2775 12.2775 12.7776 12.7776 18.6378 18.6378 18.8147 18.8147 19.6769 19.6769 20.7979 20.7979 22.7975 22.7975 k = 0.3009 0.1737 0.4914 ( 670 PWs) bands (ev): -46.8973 -46.8973 -21.3941 -21.3941 -20.6362 -20.6362 -20.4691 -20.4691 2.8808 2.8808 10.8623 10.8623 12.3082 12.3082 12.7533 12.7533 18.7095 18.7095 18.7780 18.7780 19.6644 19.6644 20.7748 20.7748 22.8726 22.8726 k = 0.2963 0.1711 0.4838 ( 670 PWs) bands (ev): -46.8982 -46.8982 -21.3924 -21.3924 -20.6344 -20.6344 -20.4658 -20.4658 2.8755 2.8755 10.8327 10.8327 12.3401 12.3401 12.7315 12.7315 18.7400 18.7400 18.7777 18.7777 19.6506 19.6506 20.7513 20.7513 22.9425 22.9425 k = 0.2917 0.1684 0.4763 ( 670 PWs) bands (ev): -46.8992 -46.8992 -21.3905 -21.3905 -20.6323 -20.6323 -20.4626 -20.4626 2.8674 2.8674 10.8085 10.8085 12.3733 12.3733 12.7124 12.7124 18.7025 18.7025 18.8405 18.8405 19.6355 19.6355 20.7276 20.7276 23.0069 23.0069 k = 0.2870 0.1657 0.4687 ( 672 PWs) bands (ev): -46.9002 -46.9002 -21.3886 -21.3886 -20.6300 -20.6300 -20.4592 -20.4592 2.8566 2.8566 10.7898 10.7898 12.4078 12.4078 12.6959 12.6959 18.6642 18.6642 18.8987 18.8987 19.6192 19.6192 20.7037 20.7037 23.0656 23.0656 k = 0.2824 0.1630 0.4612 ( 672 PWs) bands (ev): -46.9013 -46.9013 -21.3865 -21.3865 -20.6276 -20.6276 -20.4559 -20.4559 2.8429 2.8429 10.7767 10.7767 12.4436 12.4436 12.6822 12.6822 18.6256 18.6256 18.9517 18.9517 19.6015 19.6015 20.6796 20.6796 23.1183 23.1183 k = 0.2778 0.1604 0.4536 ( 672 PWs) bands (ev): -46.9024 -46.9024 -21.3842 -21.3842 -20.6249 -20.6249 -20.4525 -20.4525 2.8264 2.8264 10.7693 10.7693 12.4807 12.4807 12.6712 12.6712 18.5866 18.5866 18.9994 18.9994 19.5825 19.5825 20.6554 20.6554 23.1648 23.1648 k = 0.2731 0.1577 0.4460 ( 672 PWs) bands (ev): -46.9035 -46.9035 -21.3818 -21.3818 -20.6220 -20.6220 -20.4491 -20.4491 2.8071 2.8071 10.7675 10.7675 12.5191 12.5191 12.6630 12.6630 18.5473 18.5473 19.0414 19.0414 19.5622 19.5622 20.6311 20.6311 23.2050 23.2050 k = 0.2685 0.1550 0.4385 ( 672 PWs) bands (ev): -46.9047 -46.9047 -21.3793 -21.3793 -20.6190 -20.6190 -20.4457 -20.4457 2.7849 2.7849 10.7714 10.7714 12.5589 12.5589 12.6575 12.6575 18.5078 18.5078 19.0776 19.0776 19.5406 19.5406 20.6066 20.6066 23.2385 23.2385 k = 0.2639 0.1524 0.4309 ( 670 PWs) bands (ev): -46.9060 -46.9060 -21.3766 -21.3766 -20.6157 -20.6157 -20.4423 -20.4423 2.7599 2.7599 10.7810 10.7810 12.5999 12.5999 12.6549 12.6549 18.4679 18.4679 19.1079 19.1079 19.5176 19.5176 20.5819 20.5819 23.2653 23.2653 k = 0.2593 0.1497 0.4234 ( 670 PWs) bands (ev): -46.9072 -46.9072 -21.3737 -21.3737 -20.6122 -20.6122 -20.4389 -20.4389 2.7322 2.7322 10.7963 10.7963 12.6417 12.6417 12.6558 12.6558 18.4279 18.4279 19.1322 19.1322 19.4933 19.4933 20.5569 20.5569 23.2851 23.2851 k = 0.2546 0.1470 0.4158 ( 670 PWs) bands (ev): -46.9086 -46.9086 -21.3707 -21.3707 -20.6085 -20.6085 -20.4355 -20.4355 2.7017 2.7017 10.8171 10.8171 12.6572 12.6572 12.6870 12.6870 18.3877 18.3877 19.1505 19.1505 19.4677 19.4677 20.5315 20.5315 23.2980 23.2980 k = 0.2500 0.1443 0.4082 ( 670 PWs) bands (ev): -46.9099 -46.9099 -21.3675 -21.3675 -20.6047 -20.6047 -20.4321 -20.4321 2.6686 2.6686 10.8436 10.8436 12.6632 12.6632 12.7320 12.7320 18.3474 18.3474 19.1628 19.1628 19.4409 19.4409 20.5055 20.5055 23.3037 23.3037 k = 0.2454 0.1417 0.4007 ( 670 PWs) bands (ev): -46.9114 -46.9114 -21.3641 -21.3641 -20.6006 -20.6006 -20.4287 -20.4287 2.6330 2.6330 10.8755 10.8755 12.6719 12.6719 12.7786 12.7786 18.3069 18.3069 19.1693 19.1693 19.4128 19.4128 20.4789 20.4789 23.3023 23.3023 k = 0.2407 0.1390 0.3931 ( 670 PWs) bands (ev): -46.9128 -46.9128 -21.3606 -21.3606 -20.5964 -20.5964 -20.4253 -20.4253 2.5950 2.5950 10.9128 10.9128 12.6833 12.6833 12.8265 12.8265 18.2664 18.2664 19.1702 19.1702 19.3834 19.3834 20.4515 20.4515 23.2937 23.2937 k = 0.2361 0.1363 0.3856 ( 662 PWs) bands (ev): -46.9143 -46.9143 -21.3569 -21.3569 -20.5919 -20.5919 -20.4220 -20.4220 2.5546 2.5546 10.9554 10.9554 12.6976 12.6976 12.8759 12.8759 18.2259 18.2259 19.1656 19.1656 19.3528 19.3528 20.4230 20.4230 23.2781 23.2781 k = 0.2315 0.1336 0.3780 ( 664 PWs) bands (ev): -46.9158 -46.9158 -21.3531 -21.3531 -20.5873 -20.5873 -20.4187 -20.4187 2.5121 2.5121 11.0032 11.0032 12.7148 12.7148 12.9266 12.9266 18.1854 18.1854 19.1559 19.1559 19.3210 19.3210 20.3934 20.3934 23.2552 23.2552 k = 0.2269 0.1310 0.3704 ( 664 PWs) bands (ev): -46.9173 -46.9173 -21.3491 -21.3491 -20.5825 -20.5825 -20.4154 -20.4154 2.4675 2.4675 11.0560 11.0560 12.7348 12.7348 12.9787 12.9787 18.1450 18.1450 19.1413 19.1413 19.2881 19.2881 20.3625 20.3625 23.2252 23.2252 k = 0.2222 0.1283 0.3629 ( 664 PWs) bands (ev): -46.9189 -46.9189 -21.3450 -21.3450 -20.5775 -20.5775 -20.4122 -20.4122 2.4211 2.4211 11.1137 11.1137 12.7576 12.7576 13.0321 13.0321 18.1046 18.1046 19.1221 19.1221 19.2539 19.2539 20.3302 20.3302 23.1883 23.1883 k = 0.2176 0.1256 0.3553 ( 664 PWs) bands (ev): -46.9206 -46.9206 -21.3407 -21.3407 -20.5724 -20.5724 -20.4090 -20.4090 2.3728 2.3728 11.1763 11.1763 12.7833 12.7833 13.0869 13.0869 18.0644 18.0644 19.0987 19.0987 19.2186 19.2186 20.2965 20.2965 23.1446 23.1446 k = 0.2130 0.1230 0.3478 ( 660 PWs) bands (ev): -46.9222 -46.9222 -21.3363 -21.3363 -20.5671 -20.5671 -20.4059 -20.4059 2.3230 2.3230 11.2434 11.2434 12.8119 12.8119 13.1430 13.1430 18.0244 18.0244 19.0714 19.0714 19.1821 19.1821 20.2611 20.2611 23.0942 23.0942 k = 0.2083 0.1203 0.3402 ( 660 PWs) bands (ev): -46.9239 -46.9239 -21.3318 -21.3318 -20.5617 -20.5617 -20.4028 -20.4028 2.2717 2.2717 11.3150 11.3150 12.8433 12.8433 13.2004 13.2004 17.9846 17.9846 19.0404 19.0404 19.1444 19.1444 20.2242 20.2242 23.0373 23.0373 k = 0.2037 0.1176 0.3326 ( 660 PWs) bands (ev): -46.9256 -46.9256 -21.3271 -21.3271 -20.5561 -20.5561 -20.3997 -20.3997 2.2191 2.2191 11.3910 11.3910 12.8776 12.8776 13.2591 13.2591 17.9450 17.9450 19.0062 19.0062 19.1057 19.1057 20.1857 20.1857 22.9741 22.9741 k = 0.1991 0.1149 0.3251 ( 660 PWs) bands (ev): -46.9273 -46.9273 -21.3224 -21.3224 -20.5503 -20.5503 -20.3967 -20.3967 2.1654 2.1654 11.4711 11.4711 12.9147 12.9147 13.3191 13.3191 17.9057 17.9057 18.9690 18.9690 19.0658 19.0658 20.1456 20.1456 22.9047 22.9047 k = 0.1944 0.1123 0.3175 ( 656 PWs) bands (ev): -46.9290 -46.9290 -21.3175 -21.3175 -20.5445 -20.5445 -20.3938 -20.3938 2.1107 2.1107 11.5552 11.5552 12.9546 12.9546 13.3803 13.3803 17.8668 17.8668 18.9291 18.9291 19.0248 19.0248 20.1040 20.1040 22.8295 22.8295 k = 0.1898 0.1096 0.3100 ( 652 PWs) bands (ev): -46.9308 -46.9308 -21.3126 -21.3126 -20.5385 -20.5385 -20.3909 -20.3909 2.0552 2.0552 11.6431 11.6431 12.9974 12.9974 13.4427 13.4427 17.8282 17.8282 18.8868 18.8868 18.9828 18.9828 20.0610 20.0610 22.7486 22.7486 k = 0.1852 0.1069 0.3024 ( 652 PWs) bands (ev): -46.9326 -46.9326 -21.3075 -21.3075 -20.5323 -20.5323 -20.3880 -20.3880 1.9990 1.9990 11.7348 11.7348 13.0429 13.0429 13.5064 13.5064 17.7900 17.7900 18.8421 18.8421 18.9398 18.9398 20.0166 20.0166 22.6623 22.6623 k = 0.1806 0.1042 0.2948 ( 652 PWs) bands (ev): -46.9343 -46.9343 -21.3025 -21.3025 -20.5261 -20.5261 -20.3853 -20.3853 1.9422 1.9422 11.8299 11.8299 13.0912 13.0912 13.5711 13.5711 17.7523 17.7523 18.7954 18.7954 18.8959 18.8959 19.9709 19.9709 22.5709 22.5709 k = 0.1759 0.1016 0.2873 ( 658 PWs) bands (ev): -46.9362 -46.9362 -21.2973 -21.2973 -20.5197 -20.5197 -20.3826 -20.3826 1.8852 1.8852 11.9285 11.9285 13.1423 13.1423 13.6370 13.6370 17.7150 17.7150 18.7469 18.7469 18.8511 18.8511 19.9240 19.9240 22.4745 22.4745 k = 0.1713 0.0989 0.2797 ( 658 PWs) bands (ev): -46.9380 -46.9380 -21.2921 -21.2921 -20.5133 -20.5133 -20.3799 -20.3799 1.8278 1.8278 12.0302 12.0302 13.1962 13.1962 13.7041 13.7041 17.6782 17.6782 18.6968 18.6968 18.8055 18.8055 19.8761 19.8761 22.3735 22.3735 k = 0.1667 0.0962 0.2722 ( 662 PWs) bands (ev): -46.9398 -46.9398 -21.2869 -21.2869 -20.5068 -20.5068 -20.3773 -20.3773 1.7704 1.7704 12.1350 12.1350 13.2527 13.2527 13.7721 13.7721 17.6419 17.6419 18.6452 18.6452 18.7590 18.7590 19.8271 19.8271 22.2681 22.2681 k = 0.1620 0.0936 0.2646 ( 662 PWs) bands (ev): -46.9416 -46.9416 -21.2817 -21.2817 -20.5002 -20.5002 -20.3748 -20.3748 1.7131 1.7131 12.2426 12.2426 13.3120 13.3120 13.8412 13.8412 17.6063 17.6063 18.5924 18.5924 18.7118 18.7118 19.7773 19.7773 22.1587 22.1587 k = 0.1574 0.0909 0.2570 ( 662 PWs) bands (ev): -46.9434 -46.9434 -21.2765 -21.2765 -20.4935 -20.4935 -20.3724 -20.3724 1.6559 1.6559 12.3530 12.3530 13.3740 13.3740 13.9113 13.9113 17.5712 17.5712 18.5386 18.5386 18.6639 18.6639 19.7265 19.7265 22.0454 22.0454 k = 0.1528 0.0882 0.2495 ( 662 PWs) bands (ev): -46.9452 -46.9452 -21.2712 -21.2712 -20.4867 -20.4867 -20.3700 -20.3700 1.5990 1.5990 12.4660 12.4660 13.4386 13.4386 13.9823 13.9823 17.5368 17.5368 18.4839 18.4839 18.6153 18.6153 19.6750 19.6750 21.9285 21.9285 k = 0.1481 0.0855 0.2419 ( 658 PWs) bands (ev): -46.9470 -46.9470 -21.2660 -21.2660 -20.4800 -20.4800 -20.3677 -20.3677 1.5426 1.5426 12.5814 12.5814 13.5058 13.5058 14.0542 14.0542 17.5031 17.5031 18.4286 18.4286 18.5661 18.5661 19.6229 19.6229 21.8083 21.8083 k = 0.1435 0.0829 0.2344 ( 664 PWs) bands (ev): -46.9487 -46.9487 -21.2609 -21.2609 -20.4731 -20.4731 -20.3654 -20.3654 1.4867 1.4867 12.6990 12.6990 13.5756 13.5756 14.1269 14.1269 17.4700 17.4700 18.3727 18.3727 18.5161 18.5161 19.5700 19.5700 21.6850 21.6850 k = 0.1389 0.0802 0.2268 ( 664 PWs) bands (ev): -46.9505 -46.9505 -21.2558 -21.2558 -20.4663 -20.4663 -20.3632 -20.3632 1.4315 1.4315 12.8188 12.8188 13.6480 13.6480 14.2004 14.2004 17.4377 17.4377 18.3166 18.3166 18.4656 18.4656 19.5165 19.5165 21.5589 21.5589 k = 0.1343 0.0775 0.2192 ( 660 PWs) bands (ev): -46.9522 -46.9522 -21.2507 -21.2507 -20.4595 -20.4595 -20.3611 -20.3611 1.3770 1.3770 12.9405 12.9405 13.7229 13.7229 14.2746 14.2746 17.4063 17.4063 18.2603 18.2603 18.4145 18.4145 19.4623 19.4623 21.4302 21.4302 k = 0.1296 0.0748 0.2117 ( 660 PWs) bands (ev): -46.9539 -46.9539 -21.2458 -21.2458 -20.4527 -20.4527 -20.3591 -20.3591 1.3235 1.3235 13.0640 13.0640 13.8002 13.8002 14.3495 14.3495 17.3755 17.3755 18.2041 18.2041 18.3627 18.3627 19.4076 19.4076 21.2992 21.2992 k = 0.1250 0.0722 0.2041 ( 658 PWs) bands (ev): -46.9556 -46.9556 -21.2409 -21.2409 -20.4459 -20.4459 -20.3571 -20.3571 1.2709 1.2709 13.1891 13.1891 13.8800 13.8800 14.4250 14.4250 17.3456 17.3456 18.1480 18.1480 18.3104 18.3104 19.3522 19.3522 21.1661 21.1661 k = 0.1204 0.0695 0.1966 ( 658 PWs) bands (ev): -46.9573 -46.9573 -21.2361 -21.2361 -20.4391 -20.4391 -20.3552 -20.3552 1.2194 1.2194 13.3157 13.3157 13.9621 13.9621 14.5011 14.5011 17.3165 17.3165 18.0923 18.0923 18.2575 18.2575 19.2963 19.2963 21.0311 21.0311 k = 0.1157 0.0668 0.1890 ( 660 PWs) bands (ev): -46.9589 -46.9589 -21.2314 -21.2314 -20.4324 -20.4324 -20.3534 -20.3534 1.1691 1.1691 13.4435 13.4435 14.0465 14.0465 14.5776 14.5776 17.2883 17.2883 18.0370 18.0370 18.2040 18.2040 19.2397 19.2397 20.8945 20.8945 k = 0.1111 0.0642 0.1814 ( 660 PWs) bands (ev): -46.9605 -46.9605 -21.2268 -21.2268 -20.4258 -20.4258 -20.3517 -20.3517 1.1200 1.1200 13.5726 13.5726 14.1332 14.1332 14.6545 14.6545 17.2610 17.2610 17.9822 17.9822 18.1500 18.1500 19.1825 19.1825 20.7565 20.7565 k = 0.1065 0.0615 0.1739 ( 660 PWs) bands (ev): -46.9621 -46.9621 -21.2224 -21.2224 -20.4192 -20.4192 -20.3500 -20.3500 1.0723 1.0723 13.7025 13.7025 14.2220 14.2220 14.7318 14.7318 17.2346 17.2346 17.9282 17.9282 18.0955 18.0955 19.1247 19.1247 20.6173 20.6173 k = 0.1019 0.0588 0.1663 ( 660 PWs) bands (ev): -46.9636 -46.9636 -21.2181 -21.2181 -20.4128 -20.4128 -20.3484 -20.3484 1.0261 1.0261 13.8333 13.8333 14.3129 14.3129 14.8094 14.8094 17.2092 17.2092 17.8750 17.8750 18.0405 18.0405 19.0662 19.0662 20.4771 20.4771 k = 0.0972 0.0561 0.1588 ( 660 PWs) bands (ev): -46.9651 -46.9651 -21.2139 -21.2139 -20.4065 -20.4065 -20.3469 -20.3469 0.9813 0.9813 13.9646 13.9646 14.4059 14.4059 14.8871 14.8871 17.1847 17.1847 17.8226 17.8226 17.9849 17.9849 19.0071 19.0071 20.3363 20.3363 k = 0.0926 0.0535 0.1512 ( 660 PWs) bands (ev): -46.9665 -46.9665 -21.2099 -21.2099 -20.4003 -20.4003 -20.3454 -20.3454 0.9382 0.9382 14.0964 14.0964 14.5007 14.5007 14.9649 14.9649 17.1613 17.1613 17.7711 17.7711 17.9289 17.9289 18.9473 18.9473 20.1949 20.1949 k = 0.0880 0.0508 0.1436 ( 660 PWs) bands (ev): -46.9678 -46.9678 -21.2061 -21.2061 -20.3943 -20.3943 -20.3440 -20.3440 0.8967 0.8967 14.2284 14.2284 14.5973 14.5973 15.0427 15.0427 17.1388 17.1388 17.7207 17.7207 17.8725 17.8725 18.8870 18.8870 20.0533 20.0533 k = 0.0833 0.0481 0.1361 ( 660 PWs) bands (ev): -46.9692 -46.9692 -21.2024 -21.2024 -20.3884 -20.3884 -20.3427 -20.3427 0.8569 0.8569 14.3603 14.3603 14.6956 14.6956 15.1205 15.1205 17.1174 17.1174 17.6712 17.6712 17.8156 17.8156 18.8260 18.8260 19.9117 19.9117 k = 0.0787 0.0454 0.1285 ( 668 PWs) bands (ev): -46.9705 -46.9705 -21.1989 -21.1989 -20.3828 -20.3828 -20.3415 -20.3415 0.8189 0.8189 14.4921 14.4921 14.7955 14.7955 15.1981 15.1981 17.0970 17.0970 17.6227 17.6227 17.7583 17.7583 18.7645 18.7645 19.7702 19.7702 k = 0.0741 0.0428 0.1210 ( 668 PWs) bands (ev): -46.9717 -46.9717 -21.1955 -21.1955 -20.3774 -20.3774 -20.3403 -20.3403 0.7828 0.7828 14.6233 14.6233 14.8966 14.8966 15.2754 15.2754 17.0777 17.0777 17.5751 17.5751 17.7006 17.7006 18.7026 18.7026 19.6293 19.6293 k = 0.0694 0.0401 0.1134 ( 668 PWs) bands (ev): -46.9728 -46.9728 -21.1924 -21.1924 -20.3722 -20.3722 -20.3392 -20.3392 0.7486 0.7486 14.7539 14.7539 14.9989 14.9989 15.3523 15.3523 17.0594 17.0594 17.5284 17.5284 17.6427 17.6427 18.6404 18.6404 19.4892 19.4892 k = 0.0648 0.0374 0.1058 ( 664 PWs) bands (ev): -46.9739 -46.9739 -21.1894 -21.1894 -20.3672 -20.3672 -20.3382 -20.3382 0.7163 0.7163 14.8834 14.8834 15.1021 15.1021 15.4288 15.4288 17.0424 17.0424 17.4825 17.4825 17.5846 17.5846 18.5781 18.5781 19.3503 19.3503 k = 0.0602 0.0347 0.0983 ( 660 PWs) bands (ev): -46.9749 -46.9749 -21.1866 -21.1866 -20.3625 -20.3625 -20.3372 -20.3372 0.6860 0.6860 15.0116 15.0116 15.2060 15.2060 15.5045 15.5045 17.0263 17.0263 17.4371 17.4371 17.5264 17.5264 18.5161 18.5161 19.2130 19.2130 k = 0.0556 0.0321 0.0907 ( 660 PWs) bands (ev): -46.9758 -46.9758 -21.1840 -21.1840 -20.3581 -20.3581 -20.3364 -20.3364 0.6578 0.6578 15.1382 15.1382 15.3100 15.3100 15.5794 15.5794 17.0114 17.0114 17.3921 17.3921 17.4683 17.4683 18.4545 18.4545 19.0775 19.0775 k = 0.0509 0.0294 0.0832 ( 660 PWs) bands (ev): -46.9767 -46.9767 -21.1816 -21.1816 -20.3540 -20.3540 -20.3356 -20.3356 0.6317 0.6317 15.2627 15.2627 15.4139 15.4139 15.6532 15.6532 16.9977 16.9977 17.3471 17.3471 17.4104 17.4104 18.3939 18.3939 18.9445 18.9445 k = 0.0463 0.0267 0.0756 ( 664 PWs) bands (ev): -46.9775 -46.9775 -21.1794 -21.1794 -20.3502 -20.3502 -20.3348 -20.3348 0.6078 0.6078 15.3848 15.3848 15.5171 15.5171 15.7258 15.7258 16.9850 16.9850 17.3017 17.3017 17.3532 17.3532 18.3346 18.3346 18.8146 18.8146 k = 0.0417 0.0241 0.0680 ( 654 PWs) bands (ev): -46.9782 -46.9782 -21.1775 -21.1775 -20.3467 -20.3467 -20.3342 -20.3342 0.5860 0.5860 15.5038 15.5038 15.6188 15.6188 15.7968 15.7968 16.9736 16.9736 17.2555 17.2555 17.2971 17.2971 18.2775 18.2775 18.6885 18.6885 k = 0.0370 0.0214 0.0605 ( 655 PWs) bands (ev): -46.9789 -46.9789 -21.1757 -21.1757 -20.3435 -20.3435 -20.3336 -20.3336 0.5664 0.5664 15.6190 15.6190 15.7182 15.7182 15.8658 15.8658 16.9632 16.9632 17.2080 17.2080 17.2427 17.2427 18.2231 18.2231 18.5672 18.5672 k = 0.0324 0.0187 0.0529 ( 655 PWs) bands (ev): -46.9795 -46.9795 -21.1741 -21.1741 -20.3407 -20.3407 -20.3330 -20.3330 0.5491 0.5491 15.7297 15.7297 15.8142 15.8142 15.9323 15.9323 16.9540 16.9540 17.1590 17.1590 17.1905 17.1905 18.1723 18.1723 18.4518 18.4518 k = 0.0278 0.0160 0.0454 ( 651 PWs) bands (ev): -46.9800 -46.9800 -21.1727 -21.1727 -20.3382 -20.3382 -20.3326 -20.3326 0.5340 0.5340 15.8347 15.8347 15.9052 15.9052 15.9956 15.9956 16.9459 16.9459 17.1095 17.1095 17.1405 17.1405 18.1260 18.1260 18.3439 18.3439 k = 0.0231 0.0134 0.0378 ( 649 PWs) bands (ev): -46.9804 -46.9804 -21.1716 -21.1716 -20.3361 -20.3361 -20.3322 -20.3322 0.5212 0.5212 15.9324 15.9324 15.9896 15.9896 16.0550 16.0550 16.9388 16.9388 17.0610 17.0610 17.0924 17.0924 18.0849 18.0849 18.2453 18.2453 k = 0.0185 0.0107 0.0302 ( 645 PWs) bands (ev): -46.9808 -46.9808 -21.1706 -21.1706 -20.3344 -20.3344 -20.3319 -20.3319 0.5107 0.5107 16.0203 16.0203 16.0651 16.0651 16.1090 16.1090 16.9326 16.9326 17.0156 17.0156 17.0469 17.0469 18.0501 18.0501 18.1584 18.1584 k = 0.0139 0.0080 0.0227 ( 645 PWs) bands (ev): -46.9811 -46.9811 -21.1699 -21.1699 -20.3331 -20.3331 -20.3316 -20.3316 0.5025 0.5025 16.0945 16.0945 16.1296 16.1296 16.1563 16.1563 16.9271 16.9271 16.9753 16.9753 17.0061 17.0061 18.0221 18.0221 18.0860 18.0860 k = 0.0093 0.0053 0.0151 ( 645 PWs) bands (ev): -46.9813 -46.9813 -21.1694 -21.1694 -20.3321 -20.3321 -20.3315 -20.3315 0.4966 0.4966 16.1496 16.1496 16.1812 16.1812 16.1946 16.1946 16.9215 16.9215 16.9426 16.9426 16.9739 16.9739 18.0016 18.0016 18.0311 18.0311 k = 0.0046 0.0027 0.0076 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1690 -21.1690 -20.3315 -20.3315 -20.3313 -20.3313 0.4931 0.4931 16.1821 16.1821 16.2165 16.2165 16.2202 16.2202 16.9157 16.9157 16.9206 16.9206 16.9548 16.9548 17.9892 17.9892 17.9967 17.9967 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1689 -21.1689 -20.3313 -20.3313 -20.3313 -20.3313 0.4919 0.4919 16.1927 16.1927 16.2292 16.2292 16.2292 16.2292 16.9127 16.9127 16.9127 16.9127 16.9490 16.9490 17.9850 17.9850 17.9850 17.9850 k = 0.0000 0.0000 0.0000 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1689 -21.1689 -20.3313 -20.3313 -20.3313 -20.3313 0.4919 0.4919 16.1927 16.1927 16.2292 16.2292 16.2292 16.2292 16.9127 16.9127 16.9127 16.9127 16.9490 16.9490 17.9850 17.9850 17.9850 17.9850 k = 0.0076 0.0044 0.0031 ( 645 PWs) bands (ev): -46.9814 -46.9814 -21.1690 -21.1690 -20.3315 -20.3315 -20.3313 -20.3313 0.4931 0.4931 16.1822 16.1822 16.2171 16.2171 16.2194 16.2194 16.9164 16.9164 16.9200 16.9200 16.9547 16.9547 17.9930 17.9930 17.9930 17.9930 k = 0.0152 0.0087 0.0062 ( 645 PWs) bands (ev): -46.9813 -46.9813 -21.1694 -21.1694 -20.3321 -20.3321 -20.3314 -20.3314 0.4967 0.4967 16.1507 16.1507 16.1834 16.1834 16.1907 16.1907 16.9268 16.9268 16.9368 16.9368 16.9743 16.9743 18.0166 18.0166 18.0168 18.0168 k = 0.0227 0.0131 0.0093 ( 645 PWs) bands (ev): -46.9811 -46.9811 -21.1699 -21.1699 -20.3331 -20.3331 -20.3316 -20.3316 0.5025 0.5025 16.0991 16.0991 16.1343 16.1343 16.1458 16.1458 16.9422 16.9422 16.9553 16.9553 17.0099 17.0099 18.0550 18.0550 18.0554 18.0554 k = 0.0303 0.0175 0.0124 ( 645 PWs) bands (ev): -46.9808 -46.9808 -21.1706 -21.1706 -20.3346 -20.3346 -20.3317 -20.3317 0.5108 0.5108 16.0299 16.0299 16.0746 16.0746 16.0877 16.0877 16.9609 16.9609 16.9740 16.9740 17.0567 17.0567 18.1068 18.1068 18.1075 18.1075 k = 0.0379 0.0219 0.0155 ( 646 PWs) bands (ev): -46.9804 -46.9804 -21.1716 -21.1716 -20.3364 -20.3364 -20.3320 -20.3320 0.5213 0.5213 15.9477 15.9477 16.0063 16.0063 16.0193 16.0193 16.9815 16.9815 16.9935 16.9935 17.1095 17.1095 18.1705 18.1705 18.1714 18.1714 k = 0.0455 0.0262 0.0186 ( 652 PWs) bands (ev): -46.9800 -46.9800 -21.1728 -21.1728 -20.3386 -20.3386 -20.3323 -20.3323 0.5342 0.5342 15.8559 15.8559 15.9309 15.9309 15.9432 15.9432 17.0031 17.0031 17.0137 17.0137 17.1652 17.1652 18.2444 18.2444 18.2455 18.2455 k = 0.0530 0.0306 0.0216 ( 658 PWs) bands (ev): -46.9795 -46.9795 -21.1741 -21.1741 -20.3412 -20.3412 -20.3326 -20.3326 0.5494 0.5494 15.7568 15.7568 15.8499 15.8499 15.8613 15.8613 17.0253 17.0253 17.0345 17.0345 17.2219 17.2219 18.3269 18.3269 18.3282 18.3282 k = 0.0606 0.0350 0.0247 ( 658 PWs) bands (ev): -46.9789 -46.9789 -21.1757 -21.1757 -20.3441 -20.3441 -20.3330 -20.3330 0.5668 0.5668 15.6519 15.6519 15.7647 15.7647 15.7750 15.7750 17.0481 17.0481 17.0561 17.0561 17.2785 17.2785 18.4166 18.4166 18.4181 18.4181 k = 0.0682 0.0394 0.0278 ( 658 PWs) bands (ev): -46.9782 -46.9782 -21.1775 -21.1775 -20.3474 -20.3474 -20.3334 -20.3334 0.5866 0.5866 15.5421 15.5421 15.6762 15.6762 15.6856 15.6856 17.0715 17.0715 17.0784 17.0784 17.3344 17.3344 18.5124 18.5124 18.5140 18.5140 k = 0.0758 0.0437 0.0309 ( 661 PWs) bands (ev): -46.9775 -46.9775 -21.1795 -21.1795 -20.3511 -20.3511 -20.3339 -20.3339 0.6085 0.6085 15.4281 15.4281 15.5853 15.5853 15.5939 15.5939 17.0956 17.0956 17.1015 17.1015 17.3892 17.3892 18.6131 18.6131 18.6147 18.6147 k = 0.0833 0.0481 0.0340 ( 655 PWs) bands (ev): -46.9767 -46.9767 -21.1817 -21.1817 -20.3551 -20.3551 -20.3345 -20.3345 0.6327 0.6327 15.3105 15.3105 15.4928 15.4928 15.5006 15.5006 17.1204 17.1204 17.1256 17.1256 17.4427 17.4427 18.7179 18.7179 18.7196 18.7196 k = 0.0909 0.0525 0.0371 ( 655 PWs) bands (ev): -46.9758 -46.9758 -21.1841 -21.1841 -20.3595 -20.3595 -20.3350 -20.3350 0.6591 0.6591 15.1896 15.1896 15.3992 15.3992 15.4063 15.4063 17.1462 17.1462 17.1508 17.1508 17.4949 17.4949 18.8259 18.8259 18.8277 18.8277 k = 0.0985 0.0569 0.0402 ( 655 PWs) bands (ev): -46.9748 -46.9748 -21.1868 -21.1868 -20.3641 -20.3641 -20.3357 -20.3357 0.6876 0.6876 15.0659 15.0659 15.3050 15.3050 15.3115 15.3115 17.1731 17.1731 17.1771 17.1771 17.5458 17.5458 18.9367 18.9367 18.9385 18.9385 k = 0.1061 0.0612 0.0433 ( 661 PWs) bands (ev): -46.9739 -46.9739 -21.1896 -21.1896 -20.3690 -20.3690 -20.3363 -20.3363 0.7183 0.7183 14.9396 14.9396 15.2104 15.2104 15.2164 15.2164 17.2010 17.2010 17.2045 17.2045 17.5953 17.5953 19.0497 19.0497 19.0515 19.0515 k = 0.1136 0.0656 0.0464 ( 661 PWs) bands (ev): -46.9728 -46.9728 -21.1926 -21.1926 -20.3743 -20.3743 -20.3370 -20.3370 0.7510 0.7510 14.8110 14.8110 15.1159 15.1159 15.1213 15.1213 17.2301 17.2301 17.2332 17.2332 17.6435 17.6435 19.1646 19.1646 19.1664 19.1664 k = 0.1212 0.0700 0.0495 ( 661 PWs) bands (ev): -46.9716 -46.9716 -21.1958 -21.1958 -20.3797 -20.3797 -20.3378 -20.3378 0.7858 0.7858 14.6805 14.6805 15.0216 15.0216 15.0266 15.0266 17.2605 17.2605 17.2632 17.2632 17.6907 17.6907 19.2808 19.2808 19.2827 19.2827 k = 0.1288 0.0744 0.0526 ( 655 PWs) bands (ev): -46.9704 -46.9704 -21.1992 -21.1992 -20.3855 -20.3855 -20.3386 -20.3386 0.8226 0.8226 14.5482 14.5482 14.9279 14.9279 14.9325 14.9325 17.2921 17.2921 17.2945 17.2945 17.7369 17.7369 19.3983 19.3983 19.4001 19.4001 k = 0.1364 0.0787 0.0557 ( 655 PWs) bands (ev): -46.9691 -46.9691 -21.2028 -21.2028 -20.3914 -20.3914 -20.3394 -20.3394 0.8613 0.8613 14.4143 14.4143 14.8348 14.8348 14.8390 14.8390 17.3249 17.3249 17.3271 17.3271 17.7822 17.7822 19.5165 19.5165 19.5184 19.5184 k = 0.1439 0.0831 0.0588 ( 655 PWs) bands (ev): -46.9678 -46.9678 -21.2066 -21.2066 -20.3976 -20.3976 -20.3403 -20.3403 0.9020 0.9020 14.2792 14.2792 14.7425 14.7425 14.7463 14.7463 17.3590 17.3590 17.3610 17.3610 17.8268 17.8268 19.6354 19.6354 19.6373 19.6373 k = 0.1515 0.0875 0.0619 ( 655 PWs) bands (ev): -46.9665 -46.9665 -21.2105 -21.2105 -20.4039 -20.4039 -20.3411 -20.3411 0.9445 0.9445 14.1429 14.1429 14.6512 14.6512 14.6547 14.6547 17.3943 17.3943 17.3961 17.3961 17.8708 17.8708 19.7547 19.7547 19.7566 19.7566 k = 0.1591 0.0919 0.0649 ( 655 PWs) bands (ev): -46.9651 -46.9651 -21.2147 -21.2147 -20.4104 -20.4104 -20.3421 -20.3421 0.9888 0.9888 14.0057 14.0057 14.5609 14.5609 14.5641 14.5641 17.4309 17.4309 17.4325 17.4325 17.9143 17.9143 19.8743 19.8743 19.8762 19.8762 k = 0.1667 0.0962 0.0680 ( 655 PWs) bands (ev): -46.9636 -46.9636 -21.2190 -21.2190 -20.4170 -20.4170 -20.3430 -20.3430 1.0348 1.0348 13.8677 13.8677 14.4718 14.4718 14.4747 14.4747 17.4686 17.4686 17.4701 17.4701 17.9576 17.9576 19.9939 19.9939 19.9958 19.9958 k = 0.1742 0.1006 0.0711 ( 655 PWs) bands (ev): -46.9621 -46.9621 -21.2235 -21.2235 -20.4238 -20.4238 -20.3440 -20.3440 1.0826 1.0826 13.7293 13.7293 14.3839 14.3839 14.3866 14.3866 17.5075 17.5075 17.5088 17.5088 18.0006 18.0006 20.1133 20.1133 20.1154 20.1154 k = 0.1818 0.1050 0.0742 ( 655 PWs) bands (ev): -46.9606 -46.9606 -21.2281 -21.2281 -20.4307 -20.4307 -20.3450 -20.3450 1.1319 1.1319 13.5904 13.5904 14.2974 14.2974 14.2998 14.2998 17.5474 17.5474 17.5487 17.5487 18.0437 18.0437 20.2326 20.2326 20.2346 20.2346 k = 0.1894 0.1093 0.0773 ( 661 PWs) bands (ev): -46.9590 -46.9590 -21.2329 -21.2329 -20.4377 -20.4377 -20.3460 -20.3460 1.1829 1.1829 13.4514 13.4514 14.2123 14.2123 14.2144 14.2144 17.5884 17.5884 17.5895 17.5895 18.0867 18.0867 20.3514 20.3514 20.3535 20.3535 k = 0.1970 0.1137 0.0804 ( 661 PWs) bands (ev): -46.9574 -46.9574 -21.2378 -21.2378 -20.4447 -20.4447 -20.3471 -20.3471 1.2353 1.2353 13.3123 13.3123 14.1286 14.1286 14.1306 14.1306 17.6304 17.6304 17.6315 17.6315 18.1300 18.1300 20.4697 20.4697 20.4719 20.4719 k = 0.2045 0.1181 0.0835 ( 661 PWs) bands (ev): -46.9558 -46.9558 -21.2429 -21.2429 -20.4517 -20.4517 -20.3481 -20.3481 1.2891 1.2891 13.1733 13.1733 14.0465 14.0465 14.0483 14.0483 17.6733 17.6733 17.6743 17.6743 18.1736 18.1736 20.5873 20.5873 20.5895 20.5895 k = 0.2121 0.1225 0.0866 ( 658 PWs) bands (ev): -46.9542 -46.9542 -21.2480 -21.2480 -20.4588 -20.4588 -20.3492 -20.3492 1.3443 1.3443 13.0347 13.0347 13.9660 13.9660 13.9676 13.9676 17.7170 17.7170 17.7180 17.7180 18.2176 18.2176 20.7041 20.7041 20.7065 20.7065 k = 0.2197 0.1268 0.0897 ( 658 PWs) bands (ev): -46.9525 -46.9525 -21.2533 -21.2533 -20.4659 -20.4659 -20.3503 -20.3503 1.4007 1.4007 12.8964 12.8964 13.8872 13.8872 13.8885 13.8885 17.7616 17.7616 17.7625 17.7625 18.2621 18.2621 20.8201 20.8201 20.8225 20.8225 k = 0.2273 0.1312 0.0928 ( 658 PWs) bands (ev): -46.9508 -46.9508 -21.2588 -21.2588 -20.4730 -20.4730 -20.3514 -20.3514 1.4583 1.4583 12.7588 12.7588 13.8100 13.8100 13.8111 13.8111 17.8068 17.8068 17.8078 17.8078 18.3071 18.3071 20.9349 20.9349 20.9374 20.9374 k = 0.2348 0.1356 0.0959 ( 655 PWs) bands (ev): -46.9491 -46.9491 -21.2643 -21.2643 -20.4801 -20.4801 -20.3525 -20.3525 1.5170 1.5170 12.6219 12.6219 13.7345 13.7345 13.7355 13.7355 17.8527 17.8527 17.8536 17.8536 18.3528 18.3528 21.0487 21.0487 21.0513 21.0513 k = 0.2424 0.1400 0.0990 ( 655 PWs) bands (ev): -46.9474 -46.9474 -21.2699 -21.2699 -20.4871 -20.4871 -20.3536 -20.3536 1.5767 1.5767 12.4859 12.4859 13.6609 13.6609 13.6617 13.6617 17.8991 17.8991 17.9001 17.9001 18.3992 18.3992 21.1612 21.1612 21.1638 21.1638 k = 0.2500 0.1443 0.1021 ( 655 PWs) bands (ev): -46.9457 -46.9457 -21.2755 -21.2755 -20.4940 -20.4940 -20.3547 -20.3547 1.6374 1.6374 12.3509 12.3509 13.5890 13.5890 13.5896 13.5896 17.9460 17.9460 17.9469 17.9469 18.4463 18.4463 21.2723 21.2723 21.2750 21.2750 k = 0.2576 0.1487 0.1052 ( 655 PWs) bands (ev): -46.9440 -46.9440 -21.2813 -21.2813 -20.5009 -20.5009 -20.3558 -20.3558 1.6988 1.6988 12.2171 12.2171 13.5190 13.5190 13.5194 13.5194 17.9932 17.9932 17.9942 17.9942 18.4942 18.4942 21.3819 21.3819 21.3847 21.3847 k = 0.2652 0.1531 0.1082 ( 658 PWs) bands (ev): -46.9423 -46.9423 -21.2870 -21.2870 -20.5076 -20.5076 -20.3569 -20.3569 1.7609 1.7609 12.0846 12.0846 13.4508 13.4508 13.4511 13.4511 18.0406 18.0406 18.0417 18.0417 18.5429 18.5429 21.4899 21.4899 21.4928 21.4928 k = 0.2727 0.1575 0.1113 ( 658 PWs) bands (ev): -46.9406 -46.9406 -21.2928 -21.2928 -20.5143 -20.5143 -20.3580 -20.3580 1.8237 1.8237 11.9536 11.9536 13.3846 13.3846 13.3847 13.3847 18.0883 18.0883 18.0894 18.0894 18.5924 18.5924 21.5961 21.5961 21.5992 21.5992 k = 0.2803 0.1618 0.1144 ( 658 PWs) bands (ev): -46.9389 -46.9389 -21.2987 -21.2987 -20.5208 -20.5208 -20.3591 -20.3591 1.8869 1.8869 11.8242 11.8242 13.3202 13.3202 13.3203 13.3203 18.1360 18.1360 18.1371 18.1371 18.6428 18.6428 21.7006 21.7006 21.7037 21.7037 k = 0.2879 0.1662 0.1175 ( 652 PWs) bands (ev): -46.9372 -46.9372 -21.3045 -21.3045 -20.5272 -20.5272 -20.3602 -20.3602 1.9505 1.9505 11.6966 11.6966 13.2578 13.2578 13.2579 13.2579 18.1837 18.1837 18.1849 18.1849 18.6939 18.6939 21.8031 21.8031 21.8064 21.8064 k = 0.2955 0.1706 0.1206 ( 652 PWs) bands (ev): -46.9356 -46.9356 -21.3103 -21.3103 -20.5335 -20.5335 -20.3612 -20.3612 2.0143 2.0143 11.5708 11.5708 13.1973 13.1973 13.1975 13.1975 18.2312 18.2312 18.2324 18.2324 18.7459 18.7459 21.9035 21.9035 21.9069 21.9069 k = 0.3030 0.1750 0.1237 ( 652 PWs) bands (ev): -46.9339 -46.9339 -21.3161 -21.3161 -20.5396 -20.5396 -20.3623 -20.3623 2.0783 2.0783 11.4472 11.4472 13.1388 13.1388 13.1392 13.1392 18.2784 18.2784 18.2798 18.2798 18.7987 18.7987 22.0018 22.0018 22.0053 22.0053 k = 0.3106 0.1793 0.1268 ( 658 PWs) bands (ev): -46.9323 -46.9323 -21.3219 -21.3219 -20.5455 -20.5455 -20.3633 -20.3633 2.1422 2.1422 11.3257 11.3257 13.0824 13.0824 13.0828 13.0828 18.3252 18.3252 18.3267 18.3267 18.8521 18.8521 22.0977 22.0977 22.1014 22.1014 k = 0.3182 0.1837 0.1299 ( 658 PWs) bands (ev): -46.9308 -46.9308 -21.3276 -21.3276 -20.5512 -20.5512 -20.3644 -20.3644 2.2059 2.2059 11.2066 11.2066 13.0280 13.0280 13.0286 13.0286 18.3715 18.3715 18.3731 18.3731 18.9062 18.9062 22.1913 22.1913 22.1951 22.1951 k = 0.3258 0.1881 0.1330 ( 658 PWs) bands (ev): -46.9292 -46.9292 -21.3332 -21.3332 -20.5568 -20.5568 -20.3653 -20.3653 2.2693 2.2693 11.0902 11.0902 12.9757 12.9757 12.9764 12.9764 18.4173 18.4173 18.4190 18.4190 18.9609 18.9609 22.2824 22.2824 22.2862 22.2862 k = 0.3333 0.1925 0.1361 ( 658 PWs) bands (ev): -46.9277 -46.9277 -21.3387 -21.3387 -20.5621 -20.5621 -20.3663 -20.3663 2.3323 2.3323 10.9764 10.9764 12.9255 12.9255 12.9263 12.9263 18.4622 18.4622 18.4641 18.4641 19.0161 19.0161 22.3708 22.3708 22.3748 22.3748 k = 0.3409 0.1968 0.1392 ( 658 PWs) bands (ev): -46.9263 -46.9263 -21.3441 -21.3441 -20.5673 -20.5673 -20.3673 -20.3673 2.3945 2.3945 10.8655 10.8655 12.8774 12.8774 12.8783 12.8783 18.5063 18.5063 18.5083 18.5083 19.0716 19.0716 22.4564 22.4564 22.4605 22.4605 k = 0.3485 0.2012 0.1423 ( 658 PWs) bands (ev): -46.9248 -46.9248 -21.3494 -21.3494 -20.5722 -20.5722 -20.3682 -20.3682 2.4560 2.4560 10.7578 10.7578 12.8314 12.8314 12.8324 12.8324 18.5495 18.5495 18.5516 18.5516 19.1274 19.1274 22.5392 22.5392 22.5434 22.5434 k = 0.3561 0.2056 0.1454 ( 658 PWs) bands (ev): -46.9235 -46.9235 -21.3546 -21.3546 -20.5769 -20.5769 -20.3691 -20.3691 2.5164 2.5164 10.6532 10.6532 12.7876 12.7876 12.7887 12.7887 18.5915 18.5915 18.5937 18.5937 19.1832 19.1832 22.6190 22.6190 22.6233 22.6233 k = 0.3636 0.2099 0.1485 ( 658 PWs) bands (ev): -46.9221 -46.9221 -21.3596 -21.3596 -20.5815 -20.5815 -20.3699 -20.3699 2.5756 2.5756 10.5522 10.5522 12.7460 12.7460 12.7471 12.7471 18.6323 18.6323 18.6346 18.6346 19.2389 19.2389 22.6956 22.6956 22.7001 22.7001 k = 0.3712 0.2143 0.1515 ( 658 PWs) bands (ev): -46.9209 -46.9209 -21.3645 -21.3645 -20.5857 -20.5857 -20.3707 -20.3707 2.6334 2.6334 10.4548 10.4548 12.7065 12.7065 12.7077 12.7077 18.6717 18.6717 18.6742 18.6742 19.2943 19.2943 22.7691 22.7691 22.7737 22.7737 k = 0.3788 0.2187 0.1546 ( 664 PWs) bands (ev): -46.9197 -46.9197 -21.3691 -21.3691 -20.5898 -20.5898 -20.3715 -20.3715 2.6896 2.6896 10.3613 10.3613 12.6692 12.6692 12.6705 12.6705 18.7096 18.7096 18.7123 18.7123 19.3491 19.3491 22.8391 22.8391 22.8439 22.8439 k = 0.3864 0.2231 0.1577 ( 664 PWs) bands (ev): -46.9185 -46.9185 -21.3736 -21.3736 -20.5936 -20.5936 -20.3722 -20.3722 2.7440 2.7440 10.2719 10.2719 12.6341 12.6341 12.6355 12.6355 18.7460 18.7460 18.7487 18.7487 19.4032 19.4032 22.9057 22.9057 22.9106 22.9106 k = 0.3939 0.2274 0.1608 ( 664 PWs) bands (ev): -46.9174 -46.9174 -21.3778 -21.3778 -20.5972 -20.5972 -20.3729 -20.3729 2.7964 2.7964 10.1869 10.1869 12.6012 12.6012 12.6027 12.6027 18.7806 18.7806 18.7835 18.7835 19.4562 19.4562 22.9687 22.9687 22.9737 22.9737 k = 0.4015 0.2318 0.1639 ( 664 PWs) bands (ev): -46.9164 -46.9164 -21.3818 -21.3818 -20.6006 -20.6006 -20.3736 -20.3736 2.8465 2.8465 10.1063 10.1063 12.5706 12.5706 12.5721 12.5721 18.8134 18.8134 18.8165 18.8165 19.5079 19.5079 23.0280 23.0280 23.0331 23.0331 k = 0.4091 0.2362 0.1670 ( 664 PWs) bands (ev): -46.9154 -46.9154 -21.3856 -21.3856 -20.6037 -20.6037 -20.3742 -20.3742 2.8941 2.8941 10.0305 10.0305 12.5422 12.5422 12.5437 12.5437 18.8443 18.8443 18.8475 18.8475 19.5579 19.5579 23.0835 23.0835 23.0887 23.0887 k = 0.4167 0.2406 0.1701 ( 664 PWs) bands (ev): -46.9145 -46.9145 -21.3891 -21.3891 -20.6065 -20.6065 -20.3748 -20.3748 2.9389 2.9389 9.9597 9.9597 12.5160 12.5160 12.5176 12.5176 18.8731 18.8731 18.8764 18.8764 19.6059 19.6059 23.1350 23.1350 23.1403 23.1403 k = 0.4242 0.2449 0.1732 ( 664 PWs) bands (ev): -46.9137 -46.9137 -21.3923 -21.3923 -20.6092 -20.6092 -20.3753 -20.3753 2.9809 2.9809 9.8941 9.8941 12.4921 12.4921 12.4938 12.4938 18.8998 18.8998 18.9032 18.9032 19.6515 19.6515 23.1825 23.1825 23.1879 23.1879 k = 0.4318 0.2493 0.1763 ( 664 PWs) bands (ev): -46.9130 -46.9130 -21.3953 -21.3953 -20.6115 -20.6115 -20.3758 -20.3758 3.0196 3.0196 9.8339 9.8339 12.4704 12.4704 12.4721 12.4721 18.9242 18.9242 18.9278 18.9278 19.6944 19.6944 23.2258 23.2258 23.2312 23.2312 k = 0.4394 0.2537 0.1794 ( 667 PWs) bands (ev): -46.9123 -46.9123 -21.3980 -21.3980 -20.6137 -20.6137 -20.3762 -20.3762 3.0550 3.0550 9.7794 9.7794 12.4510 12.4510 12.4528 12.4528 18.9464 18.9464 18.9500 18.9500 19.7341 19.7341 23.2648 23.2648 23.2703 23.2703 k = 0.4470 0.2581 0.1825 ( 667 PWs) bands (ev): -46.9117 -46.9117 -21.4004 -21.4004 -20.6155 -20.6155 -20.3766 -20.3766 3.0868 3.0868 9.7308 9.7308 12.4339 12.4339 12.4357 12.4357 18.9661 18.9661 18.9699 18.9699 19.7704 19.7704 23.2995 23.2995 23.3051 23.3051 k = 0.4545 0.2624 0.1856 ( 655 PWs) bands (ev): -46.9111 -46.9111 -21.4025 -21.4025 -20.6172 -20.6172 -20.3770 -20.3770 3.1147 3.1147 9.6881 9.6881 12.4190 12.4190 12.4208 12.4208 18.9834 18.9834 18.9873 18.9873 19.8027 19.8027 23.3298 23.3298 23.3355 23.3355 k = 0.4621 0.2668 0.1887 ( 652 PWs) bands (ev): -46.9107 -46.9107 -21.4042 -21.4042 -20.6186 -20.6186 -20.3773 -20.3773 3.1387 3.1387 9.6518 9.6518 12.4065 12.4065 12.4083 12.4083 18.9981 18.9981 19.0021 19.0021 19.8307 19.8307 23.3555 23.3555 23.3613 23.3613 k = 0.4697 0.2712 0.1918 ( 652 PWs) bands (ev): -46.9103 -46.9103 -21.4057 -21.4057 -20.6197 -20.6197 -20.3775 -20.3775 3.1586 3.1586 9.6218 9.6218 12.3962 12.3962 12.3980 12.3980 19.0102 19.0102 19.0143 19.0143 19.8542 19.8542 23.3767 23.3767 23.3824 23.3824 k = 0.4773 0.2756 0.1948 ( 652 PWs) bands (ev): -46.9100 -46.9100 -21.4068 -21.4068 -20.6206 -20.6206 -20.3777 -20.3777 3.1742 3.1742 9.5983 9.5983 12.3882 12.3882 12.3900 12.3900 19.0197 19.0197 19.0238 19.0238 19.8727 19.8727 23.3932 23.3932 23.3990 23.3990 k = 0.4848 0.2799 0.1979 ( 652 PWs) bands (ev): -46.9098 -46.9098 -21.4077 -21.4077 -20.6212 -20.6212 -20.3778 -20.3778 3.1854 3.1854 9.5814 9.5814 12.3824 12.3824 12.3843 12.3843 19.0265 19.0265 19.0306 19.0306 19.8862 19.8862 23.4050 23.4050 23.4108 23.4108 k = 0.4924 0.2843 0.2010 ( 652 PWs) bands (ev): -46.9097 -46.9097 -21.4082 -21.4082 -20.6216 -20.6216 -20.3779 -20.3779 3.1922 3.1922 9.5713 9.5713 12.3790 12.3790 12.3809 12.3809 19.0306 19.0306 19.0347 19.0347 19.8943 19.8943 23.4121 23.4121 23.4180 23.4180 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -46.9097 -46.9097 -21.4083 -21.4083 -20.6217 -20.6217 -20.3779 -20.3779 3.1945 3.1945 9.5679 9.5679 12.3779 12.3779 12.3797 12.3797 19.0319 19.0319 19.0361 19.0361 19.8971 19.8971 23.4145 23.4145 23.4203 23.4203 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -46.9097 -46.9097 -21.4083 -21.4083 -20.6217 -20.6217 -20.3779 -20.3779 3.1945 3.1945 9.5679 9.5679 12.3779 12.3779 12.3797 12.3797 19.0319 19.0319 19.0361 19.0361 19.8971 19.8971 23.4145 23.4145 23.4203 23.4203 k = 0.5027 0.2810 0.2085 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4083 -21.4083 -20.6217 -20.6217 -20.3780 -20.3780 3.1941 3.1941 9.5694 9.5694 12.3781 12.3781 12.3801 12.3801 19.0312 19.0312 19.0355 19.0355 19.8964 19.8964 23.4104 23.4104 23.4175 23.4175 k = 0.5053 0.2733 0.2128 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4082 -21.4082 -20.6218 -20.6218 -20.3784 -20.3784 3.1929 3.1929 9.5738 9.5738 12.3783 12.3783 12.3816 12.3816 19.0282 19.0282 19.0347 19.0347 19.8945 19.8945 23.3953 23.3953 23.4122 23.4122 k = 0.5080 0.2656 0.2172 ( 652 PWs) bands (ev): -46.9095 -46.9095 -21.4082 -21.4082 -20.6220 -20.6220 -20.3791 -20.3791 3.1909 3.1909 9.5812 9.5812 12.3781 12.3781 12.3846 12.3846 19.0223 19.0223 19.0342 19.0342 19.8912 19.8912 23.3699 23.3699 23.4048 23.4048 k = 0.5106 0.2580 0.2215 ( 658 PWs) bands (ev): -46.9094 -46.9094 -21.4080 -21.4080 -20.6222 -20.6222 -20.3800 -20.3800 3.1882 3.1882 9.5914 9.5914 12.3777 12.3777 12.3889 12.3889 19.0137 19.0137 19.0340 19.0340 19.8868 19.8868 23.3358 23.3358 23.3947 23.3947 k = 0.5133 0.2503 0.2258 ( 662 PWs) bands (ev): -46.9092 -46.9092 -21.4079 -21.4079 -20.6225 -20.6225 -20.3812 -20.3812 3.1847 3.1847 9.6046 9.6046 12.3771 12.3771 12.3945 12.3945 19.0027 19.0027 19.0338 19.0338 19.8811 19.8811 23.2946 23.2946 23.3819 23.3819 k = 0.5160 0.2426 0.2302 ( 664 PWs) bands (ev): -46.9090 -46.9090 -21.4077 -21.4077 -20.6228 -20.6228 -20.3827 -20.3827 3.1805 3.1805 9.6206 9.6206 12.3764 12.3764 12.4014 12.4014 18.9893 18.9893 19.0336 19.0336 19.8743 19.8743 23.2475 23.2475 23.3663 23.3663 k = 0.5186 0.2349 0.2345 ( 664 PWs) bands (ev): -46.9087 -46.9087 -21.4075 -21.4075 -20.6232 -20.6232 -20.3844 -20.3844 3.1755 3.1755 9.6396 9.6396 12.3755 12.3755 12.4095 12.4095 18.9738 18.9738 19.0335 19.0335 19.8664 19.8664 23.1958 23.1958 23.3481 23.3481 k = 0.5213 0.2273 0.2389 ( 663 PWs) bands (ev): -46.9085 -46.9085 -21.4072 -21.4072 -20.6236 -20.6236 -20.3863 -20.3863 3.1698 3.1698 9.6613 9.6613 12.3744 12.3744 12.4187 12.4187 18.9561 18.9561 19.0334 19.0334 19.8576 19.8576 23.1402 23.1402 23.3272 23.3272 k = 0.5239 0.2196 0.2432 ( 663 PWs) bands (ev): -46.9081 -46.9081 -21.4070 -21.4070 -20.6241 -20.6241 -20.3885 -20.3885 3.1634 3.1634 9.6858 9.6858 12.3730 12.3730 12.4292 12.4292 18.9365 18.9365 19.0334 19.0334 19.8478 19.8478 23.0815 23.0815 23.3037 23.3037 k = 0.5266 0.2119 0.2476 ( 663 PWs) bands (ev): -46.9078 -46.9078 -21.4067 -21.4067 -20.6246 -20.6246 -20.3909 -20.3909 3.1564 3.1564 9.7131 9.7131 12.3715 12.3715 12.4409 12.4409 18.9151 18.9151 19.0334 19.0334 19.8373 19.8373 23.0203 23.0203 23.2778 23.2778 k = 0.5293 0.2042 0.2519 ( 663 PWs) bands (ev): -46.9074 -46.9074 -21.4064 -21.4064 -20.6252 -20.6252 -20.3935 -20.3935 3.1487 3.1487 9.7431 9.7431 12.3696 12.3696 12.4537 12.4537 18.8918 18.8918 19.0335 19.0335 19.8261 19.8261 22.9569 22.9569 23.2494 23.2494 k = 0.5319 0.1965 0.2562 ( 663 PWs) bands (ev): -46.9070 -46.9070 -21.4060 -21.4060 -20.6258 -20.6258 -20.3963 -20.3963 3.1403 3.1403 9.7758 9.7758 12.3675 12.3675 12.4676 12.4676 18.8670 18.8670 19.0338 19.0338 19.8144 19.8144 22.8917 22.8917 23.2186 23.2186 k = 0.5346 0.1889 0.2606 ( 667 PWs) bands (ev): -46.9065 -46.9065 -21.4057 -21.4057 -20.6265 -20.6265 -20.3993 -20.3993 3.1314 3.1314 9.8110 9.8110 12.3650 12.3650 12.4827 12.4827 18.8405 18.8405 19.0342 19.0342 19.8022 19.8022 22.8250 22.8250 23.1855 23.1855 k = 0.5372 0.1812 0.2649 ( 670 PWs) bands (ev): -46.9061 -46.9061 -21.4054 -21.4054 -20.6272 -20.6272 -20.4024 -20.4024 3.1219 3.1219 9.8489 9.8489 12.3622 12.3622 12.4989 12.4989 18.8127 18.8127 19.0347 19.0347 19.7898 19.7898 22.7570 22.7570 23.1503 23.1503 k = 0.5399 0.1735 0.2693 ( 668 PWs) bands (ev): -46.9056 -46.9056 -21.4051 -21.4051 -20.6279 -20.6279 -20.4058 -20.4058 3.1119 3.1119 9.8892 9.8892 12.3590 12.3590 12.5161 12.5161 18.7834 18.7834 19.0354 19.0354 19.7772 19.7772 22.6879 22.6879 23.1129 23.1129 k = 0.5426 0.1658 0.2736 ( 667 PWs) bands (ev): -46.9050 -46.9050 -21.4047 -21.4047 -20.6287 -20.6287 -20.4093 -20.4093 3.1013 3.1013 9.9319 9.9319 12.3554 12.3554 12.5343 12.5343 18.7529 18.7529 19.0364 19.0364 19.7647 19.7647 22.6177 22.6177 23.0736 23.0736 k = 0.5452 0.1582 0.2780 ( 669 PWs) bands (ev): -46.9045 -46.9045 -21.4044 -21.4044 -20.6294 -20.6294 -20.4129 -20.4129 3.0903 3.0903 9.9769 9.9769 12.3514 12.3514 12.5535 12.5535 18.7210 18.7210 19.0376 19.0376 19.7523 19.7523 22.5468 22.5468 23.0322 23.0322 k = 0.5479 0.1505 0.2823 ( 669 PWs) bands (ev): -46.9039 -46.9039 -21.4041 -21.4041 -20.6302 -20.6302 -20.4167 -20.4167 3.0788 3.0788 10.0243 10.0243 12.3469 12.3469 12.5737 12.5737 18.6880 18.6880 19.0391 19.0391 19.7403 19.7403 22.4752 22.4752 22.9891 22.9891 k = 0.5505 0.1428 0.2866 ( 669 PWs) bands (ev): -46.9033 -46.9033 -21.4038 -21.4038 -20.6310 -20.6310 -20.4205 -20.4205 3.0670 3.0670 10.0738 10.0738 12.3420 12.3420 12.5949 12.5949 18.6538 18.6538 19.0409 19.0409 19.7287 19.7287 22.4032 22.4032 22.9441 22.9441 k = 0.5532 0.1351 0.2910 ( 671 PWs) bands (ev): -46.9027 -46.9027 -21.4036 -21.4036 -20.6318 -20.6318 -20.4245 -20.4245 3.0547 3.0547 10.1255 10.1255 12.3365 12.3365 12.6170 12.6170 18.6183 18.6183 19.0431 19.0431 19.7178 19.7178 22.3308 22.3308 22.8975 22.8975 k = 0.5559 0.1274 0.2953 ( 671 PWs) bands (ev): -46.9021 -46.9021 -21.4033 -21.4033 -20.6326 -20.6326 -20.4285 -20.4285 3.0422 3.0422 10.1792 10.1792 12.3306 12.3306 12.6399 12.6399 18.5817 18.5817 19.0456 19.0456 19.7077 19.7077 22.2582 22.2582 22.8493 22.8493 k = 0.5585 0.1198 0.2997 ( 671 PWs) bands (ev): -46.9014 -46.9014 -21.4031 -21.4031 -20.6334 -20.6334 -20.4326 -20.4326 3.0293 3.0293 10.2348 10.2348 12.3241 12.3241 12.6637 12.6637 18.5439 18.5439 19.0485 19.0485 19.6986 19.6986 22.1856 22.1856 22.7995 22.7995 k = 0.5612 0.1121 0.3040 ( 673 PWs) bands (ev): -46.9008 -46.9008 -21.4030 -21.4030 -20.6342 -20.6342 -20.4367 -20.4367 3.0162 3.0162 10.2923 10.2923 12.3170 12.3170 12.6883 12.6883 18.5049 18.5049 19.0519 19.0519 19.6905 19.6905 22.1132 22.1132 22.7483 22.7483 k = 0.5638 0.1044 0.3084 ( 673 PWs) bands (ev): -46.9001 -46.9001 -21.4028 -21.4028 -20.6350 -20.6350 -20.4408 -20.4408 3.0028 3.0028 10.3515 10.3515 12.3093 12.3093 12.7136 12.7136 18.4647 18.4647 19.0557 19.0557 19.6835 19.6835 22.0412 22.0412 22.6957 22.6957 k = 0.5665 0.0967 0.3127 ( 672 PWs) bands (ev): -46.8995 -46.8995 -21.4027 -21.4027 -20.6358 -20.6358 -20.4450 -20.4450 2.9892 2.9892 10.4123 10.4123 12.3011 12.3011 12.7397 12.7397 18.4233 18.4233 19.0599 19.0599 19.6778 19.6778 21.9698 21.9698 22.6418 22.6418 k = 0.5691 0.0891 0.3170 ( 676 PWs) bands (ev): -46.8988 -46.8988 -21.4027 -21.4027 -20.6366 -20.6366 -20.4491 -20.4491 2.9754 2.9754 10.4747 10.4747 12.2922 12.2922 12.7664 12.7664 18.3806 18.3806 19.0647 19.0647 19.6734 19.6734 21.8993 21.8993 22.5867 22.5867 k = 0.5718 0.0814 0.3214 ( 675 PWs) bands (ev): -46.8981 -46.8981 -21.4027 -21.4027 -20.6374 -20.6374 -20.4532 -20.4532 2.9616 2.9616 10.5386 10.5386 12.2827 12.2827 12.7938 12.7938 18.3367 18.3367 19.0700 19.0700 19.6704 19.6704 21.8297 21.8297 22.5304 22.5304 k = 0.5745 0.0737 0.3257 ( 677 PWs) bands (ev): -46.8975 -46.8975 -21.4028 -21.4028 -20.6381 -20.6381 -20.4573 -20.4573 2.9476 2.9476 10.6037 10.6037 12.2726 12.2726 12.8219 12.8219 18.2916 18.2916 19.0759 19.0759 19.6688 19.6688 21.7614 21.7614 22.4730 22.4730 k = 0.5771 0.0660 0.3301 ( 679 PWs) bands (ev): -46.8968 -46.8968 -21.4029 -21.4029 -20.6388 -20.6388 -20.4613 -20.4613 2.9335 2.9335 10.6701 10.6701 12.2618 12.2618 12.8505 12.8505 18.2453 18.2453 19.0823 19.0823 19.6685 19.6685 21.6947 21.6947 22.4145 22.4145 k = 0.5798 0.0583 0.3344 ( 675 PWs) bands (ev): -46.8961 -46.8961 -21.4030 -21.4030 -20.6395 -20.6395 -20.4652 -20.4652 2.9194 2.9194 10.7376 10.7376 12.2504 12.2504 12.8796 12.8796 18.1978 18.1978 19.0893 19.0893 19.6696 19.6696 21.6298 21.6298 22.3551 22.3551 k = 0.5824 0.0507 0.3388 ( 675 PWs) bands (ev): -46.8955 -46.8955 -21.4032 -21.4032 -20.6401 -20.6401 -20.4690 -20.4690 2.9052 2.9052 10.8060 10.8060 12.2383 12.2383 12.9093 12.9093 18.1492 18.1492 19.0969 19.0969 19.6719 19.6719 21.5669 21.5669 22.2947 22.2947 k = 0.5851 0.0430 0.3431 ( 675 PWs) bands (ev): -46.8948 -46.8948 -21.4034 -21.4034 -20.6407 -20.6407 -20.4728 -20.4728 2.8911 2.8911 10.8754 10.8754 12.2256 12.2256 12.9394 12.9394 18.0995 18.0995 19.1051 19.1051 19.6754 19.6754 21.5065 21.5065 22.2335 22.2335 k = 0.5878 0.0353 0.3474 ( 676 PWs) bands (ev): -46.8942 -46.8942 -21.4037 -21.4037 -20.6413 -20.6413 -20.4763 -20.4763 2.8769 2.8769 10.9455 10.9455 12.2122 12.2122 12.9700 12.9700 18.0487 18.0487 19.1138 19.1138 19.6798 19.6798 21.4486 21.4486 22.1715 22.1715 k = 0.5904 0.0276 0.3518 ( 677 PWs) bands (ev): -46.8936 -46.8936 -21.4041 -21.4041 -20.6419 -20.6419 -20.4798 -20.4798 2.8629 2.8629 11.0162 11.0162 12.1981 12.1981 13.0009 13.0009 17.9970 17.9970 19.1232 19.1232 19.6851 19.6851 21.3937 21.3937 22.1086 22.1086 k = 0.5931 0.0200 0.3561 ( 677 PWs) bands (ev): -46.8930 -46.8930 -21.4045 -21.4045 -20.6424 -20.6424 -20.4831 -20.4831 2.8489 2.8489 11.0875 11.0875 12.1834 12.1834 13.0322 13.0322 17.9444 17.9444 19.1332 19.1332 19.6910 19.6910 21.3421 21.3421 22.0451 22.0451 k = 0.5957 0.0123 0.3605 ( 675 PWs) bands (ev): -46.8925 -46.8925 -21.4049 -21.4049 -20.6428 -20.6428 -20.4862 -20.4862 2.8349 2.8349 11.1591 11.1591 12.1680 12.1680 13.0639 13.0639 17.8910 17.8910 19.1438 19.1438 19.6974 19.6974 21.2941 21.2941 21.9809 21.9809 k = 0.5984 0.0046 0.3648 ( 675 PWs) bands (ev): -46.8919 -46.8919 -21.4053 -21.4053 -20.6433 -20.6433 -20.4891 -20.4891 2.8211 2.8211 11.2311 11.2311 12.1519 12.1519 13.0958 13.0958 17.8368 17.8368 19.1549 19.1549 19.7040 19.7040 21.2500 21.2500 21.9161 21.9161 k = 0.6011-0.0031 0.3692 ( 675 PWs) bands (ev): -46.8914 -46.8914 -21.4058 -21.4058 -20.6437 -20.6437 -20.4919 -20.4919 2.8074 2.8074 11.3032 11.3032 12.1351 12.1351 13.1280 13.1280 17.7820 17.7820 19.1667 19.1667 19.7105 19.7105 21.2100 21.2100 21.8508 21.8508 k = 0.6037-0.0107 0.3735 ( 677 PWs) bands (ev): -46.8909 -46.8909 -21.4063 -21.4063 -20.6440 -20.6440 -20.4944 -20.4944 2.7938 2.7938 11.3755 11.3755 12.1175 12.1175 13.1604 13.1604 17.7267 17.7267 19.1789 19.1789 19.7168 19.7168 21.1745 21.1745 21.7849 21.7849 k = 0.6064-0.0184 0.3778 ( 673 PWs) bands (ev): -46.8904 -46.8904 -21.4068 -21.4068 -20.6444 -20.6444 -20.4967 -20.4967 2.7803 2.7803 11.4477 11.4477 12.0994 12.0994 13.1931 13.1931 17.6709 17.6709 19.1917 19.1917 19.7226 19.7226 21.1437 21.1437 21.7185 21.7185 k = 0.6090-0.0261 0.3822 ( 672 PWs) bands (ev): -46.8900 -46.8900 -21.4073 -21.4073 -20.6446 -20.6446 -20.4989 -20.4989 2.7670 2.7670 11.5198 11.5198 12.0805 12.0805 13.2259 13.2259 17.6148 17.6148 19.2049 19.2049 19.7277 19.7277 21.1178 21.1178 21.6517 21.6517 k = 0.6117-0.0338 0.3865 ( 674 PWs) bands (ev): -46.8896 -46.8896 -21.4078 -21.4078 -20.6449 -20.6449 -20.5007 -20.5007 2.7538 2.7538 11.5916 11.5916 12.0609 12.0609 13.2588 13.2588 17.5583 17.5583 19.2185 19.2185 19.7319 19.7319 21.0970 21.0970 21.5846 21.5846 k = 0.6144-0.0415 0.3909 ( 674 PWs) bands (ev): -46.8893 -46.8893 -21.4084 -21.4084 -20.6451 -20.6451 -20.5024 -20.5024 2.7408 2.7408 11.6632 11.6632 12.0406 12.0406 13.2919 13.2919 17.5017 17.5017 19.2325 19.2325 19.7352 19.7352 21.0813 21.0813 21.5172 21.5172 k = 0.6170-0.0491 0.3952 ( 672 PWs) bands (ev): -46.8889 -46.8889 -21.4089 -21.4089 -20.6452 -20.6452 -20.5038 -20.5038 2.7278 2.7278 11.7343 11.7343 12.0197 12.0197 13.3251 13.3251 17.4451 17.4451 19.2469 19.2469 19.7374 19.7374 21.0708 21.0708 21.4495 21.4495 k = 0.6197-0.0568 0.3996 ( 672 PWs) bands (ev): -46.8887 -46.8887 -21.4093 -21.4093 -20.6453 -20.6453 -20.5050 -20.5050 2.7151 2.7151 11.8049 11.8049 11.9983 11.9983 13.3584 13.3584 17.3884 17.3884 19.2615 19.2615 19.7386 19.7386 21.0653 21.0653 21.3816 21.3816 k = 0.6223-0.0645 0.4039 ( 670 PWs) bands (ev): -46.8884 -46.8884 -21.4098 -21.4098 -20.6453 -20.6453 -20.5060 -20.5060 2.7024 2.7024 11.8745 11.8745 11.9767 11.9767 13.3917 13.3917 17.3318 17.3318 19.2763 19.2763 19.7388 19.7388 21.0648 21.0648 21.3136 21.3136 k = 0.6250-0.0722 0.4082 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.6250-0.0722 0.4082 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.6204-0.0695 0.4158 ( 672 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5068 -20.5068 2.6900 2.6900 11.9358 11.9358 11.9632 11.9632 13.4226 13.4226 17.2785 17.2785 19.2904 19.2904 19.7377 19.7377 21.0653 21.0653 21.2477 21.2477 k = 0.6157-0.0668 0.4234 ( 674 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6451 -20.6451 -20.5072 -20.5072 2.6904 2.6904 11.9376 11.9376 11.9647 11.9647 13.4153 13.4153 17.2878 17.2878 19.2879 19.2879 19.7366 19.7366 21.0546 21.0546 21.2538 21.2538 k = 0.6111-0.0642 0.4309 ( 674 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6448 -20.6448 -20.5077 -20.5077 2.6911 2.6911 11.9405 11.9405 11.9673 11.9673 13.4031 13.4031 17.3031 17.3031 19.2837 19.2837 19.7348 19.7348 21.0385 21.0385 21.2625 21.2625 k = 0.6065-0.0615 0.4385 ( 673 PWs) bands (ev): -46.8882 -46.8882 -21.4101 -21.4101 -20.6445 -20.6445 -20.5084 -20.5084 2.6921 2.6921 11.9444 11.9444 11.9709 11.9709 13.3864 13.3864 17.3243 17.3243 19.2777 19.2777 19.7323 19.7323 21.0182 21.0182 21.2726 21.2726 k = 0.6019-0.0588 0.4460 ( 673 PWs) bands (ev): -46.8881 -46.8881 -21.4101 -21.4101 -20.6440 -20.6440 -20.5093 -20.5093 2.6933 2.6933 11.9493 11.9493 11.9756 11.9756 13.3651 13.3651 17.3511 17.3511 19.2700 19.2700 19.7292 19.7292 20.9950 20.9950 21.2830 21.2830 k = 0.5972-0.0561 0.4536 ( 674 PWs) bands (ev): -46.8881 -46.8881 -21.4100 -21.4100 -20.6435 -20.6435 -20.5104 -20.5104 2.6948 2.6948 11.9551 11.9551 11.9817 11.9817 13.3398 13.3398 17.3832 17.3832 19.2605 19.2605 19.7256 19.7256 20.9695 20.9695 21.2930 21.2930 k = 0.5926-0.0535 0.4612 ( 674 PWs) bands (ev): -46.8880 -46.8880 -21.4100 -21.4100 -20.6428 -20.6428 -20.5117 -20.5117 2.6965 2.6965 11.9616 11.9616 11.9890 11.9890 13.3105 13.3105 17.4202 17.4202 19.2491 19.2491 19.7215 19.7215 20.9425 20.9425 21.3023 21.3023 k = 0.5880-0.0508 0.4687 ( 674 PWs) bands (ev): -46.8879 -46.8879 -21.4099 -21.4099 -20.6421 -20.6421 -20.5132 -20.5132 2.6985 2.6985 11.9687 11.9687 11.9978 11.9978 13.2777 13.2777 17.4619 17.4619 19.2358 19.2358 19.7171 19.7171 20.9145 20.9145 21.3107 21.3107 k = 0.5833-0.0481 0.4763 ( 674 PWs) bands (ev): -46.8878 -46.8878 -21.4098 -21.4098 -20.6413 -20.6413 -20.5148 -20.5148 2.7006 2.7006 11.9765 11.9765 12.0080 12.0080 13.2416 13.2416 17.5077 17.5077 19.2204 19.2204 19.7124 19.7124 20.8859 20.8859 21.3179 21.3179 k = 0.5787-0.0454 0.4838 ( 670 PWs) bands (ev): -46.8877 -46.8877 -21.4098 -21.4098 -20.6404 -20.6404 -20.5165 -20.5165 2.7029 2.7029 11.9848 11.9848 12.0197 12.0197 13.2027 13.2027 17.5573 17.5573 19.2030 19.2030 19.7075 19.7075 20.8570 20.8570 21.3240 21.3240 k = 0.5741-0.0428 0.4914 ( 670 PWs) bands (ev): -46.8876 -46.8876 -21.4097 -21.4097 -20.6394 -20.6394 -20.5184 -20.5184 2.7053 2.7053 11.9936 11.9936 12.0327 12.0327 13.1613 13.1613 17.6101 17.6101 19.1835 19.1835 19.7025 19.7025 20.8282 20.8282 21.3287 21.3287 k = 0.5694-0.0401 0.4990 ( 672 PWs) bands (ev): -46.8875 -46.8875 -21.4097 -21.4097 -20.6384 -20.6384 -20.5204 -20.5204 2.7079 2.7079 12.0031 12.0031 12.0469 12.0469 13.1176 13.1176 17.6658 17.6658 19.1618 19.1618 19.6974 19.6974 20.7999 20.7999 21.3323 21.3323 k = 0.5648-0.0374 0.5065 ( 672 PWs) bands (ev): -46.8874 -46.8874 -21.4096 -21.4096 -20.6374 -20.6374 -20.5224 -20.5224 2.7106 2.7106 12.0132 12.0132 12.0623 12.0623 13.0720 13.0720 17.7240 17.7240 19.1379 19.1379 19.6925 19.6925 20.7723 20.7723 21.3347 21.3347 k = 0.5602-0.0347 0.5141 ( 672 PWs) bands (ev): -46.8873 -46.8873 -21.4095 -21.4095 -20.6363 -20.6363 -20.5245 -20.5245 2.7133 2.7133 12.0241 12.0241 12.0788 12.0788 13.0249 13.0249 17.7841 17.7841 19.1118 19.1118 19.6877 19.6877 20.7458 20.7458 21.3359 21.3359 k = 0.5556-0.0321 0.5217 ( 674 PWs) bands (ev): -46.8872 -46.8872 -21.4095 -21.4095 -20.6351 -20.6351 -20.5266 -20.5266 2.7160 2.7160 12.0356 12.0356 12.0962 12.0962 12.9766 12.9766 17.8457 17.8457 19.0834 19.0834 19.6830 19.6830 20.7205 20.7205 21.3360 21.3360 k = 0.5509-0.0294 0.5292 ( 678 PWs) bands (ev): -46.8871 -46.8871 -21.4094 -21.4094 -20.6340 -20.6340 -20.5287 -20.5287 2.7188 2.7188 12.0480 12.0480 12.1144 12.1144 12.9274 12.9274 17.9084 17.9084 19.0528 19.0528 19.6787 19.6787 20.6969 20.6969 21.3351 21.3351 k = 0.5463-0.0267 0.5368 ( 676 PWs) bands (ev): -46.8869 -46.8869 -21.4094 -21.4094 -20.6329 -20.6329 -20.5308 -20.5308 2.7215 2.7215 12.0610 12.0610 12.1333 12.1333 12.8776 12.8776 17.9719 17.9719 19.0199 19.0199 19.6746 19.6746 20.6751 20.6751 21.3334 21.3334 k = 0.5417-0.0241 0.5443 ( 676 PWs) bands (ev): -46.8868 -46.8868 -21.4093 -21.4093 -20.6318 -20.6318 -20.5329 -20.5329 2.7241 2.7241 12.0749 12.0749 12.1528 12.1528 12.8275 12.8275 18.0358 18.0358 18.9848 18.9848 19.6709 19.6709 20.6554 20.6554 21.3308 21.3308 k = 0.5370-0.0214 0.5519 ( 674 PWs) bands (ev): -46.8867 -46.8867 -21.4093 -21.4093 -20.6308 -20.6308 -20.5348 -20.5348 2.7267 2.7267 12.0896 12.0896 12.1726 12.1726 12.7775 12.7775 18.0997 18.0997 18.9476 18.9476 19.6676 19.6676 20.6379 20.6379 21.3277 21.3277 k = 0.5324-0.0187 0.5595 ( 674 PWs) bands (ev): -46.8866 -46.8866 -21.4093 -21.4093 -20.6298 -20.6298 -20.5367 -20.5367 2.7291 2.7291 12.1051 12.1051 12.1925 12.1925 12.7280 12.7280 18.1632 18.1632 18.9082 18.9082 19.6646 19.6646 20.6227 20.6227 21.3240 21.3240 k = 0.5278-0.0160 0.5670 ( 674 PWs) bands (ev): -46.8865 -46.8865 -21.4093 -21.4093 -20.6289 -20.6289 -20.5383 -20.5383 2.7312 2.7312 12.1215 12.1215 12.2121 12.2121 12.6796 12.6796 18.2260 18.2260 18.8667 18.8667 19.6620 19.6620 20.6100 20.6100 21.3200 21.3200 k = 0.5231-0.0134 0.5746 ( 677 PWs) bands (ev): -46.8864 -46.8864 -21.4092 -21.4092 -20.6281 -20.6281 -20.5398 -20.5398 2.7332 2.7332 12.1386 12.1386 12.2307 12.2307 12.6329 12.6329 18.2879 18.2879 18.8232 18.8232 19.6598 19.6598 20.5997 20.5997 21.3158 21.3158 k = 0.5185-0.0107 0.5821 ( 680 PWs) bands (ev): -46.8864 -46.8864 -21.4092 -21.4092 -20.6274 -20.6274 -20.5411 -20.5411 2.7349 2.7349 12.1565 12.1565 12.2474 12.2474 12.5891 12.5891 18.3487 18.3487 18.7777 18.7777 19.6580 19.6580 20.5919 20.5919 21.3118 21.3118 k = 0.5139-0.0080 0.5897 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6269 -20.6269 -20.5421 -20.5421 2.7363 2.7363 12.1752 12.1752 12.2604 12.2604 12.5501 12.5501 18.4080 18.4080 18.7303 18.7303 19.6566 19.6566 20.5863 20.5863 21.3080 21.3080 k = 0.5093-0.0053 0.5973 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6265 -20.6265 -20.5429 -20.5429 2.7373 2.7373 12.1942 12.1942 12.2674 12.2674 12.5188 12.5188 18.4657 18.4657 18.6812 18.6812 19.6557 19.6557 20.5827 20.5827 21.3050 21.3050 k = 0.5046-0.0027 0.6048 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5433 -20.5433 2.7380 2.7380 12.2125 12.2125 12.2658 12.2658 12.4988 12.4988 18.5214 18.5214 18.6306 18.6306 19.6551 19.6551 20.5809 20.5809 21.3029 21.3029 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5435 -20.5435 2.7382 2.7382 12.2233 12.2233 12.2605 12.2605 12.4922 12.4922 18.5665 18.5665 18.5872 18.5872 19.6549 19.6549 20.5804 20.5804 21.3021 21.3021 k = 0.5000-0.0000 0.6124 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6262 -20.6262 -20.5435 -20.5435 2.7382 2.7382 12.2233 12.2233 12.2605 12.2605 12.4922 12.4922 18.5665 18.5665 18.5872 18.5872 19.6549 19.6549 20.5804 20.5804 21.3021 21.3021 k = 0.5000 0.0053 0.6048 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4092 -21.4092 -20.6263 -20.6263 -20.5433 -20.5433 2.7386 2.7386 12.2172 12.2172 12.2554 12.2554 12.5011 12.5011 18.5662 18.5662 18.5869 18.5869 19.6553 19.6553 20.5827 20.5827 21.3043 21.3043 k = 0.5000 0.0107 0.5973 ( 684 PWs) bands (ev): -46.8863 -46.8863 -21.4091 -21.4091 -20.6265 -20.6265 -20.5427 -20.5427 2.7397 2.7397 12.1941 12.1941 12.2488 12.2488 12.5237 12.5237 18.5654 18.5654 18.5861 18.5861 19.6564 19.6564 20.5897 20.5897 21.3109 21.3109 k = 0.5000 0.0160 0.5897 ( 684 PWs) bands (ev): -46.8864 -46.8864 -21.4090 -21.4090 -20.6269 -20.6269 -20.5417 -20.5417 2.7416 2.7416 12.1549 12.1549 12.2464 12.2464 12.5535 12.5535 18.5639 18.5639 18.5849 18.5849 19.6582 19.6582 20.6013 20.6013 21.3219 21.3219 k = 0.5000 0.0214 0.5821 ( 680 PWs) bands (ev): -46.8866 -46.8866 -21.4089 -21.4089 -20.6274 -20.6274 -20.5404 -20.5404 2.7442 2.7442 12.1062 12.1062 12.2462 12.2462 12.5859 12.5859 18.5617 18.5617 18.5837 18.5837 19.6606 19.6606 20.6175 20.6175 21.3373 21.3373 k = 0.5000 0.0267 0.5746 ( 678 PWs) bands (ev): -46.8867 -46.8867 -21.4087 -21.4087 -20.6280 -20.6280 -20.5387 -20.5387 2.7475 2.7475 12.0519 12.0519 12.2471 12.2471 12.6183 12.6183 18.5587 18.5587 18.5828 18.5828 19.6634 19.6634 20.6380 20.6380 21.3569 21.3569 k = 0.5000 0.0321 0.5670 ( 678 PWs) bands (ev): -46.8869 -46.8869 -21.4084 -21.4084 -20.6288 -20.6288 -20.5367 -20.5367 2.7516 2.7516 11.9937 11.9937 12.2485 12.2485 12.6495 12.6495 18.5549 18.5549 18.5824 18.5824 19.6666 19.6666 20.6628 20.6628 21.3806 21.3806 k = 0.5000 0.0374 0.5595 ( 680 PWs) bands (ev): -46.8872 -46.8872 -21.4081 -21.4081 -20.6295 -20.6295 -20.5344 -20.5344 2.7564 2.7564 11.9325 11.9325 12.2504 12.2504 12.6787 12.6787 18.5503 18.5503 18.5829 18.5829 19.6699 19.6699 20.6916 20.6916 21.4084 21.4084 k = 0.5000 0.0428 0.5519 ( 676 PWs) bands (ev): -46.8875 -46.8875 -21.4078 -21.4078 -20.6304 -20.6304 -20.5318 -20.5318 2.7619 2.7619 11.8691 11.8691 12.2527 12.2527 12.7055 12.7055 18.5451 18.5451 18.5845 18.5845 19.6732 19.6732 20.7244 20.7244 21.4401 21.4401 k = 0.5000 0.0481 0.5443 ( 676 PWs) bands (ev): -46.8878 -46.8878 -21.4075 -21.4075 -20.6312 -20.6312 -20.5290 -20.5290 2.7680 2.7680 11.8037 11.8037 12.2552 12.2552 12.7296 12.7296 18.5395 18.5395 18.5871 18.5871 19.6764 19.6764 20.7608 20.7608 21.4756 21.4756 k = 0.5000 0.0535 0.5368 ( 676 PWs) bands (ev): -46.8882 -46.8882 -21.4071 -21.4071 -20.6321 -20.6321 -20.5259 -20.5259 2.7749 2.7749 11.7368 11.7368 12.2581 12.2581 12.7509 12.7509 18.5337 18.5337 18.5910 18.5910 19.6794 19.6794 20.8007 20.8007 21.5145 21.5145 k = 0.5000 0.0588 0.5292 ( 676 PWs) bands (ev): -46.8886 -46.8886 -21.4068 -21.4068 -20.6329 -20.6329 -20.5227 -20.5227 2.7823 2.7823 11.6685 11.6685 12.2612 12.2612 12.7694 12.7694 18.5281 18.5281 18.5963 18.5963 19.6820 19.6820 20.8440 20.8440 21.5568 21.5568 k = 0.5000 0.0642 0.5217 ( 676 PWs) bands (ev): -46.8890 -46.8890 -21.4064 -21.4064 -20.6337 -20.6337 -20.5192 -20.5192 2.7904 2.7904 11.5992 11.5992 12.2645 12.2645 12.7849 12.7849 18.5227 18.5227 18.6030 18.6030 19.6842 19.6842 20.8903 20.8903 21.6021 21.6021 k = 0.5000 0.0695 0.5141 ( 674 PWs) bands (ev): -46.8894 -46.8894 -21.4060 -21.4060 -20.6344 -20.6344 -20.5157 -20.5157 2.7990 2.7990 11.5290 11.5290 12.2680 12.2680 12.7975 12.7975 18.5178 18.5178 18.6112 18.6112 19.6860 19.6860 20.9394 20.9394 21.6503 21.6503 k = 0.5000 0.0748 0.5065 ( 674 PWs) bands (ev): -46.8899 -46.8899 -21.4056 -21.4056 -20.6351 -20.6351 -20.5119 -20.5119 2.8083 2.8083 11.4582 11.4582 12.2718 12.2718 12.8073 12.8073 18.5134 18.5134 18.6209 18.6209 19.6873 19.6873 20.9913 20.9913 21.7011 21.7011 k = 0.5000 0.0802 0.4990 ( 674 PWs) bands (ev): -46.8904 -46.8904 -21.4052 -21.4052 -20.6357 -20.6357 -20.5080 -20.5080 2.8180 2.8180 11.3868 11.3868 12.2756 12.2756 12.8142 12.8142 18.5099 18.5099 18.6321 18.6321 19.6881 19.6881 21.0456 21.0456 21.7542 21.7542 k = 0.5000 0.0855 0.4914 ( 674 PWs) bands (ev): -46.8910 -46.8910 -21.4048 -21.4048 -20.6362 -20.6362 -20.5041 -20.5041 2.8282 2.8282 11.3151 11.3151 12.2797 12.2797 12.8184 12.8184 18.5073 18.5073 18.6448 18.6448 19.6885 19.6885 21.1023 21.1023 21.8093 21.8093 k = 0.5000 0.0909 0.4838 ( 672 PWs) bands (ev): -46.8915 -46.8915 -21.4044 -21.4044 -20.6367 -20.6367 -20.5000 -20.5000 2.8390 2.8390 11.2432 11.2432 12.2838 12.2838 12.8200 12.8200 18.5058 18.5058 18.6589 18.6589 19.6885 19.6885 21.1610 21.1610 21.8662 21.8662 k = 0.5000 0.0962 0.4763 ( 672 PWs) bands (ev): -46.8921 -46.8921 -21.4041 -21.4041 -20.6370 -20.6370 -20.4958 -20.4958 2.8501 2.8501 11.1713 11.1713 12.2880 12.2880 12.8191 12.8191 18.5053 18.5053 18.6744 18.6744 19.6882 19.6882 21.2217 21.2217 21.9246 21.9246 k = 0.5000 0.1016 0.4687 ( 672 PWs) bands (ev): -46.8927 -46.8927 -21.4038 -21.4038 -20.6373 -20.6373 -20.4915 -20.4915 2.8616 2.8616 11.0996 11.0996 12.2923 12.2923 12.8159 12.8159 18.5062 18.5062 18.6910 18.6910 19.6877 19.6877 21.2841 21.2841 21.9843 21.9843 k = 0.5000 0.1069 0.4612 ( 674 PWs) bands (ev): -46.8933 -46.8933 -21.4035 -21.4035 -20.6374 -20.6374 -20.4872 -20.4872 2.8735 2.8735 11.0281 11.0281 12.2966 12.2966 12.8105 12.8105 18.5084 18.5084 18.7088 18.7088 19.6870 19.6870 21.3482 21.3482 22.0449 22.0449 k = 0.5000 0.1123 0.4536 ( 670 PWs) bands (ev): -46.8940 -46.8940 -21.4032 -21.4032 -20.6375 -20.6375 -20.4828 -20.4828 2.8857 2.8857 10.9571 10.9571 12.3010 12.3010 12.8031 12.8031 18.5120 18.5120 18.7275 18.7275 19.6863 19.6863 21.4137 21.4137 22.1062 22.1062 k = 0.5000 0.1176 0.4460 ( 670 PWs) bands (ev): -46.8946 -46.8946 -21.4030 -21.4030 -20.6375 -20.6375 -20.4784 -20.4784 2.8982 2.8982 10.8866 10.8866 12.3054 12.3054 12.7938 12.7938 18.5170 18.5170 18.7470 18.7470 19.6857 19.6857 21.4804 21.4804 22.1681 22.1681 k = 0.5000 0.1230 0.4385 ( 670 PWs) bands (ev): -46.8953 -46.8953 -21.4028 -21.4028 -20.6374 -20.6374 -20.4739 -20.4739 2.9110 2.9110 10.8169 10.8169 12.3097 12.3097 12.7828 12.7828 18.5235 18.5235 18.7670 18.7670 19.6853 19.6853 21.5484 21.5484 22.2301 22.2301 k = 0.5000 0.1283 0.4309 ( 670 PWs) bands (ev): -46.8959 -46.8959 -21.4027 -21.4027 -20.6371 -20.6371 -20.4694 -20.4694 2.9239 2.9239 10.7480 10.7480 12.3140 12.3140 12.7703 12.7703 18.5316 18.5316 18.7873 18.7873 19.6852 19.6852 21.6173 21.6173 22.2922 22.2922 k = 0.5000 0.1336 0.4234 ( 672 PWs) bands (ev): -46.8966 -46.8966 -21.4026 -21.4026 -20.6369 -20.6369 -20.4649 -20.4649 2.9370 2.9370 10.6800 10.6800 12.3182 12.3182 12.7565 12.7565 18.5412 18.5412 18.8078 18.8078 19.6856 19.6856 21.6871 21.6871 22.3541 22.3541 k = 0.5000 0.1390 0.4158 ( 672 PWs) bands (ev): -46.8973 -46.8973 -21.4025 -21.4025 -20.6365 -20.6365 -20.4604 -20.4604 2.9502 2.9502 10.6131 10.6131 12.3223 12.3223 12.7415 12.7415 18.5523 18.5523 18.8281 18.8281 19.6865 19.6865 21.7577 21.7577 22.4155 22.4155 k = 0.5000 0.1443 0.4082 ( 676 PWs) bands (ev): -46.8980 -46.8980 -21.4025 -21.4025 -20.6361 -20.6361 -20.4558 -20.4558 2.9634 2.9634 10.5474 10.5474 12.3264 12.3264 12.7255 12.7255 18.5649 18.5649 18.8482 18.8482 19.6881 19.6881 21.8288 21.8288 22.4764 22.4764 k = 0.5000 0.1497 0.4007 ( 676 PWs) bands (ev): -46.8987 -46.8987 -21.4025 -21.4025 -20.6356 -20.6356 -20.4513 -20.4513 2.9767 2.9767 10.4831 10.4831 12.3303 12.3303 12.7087 12.7087 18.5790 18.5790 18.8677 18.8677 19.6906 19.6906 21.9005 21.9005 22.5364 22.5364 k = 0.5000 0.1550 0.3931 ( 676 PWs) bands (ev): -46.8994 -46.8994 -21.4026 -21.4026 -20.6350 -20.6350 -20.4469 -20.4469 2.9899 2.9899 10.4201 10.4201 12.3341 12.3341 12.6912 12.6912 18.5945 18.5945 18.8865 18.8865 19.6939 19.6939 21.9725 21.9725 22.5956 22.5956 k = 0.5000 0.1604 0.3856 ( 676 PWs) bands (ev): -46.9000 -46.9000 -21.4027 -21.4027 -20.6344 -20.6344 -20.4424 -20.4424 3.0031 3.0031 10.3588 10.3588 12.3378 12.3378 12.6733 12.6733 18.6113 18.6113 18.9044 18.9044 19.6982 19.6982 22.0447 22.0447 22.6535 22.6535 k = 0.5000 0.1657 0.3780 ( 672 PWs) bands (ev): -46.9007 -46.9007 -21.4029 -21.4029 -20.6338 -20.6338 -20.4380 -20.4380 3.0162 3.0162 10.2990 10.2990 12.3414 12.3414 12.6549 12.6549 18.6294 18.6294 18.9212 18.9212 19.7035 19.7035 22.1171 22.1171 22.7103 22.7103 k = 0.5000 0.1711 0.3704 ( 672 PWs) bands (ev): -46.9014 -46.9014 -21.4031 -21.4031 -20.6331 -20.6331 -20.4337 -20.4337 3.0291 3.0291 10.2411 10.2411 12.3448 12.3448 12.6364 12.6364 18.6487 18.6487 18.9369 18.9369 19.7098 19.7098 22.1896 22.1896 22.7655 22.7655 k = 0.5000 0.1764 0.3629 ( 668 PWs) bands (ev): -46.9020 -46.9020 -21.4033 -21.4033 -20.6324 -20.6324 -20.4294 -20.4294 3.0417 3.0417 10.1850 10.1850 12.3480 12.3480 12.6178 12.6178 18.6691 18.6691 18.9512 18.9512 19.7172 19.7172 22.2619 22.2619 22.8192 22.8192 k = 0.5000 0.1818 0.3553 ( 668 PWs) bands (ev): -46.9026 -46.9026 -21.4035 -21.4035 -20.6316 -20.6316 -20.4253 -20.4253 3.0542 3.0542 10.1308 10.1308 12.3511 12.3511 12.5992 12.5992 18.6905 18.6905 18.9642 18.9642 19.7255 19.7255 22.3340 22.3340 22.8712 22.8712 k = 0.5000 0.1871 0.3478 ( 666 PWs) bands (ev): -46.9032 -46.9032 -21.4038 -21.4038 -20.6309 -20.6309 -20.4212 -20.4212 3.0664 3.0664 10.0787 10.0787 12.3540 12.3540 12.5809 12.5809 18.7126 18.7126 18.9759 18.9759 19.7348 19.7348 22.4059 22.4059 22.9214 22.9214 k = 0.5000 0.1925 0.3402 ( 666 PWs) bands (ev): -46.9038 -46.9038 -21.4041 -21.4041 -20.6301 -20.6301 -20.4172 -20.4172 3.0782 3.0782 10.0287 10.0287 12.3567 12.3567 12.5628 12.5628 18.7354 18.7354 18.9862 18.9862 19.7448 19.7448 22.4773 22.4773 22.9696 22.9696 k = 0.5000 0.1978 0.3326 ( 668 PWs) bands (ev): -46.9044 -46.9044 -21.4044 -21.4044 -20.6294 -20.6294 -20.4134 -20.4134 3.0896 3.0896 9.9809 9.9809 12.3593 12.3593 12.5451 12.5451 18.7586 18.7586 18.9951 18.9951 19.7556 19.7556 22.5482 22.5482 23.0158 23.0158 k = 0.5000 0.2031 0.3251 ( 668 PWs) bands (ev): -46.9050 -46.9050 -21.4047 -21.4047 -20.6286 -20.6286 -20.4097 -20.4097 3.1006 3.1006 9.9354 9.9354 12.3616 12.3616 12.5279 12.5279 18.7822 18.7822 19.0028 19.0028 19.7669 19.7669 22.6184 22.6184 23.0599 23.0599 k = 0.5000 0.2085 0.3175 ( 666 PWs) bands (ev): -46.9055 -46.9055 -21.4050 -21.4050 -20.6279 -20.6279 -20.4061 -20.4061 3.1112 3.1112 9.8923 9.8923 12.3639 12.3639 12.5114 12.5114 18.8059 18.8059 19.0094 19.0094 19.7786 19.7786 22.6879 22.6879 23.1017 23.1017 k = 0.5000 0.2138 0.3100 ( 666 PWs) bands (ev): -46.9060 -46.9060 -21.4054 -21.4054 -20.6272 -20.6272 -20.4027 -20.4027 3.1213 3.1213 9.8516 9.8516 12.3659 12.3659 12.4955 12.4955 18.8295 18.8295 19.0148 19.0148 19.7906 19.7906 22.7565 22.7565 23.1412 23.1412 k = 0.5000 0.2192 0.3024 ( 666 PWs) bands (ev): -46.9065 -46.9065 -21.4057 -21.4057 -20.6265 -20.6265 -20.3995 -20.3995 3.1309 3.1309 9.8134 9.8134 12.3678 12.3678 12.4804 12.4804 18.8529 18.8529 19.0193 19.0193 19.8025 19.8025 22.8241 22.8241 23.1783 23.1783 k = 0.5000 0.2245 0.2948 ( 664 PWs) bands (ev): -46.9070 -46.9070 -21.4060 -21.4060 -20.6259 -20.6259 -20.3965 -20.3965 3.1399 3.1399 9.7778 9.7778 12.3695 12.3695 12.4661 12.4661 18.8757 18.8757 19.0230 19.0230 19.8144 19.8144 22.8904 22.8904 23.2129 23.2129 k = 0.5000 0.2299 0.2873 ( 664 PWs) bands (ev): -46.9074 -46.9074 -21.4063 -21.4063 -20.6252 -20.6252 -20.3936 -20.3936 3.1483 3.1483 9.7449 9.7449 12.3710 12.3710 12.4528 12.4528 18.8978 18.8978 19.0259 19.0259 19.8260 19.8260 22.9554 22.9554 23.2450 23.2450 k = 0.5000 0.2352 0.2797 ( 664 PWs) bands (ev): -46.9078 -46.9078 -21.4066 -21.4066 -20.6247 -20.6247 -20.3910 -20.3910 3.1560 3.1560 9.7146 9.7146 12.3724 12.3724 12.4404 12.4404 18.9189 18.9189 19.0282 19.0282 19.8370 19.8370 23.0186 23.0186 23.2745 23.2745 k = 0.5000 0.2406 0.2722 ( 664 PWs) bands (ev): -46.9081 -46.9081 -21.4069 -21.4069 -20.6241 -20.6241 -20.3886 -20.3886 3.1631 3.1631 9.6870 9.6870 12.3737 12.3737 12.4290 12.4290 18.9389 18.9389 19.0300 19.0300 19.8475 19.8475 23.0798 23.0798 23.3014 23.3014 k = 0.5000 0.2459 0.2646 ( 666 PWs) bands (ev): -46.9085 -46.9085 -21.4072 -21.4072 -20.6236 -20.6236 -20.3864 -20.3864 3.1696 3.1696 9.6622 9.6622 12.3748 12.3748 12.4187 12.4187 18.9574 18.9574 19.0313 19.0313 19.8573 19.8573 23.1385 23.1385 23.3255 23.3255 k = 0.5000 0.2513 0.2570 ( 666 PWs) bands (ev): -46.9087 -46.9087 -21.4075 -21.4075 -20.6232 -20.6232 -20.3844 -20.3844 3.1753 3.1753 9.6403 9.6403 12.3757 12.3757 12.4095 12.4095 18.9744 18.9744 19.0322 19.0322 19.8662 19.8662 23.1943 23.1943 23.3469 23.3469 k = 0.5000 0.2566 0.2495 ( 664 PWs) bands (ev): -46.9090 -46.9090 -21.4077 -21.4077 -20.6228 -20.6228 -20.3827 -20.3827 3.1803 3.1803 9.6212 9.6212 12.3765 12.3765 12.4015 12.4015 18.9895 18.9895 19.0329 19.0329 19.8741 19.8741 23.2463 23.2463 23.3656 23.3656 k = 0.5000 0.2619 0.2419 ( 660 PWs) bands (ev): -46.9092 -46.9092 -21.4079 -21.4079 -20.6225 -20.6225 -20.3813 -20.3813 3.1846 3.1846 9.6050 9.6050 12.3772 12.3772 12.3946 12.3946 19.0027 19.0027 19.0334 19.0334 19.8809 19.8809 23.2936 23.2936 23.3814 23.3814 k = 0.5000 0.2673 0.2344 ( 654 PWs) bands (ev): -46.9093 -46.9093 -21.4080 -21.4080 -20.6222 -20.6222 -20.3801 -20.3801 3.1881 3.1881 9.5917 9.5917 12.3777 12.3777 12.3890 12.3890 19.0137 19.0137 19.0338 19.0338 19.8867 19.8867 23.3351 23.3351 23.3944 23.3944 k = 0.5000 0.2726 0.2268 ( 652 PWs) bands (ev): -46.9095 -46.9095 -21.4082 -21.4082 -20.6220 -20.6220 -20.3791 -20.3791 3.1909 3.1909 9.5813 9.5813 12.3781 12.3781 12.3847 12.3847 19.0223 19.0223 19.0342 19.0342 19.8912 19.8912 23.3695 23.3695 23.4047 23.4047 k = 0.5000 0.2780 0.2192 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4082 -21.4082 -20.6218 -20.6218 -20.3784 -20.3784 3.1929 3.1929 9.5739 9.5739 12.3783 12.3783 12.3816 12.3816 19.0282 19.0282 19.0347 19.0347 19.8944 19.8944 23.3951 23.3951 23.4122 23.4122 k = 0.5000 0.2833 0.2117 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4083 -21.4083 -20.6217 -20.6217 -20.3780 -20.3780 3.1941 3.1941 9.5694 9.5694 12.3781 12.3781 12.3801 12.3801 19.0312 19.0312 19.0355 19.0355 19.8964 19.8964 23.4103 23.4103 23.4175 23.4175 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -46.9097 -46.9097 -21.4083 -21.4083 -20.6217 -20.6217 -20.3779 -20.3779 3.1945 3.1945 9.5679 9.5679 12.3779 12.3779 12.3797 12.3797 19.0319 19.0319 19.0361 19.0361 19.8971 19.8971 23.4145 23.4145 23.4203 23.4203 k = 0.5000 0.2887 0.2041 ( 652 PWs) bands (ev): -46.9097 -46.9097 -21.4083 -21.4083 -20.6217 -20.6217 -20.3779 -20.3779 3.1945 3.1945 9.5679 9.5679 12.3779 12.3779 12.3797 12.3797 19.0319 19.0319 19.0361 19.0361 19.8971 19.8971 23.4145 23.4145 23.4203 23.4203 k = 0.4973 0.2871 0.2128 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4083 -21.4083 -20.6217 -20.6217 -20.3780 -20.3780 3.1941 3.1941 9.5694 9.5694 12.3781 12.3781 12.3801 12.3801 19.0312 19.0312 19.0355 19.0355 19.8964 19.8964 23.4104 23.4104 23.4175 23.4175 k = 0.4947 0.2856 0.2215 ( 652 PWs) bands (ev): -46.9096 -46.9096 -21.4082 -21.4082 -20.6218 -20.6218 -20.3784 -20.3784 3.1929 3.1929 9.5738 9.5738 12.3783 12.3783 12.3816 12.3816 19.0282 19.0282 19.0347 19.0347 19.8945 19.8945 23.3953 23.3953 23.4122 23.4122 k = 0.4920 0.2841 0.2302 ( 652 PWs) bands (ev): -46.9095 -46.9095 -21.4082 -21.4082 -20.6220 -20.6220 -20.3791 -20.3791 3.1909 3.1909 9.5812 9.5812 12.3781 12.3781 12.3846 12.3846 19.0223 19.0223 19.0342 19.0342 19.8912 19.8912 23.3699 23.3699 23.4048 23.4048 k = 0.4894 0.2825 0.2389 ( 658 PWs) bands (ev): -46.9094 -46.9094 -21.4080 -21.4080 -20.6222 -20.6222 -20.3800 -20.3800 3.1882 3.1882 9.5914 9.5914 12.3777 12.3777 12.3889 12.3889 19.0137 19.0137 19.0340 19.0340 19.8868 19.8868 23.3358 23.3358 23.3947 23.3947 k = 0.4867 0.2810 0.2476 ( 662 PWs) bands (ev): -46.9092 -46.9092 -21.4079 -21.4079 -20.6225 -20.6225 -20.3812 -20.3812 3.1847 3.1847 9.6046 9.6046 12.3771 12.3771 12.3945 12.3945 19.0027 19.0027 19.0338 19.0338 19.8811 19.8811 23.2946 23.2946 23.3819 23.3819 k = 0.4840 0.2795 0.2562 ( 664 PWs) bands (ev): -46.9090 -46.9090 -21.4077 -21.4077 -20.6228 -20.6228 -20.3827 -20.3827 3.1805 3.1805 9.6206 9.6206 12.3764 12.3764 12.4014 12.4014 18.9893 18.9893 19.0336 19.0336 19.8743 19.8743 23.2475 23.2475 23.3663 23.3663 k = 0.4814 0.2779 0.2649 ( 664 PWs) bands (ev): -46.9087 -46.9087 -21.4075 -21.4075 -20.6232 -20.6232 -20.3844 -20.3844 3.1755 3.1755 9.6396 9.6396 12.3755 12.3755 12.4095 12.4095 18.9738 18.9738 19.0335 19.0335 19.8664 19.8664 23.1958 23.1958 23.3481 23.3481 k = 0.4787 0.2764 0.2736 ( 663 PWs) bands (ev): -46.9085 -46.9085 -21.4072 -21.4072 -20.6236 -20.6236 -20.3863 -20.3863 3.1698 3.1698 9.6613 9.6613 12.3744 12.3744 12.4187 12.4187 18.9561 18.9561 19.0334 19.0334 19.8576 19.8576 23.1402 23.1402 23.3272 23.3272 k = 0.4761 0.2749 0.2823 ( 663 PWs) bands (ev): -46.9081 -46.9081 -21.4070 -21.4070 -20.6241 -20.6241 -20.3885 -20.3885 3.1634 3.1634 9.6858 9.6858 12.3730 12.3730 12.4292 12.4292 18.9365 18.9365 19.0334 19.0334 19.8478 19.8478 23.0815 23.0815 23.3037 23.3037 k = 0.4734 0.2733 0.2910 ( 663 PWs) bands (ev): -46.9078 -46.9078 -21.4067 -21.4067 -20.6246 -20.6246 -20.3909 -20.3909 3.1564 3.1564 9.7131 9.7131 12.3715 12.3715 12.4409 12.4409 18.9151 18.9151 19.0334 19.0334 19.8373 19.8373 23.0203 23.0203 23.2778 23.2778 k = 0.4707 0.2718 0.2997 ( 663 PWs) bands (ev): -46.9074 -46.9074 -21.4064 -21.4064 -20.6252 -20.6252 -20.3935 -20.3935 3.1487 3.1487 9.7431 9.7431 12.3696 12.3696 12.4537 12.4537 18.8918 18.8918 19.0335 19.0335 19.8261 19.8261 22.9569 22.9569 23.2494 23.2494 k = 0.4681 0.2702 0.3084 ( 663 PWs) bands (ev): -46.9070 -46.9070 -21.4060 -21.4060 -20.6258 -20.6258 -20.3963 -20.3963 3.1403 3.1403 9.7758 9.7758 12.3675 12.3675 12.4676 12.4676 18.8670 18.8670 19.0338 19.0338 19.8144 19.8144 22.8917 22.8917 23.2186 23.2186 k = 0.4654 0.2687 0.3170 ( 667 PWs) bands (ev): -46.9065 -46.9065 -21.4057 -21.4057 -20.6265 -20.6265 -20.3993 -20.3993 3.1314 3.1314 9.8110 9.8110 12.3650 12.3650 12.4827 12.4827 18.8405 18.8405 19.0342 19.0342 19.8022 19.8022 22.8250 22.8250 23.1855 23.1855 k = 0.4628 0.2672 0.3257 ( 670 PWs) bands (ev): -46.9061 -46.9061 -21.4054 -21.4054 -20.6272 -20.6272 -20.4024 -20.4024 3.1219 3.1219 9.8489 9.8489 12.3622 12.3622 12.4989 12.4989 18.8127 18.8127 19.0347 19.0347 19.7898 19.7898 22.7570 22.7570 23.1503 23.1503 k = 0.4601 0.2656 0.3344 ( 668 PWs) bands (ev): -46.9056 -46.9056 -21.4051 -21.4051 -20.6279 -20.6279 -20.4058 -20.4058 3.1119 3.1119 9.8892 9.8892 12.3590 12.3590 12.5161 12.5161 18.7834 18.7834 19.0354 19.0354 19.7772 19.7772 22.6879 22.6879 23.1129 23.1129 k = 0.4574 0.2641 0.3431 ( 667 PWs) bands (ev): -46.9050 -46.9050 -21.4047 -21.4047 -20.6287 -20.6287 -20.4093 -20.4093 3.1013 3.1013 9.9319 9.9319 12.3554 12.3554 12.5343 12.5343 18.7529 18.7529 19.0364 19.0364 19.7647 19.7647 22.6177 22.6177 23.0736 23.0736 k = 0.4548 0.2626 0.3518 ( 669 PWs) bands (ev): -46.9045 -46.9045 -21.4044 -21.4044 -20.6294 -20.6294 -20.4129 -20.4129 3.0903 3.0903 9.9769 9.9769 12.3514 12.3514 12.5535 12.5535 18.7210 18.7210 19.0376 19.0376 19.7523 19.7523 22.5468 22.5468 23.0322 23.0322 k = 0.4521 0.2610 0.3605 ( 669 PWs) bands (ev): -46.9039 -46.9039 -21.4041 -21.4041 -20.6302 -20.6302 -20.4167 -20.4167 3.0788 3.0788 10.0243 10.0243 12.3469 12.3469 12.5737 12.5737 18.6880 18.6880 19.0391 19.0391 19.7403 19.7403 22.4752 22.4752 22.9891 22.9891 k = 0.4495 0.2595 0.3692 ( 669 PWs) bands (ev): -46.9033 -46.9033 -21.4038 -21.4038 -20.6310 -20.6310 -20.4205 -20.4205 3.0670 3.0670 10.0738 10.0738 12.3420 12.3420 12.5949 12.5949 18.6538 18.6538 19.0409 19.0409 19.7287 19.7287 22.4032 22.4032 22.9441 22.9441 k = 0.4468 0.2580 0.3778 ( 671 PWs) bands (ev): -46.9027 -46.9027 -21.4036 -21.4036 -20.6318 -20.6318 -20.4245 -20.4245 3.0547 3.0547 10.1255 10.1255 12.3365 12.3365 12.6170 12.6170 18.6183 18.6183 19.0431 19.0431 19.7178 19.7178 22.3308 22.3308 22.8975 22.8975 k = 0.4441 0.2564 0.3865 ( 671 PWs) bands (ev): -46.9021 -46.9021 -21.4033 -21.4033 -20.6326 -20.6326 -20.4285 -20.4285 3.0422 3.0422 10.1792 10.1792 12.3306 12.3306 12.6399 12.6399 18.5817 18.5817 19.0456 19.0456 19.7077 19.7077 22.2582 22.2582 22.8493 22.8493 k = 0.4415 0.2549 0.3952 ( 671 PWs) bands (ev): -46.9014 -46.9014 -21.4031 -21.4031 -20.6334 -20.6334 -20.4326 -20.4326 3.0293 3.0293 10.2348 10.2348 12.3241 12.3241 12.6637 12.6637 18.5439 18.5439 19.0485 19.0485 19.6986 19.6986 22.1856 22.1856 22.7995 22.7995 k = 0.4388 0.2534 0.4039 ( 673 PWs) bands (ev): -46.9008 -46.9008 -21.4030 -21.4030 -20.6342 -20.6342 -20.4367 -20.4367 3.0162 3.0162 10.2923 10.2923 12.3170 12.3170 12.6883 12.6883 18.5049 18.5049 19.0519 19.0519 19.6905 19.6905 22.1132 22.1132 22.7483 22.7483 k = 0.4362 0.2518 0.4126 ( 673 PWs) bands (ev): -46.9001 -46.9001 -21.4028 -21.4028 -20.6350 -20.6350 -20.4408 -20.4408 3.0028 3.0028 10.3515 10.3515 12.3093 12.3093 12.7136 12.7136 18.4647 18.4647 19.0557 19.0557 19.6835 19.6835 22.0412 22.0412 22.6957 22.6957 k = 0.4335 0.2503 0.4213 ( 672 PWs) bands (ev): -46.8995 -46.8995 -21.4027 -21.4027 -20.6358 -20.6358 -20.4450 -20.4450 2.9892 2.9892 10.4123 10.4123 12.3011 12.3011 12.7397 12.7397 18.4233 18.4233 19.0599 19.0599 19.6778 19.6778 21.9698 21.9698 22.6418 22.6418 k = 0.4309 0.2488 0.4300 ( 676 PWs) bands (ev): -46.8988 -46.8988 -21.4027 -21.4027 -20.6366 -20.6366 -20.4491 -20.4491 2.9754 2.9754 10.4747 10.4747 12.2922 12.2922 12.7664 12.7664 18.3806 18.3806 19.0647 19.0647 19.6734 19.6734 21.8993 21.8993 22.5867 22.5867 k = 0.4282 0.2472 0.4386 ( 675 PWs) bands (ev): -46.8981 -46.8981 -21.4027 -21.4027 -20.6374 -20.6374 -20.4532 -20.4532 2.9616 2.9616 10.5386 10.5386 12.2827 12.2827 12.7938 12.7938 18.3367 18.3367 19.0700 19.0700 19.6704 19.6704 21.8297 21.8297 22.5304 22.5304 k = 0.4255 0.2457 0.4473 ( 677 PWs) bands (ev): -46.8975 -46.8975 -21.4028 -21.4028 -20.6381 -20.6381 -20.4573 -20.4573 2.9476 2.9476 10.6037 10.6037 12.2726 12.2726 12.8219 12.8219 18.2916 18.2916 19.0759 19.0759 19.6688 19.6688 21.7614 21.7614 22.4730 22.4730 k = 0.4229 0.2441 0.4560 ( 679 PWs) bands (ev): -46.8968 -46.8968 -21.4029 -21.4029 -20.6388 -20.6388 -20.4613 -20.4613 2.9335 2.9335 10.6701 10.6701 12.2618 12.2618 12.8505 12.8505 18.2453 18.2453 19.0823 19.0823 19.6685 19.6685 21.6947 21.6947 22.4145 22.4145 k = 0.4202 0.2426 0.4647 ( 675 PWs) bands (ev): -46.8961 -46.8961 -21.4030 -21.4030 -20.6395 -20.6395 -20.4652 -20.4652 2.9194 2.9194 10.7376 10.7376 12.2504 12.2504 12.8796 12.8796 18.1978 18.1978 19.0893 19.0893 19.6696 19.6696 21.6298 21.6298 22.3551 22.3551 k = 0.4176 0.2411 0.4734 ( 675 PWs) bands (ev): -46.8955 -46.8955 -21.4032 -21.4032 -20.6401 -20.6401 -20.4690 -20.4690 2.9052 2.9052 10.8060 10.8060 12.2383 12.2383 12.9093 12.9093 18.1492 18.1492 19.0969 19.0969 19.6719 19.6719 21.5669 21.5669 22.2947 22.2947 k = 0.4149 0.2395 0.4821 ( 675 PWs) bands (ev): -46.8948 -46.8948 -21.4034 -21.4034 -20.6407 -20.6407 -20.4728 -20.4728 2.8911 2.8911 10.8754 10.8754 12.2256 12.2256 12.9394 12.9394 18.0995 18.0995 19.1051 19.1051 19.6754 19.6754 21.5065 21.5065 22.2335 22.2335 k = 0.4122 0.2380 0.4908 ( 676 PWs) bands (ev): -46.8942 -46.8942 -21.4037 -21.4037 -20.6413 -20.6413 -20.4763 -20.4763 2.8769 2.8769 10.9455 10.9455 12.2122 12.2122 12.9700 12.9700 18.0487 18.0487 19.1138 19.1138 19.6798 19.6798 21.4486 21.4486 22.1715 22.1715 k = 0.4096 0.2365 0.4995 ( 677 PWs) bands (ev): -46.8936 -46.8936 -21.4041 -21.4041 -20.6419 -20.6419 -20.4798 -20.4798 2.8629 2.8629 11.0162 11.0162 12.1981 12.1981 13.0009 13.0009 17.9970 17.9970 19.1232 19.1232 19.6851 19.6851 21.3937 21.3937 22.1086 22.1086 k = 0.4069 0.2349 0.5081 ( 677 PWs) bands (ev): -46.8930 -46.8930 -21.4045 -21.4045 -20.6424 -20.6424 -20.4831 -20.4831 2.8489 2.8489 11.0875 11.0875 12.1834 12.1834 13.0322 13.0322 17.9444 17.9444 19.1332 19.1332 19.6910 19.6910 21.3421 21.3421 22.0451 22.0451 k = 0.4043 0.2334 0.5168 ( 675 PWs) bands (ev): -46.8925 -46.8925 -21.4049 -21.4049 -20.6428 -20.6428 -20.4862 -20.4862 2.8349 2.8349 11.1591 11.1591 12.1680 12.1680 13.0639 13.0639 17.8910 17.8910 19.1438 19.1438 19.6974 19.6974 21.2941 21.2941 21.9809 21.9809 k = 0.4016 0.2319 0.5255 ( 675 PWs) bands (ev): -46.8919 -46.8919 -21.4053 -21.4053 -20.6433 -20.6433 -20.4891 -20.4891 2.8211 2.8211 11.2311 11.2311 12.1519 12.1519 13.0958 13.0958 17.8368 17.8368 19.1549 19.1549 19.7040 19.7040 21.2500 21.2500 21.9161 21.9161 k = 0.3989 0.2303 0.5342 ( 675 PWs) bands (ev): -46.8914 -46.8914 -21.4058 -21.4058 -20.6437 -20.6437 -20.4919 -20.4919 2.8074 2.8074 11.3032 11.3032 12.1351 12.1351 13.1280 13.1280 17.7820 17.7820 19.1667 19.1667 19.7105 19.7105 21.2100 21.2100 21.8508 21.8508 k = 0.3963 0.2288 0.5429 ( 677 PWs) bands (ev): -46.8909 -46.8909 -21.4063 -21.4063 -20.6440 -20.6440 -20.4944 -20.4944 2.7938 2.7938 11.3755 11.3755 12.1175 12.1175 13.1604 13.1604 17.7267 17.7267 19.1789 19.1789 19.7168 19.7168 21.1745 21.1745 21.7849 21.7849 k = 0.3936 0.2273 0.5516 ( 673 PWs) bands (ev): -46.8904 -46.8904 -21.4068 -21.4068 -20.6444 -20.6444 -20.4967 -20.4967 2.7803 2.7803 11.4477 11.4477 12.0994 12.0994 13.1931 13.1931 17.6709 17.6709 19.1917 19.1917 19.7226 19.7226 21.1437 21.1437 21.7185 21.7185 k = 0.3910 0.2257 0.5603 ( 672 PWs) bands (ev): -46.8900 -46.8900 -21.4073 -21.4073 -20.6446 -20.6446 -20.4989 -20.4989 2.7670 2.7670 11.5198 11.5198 12.0805 12.0805 13.2259 13.2259 17.6148 17.6148 19.2049 19.2049 19.7277 19.7277 21.1178 21.1178 21.6517 21.6517 k = 0.3883 0.2242 0.5689 ( 674 PWs) bands (ev): -46.8896 -46.8896 -21.4078 -21.4078 -20.6449 -20.6449 -20.5007 -20.5007 2.7538 2.7538 11.5916 11.5916 12.0609 12.0609 13.2588 13.2588 17.5583 17.5583 19.2185 19.2185 19.7319 19.7319 21.0970 21.0970 21.5846 21.5846 k = 0.3856 0.2226 0.5776 ( 674 PWs) bands (ev): -46.8893 -46.8893 -21.4084 -21.4084 -20.6451 -20.6451 -20.5024 -20.5024 2.7408 2.7408 11.6632 11.6632 12.0406 12.0406 13.2919 13.2919 17.5017 17.5017 19.2325 19.2325 19.7352 19.7352 21.0813 21.0813 21.5172 21.5172 k = 0.3830 0.2211 0.5863 ( 672 PWs) bands (ev): -46.8889 -46.8889 -21.4089 -21.4089 -20.6452 -20.6452 -20.5038 -20.5038 2.7278 2.7278 11.7343 11.7343 12.0197 12.0197 13.3251 13.3251 17.4451 17.4451 19.2469 19.2469 19.7374 19.7374 21.0708 21.0708 21.4495 21.4495 k = 0.3803 0.2196 0.5950 ( 672 PWs) bands (ev): -46.8887 -46.8887 -21.4093 -21.4093 -20.6453 -20.6453 -20.5050 -20.5050 2.7151 2.7151 11.8049 11.8049 11.9983 11.9983 13.3584 13.3584 17.3884 17.3884 19.2615 19.2615 19.7386 19.7386 21.0653 21.0653 21.3816 21.3816 k = 0.3777 0.2180 0.6037 ( 670 PWs) bands (ev): -46.8884 -46.8884 -21.4098 -21.4098 -20.6453 -20.6453 -20.5060 -20.5060 2.7024 2.7024 11.8745 11.8745 11.9767 11.9767 13.3917 13.3917 17.3318 17.3318 19.2763 19.2763 19.7388 19.7388 21.0648 21.0648 21.3136 21.3136 k = 0.3750 0.2165 0.6124 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.6250-0.0722 0.4082 ( 670 PWs) bands (ev): -46.8883 -46.8883 -21.4102 -21.4102 -20.6453 -20.6453 -20.5067 -20.5067 2.6899 2.6899 11.9352 11.9352 11.9627 11.9627 13.4251 13.4251 17.2754 17.2754 19.2913 19.2913 19.7381 19.7381 21.0690 21.0690 21.2455 21.2455 k = 0.6204-0.0802 0.4082 ( 678 PWs) bands (ev): -46.8880 -46.8880 -21.4108 -21.4108 -20.6452 -20.6452 -20.5077 -20.5077 2.6679 2.6679 11.9377 11.9377 12.0421 12.0421 13.4840 13.4840 17.1774 17.1774 19.3168 19.3168 19.7358 19.7358 21.0796 21.0796 21.1267 21.1267 k = 0.6157-0.0882 0.4082 ( 678 PWs) bands (ev): -46.8878 -46.8878 -21.4114 -21.4114 -20.6452 -20.6452 -20.5085 -20.5085 2.6457 2.6457 11.9256 11.9256 12.1389 12.1389 13.5443 13.5443 17.0795 17.0795 19.3415 19.3415 19.7331 19.7331 21.0076 21.0076 21.0893 21.0893 k = 0.6111-0.0962 0.4082 ( 678 PWs) bands (ev): -46.8876 -46.8876 -21.4120 -21.4120 -20.6451 -20.6451 -20.5091 -20.5091 2.6233 2.6233 11.9137 11.9137 12.2380 12.2380 13.6059 13.6059 16.9819 16.9819 19.3654 19.3654 19.7301 19.7301 20.8885 20.8885 21.0979 21.0979 k = 0.6065-0.1042 0.4082 ( 678 PWs) bands (ev): -46.8874 -46.8874 -21.4126 -21.4126 -20.6451 -20.6451 -20.5094 -20.5094 2.6008 2.6008 11.9025 11.9025 12.3389 12.3389 13.6687 13.6687 16.8846 16.8846 19.3883 19.3883 19.7266 19.7266 20.7696 20.7696 21.1054 21.1054 k = 0.6019-0.1123 0.4082 ( 678 PWs) bands (ev): -46.8872 -46.8872 -21.4132 -21.4132 -20.6451 -20.6451 -20.5096 -20.5096 2.5785 2.5785 11.8919 11.8919 12.4412 12.4412 13.7324 13.7324 16.7877 16.7877 19.4102 19.4102 19.7229 19.7229 20.6513 20.6513 21.1118 21.1118 k = 0.5972-0.1203 0.4082 ( 678 PWs) bands (ev): -46.8871 -46.8871 -21.4137 -21.4137 -20.6452 -20.6452 -20.5096 -20.5096 2.5563 2.5563 11.8819 11.8819 12.5448 12.5448 13.7969 13.7969 16.6913 16.6913 19.4313 19.4313 19.7189 19.7189 20.5339 20.5339 21.1172 21.1172 k = 0.5926-0.1283 0.4082 ( 678 PWs) bands (ev): -46.8869 -46.8869 -21.4143 -21.4143 -20.6453 -20.6453 -20.5094 -20.5094 2.5344 2.5344 11.8727 11.8727 12.6493 12.6493 13.8621 13.8621 16.5954 16.5954 19.4514 19.4514 19.7147 19.7147 20.4176 20.4176 21.1217 21.1217 k = 0.5880-0.1363 0.4082 ( 678 PWs) bands (ev): -46.8868 -46.8868 -21.4148 -21.4148 -20.6454 -20.6454 -20.5090 -20.5090 2.5130 2.5130 11.8641 11.8641 12.7547 12.7547 13.9276 13.9276 16.5000 16.5000 19.4705 19.4705 19.7103 19.7103 20.3028 20.3028 21.1252 21.1252 k = 0.5833-0.1443 0.4082 ( 674 PWs) bands (ev): -46.8867 -46.8867 -21.4153 -21.4153 -20.6456 -20.6456 -20.5085 -20.5085 2.4921 2.4921 11.8561 11.8561 12.8607 12.8607 13.9933 13.9933 16.4051 16.4051 19.4887 19.4887 19.7059 19.7059 20.1899 20.1899 21.1278 21.1278 k = 0.5787-0.1524 0.4082 ( 674 PWs) bands (ev): -46.8867 -46.8867 -21.4159 -21.4159 -20.6459 -20.6459 -20.5079 -20.5079 2.4718 2.4718 11.8487 11.8487 12.9672 12.9672 14.0590 14.0590 16.3108 16.3108 19.5059 19.5059 19.7013 19.7013 20.0793 20.0793 21.1295 21.1295 k = 0.5741-0.1604 0.4082 ( 666 PWs) bands (ev): -46.8866 -46.8866 -21.4164 -21.4164 -20.6461 -20.6461 -20.5072 -20.5072 2.4522 2.4522 11.8418 11.8418 13.0739 13.0739 14.1242 14.1242 16.2170 16.2170 19.5220 19.5220 19.6968 19.6968 19.9713 19.9713 21.1304 21.1304 k = 0.5694-0.1684 0.4082 ( 666 PWs) bands (ev): -46.8865 -46.8865 -21.4168 -21.4168 -20.6465 -20.6465 -20.5063 -20.5063 2.4333 2.4333 11.8355 11.8355 13.1807 13.1807 14.1888 14.1888 16.1236 16.1236 19.5371 19.5371 19.6919 19.6919 19.8666 19.8666 21.1307 21.1307 k = 0.5648-0.1764 0.4082 ( 666 PWs) bands (ev): -46.8865 -46.8865 -21.4173 -21.4173 -20.6468 -20.6468 -20.5054 -20.5054 2.4154 2.4154 11.8297 11.8297 13.2874 13.2874 14.2523 14.2523 16.0306 16.0306 19.5510 19.5510 19.6855 19.6855 19.7669 19.7669 21.1303 21.1303 k = 0.5602-0.1844 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4177 -21.4177 -20.6472 -20.6472 -20.5045 -20.5045 2.3983 2.3983 11.8245 11.8245 13.3940 13.3940 14.3145 14.3145 15.9380 15.9380 19.5633 19.5633 19.6553 19.6553 19.6956 19.6956 21.1294 21.1294 k = 0.5556-0.1925 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4181 -21.4181 -20.6476 -20.6476 -20.5035 -20.5035 2.3823 2.3823 11.8197 11.8197 13.5002 13.5002 14.3749 14.3749 15.8457 15.8457 19.5586 19.5586 19.5854 19.5854 19.6845 19.6845 21.1280 21.1280 k = 0.5509-0.2005 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4185 -21.4185 -20.6479 -20.6479 -20.5025 -20.5025 2.3673 2.3673 11.8153 11.8153 13.6060 13.6060 14.4332 14.4332 15.7537 15.7537 19.4772 19.4772 19.5895 19.5895 19.6799 19.6799 21.1262 21.1262 k = 0.5463-0.2085 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4189 -21.4189 -20.6483 -20.6483 -20.5015 -20.5015 2.3534 2.3534 11.8114 11.8114 13.7112 13.7112 14.4887 14.4887 15.6618 15.6618 19.3940 19.3940 19.5987 19.5987 19.6764 19.6764 21.1242 21.1242 k = 0.5417-0.2165 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4192 -21.4192 -20.6487 -20.6487 -20.5006 -20.5006 2.3407 2.3407 11.8079 11.8079 13.8156 13.8156 14.5411 14.5411 15.5700 15.5700 19.3159 19.3159 19.6072 19.6072 19.6736 19.6736 21.1220 21.1220 k = 0.5370-0.2245 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4195 -21.4195 -20.6490 -20.6490 -20.4997 -20.4997 2.3292 2.3292 11.8049 11.8049 13.9193 13.9193 14.5899 14.5899 15.4782 15.4782 19.2439 19.2439 19.6146 19.6146 19.6713 19.6713 21.1198 21.1198 k = 0.5324-0.2325 0.4082 ( 666 PWs) bands (ev): -46.8864 -46.8864 -21.4198 -21.4198 -20.6494 -20.6494 -20.4988 -20.4988 2.3190 2.3190 11.8022 11.8022 14.0221 14.0221 14.6346 14.6346 15.3864 15.3864 19.1786 19.1786 19.6208 19.6208 19.6697 19.6697 21.1175 21.1175 k = 0.5278-0.2406 0.4082 ( 670 PWs) bands (ev): -46.8864 -46.8864 -21.4201 -21.4201 -20.6497 -20.6497 -20.4981 -20.4981 2.3101 2.3101 11.7999 11.7999 14.1239 14.1239 14.6746 14.6746 15.2945 15.2945 19.1205 19.1205 19.6257 19.6257 19.6687 19.6687 21.1154 21.1154 k = 0.5231-0.2486 0.4082 ( 670 PWs) bands (ev): -46.8864 -46.8864 -21.4203 -21.4203 -20.6499 -20.6499 -20.4974 -20.4974 2.3025 2.3025 11.7980 11.7980 14.2245 14.2245 14.7094 14.7094 15.2025 15.2025 19.0704 19.0704 19.6293 19.6293 19.6684 19.6684 21.1134 21.1134 k = 0.5185-0.2566 0.4082 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4204 -21.4204 -20.6501 -20.6501 -20.4969 -20.4969 2.2962 2.2962 11.7964 11.7964 14.3238 14.3238 14.7385 14.7385 15.1105 15.1105 19.0285 19.0285 19.6319 19.6319 19.6685 19.6685 21.1117 21.1117 k = 0.5139-0.2646 0.4082 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4206 -21.4206 -20.6503 -20.6503 -20.4965 -20.4965 2.2913 2.2913 11.7952 11.7952 14.4214 14.4214 14.7614 14.7614 15.0189 15.0189 18.9955 18.9955 19.6335 19.6335 19.6689 19.6689 21.1103 21.1103 k = 0.5093-0.2726 0.4082 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4207 -21.4207 -20.6504 -20.6504 -20.4961 -20.4961 2.2878 2.2878 11.7944 11.7944 14.5162 14.5162 14.7773 14.7773 14.9292 14.9292 18.9716 18.9716 19.6345 19.6345 19.6694 19.6694 21.1092 21.1092 k = 0.5046-0.2807 0.4082 ( 672 PWs) bands (ev): -46.8864 -46.8864 -21.4207 -21.4207 -20.6505 -20.6505 -20.4959 -20.4959 2.2857 2.2857 11.7938 11.7938 14.6038 14.6038 14.7831 14.7831 14.8485 14.8485 18.9572 18.9572 19.6350 19.6350 19.6698 19.6698 21.1086 21.1086 k = 0.5000-0.2887 0.4082 ( 652 PWs) bands (ev): -46.8863 -46.8863 -21.4207 -21.4207 -20.6505 -20.6505 -20.4959 -20.4959 2.2850 2.2850 11.7937 11.7937 14.6546 14.6546 14.7705 14.7705 14.8149 14.8149 18.9524 18.9524 19.6353 19.6353 19.6701 19.6701 21.1085 21.1085 Writing output data file VN.save init_run : 0.12s CPU 0.27s WALL ( 1 calls) electrons : 33.46s CPU 34.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 33.45s CPU 34.56s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 502 calls) cegterg : 30.22s CPU 31.06s WALL ( 502 calls) Called by sum_band: Called by *egterg: h_psi : 14.48s CPU 15.46s WALL ( 5410 calls) s_psi : 0.59s CPU 0.53s WALL ( 5410 calls) g_psi : 0.02s CPU 0.02s WALL ( 4406 calls) cdiaghg : 15.04s CPU 15.30s WALL ( 4908 calls) cegterg:over : 0.99s CPU 0.96s WALL ( 4406 calls) cegterg:upda : 0.72s CPU 0.63s WALL ( 4406 calls) cegterg:last : 0.30s CPU 0.33s WALL ( 1220 calls) cdiaghg:chol : 0.80s CPU 0.76s WALL ( 4908 calls) cdiaghg:inve : 0.36s CPU 0.33s WALL ( 4908 calls) cdiaghg:para : 0.86s CPU 0.94s WALL ( 9816 calls) Called by h_psi: h_psi:vloc : 13.18s CPU 14.16s WALL ( 5410 calls) h_psi:vnl : 1.28s CPU 1.28s WALL ( 5410 calls) add_vuspsi : 0.72s CPU 0.71s WALL ( 5410 calls) General routines calbec : 0.56s CPU 0.56s WALL ( 5410 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.06s CPU 12.96s WALL ( 426208 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.08s WALL ( 1004 calls) Parallel routines fft_scatter : 7.06s CPU 7.67s WALL ( 426231 calls) PWSCF : 41.38s CPU 58.66s WALL This run was terminated on: 20:57:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=