Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:21 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: ./Na3N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 26 7 736 547 85 Max 33 27 8 742 565 90 Sum 1165 967 283 26565 19987 3143 bravais-lattice index = 14 lattice parameter (alat) = 7.2587 a.u. unit-cell volume = 270.4355 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.258712 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 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 Na 9.00 22.98980 Na( 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= 386 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0086207 -0.0049772 0.0070388), wk = 0.0025907 k( 3) = ( 0.0172414 -0.0099543 0.0140775), wk = 0.0025907 k( 4) = ( 0.0258621 -0.0149315 0.0211163), wk = 0.0025907 k( 5) = ( 0.0344828 -0.0199086 0.0281551), wk = 0.0025907 k( 6) = ( 0.0431035 -0.0248858 0.0351938), wk = 0.0025907 k( 7) = ( 0.0517241 -0.0298629 0.0422326), wk = 0.0025907 k( 8) = ( 0.0603448 -0.0348401 0.0492713), wk = 0.0025907 k( 9) = ( 0.0689655 -0.0398173 0.0563101), wk = 0.0025907 k( 10) = ( 0.0775862 -0.0447944 0.0633489), wk = 0.0025907 k( 11) = ( 0.0862069 -0.0497716 0.0703876), wk = 0.0025907 k( 12) = ( 0.0948276 -0.0547487 0.0774264), wk = 0.0025907 k( 13) = ( 0.1034483 -0.0597259 0.0844652), wk = 0.0025907 k( 14) = ( 0.1120690 -0.0647030 0.0915039), wk = 0.0025907 k( 15) = ( 0.1206897 -0.0696802 0.0985427), wk = 0.0025907 k( 16) = ( 0.1293103 -0.0746574 0.1055815), wk = 0.0025907 k( 17) = ( 0.1379310 -0.0796345 0.1126202), wk = 0.0025907 k( 18) = ( 0.1465517 -0.0846117 0.1196590), wk = 0.0025907 k( 19) = ( 0.1551724 -0.0895888 0.1266977), wk = 0.0025907 k( 20) = ( 0.1637931 -0.0945660 0.1337365), wk = 0.0025907 k( 21) = ( 0.1724138 -0.0995431 0.1407753), wk = 0.0025907 k( 22) = ( 0.1810345 -0.1045203 0.1478140), wk = 0.0025907 k( 23) = ( 0.1896552 -0.1094975 0.1548528), wk = 0.0025907 k( 24) = ( 0.1982759 -0.1144746 0.1618916), wk = 0.0025907 k( 25) = ( 0.2068966 -0.1194518 0.1689303), wk = 0.0025907 k( 26) = ( 0.2155172 -0.1244289 0.1759691), wk = 0.0025907 k( 27) = ( 0.2241379 -0.1294061 0.1830079), wk = 0.0025907 k( 28) = ( 0.2327586 -0.1343833 0.1900466), wk = 0.0025907 k( 29) = ( 0.2413793 -0.1393604 0.1970854), wk = 0.0025907 k( 30) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025907 k( 31) = ( 0.2586207 -0.1493147 0.2111629), wk = 0.0025907 k( 32) = ( 0.2672414 -0.1542919 0.2182017), wk = 0.0025907 k( 33) = ( 0.2758621 -0.1592690 0.2252404), wk = 0.0025907 k( 34) = ( 0.2844828 -0.1642462 0.2322792), wk = 0.0025907 k( 35) = ( 0.2931034 -0.1692234 0.2393180), wk = 0.0025907 k( 36) = ( 0.3017241 -0.1742005 0.2463567), wk = 0.0025907 k( 37) = ( 0.3103448 -0.1791777 0.2533955), wk = 0.0025907 k( 38) = ( 0.3189655 -0.1841548 0.2604343), wk = 0.0025907 k( 39) = ( 0.3275862 -0.1891320 0.2674730), wk = 0.0025907 k( 40) = ( 0.3362069 -0.1941091 0.2745118), wk = 0.0025907 k( 41) = ( 0.3448276 -0.1990863 0.2815505), wk = 0.0025907 k( 42) = ( 0.3534483 -0.2040635 0.2885893), wk = 0.0025907 k( 43) = ( 0.3620690 -0.2090406 0.2956281), wk = 0.0025907 k( 44) = ( 0.3706897 -0.2140178 0.3026668), wk = 0.0025907 k( 45) = ( 0.3793103 -0.2189949 0.3097056), wk = 0.0025907 k( 46) = ( 0.3879310 -0.2239721 0.3167444), wk = 0.0025907 k( 47) = ( 0.3965517 -0.2289492 0.3237831), wk = 0.0025907 k( 48) = ( 0.4051724 -0.2339264 0.3308219), wk = 0.0025907 k( 49) = ( 0.4137931 -0.2389036 0.3378607), wk = 0.0025907 k( 50) = ( 0.4224138 -0.2438807 0.3448994), wk = 0.0025907 k( 51) = ( 0.4310345 -0.2488579 0.3519382), wk = 0.0025907 k( 52) = ( 0.4396552 -0.2538350 0.3589769), wk = 0.0025907 k( 53) = ( 0.4482759 -0.2588122 0.3660157), wk = 0.0025907 k( 54) = ( 0.4568966 -0.2637893 0.3730545), wk = 0.0025907 k( 55) = ( 0.4655172 -0.2687665 0.3800932), wk = 0.0025907 k( 56) = ( 0.4741379 -0.2737437 0.3871320), wk = 0.0025907 k( 57) = ( 0.4827586 -0.2787208 0.3941708), wk = 0.0025907 k( 58) = ( 0.4913793 -0.2836980 0.4012095), wk = 0.0025907 k( 59) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 k( 61) = ( 0.5000000 -0.2787208 0.4152871), wk = 0.0025907 k( 62) = ( 0.5000000 -0.2687665 0.4223258), wk = 0.0025907 k( 63) = ( 0.5000000 -0.2588122 0.4293646), wk = 0.0025907 k( 64) = ( 0.5000000 -0.2488579 0.4364033), wk = 0.0025907 k( 65) = ( 0.5000000 -0.2389036 0.4434421), wk = 0.0025907 k( 66) = ( 0.5000000 -0.2289492 0.4504809), wk = 0.0025907 k( 67) = ( 0.5000000 -0.2189949 0.4575196), wk = 0.0025907 k( 68) = ( 0.5000000 -0.2090406 0.4645584), wk = 0.0025907 k( 69) = ( 0.5000000 -0.1990863 0.4715972), wk = 0.0025907 k( 70) = ( 0.5000000 -0.1891320 0.4786359), wk = 0.0025907 k( 71) = ( 0.5000000 -0.1791777 0.4856747), wk = 0.0025907 k( 72) = ( 0.5000000 -0.1692233 0.4927135), wk = 0.0025907 k( 73) = ( 0.5000000 -0.1592690 0.4997522), wk = 0.0025907 k( 74) = ( 0.5000000 -0.1493147 0.5067910), wk = 0.0025907 k( 75) = ( 0.5000000 -0.1393604 0.5138297), wk = 0.0025907 k( 76) = ( 0.5000000 -0.1294061 0.5208685), wk = 0.0025907 k( 77) = ( 0.5000000 -0.1194518 0.5279073), wk = 0.0025907 k( 78) = ( 0.5000000 -0.1094975 0.5349460), wk = 0.0025907 k( 79) = ( 0.5000000 -0.0995432 0.5419848), wk = 0.0025907 k( 80) = ( 0.5000000 -0.0895888 0.5490236), wk = 0.0025907 k( 81) = ( 0.5000000 -0.0796345 0.5560623), wk = 0.0025907 k( 82) = ( 0.5000000 -0.0696802 0.5631011), wk = 0.0025907 k( 83) = ( 0.5000000 -0.0597259 0.5701399), wk = 0.0025907 k( 84) = ( 0.5000000 -0.0497716 0.5771786), wk = 0.0025907 k( 85) = ( 0.5000000 -0.0398173 0.5842174), wk = 0.0025907 k( 86) = ( 0.5000000 -0.0298629 0.5912561), wk = 0.0025907 k( 87) = ( 0.5000000 -0.0199086 0.5982949), wk = 0.0025907 k( 88) = ( 0.5000000 -0.0099543 0.6053337), wk = 0.0025907 k( 89) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 90) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 91) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025907 k( 92) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025907 k( 93) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025907 k( 94) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025907 k( 95) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025907 k( 96) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025907 k( 97) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025907 k( 98) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025907 k( 99) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025907 k( 100) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025907 k( 101) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025907 k( 102) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025907 k( 103) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025907 k( 104) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025907 k( 105) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025907 k( 106) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025907 k( 107) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025907 k( 108) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025907 k( 109) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025907 k( 110) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025907 k( 111) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 112) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 113) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025907 k( 114) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025907 k( 115) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025907 k( 116) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025907 k( 117) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025907 k( 118) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025907 k( 119) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025907 k( 120) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025907 k( 121) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025907 k( 122) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025907 k( 123) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025907 k( 124) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025907 k( 125) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025907 k( 126) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025907 k( 127) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025907 k( 128) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025907 k( 129) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025907 k( 130) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025907 k( 131) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025907 k( 132) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025907 k( 133) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025907 k( 134) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025907 k( 135) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025907 k( 136) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025907 k( 137) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025907 k( 138) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025907 k( 139) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025907 k( 140) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025907 k( 141) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025907 k( 142) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025907 k( 143) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025907 k( 144) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025907 k( 145) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025907 k( 146) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025907 k( 147) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025907 k( 148) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025907 k( 149) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025907 k( 150) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025907 k( 151) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025907 k( 152) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025907 k( 153) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025907 k( 154) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025907 k( 155) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025907 k( 156) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025907 k( 157) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025907 k( 158) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025907 k( 159) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025907 k( 160) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025907 k( 161) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025907 k( 162) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025907 k( 163) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025907 k( 164) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025907 k( 165) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025907 k( 166) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025907 k( 167) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025907 k( 168) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025907 k( 169) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025907 k( 170) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025907 k( 171) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025907 k( 172) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025907 k( 173) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 176) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025907 k( 177) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025907 k( 178) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025907 k( 179) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025907 k( 180) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025907 k( 181) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025907 k( 182) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025907 k( 183) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025907 k( 184) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025907 k( 185) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025907 k( 186) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025907 k( 187) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025907 k( 188) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025907 k( 189) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025907 k( 190) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025907 k( 191) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025907 k( 192) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025907 k( 193) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025907 k( 194) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025907 k( 195) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025907 k( 196) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025907 k( 197) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025907 k( 198) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025907 k( 199) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025907 k( 200) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025907 k( 201) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025907 k( 202) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025907 k( 203) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025907 k( 204) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025907 k( 205) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025907 k( 206) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025907 k( 207) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025907 k( 208) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025907 k( 209) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025907 k( 210) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025907 k( 211) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025907 k( 212) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025907 k( 213) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025907 k( 214) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025907 k( 215) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025907 k( 216) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025907 k( 217) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025907 k( 218) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025907 k( 219) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025907 k( 220) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025907 k( 221) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025907 k( 222) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025907 k( 223) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025907 k( 224) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025907 k( 225) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025907 k( 226) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 227) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 228) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025907 k( 229) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025907 k( 230) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025907 k( 231) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025907 k( 232) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025907 k( 233) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025907 k( 234) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025907 k( 235) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025907 k( 236) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025907 k( 237) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025907 k( 238) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025907 k( 239) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025907 k( 240) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025907 k( 241) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025907 k( 242) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025907 k( 243) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025907 k( 244) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025907 k( 245) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025907 k( 246) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025907 k( 247) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025907 k( 248) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025907 k( 249) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025907 k( 250) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025907 k( 251) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025907 k( 252) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025907 k( 253) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025907 k( 254) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025907 k( 255) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025907 k( 256) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025907 k( 257) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025907 k( 258) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025907 k( 259) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025907 k( 260) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025907 k( 261) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025907 k( 262) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025907 k( 263) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 264) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 265) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025907 k( 266) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025907 k( 267) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025907 k( 268) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025907 k( 269) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025907 k( 270) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025907 k( 271) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025907 k( 272) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025907 k( 273) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025907 k( 274) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025907 k( 275) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025907 k( 276) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025907 k( 277) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025907 k( 278) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025907 k( 279) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025907 k( 280) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025907 k( 281) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025907 k( 282) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025907 k( 283) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025907 k( 284) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025907 k( 285) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 286) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025907 k( 287) = ( 0.5000000 0.0070409 0.6024152), wk = 0.0025907 k( 288) = ( 0.5000000 0.0140817 0.5924579), wk = 0.0025907 k( 289) = ( 0.5000000 0.0211226 0.5825006), wk = 0.0025907 k( 290) = ( 0.5000000 0.0281634 0.5725433), wk = 0.0025907 k( 291) = ( 0.5000000 0.0352043 0.5625861), wk = 0.0025907 k( 292) = ( 0.5000000 0.0422451 0.5526288), wk = 0.0025907 k( 293) = ( 0.5000000 0.0492860 0.5426715), wk = 0.0025907 k( 294) = ( 0.5000000 0.0563269 0.5327142), wk = 0.0025907 k( 295) = ( 0.5000000 0.0633677 0.5227570), wk = 0.0025907 k( 296) = ( 0.5000000 0.0704086 0.5127997), wk = 0.0025907 k( 297) = ( 0.5000000 0.0774494 0.5028424), wk = 0.0025907 k( 298) = ( 0.5000000 0.0844903 0.4928851), wk = 0.0025907 k( 299) = ( 0.5000000 0.0915311 0.4829279), wk = 0.0025907 k( 300) = ( 0.5000000 0.0985720 0.4729706), wk = 0.0025907 k( 301) = ( 0.5000000 0.1056128 0.4630133), wk = 0.0025907 k( 302) = ( 0.5000000 0.1126537 0.4530560), wk = 0.0025907 k( 303) = ( 0.5000000 0.1196946 0.4430987), wk = 0.0025907 k( 304) = ( 0.5000000 0.1267354 0.4331415), wk = 0.0025907 k( 305) = ( 0.5000000 0.1337763 0.4231842), wk = 0.0025907 k( 306) = ( 0.5000000 0.1408171 0.4132269), wk = 0.0025907 k( 307) = ( 0.5000000 0.1478580 0.4032697), wk = 0.0025907 k( 308) = ( 0.5000000 0.1548989 0.3933124), wk = 0.0025907 k( 309) = ( 0.5000000 0.1619397 0.3833551), wk = 0.0025907 k( 310) = ( 0.5000000 0.1689806 0.3733978), wk = 0.0025907 k( 311) = ( 0.5000000 0.1760214 0.3634406), wk = 0.0025907 k( 312) = ( 0.5000000 0.1830623 0.3534833), wk = 0.0025907 k( 313) = ( 0.5000000 0.1901031 0.3435260), wk = 0.0025907 k( 314) = ( 0.5000000 0.1971440 0.3335687), wk = 0.0025907 k( 315) = ( 0.5000000 0.2041849 0.3236114), wk = 0.0025907 k( 316) = ( 0.5000000 0.2112257 0.3136542), wk = 0.0025907 k( 317) = ( 0.5000000 0.2182666 0.3036969), wk = 0.0025907 k( 318) = ( 0.5000000 0.2253074 0.2937396), wk = 0.0025907 k( 319) = ( 0.5000000 0.2323483 0.2837824), wk = 0.0025907 k( 320) = ( 0.5000000 0.2393891 0.2738251), wk = 0.0025907 k( 321) = ( 0.5000000 0.2464300 0.2638678), wk = 0.0025907 k( 322) = ( 0.5000000 0.2534709 0.2539105), wk = 0.0025907 k( 323) = ( 0.5000000 0.2605117 0.2439532), wk = 0.0025907 k( 324) = ( 0.5000000 0.2675526 0.2339960), wk = 0.0025907 k( 325) = ( 0.5000000 0.2745934 0.2240387), wk = 0.0025907 k( 326) = ( 0.5000000 0.2816343 0.2140814), wk = 0.0025907 k( 327) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 328) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025907 k( 329) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025907 k( 330) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025907 k( 331) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025907 k( 332) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025907 k( 333) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025907 k( 334) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025907 k( 335) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025907 k( 336) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025907 k( 337) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025907 k( 338) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025907 k( 339) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025907 k( 340) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025907 k( 341) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025907 k( 342) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025907 k( 343) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025907 k( 344) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025907 k( 345) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025907 k( 346) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025907 k( 347) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025907 k( 348) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025907 k( 349) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025907 k( 350) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025907 k( 351) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025907 k( 352) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025907 k( 353) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025907 k( 354) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025907 k( 355) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025907 k( 356) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025907 k( 357) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025907 k( 358) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025907 k( 359) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025907 k( 360) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025907 k( 361) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025907 k( 362) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025907 k( 363) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025907 k( 364) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025907 k( 365) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025907 k( 366) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025907 k( 367) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025907 k( 368) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025907 k( 369) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025907 k( 370) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025907 k( 371) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025907 k( 372) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025907 k( 373) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025907 k( 374) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025907 k( 375) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025907 k( 376) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025907 k( 377) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025907 k( 378) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025907 k( 379) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025907 k( 380) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025907 k( 381) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025907 k( 382) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025907 k( 383) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025907 k( 384) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025907 k( 385) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025907 k( 386) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025907 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 2) = ( 0.0086207 -0.0000000 0.0086207), wk = 0.0025907 k( 3) = ( 0.0172414 -0.0000000 0.0172414), wk = 0.0025907 k( 4) = ( 0.0258621 -0.0000000 0.0258621), wk = 0.0025907 k( 5) = ( 0.0344828 -0.0000000 0.0344828), wk = 0.0025907 k( 6) = ( 0.0431035 -0.0000000 0.0431034), wk = 0.0025907 k( 7) = ( 0.0517241 -0.0000000 0.0517241), wk = 0.0025907 k( 8) = ( 0.0603448 0.0000000 0.0603448), wk = 0.0025907 k( 9) = ( 0.0689655 -0.0000000 0.0689655), wk = 0.0025907 k( 10) = ( 0.0775862 -0.0000000 0.0775862), wk = 0.0025907 k( 11) = ( 0.0862069 -0.0000000 0.0862069), wk = 0.0025907 k( 12) = ( 0.0948276 0.0000000 0.0948276), wk = 0.0025907 k( 13) = ( 0.1034483 -0.0000000 0.1034483), wk = 0.0025907 k( 14) = ( 0.1120690 -0.0000000 0.1120690), wk = 0.0025907 k( 15) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0025907 k( 16) = ( 0.1293103 -0.0000000 0.1293103), wk = 0.0025907 k( 17) = ( 0.1379310 -0.0000000 0.1379310), wk = 0.0025907 k( 18) = ( 0.1465517 -0.0000000 0.1465517), wk = 0.0025907 k( 19) = ( 0.1551724 -0.0000000 0.1551724), wk = 0.0025907 k( 20) = ( 0.1637931 -0.0000000 0.1637931), wk = 0.0025907 k( 21) = ( 0.1724138 -0.0000000 0.1724138), wk = 0.0025907 k( 22) = ( 0.1810345 -0.0000000 0.1810345), wk = 0.0025907 k( 23) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0025907 k( 24) = ( 0.1982759 -0.0000000 0.1982759), wk = 0.0025907 k( 25) = ( 0.2068966 -0.0000000 0.2068965), wk = 0.0025907 k( 26) = ( 0.2155172 -0.0000000 0.2155172), wk = 0.0025907 k( 27) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0025907 k( 28) = ( 0.2327586 0.0000000 0.2327586), wk = 0.0025907 k( 29) = ( 0.2413793 -0.0000000 0.2413793), wk = 0.0025907 k( 30) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025907 k( 31) = ( 0.2586207 -0.0000000 0.2586207), wk = 0.0025907 k( 32) = ( 0.2672414 -0.0000000 0.2672414), wk = 0.0025907 k( 33) = ( 0.2758621 -0.0000000 0.2758621), wk = 0.0025907 k( 34) = ( 0.2844828 -0.0000000 0.2844828), wk = 0.0025907 k( 35) = ( 0.2931034 -0.0000000 0.2931034), wk = 0.0025907 k( 36) = ( 0.3017241 -0.0000000 0.3017241), wk = 0.0025907 k( 37) = ( 0.3103448 -0.0000000 0.3103448), wk = 0.0025907 k( 38) = ( 0.3189655 -0.0000000 0.3189655), wk = 0.0025907 k( 39) = ( 0.3275862 -0.0000000 0.3275862), wk = 0.0025907 k( 40) = ( 0.3362069 -0.0000000 0.3362069), wk = 0.0025907 k( 41) = ( 0.3448276 -0.0000000 0.3448276), wk = 0.0025907 k( 42) = ( 0.3534483 0.0000000 0.3534483), wk = 0.0025907 k( 43) = ( 0.3620690 -0.0000000 0.3620690), wk = 0.0025907 k( 44) = ( 0.3706897 -0.0000000 0.3706897), wk = 0.0025907 k( 45) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0025907 k( 46) = ( 0.3879310 0.0000000 0.3879310), wk = 0.0025907 k( 47) = ( 0.3965517 -0.0000000 0.3965517), wk = 0.0025907 k( 48) = ( 0.4051724 -0.0000000 0.4051724), wk = 0.0025907 k( 49) = ( 0.4137931 -0.0000000 0.4137931), wk = 0.0025907 k( 50) = ( 0.4224138 -0.0000000 0.4224138), wk = 0.0025907 k( 51) = ( 0.4310345 -0.0000000 0.4310345), wk = 0.0025907 k( 52) = ( 0.4396552 0.0000000 0.4396552), wk = 0.0025907 k( 53) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0025907 k( 54) = ( 0.4568966 -0.0000000 0.4568965), wk = 0.0025907 k( 55) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0025907 k( 56) = ( 0.4741379 -0.0000000 0.4741379), wk = 0.0025907 k( 57) = ( 0.4827586 -0.0000000 0.4827586), wk = 0.0025907 k( 58) = ( 0.4913793 0.0000000 0.4913793), wk = 0.0025907 k( 59) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 k( 61) = ( 0.5000000 0.0086207 0.5086207), wk = 0.0025907 k( 62) = ( 0.5000000 0.0172414 0.5172414), wk = 0.0025907 k( 63) = ( 0.5000000 0.0258621 0.5258621), wk = 0.0025907 k( 64) = ( 0.5000000 0.0344828 0.5344828), wk = 0.0025907 k( 65) = ( 0.5000000 0.0431034 0.5431035), wk = 0.0025907 k( 66) = ( 0.5000000 0.0517241 0.5517241), wk = 0.0025907 k( 67) = ( 0.5000000 0.0603448 0.5603448), wk = 0.0025907 k( 68) = ( 0.5000000 0.0689655 0.5689655), wk = 0.0025907 k( 69) = ( 0.5000000 0.0775862 0.5775862), wk = 0.0025907 k( 70) = ( 0.5000000 0.0862069 0.5862069), wk = 0.0025907 k( 71) = ( 0.5000000 0.0948276 0.5948276), wk = 0.0025907 k( 72) = ( 0.5000000 0.1034483 0.6034483), wk = 0.0025907 k( 73) = ( 0.5000000 0.1120690 0.6120690), wk = 0.0025907 k( 74) = ( 0.5000000 0.1206897 0.6206897), wk = 0.0025907 k( 75) = ( 0.5000000 0.1293103 0.6293103), wk = 0.0025907 k( 76) = ( 0.5000000 0.1379310 0.6379310), wk = 0.0025907 k( 77) = ( 0.5000000 0.1465517 0.6465517), wk = 0.0025907 k( 78) = ( 0.5000000 0.1551724 0.6551724), wk = 0.0025907 k( 79) = ( 0.5000000 0.1637931 0.6637931), wk = 0.0025907 k( 80) = ( 0.5000000 0.1724138 0.6724138), wk = 0.0025907 k( 81) = ( 0.5000000 0.1810345 0.6810345), wk = 0.0025907 k( 82) = ( 0.5000000 0.1896552 0.6896552), wk = 0.0025907 k( 83) = ( 0.5000000 0.1982759 0.6982759), wk = 0.0025907 k( 84) = ( 0.5000000 0.2068966 0.7068965), wk = 0.0025907 k( 85) = ( 0.5000000 0.2155172 0.7155172), wk = 0.0025907 k( 86) = ( 0.5000000 0.2241379 0.7241379), wk = 0.0025907 k( 87) = ( 0.5000000 0.2327586 0.7327586), wk = 0.0025907 k( 88) = ( 0.5000000 0.2413793 0.7413793), wk = 0.0025907 k( 89) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 90) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 91) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025907 k( 92) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025907 k( 93) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025907 k( 94) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025907 k( 95) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025907 k( 96) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025907 k( 97) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025907 k( 98) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025907 k( 99) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025907 k( 100) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025907 k( 101) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025907 k( 102) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025907 k( 103) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025907 k( 104) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025907 k( 105) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025907 k( 106) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025907 k( 107) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025907 k( 108) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025907 k( 109) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025907 k( 110) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025907 k( 111) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 112) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 113) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025907 k( 114) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025907 k( 115) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025907 k( 116) = ( 0.3508064 0.3508064 0.7016129), wk = 0.0025907 k( 117) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025907 k( 118) = ( 0.3387097 0.3387097 0.6774193), wk = 0.0025907 k( 119) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025907 k( 120) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025907 k( 121) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025907 k( 122) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025907 k( 123) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025907 k( 124) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0025907 k( 125) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025907 k( 126) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025907 k( 127) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025907 k( 128) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025907 k( 129) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025907 k( 130) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025907 k( 131) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025907 k( 132) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025907 k( 133) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025907 k( 134) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025907 k( 135) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025907 k( 136) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025907 k( 137) = ( 0.2237903 0.2237903 0.4475806), wk = 0.0025907 k( 138) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025907 k( 139) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025907 k( 140) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025907 k( 141) = ( 0.1995968 0.1995968 0.3991936), wk = 0.0025907 k( 142) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025907 k( 143) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025907 k( 144) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025907 k( 145) = ( 0.1754032 0.1754032 0.3508064), wk = 0.0025907 k( 146) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025907 k( 147) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025907 k( 148) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025907 k( 149) = ( 0.1512097 0.1512097 0.3024193), wk = 0.0025907 k( 150) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025907 k( 151) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025907 k( 152) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025907 k( 153) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025907 k( 154) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025907 k( 155) = ( 0.1149194 0.1149193 0.2298387), wk = 0.0025907 k( 156) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025907 k( 157) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025907 k( 158) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025907 k( 159) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025907 k( 160) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025907 k( 161) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025907 k( 162) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025907 k( 163) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025907 k( 164) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025907 k( 165) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025907 k( 166) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025907 k( 167) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025907 k( 168) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025907 k( 169) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025907 k( 170) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025907 k( 171) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025907 k( 172) = ( 0.0120968 0.0120968 0.0241936), wk = 0.0025907 k( 173) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025907 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025907 k( 176) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025907 k( 177) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025907 k( 178) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025907 k( 179) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025907 k( 180) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025907 k( 181) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025907 k( 182) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0025907 k( 183) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025907 k( 184) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025907 k( 185) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025907 k( 186) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025907 k( 187) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025907 k( 188) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025907 k( 189) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025907 k( 190) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025907 k( 191) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0025907 k( 192) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025907 k( 193) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025907 k( 194) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025907 k( 195) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025907 k( 196) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0025907 k( 197) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025907 k( 198) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025907 k( 199) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025907 k( 200) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025907 k( 201) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025907 k( 202) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025907 k( 203) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025907 k( 204) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025907 k( 205) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025907 k( 206) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025907 k( 207) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025907 k( 208) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025907 k( 209) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025907 k( 210) = ( 0.3431373 0.3431373 0.3431372), wk = 0.0025907 k( 211) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025907 k( 212) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025907 k( 213) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025907 k( 214) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025907 k( 215) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025907 k( 216) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025907 k( 217) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025907 k( 218) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025907 k( 219) = ( 0.4313726 0.4313726 0.4313725), wk = 0.0025907 k( 220) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025907 k( 221) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025907 k( 222) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025907 k( 223) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025907 k( 224) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025907 k( 225) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025907 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 228) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025907 k( 229) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025907 k( 230) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025907 k( 231) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025907 k( 232) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025907 k( 233) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025907 k( 234) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025907 k( 235) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025907 k( 236) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025907 k( 237) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025907 k( 238) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025907 k( 239) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025907 k( 240) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025907 k( 241) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025907 k( 242) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025907 k( 243) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025907 k( 244) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025907 k( 245) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025907 k( 246) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025907 k( 247) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025907 k( 248) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025907 k( 249) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025907 k( 250) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025907 k( 251) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025907 k( 252) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025907 k( 253) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025907 k( 254) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025907 k( 255) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025907 k( 256) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025907 k( 257) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025907 k( 258) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025907 k( 259) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025907 k( 260) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025907 k( 261) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025907 k( 262) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025907 k( 263) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 264) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 265) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025907 k( 266) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025907 k( 267) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025907 k( 268) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025907 k( 269) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025907 k( 270) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025907 k( 271) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025907 k( 272) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0025907 k( 273) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025907 k( 274) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025907 k( 275) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025907 k( 276) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025907 k( 277) = ( 0.5476190 0.2500000 0.7023809), wk = 0.0025907 k( 278) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025907 k( 279) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025907 k( 280) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025907 k( 281) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025907 k( 282) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025907 k( 283) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025907 k( 284) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025907 k( 285) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 286) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025907 k( 287) = ( 0.5000000 0.2560976 0.7439024), wk = 0.0025907 k( 288) = ( 0.5000000 0.2621951 0.7378049), wk = 0.0025907 k( 289) = ( 0.5000000 0.2682927 0.7317073), wk = 0.0025907 k( 290) = ( 0.5000000 0.2743902 0.7256098), wk = 0.0025907 k( 291) = ( 0.5000000 0.2804878 0.7195122), wk = 0.0025907 k( 292) = ( 0.5000000 0.2865854 0.7134146), wk = 0.0025907 k( 293) = ( 0.5000000 0.2926829 0.7073171), wk = 0.0025907 k( 294) = ( 0.5000000 0.2987805 0.7012195), wk = 0.0025907 k( 295) = ( 0.5000000 0.3048781 0.6951219), wk = 0.0025907 k( 296) = ( 0.5000000 0.3109756 0.6890244), wk = 0.0025907 k( 297) = ( 0.5000000 0.3170732 0.6829268), wk = 0.0025907 k( 298) = ( 0.5000000 0.3231707 0.6768293), wk = 0.0025907 k( 299) = ( 0.5000000 0.3292683 0.6707317), wk = 0.0025907 k( 300) = ( 0.5000000 0.3353659 0.6646341), wk = 0.0025907 k( 301) = ( 0.5000000 0.3414634 0.6585366), wk = 0.0025907 k( 302) = ( 0.5000000 0.3475610 0.6524390), wk = 0.0025907 k( 303) = ( 0.5000000 0.3536585 0.6463415), wk = 0.0025907 k( 304) = ( 0.5000000 0.3597561 0.6402439), wk = 0.0025907 k( 305) = ( 0.5000000 0.3658537 0.6341463), wk = 0.0025907 k( 306) = ( 0.5000000 0.3719512 0.6280488), wk = 0.0025907 k( 307) = ( 0.5000000 0.3780488 0.6219512), wk = 0.0025907 k( 308) = ( 0.5000000 0.3841463 0.6158537), wk = 0.0025907 k( 309) = ( 0.5000000 0.3902439 0.6097561), wk = 0.0025907 k( 310) = ( 0.5000000 0.3963415 0.6036585), wk = 0.0025907 k( 311) = ( 0.5000000 0.4024390 0.5975610), wk = 0.0025907 k( 312) = ( 0.5000000 0.4085366 0.5914634), wk = 0.0025907 k( 313) = ( 0.5000000 0.4146341 0.5853658), wk = 0.0025907 k( 314) = ( 0.5000000 0.4207317 0.5792683), wk = 0.0025907 k( 315) = ( 0.5000000 0.4268293 0.5731707), wk = 0.0025907 k( 316) = ( 0.5000000 0.4329268 0.5670732), wk = 0.0025907 k( 317) = ( 0.5000000 0.4390244 0.5609756), wk = 0.0025907 k( 318) = ( 0.5000000 0.4451219 0.5548780), wk = 0.0025907 k( 319) = ( 0.5000000 0.4512195 0.5487805), wk = 0.0025907 k( 320) = ( 0.5000000 0.4573171 0.5426829), wk = 0.0025907 k( 321) = ( 0.5000000 0.4634146 0.5365854), wk = 0.0025907 k( 322) = ( 0.5000000 0.4695122 0.5304878), wk = 0.0025907 k( 323) = ( 0.5000000 0.4756098 0.5243902), wk = 0.0025907 k( 324) = ( 0.5000000 0.4817073 0.5182927), wk = 0.0025907 k( 325) = ( 0.5000000 0.4878049 0.5121951), wk = 0.0025907 k( 326) = ( 0.5000000 0.4939024 0.5060976), wk = 0.0025907 k( 327) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025907 k( 329) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025907 k( 330) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025907 k( 331) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025907 k( 332) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025907 k( 333) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025907 k( 334) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025907 k( 335) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025907 k( 336) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025907 k( 337) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025907 k( 338) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025907 k( 339) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025907 k( 340) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025907 k( 341) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025907 k( 342) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025907 k( 343) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025907 k( 344) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025907 k( 345) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025907 k( 346) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025907 k( 347) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025907 k( 348) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025907 k( 349) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025907 k( 350) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025907 k( 351) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025907 k( 352) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025907 k( 353) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025907 k( 354) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025907 k( 355) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025907 k( 356) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025907 k( 357) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025907 k( 358) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025907 k( 359) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025907 k( 360) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025907 k( 361) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025907 k( 362) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025907 k( 363) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025907 k( 364) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025907 k( 365) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025907 k( 366) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025907 k( 367) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025907 k( 368) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025907 k( 369) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025907 k( 370) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025907 k( 371) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025907 k( 372) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025907 k( 373) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025907 k( 374) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025907 k( 375) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025907 k( 376) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025907 k( 377) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025907 k( 378) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025907 k( 379) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025907 k( 380) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025907 k( 381) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025907 k( 382) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025907 k( 383) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025907 k( 384) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025907 k( 385) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025907 k( 386) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025907 Dense grid: 26565 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19987 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 148, 40) NL pseudopotentials 0.06 Mb ( 74, 56) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 737) G-vector shells 0.00 Mb ( 233) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 148, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.07 Mb ( 56, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./Na3N.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.3 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.7 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt 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Computing kpt #: 37 total cpu time spent up to now is 8.6 secs Computing kpt #: 38 total cpu time spent up to now is 8.7 secs Computing kpt #: 39 total cpu time spent up to now is 8.9 secs Computing kpt #: 40 total cpu time spent up to now is 9.0 secs Computing kpt #: 41 total cpu time spent up to now is 9.2 secs Computing kpt #: 42 total cpu time spent up to now is 9.3 secs Computing kpt #: 43 total cpu time spent up to now is 9.6 secs Computing kpt #: 44 total cpu time spent up to now is 9.8 secs Computing kpt #: 45 total cpu time spent up to now is 10.1 secs Computing kpt #: 46 total cpu time spent up to now is 10.4 secs Computing kpt #: 47 total cpu time spent up to now is 10.5 secs Computing kpt #: 48 total cpu time spent up to now is 10.8 secs Computing kpt #: 49 total cpu time spent up to now is 11.0 secs Computing kpt #: 50 total cpu time spent up to now is 11.2 secs Computing kpt #: 51 total cpu time spent up to now is 11.4 secs Computing kpt #: 52 total cpu time spent up to now is 11.7 secs Computing kpt #: 53 total cpu time spent up to now is 11.9 secs Computing kpt #: 54 total cpu time spent up to now is 12.1 secs Computing kpt #: 55 total cpu time spent up to now is 12.4 secs Computing kpt #: 56 total cpu time spent up to now is 12.6 secs Computing kpt #: 57 total cpu time spent up to now is 12.8 secs Computing kpt #: 58 total cpu time spent up to now is 13.0 secs Computing kpt #: 59 total cpu time spent up to now is 13.3 secs Computing kpt #: 60 total cpu time spent up to now is 13.5 secs Computing kpt #: 61 total cpu time spent up to now is 13.7 secs Computing kpt #: 62 total cpu time spent up to now is 13.9 secs Computing kpt #: 63 total cpu time spent up to now is 14.1 secs Computing kpt #: 64 total cpu time spent up to now is 14.3 secs Computing kpt #: 65 total cpu time spent up to now is 14.5 secs Computing kpt #: 66 total cpu time spent up to now is 14.6 secs Computing kpt #: 67 total cpu time spent up to now is 14.8 secs Computing kpt #: 68 total cpu time spent up to now is 15.0 secs Computing kpt #: 69 total cpu time spent up to now is 15.1 secs Computing kpt #: 70 total cpu time spent up to now is 15.3 secs Computing kpt #: 71 total cpu time spent up to now is 15.4 secs Computing kpt #: 72 total cpu time spent up to now is 15.6 secs Computing kpt #: 73 total cpu time spent up to now is 15.7 secs Computing kpt #: 74 total cpu time spent up to now is 15.9 secs Computing kpt #: 75 total cpu time spent up to now is 16.0 secs Computing kpt #: 76 total cpu time spent up to now is 16.2 secs Computing kpt #: 77 total cpu time spent up to now is 16.3 secs Computing kpt #: 78 total cpu time spent up to now is 16.5 secs Computing kpt #: 79 total cpu time spent up to now is 16.6 secs Computing kpt #: 80 total cpu time spent up to now is 16.8 secs Computing kpt #: 81 total cpu time spent up to now is 16.9 secs Computing kpt #: 82 total cpu time spent up to now is 17.1 secs Computing kpt #: 83 total cpu time spent up to now is 17.2 secs Computing kpt #: 84 total cpu time spent up to now is 17.4 secs Computing kpt #: 85 total cpu time spent up to now is 17.5 secs Computing kpt #: 86 total cpu time spent up to now is 17.7 secs Computing kpt #: 87 total cpu time spent up to now is 17.8 secs Computing kpt #: 88 total cpu time spent up to now is 18.0 secs Computing kpt #: 89 total cpu time spent up to now is 18.1 secs Computing kpt #: 90 total cpu time spent up to now is 18.3 secs Computing kpt #: 91 total cpu time spent up to now is 18.4 secs Computing kpt #: 92 total cpu time spent up to now is 18.6 secs Computing kpt #: 93 total cpu time spent up to now is 18.7 secs Computing kpt #: 94 total cpu time spent up to now is 18.9 secs Computing kpt #: 95 total cpu time spent up to now is 19.0 secs Computing kpt #: 96 total cpu time spent up to now is 19.2 secs Computing kpt #: 97 total cpu time spent up to now is 19.3 secs Computing kpt #: 98 total cpu time spent up to now is 19.5 secs Computing kpt #: 99 total cpu time spent up to now is 19.6 secs Computing kpt #: 100 total cpu time spent up to now is 19.8 secs Computing kpt #: 101 total cpu time spent up to now is 19.9 secs Computing kpt #: 102 total cpu time spent up to now is 20.1 secs Computing kpt #: 103 total cpu time spent up to now is 20.2 secs Computing kpt #: 104 total cpu time spent up to now is 20.4 secs Computing kpt #: 105 total cpu time spent up to now is 20.6 secs Computing kpt #: 106 total cpu time spent up to now is 20.7 secs Computing kpt #: 107 total cpu time spent up to now is 20.9 secs Computing kpt #: 108 total cpu time spent up to now is 21.1 secs Computing kpt #: 109 total cpu time spent up to now is 21.3 secs Computing kpt #: 110 total cpu time spent up to now is 21.5 secs Computing kpt #: 111 total cpu time spent up to now is 21.7 secs Computing kpt #: 112 total cpu time spent up to now is 21.9 secs Computing kpt #: 113 total cpu time spent up to now is 22.0 secs Computing kpt #: 114 total cpu time spent up to now is 22.2 secs Computing kpt #: 115 total cpu time spent up to now is 22.4 secs Computing kpt #: 116 total cpu time spent up to now is 22.6 secs Computing kpt #: 117 total cpu time spent up to now is 22.8 secs Computing kpt #: 118 total cpu time spent up to now is 22.9 secs Computing kpt #: 119 total cpu time spent up to now is 23.1 secs Computing kpt #: 120 total cpu time spent up to now is 23.3 secs Computing kpt #: 121 total cpu time spent up to now is 23.4 secs Computing kpt #: 122 total cpu time spent up to now is 23.6 secs Computing kpt #: 123 total cpu time spent up to now is 23.8 secs Computing kpt #: 124 total cpu time spent up to now is 23.9 secs Computing kpt #: 125 total cpu time spent up to now is 24.1 secs Computing kpt #: 126 total cpu time spent up to now is 24.2 secs Computing kpt #: 127 total cpu time spent up to now is 24.4 secs Computing kpt #: 128 total cpu time spent up to now is 24.6 secs Computing kpt #: 129 total cpu time spent up to now is 24.7 secs Computing kpt #: 130 total cpu time spent up to now is 24.9 secs Computing kpt #: 131 total cpu time spent up to now is 25.0 secs Computing kpt #: 132 total cpu time spent up to now is 25.2 secs Computing kpt #: 133 total cpu time spent up to now is 25.3 secs Computing kpt #: 134 total cpu time spent up to now is 25.5 secs Computing kpt #: 135 total cpu time spent up to now is 25.7 secs Computing kpt #: 136 total cpu time spent up to now is 25.8 secs Computing kpt #: 137 total cpu time spent up to now is 26.0 secs Computing kpt #: 138 total cpu time spent up to now is 26.1 secs Computing kpt #: 139 total cpu time spent up to now is 26.3 secs Computing kpt #: 140 total cpu time spent up to now is 26.4 secs Computing kpt #: 141 total cpu time spent up to now is 26.6 secs Computing kpt #: 142 total cpu time spent up to now is 26.8 secs Computing kpt #: 143 total cpu time spent up to now is 26.9 secs Computing kpt #: 144 total cpu time spent up to now is 27.1 secs Computing kpt #: 145 total cpu time spent up to now is 27.3 secs Computing kpt #: 146 total cpu time spent up to now is 27.5 secs Computing kpt #: 147 total cpu time spent up to now is 27.7 secs Computing kpt #: 148 total cpu time spent up to now is 27.9 secs Computing kpt #: 149 total cpu time spent up to now is 28.1 secs Computing kpt #: 150 total cpu time spent up to now is 28.3 secs Computing kpt #: 151 total cpu time spent up to now is 28.5 secs Computing kpt #: 152 total cpu time spent up to now is 28.6 secs Computing kpt #: 153 total cpu time spent up to now is 28.8 secs Computing kpt #: 154 total cpu time spent up to now is 29.0 secs Computing kpt #: 155 total cpu time spent up to now is 29.3 secs Computing kpt #: 156 total cpu time spent up to now is 29.5 secs Computing kpt #: 157 total cpu time spent up to now is 29.7 secs Computing kpt #: 158 total cpu time spent up to now is 29.9 secs Computing kpt #: 159 total cpu time spent up to now is 30.1 secs Computing kpt #: 160 total cpu time spent up to now is 30.3 secs Computing kpt #: 161 total cpu time spent up to now is 30.5 secs Computing kpt #: 162 total cpu time spent up to now is 30.7 secs Computing kpt #: 163 total cpu time spent up to now is 30.9 secs Computing kpt #: 164 total cpu time spent up to now is 31.1 secs Computing kpt #: 165 total cpu time spent up to now is 31.3 secs Computing kpt #: 166 total cpu time spent up to now is 31.5 secs Computing kpt #: 167 total cpu time spent up to now is 31.6 secs Computing kpt #: 168 total cpu time spent up to now is 31.8 secs Computing kpt #: 169 total cpu time spent up to now is 32.0 secs Computing kpt #: 170 total cpu time spent up to now is 32.1 secs Computing kpt #: 171 total cpu time spent up to now is 32.3 secs Computing kpt #: 172 total cpu time spent up to now is 32.5 secs Computing kpt #: 173 total cpu time spent up to now is 32.6 secs Computing kpt #: 174 total cpu time spent up to now is 32.8 secs Computing kpt #: 175 total cpu time spent up to now is 32.9 secs Computing kpt #: 176 total cpu time spent up to now is 33.1 secs Computing kpt #: 177 total cpu time spent up to now is 33.3 secs Computing kpt #: 178 total cpu time spent up to now is 33.5 secs Computing kpt #: 179 total cpu time spent up to now is 33.7 secs Computing kpt #: 180 total cpu time spent up to now is 33.9 secs Computing kpt #: 181 total cpu time spent up to now is 34.1 secs Computing kpt #: 182 total cpu time spent up to now is 34.3 secs Computing kpt #: 183 total cpu time spent up to now is 34.5 secs Computing kpt #: 184 total cpu time spent up to now is 34.7 secs Computing kpt #: 185 total cpu time spent up to now is 34.9 secs Computing kpt #: 186 total cpu time spent up to now is 35.1 secs Computing kpt #: 187 total cpu time spent up to now is 35.3 secs Computing kpt #: 188 total cpu time spent up to now is 35.5 secs Computing kpt #: 189 total cpu time spent up to now is 35.7 secs Computing kpt #: 190 total cpu time spent up to now is 36.0 secs Computing kpt #: 191 total cpu time spent up to now is 36.1 secs Computing kpt #: 192 total cpu time spent up to now is 36.3 secs Computing kpt #: 193 total cpu time spent up to now is 36.5 secs Computing kpt #: 194 total cpu time spent up to now is 36.7 secs Computing kpt #: 195 total cpu time spent up to now is 36.9 secs Computing kpt #: 196 total cpu time spent up to now is 37.1 secs Computing kpt #: 197 total cpu time spent up to now is 37.2 secs Computing kpt #: 198 total cpu time spent up to now is 37.4 secs Computing kpt #: 199 total cpu time spent up to now is 37.6 secs Computing kpt #: 200 total cpu time spent up to now is 37.7 secs Computing kpt #: 201 total cpu time spent up to now is 37.9 secs Computing kpt #: 202 total cpu time spent up to now is 38.1 secs Computing kpt #: 203 total cpu time spent up to now is 38.3 secs Computing kpt #: 204 total cpu time spent up to now is 38.4 secs Computing kpt #: 205 total cpu time spent up to now is 38.6 secs Computing kpt #: 206 total cpu time spent up to now is 38.7 secs Computing kpt #: 207 total cpu time spent up to now is 38.9 secs Computing kpt #: 208 total cpu time spent up to now is 39.1 secs Computing kpt #: 209 total cpu time spent up to now is 39.2 secs Computing kpt #: 210 total cpu time spent up to now is 39.4 secs Computing kpt #: 211 total cpu time spent up to now is 39.5 secs Computing kpt #: 212 total cpu time spent up to now is 39.7 secs Computing kpt #: 213 total cpu time spent up to now is 39.9 secs Computing kpt #: 214 total cpu time spent up to now is 40.0 secs Computing kpt #: 215 total cpu time spent up to now is 40.2 secs Computing kpt #: 216 total cpu time spent up to now is 40.3 secs Computing kpt #: 217 total cpu time spent up to now is 40.5 secs Computing kpt #: 218 total cpu time spent up to now is 40.6 secs Computing kpt #: 219 total cpu time spent up to now is 40.8 secs Computing kpt #: 220 total cpu time spent up to now is 40.9 secs Computing kpt #: 221 total cpu time spent up to now is 41.1 secs Computing kpt #: 222 total cpu time spent up to now is 41.2 secs Computing kpt #: 223 total cpu time spent up to now is 41.4 secs Computing kpt #: 224 total cpu time spent up to now is 41.5 secs Computing kpt #: 225 total cpu time spent up to now is 41.7 secs Computing kpt #: 226 total cpu time spent up to now is 41.8 secs Computing kpt #: 227 total cpu time spent up to now is 42.0 secs Computing kpt #: 228 total cpu time spent up to now is 42.1 secs Computing kpt #: 229 total cpu time spent up to now is 42.2 secs Computing kpt #: 230 total cpu time spent up to now is 42.4 secs Computing kpt #: 231 total cpu time spent up to now is 42.5 secs Computing kpt #: 232 total cpu time spent up to now is 42.7 secs Computing kpt #: 233 total cpu time spent up to now is 42.8 secs Computing kpt #: 234 total cpu time spent up to now is 43.0 secs Computing kpt #: 235 total cpu time spent up to now is 43.1 secs Computing kpt #: 236 total cpu time spent up to now is 43.3 secs Computing kpt #: 237 total cpu time spent up to now is 43.5 secs Computing kpt #: 238 total cpu time spent up to now is 43.6 secs Computing kpt #: 239 total cpu time spent up to now is 43.8 secs Computing kpt #: 240 total cpu time spent up to now is 43.9 secs Computing kpt #: 241 total cpu time spent up to now is 44.1 secs Computing kpt #: 242 total cpu time spent up to now is 44.2 secs Computing kpt #: 243 total cpu time spent up to now is 44.4 secs Computing kpt #: 244 total cpu time spent up to now is 44.5 secs Computing kpt #: 245 total cpu time spent up to now is 44.7 secs Computing kpt #: 246 total cpu time spent up to now is 44.9 secs Computing kpt #: 247 total cpu time spent up to now is 45.0 secs Computing kpt #: 248 total cpu time spent up to now is 45.2 secs Computing kpt #: 249 total cpu time spent up to now is 45.4 secs Computing kpt #: 250 total cpu time spent up to now is 45.5 secs Computing kpt #: 251 total cpu time spent up to now is 45.7 secs Computing kpt #: 252 total cpu time spent up to now is 45.9 secs Computing kpt #: 253 total cpu time spent up to now is 46.0 secs Computing kpt #: 254 total cpu time spent up to now is 46.2 secs Computing kpt #: 255 total cpu time spent up to now is 46.4 secs Computing kpt #: 256 total cpu time spent up to now is 46.5 secs Computing kpt #: 257 total cpu time spent up to now is 46.7 secs Computing kpt #: 258 total cpu time spent up to now is 46.9 secs Computing kpt #: 259 total cpu time spent up to now is 47.1 secs Computing kpt #: 260 total cpu time spent up to now is 47.3 secs Computing kpt #: 261 total cpu time spent up to now is 47.4 secs Computing kpt #: 262 total cpu time spent up to now is 47.6 secs Computing kpt #: 263 total cpu time spent up to now is 47.8 secs Computing kpt #: 264 total cpu time spent up to now is 48.0 secs Computing kpt #: 265 total cpu time spent up to now is 48.2 secs Computing kpt #: 266 total cpu time spent up to now is 48.4 secs Computing kpt #: 267 total cpu time spent up to now is 48.6 secs Computing kpt #: 268 total cpu time spent up to now is 48.8 secs Computing kpt #: 269 total cpu time spent up to now is 48.9 secs Computing kpt #: 270 total cpu time spent up to now is 49.1 secs Computing kpt #: 271 total cpu time spent up to now is 49.3 secs Computing kpt #: 272 total cpu time spent up to now is 49.4 secs Computing kpt #: 273 total cpu time spent up to now is 49.6 secs Computing kpt #: 274 total cpu time spent up to now is 49.7 secs Computing kpt #: 275 total cpu time spent up to now is 49.9 secs Computing kpt #: 276 total cpu time spent up to now is 50.1 secs Computing kpt #: 277 total cpu time spent up to now is 50.2 secs Computing kpt #: 278 total cpu time spent up to now is 50.4 secs Computing kpt #: 279 total cpu time spent up to now is 50.5 secs Computing kpt #: 280 total cpu time spent up to now is 50.7 secs Computing kpt #: 281 total cpu time spent up to now is 50.8 secs Computing kpt #: 282 total cpu time spent up to now is 50.9 secs Computing kpt #: 283 total cpu time spent up to now is 51.1 secs Computing kpt #: 284 total cpu time spent up to now is 51.2 secs Computing kpt #: 285 total cpu time spent up to now is 51.4 secs Computing kpt #: 286 total cpu time spent up to now is 51.5 secs Computing kpt #: 287 total cpu time spent up to now is 51.7 secs Computing kpt #: 288 total cpu time spent up to now is 51.8 secs Computing kpt #: 289 total cpu time spent up to now is 52.0 secs Computing kpt #: 290 total cpu time spent up to now is 52.1 secs Computing kpt #: 291 total cpu time spent up to now is 52.3 secs Computing kpt #: 292 total cpu time spent up to now is 52.4 secs Computing kpt #: 293 total cpu time spent up to now is 52.6 secs Computing kpt #: 294 total cpu time spent up to now is 52.7 secs Computing kpt #: 295 total cpu time spent up to now is 52.9 secs Computing kpt #: 296 total cpu time spent up to now is 53.0 secs Computing kpt #: 297 total cpu time spent up to now is 53.2 secs Computing kpt #: 298 total cpu time spent up to now is 53.4 secs Computing kpt #: 299 total cpu time spent up to now is 53.5 secs Computing kpt #: 300 total cpu time spent up to now is 53.7 secs Computing kpt #: 301 total cpu time spent up to now is 53.9 secs Computing kpt #: 302 total cpu time spent up to now is 54.0 secs Computing kpt #: 303 total cpu time spent up to now is 54.2 secs Computing kpt #: 304 total cpu time spent up to now is 54.4 secs Computing kpt #: 305 total cpu time spent up to now is 54.5 secs Computing kpt #: 306 total cpu time spent up to now is 54.7 secs Computing kpt #: 307 total cpu time spent up to now is 54.9 secs Computing kpt #: 308 total cpu time spent up to now is 55.0 secs Computing kpt #: 309 total cpu time spent up to now is 55.2 secs Computing kpt #: 310 total cpu time spent up to now is 55.4 secs Computing kpt #: 311 total cpu time spent up to now is 55.5 secs Computing kpt #: 312 total cpu time spent up to now is 55.7 secs Computing kpt #: 313 total cpu time spent up to now is 55.8 secs Computing kpt #: 314 total cpu time spent up to now is 56.0 secs Computing kpt #: 315 total cpu time spent up to now is 56.1 secs Computing kpt #: 316 total cpu time spent up to now is 56.3 secs Computing kpt #: 317 total cpu time spent up to now is 56.5 secs Computing kpt #: 318 total cpu time spent up to now is 56.6 secs Computing kpt #: 319 total cpu time spent up to now is 56.8 secs Computing kpt #: 320 total cpu time spent up to now is 56.9 secs Computing kpt #: 321 total cpu time spent up to now is 57.1 secs Computing kpt #: 322 total cpu time spent up to now is 57.2 secs Computing kpt #: 323 total cpu time spent up to now is 57.4 secs Computing kpt #: 324 total cpu time spent up to now is 57.5 secs Computing kpt #: 325 total cpu time spent up to now is 57.6 secs Computing kpt #: 326 total cpu time spent up to now is 57.8 secs Computing kpt #: 327 total cpu time spent up to now is 57.9 secs Computing kpt #: 328 total cpu time spent up to now is 58.1 secs Computing kpt #: 329 total cpu time spent up to now is 58.2 secs Computing kpt #: 330 total cpu time spent up to now is 58.4 secs Computing kpt #: 331 total cpu time spent up to now is 58.5 secs Computing kpt #: 332 total cpu time spent up to now is 58.7 secs Computing kpt #: 333 total cpu time spent up to now is 58.8 secs Computing kpt #: 334 total cpu time spent up to now is 59.0 secs Computing kpt #: 335 total cpu time spent up to now is 59.1 secs Computing kpt #: 336 total cpu time spent up to now is 59.3 secs Computing kpt #: 337 total cpu time spent up to now is 59.4 secs Computing kpt #: 338 total cpu time spent up to now is 59.6 secs Computing kpt #: 339 total cpu time spent up to now is 59.7 secs Computing kpt #: 340 total cpu time spent up to now is 59.9 secs Computing kpt #: 341 total cpu time spent up to now is 60.0 secs Computing kpt #: 342 total cpu time spent up to now is 60.2 secs Computing kpt #: 343 total cpu time spent up to now is 60.3 secs Computing kpt #: 344 total cpu time spent up to now is 60.5 secs Computing kpt #: 345 total cpu time spent up to now is 60.6 secs Computing kpt #: 346 total cpu time spent up to now is 60.8 secs Computing kpt #: 347 total cpu time spent up to now is 61.0 secs Computing kpt #: 348 total cpu time spent up to now is 61.1 secs Computing kpt #: 349 total cpu time spent up to now is 61.3 secs Computing kpt #: 350 total cpu time spent up to now is 61.4 secs Computing kpt #: 351 total cpu time spent up to now is 61.6 secs Computing kpt #: 352 total cpu time spent up to now is 61.8 secs Computing kpt #: 353 total cpu time spent up to now is 61.9 secs Computing kpt #: 354 total cpu time spent up to now is 62.1 secs Computing kpt #: 355 total cpu time spent up to now is 62.3 secs Computing kpt #: 356 total cpu time spent up to now is 62.4 secs Computing kpt #: 357 total cpu time spent up to now is 62.6 secs Computing kpt #: 358 total cpu time spent up to now is 62.8 secs Computing kpt #: 359 total cpu time spent up to now is 63.0 secs Computing kpt #: 360 total cpu time spent up to now is 63.1 secs Computing kpt #: 361 total cpu time spent up to now is 63.3 secs Computing kpt #: 362 total cpu time spent up to now is 63.5 secs Computing kpt #: 363 total cpu time spent up to now is 63.7 secs Computing kpt #: 364 total cpu time spent up to now is 63.9 secs Computing kpt #: 365 total cpu time spent up to now is 64.1 secs Computing kpt #: 366 total cpu time spent up to now is 64.3 secs Computing kpt #: 367 total cpu time spent up to now is 64.5 secs Computing kpt #: 368 total cpu time spent up to now is 64.7 secs Computing kpt #: 369 total cpu time spent up to now is 64.9 secs Computing kpt #: 370 total cpu time spent up to now is 65.1 secs Computing kpt #: 371 total cpu time spent up to now is 65.3 secs Computing kpt #: 372 total cpu time spent up to now is 65.5 secs Computing kpt #: 373 total cpu time spent up to now is 65.7 secs Computing kpt #: 374 total cpu time spent up to now is 65.9 secs Computing kpt #: 375 total cpu time spent up to now is 66.1 secs Computing kpt #: 376 total cpu time spent up to now is 66.2 secs Computing kpt #: 377 total cpu time spent up to now is 66.4 secs Computing kpt #: 378 total cpu time spent up to now is 66.6 secs Computing kpt #: 379 total cpu time spent up to now is 66.8 secs Computing kpt #: 380 total cpu time spent up to now is 67.0 secs Computing kpt #: 381 total cpu time spent up to now is 67.2 secs Computing kpt #: 382 total cpu time spent up to now is 67.4 secs Computing kpt #: 383 total cpu time spent up to now is 67.6 secs Computing kpt #: 384 total cpu time spent up to now is 67.8 secs Computing kpt #: 385 total cpu time spent up to now is 68.0 secs Computing kpt #: 386 total cpu time spent up to now is 68.3 secs ethr = 3.13E-08, avg # of iterations = 11.2 total cpu time spent up to now is 68.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9437 -42.9437 -16.9650 -16.9650 -16.7889 -16.7889 -16.7889 -16.7889 -15.2464 -15.2464 -15.0724 -15.0724 -15.0724 -15.0724 -14.9303 -14.9303 -14.7503 -14.7503 -14.7503 -14.7503 -3.1314 -3.1314 8.6406 8.6406 8.6578 8.6578 8.6578 8.6578 10.7094 10.7094 18.1665 18.1665 18.2012 18.2012 18.2012 18.2012 k = 0.0086-0.0050 0.0070 ( 2481 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9439 -42.9439 -16.9653 -16.9653 -16.7892 -16.7892 -16.7891 -16.7891 -15.2468 -15.2468 -15.0729 -15.0729 -15.0727 -15.0727 -14.9304 -14.9304 -14.7505 -14.7505 -14.7503 -14.7503 -3.1307 -3.1307 8.6380 8.6380 8.6542 8.6542 8.6573 8.6573 10.7162 10.7162 18.1663 18.1663 18.2001 18.2001 18.2022 18.2022 k = 0.0172-0.0100 0.0141 ( 2497 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9440 -42.9440 -16.9655 -16.9655 -16.7895 -16.7895 -16.7893 -16.7893 -15.2466 -15.2466 -15.0730 -15.0730 -15.0724 -15.0724 -14.9307 -14.9307 -14.7513 -14.7513 -14.7503 -14.7503 -3.1288 -3.1288 8.6261 8.6261 8.6480 8.6480 8.6559 8.6559 10.7364 10.7364 18.1649 18.1649 18.1976 18.1976 18.2053 18.2053 k = 0.0259-0.0149 0.0211 ( 2501 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9442 -42.9442 -16.9658 -16.9658 -16.7900 -16.7900 -16.7895 -16.7895 -15.2460 -15.2460 -15.0728 -15.0728 -15.0715 -15.0715 -14.9312 -14.9312 -14.7525 -14.7525 -14.7503 -14.7503 -3.1256 -3.1256 8.6010 8.6010 8.6439 8.6439 8.6538 8.6538 10.7692 10.7692 18.1593 18.1593 18.1968 18.1968 18.2103 18.2103 k = 0.0345-0.0199 0.0282 ( 2509 PWs) bands (ev): -44.8627 -44.8627 -43.0313 -43.0313 -42.9444 -42.9444 -16.9661 -16.9661 -16.7906 -16.7906 -16.7897 -16.7897 -15.2451 -15.2451 -15.0727 -15.0727 -15.0703 -15.0703 -14.9320 -14.9320 -14.7543 -14.7543 -14.7503 -14.7503 -3.1212 -3.1212 8.5652 8.5652 8.6403 8.6403 8.6507 8.6507 10.8138 10.8138 18.1471 18.1471 18.2001 18.2001 18.2173 18.2173 k = 0.0431-0.0249 0.0352 ( 2525 PWs) bands (ev): -44.8626 -44.8626 -43.0313 -43.0313 -42.9446 -42.9446 -16.9666 -16.9666 -16.7915 -16.7915 -16.7899 -16.7899 -15.2441 -15.2441 -15.0726 -15.0726 -15.0687 -15.0687 -14.9330 -14.9330 -14.7564 -14.7564 -14.7503 -14.7503 -3.1155 -3.1155 8.5209 8.5209 8.6361 8.6361 8.6468 8.6468 10.8688 10.8688 18.1286 18.1286 18.2073 18.2073 18.2262 18.2262 k = 0.0517-0.0299 0.0422 ( 2529 PWs) bands (ev): -44.8624 -44.8624 -43.0312 -43.0312 -42.9449 -42.9449 -16.9670 -16.9670 -16.7924 -16.7924 -16.7901 -16.7901 -15.2428 -15.2428 -15.0723 -15.0723 -15.0667 -15.0667 -14.9342 -14.9342 -14.7590 -14.7590 -14.7503 -14.7503 -3.1086 -3.1086 8.4695 8.4695 8.6313 8.6313 8.6421 8.6421 10.9329 10.9329 18.1048 18.1048 18.2173 18.2173 18.2370 18.2370 k = 0.0603-0.0348 0.0493 ( 2525 PWs) bands (ev): -44.8621 -44.8621 -43.0311 -43.0311 -42.9452 -42.9452 -16.9675 -16.9675 -16.7935 -16.7935 -16.7902 -16.7902 -15.2412 -15.2412 -15.0720 -15.0720 -15.0643 -15.0643 -14.9356 -14.9356 -14.7617 -14.7617 -14.7503 -14.7503 -3.1006 -3.1006 8.4124 8.4124 8.6258 8.6258 8.6367 8.6367 11.0049 11.0049 18.0764 18.0764 18.2297 18.2297 18.2495 18.2495 k = 0.0690-0.0398 0.0563 ( 2525 PWs) bands (ev): -44.8619 -44.8619 -43.0309 -43.0309 -42.9456 -42.9456 -16.9681 -16.9681 -16.7947 -16.7947 -16.7904 -16.7904 -15.2394 -15.2394 -15.0716 -15.0716 -15.0616 -15.0616 -14.9373 -14.9373 -14.7649 -14.7649 -14.7502 -14.7502 -3.0913 -3.0913 8.3508 8.3508 8.6196 8.6196 8.6304 8.6304 11.0836 11.0836 18.0438 18.0438 18.2440 18.2440 18.2638 18.2638 k = 0.0776-0.0448 0.0633 ( 2533 PWs) bands (ev): -44.8616 -44.8616 -43.0308 -43.0308 -42.9461 -42.9461 -16.9688 -16.9688 -16.7961 -16.7961 -16.7907 -16.7907 -15.2375 -15.2375 -15.0712 -15.0712 -15.0585 -15.0585 -14.9394 -14.9394 -14.7685 -14.7685 -14.7503 -14.7503 -3.0809 -3.0809 8.2856 8.2856 8.6127 8.6127 8.6234 8.6234 11.1679 11.1679 18.0072 18.0072 18.2602 18.2602 18.2797 18.2797 k = 0.0862-0.0498 0.0704 ( 2533 PWs) bands (ev): -44.8613 -44.8613 -43.0306 -43.0306 -42.9465 -42.9465 -16.9695 -16.9695 -16.7976 -16.7976 -16.7909 -16.7909 -15.2353 -15.2353 -15.0707 -15.0707 -15.0551 -15.0551 -14.9418 -14.9418 -14.7723 -14.7723 -14.7502 -14.7502 -3.0694 -3.0694 8.2179 8.2179 8.6051 8.6051 8.6156 8.6156 11.2569 11.2569 17.9669 17.9669 18.2718 18.2718 18.2780 18.2780 k = 0.0948-0.0547 0.0774 ( 2533 PWs) bands (ev): -44.8610 -44.8610 -43.0305 -43.0305 -42.9471 -42.9471 -16.9703 -16.9703 -16.7993 -16.7993 -16.7911 -16.7911 -15.2329 -15.2329 -15.0702 -15.0702 -15.0513 -15.0513 -14.9445 -14.9445 -14.7762 -14.7762 -14.7501 -14.7501 -3.0568 -3.0568 8.1482 8.1482 8.5968 8.5968 8.6072 8.6072 11.3496 11.3496 17.9231 17.9231 18.1635 18.1635 18.2974 18.2974 k = 0.1034-0.0597 0.0845 ( 2533 PWs) bands (ev): -44.8606 -44.8606 -43.0303 -43.0303 -42.9476 -42.9476 -16.9712 -16.9712 -16.8011 -16.8011 -16.7914 -16.7914 -15.2304 -15.2304 -15.0696 -15.0696 -15.0471 -15.0471 -14.9477 -14.9477 -14.7803 -14.7803 -14.7501 -14.7501 -3.0432 -3.0432 8.0774 8.0774 8.5878 8.5878 8.5981 8.5981 11.4455 11.4455 17.8761 17.8761 18.0529 18.0529 18.3182 18.3182 k = 0.1121-0.0647 0.0915 ( 2541 PWs) bands (ev): -44.8602 -44.8602 -43.0301 -43.0301 -42.9483 -42.9483 -16.9721 -16.9721 -16.8030 -16.8030 -16.7917 -16.7917 -15.2278 -15.2278 -15.0689 -15.0689 -15.0426 -15.0426 -14.9515 -14.9515 -14.7847 -14.7847 -14.7501 -14.7501 -3.0287 -3.0287 8.0059 8.0059 8.5783 8.5783 8.5885 8.5885 11.5437 11.5437 17.8262 17.8262 17.9410 17.9410 18.3403 18.3403 k = 0.1207-0.0697 0.0985 ( 2541 PWs) bands (ev): -44.8598 -44.8598 -43.0298 -43.0298 -42.9489 -42.9489 -16.9731 -16.9731 -16.8050 -16.8050 -16.7920 -16.7920 -15.2249 -15.2249 -15.0682 -15.0682 -15.0377 -15.0377 -14.9555 -14.9555 -14.7889 -14.7889 -14.7500 -14.7500 -3.0132 -3.0132 7.9342 7.9342 8.5682 8.5682 8.5782 8.5782 11.6437 11.6437 17.7735 17.7735 17.8284 17.8284 18.3635 18.3635 k = 0.1293-0.0747 0.1056 ( 2541 PWs) bands (ev): -44.8593 -44.8593 -43.0296 -43.0296 -42.9496 -42.9496 -16.9742 -16.9742 -16.8072 -16.8072 -16.7922 -16.7922 -15.2220 -15.2220 -15.0675 -15.0675 -15.0325 -15.0325 -14.9601 -14.9601 -14.7931 -14.7931 -14.7500 -14.7500 -2.9968 -2.9968 7.8627 7.8627 8.5576 8.5576 8.5674 8.5674 11.7450 11.7450 17.7158 17.7158 17.7183 17.7183 18.3878 18.3878 k = 0.1379-0.0796 0.1126 ( 2541 PWs) bands (ev): -44.8589 -44.8589 -43.0293 -43.0293 -42.9503 -42.9503 -16.9753 -16.9753 -16.8094 -16.8094 -16.7925 -16.7925 -15.2189 -15.2189 -15.0667 -15.0667 -15.0270 -15.0270 -14.9652 -14.9652 -14.7972 -14.7972 -14.7500 -14.7500 -2.9796 -2.9796 7.7918 7.7918 8.5465 8.5465 8.5562 8.5562 11.8470 11.8470 17.6037 17.6037 17.6609 17.6609 18.4130 18.4130 k = 0.1466-0.0846 0.1197 ( 2541 PWs) bands (ev): -44.8584 -44.8584 -43.0291 -43.0291 -42.9511 -42.9511 -16.9766 -16.9766 -16.8118 -16.8118 -16.7927 -16.7927 -15.2158 -15.2158 -15.0659 -15.0659 -15.0212 -15.0212 -14.9708 -14.9708 -14.8013 -14.8013 -14.7500 -14.7500 -2.9616 -2.9616 7.7217 7.7217 8.5350 8.5350 8.5445 8.5445 11.9492 11.9492 17.4928 17.4928 17.6015 17.6015 18.4389 18.4389 k = 0.1552-0.0896 0.1267 ( 2537 PWs) bands (ev): -44.8578 -44.8578 -43.0288 -43.0288 -42.9519 -42.9519 -16.9778 -16.9778 -16.8143 -16.8143 -16.7929 -16.7929 -15.2125 -15.2125 -15.0651 -15.0651 -15.0149 -15.0149 -14.9770 -14.9770 -14.8051 -14.8051 -14.7500 -14.7500 -2.9430 -2.9430 7.6527 7.6527 8.5231 8.5231 8.5324 8.5324 12.0511 12.0511 17.3836 17.3836 17.5404 17.5404 18.4656 18.4656 k = 0.1638-0.0946 0.1337 ( 2541 PWs) bands (ev): -44.8573 -44.8573 -43.0285 -43.0285 -42.9527 -42.9527 -16.9792 -16.9792 -16.8168 -16.8168 -16.7932 -16.7932 -15.2092 -15.2092 -15.0644 -15.0644 -15.0085 -15.0085 -14.9836 -14.9836 -14.8088 -14.8088 -14.7500 -14.7500 -2.9237 -2.9237 7.5850 7.5850 8.5109 8.5109 8.5199 8.5199 12.1523 12.1523 17.2767 17.2767 17.4777 17.4777 18.4928 18.4928 k = 0.1724-0.0995 0.1408 ( 2529 PWs) bands (ev): -44.8567 -44.8567 -43.0281 -43.0281 -42.9535 -42.9535 -16.9805 -16.9805 -16.8194 -16.8194 -16.7934 -16.7934 -15.2058 -15.2058 -15.0636 -15.0636 -15.0018 -15.0018 -14.9905 -14.9905 -14.8121 -14.8121 -14.7498 -14.7498 -2.9038 -2.9038 7.5188 7.5188 8.4983 8.4983 8.5072 8.5072 12.2522 12.2522 17.1727 17.1727 17.4138 17.4138 18.5205 18.5205 k = 0.1810-0.1045 0.1478 ( 2517 PWs) bands (ev): -44.8561 -44.8561 -43.0278 -43.0278 -42.9544 -42.9544 -16.9819 -16.9819 -16.8221 -16.8221 -16.7934 -16.7934 -15.2022 -15.2022 -15.0629 -15.0629 -14.9979 -14.9979 -14.9945 -14.9945 -14.8154 -14.8154 -14.7499 -14.7499 -2.8834 -2.8834 7.4542 7.4542 8.4855 8.4855 8.4941 8.4941 12.3502 12.3502 17.0721 17.0721 17.3489 17.3489 18.5485 18.5485 k = 0.1897-0.1095 0.1549 ( 2517 PWs) bands (ev): -44.8556 -44.8556 -43.0275 -43.0275 -42.9553 -42.9553 -16.9834 -16.9834 -16.8249 -16.8249 -16.7936 -16.7936 -15.1987 -15.1987 -15.0626 -15.0626 -15.0055 -15.0055 -14.9872 -14.9872 -14.8184 -14.8184 -14.7500 -14.7500 -2.8625 -2.8625 7.3914 7.3914 8.4725 8.4725 8.4809 8.4809 12.4458 12.4458 16.9755 16.9755 17.2832 17.2832 18.5768 18.5768 k = 0.1983-0.1145 0.1619 ( 2517 PWs) bands (ev): -44.8550 -44.8550 -43.0272 -43.0272 -42.9562 -42.9562 -16.9850 -16.9850 -16.8277 -16.8277 -16.7937 -16.7937 -15.1951 -15.1951 -15.0626 -15.0626 -15.0132 -15.0132 -14.9798 -14.9798 -14.8212 -14.8212 -14.7501 -14.7501 -2.8413 -2.8413 7.3306 7.3306 8.4593 8.4593 8.4675 8.4675 12.5383 12.5383 16.8838 16.8838 17.2169 17.2169 18.6053 18.6053 k = 0.2069-0.1195 0.1689 ( 2517 PWs) bands (ev): -44.8544 -44.8544 -43.0269 -43.0269 -42.9571 -42.9571 -16.9866 -16.9866 -16.8306 -16.8306 -16.7939 -16.7939 -15.1916 -15.1916 -15.0634 -15.0634 -15.0204 -15.0204 -14.9721 -14.9721 -14.8239 -14.8239 -14.7502 -14.7502 -2.8198 -2.8198 7.2717 7.2717 8.4459 8.4459 8.4539 8.4539 12.6271 12.6271 16.7975 16.7975 17.1502 17.1502 18.6339 18.6339 k = 0.2155-0.1244 0.1760 ( 2509 PWs) bands (ev): -44.8537 -44.8537 -43.0265 -43.0265 -42.9580 -42.9580 -16.9882 -16.9882 -16.8335 -16.8335 -16.7939 -16.7939 -15.1879 -15.1879 -15.0654 -15.0654 -15.0267 -15.0267 -14.9641 -14.9641 -14.8263 -14.8263 -14.7504 -14.7504 -2.7980 -2.7980 7.2150 7.2150 8.4325 8.4325 8.4403 8.4403 12.7116 12.7116 16.7175 16.7175 17.0833 17.0833 18.6624 18.6624 k = 0.2241-0.1294 0.1830 ( 2517 PWs) bands (ev): -44.8531 -44.8531 -43.0262 -43.0262 -42.9590 -42.9590 -16.9899 -16.9899 -16.8365 -16.8365 -16.7940 -16.7940 -15.1843 -15.1843 -15.0693 -15.0693 -15.0315 -15.0315 -14.9560 -14.9560 -14.8288 -14.8288 -14.7508 -14.7508 -2.7761 -2.7761 7.1605 7.1605 8.4191 8.4191 8.4266 8.4266 12.7909 12.7909 16.6445 16.6445 17.0165 17.0165 18.6909 18.6909 k = 0.2328-0.1344 0.1900 ( 2525 PWs) bands (ev): -44.8525 -44.8525 -43.0258 -43.0258 -42.9600 -42.9600 -16.9917 -16.9917 -16.8396 -16.8396 -16.7941 -16.7941 -15.1807 -15.1807 -15.0753 -15.0753 -15.0345 -15.0345 -14.9480 -14.9480 -14.8309 -14.8309 -14.7510 -14.7510 -2.7541 -2.7541 7.1081 7.1081 8.4056 8.4056 8.4129 8.4129 12.8643 12.8643 16.5794 16.5794 16.9499 16.9499 18.7193 18.7193 k = 0.2414-0.1394 0.1971 ( 2525 PWs) bands (ev): -44.8519 -44.8519 -43.0255 -43.0255 -42.9609 -42.9609 -16.9934 -16.9934 -16.8426 -16.8426 -16.7942 -16.7942 -15.1771 -15.1771 -15.0831 -15.0831 -15.0357 -15.0357 -14.9397 -14.9397 -14.8329 -14.8329 -14.7513 -14.7513 -2.7320 -2.7320 7.0581 7.0581 8.3922 8.3922 8.3993 8.3993 12.9310 12.9310 16.5229 16.5229 16.8837 16.8837 18.7474 18.7474 k = 0.2500-0.1443 0.2041 ( 2525 PWs) bands (ev): -44.8512 -44.8512 -43.0251 -43.0251 -42.9619 -42.9619 -16.9952 -16.9952 -16.8456 -16.8456 -16.7942 -16.7942 -15.1735 -15.1735 -15.0922 -15.0922 -15.0358 -15.0358 -14.9314 -14.9314 -14.8348 -14.8348 -14.7516 -14.7516 -2.7100 -2.7100 7.0104 7.0104 8.3788 8.3788 8.3857 8.3857 12.9903 12.9903 16.4760 16.4760 16.8181 16.8181 18.7753 18.7753 k = 0.2586-0.1493 0.2112 ( 2525 PWs) bands (ev): -44.8506 -44.8506 -43.0248 -43.0248 -42.9629 -42.9629 -16.9970 -16.9970 -16.8486 -16.8486 -16.7941 -16.7941 -15.1699 -15.1699 -15.1021 -15.1021 -15.0352 -15.0352 -14.9230 -14.9230 -14.8366 -14.8366 -14.7519 -14.7519 -2.6880 -2.6880 6.9651 6.9651 8.3656 8.3656 8.3723 8.3723 13.0416 13.0416 16.4392 16.4392 16.7532 16.7532 18.8029 18.8029 k = 0.2672-0.1543 0.2182 ( 2517 PWs) bands (ev): -44.8499 -44.8499 -43.0244 -43.0244 -42.9638 -42.9638 -16.9988 -16.9988 -16.8516 -16.8516 -16.7940 -16.7940 -15.1663 -15.1663 -15.1123 -15.1123 -15.0340 -15.0340 -14.9145 -14.9145 -14.8382 -14.8382 -14.7522 -14.7522 -2.6663 -2.6663 6.9221 6.9221 8.3525 8.3525 8.3590 8.3590 13.0842 13.0842 16.4132 16.4132 16.6892 16.6892 18.8301 18.8301 k = 0.2759-0.1593 0.2252 ( 2501 PWs) bands (ev): -44.8493 -44.8493 -43.0240 -43.0240 -42.9648 -42.9648 -17.0005 -17.0005 -16.8544 -16.8544 -16.7938 -16.7938 -15.1626 -15.1626 -15.1229 -15.1229 -15.0324 -15.0324 -14.9060 -14.9060 -14.8397 -14.8397 -14.7525 -14.7525 -2.6447 -2.6447 6.8815 6.8815 8.3397 8.3397 8.3459 8.3459 13.1179 13.1179 16.3984 16.3984 16.6263 16.6263 18.8569 18.8583 k = 0.2845-0.1642 0.2323 ( 2501 PWs) bands (ev): -44.8487 -44.8487 -43.0237 -43.0237 -42.9657 -42.9657 -17.0023 -17.0023 -16.8574 -16.8574 -16.7937 -16.7937 -15.1591 -15.1591 -15.1338 -15.1338 -15.0307 -15.0307 -14.8976 -14.8976 -14.8413 -14.8413 -14.7529 -14.7529 -2.6235 -2.6235 6.8433 6.8433 8.3270 8.3270 8.3330 8.3330 13.1424 13.1424 16.3950 16.3950 16.5647 16.5647 18.8831 18.8847 k = 0.2931-0.1692 0.2393 ( 2501 PWs) bands (ev): -44.8481 -44.8481 -43.0233 -43.0233 -42.9667 -42.9667 -17.0041 -17.0041 -16.8603 -16.8603 -16.7936 -16.7936 -15.1556 -15.1556 -15.1448 -15.1448 -15.0288 -15.0288 -14.8893 -14.8893 -14.8428 -14.8428 -14.7533 -14.7533 -2.6027 -2.6027 6.8074 6.8074 8.3146 8.3146 8.3204 8.3204 13.1577 13.1577 16.4031 16.4031 16.5043 16.5043 18.9089 18.9096 k = 0.3017-0.1742 0.2464 ( 2493 PWs) bands (ev): -44.8474 -44.8474 -43.0230 -43.0230 -42.9676 -42.9676 -17.0058 -17.0058 -16.8632 -16.8632 -16.7932 -16.7932 -15.1555 -15.1555 -15.1522 -15.1522 -15.0268 -15.0268 -14.8810 -14.8810 -14.8443 -14.8443 -14.7538 -14.7538 -2.5822 -2.5822 6.7738 6.7738 8.3024 8.3024 8.3081 8.3081 13.1641 13.1641 16.4223 16.4223 16.4455 16.4455 18.9341 18.9344 k = 0.3103-0.1792 0.2534 ( 2493 PWs) bands (ev): -44.8468 -44.8468 -43.0226 -43.0226 -42.9685 -42.9685 -17.0076 -17.0076 -16.8660 -16.8660 -16.7930 -16.7930 -15.1664 -15.1664 -15.1488 -15.1488 -15.0248 -15.0248 -14.8729 -14.8729 -14.8457 -14.8457 -14.7543 -14.7543 -2.5623 -2.5623 6.7425 6.7425 8.2906 8.2906 8.2961 8.2961 13.1622 13.1622 16.3883 16.3883 16.4522 16.4522 18.9586 18.9586 k = 0.3190-0.1842 0.2604 ( 2502 PWs) bands (ev): -44.8463 -44.8463 -43.0223 -43.0223 -42.9694 -42.9694 -17.0094 -17.0094 -16.8688 -16.8688 -16.7930 -16.7930 -15.1771 -15.1771 -15.1455 -15.1455 -15.0226 -15.0226 -14.8651 -14.8651 -14.8472 -14.8472 -14.7548 -14.7548 -2.5429 -2.5429 6.7135 6.7135 8.2791 8.2791 8.2844 8.2844 13.1526 13.1526 16.3328 16.3328 16.4919 16.4919 18.9821 18.9825 k = 0.3276-0.1891 0.2675 ( 2494 PWs) bands (ev): -44.8457 -44.8457 -43.0220 -43.0220 -42.9703 -42.9703 -17.0111 -17.0111 -16.8714 -16.8714 -16.7927 -16.7927 -15.1875 -15.1875 -15.1423 -15.1423 -15.0204 -15.0204 -14.8573 -14.8573 -14.8485 -14.8485 -14.7552 -14.7552 -2.5240 -2.5240 6.6866 6.6866 8.2680 8.2680 8.2731 8.2731 13.1363 13.1363 16.2791 16.2791 16.5407 16.5407 19.0050 19.0057 k = 0.3362-0.1941 0.2745 ( 2494 PWs) bands (ev): -44.8451 -44.8451 -43.0217 -43.0217 -42.9711 -42.9711 -17.0128 -17.0128 -16.8741 -16.8741 -16.7925 -16.7925 -15.1977 -15.1977 -15.1392 -15.1392 -15.0182 -15.0182 -14.8499 -14.8499 -14.8496 -14.8496 -14.7558 -14.7558 -2.5058 -2.5058 6.6619 6.6619 8.2573 8.2573 8.2622 8.2622 13.1140 13.1140 16.2274 16.2274 16.5975 16.5975 19.0268 19.0280 k = 0.3448-0.1991 0.2816 ( 2494 PWs) bands (ev): -44.8446 -44.8446 -43.0214 -43.0214 -42.9720 -42.9720 -17.0144 -17.0144 -16.8766 -16.8766 -16.7922 -16.7922 -15.2077 -15.2077 -15.1361 -15.1361 -15.0159 -15.0159 -14.8513 -14.8513 -14.8422 -14.8422 -14.7563 -14.7563 -2.4883 -2.4883 6.6393 6.6393 8.2470 8.2470 8.2518 8.2518 13.0869 13.0869 16.1778 16.1778 16.6613 16.6613 19.0485 19.0496 k = 0.3534-0.2041 0.2886 ( 2494 PWs) bands (ev): -44.8441 -44.8441 -43.0211 -43.0211 -42.9727 -42.9727 -17.0160 -17.0160 -16.8790 -16.8790 -16.7920 -16.7920 -15.2174 -15.2174 -15.1332 -15.1332 -15.0137 -15.0137 -14.8527 -14.8527 -14.8350 -14.8350 -14.7569 -14.7569 -2.4715 -2.4715 6.6186 6.6186 8.2371 8.2371 8.2417 8.2417 13.0558 13.0558 16.1303 16.1303 16.7309 16.7309 19.0685 19.0704 k = 0.3621-0.2090 0.2956 ( 2490 PWs) bands (ev): -44.8436 -44.8436 -43.0208 -43.0208 -42.9735 -42.9735 -17.0175 -17.0175 -16.8813 -16.8813 -16.7917 -16.7917 -15.2266 -15.2266 -15.1303 -15.1303 -15.0114 -15.0114 -14.8540 -14.8540 -14.8281 -14.8281 -14.7574 -14.7574 -2.4555 -2.4555 6.5999 6.5999 8.2277 8.2277 8.2322 8.2322 13.0218 13.0218 16.0851 16.0851 16.8053 16.8053 19.0879 19.0879 k = 0.3707-0.2140 0.3027 ( 2490 PWs) bands (ev): -44.8431 -44.8431 -43.0206 -43.0206 -42.9742 -42.9742 -17.0189 -17.0189 -16.8835 -16.8835 -16.7915 -16.7915 -15.2358 -15.2358 -15.1275 -15.1275 -15.0091 -15.0091 -14.8554 -14.8554 -14.8214 -14.8214 -14.7580 -14.7580 -2.4402 -2.4402 6.5829 6.5829 8.2187 8.2187 8.2231 8.2231 12.9858 12.9858 16.0422 16.0422 16.8834 16.8834 19.1066 19.1066 k = 0.3793-0.2190 0.3097 ( 2490 PWs) bands (ev): -44.8427 -44.8427 -43.0203 -43.0203 -42.9749 -42.9749 -17.0203 -17.0203 -16.8856 -16.8856 -16.7912 -16.7912 -15.2442 -15.2442 -15.1249 -15.1249 -15.0069 -15.0069 -14.8568 -14.8568 -14.8151 -14.8151 -14.7586 -14.7586 -2.4259 -2.4259 6.5677 6.5677 8.2103 8.2103 8.2145 8.2145 12.9486 12.9486 16.0017 16.0017 16.9640 16.9640 19.1243 19.1243 k = 0.3879-0.2240 0.3167 ( 2494 PWs) bands (ev): -44.8423 -44.8423 -43.0201 -43.0201 -42.9756 -42.9756 -17.0217 -17.0217 -16.8876 -16.8876 -16.7910 -16.7910 -15.2521 -15.2521 -15.1225 -15.1225 -15.0048 -15.0048 -14.8580 -14.8580 -14.8093 -14.8093 -14.7592 -14.7592 -2.4123 -2.4123 6.5542 6.5542 8.2024 8.2024 8.2065 8.2065 12.9109 12.9109 15.9636 15.9636 17.0460 17.0460 19.1410 19.1410 k = 0.3966-0.2289 0.3238 ( 2498 PWs) bands (ev): -44.8419 -44.8419 -43.0198 -43.0198 -42.9762 -42.9762 -17.0230 -17.0230 -16.8895 -16.8895 -16.7908 -16.7908 -15.2598 -15.2598 -15.1202 -15.1202 -15.0027 -15.0027 -14.8593 -14.8593 -14.8037 -14.8037 -14.7597 -14.7597 -2.3997 -2.3997 6.5421 6.5421 8.1950 8.1950 8.1989 8.1989 12.8735 12.8735 15.9282 15.9282 17.1285 17.1285 19.1569 19.1603 k = 0.4052-0.2339 0.3308 ( 2498 PWs) bands (ev): -44.8415 -44.8415 -43.0196 -43.0196 -42.9767 -42.9767 -17.0241 -17.0241 -16.8913 -16.8913 -16.7905 -16.7905 -15.2669 -15.2669 -15.1180 -15.1180 -15.0008 -15.0008 -14.8605 -14.8605 -14.7984 -14.7984 -14.7602 -14.7602 -2.3880 -2.3880 6.5315 6.5315 8.1881 8.1881 8.1920 8.1920 12.8370 12.8370 15.8953 15.8953 17.2103 17.2103 19.1712 19.1712 k = 0.4138-0.2389 0.3379 ( 2498 PWs) bands (ev): -44.8412 -44.8412 -43.0194 -43.0194 -42.9772 -42.9772 -17.0252 -17.0252 -16.8929 -16.8929 -16.7903 -16.7903 -15.2734 -15.2734 -15.1160 -15.1160 -14.9989 -14.9989 -14.8617 -14.8617 -14.7936 -14.7936 -14.7608 -14.7608 -2.3773 -2.3773 6.5222 6.5222 8.1818 8.1818 8.1856 8.1856 12.8019 12.8019 15.8651 15.8651 17.2905 17.2905 19.1847 19.1847 k = 0.4224-0.2439 0.3449 ( 2490 PWs) bands (ev): -44.8408 -44.8408 -43.0193 -43.0193 -42.9777 -42.9777 -17.0262 -17.0262 -16.8943 -16.8943 -16.7900 -16.7900 -15.2793 -15.2793 -15.1141 -15.1141 -14.9971 -14.9971 -14.8628 -14.8628 -14.7889 -14.7889 -14.7612 -14.7612 -2.3675 -2.3675 6.5141 6.5141 8.1760 8.1760 8.1797 8.1797 12.7688 12.7688 15.8376 15.8376 17.3678 17.3678 19.1970 19.1970 k = 0.4310-0.2489 0.3519 ( 2490 PWs) bands (ev): -44.8406 -44.8406 -43.0191 -43.0191 -42.9781 -42.9781 -17.0271 -17.0271 -16.8956 -16.8956 -16.7898 -16.7898 -15.2847 -15.2847 -15.1124 -15.1124 -14.9954 -14.9954 -14.8638 -14.8638 -14.7849 -14.7849 -14.7617 -14.7617 -2.3587 -2.3587 6.5072 6.5072 8.1709 8.1709 8.1745 8.1745 12.7381 12.7381 15.8129 15.8129 17.4413 17.4413 19.2082 19.2082 k = 0.4397-0.2538 0.3590 ( 2482 PWs) bands (ev): -44.8403 -44.8403 -43.0189 -43.0189 -42.9785 -42.9785 -17.0278 -17.0278 -16.8968 -16.8968 -16.7895 -16.7895 -15.2893 -15.2893 -15.1109 -15.1109 -14.9939 -14.9939 -14.8647 -14.8647 -14.7812 -14.7812 -14.7621 -14.7621 -2.3509 -2.3509 6.5014 6.5014 8.1663 8.1663 8.1699 8.1699 12.7101 12.7101 15.7910 15.7910 17.5097 17.5097 19.2181 19.2181 k = 0.4483-0.2588 0.3660 ( 2486 PWs) bands (ev): -44.8401 -44.8401 -43.0188 -43.0188 -42.9789 -42.9789 -17.0286 -17.0286 -16.8979 -16.8979 -16.7893 -16.7893 -15.2935 -15.2935 -15.1097 -15.1097 -14.9926 -14.9926 -14.8655 -14.8655 -14.7781 -14.7781 -14.7625 -14.7625 -2.3441 -2.3441 6.4965 6.4965 8.1623 8.1623 8.1658 8.1658 12.6852 12.6852 15.7720 15.7720 17.5720 17.5720 19.2267 19.2267 k = 0.4569-0.2638 0.3731 ( 2486 PWs) bands (ev): -44.8399 -44.8399 -43.0187 -43.0187 -42.9791 -42.9791 -17.0292 -17.0292 -16.8987 -16.8987 -16.7892 -16.7892 -15.2971 -15.2971 -15.1085 -15.1085 -14.9915 -14.9915 -14.8663 -14.8663 -14.7753 -14.7753 -14.7629 -14.7629 -2.3383 -2.3383 6.4925 6.4925 8.1589 8.1589 8.1624 8.1624 12.6637 12.6637 15.7558 15.7558 17.6271 17.6271 19.2341 19.2341 k = 0.4655-0.2688 0.3801 ( 2490 PWs) bands (ev): -44.8397 -44.8397 -43.0186 -43.0186 -42.9794 -42.9794 -17.0297 -17.0297 -16.8995 -16.8995 -16.7891 -16.7891 -15.3002 -15.3002 -15.1076 -15.1076 -14.9905 -14.9905 -14.8669 -14.8669 -14.7730 -14.7730 -14.7633 -14.7633 -2.3336 -2.3336 6.4893 6.4893 8.1561 8.1561 8.1595 8.1595 12.6458 12.6458 15.7425 15.7425 17.6739 17.6739 19.2402 19.2402 k = 0.4741-0.2737 0.3871 ( 2490 PWs) bands (ev): -44.8396 -44.8396 -43.0186 -43.0186 -42.9796 -42.9796 -17.0301 -17.0301 -16.9000 -16.9000 -16.7890 -16.7890 -15.3024 -15.3024 -15.1069 -15.1069 -14.9898 -14.9898 -14.8674 -14.8674 -14.7711 -14.7711 -14.7637 -14.7637 -2.3299 -2.3299 6.4868 6.4868 8.1540 8.1540 8.1573 8.1573 12.6316 12.6316 15.7322 15.7322 17.7115 17.7115 19.2449 19.2449 k = 0.4828-0.2787 0.3942 ( 2498 PWs) bands (ev): -44.8396 -44.8396 -43.0185 -43.0185 -42.9797 -42.9797 -17.0304 -17.0304 -16.9004 -16.9004 -16.7891 -16.7891 -15.3041 -15.3041 -15.1064 -15.1064 -14.9893 -14.9893 -14.8677 -14.8677 -14.7699 -14.7699 -14.7640 -14.7640 -2.3272 -2.3272 6.4851 6.4851 8.1524 8.1524 8.1558 8.1558 12.6214 12.6214 15.7247 15.7247 17.7389 17.7389 19.2483 19.2483 k = 0.4914-0.2837 0.4012 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9007 -16.9007 -16.7890 -16.7890 -15.3051 -15.3051 -15.1061 -15.1061 -14.9889 -14.9889 -14.8679 -14.8679 -14.7690 -14.7690 -14.7643 -14.7643 -2.3257 -2.3257 6.4841 6.4841 8.1515 8.1515 8.1548 8.1548 12.6153 12.6153 15.7203 15.7203 17.7557 17.7557 19.2503 19.2503 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9008 -16.9008 -16.7890 -16.7890 -15.3054 -15.3054 -15.1060 -15.1060 -14.9888 -14.9888 -14.8680 -14.8680 -14.7686 -14.7686 -14.7644 -14.7644 -2.3251 -2.3251 6.4838 6.4838 8.1512 8.1512 8.1545 8.1545 12.6132 12.6132 15.7188 15.7188 17.7613 17.7613 19.2510 19.2510 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9008 -16.9008 -16.7890 -16.7890 -15.3054 -15.3054 -15.1060 -15.1060 -14.9888 -14.9888 -14.8680 -14.8680 -14.7686 -14.7686 -14.7644 -14.7644 -2.3251 -2.3251 6.4838 6.4838 8.1512 8.1512 8.1545 8.1545 12.6132 12.6132 15.7188 15.7188 17.7613 17.7613 19.2510 19.2510 k = 0.5000-0.2787 0.4153 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9007 -16.9007 -16.7891 -16.7891 -15.3053 -15.3053 -15.1060 -15.1060 -14.9888 -14.9888 -14.8681 -14.8681 -14.7687 -14.7687 -14.7645 -14.7645 -2.3251 -2.3251 6.4848 6.4848 8.1498 8.1498 8.1532 8.1532 12.6164 12.6164 15.7213 15.7213 17.7605 17.7605 19.2432 19.2432 k = 0.5000-0.2688 0.4223 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0184 -43.0184 -42.9799 -42.9799 -17.0305 -17.0305 -16.9006 -16.9006 -16.7893 -16.7893 -15.3048 -15.3048 -15.1060 -15.1060 -14.9888 -14.9888 -14.8682 -14.8682 -14.7687 -14.7687 -14.7647 -14.7647 -2.3249 -2.3249 6.4877 6.4877 8.1455 8.1455 8.1495 8.1495 12.6257 12.6257 15.7288 15.7288 17.7582 17.7582 19.2148 19.2148 k = 0.5000-0.2588 0.4294 ( 2492 PWs) bands (ev): -44.8395 -44.8395 -43.0182 -43.0182 -42.9800 -42.9800 -17.0303 -17.0303 -16.9002 -16.9002 -16.7897 -16.7897 -15.3042 -15.3042 -15.1059 -15.1059 -14.9887 -14.9887 -14.8686 -14.8686 -14.7688 -14.7688 -14.7651 -14.7651 -2.3247 -2.3247 6.4926 6.4926 8.1378 8.1378 8.1439 8.1439 12.6413 12.6413 15.7413 15.7413 17.7543 17.7543 19.1683 19.1683 k = 0.5000-0.2489 0.4364 ( 2492 PWs) bands (ev): -44.8395 -44.8395 -43.0180 -43.0180 -42.9802 -42.9802 -17.0302 -17.0302 -16.8999 -16.8999 -16.7902 -16.7902 -15.3032 -15.3032 -15.1059 -15.1059 -14.9886 -14.9886 -14.8690 -14.8690 -14.7690 -14.7690 -14.7656 -14.7656 -2.3244 -2.3244 6.4994 6.4994 8.1267 8.1267 8.1364 8.1364 12.6628 12.6628 15.7587 15.7587 17.7489 17.7489 19.1059 19.1059 k = 0.5000-0.2389 0.4434 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -43.0178 -43.0178 -42.9805 -42.9805 -17.0300 -17.0300 -16.8995 -16.8995 -16.7908 -16.7908 -15.3020 -15.3020 -15.1058 -15.1058 -14.9884 -14.9884 -14.8696 -14.8696 -14.7691 -14.7691 -14.7662 -14.7662 -2.3240 -2.3240 6.5081 6.5081 8.1125 8.1125 8.1272 8.1272 12.6903 12.6903 15.7808 15.7808 17.7418 17.7418 19.0298 19.0298 k = 0.5000-0.2289 0.4505 ( 2492 PWs) bands (ev): -44.8395 -44.8395 -43.0175 -43.0175 -42.9808 -42.9808 -17.0298 -17.0298 -16.8990 -16.8990 -16.7916 -16.7916 -15.3005 -15.3005 -15.1058 -15.1058 -14.9883 -14.9883 -14.8704 -14.8704 -14.7694 -14.7694 -14.7670 -14.7670 -2.3235 -2.3235 6.5188 6.5188 8.0952 8.0952 8.1164 8.1164 12.7234 12.7234 15.8075 15.8075 17.7332 17.7332 18.9422 18.9422 k = 0.5000-0.2190 0.4575 ( 2490 PWs) bands (ev): -44.8395 -44.8395 -43.0171 -43.0171 -42.9812 -42.9812 -17.0295 -17.0295 -16.8984 -16.8984 -16.7925 -16.7925 -15.2988 -15.2988 -15.1059 -15.1059 -14.9880 -14.9880 -14.8712 -14.8712 -14.7697 -14.7697 -14.7678 -14.7678 -2.3230 -2.3230 6.5313 6.5313 8.0750 8.0750 8.1040 8.1040 12.7620 12.7620 15.8386 15.8386 17.7230 17.7230 18.8452 18.8452 k = 0.5000-0.2090 0.4646 ( 2492 PWs) bands (ev): -44.8395 -44.8395 -43.0167 -43.0167 -42.9816 -42.9816 -17.0292 -17.0292 -16.8977 -16.8977 -16.7936 -16.7936 -15.2969 -15.2969 -15.1059 -15.1059 -14.9877 -14.9877 -14.8723 -14.8723 -14.7699 -14.7699 -14.7687 -14.7687 -2.3224 -2.3224 6.5458 6.5458 8.0521 8.0521 8.0902 8.0902 12.8057 12.8057 15.8739 15.8739 17.7113 17.7113 18.7407 18.7407 k = 0.5000-0.1991 0.4716 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0163 -43.0163 -42.9820 -42.9820 -17.0289 -17.0289 -16.8970 -16.8970 -16.7948 -16.7948 -15.2947 -15.2947 -15.1061 -15.1061 -14.9873 -14.9873 -14.8735 -14.8735 -14.7704 -14.7704 -14.7697 -14.7697 -2.3217 -2.3217 6.5620 6.5620 8.0265 8.0265 8.0753 8.0753 12.8542 12.8542 15.9131 15.9131 17.6978 17.6978 18.6304 18.6304 k = 0.5000-0.1891 0.4786 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0157 -43.0157 -42.9826 -42.9826 -17.0286 -17.0286 -16.8961 -16.8961 -16.7961 -16.7961 -15.2924 -15.2924 -15.1063 -15.1063 -14.9867 -14.9867 -14.8748 -14.8748 -14.7711 -14.7711 -14.7705 -14.7705 -2.3209 -2.3209 6.5802 6.5802 7.9984 7.9984 8.0595 8.0595 12.9072 12.9072 15.9561 15.9561 17.6828 17.6828 18.5157 18.5157 k = 0.5000-0.1792 0.4857 ( 2504 PWs) bands (ev): -44.8395 -44.8395 -43.0152 -43.0152 -42.9831 -42.9831 -17.0283 -17.0283 -16.8951 -16.8951 -16.7976 -16.7976 -15.2899 -15.2899 -15.1067 -15.1067 -14.9859 -14.9859 -14.8765 -14.8765 -14.7722 -14.7722 -14.7711 -14.7711 -2.3202 -2.3202 6.6001 6.6001 7.9680 7.9680 8.0429 8.0429 12.9643 12.9643 16.0025 16.0025 17.6661 17.6661 18.3977 18.3977 k = 0.5000-0.1692 0.4927 ( 2504 PWs) bands (ev): -44.8395 -44.8395 -43.0146 -43.0146 -42.9837 -42.9837 -17.0279 -17.0279 -16.8940 -16.8940 -16.7992 -16.7992 -15.2872 -15.2872 -15.1071 -15.1071 -14.9850 -14.9850 -14.8783 -14.8783 -14.7732 -14.7732 -14.7717 -14.7717 -2.3194 -2.3194 6.6218 6.6218 7.9354 7.9354 8.0258 8.0258 13.0250 13.0250 16.0520 16.0520 17.6477 17.6477 18.2778 18.2778 k = 0.5000-0.1593 0.4998 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0139 -43.0139 -42.9844 -42.9844 -17.0275 -17.0275 -16.8928 -16.8928 -16.8008 -16.8008 -15.2843 -15.2843 -15.1076 -15.1076 -14.9837 -14.9837 -14.8802 -14.8802 -14.7743 -14.7743 -14.7722 -14.7722 -2.3185 -2.3185 6.6452 6.6452 7.9009 7.9009 8.0085 8.0085 13.0889 13.0889 16.1043 16.1043 17.6276 17.6276 18.1567 18.1567 k = 0.5000-0.1493 0.5068 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0132 -43.0132 -42.9851 -42.9851 -17.0271 -17.0271 -16.8915 -16.8915 -16.8025 -16.8025 -15.2813 -15.2813 -15.1083 -15.1083 -14.9823 -14.9823 -14.8823 -14.8823 -14.7752 -14.7752 -14.7727 -14.7727 -2.3177 -2.3177 6.6703 6.6703 7.8645 7.8645 7.9910 7.9910 13.1556 13.1556 16.1590 16.1590 17.6058 17.6058 18.0354 18.0354 k = 0.5000-0.1394 0.5138 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0125 -43.0125 -42.9858 -42.9858 -17.0268 -17.0268 -16.8901 -16.8901 -16.8043 -16.8043 -15.2782 -15.2782 -15.1092 -15.1092 -14.9808 -14.9808 -14.8847 -14.8847 -14.7762 -14.7762 -14.7733 -14.7733 -2.3168 -2.3168 6.6971 6.6971 7.8265 7.8265 7.9737 7.9737 13.2244 13.2244 16.2159 16.2159 17.5822 17.5822 17.9148 17.9148 k = 0.5000-0.1294 0.5209 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0117 -43.0117 -42.9866 -42.9866 -17.0264 -17.0264 -16.8887 -16.8887 -16.8062 -16.8062 -15.2751 -15.2751 -15.1102 -15.1102 -14.9789 -14.9789 -14.8874 -14.8874 -14.7772 -14.7772 -14.7739 -14.7739 -2.3160 -2.3160 6.7255 6.7255 7.7870 7.7870 7.9566 7.9566 13.2948 13.2948 16.2745 16.2745 17.5568 17.5568 17.7957 17.7957 k = 0.5000-0.1195 0.5279 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0109 -43.0109 -42.9875 -42.9875 -17.0261 -17.0261 -16.8872 -16.8872 -16.8081 -16.8081 -15.2719 -15.2719 -15.1114 -15.1114 -14.9770 -14.9770 -14.8901 -14.8901 -14.7780 -14.7780 -14.7745 -14.7745 -2.3151 -2.3151 6.7555 6.7555 7.7463 7.7463 7.9400 7.9400 13.3661 13.3661 16.3345 16.3345 17.5296 17.5296 17.6789 17.6789 k = 0.5000-0.1095 0.5349 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0100 -43.0100 -42.9883 -42.9883 -17.0258 -17.0258 -16.8857 -16.8857 -16.8100 -16.8100 -15.2687 -15.2687 -15.1126 -15.1126 -14.9746 -14.9746 -14.8931 -14.8931 -14.7787 -14.7787 -14.7751 -14.7751 -2.3143 -2.3143 6.7869 6.7869 7.7044 7.7044 7.9242 7.9242 13.4377 13.4377 16.3956 16.3956 17.5004 17.5004 17.5653 17.5653 k = 0.5000-0.0995 0.5420 ( 2512 PWs) bands (ev): -44.8395 -44.8395 -43.0092 -43.0092 -42.9892 -42.9892 -17.0256 -17.0256 -16.8842 -16.8842 -16.8121 -16.8121 -15.2657 -15.2657 -15.1140 -15.1140 -14.9721 -14.9721 -14.8964 -14.8964 -14.7795 -14.7795 -14.7757 -14.7757 -2.3135 -2.3135 6.8199 6.8199 7.6615 7.6615 7.9091 7.9091 13.5086 13.5086 16.4574 16.4574 17.4552 17.4552 17.4698 17.4698 k = 0.5000-0.0896 0.5490 ( 2510 PWs) bands (ev): -44.8395 -44.8395 -43.0083 -43.0083 -42.9901 -42.9901 -17.0253 -17.0253 -16.8826 -16.8826 -16.8140 -16.8140 -15.2627 -15.2627 -15.1153 -15.1153 -14.9693 -14.9693 -14.8998 -14.8998 -14.7800 -14.7800 -14.7763 -14.7763 -2.3128 -2.3128 6.8542 6.8542 7.6179 7.6179 7.8951 7.8951 13.5781 13.5781 16.5196 16.5196 17.3510 17.3510 17.4366 17.4366 k = 0.5000-0.0796 0.5561 ( 2506 PWs) bands (ev): -44.8395 -44.8395 -43.0073 -43.0073 -42.9911 -42.9911 -17.0250 -17.0250 -16.8809 -16.8809 -16.8159 -16.8159 -15.2598 -15.2598 -15.1168 -15.1168 -14.9662 -14.9662 -14.9033 -14.9033 -14.7804 -14.7804 -14.7769 -14.7769 -2.3121 -2.3121 6.8899 6.8899 7.5736 7.5736 7.8821 7.8821 13.6452 13.6452 16.5818 16.5818 17.2525 17.2525 17.4016 17.4016 k = 0.5000-0.0697 0.5631 ( 2506 PWs) bands (ev): -44.8395 -44.8395 -43.0064 -43.0064 -42.9920 -42.9920 -17.0248 -17.0248 -16.8794 -16.8794 -16.8177 -16.8177 -15.2570 -15.2570 -15.1182 -15.1182 -14.9630 -14.9630 -14.9071 -14.9071 -14.7808 -14.7808 -14.7775 -14.7775 -2.3115 -2.3115 6.9268 6.9268 7.5289 7.5289 7.8704 7.8704 13.7087 13.7087 16.6438 16.6438 17.1611 17.1611 17.3646 17.3646 k = 0.5000-0.0597 0.5701 ( 2506 PWs) bands (ev): -44.8395 -44.8395 -43.0054 -43.0054 -42.9930 -42.9930 -17.0246 -17.0246 -16.8779 -16.8779 -16.8195 -16.8195 -15.2546 -15.2546 -15.1195 -15.1195 -14.9595 -14.9595 -14.9110 -14.9110 -14.7810 -14.7810 -14.7780 -14.7780 -2.3109 -2.3109 6.9649 6.9649 7.4838 7.4838 7.8601 7.8601 13.7675 13.7675 16.7051 16.7051 17.0782 17.0782 17.3256 17.3256 k = 0.5000-0.0498 0.5772 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0044 -43.0044 -42.9940 -42.9940 -17.0244 -17.0244 -16.8764 -16.8764 -16.8211 -16.8211 -15.2523 -15.2523 -15.1208 -15.1208 -14.9559 -14.9559 -14.9148 -14.9148 -14.7812 -14.7812 -14.7786 -14.7786 -2.3104 -2.3104 7.0042 7.0042 7.4386 7.4386 7.8512 7.8512 13.8204 13.8204 16.7656 16.7656 17.0049 17.0049 17.2845 17.2845 k = 0.5000-0.0398 0.5842 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0033 -43.0033 -42.9950 -42.9950 -17.0242 -17.0242 -16.8752 -16.8752 -16.8224 -16.8224 -15.2503 -15.2503 -15.1218 -15.1218 -14.9521 -14.9521 -14.9188 -14.9188 -14.7812 -14.7812 -14.7791 -14.7791 -2.3100 -2.3100 7.0445 7.0445 7.3933 7.3933 7.8438 7.8438 13.8660 13.8660 16.8250 16.8250 16.9427 16.9427 17.2414 17.2414 k = 0.5000-0.0299 0.5913 ( 2500 PWs) bands (ev): -44.8395 -44.8395 -43.0023 -43.0023 -42.9961 -42.9961 -17.0242 -17.0242 -16.8742 -16.8742 -16.8235 -16.8235 -15.2487 -15.2487 -15.1228 -15.1228 -14.9482 -14.9482 -14.9230 -14.9230 -14.7813 -14.7813 -14.7795 -14.7795 -2.3097 -2.3097 7.0858 7.0858 7.3482 7.3482 7.8379 7.8379 13.9031 13.9031 16.8819 16.8819 16.8938 16.8938 17.1961 17.1961 k = 0.5000-0.0199 0.5983 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0013 -43.0013 -42.9971 -42.9971 -17.0240 -17.0240 -16.8734 -16.8734 -16.8243 -16.8243 -15.2476 -15.2476 -15.1235 -15.1235 -14.9442 -14.9442 -14.9272 -14.9272 -14.7812 -14.7812 -14.7798 -14.7798 -2.3095 -2.3095 7.1279 7.1279 7.3032 7.3032 7.8338 7.8338 13.9306 13.9306 16.8555 16.8555 16.9401 16.9401 17.1488 17.1488 k = 0.5000-0.0100 0.6053 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -43.0002 -43.0002 -42.9981 -42.9981 -17.0239 -17.0239 -16.8728 -16.8728 -16.8248 -16.8248 -15.2468 -15.2468 -15.1238 -15.1238 -14.9402 -14.9402 -14.9312 -14.9312 -14.7811 -14.7811 -14.7801 -14.7801 -2.3093 -2.3093 7.1708 7.1708 7.2586 7.2586 7.8312 7.8312 13.9474 13.9474 16.8331 16.8331 16.9950 16.9950 17.0995 17.0995 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9992 -42.9992 -17.0239 -17.0239 -16.8727 -16.8727 -16.8250 -16.8250 -15.2466 -15.2466 -15.1240 -15.1240 -14.9374 -14.9374 -14.9341 -14.9341 -14.7810 -14.7810 -14.7802 -14.7802 -2.3093 -2.3093 7.2128 7.2128 7.2161 7.2161 7.8304 7.8304 13.9531 13.9531 16.8255 16.8255 17.0474 17.0474 17.0490 17.0490 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9992 -42.9992 -17.0239 -17.0239 -16.8727 -16.8727 -16.8250 -16.8250 -15.2466 -15.2466 -15.1240 -15.1240 -14.9374 -14.9374 -14.9341 -14.9341 -14.7810 -14.7810 -14.7802 -14.7802 -2.3093 -2.3093 7.2128 7.2128 7.2161 7.2161 7.8304 7.8304 13.9531 13.9531 16.8255 16.8255 17.0474 17.0474 17.0490 17.0490 k = 0.4940 0.0103 0.6124 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9999 -42.9999 -42.9985 -42.9985 -17.0239 -17.0239 -16.8727 -16.8727 -16.8249 -16.8249 -15.2466 -15.2466 -15.1239 -15.1239 -14.9391 -14.9391 -14.9324 -14.9324 -14.7812 -14.7812 -14.7801 -14.7801 -2.3094 -2.3094 7.1846 7.1846 7.2432 7.2432 7.8325 7.8325 13.9514 13.9514 16.8131 16.8131 17.0274 17.0274 17.0840 17.0840 k = 0.4881 0.0206 0.6124 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0006 -43.0006 -42.9978 -42.9978 -17.0239 -17.0239 -16.8730 -16.8730 -16.8248 -16.8248 -15.2468 -15.2468 -15.1237 -15.1237 -14.9418 -14.9418 -14.9298 -14.9298 -14.7816 -14.7816 -14.7799 -14.7799 -2.3098 -2.3098 7.1558 7.1558 7.2685 7.2685 7.8389 7.8389 13.9461 13.9461 16.7759 16.7759 17.0371 17.0371 17.1190 17.1190 k = 0.4821 0.0309 0.6124 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0012 -43.0012 -42.9971 -42.9971 -17.0239 -17.0239 -16.8733 -16.8733 -16.8244 -16.8244 -15.2469 -15.2469 -15.1233 -15.1233 -14.9446 -14.9446 -14.9270 -14.9270 -14.7821 -14.7821 -14.7796 -14.7796 -2.3103 -2.3103 7.1281 7.1281 7.2899 7.2899 7.8501 7.8501 13.9373 13.9373 16.7243 16.7243 17.0678 17.0678 17.1531 17.1531 k = 0.4762 0.0412 0.6124 ( 2502 PWs) bands (ev): -44.8395 -44.8395 -43.0019 -43.0019 -42.9965 -42.9965 -17.0238 -17.0238 -16.8738 -16.8738 -16.8239 -16.8239 -15.2472 -15.2472 -15.1227 -15.1227 -14.9474 -14.9474 -14.9243 -14.9243 -14.7828 -14.7828 -14.7793 -14.7793 -2.3110 -2.3110 7.1016 7.1016 7.3071 7.3071 7.8660 7.8660 13.9253 13.9253 16.6675 16.6675 17.1105 17.1105 17.1861 17.1861 k = 0.4702 0.0515 0.6124 ( 2500 PWs) bands (ev): -44.8396 -44.8396 -43.0025 -43.0025 -42.9958 -42.9958 -17.0237 -17.0237 -16.8742 -16.8742 -16.8233 -16.8233 -15.2474 -15.2474 -15.1219 -15.1219 -14.9502 -14.9502 -14.9216 -14.9216 -14.7836 -14.7836 -14.7790 -14.7790 -2.3118 -2.3118 7.0763 7.0763 7.3203 7.3203 7.8862 7.8862 13.9101 13.9101 16.6098 16.6098 17.1611 17.1611 17.2180 17.2180 k = 0.4643 0.0619 0.6124 ( 2505 PWs) bands (ev): -44.8396 -44.8396 -43.0030 -43.0030 -42.9953 -42.9953 -17.0236 -17.0236 -16.8748 -16.8748 -16.8226 -16.8226 -15.2478 -15.2478 -15.1210 -15.1210 -14.9531 -14.9531 -14.9191 -14.9191 -14.7845 -14.7845 -14.7787 -14.7787 -2.3128 -2.3128 7.0523 7.0523 7.3296 7.3296 7.9104 7.9104 13.8922 13.8922 16.5535 16.5535 17.2178 17.2178 17.2487 17.2487 k = 0.4583 0.0722 0.6124 ( 2508 PWs) bands (ev): -44.8396 -44.8396 -43.0036 -43.0036 -42.9947 -42.9947 -17.0235 -17.0235 -16.8755 -16.8755 -16.8218 -16.8218 -15.2482 -15.2482 -15.1200 -15.1200 -14.9558 -14.9558 -14.9166 -14.9166 -14.7854 -14.7854 -14.7783 -14.7783 -2.3138 -2.3138 7.0295 7.0295 7.3356 7.3356 7.9377 7.9377 13.8718 13.8718 16.4994 16.4994 17.2759 17.2759 17.2816 17.2816 k = 0.4524 0.0825 0.6124 ( 2510 PWs) bands (ev): -44.8397 -44.8397 -43.0041 -43.0041 -42.9942 -42.9942 -17.0233 -17.0233 -16.8762 -16.8762 -16.8210 -16.8210 -15.2487 -15.2487 -15.1187 -15.1187 -14.9585 -14.9585 -14.9142 -14.9142 -14.7864 -14.7864 -14.7780 -14.7780 -2.3149 -2.3149 7.0082 7.0082 7.3389 7.3389 7.9672 7.9672 13.8495 13.8495 16.4484 16.4484 17.3050 17.3050 17.3466 17.3466 k = 0.4464 0.0928 0.6124 ( 2508 PWs) bands (ev): -44.8397 -44.8397 -43.0045 -43.0045 -42.9937 -42.9937 -17.0232 -17.0232 -16.8769 -16.8769 -16.8202 -16.8202 -15.2492 -15.2492 -15.1174 -15.1174 -14.9610 -14.9610 -14.9119 -14.9119 -14.7874 -14.7874 -14.7777 -14.7777 -2.3159 -2.3159 6.9882 6.9882 7.3400 7.3400 7.9983 7.9983 13.8257 13.8257 16.4006 16.4006 17.3310 17.3310 17.4172 17.4172 k = 0.4405 0.1031 0.6124 ( 2507 PWs) bands (ev): -44.8398 -44.8398 -43.0050 -43.0050 -42.9932 -42.9932 -17.0230 -17.0230 -16.8776 -16.8776 -16.8193 -16.8193 -15.2498 -15.2498 -15.1160 -15.1160 -14.9635 -14.9635 -14.9096 -14.9096 -14.7885 -14.7885 -14.7774 -14.7774 -2.3170 -2.3170 6.9697 6.9697 7.3395 7.3395 8.0299 8.0299 13.8009 13.8009 16.3565 16.3565 17.3553 17.3553 17.4916 17.4916 k = 0.4345 0.1134 0.6124 ( 2509 PWs) bands (ev): -44.8398 -44.8398 -43.0054 -43.0054 -42.9928 -42.9928 -17.0228 -17.0228 -16.8783 -16.8783 -16.8184 -16.8184 -15.2503 -15.2503 -15.1145 -15.1145 -14.9659 -14.9659 -14.9076 -14.9076 -14.7895 -14.7895 -14.7771 -14.7771 -2.3181 -2.3181 6.9527 6.9527 7.3378 7.3378 8.0613 8.0613 13.7757 13.7757 16.3161 16.3161 17.3777 17.3777 17.5696 17.5696 k = 0.4286 0.1237 0.6124 ( 2505 PWs) bands (ev): -44.8398 -44.8398 -43.0057 -43.0057 -42.9924 -42.9924 -17.0226 -17.0226 -16.8790 -16.8790 -16.8176 -16.8176 -15.2508 -15.2508 -15.1130 -15.1130 -14.9682 -14.9682 -14.9055 -14.9055 -14.7905 -14.7905 -14.7768 -14.7768 -2.3192 -2.3192 6.9372 6.9372 7.3354 7.3354 8.0919 8.0919 13.7507 13.7507 16.2796 16.2796 17.3981 17.3981 17.6507 17.6507 k = 0.4226 0.1340 0.6124 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0060 -43.0060 -42.9920 -42.9920 -17.0225 -17.0225 -16.8796 -16.8796 -16.8168 -16.8168 -15.2514 -15.2514 -15.1116 -15.1116 -14.9703 -14.9703 -14.9037 -14.9037 -14.7916 -14.7916 -14.7766 -14.7766 -2.3201 -2.3201 6.9232 6.9232 7.3325 7.3325 8.1209 8.1209 13.7264 13.7264 16.2470 16.2470 17.4166 17.4166 17.7346 17.7346 k = 0.4167 0.1443 0.6124 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0063 -43.0063 -42.9917 -42.9917 -17.0223 -17.0223 -16.8802 -16.8802 -16.8161 -16.8161 -15.2519 -15.2519 -15.1102 -15.1102 -14.9722 -14.9722 -14.9021 -14.9021 -14.7925 -14.7925 -14.7763 -14.7763 -2.3210 -2.3210 6.9108 6.9108 7.3295 7.3295 8.1478 8.1478 13.7034 13.7034 16.2182 16.2182 17.4331 17.4331 17.8209 17.8209 k = 0.4107 0.1546 0.6124 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0066 -43.0066 -42.9914 -42.9914 -17.0222 -17.0222 -16.8808 -16.8808 -16.8155 -16.8155 -15.2524 -15.2524 -15.1089 -15.1089 -14.9740 -14.9740 -14.9005 -14.9005 -14.7934 -14.7934 -14.7761 -14.7761 -2.3219 -2.3219 6.9001 6.9001 7.3265 7.3265 8.1722 8.1722 13.6823 13.6823 16.1934 16.1934 17.4475 17.4475 17.9091 17.9091 k = 0.4048 0.1650 0.6124 ( 2505 PWs) bands (ev): -44.8399 -44.8399 -43.0068 -43.0068 -42.9912 -42.9912 -17.0220 -17.0220 -16.8812 -16.8812 -16.8149 -16.8149 -15.2528 -15.2528 -15.1077 -15.1077 -14.9755 -14.9755 -14.8992 -14.8992 -14.7941 -14.7941 -14.7759 -14.7759 -2.3226 -2.3226 6.8909 6.8909 7.3238 7.3238 8.1936 8.1936 13.6634 13.6634 16.1725 16.1725 17.4597 17.4597 17.9987 17.9987 k = 0.3988 0.1753 0.6124 ( 2509 PWs) bands (ev): -44.8400 -44.8400 -43.0070 -43.0070 -42.9910 -42.9910 -17.0219 -17.0219 -16.8817 -16.8817 -16.8144 -16.8144 -15.2532 -15.2532 -15.1067 -15.1067 -14.9768 -14.9768 -14.8982 -14.8982 -14.7948 -14.7948 -14.7757 -14.7757 -2.3232 -2.3232 6.8834 6.8834 7.3214 7.3214 8.2116 8.2116 13.6474 13.6474 16.1554 16.1554 17.4698 17.4698 18.0884 18.0884 k = 0.3929 0.1856 0.6124 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0071 -43.0071 -42.9908 -42.9908 -17.0218 -17.0218 -16.8819 -16.8819 -16.8140 -16.8140 -15.2534 -15.2534 -15.1058 -15.1058 -14.9778 -14.9778 -14.8973 -14.8973 -14.7953 -14.7953 -14.7756 -14.7756 -2.3236 -2.3236 6.8775 6.8775 7.3194 7.3194 8.2259 8.2259 13.6345 13.6345 16.1422 16.1422 17.4777 17.4777 18.1766 18.1766 k = 0.3869 0.1959 0.6124 ( 2506 PWs) bands (ev): -44.8400 -44.8400 -43.0072 -43.0072 -42.9907 -42.9907 -17.0217 -17.0217 -16.8822 -16.8822 -16.8138 -16.8138 -15.2537 -15.2537 -15.1053 -15.1053 -14.9786 -14.9786 -14.8968 -14.8968 -14.7957 -14.7957 -14.7755 -14.7755 -2.3240 -2.3240 6.8733 6.8733 7.3179 7.3179 8.2363 8.2363 13.6251 13.6251 16.1327 16.1327 17.4833 17.4833 18.2591 18.2591 k = 0.3810 0.2062 0.6124 ( 2506 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9907 -42.9907 -17.0217 -17.0217 -16.8824 -16.8824 -16.8136 -16.8136 -15.2538 -15.2538 -15.1049 -15.1049 -14.9790 -14.9790 -14.8964 -14.8964 -14.7959 -14.7959 -14.7754 -14.7754 -2.3242 -2.3242 6.8708 6.8708 7.3171 7.3171 8.2426 8.2426 13.6193 13.6193 16.1271 16.1271 17.4867 17.4867 18.3259 18.3259 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.3690 0.2130 0.6025 ( 2506 PWs) bands (ev): -44.8401 -44.8401 -43.0062 -43.0062 -42.9916 -42.9916 -17.0209 -17.0209 -16.8807 -16.8807 -16.8153 -16.8153 -15.2493 -15.2493 -15.1048 -15.1048 -14.9777 -14.9777 -14.8992 -14.8992 -14.7992 -14.7992 -14.7757 -14.7757 -2.3261 -2.3261 6.9056 6.9056 7.2626 7.2626 8.2531 8.2531 13.6970 13.6970 16.0982 16.0982 17.4660 17.4660 18.2924 18.2924 k = 0.3629 0.2095 0.5926 ( 2510 PWs) bands (ev): -44.8402 -44.8402 -43.0052 -43.0052 -42.9926 -42.9926 -17.0201 -17.0201 -16.8789 -16.8789 -16.8171 -16.8171 -15.2448 -15.2448 -15.1048 -15.1048 -14.9761 -14.9761 -14.9023 -14.9023 -14.8025 -14.8025 -14.7761 -14.7761 -2.3283 -2.3283 6.9425 6.9425 7.2097 7.2097 8.2618 8.2618 13.7780 13.7780 16.0621 16.0621 17.4442 17.4442 18.2314 18.2314 k = 0.3569 0.2060 0.5827 ( 2506 PWs) bands (ev): -44.8403 -44.8403 -43.0040 -43.0040 -42.9936 -42.9936 -17.0193 -17.0193 -16.8771 -16.8771 -16.8187 -16.8187 -15.2399 -15.2399 -15.1049 -15.1049 -14.9744 -14.9744 -14.9054 -14.9054 -14.8059 -14.8059 -14.7764 -14.7764 -2.3310 -2.3310 6.9804 6.9804 7.1583 7.1583 8.2708 8.2708 13.8603 13.8603 16.0174 16.0174 17.4224 17.4224 18.1714 18.1714 k = 0.3508 0.2025 0.5729 ( 2514 PWs) bands (ev): -44.8405 -44.8405 -43.0029 -43.0029 -42.9946 -42.9946 -17.0185 -17.0185 -16.8753 -16.8753 -16.8204 -16.8204 -15.2352 -15.2352 -15.1050 -15.1050 -14.9724 -14.9724 -14.9088 -14.9088 -14.8097 -14.8097 -14.7767 -14.7767 -2.3342 -2.3342 7.0194 7.0194 7.1086 7.1086 8.2800 8.2800 13.9439 13.9439 15.9651 15.9651 17.4007 17.4007 18.1124 18.1124 k = 0.3448 0.1990 0.5630 ( 2512 PWs) bands (ev): -44.8406 -44.8406 -43.0017 -43.0017 -42.9957 -42.9957 -17.0176 -17.0176 -16.8733 -16.8733 -16.8220 -16.8220 -15.2303 -15.2303 -15.1051 -15.1051 -14.9704 -14.9704 -14.9122 -14.9122 -14.8133 -14.8133 -14.7769 -14.7769 -2.3379 -2.3379 7.0590 7.0590 7.0612 7.0612 8.2894 8.2894 14.0286 14.0286 15.9061 15.9061 17.3794 17.3794 18.0549 18.0549 k = 0.3387 0.1956 0.5531 ( 2512 PWs) bands (ev): -44.8408 -44.8408 -43.0005 -43.0005 -42.9967 -42.9967 -17.0168 -17.0168 -16.8714 -16.8714 -16.8235 -16.8235 -15.2254 -15.2254 -15.1051 -15.1051 -14.9682 -14.9682 -14.9157 -14.9157 -14.8172 -14.8172 -14.7771 -14.7771 -2.3422 -2.3422 7.0151 7.0151 7.1002 7.1002 8.2989 8.2989 14.1142 14.1142 15.8412 15.8412 17.3583 17.3583 17.9989 17.9989 k = 0.3327 0.1921 0.5432 ( 2512 PWs) bands (ev): -44.8410 -44.8410 -42.9992 -42.9992 -42.9978 -42.9978 -17.0159 -17.0159 -16.8694 -16.8694 -16.8250 -16.8250 -15.2204 -15.2204 -15.1052 -15.1052 -14.9659 -14.9659 -14.9193 -14.9193 -14.8213 -14.8213 -14.7773 -14.7773 -2.3471 -2.3471 6.9717 6.9717 7.1418 7.1418 8.3087 8.3087 14.2006 14.2006 15.7716 15.7716 17.3378 17.3378 17.9446 17.9446 k = 0.3266 0.1886 0.5334 ( 2512 PWs) bands (ev): -44.8412 -44.8412 -42.9989 -42.9989 -42.9980 -42.9980 -17.0150 -17.0150 -16.8673 -16.8673 -16.8263 -16.8263 -15.2154 -15.2154 -15.1052 -15.1052 -14.9634 -14.9634 -14.9231 -14.9231 -14.8255 -14.8255 -14.7775 -14.7775 -2.3526 -2.3526 6.9308 6.9308 7.1842 7.1842 8.3186 8.3186 14.2874 14.2874 15.6981 15.6981 17.3178 17.3178 17.8922 17.8922 k = 0.3206 0.1851 0.5235 ( 2508 PWs) bands (ev): -44.8414 -44.8414 -42.9999 -42.9999 -42.9967 -42.9967 -17.0141 -17.0141 -16.8652 -16.8652 -16.8276 -16.8276 -15.2103 -15.2103 -15.1051 -15.1051 -14.9607 -14.9607 -14.9268 -14.9268 -14.8299 -14.8299 -14.7775 -14.7775 -2.3587 -2.3587 6.8924 6.8924 7.2272 7.2272 8.3287 8.3287 14.3743 14.3743 15.6218 15.6218 17.2986 17.2986 17.8418 17.8418 k = 0.3145 0.1816 0.5136 ( 2508 PWs) bands (ev): -44.8416 -44.8416 -43.0010 -43.0010 -42.9954 -42.9954 -17.0132 -17.0132 -16.8631 -16.8631 -16.8287 -16.8287 -15.2053 -15.2053 -15.1051 -15.1051 -14.9580 -14.9580 -14.9307 -14.9307 -14.8344 -14.8344 -14.7776 -14.7776 -2.3656 -2.3656 6.8568 6.8568 7.2708 7.2708 8.3388 8.3388 14.4606 14.4606 15.5438 15.5438 17.2801 17.2801 17.7935 17.7935 k = 0.3085 0.1781 0.5037 ( 2508 PWs) bands (ev): -44.8419 -44.8419 -43.0021 -43.0021 -42.9940 -42.9940 -17.0122 -17.0122 -16.8610 -16.8610 -16.8297 -16.8297 -15.2003 -15.2003 -15.1051 -15.1051 -14.9553 -14.9553 -14.9344 -14.9344 -14.8389 -14.8389 -14.7777 -14.7777 -2.3732 -2.3732 6.8240 6.8240 7.3149 7.3149 8.3491 8.3491 14.5452 14.5452 15.4657 15.4657 17.2626 17.2626 17.7476 17.7476 k = 0.3024 0.1746 0.4938 ( 2504 PWs) bands (ev): -44.8421 -44.8421 -43.0032 -43.0032 -42.9927 -42.9927 -17.0113 -17.0113 -16.8589 -16.8589 -16.8306 -16.8306 -15.1954 -15.1954 -15.1049 -15.1049 -14.9526 -14.9526 -14.9381 -14.9381 -14.8437 -14.8437 -14.7776 -14.7776 -2.3815 -2.3815 6.7942 6.7942 7.3593 7.3593 8.3594 8.3594 14.6263 14.6263 15.3899 15.3899 17.2462 17.2462 17.7041 17.7041 k = 0.2964 0.1711 0.4840 ( 2512 PWs) bands (ev): -44.8425 -44.8425 -43.0043 -43.0043 -42.9914 -42.9914 -17.0104 -17.0104 -16.8568 -16.8568 -16.8314 -16.8314 -15.1907 -15.1907 -15.1047 -15.1047 -14.9504 -14.9504 -14.9413 -14.9413 -14.8487 -14.8487 -14.7776 -14.7776 -2.3906 -2.3906 6.7675 6.7675 7.4040 7.4040 8.3698 8.3698 14.6998 14.6998 15.3205 15.3205 17.2309 17.2309 17.6630 17.6630 k = 0.2903 0.1676 0.4741 ( 2512 PWs) bands (ev): -44.8428 -44.8428 -43.0053 -43.0053 -42.9900 -42.9900 -17.0095 -17.0095 -16.8547 -16.8547 -16.8320 -16.8320 -15.1860 -15.1860 -15.1043 -15.1043 -14.9504 -14.9504 -14.9421 -14.9421 -14.8537 -14.8537 -14.7775 -14.7775 -2.4004 -2.4004 6.7440 6.7440 7.4489 7.4489 8.3802 8.3802 14.7581 14.7581 15.2656 15.2656 17.2169 17.2169 17.6247 17.6247 k = 0.2843 0.1641 0.4642 ( 2512 PWs) bands (ev): -44.8431 -44.8431 -43.0064 -43.0064 -42.9886 -42.9886 -17.0086 -17.0086 -16.8526 -16.8526 -16.8325 -16.8325 -15.1815 -15.1815 -15.1038 -15.1038 -14.9531 -14.9531 -14.9400 -14.9400 -14.8588 -14.8588 -14.7774 -14.7774 -2.4110 -2.4110 6.7237 6.7237 7.4939 7.4939 8.3906 8.3906 14.7879 14.7879 15.2386 15.2386 17.2042 17.2042 17.5890 17.5890 k = 0.2782 0.1606 0.4543 ( 2514 PWs) bands (ev): -44.8434 -44.8434 -43.0075 -43.0075 -42.9872 -42.9872 -17.0076 -17.0076 -16.8506 -16.8506 -16.8328 -16.8328 -15.1772 -15.1772 -15.1031 -15.1031 -14.9567 -14.9567 -14.9370 -14.9370 -14.8641 -14.8641 -14.7772 -14.7772 -2.4224 -2.4224 6.7068 6.7068 7.5390 7.5390 8.4009 8.4009 14.7773 14.7773 15.2516 15.2516 17.1930 17.1930 17.5562 17.5562 k = 0.2722 0.1571 0.4445 ( 2510 PWs) bands (ev): -44.8438 -44.8438 -43.0085 -43.0085 -42.9858 -42.9858 -17.0067 -17.0067 -16.8486 -16.8486 -16.8330 -16.8330 -15.1732 -15.1732 -15.1020 -15.1020 -14.9606 -14.9606 -14.9335 -14.9335 -14.8695 -14.8695 -14.7770 -14.7770 -2.4346 -2.4346 6.6933 6.6933 7.5839 7.5839 8.4113 8.4113 14.7303 14.7303 15.3007 15.3007 17.1834 17.1834 17.5262 17.5262 k = 0.2661 0.1536 0.4346 ( 2509 PWs) bands (ev): -44.8442 -44.8442 -43.0095 -43.0095 -42.9844 -42.9844 -17.0057 -17.0057 -16.8466 -16.8466 -16.8329 -16.8329 -15.1696 -15.1696 -15.1007 -15.1007 -14.9646 -14.9646 -14.9298 -14.9298 -14.8749 -14.8749 -14.7768 -14.7768 -2.4475 -2.4475 6.6833 6.6833 7.6287 7.6287 8.4216 8.4216 14.6606 14.6606 15.3722 15.3722 17.1754 17.1754 17.4993 17.4993 k = 0.2601 0.1502 0.4247 ( 2505 PWs) bands (ev): -44.8446 -44.8446 -43.0106 -43.0106 -42.9829 -42.9829 -17.0047 -17.0047 -16.8447 -16.8447 -16.8327 -16.8327 -15.1665 -15.1665 -15.0989 -15.0989 -14.9686 -14.9686 -14.9260 -14.9260 -14.8804 -14.8804 -14.7765 -14.7765 -2.4612 -2.4612 6.6768 6.6768 7.6733 7.6733 8.4318 8.4318 14.5786 14.5786 15.4561 15.4561 17.1691 17.1691 17.4754 17.4754 k = 0.2540 0.1467 0.4148 ( 2517 PWs) bands (ev): -44.8450 -44.8450 -43.0116 -43.0116 -42.9815 -42.9815 -17.0038 -17.0038 -16.8430 -16.8430 -16.8323 -16.8323 -15.1639 -15.1639 -15.0970 -15.0970 -14.9725 -14.9725 -14.9223 -14.9223 -14.8859 -14.8859 -14.7764 -14.7764 -2.4757 -2.4757 6.6738 6.6738 7.7174 7.7174 8.4419 8.4419 14.4896 14.4896 15.5467 15.5467 17.1647 17.1647 17.4546 17.4546 k = 0.2480 0.1432 0.4050 ( 2517 PWs) bands (ev): -44.8455 -44.8455 -43.0126 -43.0126 -42.9801 -42.9801 -17.0028 -17.0028 -16.8413 -16.8413 -16.8317 -16.8317 -15.1619 -15.1619 -15.0944 -15.0944 -14.9764 -14.9764 -14.9184 -14.9184 -14.8914 -14.8914 -14.7761 -14.7761 -2.4910 -2.4910 6.6744 6.6744 7.7612 7.7612 8.4518 8.4518 14.3965 14.3965 15.6414 15.6414 17.1622 17.1622 17.4371 17.4371 k = 0.2419 0.1397 0.3951 ( 2513 PWs) bands (ev): -44.8459 -44.8459 -43.0135 -43.0135 -42.9787 -42.9787 -17.0018 -17.0018 -16.8397 -16.8397 -16.8308 -16.8308 -15.1605 -15.1605 -15.0912 -15.0912 -14.9803 -14.9803 -14.9147 -14.9147 -14.8966 -14.8966 -14.7757 -14.7757 -2.5069 -2.5069 6.6786 6.6786 7.8044 7.8044 8.4617 8.4617 14.3006 14.3006 15.7388 15.7388 17.1617 17.1617 17.4227 17.4227 k = 0.2359 0.1362 0.3852 ( 2513 PWs) bands (ev): -44.8464 -44.8464 -43.0145 -43.0145 -42.9773 -42.9773 -17.0007 -17.0007 -16.8383 -16.8383 -16.8297 -16.8297 -15.1596 -15.1596 -15.0876 -15.0876 -14.9840 -14.9840 -14.9122 -14.9122 -14.9007 -14.9007 -14.7753 -14.7753 -2.5236 -2.5236 6.6864 6.6864 7.8471 7.8471 8.4714 8.4714 14.2028 14.2028 15.8379 15.8379 17.1633 17.1633 17.4117 17.4117 k = 0.2298 0.1327 0.3753 ( 2505 PWs) bands (ev): -44.8469 -44.8469 -43.0154 -43.0154 -42.9759 -42.9759 -16.9996 -16.9996 -16.8368 -16.8368 -16.8284 -16.8284 -15.1594 -15.1594 -15.0836 -15.0836 -14.9876 -14.9876 -14.9132 -14.9132 -14.9009 -14.9009 -14.7749 -14.7749 -2.5409 -2.5409 6.6979 6.6979 7.8890 7.8890 8.4809 8.4809 14.1037 14.1037 15.9383 15.9383 17.1670 17.1670 17.4039 17.4039 k = 0.2238 0.1292 0.3654 ( 2511 PWs) bands (ev): -44.8474 -44.8474 -43.0163 -43.0163 -42.9745 -42.9745 -16.9986 -16.9986 -16.8357 -16.8357 -16.8269 -16.8269 -15.1597 -15.1597 -15.0795 -15.0795 -14.9911 -14.9911 -14.9176 -14.9176 -14.8980 -14.8980 -14.7744 -14.7744 -2.5588 -2.5588 6.7129 6.7129 7.9302 7.9302 8.4902 8.4902 14.0035 14.0035 16.0394 16.0394 17.1728 17.1728 17.3996 17.3996 k = 0.2177 0.1257 0.3556 ( 2515 PWs) bands (ev): -44.8479 -44.8479 -43.0172 -43.0172 -42.9731 -42.9731 -16.9976 -16.9976 -16.8345 -16.8345 -16.8254 -16.8254 -15.1605 -15.1605 -15.0750 -15.0750 -14.9945 -14.9945 -14.9230 -14.9230 -14.8940 -14.8940 -14.7740 -14.7740 -2.5774 -2.5774 6.7315 6.7315 7.9705 7.9705 8.4994 8.4994 13.9024 13.9024 16.1411 16.1411 17.1808 17.1808 17.3986 17.3986 k = 0.2117 0.1222 0.3457 ( 2513 PWs) bands (ev): -44.8485 -44.8485 -43.0181 -43.0181 -42.9717 -42.9717 -16.9965 -16.9965 -16.8333 -16.8333 -16.8237 -16.8237 -15.1616 -15.1616 -15.0703 -15.0703 -14.9976 -14.9976 -14.9287 -14.9287 -14.8896 -14.8896 -14.7735 -14.7735 -2.5964 -2.5964 6.7536 6.7536 8.0099 8.0099 8.5083 8.5083 13.8007 13.8007 16.2431 16.2431 17.1910 17.1910 17.4011 17.4011 k = 0.2056 0.1187 0.3358 ( 2511 PWs) bands (ev): -44.8490 -44.8490 -43.0189 -43.0189 -42.9703 -42.9703 -16.9953 -16.9953 -16.8320 -16.8320 -16.8221 -16.8221 -15.1632 -15.1632 -15.0655 -15.0655 -15.0005 -15.0005 -14.9345 -14.9345 -14.8850 -14.8850 -14.7729 -14.7729 -2.6160 -2.6160 6.7793 6.7793 8.0484 8.0484 8.5169 8.5169 13.6984 13.6984 16.3452 16.3452 17.2035 17.2035 17.4070 17.4070 k = 0.1996 0.1152 0.3259 ( 2513 PWs) bands (ev): -44.8495 -44.8495 -43.0197 -43.0197 -42.9690 -42.9690 -16.9942 -16.9942 -16.8308 -16.8308 -16.8204 -16.8204 -15.1651 -15.1651 -15.0609 -15.0609 -15.0031 -15.0031 -14.9403 -14.9403 -14.8803 -14.8803 -14.7724 -14.7724 -2.6360 -2.6360 6.8084 6.8084 8.0859 8.0859 8.5254 8.5254 13.5956 13.5956 16.4471 16.4471 17.2183 17.2183 17.4164 17.4164 k = 0.1935 0.1117 0.3161 ( 2513 PWs) bands (ev): -44.8501 -44.8501 -43.0205 -43.0205 -42.9677 -42.9677 -16.9931 -16.9931 -16.8295 -16.8295 -16.8187 -16.8187 -15.1672 -15.1672 -15.0564 -15.0564 -15.0054 -15.0054 -14.9461 -14.9461 -14.8754 -14.8754 -14.7718 -14.7718 -2.6564 -2.6564 6.8410 6.8410 8.1222 8.1222 8.5335 8.5335 13.4924 13.4924 16.5487 16.5487 17.2353 17.2353 17.4293 17.4293 k = 0.1875 0.1083 0.3062 ( 2519 PWs) bands (ev): -44.8507 -44.8507 -43.0212 -43.0212 -42.9664 -42.9664 -16.9919 -16.9919 -16.8282 -16.8282 -16.8171 -16.8171 -15.1697 -15.1697 -15.0523 -15.0523 -15.0073 -15.0073 -14.9519 -14.9519 -14.8705 -14.8705 -14.7712 -14.7712 -2.6771 -2.6771 6.8769 6.8769 8.1574 8.1574 8.5414 8.5414 13.3889 13.3889 16.6497 16.6497 17.2546 17.2546 17.4456 17.4456 k = 0.1815 0.1048 0.2963 ( 2519 PWs) bands (ev): -44.8513 -44.8513 -43.0219 -43.0219 -42.9651 -42.9651 -16.9908 -16.9908 -16.8268 -16.8268 -16.8155 -16.8155 -15.1724 -15.1724 -15.0488 -15.0488 -15.0086 -15.0086 -14.9574 -14.9574 -14.8655 -14.8655 -14.7705 -14.7705 -2.6981 -2.6981 6.9162 6.9162 8.1915 8.1915 8.5491 8.5491 13.2850 13.2850 16.7501 16.7501 17.2761 17.2761 17.4654 17.4654 k = 0.1754 0.1013 0.2864 ( 2515 PWs) bands (ev): -44.8518 -44.8518 -43.0226 -43.0226 -42.9638 -42.9638 -16.9895 -16.9895 -16.8253 -16.8253 -16.8138 -16.8138 -15.1752 -15.1752 -15.0460 -15.0460 -15.0092 -15.0092 -14.9627 -14.9627 -14.8604 -14.8604 -14.7698 -14.7698 -2.7193 -2.7193 6.9586 6.9586 8.2243 8.2243 8.5564 8.5564 13.1808 13.1808 16.8496 16.8496 17.2998 17.2998 17.4887 17.4887 k = 0.1694 0.0978 0.2766 ( 2515 PWs) bands (ev): -44.8524 -44.8524 -43.0233 -43.0233 -42.9626 -42.9626 -16.9883 -16.9883 -16.8238 -16.8238 -16.8122 -16.8122 -15.1782 -15.1782 -15.0442 -15.0442 -15.0091 -15.0091 -14.9676 -14.9676 -14.8553 -14.8553 -14.7691 -14.7691 -2.7406 -2.7406 7.0042 7.0042 8.2559 8.2559 8.5635 8.5635 13.0764 13.0764 16.9480 16.9480 17.3256 17.3256 17.5154 17.5154 k = 0.1633 0.0943 0.2667 ( 2511 PWs) bands (ev): -44.8530 -44.8530 -43.0239 -43.0239 -42.9614 -42.9614 -16.9871 -16.9871 -16.8222 -16.8222 -16.8106 -16.8106 -15.1814 -15.1814 -15.0434 -15.0434 -15.0085 -15.0085 -14.9719 -14.9719 -14.8502 -14.8502 -14.7682 -14.7682 -2.7620 -2.7620 7.0529 7.0529 8.2862 8.2862 8.5703 8.5703 12.9718 12.9718 17.0452 17.0452 17.3534 17.3534 17.5456 17.5456 k = 0.1573 0.0908 0.2568 ( 2523 PWs) bands (ev): -44.8536 -44.8536 -43.0245 -43.0245 -42.9603 -42.9603 -16.9860 -16.9860 -16.8207 -16.8207 -16.8092 -16.8092 -15.1848 -15.1848 -15.0435 -15.0435 -15.0080 -15.0080 -14.9756 -14.9756 -14.8450 -14.8450 -14.7674 -14.7674 -2.7834 -2.7834 7.1045 7.1045 8.3153 8.3153 8.5768 8.5768 12.8670 12.8670 17.1408 17.1408 17.3832 17.3832 17.5791 17.5791 k = 0.1512 0.0873 0.2469 ( 2523 PWs) bands (ev): -44.8542 -44.8542 -43.0251 -43.0251 -42.9591 -42.9591 -16.9848 -16.9848 -16.8191 -16.8191 -16.8078 -16.8078 -15.1881 -15.1881 -15.0441 -15.0441 -15.0079 -15.0079 -14.9777 -14.9777 -14.8398 -14.8398 -14.7666 -14.7666 -2.8048 -2.8048 7.1590 7.1590 8.3430 8.3430 8.5830 8.5830 12.7621 12.7621 17.2347 17.2347 17.4149 17.4149 17.6159 17.6159 k = 0.1452 0.0838 0.2370 ( 2523 PWs) bands (ev): -44.8547 -44.8547 -43.0256 -43.0256 -42.9580 -42.9580 -16.9835 -16.9835 -16.8174 -16.8174 -16.8064 -16.8064 -15.1915 -15.1915 -15.0453 -15.0453 -15.0090 -15.0090 -14.9783 -14.9783 -14.8347 -14.8347 -14.7658 -14.7658 -2.8260 -2.8260 7.2162 7.2162 8.3694 8.3694 8.5889 8.5889 12.6572 12.6572 17.3267 17.3267 17.4483 17.4483 17.6561 17.6561 k = 0.1391 0.0803 0.2272 ( 2525 PWs) bands (ev): -44.8553 -44.8553 -43.0262 -43.0262 -42.9569 -42.9569 -16.9823 -16.9823 -16.8158 -16.8158 -16.8051 -16.8051 -15.1949 -15.1949 -15.0467 -15.0467 -15.0114 -15.0114 -14.9773 -14.9773 -14.8295 -14.8295 -14.7650 -14.7650 -2.8469 -2.8469 7.2759 7.2759 8.3945 8.3945 8.5945 8.5945 12.5522 12.5522 17.4164 17.4164 17.4834 17.4834 17.6995 17.6995 k = 0.1331 0.0768 0.2173 ( 2529 PWs) bands (ev): -44.8559 -44.8559 -43.0267 -43.0267 -42.9559 -42.9559 -16.9812 -16.9812 -16.8141 -16.8141 -16.8038 -16.8038 -15.1984 -15.1984 -15.0483 -15.0483 -15.0147 -15.0147 -14.9751 -14.9751 -14.8242 -14.8242 -14.7642 -14.7642 -2.8677 -2.8677 7.3382 7.3382 8.4183 8.4183 8.5998 8.5998 12.4472 12.4472 17.5036 17.5036 17.5201 17.5201 17.7460 17.7460 k = 0.1270 0.0733 0.2074 ( 2521 PWs) bands (ev): -44.8564 -44.8564 -43.0271 -43.0271 -42.9549 -42.9549 -16.9800 -16.9800 -16.8124 -16.8124 -16.8025 -16.8025 -15.2019 -15.2019 -15.0500 -15.0500 -15.0184 -15.0184 -14.9722 -14.9722 -14.8190 -14.8190 -14.7632 -14.7632 -2.8880 -2.8880 7.4027 7.4027 8.4408 8.4408 8.6049 8.6049 12.3424 12.3424 17.5576 17.5576 17.5883 17.5883 17.7956 17.7956 k = 0.1210 0.0698 0.1975 ( 2521 PWs) bands (ev): -44.8569 -44.8569 -43.0276 -43.0276 -42.9539 -42.9539 -16.9788 -16.9788 -16.8107 -16.8107 -16.8013 -16.8013 -15.2053 -15.2053 -15.0517 -15.0517 -15.0225 -15.0225 -14.9690 -14.9690 -14.8138 -14.8138 -14.7624 -14.7624 -2.9080 -2.9080 7.4694 7.4694 8.4619 8.4619 8.6096 8.6096 12.2378 12.2378 17.5965 17.5965 17.6696 17.6696 17.8481 17.8481 k = 0.1149 0.0663 0.1877 ( 2525 PWs) bands (ev): -44.8575 -44.8575 -43.0280 -43.0280 -42.9530 -42.9530 -16.9777 -16.9777 -16.8091 -16.8091 -16.8002 -16.8002 -15.2088 -15.2088 -15.0535 -15.0535 -15.0268 -15.0268 -14.9656 -14.9656 -14.8087 -14.8087 -14.7615 -14.7615 -2.9274 -2.9274 7.5380 7.5380 8.4818 8.4818 8.6141 8.6141 12.1336 12.1336 17.6364 17.6364 17.7473 17.7473 17.9035 17.9035 k = 0.1089 0.0629 0.1778 ( 2523 PWs) bands (ev): -44.8580 -44.8580 -43.0284 -43.0284 -42.9521 -42.9521 -16.9766 -16.9766 -16.8074 -16.8074 -16.7991 -16.7991 -15.2122 -15.2122 -15.0553 -15.0553 -15.0309 -15.0309 -14.9622 -14.9622 -14.8037 -14.8037 -14.7606 -14.7606 -2.9463 -2.9463 7.6084 7.6084 8.5005 8.5005 8.6183 8.6183 12.0298 12.0298 17.6769 17.6769 17.8211 17.8211 17.9615 17.9615 k = 0.1028 0.0594 0.1679 ( 2533 PWs) bands (ev): -44.8585 -44.8585 -43.0287 -43.0287 -42.9512 -42.9512 -16.9756 -16.9756 -16.8058 -16.8058 -16.7981 -16.7981 -15.2155 -15.2155 -15.0570 -15.0570 -15.0352 -15.0352 -14.9590 -14.9590 -14.7989 -14.7989 -14.7597 -14.7597 -2.9646 -2.9646 7.6802 7.6802 8.5179 8.5179 8.6222 8.6222 11.9267 11.9267 17.7178 17.7178 17.8904 17.8904 18.0220 18.0220 k = 0.0968 0.0559 0.1580 ( 2533 PWs) bands (ev): -44.8590 -44.8590 -43.0291 -43.0291 -42.9504 -42.9504 -16.9746 -16.9746 -16.8042 -16.8042 -16.7972 -16.7972 -15.2187 -15.2187 -15.0587 -15.0587 -15.0392 -15.0392 -14.9558 -14.9558 -14.7941 -14.7941 -14.7589 -14.7589 -2.9822 -2.9822 7.7533 7.7533 8.5341 8.5341 8.6259 8.6259 11.8244 11.8244 17.7589 17.7589 17.9547 17.9547 18.0847 18.0847 k = 0.0907 0.0524 0.1482 ( 2529 PWs) bands (ev): -44.8594 -44.8594 -43.0294 -43.0294 -42.9497 -42.9497 -16.9735 -16.9735 -16.8027 -16.8027 -16.7962 -16.7962 -15.2219 -15.2219 -15.0603 -15.0603 -15.0431 -15.0431 -14.9527 -14.9527 -14.7893 -14.7893 -14.7580 -14.7580 -2.9991 -2.9991 7.8274 7.8274 8.5491 8.5491 8.6293 8.6293 11.7232 11.7232 17.8000 17.8000 18.0133 18.0133 18.1496 18.1496 k = 0.0847 0.0489 0.1383 ( 2535 PWs) bands (ev): -44.8599 -44.8599 -43.0297 -43.0297 -42.9490 -42.9490 -16.9726 -16.9726 -16.8012 -16.8012 -16.7954 -16.7954 -15.2248 -15.2248 -15.0619 -15.0619 -15.0468 -15.0468 -14.9499 -14.9499 -14.7849 -14.7849 -14.7572 -14.7572 -3.0151 -3.0151 7.9021 7.9021 8.5629 8.5629 8.6325 8.6325 11.6234 11.6234 17.8406 17.8406 18.0655 18.0655 18.2162 18.2162 k = 0.0786 0.0454 0.1284 ( 2535 PWs) bands (ev): -44.8603 -44.8603 -43.0300 -43.0300 -42.9483 -42.9483 -16.9717 -16.9717 -16.7997 -16.7997 -16.7946 -16.7946 -15.2277 -15.2277 -15.0633 -15.0633 -15.0502 -15.0502 -14.9472 -14.9472 -14.7806 -14.7806 -14.7564 -14.7564 -3.0304 -3.0304 7.9771 7.9771 8.5756 8.5756 8.6354 8.6354 11.5252 11.5252 17.8805 17.8805 18.1105 18.1105 18.2842 18.2842 k = 0.0726 0.0419 0.1185 ( 2531 PWs) bands (ev): -44.8606 -44.8606 -43.0302 -43.0302 -42.9477 -42.9477 -16.9708 -16.9708 -16.7983 -16.7983 -16.7938 -16.7938 -15.2304 -15.2304 -15.0647 -15.0647 -15.0535 -15.0535 -14.9447 -14.9447 -14.7765 -14.7765 -14.7556 -14.7556 -3.0447 -3.0447 8.0518 8.0518 8.5872 8.5872 8.6382 8.6382 11.4291 11.4291 17.9195 17.9195 18.1476 18.1476 18.3219 18.3219 k = 0.0665 0.0384 0.1086 ( 2527 PWs) bands (ev): -44.8610 -44.8610 -43.0304 -43.0304 -42.9471 -42.9471 -16.9700 -16.9700 -16.7970 -16.7970 -16.7931 -16.7931 -15.2329 -15.2329 -15.0660 -15.0660 -15.0566 -15.0566 -14.9423 -14.9423 -14.7725 -14.7725 -14.7548 -14.7548 -3.0580 -3.0580 8.1259 8.1259 8.5977 8.5977 8.6407 8.6407 11.3355 11.3355 17.9570 17.9570 18.1765 18.1765 18.3012 18.3012 k = 0.0605 0.0349 0.0988 ( 2527 PWs) bands (ev): -44.8613 -44.8613 -43.0306 -43.0306 -42.9465 -42.9465 -16.9693 -16.9693 -16.7958 -16.7958 -16.7925 -16.7925 -15.2353 -15.2353 -15.0672 -15.0672 -15.0594 -15.0594 -14.9402 -14.9402 -14.7689 -14.7689 -14.7542 -14.7542 -3.0704 -3.0704 8.1988 8.1988 8.6071 8.6071 8.6430 8.6430 11.2450 11.2450 17.9929 17.9929 18.1968 18.1968 18.2825 18.2825 k = 0.0544 0.0314 0.0889 ( 2527 PWs) bands (ev): -44.8616 -44.8616 -43.0308 -43.0308 -42.9460 -42.9460 -16.9686 -16.9686 -16.7946 -16.7946 -16.7919 -16.7919 -15.2375 -15.2375 -15.0683 -15.0683 -15.0620 -15.0620 -14.9384 -14.9384 -14.7655 -14.7655 -14.7535 -14.7535 -3.0817 -3.0817 8.2696 8.2696 8.6155 8.6155 8.6451 8.6451 11.1583 11.1583 18.0266 18.0266 18.2091 18.2091 18.2659 18.2659 k = 0.0484 0.0279 0.0790 ( 2517 PWs) bands (ev): -44.8619 -44.8619 -43.0309 -43.0309 -42.9456 -42.9456 -16.9679 -16.9679 -16.7935 -16.7935 -16.7913 -16.7913 -15.2395 -15.2395 -15.0693 -15.0693 -15.0643 -15.0643 -14.9366 -14.9366 -14.7624 -14.7624 -14.7528 -14.7528 -3.0919 -3.0919 8.3377 8.3377 8.6228 8.6228 8.6471 8.6471 11.0760 11.0760 18.0579 18.0579 18.2142 18.2142 18.2517 18.2517 k = 0.0423 0.0244 0.0691 ( 2521 PWs) bands (ev): -44.8622 -44.8622 -43.0310 -43.0310 -42.9452 -42.9452 -16.9674 -16.9674 -16.7926 -16.7926 -16.7909 -16.7909 -15.2412 -15.2412 -15.0702 -15.0702 -15.0664 -15.0664 -14.9352 -14.9352 -14.7598 -14.7598 -14.7523 -14.7523 -3.1010 -3.1010 8.4021 8.4021 8.6291 8.6291 8.6490 8.6490 10.9992 10.9992 18.0863 18.0863 18.2134 18.2134 18.2401 18.2401 k = 0.0363 0.0210 0.0593 ( 2521 PWs) bands (ev): -44.8624 -44.8624 -43.0312 -43.0312 -42.9449 -42.9449 -16.9669 -16.9669 -16.7918 -16.7918 -16.7905 -16.7905 -15.2428 -15.2428 -15.0710 -15.0710 -15.0682 -15.0682 -14.9339 -14.9339 -14.7574 -14.7574 -14.7518 -14.7518 -3.1090 -3.1090 8.4617 8.4617 8.6344 8.6344 8.6508 8.6508 10.9287 10.9287 18.1114 18.1114 18.2089 18.2089 18.2306 18.2306 k = 0.0302 0.0175 0.0494 ( 2521 PWs) bands (ev): -44.8626 -44.8626 -43.0313 -43.0313 -42.9446 -42.9446 -16.9665 -16.9665 -16.7911 -16.7911 -16.7902 -16.7902 -15.2441 -15.2441 -15.0717 -15.0717 -15.0697 -15.0697 -14.9329 -14.9329 -14.7553 -14.7553 -14.7514 -14.7514 -3.1158 -3.1158 8.5153 8.5153 8.6387 8.6387 8.6525 8.6525 10.8659 10.8659 18.1327 18.1327 18.2031 18.2031 18.2225 18.2225 k = 0.0242 0.0140 0.0395 ( 2513 PWs) bands (ev): -44.8627 -44.8627 -43.0313 -43.0313 -42.9444 -42.9444 -16.9661 -16.9661 -16.7904 -16.7904 -16.7898 -16.7898 -15.2452 -15.2452 -15.0722 -15.0722 -15.0710 -15.0710 -14.9319 -14.9319 -14.7535 -14.7535 -14.7510 -14.7510 -3.1214 -3.1214 8.5616 8.5616 8.6422 8.6422 8.6541 8.6541 10.8120 10.8120 18.1493 18.1493 18.1983 18.1983 18.2154 18.2154 k = 0.0181 0.0105 0.0296 ( 2501 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9442 -42.9442 -16.9658 -16.9658 -16.7899 -16.7899 -16.7895 -16.7895 -15.2460 -15.2460 -15.0725 -15.0725 -15.0719 -15.0719 -14.9312 -14.9312 -14.7521 -14.7521 -14.7506 -14.7506 -3.1257 -3.1257 8.5990 8.5990 8.6451 8.6451 8.6555 8.6555 10.7683 10.7683 18.1601 18.1601 18.1964 18.1964 18.2095 18.2095 k = 0.0121 0.0070 0.0198 ( 2495 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9440 -42.9440 -16.9655 -16.9655 -16.7895 -16.7895 -16.7893 -16.7893 -15.2466 -15.2466 -15.0728 -15.0728 -15.0726 -15.0726 -14.9307 -14.9307 -14.7511 -14.7511 -14.7504 -14.7504 -3.1289 -3.1289 8.6254 8.6254 8.6484 8.6484 8.6567 8.6567 10.7359 10.7359 18.1651 18.1651 18.1977 18.1977 18.2050 18.2050 k = 0.0060 0.0035 0.0099 ( 2483 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9439 -42.9439 -16.9653 -16.9653 -16.7892 -16.7892 -16.7891 -16.7891 -15.2468 -15.2468 -15.0729 -15.0729 -15.0727 -15.0727 -14.9304 -14.9304 -14.7505 -14.7505 -14.7503 -14.7503 -3.1307 -3.1307 8.6380 8.6380 8.6541 8.6541 8.6575 8.6575 10.7161 10.7161 18.1663 18.1663 18.2001 18.2001 18.2022 18.2022 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9437 -42.9437 -16.9650 -16.9650 -16.7889 -16.7889 -16.7889 -16.7889 -15.2464 -15.2464 -15.0724 -15.0724 -15.0724 -15.0724 -14.9303 -14.9303 -14.7503 -14.7503 -14.7503 -14.7503 -3.1314 -3.1314 8.6406 8.6406 8.6578 8.6578 8.6578 8.6578 10.7094 10.7094 18.1665 18.1665 18.2012 18.2012 18.2012 18.2012 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9437 -42.9437 -16.9650 -16.9650 -16.7889 -16.7889 -16.7889 -16.7889 -15.2464 -15.2464 -15.0724 -15.0724 -15.0724 -15.0724 -14.9303 -14.9303 -14.7503 -14.7503 -14.7503 -14.7503 -3.1314 -3.1314 8.6406 8.6406 8.6578 8.6578 8.6578 8.6578 10.7094 10.7094 18.1665 18.1665 18.2012 18.2012 18.2012 18.2012 k = 0.0098 0.0057 0.0040 ( 2490 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9439 -42.9439 -16.9654 -16.9654 -16.7893 -16.7893 -16.7892 -16.7892 -15.2469 -15.2469 -15.0730 -15.0730 -15.0728 -15.0728 -14.9304 -14.9304 -14.7505 -14.7505 -14.7503 -14.7503 -3.1307 -3.1307 8.6380 8.6380 8.6541 8.6541 8.6575 8.6575 10.7160 10.7160 18.1663 18.1663 18.2001 18.2001 18.2021 18.2021 k = 0.0196 0.0113 0.0080 ( 2499 PWs) bands (ev): -44.8629 -44.8629 -43.0314 -43.0314 -42.9440 -42.9440 -16.9655 -16.9655 -16.7895 -16.7895 -16.7894 -16.7894 -15.2466 -15.2466 -15.0727 -15.0727 -15.0727 -15.0727 -14.9307 -14.9307 -14.7510 -14.7510 -14.7505 -14.7505 -3.1289 -3.1289 8.6254 8.6254 8.6486 8.6486 8.6569 8.6569 10.7355 10.7355 18.1651 18.1651 18.1977 18.1977 18.2049 18.2049 k = 0.0294 0.0170 0.0120 ( 2505 PWs) bands (ev): -44.8628 -44.8628 -43.0314 -43.0314 -42.9442 -42.9442 -16.9658 -16.9658 -16.7899 -16.7899 -16.7896 -16.7896 -15.2460 -15.2460 -15.0723 -15.0723 -15.0722 -15.0722 -14.9312 -14.9312 -14.7519 -14.7519 -14.7508 -14.7508 -3.1258 -3.1258 8.5987 8.5987 8.6458 8.6458 8.6559 8.6559 10.7674 10.7674 18.1604 18.1604 18.1962 18.1962 18.2092 18.2092 k = 0.0392 0.0226 0.0160 ( 2511 PWs) bands (ev): -44.8627 -44.8627 -43.0313 -43.0313 -42.9443 -42.9443 -16.9661 -16.9661 -16.7903 -16.7903 -16.7899 -16.7899 -15.2452 -15.2452 -15.0717 -15.0717 -15.0714 -15.0714 -14.9319 -14.9319 -14.7532 -14.7532 -14.7513 -14.7513 -3.1215 -3.1215 8.5611 8.5611 8.6437 8.6437 8.6545 8.6545 10.8105 10.8105 18.1499 18.1499 18.1978 18.1978 18.2149 18.2149 k = 0.0490 0.0283 0.0200 ( 2517 PWs) bands (ev): -44.8626 -44.8626 -43.0313 -43.0313 -42.9446 -42.9446 -16.9665 -16.9665 -16.7909 -16.7909 -16.7903 -16.7903 -15.2441 -15.2441 -15.0709 -15.0709 -15.0704 -15.0704 -14.9328 -14.9328 -14.7548 -14.7548 -14.7519 -14.7519 -3.1160 -3.1160 8.5144 8.5144 8.6417 8.6417 8.6526 8.6526 10.8636 10.8636 18.1335 18.1335 18.2021 18.2021 18.2215 18.2215 k = 0.0588 0.0340 0.0240 ( 2517 PWs) bands (ev): -44.8624 -44.8624 -43.0312 -43.0312 -42.9449 -42.9449 -16.9669 -16.9669 -16.7914 -16.7914 -16.7908 -16.7908 -15.2428 -15.2428 -15.0699 -15.0699 -15.0692 -15.0692 -14.9338 -14.9338 -14.7566 -14.7566 -14.7525 -14.7525 -3.1093 -3.1093 8.4602 8.4602 8.6393 8.6393 8.6505 8.6505 10.9254 10.9254 18.1122 18.1122 18.2076 18.2076 18.2282 18.2282 k = 0.0686 0.0396 0.0280 ( 2517 PWs) bands (ev): -44.8622 -44.8622 -43.0311 -43.0311 -42.9452 -42.9452 -16.9673 -16.9673 -16.7921 -16.7921 -16.7913 -16.7913 -15.2413 -15.2413 -15.0688 -15.0688 -15.0679 -15.0679 -14.9350 -14.9350 -14.7587 -14.7587 -14.7533 -14.7533 -3.1015 -3.1015 8.3998 8.3998 8.6367 8.6367 8.6479 8.6479 10.9946 10.9946 18.0868 18.0868 18.2129 18.2129 18.2340 18.2340 k = 0.0784 0.0453 0.0320 ( 2514 PWs) bands (ev): -44.8619 -44.8619 -43.0309 -43.0309 -42.9456 -42.9456 -16.9679 -16.9679 -16.7929 -16.7929 -16.7918 -16.7918 -15.2395 -15.2395 -15.0675 -15.0675 -15.0663 -15.0663 -14.9363 -14.9363 -14.7610 -14.7610 -14.7542 -14.7542 -3.0925 -3.0925 8.3344 8.3344 8.6337 8.6337 8.6450 8.6450 11.0701 11.0701 18.0575 18.0575 18.2164 18.2164 18.2378 18.2378 k = 0.0882 0.0509 0.0360 ( 2514 PWs) bands (ev): -44.8616 -44.8616 -43.0307 -43.0307 -42.9460 -42.9460 -16.9685 -16.9685 -16.7937 -16.7937 -16.7925 -16.7925 -15.2375 -15.2375 -15.0660 -15.0660 -15.0645 -15.0645 -14.9379 -14.9379 -14.7636 -14.7636 -14.7551 -14.7551 -3.0824 -3.0824 8.2649 8.2649 8.6304 8.6304 8.6418 8.6418 11.1508 11.1508 18.0248 18.0248 18.2164 18.2164 18.2377 18.2377 k = 0.0980 0.0566 0.0400 ( 2520 PWs) bands (ev): -44.8614 -44.8614 -43.0306 -43.0306 -42.9465 -42.9465 -16.9691 -16.9691 -16.7947 -16.7947 -16.7933 -16.7933 -15.2355 -15.2355 -15.0645 -15.0645 -15.0626 -15.0626 -14.9396 -14.9396 -14.7666 -14.7666 -14.7563 -14.7563 -3.0713 -3.0713 8.1923 8.1923 8.6267 8.6267 8.6381 8.6381 11.2357 11.2357 17.9888 17.9888 18.2110 18.2110 18.2321 18.2321 k = 0.1078 0.0623 0.0440 ( 2532 PWs) bands (ev): -44.8610 -44.8610 -43.0304 -43.0304 -42.9470 -42.9470 -16.9700 -16.9700 -16.7958 -16.7958 -16.7942 -16.7942 -15.2331 -15.2331 -15.0628 -15.0628 -15.0605 -15.0605 -14.9416 -14.9416 -14.7698 -14.7698 -14.7577 -14.7577 -3.0591 -3.0591 8.1173 8.1173 8.6228 8.6228 8.6342 8.6342 11.3241 11.3241 17.9498 17.9498 18.1987 18.1987 18.2193 18.2193 k = 0.1176 0.0679 0.0480 ( 2526 PWs) bands (ev): -44.8607 -44.8607 -43.0302 -43.0302 -42.9476 -42.9476 -16.9707 -16.9707 -16.7969 -16.7969 -16.7950 -16.7950 -15.2306 -15.2306 -15.0608 -15.0608 -15.0583 -15.0583 -14.9435 -14.9435 -14.7731 -14.7731 -14.7589 -14.7589 -3.0459 -3.0459 8.0407 8.0407 8.6185 8.6185 8.6300 8.6300 11.4152 11.4152 17.9081 17.9081 18.1786 18.1786 18.1986 18.1986 k = 0.1275 0.0736 0.0520 ( 2526 PWs) bands (ev): -44.8603 -44.8603 -43.0299 -43.0299 -42.9483 -42.9483 -16.9715 -16.9715 -16.7981 -16.7981 -16.7959 -16.7959 -15.2278 -15.2278 -15.0587 -15.0587 -15.0559 -15.0559 -14.9456 -14.9456 -14.7767 -14.7767 -14.7603 -14.7603 -3.0318 -3.0318 7.9628 7.9628 8.6140 8.6140 8.6255 8.6255 11.5084 11.5084 17.8639 17.8639 18.1508 18.1508 18.1701 18.1701 k = 0.1373 0.0792 0.0560 ( 2532 PWs) bands (ev): -44.8599 -44.8599 -43.0296 -43.0296 -42.9489 -42.9489 -16.9724 -16.9724 -16.7994 -16.7994 -16.7969 -16.7969 -15.2250 -15.2250 -15.0565 -15.0565 -15.0535 -15.0535 -14.9480 -14.9480 -14.7807 -14.7807 -14.7619 -14.7619 -3.0169 -3.0169 7.8843 7.8843 8.6092 8.6092 8.6207 8.6207 11.6032 11.6032 17.8174 17.8174 18.1162 18.1162 18.1351 18.1351 k = 0.1471 0.0849 0.0600 ( 2532 PWs) bands (ev): -44.8595 -44.8595 -43.0293 -43.0293 -42.9497 -42.9497 -16.9733 -16.9733 -16.8007 -16.8007 -16.7979 -16.7979 -15.2219 -15.2219 -15.0542 -15.0542 -15.0509 -15.0509 -14.9504 -14.9504 -14.7846 -14.7846 -14.7635 -14.7635 -3.0010 -3.0010 7.8054 7.8054 8.6041 8.6041 8.6157 8.6157 11.6992 11.6992 17.7688 17.7688 18.0762 18.0762 18.0948 18.0948 k = 0.1569 0.0906 0.0640 ( 2529 PWs) bands (ev): -44.8590 -44.8590 -43.0290 -43.0290 -42.9504 -42.9504 -16.9742 -16.9742 -16.8020 -16.8020 -16.7989 -16.7989 -15.2188 -15.2188 -15.0517 -15.0517 -15.0483 -15.0483 -14.9529 -14.9529 -14.7887 -14.7887 -14.7652 -14.7652 -2.9844 -2.9844 7.7266 7.7266 8.5989 8.5989 8.6105 8.6105 11.7959 11.7959 17.7183 17.7183 18.0323 18.0323 18.0507 18.0507 k = 0.1667 0.0962 0.0680 ( 2535 PWs) bands (ev): -44.8586 -44.8586 -43.0287 -43.0287 -42.9512 -42.9512 -16.9752 -16.9752 -16.8034 -16.8034 -16.8000 -16.8000 -15.2155 -15.2155 -15.0490 -15.0490 -15.0456 -15.0456 -14.9555 -14.9555 -14.7930 -14.7930 -14.7672 -14.7672 -2.9671 -2.9671 7.6481 7.6481 8.5934 8.5934 8.6050 8.6050 11.8929 11.8929 17.6662 17.6662 17.9857 17.9857 18.0040 18.0040 k = 0.1765 0.1019 0.0720 ( 2535 PWs) bands (ev): -44.8581 -44.8581 -43.0283 -43.0283 -42.9521 -42.9521 -16.9763 -16.9763 -16.8049 -16.8049 -16.8012 -16.8012 -15.2121 -15.2121 -15.0463 -15.0463 -15.0430 -15.0430 -14.9581 -14.9581 -14.7974 -14.7974 -14.7691 -14.7691 -2.9491 -2.9491 7.5701 7.5701 8.5878 8.5878 8.5994 8.5994 11.9899 11.9899 17.6125 17.6125 17.9373 17.9373 17.9557 17.9557 k = 0.1863 0.1075 0.0760 ( 2532 PWs) bands (ev): -44.8576 -44.8576 -43.0279 -43.0279 -42.9530 -42.9530 -16.9773 -16.9773 -16.8063 -16.8063 -16.8023 -16.8023 -15.2085 -15.2085 -15.0434 -15.0434 -15.0403 -15.0403 -14.9607 -14.9607 -14.8018 -14.8018 -14.7711 -14.7711 -2.9305 -2.9305 7.4930 7.4930 8.5820 8.5820 8.5937 8.5937 12.0868 12.0868 17.5576 17.5576 17.8880 17.8880 17.9065 17.9065 k = 0.1961 0.1132 0.0800 ( 2532 PWs) bands (ev): -44.8571 -44.8571 -43.0274 -43.0274 -42.9539 -42.9539 -16.9783 -16.9783 -16.8078 -16.8078 -16.8035 -16.8035 -15.2049 -15.2049 -15.0404 -15.0404 -15.0378 -15.0378 -14.9632 -14.9632 -14.8063 -14.8063 -14.7732 -14.7732 -2.9113 -2.9113 7.4168 7.4168 8.5760 8.5760 8.5877 8.5877 12.1831 12.1831 17.5016 17.5016 17.8383 17.8383 17.8570 17.8570 k = 0.2059 0.1189 0.0841 ( 2526 PWs) bands (ev): -44.8566 -44.8566 -43.0270 -43.0270 -42.9549 -42.9549 -16.9794 -16.9794 -16.8093 -16.8093 -16.8047 -16.8047 -15.2012 -15.2012 -15.0373 -15.0373 -15.0352 -15.0352 -14.9657 -14.9657 -14.8108 -14.8108 -14.7754 -14.7754 -2.8917 -2.8917 7.3418 7.3418 8.5700 8.5700 8.5817 8.5817 12.2786 12.2786 17.4445 17.4445 17.7887 17.7887 17.8076 17.8076 k = 0.2157 0.1245 0.0881 ( 2526 PWs) bands (ev): -44.8560 -44.8560 -43.0264 -43.0264 -42.9559 -42.9559 -16.9805 -16.9805 -16.8109 -16.8109 -16.8059 -16.8059 -15.1975 -15.1975 -15.0342 -15.0342 -15.0331 -15.0331 -14.9680 -14.9680 -14.8154 -14.8154 -14.7777 -14.7777 -2.8718 -2.8718 7.2680 7.2680 8.5639 8.5639 8.5756 8.5756 12.3731 12.3731 17.3867 17.3867 17.7396 17.7396 17.7587 17.7587 k = 0.2255 0.1302 0.0921 ( 2529 PWs) bands (ev): -44.8555 -44.8555 -43.0259 -43.0259 -42.9570 -42.9570 -16.9816 -16.9816 -16.8125 -16.8125 -16.8072 -16.8072 -15.1937 -15.1937 -15.0312 -15.0312 -15.0309 -15.0309 -14.9701 -14.9701 -14.8199 -14.8199 -14.7801 -14.7801 -2.8514 -2.8514 7.1957 7.1957 8.5577 8.5577 8.5695 8.5695 12.4665 12.4665 17.3282 17.3282 17.6911 17.6911 17.7105 17.7105 k = 0.2353 0.1358 0.0961 ( 2523 PWs) bands (ev): -44.8550 -44.8550 -43.0253 -43.0253 -42.9581 -42.9581 -16.9827 -16.9827 -16.8140 -16.8140 -16.8084 -16.8084 -15.1899 -15.1899 -15.0295 -15.0295 -15.0275 -15.0275 -14.9719 -14.9719 -14.8245 -14.8245 -14.7825 -14.7825 -2.8309 -2.8309 7.1250 7.1250 8.5514 8.5514 8.5633 8.5633 12.5585 12.5585 17.2692 17.2692 17.6436 17.6436 17.6633 17.6633 k = 0.2451 0.1415 0.1001 ( 2523 PWs) bands (ev): -44.8544 -44.8544 -43.0247 -43.0247 -42.9592 -42.9592 -16.9838 -16.9838 -16.8156 -16.8156 -16.8097 -16.8097 -15.1861 -15.1861 -15.0283 -15.0283 -15.0241 -15.0241 -14.9733 -14.9733 -14.8290 -14.8290 -14.7850 -14.7850 -2.8101 -2.8101 7.0559 7.0559 8.5452 8.5452 8.5570 8.5570 12.6489 12.6489 17.2098 17.2098 17.5972 17.5972 17.6172 17.6172 k = 0.2549 0.1472 0.1041 ( 2517 PWs) bands (ev): -44.8539 -44.8539 -43.0241 -43.0241 -42.9604 -42.9604 -16.9849 -16.9849 -16.8171 -16.8171 -16.8109 -16.8109 -15.1822 -15.1822 -15.0276 -15.0276 -15.0206 -15.0206 -14.9743 -14.9743 -14.8335 -14.8335 -14.7876 -14.7876 -2.7893 -2.7893 6.9887 6.9887 8.5390 8.5390 8.5508 8.5508 12.7377 12.7377 17.1502 17.1502 17.5520 17.5520 17.5723 17.5723 k = 0.2647 0.1528 0.1081 ( 2517 PWs) bands (ev): -44.8533 -44.8533 -43.0234 -43.0234 -42.9616 -42.9616 -16.9860 -16.9860 -16.8186 -16.8186 -16.8121 -16.8121 -15.1784 -15.1784 -15.0274 -15.0274 -15.0171 -15.0171 -14.9748 -14.9748 -14.8380 -14.8380 -14.7902 -14.7902 -2.7685 -2.7685 6.9233 6.9233 8.5328 8.5328 8.5447 8.5447 12.8246 12.8246 17.0905 17.0905 17.5082 17.5082 17.5287 17.5287 k = 0.2745 0.1585 0.1121 ( 2511 PWs) bands (ev): -44.8528 -44.8528 -43.0227 -43.0227 -42.9628 -42.9628 -16.9871 -16.9871 -16.8201 -16.8201 -16.8134 -16.8134 -15.1746 -15.1746 -15.0276 -15.0276 -15.0135 -15.0135 -14.9748 -14.9748 -14.8422 -14.8422 -14.7929 -14.7929 -2.7477 -2.7477 6.8599 6.8599 8.5266 8.5266 8.5385 8.5385 12.9095 12.9095 17.0308 17.0308 17.4658 17.4658 17.4866 17.4866 k = 0.2843 0.1641 0.1161 ( 2512 PWs) bands (ev): -44.8522 -44.8522 -43.0219 -43.0219 -42.9641 -42.9641 -16.9882 -16.9882 -16.8216 -16.8216 -16.8146 -16.8146 -15.1709 -15.1709 -15.0284 -15.0284 -15.0099 -15.0099 -14.9744 -14.9744 -14.8465 -14.8465 -14.7956 -14.7956 -2.7271 -2.7271 6.7985 6.7985 8.5205 8.5205 8.5325 8.5325 12.9923 12.9923 16.9712 16.9712 17.4250 17.4250 17.4460 17.4460 k = 0.2941 0.1698 0.1201 ( 2506 PWs) bands (ev): -44.8517 -44.8517 -43.0212 -43.0212 -42.9654 -42.9654 -16.9892 -16.9892 -16.8230 -16.8230 -16.8158 -16.8158 -15.1672 -15.1672 -15.0296 -15.0296 -15.0061 -15.0061 -14.9736 -14.9736 -14.8507 -14.8507 -14.7984 -14.7984 -2.7066 -2.7066 6.7393 6.7393 8.5146 8.5146 8.5266 8.5266 13.0730 13.0730 16.9119 16.9119 17.3857 17.3857 17.4070 17.4070 k = 0.3039 0.1755 0.1241 ( 2506 PWs) bands (ev): -44.8512 -44.8512 -43.0204 -43.0204 -42.9667 -42.9667 -16.9902 -16.9902 -16.8245 -16.8245 -16.8169 -16.8169 -15.1637 -15.1637 -15.0311 -15.0311 -15.0025 -15.0025 -14.9725 -14.9725 -14.8548 -14.8548 -14.8012 -14.8012 -2.6865 -2.6865 6.6823 6.6823 8.5087 8.5087 8.5207 8.5207 13.1513 13.1513 16.8531 16.8531 17.3480 17.3480 17.3696 17.3696 k = 0.3137 0.1811 0.1281 ( 2506 PWs) bands (ev): -44.8507 -44.8507 -43.0195 -43.0195 -42.9681 -42.9681 -16.9912 -16.9912 -16.8259 -16.8259 -16.8181 -16.8181 -15.1603 -15.1603 -15.0327 -15.0327 -14.9988 -14.9988 -14.9713 -14.9713 -14.8587 -14.8587 -14.8041 -14.8041 -2.6667 -2.6667 6.6275 6.6275 8.5030 8.5030 8.5151 8.5151 13.2272 13.2272 16.7948 16.7948 17.3120 17.3120 17.3339 17.3339 k = 0.3235 0.1868 0.1321 ( 2503 PWs) bands (ev): -44.8502 -44.8502 -43.0186 -43.0186 -42.9695 -42.9695 -16.9922 -16.9922 -16.8272 -16.8272 -16.8192 -16.8192 -15.1570 -15.1570 -15.0345 -15.0345 -14.9951 -14.9951 -14.9699 -14.9699 -14.8625 -14.8625 -14.8069 -14.8069 -2.6475 -2.6475 6.5752 6.5752 8.4975 8.4975 8.5096 8.5096 13.3006 13.3006 16.7373 16.7373 17.2778 17.2778 17.2998 17.2998 k = 0.3333 0.1925 0.1361 ( 2497 PWs) bands (ev): -44.8497 -44.8497 -43.0176 -43.0176 -42.9709 -42.9709 -16.9931 -16.9931 -16.8285 -16.8285 -16.8203 -16.8203 -15.1539 -15.1539 -15.0361 -15.0361 -14.9916 -14.9916 -14.9685 -14.9685 -14.8659 -14.8659 -14.8096 -14.8096 -2.6287 -2.6287 6.5253 6.5253 8.4921 8.4921 8.5042 8.5042 13.3715 13.3715 16.6806 16.6806 17.2452 17.2452 17.2675 17.2675 k = 0.3431 0.1981 0.1401 ( 2488 PWs) bands (ev): -44.8492 -44.8492 -43.0167 -43.0167 -42.9723 -42.9723 -16.9940 -16.9940 -16.8297 -16.8297 -16.8212 -16.8212 -15.1509 -15.1509 -15.0379 -15.0379 -14.9878 -14.9878 -14.9670 -14.9670 -14.8693 -14.8693 -14.8125 -14.8125 -2.6105 -2.6105 6.4778 6.4778 8.4870 8.4870 8.4991 8.4991 13.4396 13.4396 16.6251 16.6251 17.2145 17.2145 17.2370 17.2370 k = 0.3529 0.2038 0.1441 ( 2494 PWs) bands (ev): -44.8488 -44.8488 -43.0157 -43.0157 -42.9737 -42.9737 -16.9949 -16.9949 -16.8309 -16.8309 -16.8223 -16.8223 -15.1481 -15.1481 -15.0396 -15.0396 -14.9843 -14.9843 -14.9657 -14.9657 -14.8726 -14.8726 -14.8155 -14.8155 -2.5930 -2.5930 6.4329 6.4329 8.4821 8.4821 8.4942 8.4942 13.5049 13.5049 16.5708 16.5708 17.1855 17.1855 17.2082 17.2082 k = 0.3627 0.2094 0.1481 ( 2500 PWs) bands (ev): -44.8483 -44.8483 -43.0147 -43.0147 -42.9752 -42.9752 -16.9958 -16.9958 -16.8321 -16.8321 -16.8232 -16.8232 -15.1457 -15.1457 -15.0411 -15.0411 -14.9807 -14.9807 -14.9646 -14.9646 -14.8756 -14.8756 -14.8183 -14.8183 -2.5763 -2.5763 6.3906 6.3906 8.4774 8.4774 8.4895 8.4895 13.5673 13.5673 16.5180 16.5180 17.1584 17.1584 17.1813 17.1813 k = 0.3725 0.2151 0.1521 ( 2500 PWs) bands (ev): -44.8479 -44.8479 -43.0136 -43.0136 -42.9766 -42.9766 -16.9966 -16.9966 -16.8332 -16.8332 -16.8241 -16.8241 -15.1434 -15.1434 -15.0425 -15.0425 -14.9773 -14.9773 -14.9635 -14.9635 -14.8784 -14.8784 -14.8212 -14.8212 -2.5604 -2.5604 6.3509 6.3509 8.4729 8.4729 8.4851 8.4851 13.6267 13.6267 16.4669 16.4669 17.1330 17.1330 17.1561 17.1561 k = 0.3824 0.2208 0.1561 ( 2500 PWs) bands (ev): -44.8476 -44.8476 -43.0125 -43.0125 -42.9781 -42.9781 -16.9973 -16.9973 -16.8342 -16.8342 -16.8250 -16.8250 -15.1413 -15.1413 -15.0436 -15.0436 -14.9739 -14.9739 -14.9627 -14.9627 -14.8809 -14.8809 -14.8239 -14.8239 -2.5454 -2.5454 6.3140 6.3140 8.4687 8.4687 8.4809 8.4809 13.6829 13.6829 16.4178 16.4178 17.1095 17.1095 17.1328 17.1328 k = 0.3922 0.2264 0.1601 ( 2500 PWs) bands (ev): -44.8472 -44.8472 -43.0114 -43.0114 -42.9796 -42.9796 -16.9980 -16.9980 -16.8352 -16.8352 -16.8258 -16.8258 -15.1395 -15.1395 -15.0444 -15.0444 -14.9707 -14.9707 -14.9620 -14.9620 -14.8831 -14.8831 -14.8266 -14.8266 -2.5313 -2.5313 6.2798 6.2798 8.4648 8.4648 8.4770 8.4770 13.7359 13.7359 16.3709 16.3709 17.0879 17.0879 17.1113 17.1113 k = 0.4020 0.2321 0.1641 ( 2494 PWs) bands (ev): -44.8469 -44.8469 -43.0102 -43.0102 -42.9810 -42.9810 -16.9986 -16.9986 -16.8360 -16.8360 -16.8265 -16.8265 -15.1380 -15.1380 -15.0450 -15.0450 -14.9675 -14.9675 -14.9615 -14.9615 -14.8851 -14.8851 -14.8292 -14.8292 -2.5182 -2.5182 6.2485 6.2485 8.4612 8.4612 8.4734 8.4734 13.7853 13.7853 16.3265 16.3265 17.0681 17.0681 17.0917 17.0917 k = 0.4118 0.2377 0.1681 ( 2491 PWs) bands (ev): -44.8466 -44.8466 -43.0091 -43.0091 -42.9825 -42.9825 -16.9992 -16.9992 -16.8368 -16.8368 -16.8271 -16.8271 -15.1366 -15.1366 -15.0454 -15.0454 -14.9646 -14.9646 -14.9611 -14.9611 -14.8868 -14.8868 -14.8316 -14.8316 -2.5062 -2.5062 6.2200 6.2200 8.4579 8.4579 8.4702 8.4702 13.8311 13.8311 16.2849 16.2849 17.0502 17.0502 17.0739 17.0739 k = 0.4216 0.2434 0.1721 ( 2491 PWs) bands (ev): -44.8463 -44.8463 -43.0079 -43.0079 -42.9839 -42.9839 -16.9997 -16.9997 -16.8375 -16.8375 -16.8278 -16.8278 -15.1355 -15.1355 -15.0456 -15.0456 -14.9618 -14.9618 -14.9610 -14.9610 -14.8883 -14.8883 -14.8340 -14.8340 -2.4954 -2.4954 6.1943 6.1943 8.4550 8.4550 8.4672 8.4672 13.8729 13.8729 16.2464 16.2464 17.0342 17.0342 17.0579 17.0579 k = 0.4314 0.2491 0.1761 ( 2497 PWs) bands (ev): -44.8461 -44.8461 -43.0067 -43.0067 -42.9854 -42.9854 -17.0003 -17.0003 -16.8382 -16.8382 -16.8284 -16.8284 -15.1347 -15.1347 -15.0457 -15.0457 -14.9610 -14.9610 -14.9593 -14.9593 -14.8896 -14.8896 -14.8362 -14.8362 -2.4856 -2.4856 6.1716 6.1716 8.4523 8.4523 8.4645 8.4645 13.9107 13.9107 16.2113 16.2113 17.0200 17.0200 17.0439 17.0439 k = 0.4412 0.2547 0.1801 ( 2503 PWs) bands (ev): -44.8459 -44.8459 -43.0055 -43.0055 -42.9868 -42.9868 -17.0007 -17.0007 -16.8388 -16.8388 -16.8289 -16.8289 -15.1341 -15.1341 -15.0456 -15.0456 -14.9612 -14.9612 -14.9570 -14.9570 -14.8906 -14.8906 -14.8382 -14.8382 -2.4771 -2.4771 6.1519 6.1519 8.4500 8.4500 8.4622 8.4622 13.9441 13.9441 16.1801 16.1801 17.0077 17.0077 17.0317 17.0317 k = 0.4510 0.2604 0.1841 ( 2500 PWs) bands (ev): -44.8457 -44.8457 -43.0043 -43.0043 -42.9882 -42.9882 -17.0011 -17.0011 -16.8392 -16.8392 -16.8293 -16.8293 -15.1335 -15.1335 -15.0454 -15.0454 -14.9614 -14.9614 -14.9550 -14.9550 -14.8914 -14.8914 -14.8399 -14.8399 -2.4699 -2.4699 6.1351 6.1351 8.4480 8.4480 8.4603 8.4603 13.9729 13.9729 16.1529 16.1529 16.9973 16.9973 17.0213 17.0213 k = 0.4608 0.2660 0.1881 ( 2506 PWs) bands (ev): -44.8455 -44.8455 -43.0031 -43.0031 -42.9895 -42.9895 -17.0014 -17.0014 -16.8397 -16.8397 -16.8296 -16.8296 -15.1332 -15.1332 -15.0453 -15.0453 -14.9617 -14.9617 -14.9533 -14.9533 -14.8921 -14.8921 -14.8414 -14.8414 -2.4639 -2.4639 6.1214 6.1214 8.4464 8.4464 8.4586 8.4586 13.9969 13.9969 16.1302 16.1302 16.9888 16.9888 17.0129 17.0129 k = 0.4706 0.2717 0.1921 ( 2506 PWs) bands (ev): -44.8454 -44.8454 -43.0020 -43.0020 -42.9908 -42.9908 -17.0016 -17.0016 -16.8400 -16.8400 -16.8299 -16.8299 -15.1329 -15.1329 -15.0451 -15.0451 -14.9619 -14.9619 -14.9519 -14.9519 -14.8925 -14.8925 -14.8426 -14.8426 -2.4592 -2.4592 6.1107 6.1107 8.4451 8.4451 8.4574 8.4574 14.0158 14.0158 16.1122 16.1122 16.9821 16.9821 17.0063 17.0063 k = 0.4804 0.2774 0.1961 ( 2506 PWs) bands (ev): -44.8453 -44.8453 -43.0011 -43.0011 -42.9918 -42.9918 -17.0018 -17.0018 -16.8403 -16.8403 -16.8300 -16.8300 -15.1327 -15.1327 -15.0449 -15.0449 -14.9621 -14.9621 -14.9510 -14.9510 -14.8929 -14.8929 -14.8434 -14.8434 -2.4558 -2.4558 6.1030 6.1030 8.4442 8.4442 8.4565 8.4565 14.0294 14.0294 16.0991 16.0991 16.9774 16.9774 17.0016 17.0016 k = 0.4902 0.2830 0.2001 ( 2506 PWs) bands (ev): -44.8453 -44.8453 -43.0003 -43.0003 -42.9926 -42.9926 -17.0019 -17.0019 -16.8404 -16.8404 -16.8302 -16.8302 -15.1326 -15.1326 -15.0448 -15.0448 -14.9622 -14.9622 -14.9503 -14.9503 -14.8930 -14.8930 -14.8439 -14.8439 -2.4538 -2.4538 6.0984 6.0984 8.4436 8.4436 8.4559 8.4559 14.0377 14.0377 16.0912 16.0912 16.9746 16.9746 16.9988 16.9988 k = 0.5000 0.2887 0.2041 ( 2512 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1326 -15.1326 -15.0448 -15.0448 -14.9623 -14.9623 -14.9502 -14.9502 -14.8931 -14.8931 -14.8441 -14.8441 -2.4531 -2.4531 6.0969 6.0969 8.4435 8.4435 8.4557 8.4557 14.0405 14.0405 16.0886 16.0886 16.9736 16.9736 16.9979 16.9979 k = 0.5000 0.2887 0.2041 ( 2512 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1326 -15.1326 -15.0448 -15.0448 -14.9623 -14.9623 -14.9502 -14.9502 -14.8931 -14.8931 -14.8441 -14.8441 -2.4531 -2.4531 6.0969 6.0969 8.4435 8.4435 8.4557 8.4557 14.0405 14.0405 16.0886 16.0886 16.9736 16.9736 16.9979 16.9979 k = 0.5035 0.2787 0.2098 ( 2502 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0019 -17.0019 -16.8404 -16.8404 -16.8302 -16.8302 -15.1326 -15.1326 -15.0451 -15.0451 -14.9622 -14.9622 -14.9501 -14.9501 -14.8928 -14.8928 -14.8440 -14.8440 -2.4529 -2.4529 6.0979 6.0979 8.4421 8.4421 8.4545 8.4545 14.0439 14.0439 16.0819 16.0819 16.9761 16.9761 17.0002 17.0002 k = 0.5069 0.2686 0.2155 ( 2502 PWs) bands (ev): -44.8452 -44.8452 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1329 -15.1329 -15.0463 -15.0463 -14.9619 -14.9619 -14.9500 -14.9500 -14.8921 -14.8921 -14.8435 -14.8435 -2.4523 -2.4523 6.1010 6.1010 8.4372 8.4372 8.4518 8.4518 14.0541 14.0541 16.0621 16.0621 16.9830 16.9830 17.0074 17.0074 k = 0.5104 0.2586 0.2211 ( 2502 PWs) bands (ev): -44.8452 -44.8452 -43.0000 -43.0000 -42.9929 -42.9929 -17.0021 -17.0021 -16.8406 -16.8406 -16.8304 -16.8304 -15.1332 -15.1332 -15.0482 -15.0482 -14.9617 -14.9617 -14.9498 -14.9498 -14.8908 -14.8908 -14.8428 -14.8428 -2.4514 -2.4514 6.1060 6.1060 8.4274 8.4274 8.4489 8.4489 14.0710 14.0710 16.0305 16.0305 16.9937 16.9937 17.0192 17.0192 k = 0.5139 0.2486 0.2268 ( 2500 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9930 -42.9930 -17.0022 -17.0022 -16.8408 -16.8408 -16.8305 -16.8305 -15.1337 -15.1337 -15.0508 -15.0508 -14.9615 -14.9615 -14.9492 -14.9492 -14.8892 -14.8892 -14.8418 -14.8418 -2.4500 -2.4500 6.1131 6.1131 8.4125 8.4125 8.4462 8.4462 14.0945 14.0945 15.9884 15.9884 17.0074 17.0074 17.0350 17.0350 k = 0.5174 0.2386 0.2325 ( 2503 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9931 -42.9931 -17.0024 -17.0024 -16.8411 -16.8411 -16.8307 -16.8307 -15.1344 -15.1344 -15.0539 -15.0539 -14.9618 -14.9618 -14.9482 -14.9482 -14.8872 -14.8872 -14.8406 -14.8406 -2.4482 -2.4482 6.1222 6.1222 8.3930 8.3930 8.4433 8.4433 14.1243 14.1243 15.9374 15.9374 17.0240 17.0240 17.0536 17.0536 k = 0.5208 0.2285 0.2381 ( 2499 PWs) bands (ev): -44.8450 -44.8450 -43.0000 -43.0000 -42.9932 -42.9932 -17.0026 -17.0026 -16.8415 -16.8415 -16.8309 -16.8309 -15.1352 -15.1352 -15.0574 -15.0574 -14.9623 -14.9623 -14.9466 -14.9466 -14.8849 -14.8849 -14.8390 -14.8390 -2.4461 -2.4461 6.1333 6.1333 8.3694 8.3694 8.4400 8.4400 14.1602 14.1602 15.8791 15.8791 17.0433 17.0433 17.0739 17.0739 k = 0.5243 0.2185 0.2438 ( 2502 PWs) bands (ev): -44.8449 -44.8449 -43.0000 -43.0000 -42.9933 -42.9933 -17.0029 -17.0029 -16.8419 -16.8419 -16.8311 -16.8311 -15.1363 -15.1363 -15.0614 -15.0614 -14.9631 -14.9631 -14.9448 -14.9448 -14.8823 -14.8823 -14.8372 -14.8372 -2.4436 -2.4436 6.1463 6.1463 8.3419 8.3419 8.4363 8.4363 14.2017 14.2017 15.8149 15.8149 17.0655 17.0655 17.0947 17.0947 k = 0.5278 0.2085 0.2495 ( 2500 PWs) bands (ev): -44.8447 -44.8447 -43.0000 -43.0000 -42.9934 -42.9934 -17.0032 -17.0032 -16.8425 -16.8425 -16.8313 -16.8313 -15.1375 -15.1375 -15.0654 -15.0654 -14.9640 -14.9640 -14.9427 -14.9427 -14.8796 -14.8796 -14.8352 -14.8352 -2.4408 -2.4408 6.1613 6.1613 8.3109 8.3109 8.4322 8.4322 14.2485 14.2485 15.7462 15.7462 17.0901 17.0901 17.1155 17.1155 k = 0.5312 0.1985 0.2552 ( 2504 PWs) bands (ev): -44.8446 -44.8446 -43.0000 -43.0000 -42.9936 -42.9936 -17.0036 -17.0036 -16.8432 -16.8432 -16.8314 -16.8314 -15.1390 -15.1390 -15.0697 -15.0697 -14.9651 -14.9651 -14.9405 -14.9405 -14.8767 -14.8767 -14.8330 -14.8330 -2.4377 -2.4377 6.1781 6.1781 8.2765 8.2765 8.4276 8.4276 14.3001 14.3001 15.6741 15.6741 17.1162 17.1162 17.1367 17.1367 k = 0.5347 0.1884 0.2608 ( 2497 PWs) bands (ev): -44.8445 -44.8445 -42.9999 -42.9999 -42.9937 -42.9937 -17.0039 -17.0039 -16.8440 -16.8440 -16.8314 -16.8314 -15.1408 -15.1408 -15.0739 -15.0739 -14.9661 -14.9661 -14.9382 -14.9382 -14.8736 -14.8736 -14.8306 -14.8306 -2.4342 -2.4342 6.1969 6.1969 8.2391 8.2391 8.4226 8.4226 14.3558 14.3558 15.5997 15.5997 17.1405 17.1405 17.1610 17.1610 k = 0.5382 0.1784 0.2665 ( 2501 PWs) bands (ev): -44.8443 -44.8443 -42.9999 -42.9999 -42.9939 -42.9939 -17.0044 -17.0044 -16.8450 -16.8450 -16.8314 -16.8314 -15.1430 -15.1430 -15.0781 -15.0781 -14.9670 -14.9670 -14.9360 -14.9360 -14.8704 -14.8704 -14.8280 -14.8280 -2.4304 -2.4304 6.2175 6.2175 8.1989 8.1989 8.4172 8.4172 14.4149 14.4149 15.5241 15.5241 17.1596 17.1596 17.1916 17.1916 k = 0.5417 0.1684 0.2722 ( 2499 PWs) bands (ev): -44.8442 -44.8442 -42.9999 -42.9999 -42.9940 -42.9940 -17.0049 -17.0049 -16.8461 -16.8461 -16.8313 -16.8313 -15.1454 -15.1454 -15.0821 -15.0821 -14.9679 -14.9679 -14.9339 -14.9339 -14.8671 -14.8671 -14.8254 -14.8254 -2.4264 -2.4264 6.2399 6.2399 8.1563 8.1563 8.4114 8.4114 14.4763 14.4763 15.4486 15.4486 17.1747 17.1747 17.2270 17.2270 k = 0.5451 0.1584 0.2778 ( 2499 PWs) bands (ev): -44.8440 -44.8440 -42.9999 -42.9999 -42.9942 -42.9942 -17.0054 -17.0054 -16.8473 -16.8473 -16.8311 -16.8311 -15.1483 -15.1483 -15.0859 -15.0859 -14.9688 -14.9688 -14.9318 -14.9318 -14.8637 -14.8637 -14.8226 -14.8226 -2.4221 -2.4221 6.2641 6.2641 8.1116 8.1116 8.4052 8.4052 14.5385 14.5385 15.3748 15.3748 17.1873 17.1873 17.2657 17.2657 k = 0.5486 0.1483 0.2835 ( 2497 PWs) bands (ev): -44.8438 -44.8438 -42.9999 -42.9999 -42.9944 -42.9944 -17.0060 -17.0060 -16.8486 -16.8486 -16.8309 -16.8309 -15.1516 -15.1516 -15.0894 -15.0894 -14.9695 -14.9695 -14.9298 -14.9298 -14.8602 -14.8602 -14.8197 -14.8197 -2.4175 -2.4175 6.2900 6.2900 8.0651 8.0651 8.3987 8.3987 14.5991 14.5991 15.3051 15.3051 17.1977 17.1977 17.3070 17.3070 k = 0.5521 0.1383 0.2892 ( 2503 PWs) bands (ev): -44.8436 -44.8436 -42.9999 -42.9999 -42.9946 -42.9946 -17.0066 -17.0066 -16.8500 -16.8500 -16.8306 -16.8306 -15.1554 -15.1554 -15.0925 -15.0925 -14.9702 -14.9702 -14.9279 -14.9279 -14.8567 -14.8567 -14.8169 -14.8169 -2.4128 -2.4128 6.3175 6.3175 8.0170 8.0170 8.3919 8.3919 14.6540 14.6540 15.2436 15.2436 17.2064 17.2064 17.3506 17.3506 k = 0.5556 0.1283 0.2948 ( 2505 PWs) bands (ev): -44.8434 -44.8434 -43.0000 -43.0000 -42.9947 -42.9947 -17.0073 -17.0073 -16.8515 -16.8515 -16.8303 -16.8303 -15.1596 -15.1596 -15.0952 -15.0952 -14.9708 -14.9708 -14.9261 -14.9261 -14.8532 -14.8532 -14.8140 -14.8140 -2.4079 -2.4079 6.3466 6.3466 7.9676 7.9676 8.3849 8.3849 14.6964 14.6964 15.1969 15.1969 17.2136 17.2136 17.3963 17.3963 k = 0.5590 0.1183 0.3005 ( 2505 PWs) bands (ev): -44.8432 -44.8432 -43.0000 -43.0000 -42.9949 -42.9949 -17.0080 -17.0080 -16.8531 -16.8531 -16.8298 -16.8298 -15.1641 -15.1641 -15.0975 -15.0975 -14.9713 -14.9713 -14.9244 -14.9244 -14.8496 -14.8496 -14.8111 -14.8111 -2.4028 -2.4028 6.3772 6.3772 7.9173 7.9173 8.3777 8.3777 14.7165 14.7165 15.1748 15.1748 17.2195 17.2195 17.4437 17.4437 k = 0.5625 0.1083 0.3062 ( 2502 PWs) bands (ev): -44.8430 -44.8430 -43.0001 -43.0001 -42.9950 -42.9950 -17.0087 -17.0087 -16.8547 -16.8547 -16.8293 -16.8293 -15.1689 -15.1689 -15.0995 -15.0995 -14.9717 -14.9717 -14.9228 -14.9228 -14.8460 -14.8460 -14.8082 -14.8082 -2.3977 -2.3977 6.4093 6.4093 7.8662 7.8662 8.3703 8.3703 14.7070 14.7070 15.1843 15.1843 17.2245 17.2245 17.4927 17.4927 k = 0.5660 0.0982 0.3119 ( 2503 PWs) bands (ev): -44.8428 -44.8428 -43.0002 -43.0002 -42.9951 -42.9951 -17.0094 -17.0094 -16.8564 -16.8564 -16.8287 -16.8287 -15.1740 -15.1740 -15.1011 -15.1011 -14.9720 -14.9720 -14.9213 -14.9213 -14.8424 -14.8424 -14.8054 -14.8054 -2.3924 -2.3924 6.4427 6.4427 7.8146 7.8146 8.3627 8.3627 14.6706 14.6706 15.2224 15.2224 17.2288 17.2288 17.5429 17.5429 k = 0.5694 0.0882 0.3175 ( 2505 PWs) bands (ev): -44.8426 -44.8426 -43.0003 -43.0003 -42.9952 -42.9952 -17.0102 -17.0102 -16.8581 -16.8581 -16.8281 -16.8281 -15.1793 -15.1793 -15.1024 -15.1024 -14.9723 -14.9723 -14.9198 -14.9198 -14.8389 -14.8389 -14.8026 -14.8026 -2.3871 -2.3871 6.4774 6.4774 7.7629 7.7629 8.3550 8.3550 14.6166 14.6166 15.2794 15.2794 17.2329 17.2329 17.5943 17.5943 k = 0.5729 0.0782 0.3232 ( 2505 PWs) bands (ev): -44.8423 -44.8423 -43.0005 -43.0005 -42.9952 -42.9952 -17.0110 -17.0110 -16.8599 -16.8599 -16.8274 -16.8274 -15.1848 -15.1848 -15.1035 -15.1035 -14.9726 -14.9726 -14.9184 -14.9184 -14.8354 -14.8354 -14.7999 -14.7999 -2.3817 -2.3817 6.5132 6.5132 7.7112 7.7112 8.3472 8.3472 14.5530 14.5530 15.3470 15.3470 17.2371 17.2371 17.6464 17.6464 k = 0.5764 0.0682 0.3289 ( 2505 PWs) bands (ev): -44.8421 -44.8421 -43.0007 -43.0007 -42.9951 -42.9951 -17.0118 -17.0118 -16.8616 -16.8616 -16.8267 -16.8267 -15.1904 -15.1904 -15.1043 -15.1043 -14.9729 -14.9729 -14.9170 -14.9170 -14.8320 -14.8320 -14.7973 -14.7973 -2.3764 -2.3764 6.5501 6.5501 7.6599 7.6599 8.3394 8.3394 14.4844 14.4844 15.4201 15.4201 17.2419 17.2419 17.6990 17.6990 k = 0.5799 0.0581 0.3345 ( 2509 PWs) bands (ev): -44.8419 -44.8419 -43.0010 -43.0010 -42.9951 -42.9951 -17.0126 -17.0126 -16.8634 -16.8634 -16.8260 -16.8260 -15.1960 -15.1960 -15.1049 -15.1049 -14.9731 -14.9731 -14.9156 -14.9156 -14.8286 -14.8286 -14.7948 -14.7948 -2.3711 -2.3711 6.5877 6.5877 7.6091 7.6091 8.3316 8.3316 14.4137 14.4137 15.4953 15.4953 17.2476 17.2476 17.7518 17.7518 k = 0.5833 0.0481 0.3402 ( 2501 PWs) bands (ev): -44.8417 -44.8417 -43.0013 -43.0013 -42.9949 -42.9949 -17.0134 -17.0134 -16.8651 -16.8651 -16.8251 -16.8251 -15.2015 -15.2015 -15.1053 -15.1053 -14.9733 -14.9733 -14.9142 -14.9142 -14.8254 -14.8254 -14.7923 -14.7923 -2.3659 -2.3659 6.6260 6.6260 7.5593 7.5593 8.3238 8.3238 14.3425 14.3425 15.5706 15.5706 17.2548 17.2548 17.8046 17.8046 k = 0.5868 0.0381 0.3459 ( 2515 PWs) bands (ev): -44.8415 -44.8415 -43.0017 -43.0017 -42.9948 -42.9948 -17.0143 -17.0143 -16.8669 -16.8669 -16.8244 -16.8244 -15.2071 -15.2071 -15.1056 -15.1056 -14.9737 -14.9737 -14.9129 -14.9129 -14.8223 -14.8223 -14.7901 -14.7901 -2.3609 -2.3609 6.6647 6.6647 7.5107 7.5107 8.3161 8.3161 14.2715 14.2715 15.6443 15.6443 17.2638 17.2638 17.8571 17.8571 k = 0.5903 0.0281 0.3515 ( 2513 PWs) bands (ev): -44.8413 -44.8413 -43.0021 -43.0021 -42.9946 -42.9946 -17.0151 -17.0151 -16.8686 -16.8686 -16.8235 -16.8235 -15.2125 -15.2125 -15.1058 -15.1058 -14.9739 -14.9739 -14.9115 -14.9115 -14.8193 -14.8193 -14.7879 -14.7879 -2.3560 -2.3560 6.7034 6.7034 7.4638 7.4638 8.3085 8.3085 14.2015 14.2015 15.7152 15.7152 17.2752 17.2752 17.9091 17.9091 k = 0.5938 0.0180 0.3572 ( 2511 PWs) bands (ev): -44.8411 -44.8411 -43.0025 -43.0025 -42.9944 -42.9944 -17.0159 -17.0159 -16.8702 -16.8702 -16.8226 -16.8226 -15.2177 -15.2177 -15.1058 -15.1058 -14.9742 -14.9742 -14.9101 -14.9101 -14.8164 -14.8164 -14.7858 -14.7858 -2.3513 -2.3513 6.7417 6.7417 7.4191 7.4191 8.3010 8.3010 14.1330 14.1330 15.7822 15.7822 17.2893 17.2893 17.9602 17.9602 k = 0.5972 0.0080 0.3629 ( 2513 PWs) bands (ev): -44.8410 -44.8410 -43.0030 -43.0030 -42.9941 -42.9941 -17.0167 -17.0167 -16.8719 -16.8719 -16.8216 -16.8216 -15.2228 -15.2228 -15.1058 -15.1058 -14.9746 -14.9746 -14.9087 -14.9087 -14.8136 -14.8136 -14.7839 -14.7839 -2.3468 -2.3468 6.7789 6.7789 7.3773 7.3773 8.2937 8.2937 14.0662 14.0662 15.8445 15.8445 17.3062 17.3062 18.0103 18.0103 k = 0.6007-0.0020 0.3686 ( 2513 PWs) bands (ev): -44.8408 -44.8408 -43.0035 -43.0035 -42.9938 -42.9938 -17.0174 -17.0174 -16.8735 -16.8735 -16.8207 -16.8207 -15.2277 -15.2277 -15.1057 -15.1057 -14.9750 -14.9750 -14.9072 -14.9072 -14.8110 -14.8110 -14.7822 -14.7822 -2.3426 -2.3426 6.8141 6.8141 7.3393 7.3393 8.2866 8.2866 14.0014 14.0014 15.9012 15.9012 17.3262 17.3262 18.0592 18.0592 k = 0.6042-0.0120 0.3742 ( 2509 PWs) bands (ev): -44.8406 -44.8406 -43.0039 -43.0039 -42.9934 -42.9934 -17.0181 -17.0181 -16.8750 -16.8750 -16.8197 -16.8197 -15.2323 -15.2323 -15.1056 -15.1056 -14.9754 -14.9754 -14.9057 -14.9057 -14.8085 -14.8085 -14.7806 -14.7806 -2.3388 -2.3388 6.8460 6.8460 7.3065 7.3065 8.2797 8.2797 13.9389 13.9389 15.9518 15.9518 17.3489 17.3489 18.1066 18.1066 k = 0.6076-0.0221 0.3799 ( 2513 PWs) bands (ev): -44.8405 -44.8405 -43.0045 -43.0045 -42.9930 -42.9930 -17.0189 -17.0189 -16.8764 -16.8764 -16.8187 -16.8187 -15.2366 -15.2366 -15.1054 -15.1054 -14.9759 -14.9759 -14.9042 -14.9042 -14.8062 -14.8062 -14.7793 -14.7793 -2.3353 -2.3353 6.8725 6.8725 7.2810 7.2810 8.2731 8.2731 13.8787 13.8787 15.9960 15.9960 17.3738 17.3738 18.1524 18.1524 k = 0.6111-0.0321 0.3856 ( 2515 PWs) bands (ev): -44.8404 -44.8404 -43.0050 -43.0050 -42.9926 -42.9926 -17.0196 -17.0196 -16.8778 -16.8778 -16.8177 -16.8177 -15.2408 -15.2408 -15.1053 -15.1053 -14.9765 -14.9765 -14.9027 -14.9027 -14.8039 -14.8039 -14.7781 -14.7781 -2.3321 -2.3321 6.8913 6.8913 7.2651 7.2651 8.2667 8.2667 13.8210 13.8210 16.0337 16.0337 17.4000 17.4000 18.1965 18.1965 k = 0.6146-0.0421 0.3912 ( 2507 PWs) bands (ev): -44.8402 -44.8402 -43.0055 -43.0055 -42.9922 -42.9922 -17.0201 -17.0201 -16.8790 -16.8790 -16.8166 -16.8166 -15.2445 -15.2445 -15.1050 -15.1050 -14.9770 -14.9770 -14.9011 -14.9011 -14.8017 -14.8017 -14.7771 -14.7771 -2.3294 -2.3294 6.9002 6.9002 7.2609 7.2609 8.2607 8.2607 13.7660 13.7660 16.0651 16.0651 17.4263 17.4263 18.2388 18.2388 k = 0.6181-0.0521 0.3969 ( 2509 PWs) bands (ev): -44.8401 -44.8401 -43.0061 -43.0061 -42.9917 -42.9917 -17.0207 -17.0207 -16.8803 -16.8803 -16.8156 -16.8156 -15.2480 -15.2480 -15.1049 -15.1049 -14.9777 -14.9777 -14.8995 -14.8995 -14.7997 -14.7997 -14.7763 -14.7763 -2.3272 -2.3272 6.8986 6.8986 7.2693 7.2693 8.2550 8.2550 13.7136 13.7136 16.0904 16.0904 17.4509 17.4509 18.2791 18.2791 k = 0.6215-0.0621 0.4026 ( 2509 PWs) bands (ev): -44.8401 -44.8401 -43.0067 -43.0067 -42.9912 -42.9912 -17.0212 -17.0212 -16.8814 -16.8814 -16.8146 -16.8146 -15.2511 -15.2511 -15.1048 -15.1048 -14.9784 -14.9784 -14.8979 -14.8979 -14.7978 -14.7978 -14.7758 -14.7758 -2.3255 -2.3255 6.8876 6.8876 7.2887 7.2887 8.2497 8.2497 13.6641 13.6641 16.1102 16.1102 17.4720 17.4720 18.3176 18.3176 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.6190-0.0687 0.4180 ( 2506 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9907 -42.9907 -17.0217 -17.0217 -16.8824 -16.8824 -16.8136 -16.8136 -15.2538 -15.2538 -15.1049 -15.1049 -14.9790 -14.9790 -14.8964 -14.8964 -14.7959 -14.7959 -14.7754 -14.7754 -2.3242 -2.3242 6.8708 6.8708 7.3171 7.3171 8.2426 8.2426 13.6193 13.6193 16.1271 16.1271 17.4867 17.4867 18.3259 18.3259 k = 0.6131-0.0653 0.4277 ( 2506 PWs) bands (ev): -44.8400 -44.8400 -43.0072 -43.0072 -42.9907 -42.9907 -17.0217 -17.0217 -16.8822 -16.8822 -16.8138 -16.8138 -15.2537 -15.2537 -15.1053 -15.1053 -14.9786 -14.9786 -14.8968 -14.8968 -14.7957 -14.7957 -14.7755 -14.7755 -2.3240 -2.3240 6.8733 6.8733 7.3179 7.3179 8.2363 8.2363 13.6251 13.6251 16.1327 16.1327 17.4833 17.4833 18.2591 18.2591 k = 0.6071-0.0619 0.4374 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0071 -43.0071 -42.9908 -42.9908 -17.0218 -17.0218 -16.8819 -16.8819 -16.8140 -16.8140 -15.2534 -15.2534 -15.1058 -15.1058 -14.9778 -14.9778 -14.8973 -14.8973 -14.7953 -14.7953 -14.7756 -14.7756 -2.3236 -2.3236 6.8775 6.8775 7.3194 7.3194 8.2259 8.2259 13.6345 13.6345 16.1422 16.1422 17.4777 17.4777 18.1766 18.1766 k = 0.6012-0.0584 0.4471 ( 2509 PWs) bands (ev): -44.8400 -44.8400 -43.0070 -43.0070 -42.9910 -42.9910 -17.0219 -17.0219 -16.8817 -16.8817 -16.8144 -16.8144 -15.2532 -15.2532 -15.1067 -15.1067 -14.9768 -14.9768 -14.8982 -14.8982 -14.7948 -14.7948 -14.7757 -14.7757 -2.3232 -2.3232 6.8834 6.8834 7.3214 7.3214 8.2116 8.2116 13.6474 13.6474 16.1554 16.1554 17.4698 17.4698 18.0884 18.0884 k = 0.5952-0.0550 0.4568 ( 2505 PWs) bands (ev): -44.8399 -44.8399 -43.0068 -43.0068 -42.9912 -42.9912 -17.0220 -17.0220 -16.8812 -16.8812 -16.8149 -16.8149 -15.2528 -15.2528 -15.1077 -15.1077 -14.9755 -14.9755 -14.8992 -14.8992 -14.7941 -14.7941 -14.7759 -14.7759 -2.3226 -2.3226 6.8909 6.8909 7.3238 7.3238 8.1936 8.1936 13.6634 13.6634 16.1725 16.1725 17.4597 17.4597 17.9987 17.9987 k = 0.5893-0.0515 0.4666 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0066 -43.0066 -42.9914 -42.9914 -17.0222 -17.0222 -16.8808 -16.8808 -16.8155 -16.8155 -15.2524 -15.2524 -15.1089 -15.1089 -14.9740 -14.9740 -14.9005 -14.9005 -14.7934 -14.7934 -14.7761 -14.7761 -2.3219 -2.3219 6.9001 6.9001 7.3265 7.3265 8.1722 8.1722 13.6823 13.6823 16.1934 16.1934 17.4475 17.4475 17.9091 17.9091 k = 0.5833-0.0481 0.4763 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0063 -43.0063 -42.9917 -42.9917 -17.0223 -17.0223 -16.8802 -16.8802 -16.8161 -16.8161 -15.2519 -15.2519 -15.1102 -15.1102 -14.9722 -14.9722 -14.9021 -14.9021 -14.7925 -14.7925 -14.7763 -14.7763 -2.3210 -2.3210 6.9108 6.9108 7.3295 7.3295 8.1478 8.1478 13.7034 13.7034 16.2182 16.2182 17.4331 17.4331 17.8209 17.8209 k = 0.5774-0.0447 0.4860 ( 2508 PWs) bands (ev): -44.8399 -44.8399 -43.0060 -43.0060 -42.9920 -42.9920 -17.0225 -17.0225 -16.8796 -16.8796 -16.8168 -16.8168 -15.2514 -15.2514 -15.1116 -15.1116 -14.9703 -14.9703 -14.9037 -14.9037 -14.7916 -14.7916 -14.7766 -14.7766 -2.3201 -2.3201 6.9232 6.9232 7.3325 7.3325 8.1209 8.1209 13.7264 13.7264 16.2470 16.2470 17.4166 17.4166 17.7346 17.7346 k = 0.5714-0.0412 0.4957 ( 2505 PWs) bands (ev): -44.8398 -44.8398 -43.0057 -43.0057 -42.9924 -42.9924 -17.0226 -17.0226 -16.8790 -16.8790 -16.8176 -16.8176 -15.2508 -15.2508 -15.1130 -15.1130 -14.9682 -14.9682 -14.9055 -14.9055 -14.7905 -14.7905 -14.7768 -14.7768 -2.3192 -2.3192 6.9372 6.9372 7.3354 7.3354 8.0919 8.0919 13.7507 13.7507 16.2796 16.2796 17.3981 17.3981 17.6507 17.6507 k = 0.5655-0.0378 0.5055 ( 2509 PWs) bands (ev): -44.8398 -44.8398 -43.0054 -43.0054 -42.9928 -42.9928 -17.0228 -17.0228 -16.8783 -16.8783 -16.8184 -16.8184 -15.2503 -15.2503 -15.1145 -15.1145 -14.9659 -14.9659 -14.9076 -14.9076 -14.7895 -14.7895 -14.7771 -14.7771 -2.3181 -2.3181 6.9527 6.9527 7.3378 7.3378 8.0613 8.0613 13.7757 13.7757 16.3161 16.3161 17.3777 17.3777 17.5696 17.5696 k = 0.5595-0.0344 0.5152 ( 2507 PWs) bands (ev): -44.8398 -44.8398 -43.0050 -43.0050 -42.9932 -42.9932 -17.0230 -17.0230 -16.8776 -16.8776 -16.8193 -16.8193 -15.2498 -15.2498 -15.1160 -15.1160 -14.9635 -14.9635 -14.9096 -14.9096 -14.7885 -14.7885 -14.7774 -14.7774 -2.3170 -2.3170 6.9697 6.9697 7.3395 7.3395 8.0299 8.0299 13.8009 13.8009 16.3565 16.3565 17.3553 17.3553 17.4916 17.4916 k = 0.5536-0.0309 0.5249 ( 2508 PWs) bands (ev): -44.8397 -44.8397 -43.0045 -43.0045 -42.9937 -42.9937 -17.0232 -17.0232 -16.8769 -16.8769 -16.8202 -16.8202 -15.2492 -15.2492 -15.1174 -15.1174 -14.9610 -14.9610 -14.9119 -14.9119 -14.7874 -14.7874 -14.7777 -14.7777 -2.3159 -2.3159 6.9882 6.9882 7.3400 7.3400 7.9983 7.9983 13.8257 13.8257 16.4006 16.4006 17.3310 17.3310 17.4172 17.4172 k = 0.5476-0.0275 0.5346 ( 2510 PWs) bands (ev): -44.8397 -44.8397 -43.0041 -43.0041 -42.9942 -42.9942 -17.0233 -17.0233 -16.8762 -16.8762 -16.8210 -16.8210 -15.2487 -15.2487 -15.1187 -15.1187 -14.9585 -14.9585 -14.9142 -14.9142 -14.7864 -14.7864 -14.7780 -14.7780 -2.3149 -2.3149 7.0082 7.0082 7.3389 7.3389 7.9672 7.9672 13.8495 13.8495 16.4484 16.4484 17.3050 17.3050 17.3466 17.3466 k = 0.5417-0.0241 0.5443 ( 2508 PWs) bands (ev): -44.8396 -44.8396 -43.0036 -43.0036 -42.9947 -42.9947 -17.0235 -17.0235 -16.8755 -16.8755 -16.8218 -16.8218 -15.2482 -15.2482 -15.1200 -15.1200 -14.9558 -14.9558 -14.9166 -14.9166 -14.7854 -14.7854 -14.7783 -14.7783 -2.3138 -2.3138 7.0295 7.0295 7.3356 7.3356 7.9377 7.9377 13.8718 13.8718 16.4994 16.4994 17.2759 17.2759 17.2816 17.2816 k = 0.5357-0.0206 0.5541 ( 2505 PWs) bands (ev): -44.8396 -44.8396 -43.0030 -43.0030 -42.9953 -42.9953 -17.0236 -17.0236 -16.8748 -16.8748 -16.8226 -16.8226 -15.2478 -15.2478 -15.1210 -15.1210 -14.9531 -14.9531 -14.9191 -14.9191 -14.7845 -14.7845 -14.7787 -14.7787 -2.3128 -2.3128 7.0523 7.0523 7.3296 7.3296 7.9104 7.9104 13.8922 13.8922 16.5535 16.5535 17.2178 17.2178 17.2487 17.2487 k = 0.5298-0.0172 0.5638 ( 2500 PWs) bands (ev): -44.8396 -44.8396 -43.0025 -43.0025 -42.9958 -42.9958 -17.0237 -17.0237 -16.8742 -16.8742 -16.8233 -16.8233 -15.2474 -15.2474 -15.1219 -15.1219 -14.9502 -14.9502 -14.9216 -14.9216 -14.7836 -14.7836 -14.7790 -14.7790 -2.3118 -2.3118 7.0763 7.0763 7.3203 7.3203 7.8862 7.8862 13.9101 13.9101 16.6098 16.6098 17.1611 17.1611 17.2180 17.2180 k = 0.5238-0.0137 0.5735 ( 2502 PWs) bands (ev): -44.8395 -44.8395 -43.0019 -43.0019 -42.9965 -42.9965 -17.0238 -17.0238 -16.8738 -16.8738 -16.8239 -16.8239 -15.2472 -15.2472 -15.1227 -15.1227 -14.9474 -14.9474 -14.9243 -14.9243 -14.7828 -14.7828 -14.7793 -14.7793 -2.3110 -2.3110 7.1016 7.1016 7.3071 7.3071 7.8660 7.8660 13.9253 13.9253 16.6675 16.6675 17.1105 17.1105 17.1861 17.1861 k = 0.5179-0.0103 0.5832 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0012 -43.0012 -42.9971 -42.9971 -17.0239 -17.0239 -16.8733 -16.8733 -16.8244 -16.8244 -15.2469 -15.2469 -15.1233 -15.1233 -14.9446 -14.9446 -14.9270 -14.9270 -14.7821 -14.7821 -14.7796 -14.7796 -2.3103 -2.3103 7.1281 7.1281 7.2899 7.2899 7.8501 7.8501 13.9373 13.9373 16.7243 16.7243 17.0678 17.0678 17.1531 17.1531 k = 0.5119-0.0069 0.5929 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0006 -43.0006 -42.9978 -42.9978 -17.0239 -17.0239 -16.8730 -16.8730 -16.8248 -16.8248 -15.2468 -15.2468 -15.1237 -15.1237 -14.9418 -14.9418 -14.9298 -14.9298 -14.7816 -14.7816 -14.7799 -14.7799 -2.3098 -2.3098 7.1558 7.1558 7.2685 7.2685 7.8389 7.8389 13.9461 13.9461 16.7759 16.7759 17.0371 17.0371 17.1190 17.1190 k = 0.5060-0.0034 0.6027 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9999 -42.9999 -42.9985 -42.9985 -17.0239 -17.0239 -16.8727 -16.8727 -16.8249 -16.8249 -15.2466 -15.2466 -15.1239 -15.1239 -14.9391 -14.9391 -14.9324 -14.9324 -14.7812 -14.7812 -14.7801 -14.7801 -2.3094 -2.3094 7.1846 7.1846 7.2432 7.2432 7.8325 7.8325 13.9514 13.9514 16.8131 16.8131 17.0274 17.0274 17.0840 17.0840 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9992 -42.9992 -17.0239 -17.0239 -16.8727 -16.8727 -16.8250 -16.8250 -15.2466 -15.2466 -15.1240 -15.1240 -14.9374 -14.9374 -14.9341 -14.9341 -14.7810 -14.7810 -14.7802 -14.7802 -2.3093 -2.3093 7.2128 7.2128 7.2161 7.2161 7.8304 7.8304 13.9531 13.9531 16.8255 16.8255 17.0474 17.0474 17.0490 17.0490 k = 0.5000 0.0000 0.6124 ( 2488 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9992 -42.9992 -17.0239 -17.0239 -16.8727 -16.8727 -16.8250 -16.8250 -15.2466 -15.2466 -15.1240 -15.1240 -14.9374 -14.9374 -14.9341 -14.9341 -14.7810 -14.7810 -14.7802 -14.7802 -2.3093 -2.3093 7.2128 7.2128 7.2161 7.2161 7.8304 7.8304 13.9531 13.9531 16.8255 16.8255 17.0474 17.0474 17.0490 17.0490 k = 0.5000 0.0070 0.6024 ( 2490 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9992 -42.9992 -17.0239 -17.0239 -16.8727 -16.8727 -16.8250 -16.8250 -15.2464 -15.2464 -15.1240 -15.1240 -14.9375 -14.9375 -14.9340 -14.9340 -14.7813 -14.7813 -14.7802 -14.7802 -2.3095 -2.3095 7.2100 7.2100 7.2164 7.2164 7.8337 7.8337 13.9552 13.9552 16.7985 16.7985 17.0487 17.0487 17.0741 17.0741 k = 0.5000 0.0141 0.5925 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -42.9992 -42.9992 -42.9991 -42.9991 -17.0238 -17.0238 -16.8726 -16.8726 -16.8252 -16.8252 -15.2459 -15.2459 -15.1240 -15.1240 -14.9378 -14.9378 -14.9340 -14.9340 -14.7819 -14.7819 -14.7801 -14.7801 -2.3102 -2.3102 7.1986 7.1986 7.2204 7.2204 7.8434 7.8434 13.9612 13.9612 16.7377 16.7377 17.0505 17.0505 17.1309 17.1309 k = 0.5000 0.0211 0.5825 ( 2500 PWs) bands (ev): -44.8396 -44.8396 -42.9992 -42.9992 -42.9991 -42.9991 -17.0236 -17.0236 -16.8724 -16.8724 -16.8252 -16.8252 -15.2450 -15.2450 -15.1239 -15.1239 -14.9382 -14.9382 -14.9339 -14.9339 -14.7827 -14.7827 -14.7802 -14.7802 -2.3113 -2.3113 7.1799 7.1799 7.2277 7.2277 7.8586 7.8586 13.9713 13.9713 16.6642 16.6642 17.0534 17.0534 17.1978 17.1978 k = 0.5000 0.0282 0.5725 ( 2498 PWs) bands (ev): -44.8396 -44.8396 -42.9992 -42.9992 -42.9990 -42.9990 -17.0233 -17.0233 -16.8722 -16.8722 -16.8253 -16.8253 -15.2436 -15.2436 -15.1237 -15.1237 -14.9388 -14.9388 -14.9337 -14.9337 -14.7838 -14.7838 -14.7804 -14.7804 -2.3128 -2.3128 7.1553 7.1553 7.2379 7.2379 7.8784 7.8784 13.9854 13.9854 16.5854 16.5854 17.0574 17.0574 17.2669 17.2669 k = 0.5000 0.0352 0.5626 ( 2498 PWs) bands (ev): -44.8397 -44.8397 -42.9992 -42.9992 -42.9990 -42.9990 -17.0229 -17.0229 -16.8718 -16.8718 -16.8255 -16.8255 -15.2419 -15.2419 -15.1235 -15.1235 -14.9396 -14.9396 -14.9334 -14.9334 -14.7851 -14.7851 -14.7807 -14.7807 -2.3147 -2.3147 7.1258 7.1258 7.2511 7.2511 7.9018 7.9018 14.0035 14.0035 16.5039 16.5039 17.0625 17.0625 17.3353 17.3353 k = 0.5000 0.0422 0.5526 ( 2504 PWs) bands (ev): -44.8398 -44.8398 -42.9992 -42.9992 -42.9989 -42.9989 -17.0225 -17.0225 -16.8714 -16.8714 -16.8257 -16.8257 -15.2398 -15.2398 -15.1233 -15.1233 -14.9405 -14.9405 -14.9332 -14.9332 -14.7867 -14.7867 -14.7813 -14.7813 -2.3170 -2.3170 7.0925 7.0925 7.2670 7.2670 7.9276 7.9276 14.0256 14.0256 16.4207 16.4207 17.0686 17.0686 17.4016 17.4016 k = 0.5000 0.0493 0.5427 ( 2506 PWs) bands (ev): -44.8399 -44.8399 -42.9993 -42.9993 -42.9988 -42.9988 -17.0220 -17.0220 -16.8709 -16.8709 -16.8259 -16.8259 -15.2374 -15.2374 -15.1230 -15.1230 -14.9416 -14.9416 -14.9329 -14.9329 -14.7885 -14.7885 -14.7819 -14.7819 -2.3198 -2.3198 7.0562 7.0562 7.2857 7.2857 7.9551 7.9551 14.0516 14.0516 16.3364 16.3364 17.0756 17.0756 17.4646 17.4646 k = 0.5000 0.0563 0.5327 ( 2510 PWs) bands (ev): -44.8400 -44.8400 -42.9993 -42.9993 -42.9986 -42.9986 -17.0214 -17.0214 -16.8703 -16.8703 -16.8261 -16.8261 -15.2347 -15.2347 -15.1227 -15.1227 -14.9428 -14.9428 -14.9326 -14.9326 -14.7905 -14.7905 -14.7826 -14.7826 -2.3229 -2.3229 7.0178 7.0178 7.3072 7.3072 7.9836 7.9836 14.0816 14.0816 16.2514 16.2514 17.0834 17.0834 17.5232 17.5232 k = 0.5000 0.0634 0.5228 ( 2506 PWs) bands (ev): -44.8402 -44.8402 -42.9993 -42.9993 -42.9985 -42.9985 -17.0207 -17.0207 -16.8697 -16.8697 -16.8263 -16.8263 -15.2315 -15.2315 -15.1223 -15.1223 -14.9440 -14.9440 -14.9323 -14.9323 -14.7927 -14.7927 -14.7834 -14.7834 -2.3263 -2.3263 6.9777 6.9777 7.3313 7.3313 8.0125 8.0125 14.1154 14.1154 16.1657 16.1657 17.0919 17.0919 17.5766 17.5766 k = 0.5000 0.0704 0.5128 ( 2506 PWs) bands (ev): -44.8403 -44.8403 -42.9993 -42.9993 -42.9983 -42.9983 -17.0200 -17.0200 -16.8689 -16.8689 -16.8266 -16.8266 -15.2281 -15.2281 -15.1218 -15.1218 -14.9454 -14.9454 -14.9319 -14.9319 -14.7952 -14.7952 -14.7844 -14.7844 -2.3301 -2.3301 6.9365 6.9365 7.3579 7.3579 8.0414 8.0414 14.1530 14.1530 16.0796 16.0796 17.1009 17.1009 17.6237 17.6237 k = 0.5000 0.0774 0.5028 ( 2506 PWs) bands (ev): -44.8405 -44.8405 -42.9993 -42.9993 -42.9981 -42.9981 -17.0192 -17.0192 -16.8681 -16.8681 -16.8268 -16.8268 -15.2243 -15.2243 -15.1212 -15.1212 -14.9469 -14.9469 -14.9315 -14.9315 -14.7979 -14.7979 -14.7855 -14.7855 -2.3341 -2.3341 6.8945 6.8945 7.3870 7.3870 8.0700 8.0700 14.1944 14.1944 15.9931 15.9931 17.1105 17.1105 17.6636 17.6636 k = 0.5000 0.0845 0.4929 ( 2502 PWs) bands (ev): -44.8406 -44.8406 -42.9994 -42.9994 -42.9979 -42.9979 -17.0184 -17.0184 -16.8672 -16.8672 -16.8271 -16.8271 -15.2203 -15.2203 -15.1205 -15.1205 -14.9484 -14.9484 -14.9311 -14.9311 -14.8007 -14.8007 -14.7867 -14.7867 -2.3385 -2.3385 6.8522 6.8522 7.4185 7.4185 8.0980 8.0980 14.2395 14.2395 15.9063 15.9063 17.1203 17.1203 17.6954 17.6954 k = 0.5000 0.0915 0.4829 ( 2502 PWs) bands (ev): -44.8408 -44.8408 -42.9994 -42.9994 -42.9977 -42.9977 -17.0175 -17.0175 -16.8662 -16.8662 -16.8274 -16.8274 -15.2160 -15.2160 -15.1198 -15.1198 -14.9500 -14.9500 -14.9308 -14.9308 -14.8038 -14.8038 -14.7881 -14.7881 -2.3431 -2.3431 6.8097 6.8097 7.4523 7.4523 8.1252 8.1252 14.2882 14.2882 15.8192 15.8192 17.1303 17.1303 17.7182 17.7182 k = 0.5000 0.0986 0.4730 ( 2496 PWs) bands (ev): -44.8410 -44.8410 -42.9994 -42.9994 -42.9975 -42.9975 -17.0166 -17.0166 -16.8651 -16.8651 -16.8276 -16.8276 -15.2115 -15.2115 -15.1189 -15.1189 -14.9516 -14.9516 -14.9304 -14.9304 -14.8070 -14.8070 -14.7896 -14.7896 -2.3479 -2.3479 6.7673 6.7673 7.4881 7.4881 8.1515 8.1515 14.3404 14.3404 15.7320 15.7320 17.1403 17.1403 17.7315 17.7315 k = 0.5000 0.1056 0.4630 ( 2504 PWs) bands (ev): -44.8412 -44.8412 -42.9995 -42.9995 -42.9973 -42.9973 -17.0158 -17.0158 -16.8641 -16.8641 -16.8280 -16.8280 -15.2069 -15.2069 -15.1180 -15.1180 -14.9533 -14.9533 -14.9301 -14.9301 -14.8105 -14.8105 -14.7912 -14.7912 -2.3529 -2.3529 6.7252 6.7252 7.5260 7.5260 8.1767 8.1767 14.3960 14.3960 15.6447 15.6447 17.1502 17.1502 17.7352 17.7352 k = 0.5000 0.1127 0.4531 ( 2500 PWs) bands (ev): -44.8414 -44.8414 -42.9995 -42.9995 -42.9971 -42.9971 -17.0149 -17.0149 -16.8629 -16.8629 -16.8283 -16.8283 -15.2020 -15.2020 -15.1170 -15.1170 -14.9549 -14.9549 -14.9298 -14.9298 -14.8141 -14.8141 -14.7930 -14.7930 -2.3581 -2.3581 6.6836 6.6836 7.5657 7.5657 8.2008 8.2008 14.4548 14.4548 15.5574 15.5574 17.1597 17.1597 17.7295 17.7295 k = 0.5000 0.1197 0.4431 ( 2500 PWs) bands (ev): -44.8416 -44.8416 -42.9995 -42.9995 -42.9969 -42.9969 -17.0140 -17.0140 -16.8617 -16.8617 -16.8286 -16.8286 -15.1971 -15.1971 -15.1158 -15.1158 -14.9565 -14.9565 -14.9295 -14.9295 -14.8178 -14.8178 -14.7948 -14.7948 -2.3634 -2.3634 6.6427 6.6427 7.6070 7.6070 8.2236 8.2236 14.5167 14.5167 15.4701 15.4701 17.1687 17.1687 17.7148 17.7148 k = 0.5000 0.1267 0.4331 ( 2504 PWs) bands (ev): -44.8418 -44.8418 -42.9995 -42.9995 -42.9966 -42.9966 -17.0132 -17.0132 -16.8605 -16.8605 -16.8290 -16.8290 -15.1921 -15.1921 -15.1145 -15.1145 -14.9580 -14.9580 -14.9293 -14.9293 -14.8217 -14.8217 -14.7969 -14.7969 -2.3688 -2.3688 6.6025 6.6025 7.6498 7.6498 8.2452 8.2452 14.5817 14.5817 15.3831 15.3831 17.1770 17.1770 17.6920 17.6920 k = 0.5000 0.1338 0.4232 ( 2506 PWs) bands (ev): -44.8421 -44.8421 -42.9996 -42.9996 -42.9964 -42.9964 -17.0123 -17.0123 -16.8592 -16.8592 -16.8294 -16.8294 -15.1870 -15.1870 -15.1130 -15.1130 -14.9595 -14.9595 -14.9292 -14.9292 -14.8256 -14.8256 -14.7990 -14.7990 -2.3743 -2.3743 6.5633 6.5633 7.6940 7.6940 8.2656 8.2656 14.6494 14.6494 15.2964 15.2964 17.1844 17.1844 17.6624 17.6624 k = 0.5000 0.1408 0.4132 ( 2506 PWs) bands (ev): -44.8423 -44.8423 -42.9996 -42.9996 -42.9961 -42.9961 -17.0114 -17.0114 -16.8578 -16.8578 -16.8297 -16.8297 -15.1820 -15.1820 -15.1113 -15.1113 -14.9608 -14.9608 -14.9292 -14.9292 -14.8297 -14.8297 -14.8013 -14.8013 -2.3798 -2.3798 6.5251 6.5251 7.7392 7.7392 8.2847 8.2847 14.7197 14.7197 15.2102 15.2102 17.1908 17.1908 17.6271 17.6271 k = 0.5000 0.1479 0.4033 ( 2506 PWs) bands (ev): -44.8425 -44.8425 -42.9996 -42.9996 -42.9959 -42.9959 -17.0106 -17.0106 -16.8565 -16.8565 -16.8300 -16.8300 -15.1770 -15.1770 -15.1094 -15.1094 -14.9620 -14.9620 -14.9293 -14.9293 -14.8338 -14.8338 -14.8037 -14.8037 -2.3853 -2.3853 6.4881 6.4881 7.7854 7.7854 8.3025 8.3025 14.7924 14.7924 15.1246 15.1246 17.1960 17.1960 17.5874 17.5874 k = 0.5000 0.1549 0.3933 ( 2506 PWs) bands (ev): -44.8427 -44.8427 -42.9997 -42.9997 -42.9957 -42.9957 -17.0098 -17.0098 -16.8551 -16.8551 -16.8303 -16.8303 -15.1721 -15.1721 -15.1072 -15.1072 -14.9632 -14.9632 -14.9295 -14.9295 -14.8379 -14.8379 -14.8062 -14.8062 -2.3908 -2.3908 6.4524 6.4524 7.8322 7.8322 8.3191 8.3191 14.8673 14.8673 15.0399 15.0399 17.1997 17.1997 17.5445 17.5445 k = 0.5000 0.1619 0.3834 ( 2500 PWs) bands (ev): -44.8429 -44.8429 -42.9997 -42.9997 -42.9954 -42.9954 -17.0090 -17.0090 -16.8537 -16.8537 -16.8305 -16.8305 -15.1673 -15.1673 -15.1047 -15.1047 -14.9641 -14.9641 -14.9298 -14.9298 -14.8420 -14.8420 -14.8087 -14.8087 -2.3962 -2.3962 6.4179 6.4179 7.8794 7.8794 8.3344 8.3344 14.9436 14.9436 14.9569 14.9569 17.2019 17.2019 17.4997 17.4997 k = 0.5000 0.1690 0.3734 ( 2498 PWs) bands (ev): -44.8431 -44.8431 -42.9997 -42.9997 -42.9952 -42.9952 -17.0082 -17.0082 -16.8523 -16.8523 -16.8308 -16.8308 -15.1628 -15.1628 -15.1019 -15.1019 -14.9649 -14.9649 -14.9303 -14.9303 -14.8461 -14.8461 -14.8114 -14.8114 -2.4015 -2.4015 6.3849 6.3849 7.9267 7.9267 8.3486 8.3486 14.8742 14.8742 15.0226 15.0226 17.2024 17.2024 17.4538 17.4538 k = 0.5000 0.1760 0.3634 ( 2494 PWs) bands (ev): -44.8433 -44.8433 -42.9998 -42.9998 -42.9949 -42.9949 -17.0075 -17.0075 -16.8509 -16.8509 -16.8310 -16.8310 -15.1586 -15.1586 -15.0989 -15.0989 -14.9655 -14.9655 -14.9310 -14.9310 -14.8502 -14.8502 -14.8140 -14.8140 -2.4067 -2.4067 6.3535 6.3535 7.9740 7.9740 8.3616 8.3616 14.7938 14.7938 15.1023 15.1023 17.2009 17.2009 17.4078 17.4078 k = 0.5000 0.1831 0.3535 ( 2494 PWs) bands (ev): -44.8435 -44.8435 -42.9998 -42.9998 -42.9947 -42.9947 -17.0068 -17.0068 -16.8496 -16.8496 -16.8312 -16.8312 -15.1548 -15.1548 -15.0955 -15.0955 -14.9659 -14.9659 -14.9318 -14.9318 -14.8542 -14.8542 -14.8168 -14.8168 -2.4117 -2.4117 6.3235 6.3235 8.0207 8.0207 8.3736 8.3736 14.7153 14.7153 15.1830 15.1830 17.1974 17.1974 17.3624 17.3624 k = 0.5000 0.1901 0.3435 ( 2494 PWs) bands (ev): -44.8437 -44.8437 -42.9998 -42.9998 -42.9945 -42.9945 -17.0061 -17.0061 -16.8483 -16.8483 -16.8313 -16.8313 -15.1513 -15.1513 -15.0918 -15.0918 -14.9661 -14.9661 -14.9329 -14.9329 -14.8582 -14.8582 -14.8196 -14.8196 -2.4166 -2.4166 6.2953 6.2953 8.0667 8.0667 8.3845 8.3845 14.6393 14.6393 15.2643 15.2643 17.1916 17.1916 17.3182 17.3182 k = 0.5000 0.1971 0.3336 ( 2498 PWs) bands (ev): -44.8439 -44.8439 -42.9999 -42.9999 -42.9943 -42.9943 -17.0056 -17.0056 -16.8471 -16.8471 -16.8315 -16.8315 -15.1482 -15.1482 -15.0879 -15.0879 -14.9661 -14.9661 -14.9342 -14.9342 -14.8621 -14.8621 -14.8224 -14.8224 -2.4212 -2.4212 6.2687 6.2687 8.1117 8.1117 8.3943 8.3943 14.5660 14.5660 15.3457 15.3457 17.1835 17.1835 17.2758 17.2758 k = 0.5000 0.2042 0.3236 ( 2498 PWs) bands (ev): -44.8441 -44.8441 -42.9999 -42.9999 -42.9941 -42.9941 -17.0050 -17.0050 -16.8460 -16.8460 -16.8316 -16.8316 -15.1454 -15.1454 -15.0837 -15.0837 -14.9660 -14.9660 -14.9356 -14.9356 -14.8658 -14.8658 -14.8251 -14.8251 -2.4257 -2.4257 6.2438 6.2438 8.1552 8.1552 8.4032 8.4032 14.4958 14.4958 15.4270 15.4270 17.1730 17.1730 17.2357 17.2357 k = 0.5000 0.2112 0.3137 ( 2496 PWs) bands (ev): -44.8443 -44.8443 -42.9999 -42.9999 -42.9939 -42.9939 -17.0045 -17.0045 -16.8450 -16.8450 -16.8316 -16.8316 -15.1430 -15.1430 -15.0793 -15.0793 -14.9656 -14.9656 -14.9373 -14.9373 -14.8694 -14.8694 -14.8278 -14.8278 -2.4298 -2.4298 6.2208 6.2208 8.1971 8.1971 8.4112 8.4112 14.4292 14.4292 15.5074 15.5074 17.1595 17.1595 17.1985 17.1985 k = 0.5000 0.2183 0.3037 ( 2500 PWs) bands (ev): -44.8445 -44.8445 -42.9999 -42.9999 -42.9937 -42.9937 -17.0040 -17.0040 -16.8440 -16.8440 -16.8315 -16.8315 -15.1409 -15.1409 -15.0749 -15.0749 -14.9651 -14.9651 -14.9391 -14.9391 -14.8728 -14.8728 -14.8303 -14.8303 -2.4337 -2.4337 6.1997 6.1997 8.2368 8.2368 8.4184 8.4184 14.3665 14.3665 15.5864 15.5864 17.1423 17.1423 17.1657 17.1657 k = 0.5000 0.2253 0.2937 ( 2504 PWs) bands (ev): -44.8446 -44.8446 -43.0000 -43.0000 -42.9936 -42.9936 -17.0037 -17.0037 -16.8432 -16.8432 -16.8315 -16.8315 -15.1392 -15.1392 -15.0705 -15.0705 -14.9644 -14.9644 -14.9411 -14.9411 -14.8761 -14.8761 -14.8328 -14.8328 -2.4372 -2.4372 6.1804 6.1804 8.2741 8.2741 8.4247 8.4247 14.3082 14.3082 15.6634 15.6634 17.1195 17.1195 17.1392 17.1392 k = 0.5000 0.2323 0.2838 ( 2504 PWs) bands (ev): -44.8447 -44.8447 -43.0000 -43.0000 -42.9934 -42.9934 -17.0033 -17.0033 -16.8425 -16.8425 -16.8314 -16.8314 -15.1376 -15.1376 -15.0661 -15.0661 -14.9637 -14.9637 -14.9430 -14.9430 -14.8792 -14.8792 -14.8350 -14.8350 -2.4405 -2.4405 6.1630 6.1630 8.3085 8.3085 8.4302 8.4302 14.2547 14.2547 15.7376 15.7376 17.0934 17.0934 17.1173 17.1173 k = 0.5000 0.2394 0.2738 ( 2504 PWs) bands (ev): -44.8449 -44.8449 -43.0000 -43.0000 -42.9933 -42.9933 -17.0029 -17.0029 -16.8420 -16.8420 -16.8312 -16.8312 -15.1364 -15.1364 -15.0618 -15.0618 -14.9629 -14.9629 -14.9449 -14.9449 -14.8820 -14.8820 -14.8371 -14.8371 -2.4434 -2.4434 6.1476 6.1476 8.3399 8.3399 8.4351 8.4351 14.2063 14.2063 15.8081 15.8081 17.0681 17.0681 17.0963 17.0963 k = 0.5000 0.2464 0.2639 ( 2504 PWs) bands (ev): -44.8450 -44.8450 -43.0000 -43.0000 -42.9932 -42.9932 -17.0027 -17.0027 -16.8415 -16.8415 -16.8310 -16.8310 -15.1353 -15.1353 -15.0578 -15.0578 -14.9622 -14.9622 -14.9467 -14.9467 -14.8847 -14.8847 -14.8389 -14.8389 -2.4459 -2.4459 6.1343 6.1343 8.3677 8.3677 8.4393 8.4393 14.1635 14.1635 15.8738 15.8738 17.0453 17.0453 17.0754 17.0754 k = 0.5000 0.2535 0.2539 ( 2502 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9931 -42.9931 -17.0024 -17.0024 -16.8411 -16.8411 -16.8308 -16.8308 -15.1344 -15.1344 -15.0541 -15.0541 -14.9617 -14.9617 -14.9481 -14.9481 -14.8870 -14.8870 -14.8405 -14.8405 -2.4481 -2.4481 6.1229 6.1229 8.3918 8.3918 8.4429 8.4429 14.1267 14.1267 15.9335 15.9335 17.0253 17.0253 17.0549 17.0549 k = 0.5000 0.2605 0.2440 ( 2500 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9930 -42.9930 -17.0022 -17.0022 -16.8408 -16.8408 -16.8305 -16.8305 -15.1337 -15.1337 -15.0509 -15.0509 -14.9615 -14.9615 -14.9492 -14.9492 -14.8891 -14.8891 -14.8417 -14.8417 -2.4499 -2.4499 6.1136 6.1136 8.4116 8.4116 8.4460 8.4460 14.0960 14.0960 15.9857 15.9857 17.0083 17.0083 17.0359 17.0359 k = 0.5000 0.2676 0.2340 ( 2500 PWs) bands (ev): -44.8452 -44.8452 -43.0000 -43.0000 -42.9929 -42.9929 -17.0021 -17.0021 -16.8406 -16.8406 -16.8304 -16.8304 -15.1332 -15.1332 -15.0483 -15.0483 -14.9616 -14.9616 -14.9498 -14.9498 -14.8908 -14.8908 -14.8428 -14.8428 -2.4513 -2.4513 6.1063 6.1063 8.4269 8.4269 8.4488 8.4488 14.0719 14.0719 16.0289 16.0289 16.9942 16.9942 17.0198 17.0198 k = 0.5000 0.2746 0.2240 ( 2500 PWs) bands (ev): -44.8452 -44.8452 -43.0001 -43.0001 -42.9929 -42.9929 -17.0019 -17.0019 -16.8405 -16.8405 -16.8302 -16.8302 -15.1328 -15.1328 -15.0463 -15.0463 -14.9619 -14.9619 -14.9500 -14.9500 -14.8920 -14.8920 -14.8435 -14.8435 -2.4523 -2.4523 6.1011 6.1011 8.4370 8.4370 8.4517 8.4517 14.0545 14.0545 16.0614 16.0614 16.9833 16.9833 17.0077 17.0077 k = 0.5000 0.2816 0.2141 ( 2500 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0019 -17.0019 -16.8404 -16.8404 -16.8301 -16.8301 -15.1326 -15.1326 -15.0451 -15.0451 -14.9621 -14.9621 -14.9501 -14.9501 -14.8928 -14.8928 -14.8439 -14.8439 -2.4529 -2.4529 6.0980 6.0980 8.4421 8.4421 8.4545 8.4545 14.0440 14.0440 16.0817 16.0817 16.9761 16.9761 17.0003 17.0003 k = 0.5000 0.2887 0.2041 ( 2512 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1326 -15.1326 -15.0448 -15.0448 -14.9623 -14.9623 -14.9502 -14.9502 -14.8931 -14.8931 -14.8441 -14.8441 -2.4531 -2.4531 6.0969 6.0969 8.4435 8.4435 8.4557 8.4557 14.0405 14.0405 16.0886 16.0886 16.9736 16.9736 16.9979 16.9979 k = 0.5000 0.2887 0.2041 ( 2512 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1326 -15.1326 -15.0448 -15.0448 -14.9623 -14.9623 -14.9502 -14.9502 -14.8931 -14.8931 -14.8441 -14.8441 -2.4531 -2.4531 6.0969 6.0969 8.4435 8.4435 8.4557 8.4557 14.0405 14.0405 16.0886 16.0886 16.9736 16.9736 16.9979 16.9979 k = 0.4965 0.2867 0.2155 ( 2502 PWs) bands (ev): -44.8453 -44.8453 -43.0001 -43.0001 -42.9929 -42.9929 -17.0019 -17.0019 -16.8404 -16.8404 -16.8302 -16.8302 -15.1326 -15.1326 -15.0451 -15.0451 -14.9622 -14.9622 -14.9501 -14.9501 -14.8928 -14.8928 -14.8440 -14.8440 -2.4529 -2.4529 6.0979 6.0979 8.4421 8.4421 8.4545 8.4545 14.0439 14.0439 16.0819 16.0819 16.9761 16.9761 17.0002 17.0002 k = 0.4931 0.2847 0.2268 ( 2502 PWs) bands (ev): -44.8452 -44.8452 -43.0001 -43.0001 -42.9929 -42.9929 -17.0020 -17.0020 -16.8405 -16.8405 -16.8302 -16.8302 -15.1329 -15.1329 -15.0463 -15.0463 -14.9619 -14.9619 -14.9500 -14.9500 -14.8921 -14.8921 -14.8435 -14.8435 -2.4523 -2.4523 6.1010 6.1010 8.4372 8.4372 8.4518 8.4518 14.0541 14.0541 16.0621 16.0621 16.9830 16.9830 17.0074 17.0074 k = 0.4896 0.2827 0.2381 ( 2502 PWs) bands (ev): -44.8452 -44.8452 -43.0000 -43.0000 -42.9929 -42.9929 -17.0021 -17.0021 -16.8406 -16.8406 -16.8304 -16.8304 -15.1332 -15.1332 -15.0482 -15.0482 -14.9617 -14.9617 -14.9498 -14.9498 -14.8908 -14.8908 -14.8428 -14.8428 -2.4514 -2.4514 6.1060 6.1060 8.4274 8.4274 8.4489 8.4489 14.0710 14.0710 16.0305 16.0305 16.9937 16.9937 17.0192 17.0192 k = 0.4861 0.2807 0.2495 ( 2500 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9930 -42.9930 -17.0022 -17.0022 -16.8408 -16.8408 -16.8305 -16.8305 -15.1337 -15.1337 -15.0508 -15.0508 -14.9615 -14.9615 -14.9492 -14.9492 -14.8892 -14.8892 -14.8418 -14.8418 -2.4500 -2.4500 6.1131 6.1131 8.4125 8.4125 8.4462 8.4462 14.0945 14.0945 15.9884 15.9884 17.0074 17.0074 17.0350 17.0350 k = 0.4826 0.2787 0.2608 ( 2503 PWs) bands (ev): -44.8451 -44.8451 -43.0000 -43.0000 -42.9931 -42.9931 -17.0024 -17.0024 -16.8411 -16.8411 -16.8307 -16.8307 -15.1344 -15.1344 -15.0539 -15.0539 -14.9618 -14.9618 -14.9482 -14.9482 -14.8872 -14.8872 -14.8406 -14.8406 -2.4482 -2.4482 6.1222 6.1222 8.3930 8.3930 8.4433 8.4433 14.1243 14.1243 15.9374 15.9374 17.0240 17.0240 17.0536 17.0536 k = 0.4792 0.2766 0.2722 ( 2499 PWs) bands (ev): -44.8450 -44.8450 -43.0000 -43.0000 -42.9932 -42.9932 -17.0026 -17.0026 -16.8415 -16.8415 -16.8309 -16.8309 -15.1352 -15.1352 -15.0574 -15.0574 -14.9623 -14.9623 -14.9466 -14.9466 -14.8849 -14.8849 -14.8390 -14.8390 -2.4461 -2.4461 6.1333 6.1333 8.3694 8.3694 8.4400 8.4400 14.1602 14.1602 15.8791 15.8791 17.0433 17.0433 17.0739 17.0739 k = 0.4757 0.2746 0.2835 ( 2502 PWs) bands (ev): -44.8449 -44.8449 -43.0000 -43.0000 -42.9933 -42.9933 -17.0029 -17.0029 -16.8419 -16.8419 -16.8311 -16.8311 -15.1363 -15.1363 -15.0614 -15.0614 -14.9631 -14.9631 -14.9448 -14.9448 -14.8823 -14.8823 -14.8372 -14.8372 -2.4436 -2.4436 6.1463 6.1463 8.3419 8.3419 8.4363 8.4363 14.2017 14.2017 15.8149 15.8149 17.0655 17.0655 17.0947 17.0947 k = 0.4722 0.2726 0.2948 ( 2500 PWs) bands (ev): -44.8447 -44.8447 -43.0000 -43.0000 -42.9934 -42.9934 -17.0032 -17.0032 -16.8425 -16.8425 -16.8313 -16.8313 -15.1375 -15.1375 -15.0654 -15.0654 -14.9640 -14.9640 -14.9427 -14.9427 -14.8796 -14.8796 -14.8352 -14.8352 -2.4408 -2.4408 6.1613 6.1613 8.3109 8.3109 8.4322 8.4322 14.2485 14.2485 15.7462 15.7462 17.0901 17.0901 17.1155 17.1155 k = 0.4688 0.2706 0.3062 ( 2504 PWs) bands (ev): -44.8446 -44.8446 -43.0000 -43.0000 -42.9936 -42.9936 -17.0036 -17.0036 -16.8432 -16.8432 -16.8314 -16.8314 -15.1390 -15.1390 -15.0697 -15.0697 -14.9651 -14.9651 -14.9405 -14.9405 -14.8767 -14.8767 -14.8330 -14.8330 -2.4377 -2.4377 6.1781 6.1781 8.2765 8.2765 8.4276 8.4276 14.3001 14.3001 15.6741 15.6741 17.1162 17.1162 17.1367 17.1367 k = 0.4653 0.2686 0.3175 ( 2497 PWs) bands (ev): -44.8445 -44.8445 -42.9999 -42.9999 -42.9937 -42.9937 -17.0039 -17.0039 -16.8440 -16.8440 -16.8314 -16.8314 -15.1408 -15.1408 -15.0739 -15.0739 -14.9661 -14.9661 -14.9382 -14.9382 -14.8736 -14.8736 -14.8306 -14.8306 -2.4342 -2.4342 6.1969 6.1969 8.2391 8.2391 8.4226 8.4226 14.3558 14.3558 15.5997 15.5997 17.1405 17.1405 17.1610 17.1610 k = 0.4618 0.2666 0.3289 ( 2501 PWs) bands (ev): -44.8443 -44.8443 -42.9999 -42.9999 -42.9939 -42.9939 -17.0044 -17.0044 -16.8450 -16.8450 -16.8314 -16.8314 -15.1430 -15.1430 -15.0781 -15.0781 -14.9670 -14.9670 -14.9360 -14.9360 -14.8704 -14.8704 -14.8280 -14.8280 -2.4304 -2.4304 6.2175 6.2175 8.1989 8.1989 8.4172 8.4172 14.4149 14.4149 15.5241 15.5241 17.1596 17.1596 17.1916 17.1916 k = 0.4583 0.2646 0.3402 ( 2499 PWs) bands (ev): -44.8442 -44.8442 -42.9999 -42.9999 -42.9940 -42.9940 -17.0049 -17.0049 -16.8461 -16.8461 -16.8313 -16.8313 -15.1454 -15.1454 -15.0821 -15.0821 -14.9679 -14.9679 -14.9339 -14.9339 -14.8671 -14.8671 -14.8254 -14.8254 -2.4264 -2.4264 6.2399 6.2399 8.1563 8.1563 8.4114 8.4114 14.4763 14.4763 15.4486 15.4486 17.1747 17.1747 17.2270 17.2270 k = 0.4549 0.2626 0.3515 ( 2499 PWs) bands (ev): -44.8440 -44.8440 -42.9999 -42.9999 -42.9942 -42.9942 -17.0054 -17.0054 -16.8473 -16.8473 -16.8311 -16.8311 -15.1483 -15.1483 -15.0859 -15.0859 -14.9688 -14.9688 -14.9318 -14.9318 -14.8637 -14.8637 -14.8226 -14.8226 -2.4221 -2.4221 6.2641 6.2641 8.1116 8.1116 8.4052 8.4052 14.5385 14.5385 15.3748 15.3748 17.1873 17.1873 17.2657 17.2657 k = 0.4514 0.2606 0.3629 ( 2497 PWs) bands (ev): -44.8438 -44.8438 -42.9999 -42.9999 -42.9944 -42.9944 -17.0060 -17.0060 -16.8486 -16.8486 -16.8309 -16.8309 -15.1516 -15.1516 -15.0894 -15.0894 -14.9695 -14.9695 -14.9298 -14.9298 -14.8602 -14.8602 -14.8197 -14.8197 -2.4175 -2.4175 6.2900 6.2900 8.0651 8.0651 8.3987 8.3987 14.5991 14.5991 15.3051 15.3051 17.1977 17.1977 17.3070 17.3070 k = 0.4479 0.2586 0.3742 ( 2503 PWs) bands (ev): -44.8436 -44.8436 -42.9999 -42.9999 -42.9946 -42.9946 -17.0066 -17.0066 -16.8500 -16.8500 -16.8306 -16.8306 -15.1554 -15.1554 -15.0925 -15.0925 -14.9702 -14.9702 -14.9279 -14.9279 -14.8567 -14.8567 -14.8169 -14.8169 -2.4128 -2.4128 6.3175 6.3175 8.0170 8.0170 8.3919 8.3919 14.6540 14.6540 15.2436 15.2436 17.2064 17.2064 17.3506 17.3506 k = 0.4444 0.2566 0.3856 ( 2505 PWs) bands (ev): -44.8434 -44.8434 -43.0000 -43.0000 -42.9947 -42.9947 -17.0073 -17.0073 -16.8515 -16.8515 -16.8303 -16.8303 -15.1596 -15.1596 -15.0952 -15.0952 -14.9708 -14.9708 -14.9261 -14.9261 -14.8532 -14.8532 -14.8140 -14.8140 -2.4079 -2.4079 6.3466 6.3466 7.9676 7.9676 8.3849 8.3849 14.6964 14.6964 15.1969 15.1969 17.2136 17.2136 17.3963 17.3963 k = 0.4410 0.2546 0.3969 ( 2505 PWs) bands (ev): -44.8432 -44.8432 -43.0000 -43.0000 -42.9949 -42.9949 -17.0080 -17.0080 -16.8531 -16.8531 -16.8298 -16.8298 -15.1641 -15.1641 -15.0975 -15.0975 -14.9713 -14.9713 -14.9244 -14.9244 -14.8496 -14.8496 -14.8111 -14.8111 -2.4028 -2.4028 6.3772 6.3772 7.9173 7.9173 8.3777 8.3777 14.7165 14.7165 15.1748 15.1748 17.2195 17.2195 17.4437 17.4437 k = 0.4375 0.2526 0.4082 ( 2502 PWs) bands (ev): -44.8430 -44.8430 -43.0001 -43.0001 -42.9950 -42.9950 -17.0087 -17.0087 -16.8547 -16.8547 -16.8293 -16.8293 -15.1689 -15.1689 -15.0995 -15.0995 -14.9717 -14.9717 -14.9228 -14.9228 -14.8460 -14.8460 -14.8082 -14.8082 -2.3977 -2.3977 6.4093 6.4093 7.8662 7.8662 8.3703 8.3703 14.7070 14.7070 15.1843 15.1843 17.2245 17.2245 17.4927 17.4927 k = 0.4340 0.2506 0.4196 ( 2503 PWs) bands (ev): -44.8428 -44.8428 -43.0002 -43.0002 -42.9951 -42.9951 -17.0094 -17.0094 -16.8564 -16.8564 -16.8287 -16.8287 -15.1740 -15.1740 -15.1011 -15.1011 -14.9720 -14.9720 -14.9213 -14.9213 -14.8424 -14.8424 -14.8054 -14.8054 -2.3924 -2.3924 6.4427 6.4427 7.8146 7.8146 8.3627 8.3627 14.6706 14.6706 15.2224 15.2224 17.2288 17.2288 17.5429 17.5429 k = 0.4306 0.2486 0.4309 ( 2505 PWs) bands (ev): -44.8426 -44.8426 -43.0003 -43.0003 -42.9952 -42.9952 -17.0102 -17.0102 -16.8581 -16.8581 -16.8281 -16.8281 -15.1793 -15.1793 -15.1024 -15.1024 -14.9723 -14.9723 -14.9198 -14.9198 -14.8389 -14.8389 -14.8026 -14.8026 -2.3871 -2.3871 6.4774 6.4774 7.7629 7.7629 8.3550 8.3550 14.6166 14.6166 15.2794 15.2794 17.2329 17.2329 17.5943 17.5943 k = 0.4271 0.2466 0.4423 ( 2505 PWs) bands (ev): -44.8423 -44.8423 -43.0005 -43.0005 -42.9952 -42.9952 -17.0110 -17.0110 -16.8599 -16.8599 -16.8274 -16.8274 -15.1848 -15.1848 -15.1035 -15.1035 -14.9726 -14.9726 -14.9184 -14.9184 -14.8354 -14.8354 -14.7999 -14.7999 -2.3817 -2.3817 6.5132 6.5132 7.7112 7.7112 8.3472 8.3472 14.5530 14.5530 15.3470 15.3470 17.2371 17.2371 17.6464 17.6464 k = 0.4236 0.2446 0.4536 ( 2505 PWs) bands (ev): -44.8421 -44.8421 -43.0007 -43.0007 -42.9951 -42.9951 -17.0118 -17.0118 -16.8616 -16.8616 -16.8267 -16.8267 -15.1904 -15.1904 -15.1043 -15.1043 -14.9729 -14.9729 -14.9170 -14.9170 -14.8320 -14.8320 -14.7973 -14.7973 -2.3764 -2.3764 6.5501 6.5501 7.6599 7.6599 8.3394 8.3394 14.4844 14.4844 15.4201 15.4201 17.2419 17.2419 17.6990 17.6990 k = 0.4201 0.2426 0.4649 ( 2509 PWs) bands (ev): -44.8419 -44.8419 -43.0010 -43.0010 -42.9951 -42.9951 -17.0126 -17.0126 -16.8634 -16.8634 -16.8260 -16.8260 -15.1960 -15.1960 -15.1049 -15.1049 -14.9731 -14.9731 -14.9156 -14.9156 -14.8286 -14.8286 -14.7948 -14.7948 -2.3711 -2.3711 6.5877 6.5877 7.6091 7.6091 8.3316 8.3316 14.4137 14.4137 15.4953 15.4953 17.2476 17.2476 17.7518 17.7518 k = 0.4167 0.2406 0.4763 ( 2501 PWs) bands (ev): -44.8417 -44.8417 -43.0013 -43.0013 -42.9949 -42.9949 -17.0134 -17.0134 -16.8651 -16.8651 -16.8251 -16.8251 -15.2015 -15.2015 -15.1053 -15.1053 -14.9733 -14.9733 -14.9142 -14.9142 -14.8254 -14.8254 -14.7923 -14.7923 -2.3659 -2.3659 6.6260 6.6260 7.5593 7.5593 8.3238 8.3238 14.3425 14.3425 15.5706 15.5706 17.2548 17.2548 17.8046 17.8046 k = 0.4132 0.2386 0.4876 ( 2515 PWs) bands (ev): -44.8415 -44.8415 -43.0017 -43.0017 -42.9948 -42.9948 -17.0143 -17.0143 -16.8669 -16.8669 -16.8244 -16.8244 -15.2071 -15.2071 -15.1056 -15.1056 -14.9737 -14.9737 -14.9129 -14.9129 -14.8223 -14.8223 -14.7901 -14.7901 -2.3609 -2.3609 6.6647 6.6647 7.5107 7.5107 8.3161 8.3161 14.2715 14.2715 15.6443 15.6443 17.2638 17.2638 17.8571 17.8571 k = 0.4097 0.2366 0.4990 ( 2513 PWs) bands (ev): -44.8413 -44.8413 -43.0021 -43.0021 -42.9946 -42.9946 -17.0151 -17.0151 -16.8686 -16.8686 -16.8235 -16.8235 -15.2125 -15.2125 -15.1058 -15.1058 -14.9739 -14.9739 -14.9115 -14.9115 -14.8193 -14.8193 -14.7879 -14.7879 -2.3560 -2.3560 6.7034 6.7034 7.4638 7.4638 8.3085 8.3085 14.2015 14.2015 15.7152 15.7152 17.2752 17.2752 17.9091 17.9091 k = 0.4062 0.2345 0.5103 ( 2511 PWs) bands (ev): -44.8411 -44.8411 -43.0025 -43.0025 -42.9944 -42.9944 -17.0159 -17.0159 -16.8702 -16.8702 -16.8226 -16.8226 -15.2177 -15.2177 -15.1058 -15.1058 -14.9742 -14.9742 -14.9101 -14.9101 -14.8164 -14.8164 -14.7858 -14.7858 -2.3513 -2.3513 6.7417 6.7417 7.4191 7.4191 8.3010 8.3010 14.1330 14.1330 15.7822 15.7822 17.2893 17.2893 17.9602 17.9602 k = 0.4028 0.2325 0.5217 ( 2513 PWs) bands (ev): -44.8410 -44.8410 -43.0030 -43.0030 -42.9941 -42.9941 -17.0167 -17.0167 -16.8719 -16.8719 -16.8216 -16.8216 -15.2228 -15.2228 -15.1058 -15.1058 -14.9746 -14.9746 -14.9087 -14.9087 -14.8136 -14.8136 -14.7839 -14.7839 -2.3468 -2.3468 6.7789 6.7789 7.3773 7.3773 8.2937 8.2937 14.0662 14.0662 15.8445 15.8445 17.3062 17.3062 18.0103 18.0103 k = 0.3993 0.2305 0.5330 ( 2513 PWs) bands (ev): -44.8408 -44.8408 -43.0035 -43.0035 -42.9938 -42.9938 -17.0174 -17.0174 -16.8735 -16.8735 -16.8207 -16.8207 -15.2277 -15.2277 -15.1057 -15.1057 -14.9750 -14.9750 -14.9072 -14.9072 -14.8110 -14.8110 -14.7822 -14.7822 -2.3426 -2.3426 6.8141 6.8141 7.3393 7.3393 8.2866 8.2866 14.0014 14.0014 15.9012 15.9012 17.3262 17.3262 18.0592 18.0592 k = 0.3958 0.2285 0.5443 ( 2509 PWs) bands (ev): -44.8406 -44.8406 -43.0039 -43.0039 -42.9934 -42.9934 -17.0181 -17.0181 -16.8750 -16.8750 -16.8197 -16.8197 -15.2323 -15.2323 -15.1056 -15.1056 -14.9754 -14.9754 -14.9057 -14.9057 -14.8085 -14.8085 -14.7806 -14.7806 -2.3388 -2.3388 6.8460 6.8460 7.3065 7.3065 8.2797 8.2797 13.9389 13.9389 15.9518 15.9518 17.3489 17.3489 18.1066 18.1066 k = 0.3924 0.2265 0.5557 ( 2513 PWs) bands (ev): -44.8405 -44.8405 -43.0045 -43.0045 -42.9930 -42.9930 -17.0189 -17.0189 -16.8764 -16.8764 -16.8187 -16.8187 -15.2366 -15.2366 -15.1054 -15.1054 -14.9759 -14.9759 -14.9042 -14.9042 -14.8062 -14.8062 -14.7793 -14.7793 -2.3353 -2.3353 6.8725 6.8725 7.2810 7.2810 8.2731 8.2731 13.8787 13.8787 15.9960 15.9960 17.3738 17.3738 18.1524 18.1524 k = 0.3889 0.2245 0.5670 ( 2515 PWs) bands (ev): -44.8404 -44.8404 -43.0050 -43.0050 -42.9926 -42.9926 -17.0196 -17.0196 -16.8778 -16.8778 -16.8177 -16.8177 -15.2408 -15.2408 -15.1053 -15.1053 -14.9765 -14.9765 -14.9027 -14.9027 -14.8039 -14.8039 -14.7781 -14.7781 -2.3321 -2.3321 6.8913 6.8913 7.2651 7.2651 8.2667 8.2667 13.8210 13.8210 16.0337 16.0337 17.4000 17.4000 18.1965 18.1965 k = 0.3854 0.2225 0.5784 ( 2507 PWs) bands (ev): -44.8402 -44.8402 -43.0055 -43.0055 -42.9922 -42.9922 -17.0201 -17.0201 -16.8790 -16.8790 -16.8166 -16.8166 -15.2445 -15.2445 -15.1050 -15.1050 -14.9770 -14.9770 -14.9011 -14.9011 -14.8017 -14.8017 -14.7771 -14.7771 -2.3294 -2.3294 6.9002 6.9002 7.2609 7.2609 8.2607 8.2607 13.7660 13.7660 16.0651 16.0651 17.4263 17.4263 18.2388 18.2388 k = 0.3819 0.2205 0.5897 ( 2509 PWs) bands (ev): -44.8401 -44.8401 -43.0061 -43.0061 -42.9917 -42.9917 -17.0207 -17.0207 -16.8803 -16.8803 -16.8156 -16.8156 -15.2480 -15.2480 -15.1049 -15.1049 -14.9777 -14.9777 -14.8995 -14.8995 -14.7997 -14.7997 -14.7763 -14.7763 -2.3272 -2.3272 6.8986 6.8986 7.2693 7.2693 8.2550 8.2550 13.7136 13.7136 16.0904 16.0904 17.4509 17.4509 18.2791 18.2791 k = 0.3785 0.2185 0.6010 ( 2509 PWs) bands (ev): -44.8401 -44.8401 -43.0067 -43.0067 -42.9912 -42.9912 -17.0212 -17.0212 -16.8814 -16.8814 -16.8146 -16.8146 -15.2511 -15.2511 -15.1048 -15.1048 -14.9784 -14.9784 -14.8979 -14.8979 -14.7978 -14.7978 -14.7758 -14.7758 -2.3255 -2.3255 6.8876 6.8876 7.2887 7.2887 8.2497 8.2497 13.6641 13.6641 16.1102 16.1102 17.4720 17.4720 18.3176 18.3176 k = 0.3750 0.2165 0.6124 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.6250-0.0722 0.4082 ( 2502 PWs) bands (ev): -44.8400 -44.8400 -43.0073 -43.0073 -42.9906 -42.9906 -17.0217 -17.0217 -16.8824 -16.8824 -16.8135 -16.8135 -15.2538 -15.2538 -15.1047 -15.1047 -14.9791 -14.9791 -14.8963 -14.8963 -14.7960 -14.7960 -14.7753 -14.7753 -2.3243 -2.3243 6.8700 6.8700 7.3168 7.3168 8.2447 8.2447 13.6174 13.6174 16.1252 16.1252 17.4878 17.4878 18.3542 18.3542 k = 0.6190-0.0825 0.4082 ( 2504 PWs) bands (ev): -44.8399 -44.8399 -43.0083 -43.0083 -42.9897 -42.9897 -17.0225 -17.0225 -16.8840 -16.8840 -16.8118 -16.8118 -15.2581 -15.2581 -15.1047 -15.1047 -14.9805 -14.9805 -14.8936 -14.8936 -14.7931 -14.7931 -14.7750 -14.7750 -2.3229 -2.3229 6.8361 6.8361 7.3710 7.3710 8.2367 8.2367 13.5406 13.5406 16.1424 16.1424 17.5090 17.5090 18.4154 18.4154 k = 0.6131-0.0928 0.4082 ( 2504 PWs) bands (ev): -44.8398 -44.8398 -43.0092 -43.0092 -42.9888 -42.9888 -17.0232 -17.0232 -16.8856 -16.8856 -16.8100 -16.8100 -15.2623 -15.2623 -15.1047 -15.1047 -14.9817 -14.9817 -14.8910 -14.8910 -14.7903 -14.7903 -14.7746 -14.7746 -2.3218 -2.3218 6.8035 6.8035 7.4259 7.4259 8.2290 8.2290 13.4655 13.4655 16.1502 16.1502 17.5300 17.5300 18.4769 18.4769 k = 0.6071-0.1031 0.4082 ( 2506 PWs) bands (ev): -44.8398 -44.8398 -43.0101 -43.0101 -42.9880 -42.9880 -17.0239 -17.0239 -16.8871 -16.8871 -16.8083 -16.8083 -15.2664 -15.2664 -15.1048 -15.1048 -14.9827 -14.9827 -14.8885 -14.8885 -14.7876 -14.7876 -14.7741 -14.7741 -2.3210 -2.3210 6.7722 6.7722 7.4813 7.4813 8.2216 8.2216 13.3921 13.3921 16.1489 16.1489 17.5505 17.5505 18.5383 18.5383 k = 0.6012-0.1134 0.4082 ( 2506 PWs) bands (ev): -44.8397 -44.8397 -43.0110 -43.0110 -42.9871 -42.9871 -17.0246 -17.0246 -16.8886 -16.8886 -16.8065 -16.8065 -15.2704 -15.2704 -15.1048 -15.1048 -14.9836 -14.9836 -14.8863 -14.8863 -14.7852 -14.7852 -14.7736 -14.7736 -2.3205 -2.3205 6.7423 6.7423 7.5368 7.5368 8.2145 8.2145 13.3206 13.3206 16.1391 16.1391 17.5706 17.5706 18.5993 18.5993 k = 0.5952-0.1237 0.4082 ( 2506 PWs) bands (ev): -44.8397 -44.8397 -43.0118 -43.0118 -42.9864 -42.9864 -17.0253 -17.0253 -16.8899 -16.8899 -16.8048 -16.8048 -15.2740 -15.2740 -15.1049 -15.1049 -14.9846 -14.9846 -14.8840 -14.8840 -14.7827 -14.7827 -14.7734 -14.7734 -2.3203 -2.3203 6.7138 6.7138 7.5922 7.5922 8.2077 8.2077 13.2511 13.2511 16.1217 16.1217 17.5901 17.5901 18.6387 18.6387 k = 0.5893-0.1340 0.4082 ( 2502 PWs) bands (ev): -44.8396 -44.8396 -43.0126 -43.0126 -42.9856 -42.9856 -17.0258 -17.0258 -16.8912 -16.8912 -16.8032 -16.8032 -15.2776 -15.2776 -15.1049 -15.1049 -14.9853 -14.9853 -14.8820 -14.8820 -14.7804 -14.7804 -14.7729 -14.7729 -2.3202 -2.3202 6.6868 6.6868 7.6470 7.6470 8.2013 8.2013 13.1839 13.1839 16.0981 16.0981 17.6089 17.6089 18.6611 18.6611 k = 0.5833-0.1443 0.4082 ( 2506 PWs) bands (ev): -44.8396 -44.8396 -43.0133 -43.0133 -42.9849 -42.9849 -17.0265 -17.0265 -16.8924 -16.8924 -16.8016 -16.8016 -15.2810 -15.2810 -15.1051 -15.1051 -14.9860 -14.9860 -14.8801 -14.8801 -14.7784 -14.7784 -14.7725 -14.7725 -2.3203 -2.3203 6.6614 6.6614 7.7010 7.7010 8.1952 8.1952 13.1190 13.1190 16.0693 16.0693 17.6270 17.6270 18.6923 18.6923 k = 0.5774-0.1546 0.4082 ( 2502 PWs) bands (ev): -44.8396 -44.8396 -43.0141 -43.0141 -42.9842 -42.9842 -17.0270 -17.0270 -16.8935 -16.8935 -16.8000 -16.8000 -15.2842 -15.2842 -15.1050 -15.1050 -14.9865 -14.9865 -14.8784 -14.8784 -14.7765 -14.7765 -14.7719 -14.7719 -2.3205 -2.3205 6.6375 6.6375 7.7538 7.7538 8.1895 8.1895 13.0568 13.0568 16.0368 16.0368 17.6442 17.6442 18.7311 18.7311 k = 0.5714-0.1650 0.4082 ( 2502 PWs) bands (ev): -44.8395 -44.8395 -43.0147 -43.0147 -42.9836 -42.9836 -17.0275 -17.0275 -16.8946 -16.8946 -16.7985 -16.7985 -15.2873 -15.2873 -15.1051 -15.1051 -14.9869 -14.9869 -14.8769 -14.8769 -14.7748 -14.7748 -14.7715 -14.7715 -2.3208 -2.3208 6.6152 6.6152 7.8050 7.8050 8.1842 8.1842 12.9975 12.9975 16.0019 16.0019 17.6605 17.6605 18.7758 18.7758 k = 0.5655-0.1753 0.4082 ( 2506 PWs) bands (ev): -44.8395 -44.8395 -43.0153 -43.0153 -42.9830 -42.9830 -17.0280 -17.0280 -16.8956 -16.8956 -16.7971 -16.7971 -15.2901 -15.2901 -15.1053 -15.1053 -14.9874 -14.9874 -14.8754 -14.8754 -14.7732 -14.7732 -14.7711 -14.7711 -2.3213 -2.3213 6.5946 6.5946 7.8541 7.8541 8.1793 8.1793 12.9413 12.9413 15.9658 15.9658 17.6758 17.6758 18.8250 18.8250 k = 0.5595-0.1856 0.4082 ( 2506 PWs) bands (ev): -44.8395 -44.8395 -43.0159 -43.0159 -42.9825 -42.9825 -17.0285 -17.0285 -16.8965 -16.8965 -16.7958 -16.7958 -15.2927 -15.2927 -15.1054 -15.1054 -14.9877 -14.9877 -14.8741 -14.8741 -14.7717 -14.7717 -14.7707 -14.7707 -2.3217 -2.3217 6.5756 6.5756 7.9010 7.9010 8.1748 8.1748 12.8885 12.8885 15.9296 15.9296 17.6901 17.6901 18.8774 18.8774 k = 0.5536-0.1959 0.4082 ( 2502 PWs) bands (ev): -44.8395 -44.8395 -43.0163 -43.0163 -42.9820 -42.9820 -17.0289 -17.0289 -16.8973 -16.8973 -16.7945 -16.7945 -15.2950 -15.2950 -15.1055 -15.1055 -14.9880 -14.9880 -14.8729 -14.8729 -14.7705 -14.7705 -14.7701 -14.7701 -2.3222 -2.3222 6.5583 6.5583 7.9450 7.9450 8.1707 8.1707 12.8394 12.8394 15.8943 15.8943 17.7032 17.7032 18.9313 18.9313 k = 0.5476-0.2062 0.4082 ( 2494 PWs) bands (ev): -44.8395 -44.8395 -43.0168 -43.0168 -42.9815 -42.9815 -17.0292 -17.0292 -16.8979 -16.8979 -16.7934 -16.7934 -15.2972 -15.2972 -15.1055 -15.1055 -14.9881 -14.9881 -14.8719 -14.8719 -14.7699 -14.7699 -14.7690 -14.7690 -2.3227 -2.3227 6.5428 6.5428 7.9858 7.9858 8.1670 8.1670 12.7943 12.7943 15.8608 15.8608 17.7151 17.7151 18.9855 18.9855 k = 0.5417-0.2165 0.4082 ( 2494 PWs) bands (ev): -44.8395 -44.8395 -43.0172 -43.0172 -42.9811 -42.9811 -17.0295 -17.0295 -16.8986 -16.8986 -16.7924 -16.7924 -15.2991 -15.2991 -15.1056 -15.1056 -14.9883 -14.9883 -14.8710 -14.8710 -14.7696 -14.7696 -14.7680 -14.7680 -2.3232 -2.3232 6.5291 6.5291 8.0229 8.0229 8.1637 8.1637 12.7535 12.7535 15.8297 15.8297 17.7257 17.7257 19.0384 19.0384 k = 0.5357-0.2268 0.4082 ( 2490 PWs) bands (ev): -44.8395 -44.8395 -43.0175 -43.0175 -42.9807 -42.9807 -17.0298 -17.0298 -16.8991 -16.8991 -16.7914 -16.7914 -15.3007 -15.3007 -15.1057 -15.1057 -14.9884 -14.9884 -14.8702 -14.8702 -14.7693 -14.7693 -14.7670 -14.7670 -2.3237 -2.3237 6.5171 6.5171 8.0561 8.0561 8.1609 8.1609 12.7174 12.7174 15.8016 15.8016 17.7350 17.7350 19.0886 19.0886 k = 0.5298-0.2371 0.4082 ( 2486 PWs) bands (ev): -44.8395 -44.8395 -43.0178 -43.0178 -42.9805 -42.9805 -17.0300 -17.0300 -16.8996 -16.8996 -16.7907 -16.7907 -15.3021 -15.3021 -15.1057 -15.1057 -14.9885 -14.9885 -14.8694 -14.8694 -14.7691 -14.7691 -14.7662 -14.7662 -2.3241 -2.3241 6.5070 6.5070 8.0849 8.0849 8.1584 8.1584 12.6863 12.6863 15.7771 15.7771 17.7430 17.7430 19.1346 19.1346 k = 0.5238-0.2474 0.4082 ( 2492 PWs) bands (ev): -44.8395 -44.8395 -43.0181 -43.0181 -42.9802 -42.9802 -17.0302 -17.0302 -16.9000 -16.9000 -16.7901 -16.7901 -15.3033 -15.3033 -15.1058 -15.1058 -14.9886 -14.9886 -14.8689 -14.8689 -14.7690 -14.7690 -14.7656 -14.7656 -2.3245 -2.3245 6.4986 6.4986 8.1089 8.1089 8.1565 8.1565 12.6603 12.6603 15.7565 15.7565 17.7495 17.7495 19.1749 19.1749 k = 0.5179-0.2577 0.4082 ( 2494 PWs) bands (ev): -44.8395 -44.8395 -43.0182 -43.0182 -42.9800 -42.9800 -17.0304 -17.0304 -16.9003 -16.9003 -16.7896 -16.7896 -15.3042 -15.3042 -15.1059 -15.1059 -14.9887 -14.9887 -14.8685 -14.8685 -14.7688 -14.7688 -14.7651 -14.7651 -2.3247 -2.3247 6.4922 6.4922 8.1279 8.1279 8.1550 8.1550 12.6399 12.6399 15.7402 15.7402 17.7547 17.7547 19.2079 19.2079 k = 0.5119-0.2681 0.4082 ( 2496 PWs) bands (ev): -44.8395 -44.8395 -43.0184 -43.0184 -42.9799 -42.9799 -17.0305 -17.0305 -16.9005 -16.9005 -16.7893 -16.7893 -15.3049 -15.3049 -15.1060 -15.1060 -14.9888 -14.9888 -14.8682 -14.8682 -14.7687 -14.7687 -14.7647 -14.7647 -2.3250 -2.3250 6.4875 6.4875 8.1415 8.1415 8.1540 8.1540 12.6251 12.6251 15.7284 15.7284 17.7584 17.7584 19.2324 19.2324 k = 0.5060-0.2784 0.4082 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9007 -16.9007 -16.7891 -16.7891 -15.3053 -15.3053 -15.1060 -15.1060 -14.9888 -14.9888 -14.8681 -14.8681 -14.7687 -14.7687 -14.7645 -14.7645 -2.3251 -2.3251 6.4847 6.4847 8.1493 8.1493 8.1538 8.1538 12.6162 12.6162 15.7212 15.7212 17.7606 17.7606 19.2467 19.2467 k = 0.5000-0.2887 0.4082 ( 2498 PWs) bands (ev): -44.8395 -44.8395 -43.0185 -43.0185 -42.9798 -42.9798 -17.0306 -17.0306 -16.9008 -16.9008 -16.7890 -16.7890 -15.3054 -15.3054 -15.1060 -15.1060 -14.9888 -14.9888 -14.8680 -14.8680 -14.7686 -14.7686 -14.7644 -14.7644 -2.3251 -2.3251 6.4838 6.4838 8.1512 8.1512 8.1545 8.1545 12.6132 12.6132 15.7188 15.7188 17.7613 17.7613 19.2510 19.2510 Writing output data file Na3N.save init_run : 0.06s CPU 0.20s WALL ( 1 calls) electrons : 65.62s CPU 67.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 65.62s CPU 67.20s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 386 calls) cegterg : 59.28s CPU 60.30s WALL ( 395 calls) Called by sum_band: Called by *egterg: h_psi : 35.87s CPU 36.97s WALL ( 5100 calls) s_psi : 0.64s CPU 0.55s WALL ( 5100 calls) g_psi : 0.09s CPU 0.08s WALL ( 4319 calls) cdiaghg : 24.20s CPU 24.23s WALL ( 4705 calls) cegterg:over : 1.69s CPU 1.72s WALL ( 4319 calls) cegterg:upda : 0.88s CPU 1.13s WALL ( 4319 calls) cegterg:last : 0.63s CPU 0.66s WALL ( 781 calls) cdiaghg:chol : 1.18s CPU 1.21s WALL ( 4705 calls) cdiaghg:inve : 0.75s CPU 0.78s WALL ( 4705 calls) cdiaghg:para : 1.28s CPU 1.33s WALL ( 9410 calls) Called by h_psi: h_psi:vloc : 34.30s CPU 35.27s WALL ( 5100 calls) h_psi:vnl : 1.51s CPU 1.66s WALL ( 5100 calls) add_vuspsi : 0.63s CPU 0.66s WALL ( 5100 calls) General routines calbec : 0.87s CPU 0.99s WALL ( 5100 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.43s CPU 33.27s WALL ( 443808 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.19s WALL ( 772 calls) Parallel routines fft_scatter : 11.20s CPU 11.57s WALL ( 443831 calls) PWSCF : 1m16.56s CPU 1m35.10s WALL This run was terminated on: 20:57:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=