Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:17 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: ./Fe2Si.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 838 566 89 Max 27 21 8 845 583 96 Sum 955 745 223 30305 20681 3389 bravais-lattice index = 14 lattice parameter (alat) = 7.6572 a.u. unit-cell volume = 487.9294 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.657170 celldm(2)= 1.000000 celldm(3)= 1.254936 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.254936 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.796853 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0028736 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0028736 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0028736 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0028736 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0028736 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0028736 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0028736 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0028736 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0028736 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0028736 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0028736 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0028736 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0028736 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0028736 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0028736 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0028736 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0028736 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0028736 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0028736 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028736 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0028736 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0028736 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0028736 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0028736 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0028736 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0028736 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0028736 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0028736 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0128525), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0257049), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0385574), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0514099), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0642624), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0771149), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0899673), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1028198), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1156723), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1285248), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1413772), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1542297), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1670822), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1799347), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1927871), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2056396), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2184921), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2313446), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2441970), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2570495), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2699020), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2827545), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2956069), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3084594), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3213119), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3341644), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3470168), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3598693), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3727218), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.3855743), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.3984267), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.3984267), wk = 0.0028736 k( 160) = ( 0.0111111 0.0064150 0.3984267), wk = 0.0028736 k( 161) = ( 0.0222222 0.0128300 0.3984267), wk = 0.0028736 k( 162) = ( 0.0333333 0.0192450 0.3984267), wk = 0.0028736 k( 163) = ( 0.0444444 0.0256600 0.3984267), wk = 0.0028736 k( 164) = ( 0.0555556 0.0320750 0.3984267), wk = 0.0028736 k( 165) = ( 0.0666667 0.0384900 0.3984267), wk = 0.0028736 k( 166) = ( 0.0777778 0.0449050 0.3984267), wk = 0.0028736 k( 167) = ( 0.0888889 0.0513200 0.3984267), wk = 0.0028736 k( 168) = ( 0.1000000 0.0577350 0.3984267), wk = 0.0028736 k( 169) = ( 0.1111111 0.0641500 0.3984267), wk = 0.0028736 k( 170) = ( 0.1222222 0.0705650 0.3984267), wk = 0.0028736 k( 171) = ( 0.1333333 0.0769800 0.3984267), wk = 0.0028736 k( 172) = ( 0.1444444 0.0833950 0.3984267), wk = 0.0028736 k( 173) = ( 0.1555556 0.0898100 0.3984267), wk = 0.0028736 k( 174) = ( 0.1666667 0.0962250 0.3984267), wk = 0.0028736 k( 175) = ( 0.1777778 0.1026400 0.3984267), wk = 0.0028736 k( 176) = ( 0.1888889 0.1090551 0.3984267), wk = 0.0028736 k( 177) = ( 0.2000000 0.1154701 0.3984267), wk = 0.0028736 k( 178) = ( 0.2111111 0.1218851 0.3984267), wk = 0.0028736 k( 179) = ( 0.2222222 0.1283001 0.3984267), wk = 0.0028736 k( 180) = ( 0.2333333 0.1347151 0.3984267), wk = 0.0028736 k( 181) = ( 0.2444444 0.1411301 0.3984267), wk = 0.0028736 k( 182) = ( 0.2555556 0.1475451 0.3984267), wk = 0.0028736 k( 183) = ( 0.2666667 0.1539601 0.3984267), wk = 0.0028736 k( 184) = ( 0.2777778 0.1603751 0.3984267), wk = 0.0028736 k( 185) = ( 0.2888889 0.1667901 0.3984267), wk = 0.0028736 k( 186) = ( 0.3000000 0.1732051 0.3984267), wk = 0.0028736 k( 187) = ( 0.3111111 0.1796201 0.3984267), wk = 0.0028736 k( 188) = ( 0.3222222 0.1860351 0.3984267), wk = 0.0028736 k( 189) = ( 0.3333333 0.1924501 0.3984267), wk = 0.0028736 k( 190) = ( 0.3444444 0.1988651 0.3984267), wk = 0.0028736 k( 191) = ( 0.3555556 0.2052801 0.3984267), wk = 0.0028736 k( 192) = ( 0.3666667 0.2116951 0.3984267), wk = 0.0028736 k( 193) = ( 0.3777778 0.2181101 0.3984267), wk = 0.0028736 k( 194) = ( 0.3888889 0.2245251 0.3984267), wk = 0.0028736 k( 195) = ( 0.4000000 0.2309401 0.3984267), wk = 0.0028736 k( 196) = ( 0.4111111 0.2373551 0.3984267), wk = 0.0028736 k( 197) = ( 0.4222222 0.2437701 0.3984267), wk = 0.0028736 k( 198) = ( 0.4333333 0.2501851 0.3984267), wk = 0.0028736 k( 199) = ( 0.4444444 0.2566001 0.3984267), wk = 0.0028736 k( 200) = ( 0.4555556 0.2630151 0.3984267), wk = 0.0028736 k( 201) = ( 0.4666667 0.2694301 0.3984267), wk = 0.0028736 k( 202) = ( 0.4777778 0.2758451 0.3984267), wk = 0.0028736 k( 203) = ( 0.4888889 0.2822601 0.3984267), wk = 0.0028736 k( 204) = ( 0.5000000 0.2886751 0.3984267), wk = 0.0028736 k( 205) = ( 0.5000000 0.2886751 0.3984267), wk = 0.0028736 k( 206) = ( 0.4935897 0.2997780 0.3984267), wk = 0.0028736 k( 207) = ( 0.4871795 0.3108809 0.3984267), wk = 0.0028736 k( 208) = ( 0.4807692 0.3219838 0.3984267), wk = 0.0028736 k( 209) = ( 0.4743590 0.3330867 0.3984267), wk = 0.0028736 k( 210) = ( 0.4679487 0.3441896 0.3984267), wk = 0.0028736 k( 211) = ( 0.4615385 0.3552925 0.3984267), wk = 0.0028736 k( 212) = ( 0.4551282 0.3663954 0.3984267), wk = 0.0028736 k( 213) = ( 0.4487179 0.3774983 0.3984267), wk = 0.0028736 k( 214) = ( 0.4423077 0.3886011 0.3984267), wk = 0.0028736 k( 215) = ( 0.4358974 0.3997040 0.3984267), wk = 0.0028736 k( 216) = ( 0.4294872 0.4108069 0.3984267), wk = 0.0028736 k( 217) = ( 0.4230769 0.4219098 0.3984267), wk = 0.0028736 k( 218) = ( 0.4166667 0.4330127 0.3984267), wk = 0.0028736 k( 219) = ( 0.4102564 0.4441156 0.3984267), wk = 0.0028736 k( 220) = ( 0.4038462 0.4552185 0.3984267), wk = 0.0028736 k( 221) = ( 0.3974359 0.4663214 0.3984267), wk = 0.0028736 k( 222) = ( 0.3910256 0.4774243 0.3984267), wk = 0.0028736 k( 223) = ( 0.3846154 0.4885271 0.3984267), wk = 0.0028736 k( 224) = ( 0.3782051 0.4996300 0.3984267), wk = 0.0028736 k( 225) = ( 0.3717949 0.5107329 0.3984267), wk = 0.0028736 k( 226) = ( 0.3653846 0.5218358 0.3984267), wk = 0.0028736 k( 227) = ( 0.3589744 0.5329387 0.3984267), wk = 0.0028736 k( 228) = ( 0.3525641 0.5440416 0.3984267), wk = 0.0028736 k( 229) = ( 0.3461538 0.5551445 0.3984267), wk = 0.0028736 k( 230) = ( 0.3397436 0.5662474 0.3984267), wk = 0.0028736 k( 231) = ( 0.3333333 0.5773503 0.3984267), wk = 0.0028736 k( 232) = ( 0.3333333 0.5773503 0.3984267), wk = 0.0028736 k( 233) = ( 0.3269231 0.5662474 0.3984267), wk = 0.0028736 k( 234) = ( 0.3205128 0.5551445 0.3984267), wk = 0.0028736 k( 235) = ( 0.3141026 0.5440416 0.3984267), wk = 0.0028736 k( 236) = ( 0.3076923 0.5329387 0.3984267), wk = 0.0028736 k( 237) = ( 0.3012821 0.5218358 0.3984267), wk = 0.0028736 k( 238) = ( 0.2948718 0.5107329 0.3984267), wk = 0.0028736 k( 239) = ( 0.2884615 0.4996300 0.3984267), wk = 0.0028736 k( 240) = ( 0.2820513 0.4885271 0.3984267), wk = 0.0028736 k( 241) = ( 0.2756410 0.4774243 0.3984267), wk = 0.0028736 k( 242) = ( 0.2692308 0.4663214 0.3984267), wk = 0.0028736 k( 243) = ( 0.2628205 0.4552185 0.3984267), wk = 0.0028736 k( 244) = ( 0.2564103 0.4441156 0.3984267), wk = 0.0028736 k( 245) = ( 0.2500000 0.4330127 0.3984267), wk = 0.0028736 k( 246) = ( 0.2435897 0.4219098 0.3984267), wk = 0.0028736 k( 247) = ( 0.2371795 0.4108069 0.3984267), wk = 0.0028736 k( 248) = ( 0.2307692 0.3997040 0.3984267), wk = 0.0028736 k( 249) = ( 0.2243590 0.3886011 0.3984267), wk = 0.0028736 k( 250) = ( 0.2179487 0.3774983 0.3984267), wk = 0.0028736 k( 251) = ( 0.2115385 0.3663954 0.3984267), wk = 0.0028736 k( 252) = ( 0.2051282 0.3552925 0.3984267), wk = 0.0028736 k( 253) = ( 0.1987180 0.3441896 0.3984267), wk = 0.0028736 k( 254) = ( 0.1923077 0.3330867 0.3984267), wk = 0.0028736 k( 255) = ( 0.1858974 0.3219838 0.3984267), wk = 0.0028736 k( 256) = ( 0.1794872 0.3108809 0.3984267), wk = 0.0028736 k( 257) = ( 0.1730769 0.2997780 0.3984267), wk = 0.0028736 k( 258) = ( 0.1666667 0.2886751 0.3984267), wk = 0.0028736 k( 259) = ( 0.1602564 0.2775722 0.3984267), wk = 0.0028736 k( 260) = ( 0.1538461 0.2664693 0.3984267), wk = 0.0028736 k( 261) = ( 0.1474359 0.2553665 0.3984267), wk = 0.0028736 k( 262) = ( 0.1410256 0.2442636 0.3984267), wk = 0.0028736 k( 263) = ( 0.1346154 0.2331607 0.3984267), wk = 0.0028736 k( 264) = ( 0.1282051 0.2220578 0.3984267), wk = 0.0028736 k( 265) = ( 0.1217949 0.2109549 0.3984267), wk = 0.0028736 k( 266) = ( 0.1153846 0.1998520 0.3984267), wk = 0.0028736 k( 267) = ( 0.1089744 0.1887491 0.3984267), wk = 0.0028736 k( 268) = ( 0.1025641 0.1776462 0.3984267), wk = 0.0028736 k( 269) = ( 0.0961538 0.1665434 0.3984267), wk = 0.0028736 k( 270) = ( 0.0897436 0.1554405 0.3984267), wk = 0.0028736 k( 271) = ( 0.0833333 0.1443376 0.3984267), wk = 0.0028736 k( 272) = ( 0.0769231 0.1332347 0.3984267), wk = 0.0028736 k( 273) = ( 0.0705128 0.1221318 0.3984267), wk = 0.0028736 k( 274) = ( 0.0641026 0.1110289 0.3984267), wk = 0.0028736 k( 275) = ( 0.0576923 0.0999260 0.3984267), wk = 0.0028736 k( 276) = ( 0.0512821 0.0888231 0.3984267), wk = 0.0028736 k( 277) = ( 0.0448718 0.0777202 0.3984267), wk = 0.0028736 k( 278) = ( 0.0384615 0.0666173 0.3984267), wk = 0.0028736 k( 279) = ( 0.0320513 0.0555144 0.3984267), wk = 0.0028736 k( 280) = ( 0.0256410 0.0444116 0.3984267), wk = 0.0028736 k( 281) = ( 0.0192308 0.0333087 0.3984267), wk = 0.0028736 k( 282) = ( 0.0128205 0.0222058 0.3984267), wk = 0.0028736 k( 283) = ( 0.0064103 0.0111029 0.3984267), wk = 0.0028736 k( 284) = ( 0.0000000 0.0000000 0.3984267), wk = 0.0028736 k( 285) = ( 0.5000000 0.2886751 0.3984267), wk = 0.0028736 k( 286) = ( 0.5000000 0.2886751 0.3855743), wk = 0.0028736 k( 287) = ( 0.5000000 0.2886751 0.3727218), wk = 0.0028736 k( 288) = ( 0.5000000 0.2886751 0.3598693), wk = 0.0028736 k( 289) = ( 0.5000000 0.2886751 0.3470168), wk = 0.0028736 k( 290) = ( 0.5000000 0.2886751 0.3341644), wk = 0.0028736 k( 291) = ( 0.5000000 0.2886751 0.3213119), wk = 0.0028736 k( 292) = ( 0.5000000 0.2886751 0.3084594), wk = 0.0028736 k( 293) = ( 0.5000000 0.2886751 0.2956069), wk = 0.0028736 k( 294) = ( 0.5000000 0.2886751 0.2827545), wk = 0.0028736 k( 295) = ( 0.5000000 0.2886751 0.2699020), wk = 0.0028736 k( 296) = ( 0.5000000 0.2886751 0.2570495), wk = 0.0028736 k( 297) = ( 0.5000000 0.2886751 0.2441970), wk = 0.0028736 k( 298) = ( 0.5000000 0.2886751 0.2313446), wk = 0.0028736 k( 299) = ( 0.5000000 0.2886751 0.2184921), wk = 0.0028736 k( 300) = ( 0.5000000 0.2886751 0.2056396), wk = 0.0028736 k( 301) = ( 0.5000000 0.2886751 0.1927871), wk = 0.0028736 k( 302) = ( 0.5000000 0.2886751 0.1799347), wk = 0.0028736 k( 303) = ( 0.5000000 0.2886751 0.1670822), wk = 0.0028736 k( 304) = ( 0.5000000 0.2886751 0.1542297), wk = 0.0028736 k( 305) = ( 0.5000000 0.2886751 0.1413772), wk = 0.0028736 k( 306) = ( 0.5000000 0.2886751 0.1285248), wk = 0.0028736 k( 307) = ( 0.5000000 0.2886751 0.1156723), wk = 0.0028736 k( 308) = ( 0.5000000 0.2886751 0.1028198), wk = 0.0028736 k( 309) = ( 0.5000000 0.2886751 0.0899673), wk = 0.0028736 k( 310) = ( 0.5000000 0.2886751 0.0771149), wk = 0.0028736 k( 311) = ( 0.5000000 0.2886751 0.0642624), wk = 0.0028736 k( 312) = ( 0.5000000 0.2886751 0.0514099), wk = 0.0028736 k( 313) = ( 0.5000000 0.2886751 0.0385574), wk = 0.0028736 k( 314) = ( 0.5000000 0.2886751 0.0257049), wk = 0.0028736 k( 315) = ( 0.5000000 0.2886751 0.0128525), wk = 0.0028736 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 318) = ( 0.3333333 0.5773503 0.0128525), wk = 0.0028736 k( 319) = ( 0.3333333 0.5773503 0.0257049), wk = 0.0028736 k( 320) = ( 0.3333333 0.5773503 0.0385574), wk = 0.0028736 k( 321) = ( 0.3333333 0.5773503 0.0514099), wk = 0.0028736 k( 322) = ( 0.3333333 0.5773503 0.0642624), wk = 0.0028736 k( 323) = ( 0.3333333 0.5773503 0.0771149), wk = 0.0028736 k( 324) = ( 0.3333333 0.5773503 0.0899673), wk = 0.0028736 k( 325) = ( 0.3333333 0.5773503 0.1028198), wk = 0.0028736 k( 326) = ( 0.3333333 0.5773503 0.1156723), wk = 0.0028736 k( 327) = ( 0.3333333 0.5773503 0.1285248), wk = 0.0028736 k( 328) = ( 0.3333333 0.5773503 0.1413772), wk = 0.0028736 k( 329) = ( 0.3333333 0.5773503 0.1542297), wk = 0.0028736 k( 330) = ( 0.3333333 0.5773503 0.1670822), wk = 0.0028736 k( 331) = ( 0.3333333 0.5773503 0.1799347), wk = 0.0028736 k( 332) = ( 0.3333333 0.5773503 0.1927871), wk = 0.0028736 k( 333) = ( 0.3333333 0.5773503 0.2056396), wk = 0.0028736 k( 334) = ( 0.3333333 0.5773503 0.2184921), wk = 0.0028736 k( 335) = ( 0.3333333 0.5773503 0.2313446), wk = 0.0028736 k( 336) = ( 0.3333333 0.5773503 0.2441970), wk = 0.0028736 k( 337) = ( 0.3333333 0.5773503 0.2570495), wk = 0.0028736 k( 338) = ( 0.3333333 0.5773503 0.2699020), wk = 0.0028736 k( 339) = ( 0.3333333 0.5773503 0.2827545), wk = 0.0028736 k( 340) = ( 0.3333333 0.5773503 0.2956069), wk = 0.0028736 k( 341) = ( 0.3333333 0.5773503 0.3084594), wk = 0.0028736 k( 342) = ( 0.3333333 0.5773503 0.3213119), wk = 0.0028736 k( 343) = ( 0.3333333 0.5773503 0.3341644), wk = 0.0028736 k( 344) = ( 0.3333333 0.5773503 0.3470168), wk = 0.0028736 k( 345) = ( 0.3333333 0.5773503 0.3598693), wk = 0.0028736 k( 346) = ( 0.3333333 0.5773503 0.3727218), wk = 0.0028736 k( 347) = ( 0.3333333 0.5773503 0.3855743), wk = 0.0028736 k( 348) = ( 0.3333333 0.5773503 0.3984267), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0028736 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0028736 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0028736 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0028736 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0028736 k( 40) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0028736 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0028736 k( 50) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4743590 0.0512821 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0028736 k( 55) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0028736 k( 59) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028736 k( 61) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0028736 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0028736 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0028736 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0028736 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0028736 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0028736 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0028736 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0028736 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0028736 k( 76) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0028736 k( 78) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3012821 0.3012821 -0.0000000), wk = 0.0028736 k( 80) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0028736 k( 81) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0028736 k( 83) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2628205 0.2628205 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028736 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0028736 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0028736 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0028736 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0028736 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0028736 k( 96) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0028736 k( 97) = ( 0.1858974 0.1858974 -0.0000000), wk = 0.0028736 k( 98) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0028736 k( 99) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0028736 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028736 k( 101) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0028736 k( 102) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0028736 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0028736 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0028736 k( 105) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0028736 k( 106) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0028736 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0028736 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0028736 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0028736 k( 111) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0028736 k( 112) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0028736 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0028736 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0028736 k( 118) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 128) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0028736 k( 193) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0028736 k( 194) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0028736 k( 195) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0028736 k( 196) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0028736 k( 197) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0028736 k( 198) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0028736 k( 199) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0028736 k( 200) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0028736 k( 201) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0028736 k( 202) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0028736 k( 203) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0028736 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 206) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0028736 k( 207) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0028736 k( 208) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0028736 k( 209) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0028736 k( 210) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0028736 k( 211) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0028736 k( 212) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0028736 k( 213) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0028736 k( 214) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0028736 k( 215) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0028736 k( 216) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0028736 k( 217) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0028736 k( 218) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028736 k( 219) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0028736 k( 220) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0028736 k( 221) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0028736 k( 222) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0028736 k( 223) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0028736 k( 224) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0028736 k( 225) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0028736 k( 226) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0028736 k( 227) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0028736 k( 228) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0028736 k( 229) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0028736 k( 230) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0028736 k( 231) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 233) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0028736 k( 234) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0028736 k( 235) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0028736 k( 236) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0028736 k( 237) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0028736 k( 238) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0028736 k( 239) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0028736 k( 240) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0028736 k( 241) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0028736 k( 242) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0028736 k( 243) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0028736 k( 244) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0028736 k( 245) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028736 k( 246) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0028736 k( 247) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0028736 k( 248) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0028736 k( 249) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0028736 k( 250) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0028736 k( 251) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0028736 k( 252) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0028736 k( 253) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0028736 k( 254) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0028736 k( 255) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0028736 k( 256) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0028736 k( 257) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0028736 k( 258) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028736 k( 259) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0028736 k( 260) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0028736 k( 261) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0028736 k( 262) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0028736 k( 263) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0028736 k( 264) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0028736 k( 265) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0028736 k( 266) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0028736 k( 267) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0028736 k( 268) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0028736 k( 269) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0028736 k( 270) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0028736 k( 271) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028736 k( 272) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0028736 k( 273) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0028736 k( 274) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0028736 k( 275) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0028736 k( 276) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0028736 k( 277) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0028736 k( 278) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0028736 k( 279) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0028736 k( 280) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0028736 k( 281) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0028736 k( 282) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0028736 k( 283) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0028736 k( 284) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 285) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 286) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0028736 k( 287) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0028736 k( 288) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0028736 k( 289) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0028736 k( 290) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0028736 k( 291) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0028736 k( 292) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0028736 k( 293) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0028736 k( 294) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0028736 k( 295) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0028736 k( 296) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028736 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 318) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0028736 k( 319) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0028736 k( 320) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0028736 k( 321) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0028736 k( 322) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0028736 k( 323) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0028736 k( 324) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0028736 k( 325) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0028736 k( 326) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0028736 k( 327) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0028736 k( 328) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0028736 k( 329) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0028736 k( 330) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0028736 k( 331) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0028736 k( 332) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0028736 k( 333) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0028736 k( 334) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0028736 k( 335) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0028736 k( 336) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0028736 k( 337) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0028736 k( 338) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0028736 k( 339) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0028736 k( 340) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0028736 k( 341) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0028736 k( 342) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0028736 k( 343) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0028736 k( 344) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0028736 k( 345) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0028736 k( 346) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0028736 k( 347) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0028736 k( 348) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 Dense grid: 30305 G-vectors FFT dimensions: ( 40, 40, 48) Smooth grid: 20681 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 142, 48) NL pseudopotentials 0.22 Mb ( 71, 204) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 843) G-vector shells 0.00 Mb ( 423) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 142, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.30 Mb ( 204, 2, 48) The potential is recalculated from file : ./Fe2Si.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 9.8 secs Computing kpt #: 18 total cpu time spent up to now is 10.2 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.4 secs Computing kpt #: 24 total cpu time spent up to now is 12.9 secs Computing kpt #: 25 total cpu time spent up to now is 13.4 secs Computing kpt #: 26 total cpu time spent up to now is 13.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.2 secs Computing kpt #: 28 total cpu time spent up to now is 14.7 secs Computing kpt #: 29 total cpu time spent up to now is 15.1 secs Computing kpt #: 30 total cpu time spent up to now is 15.5 secs Computing kpt #: 31 total cpu time spent up to now is 15.9 secs Computing kpt #: 32 total cpu time spent up to now is 16.3 secs Computing kpt #: 33 total cpu time spent up to now is 16.7 secs Computing kpt #: 34 total cpu time spent up to now is 17.2 secs Computing kpt #: 35 total cpu time spent up to now is 17.6 secs Computing kpt #: 36 total cpu time spent up to now is 18.0 secs Computing kpt #: 37 total cpu time spent up to now is 18.4 secs Computing kpt #: 38 total cpu time spent up to now is 18.8 secs Computing kpt #: 39 total cpu time spent up to now is 19.3 secs Computing kpt #: 40 total cpu time spent up to now is 19.7 secs Computing kpt #: 41 total cpu time spent up to now is 20.2 secs Computing kpt #: 42 total cpu time spent up to now is 20.6 secs Computing kpt #: 43 total cpu time spent up to now is 21.0 secs Computing kpt #: 44 total cpu time spent up to now is 21.5 secs Computing kpt #: 45 total cpu time spent up to now is 22.0 secs Computing kpt #: 46 total cpu time spent up to now is 22.7 secs Computing kpt #: 47 total cpu time spent up to now is 23.2 secs Computing kpt #: 48 total cpu time spent up to now is 23.7 secs Computing kpt #: 49 total cpu time spent up to now is 24.2 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.4 secs Computing kpt #: 55 total cpu time spent up to now is 26.8 secs Computing kpt #: 56 total cpu time spent up to now is 27.2 secs Computing kpt #: 57 total cpu time spent up to now is 27.6 secs Computing kpt #: 58 total cpu time spent up to now is 28.0 secs Computing kpt #: 59 total cpu time spent up to now is 28.4 secs Computing kpt #: 60 total cpu time spent up to now is 28.8 secs Computing kpt #: 61 total cpu time spent up to now is 29.2 secs Computing kpt #: 62 total cpu time spent up to now is 29.6 secs Computing kpt #: 63 total cpu time spent up to now is 30.0 secs Computing kpt #: 64 total cpu time spent up to now is 30.4 secs Computing kpt #: 65 total cpu time spent up to now is 30.8 secs Computing kpt #: 66 total cpu time spent up to now is 31.2 secs Computing kpt #: 67 total cpu time spent up to now is 31.6 secs Computing kpt #: 68 total cpu time spent up to now is 32.0 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 33.9 secs Computing kpt #: 74 total cpu time spent up to now is 34.2 secs Computing kpt #: 75 total cpu time spent up to now is 34.6 secs Computing kpt #: 76 total cpu time spent up to now is 35.0 secs Computing kpt #: 77 total cpu time spent up to now is 35.4 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.2 secs Computing kpt #: 80 total cpu time spent up to now is 36.5 secs Computing kpt #: 81 total cpu time spent up to now is 36.9 secs Computing kpt #: 82 total cpu time spent up to now is 37.3 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.1 secs Computing kpt #: 85 total cpu time spent up to now is 38.4 secs Computing kpt #: 86 total cpu time spent up to now is 38.8 secs Computing kpt #: 87 total cpu time spent up to now is 39.2 secs Computing kpt #: 88 total cpu time spent up to now is 39.6 secs Computing kpt #: 89 total cpu time spent up to now is 40.0 secs Computing kpt #: 90 total cpu time spent up to now is 40.4 secs Computing kpt #: 91 total cpu time spent up to now is 40.8 secs Computing kpt #: 92 total cpu time spent up to now is 41.4 secs Computing kpt #: 93 total cpu time spent up to now is 41.8 secs Computing kpt #: 94 total cpu time spent up to now is 42.2 secs Computing kpt #: 95 total cpu time spent up to now is 42.6 secs Computing kpt #: 96 total cpu time spent up to now is 43.0 secs Computing kpt #: 97 total cpu time spent up to now is 43.4 secs Computing kpt #: 98 total cpu time spent up to now is 43.8 secs Computing kpt #: 99 total cpu time spent up to now is 44.2 secs Computing kpt #: 100 total cpu time spent up to now is 44.6 secs Computing kpt #: 101 total cpu time spent up to now is 45.1 secs Computing kpt #: 102 total cpu time spent up to now is 45.5 secs Computing kpt #: 103 total cpu time spent up to now is 45.9 secs Computing kpt #: 104 total cpu time spent up to now is 46.4 secs Computing kpt #: 105 total cpu time spent up to now is 46.8 secs Computing kpt #: 106 total cpu time spent up to now is 47.3 secs Computing kpt #: 107 total cpu time spent up to now is 47.7 secs Computing kpt #: 108 total cpu time spent up to now is 48.2 secs Computing kpt #: 109 total cpu time spent up to now is 48.7 secs Computing kpt #: 110 total cpu time spent up to now is 49.2 secs Computing kpt #: 111 total cpu time spent up to now is 49.7 secs Computing kpt #: 112 total cpu time spent up to now is 50.2 secs Computing kpt #: 113 total cpu time spent up to now is 50.7 secs Computing kpt #: 114 total cpu time spent up to now is 51.1 secs Computing kpt #: 115 total cpu time spent up to now is 51.6 secs Computing kpt #: 116 total cpu time spent up to now is 52.2 secs Computing kpt #: 117 total cpu time spent up to now is 52.7 secs Computing kpt #: 118 total cpu time spent up to now is 53.2 secs Computing kpt #: 119 total cpu time spent up to now is 53.6 secs Computing kpt #: 120 total cpu time spent up to now is 54.2 secs Computing kpt #: 121 total cpu time spent up to now is 54.7 secs Computing kpt #: 122 total cpu time spent up to now is 55.2 secs Computing kpt #: 123 total cpu time spent up to now is 55.6 secs Computing kpt #: 124 total cpu time spent up to now is 56.1 secs Computing kpt #: 125 total cpu time spent up to now is 56.5 secs Computing kpt #: 126 total cpu time spent up to now is 57.0 secs Computing kpt #: 127 total cpu time spent up to now is 57.4 secs Computing kpt #: 128 total cpu time spent up to now is 57.9 secs Computing kpt #: 129 total cpu time spent up to now is 58.3 secs Computing kpt #: 130 total cpu time spent up to now is 58.8 secs Computing kpt #: 131 total cpu time spent up to now is 59.2 secs Computing kpt #: 132 total cpu time spent up to now is 59.7 secs Computing kpt #: 133 total cpu time spent up to now is 60.1 secs Computing kpt #: 134 total cpu time spent up to now is 60.6 secs Computing kpt #: 135 total cpu time spent up to now is 61.0 secs Computing kpt #: 136 total cpu time spent up to now is 61.5 secs Computing kpt #: 137 total cpu time spent up to now is 61.9 secs Computing kpt #: 138 total cpu time spent up to now is 62.4 secs Computing kpt #: 139 total cpu time spent up to now is 62.8 secs Computing kpt #: 140 total cpu time spent up to now is 63.3 secs Computing kpt #: 141 total cpu time spent up to now is 63.7 secs Computing kpt #: 142 total cpu time spent up to now is 64.2 secs Computing kpt #: 143 total cpu time spent up to now is 64.7 secs Computing kpt #: 144 total cpu time spent up to now is 65.1 secs Computing kpt #: 145 total cpu time spent up to now is 65.6 secs Computing kpt #: 146 total cpu time spent up to now is 66.1 secs Computing kpt #: 147 total cpu time spent up to now is 66.7 secs Computing kpt #: 148 total cpu time spent up to now is 67.2 secs Computing kpt #: 149 total cpu time spent up to now is 67.7 secs Computing kpt #: 150 total cpu time spent up to now is 68.1 secs Computing kpt #: 151 total cpu time spent up to now is 68.6 secs Computing kpt #: 152 total cpu time spent up to now is 69.0 secs Computing kpt #: 153 total cpu time spent up to now is 69.5 secs Computing kpt #: 154 total cpu time spent up to now is 69.9 secs Computing kpt #: 155 total cpu time spent up to now is 70.3 secs Computing kpt #: 156 total cpu time spent up to now is 70.8 secs Computing kpt #: 157 total cpu time spent up to now is 71.2 secs Computing kpt #: 158 total cpu time spent up to now is 71.7 secs Computing kpt #: 159 total cpu time spent up to now is 72.1 secs Computing kpt #: 160 total cpu time spent up to now is 72.6 secs Computing kpt #: 161 total cpu time spent up to now is 73.0 secs Computing kpt #: 162 total cpu time spent up to now is 73.5 secs Computing kpt #: 163 total cpu time spent up to now is 73.9 secs Computing kpt #: 164 total cpu time spent up to now is 74.4 secs Computing kpt #: 165 total cpu time spent up to now is 74.8 secs Computing kpt #: 166 total cpu time spent up to now is 75.3 secs Computing kpt #: 167 total cpu time spent up to now is 75.7 secs Computing kpt #: 168 total cpu time spent up to now is 76.2 secs Computing kpt #: 169 total cpu time spent up to now is 76.6 secs Computing kpt #: 170 total cpu time spent up to now is 77.1 secs Computing kpt #: 171 total cpu time spent up to now is 77.5 secs Computing kpt #: 172 total cpu time spent up to now is 77.9 secs Computing kpt #: 173 total cpu time spent up to now is 78.3 secs Computing kpt #: 174 total cpu time spent up to now is 78.8 secs Computing kpt #: 175 total cpu time spent up to now is 79.2 secs Computing kpt #: 176 total cpu time spent up to now is 79.6 secs Computing kpt #: 177 total cpu time spent up to now is 80.0 secs Computing kpt #: 178 total cpu time spent up to now is 80.4 secs Computing kpt #: 179 total cpu time spent up to now is 80.9 secs Computing kpt #: 180 total cpu time spent up to now is 81.3 secs Computing kpt #: 181 total cpu time spent up to now is 81.7 secs Computing kpt #: 182 total cpu time spent up to now is 82.1 secs Computing kpt #: 183 total cpu time spent up to now is 82.5 secs Computing kpt #: 184 total cpu time spent up to now is 82.9 secs Computing kpt #: 185 total cpu time spent up to now is 83.3 secs Computing kpt #: 186 total cpu time spent up to now is 83.7 secs Computing kpt #: 187 total cpu time spent up to now is 84.3 secs Computing kpt #: 188 total cpu time spent up to now is 84.8 secs Computing kpt #: 189 total cpu time spent up to now is 85.4 secs Computing kpt #: 190 total cpu time spent up to now is 85.7 secs Computing kpt #: 191 total cpu time spent up to now is 86.1 secs Computing kpt #: 192 total cpu time spent up to now is 86.5 secs Computing kpt #: 193 total cpu time spent up to now is 86.9 secs Computing kpt #: 194 total cpu time spent up to now is 87.3 secs Computing kpt #: 195 total cpu time spent up to now is 87.6 secs Computing kpt #: 196 total cpu time spent up to now is 88.0 secs Computing kpt #: 197 total cpu time spent up to now is 88.3 secs Computing kpt #: 198 total cpu time spent up to now is 88.7 secs Computing kpt #: 199 total cpu time spent up to now is 89.1 secs Computing kpt #: 200 total cpu time spent up to now is 89.4 secs Computing kpt #: 201 total cpu time spent up to now is 89.8 secs Computing kpt #: 202 total cpu time spent up to now is 90.1 secs Computing kpt #: 203 total cpu time spent up to now is 90.5 secs Computing kpt #: 204 total cpu time spent up to now is 90.8 secs Computing kpt #: 205 total cpu time spent up to now is 91.1 secs Computing kpt #: 206 total cpu time spent up to now is 91.5 secs Computing kpt #: 207 total cpu time spent up to now is 91.8 secs Computing kpt #: 208 total cpu time spent up to now is 92.2 secs Computing kpt #: 209 total cpu time spent up to now is 92.6 secs Computing kpt #: 210 total cpu time spent up to now is 92.9 secs Computing kpt #: 211 total cpu time spent up to now is 93.3 secs Computing kpt #: 212 total cpu time spent up to now is 93.7 secs Computing kpt #: 213 total cpu time spent up to now is 94.0 secs Computing kpt #: 214 total cpu time spent up to now is 94.4 secs Computing kpt #: 215 total cpu time spent up to now is 94.8 secs Computing kpt #: 216 total cpu time spent up to now is 95.2 secs Computing kpt #: 217 total cpu time spent up to now is 95.6 secs Computing kpt #: 218 total cpu time spent up to now is 96.0 secs Computing kpt #: 219 total cpu time spent up to now is 96.3 secs Computing kpt #: 220 total cpu time spent up to now is 96.8 secs Computing kpt #: 221 total cpu time spent up to now is 97.2 secs Computing kpt #: 222 total cpu time spent up to now is 97.7 secs Computing kpt #: 223 total cpu time spent up to now is 98.1 secs Computing kpt #: 224 total cpu time spent up to now is 98.5 secs Computing kpt #: 225 total cpu time spent up to now is 98.9 secs Computing kpt #: 226 total cpu time spent up to now is 99.4 secs Computing kpt #: 227 total cpu time spent up to now is 99.7 secs Computing kpt #: 228 total cpu time spent up to now is 100.2 secs Computing kpt #: 229 total cpu time spent up to now is 100.5 secs Computing kpt #: 230 total cpu time spent up to now is 100.9 secs Computing kpt #: 231 total cpu time spent up to now is 101.3 secs Computing kpt #: 232 total cpu time spent up to now is 101.6 secs Computing kpt #: 233 total cpu time spent up to now is 102.0 secs Computing kpt #: 234 total cpu time spent up to now is 102.4 secs Computing kpt #: 235 total cpu time spent up to now is 102.8 secs Computing kpt #: 236 total cpu time spent up to now is 103.2 secs Computing kpt #: 237 total cpu time spent up to now is 103.6 secs Computing kpt #: 238 total cpu time spent up to now is 104.0 secs Computing kpt #: 239 total cpu time spent up to now is 104.4 secs Computing kpt #: 240 total cpu time spent up to now is 104.8 secs Computing kpt #: 241 total cpu time spent up to now is 105.3 secs Computing kpt #: 242 total cpu time spent up to now is 105.7 secs Computing kpt #: 243 total cpu time spent up to now is 106.1 secs Computing kpt #: 244 total cpu time spent up to now is 106.5 secs Computing kpt #: 245 total cpu time spent up to now is 106.9 secs Computing kpt #: 246 total cpu time spent up to now is 107.3 secs Computing kpt #: 247 total cpu time spent up to now is 107.8 secs Computing kpt #: 248 total cpu time spent up to now is 108.2 secs Computing kpt #: 249 total cpu time spent up to now is 108.6 secs Computing kpt #: 250 total cpu time spent up to now is 109.1 secs Computing kpt #: 251 total cpu time spent up to now is 109.5 secs Computing kpt #: 252 total cpu time spent up to now is 109.9 secs Computing kpt #: 253 total cpu time spent up to now is 110.4 secs Computing kpt #: 254 total cpu time spent up to now is 110.9 secs Computing kpt #: 255 total cpu time spent up to now is 111.3 secs Computing kpt #: 256 total cpu time spent up to now is 111.8 secs Computing kpt #: 257 total cpu time spent up to now is 112.2 secs Computing kpt #: 258 total cpu time spent up to now is 112.7 secs Computing kpt #: 259 total cpu time spent up to now is 113.1 secs Computing kpt #: 260 total cpu time spent up to now is 113.6 secs Computing kpt #: 261 total cpu time spent up to now is 114.0 secs Computing kpt #: 262 total cpu time spent up to now is 114.5 secs Computing kpt #: 263 total cpu time spent up to now is 114.9 secs Computing kpt #: 264 total cpu time spent up to now is 115.3 secs Computing kpt #: 265 total cpu time spent up to now is 115.8 secs Computing kpt #: 266 total cpu time spent up to now is 116.2 secs Computing kpt #: 267 total cpu time spent up to now is 116.7 secs Computing kpt #: 268 total cpu time spent up to now is 117.1 secs Computing kpt #: 269 total cpu time spent up to now is 117.5 secs Computing kpt #: 270 total cpu time spent up to now is 118.0 secs Computing kpt #: 271 total cpu time spent up to now is 118.4 secs Computing kpt #: 272 total cpu time spent up to now is 118.9 secs Computing kpt #: 273 total cpu time spent up to now is 119.3 secs Computing kpt #: 274 total cpu time spent up to now is 119.8 secs Computing kpt #: 275 total cpu time spent up to now is 120.3 secs Computing kpt #: 276 total cpu time spent up to now is 120.7 secs Computing kpt #: 277 total cpu time spent up to now is 121.2 secs Computing kpt #: 278 total cpu time spent up to now is 121.7 secs Computing kpt #: 279 total cpu time spent up to now is 122.1 secs Computing kpt #: 280 total cpu time spent up to now is 122.6 secs Computing kpt #: 281 total cpu time spent up to now is 123.0 secs Computing kpt #: 282 total cpu time spent up to now is 123.5 secs Computing kpt #: 283 total cpu time spent up to now is 123.9 secs Computing kpt #: 284 total cpu time spent up to now is 124.4 secs Computing kpt #: 285 total cpu time spent up to now is 124.7 secs Computing kpt #: 286 total cpu time spent up to now is 125.1 secs Computing kpt #: 287 total cpu time spent up to now is 125.4 secs Computing kpt #: 288 total cpu time spent up to now is 125.8 secs Computing kpt #: 289 total cpu time spent up to now is 126.1 secs Computing kpt #: 290 total cpu time spent up to now is 126.4 secs Computing kpt #: 291 total cpu time spent up to now is 126.8 secs Computing kpt #: 292 total cpu time spent up to now is 127.2 secs Computing kpt #: 293 total cpu time spent up to now is 127.5 secs Computing kpt #: 294 total cpu time spent up to now is 127.9 secs Computing kpt #: 295 total cpu time spent up to now is 128.3 secs Computing kpt #: 296 total cpu time spent up to now is 128.7 secs Computing kpt #: 297 total cpu time spent up to now is 129.0 secs Computing kpt #: 298 total cpu time spent up to now is 129.4 secs Computing kpt #: 299 total cpu time spent up to now is 129.8 secs Computing kpt #: 300 total cpu time spent up to now is 130.2 secs Computing kpt #: 301 total cpu time spent up to now is 130.6 secs Computing kpt #: 302 total cpu time spent up to now is 131.0 secs Computing kpt #: 303 total cpu time spent up to now is 131.4 secs Computing kpt #: 304 total cpu time spent up to now is 131.8 secs Computing kpt #: 305 total cpu time spent up to now is 132.2 secs Computing kpt #: 306 total cpu time spent up to now is 132.6 secs Computing kpt #: 307 total cpu time spent up to now is 133.0 secs Computing kpt #: 308 total cpu time spent up to now is 133.4 secs Computing kpt #: 309 total cpu time spent up to now is 133.9 secs Computing kpt #: 310 total cpu time spent up to now is 134.4 secs Computing kpt #: 311 total cpu time spent up to now is 134.8 secs Computing kpt #: 312 total cpu time spent up to now is 135.3 secs Computing kpt #: 313 total cpu time spent up to now is 135.8 secs Computing kpt #: 314 total cpu time spent up to now is 136.3 secs Computing kpt #: 315 total cpu time spent up to now is 136.9 secs Computing kpt #: 316 total cpu time spent up to now is 137.6 secs Computing kpt #: 317 total cpu time spent up to now is 138.0 secs Computing kpt #: 318 total cpu time spent up to now is 138.3 secs Computing kpt #: 319 total cpu time spent up to now is 138.7 secs Computing kpt #: 320 total cpu time spent up to now is 139.1 secs Computing kpt #: 321 total cpu time spent up to now is 139.5 secs Computing kpt #: 322 total cpu time spent up to now is 139.9 secs Computing kpt #: 323 total cpu time spent up to now is 140.2 secs Computing kpt #: 324 total cpu time spent up to now is 140.6 secs Computing kpt #: 325 total cpu time spent up to now is 141.0 secs Computing kpt #: 326 total cpu time spent up to now is 141.4 secs Computing kpt #: 327 total cpu time spent up to now is 141.8 secs Computing kpt #: 328 total cpu time spent up to now is 142.1 secs Computing kpt #: 329 total cpu time spent up to now is 142.5 secs Computing kpt #: 330 total cpu time spent up to now is 142.9 secs Computing kpt #: 331 total cpu time spent up to now is 143.3 secs Computing kpt #: 332 total cpu time spent up to now is 143.7 secs Computing kpt #: 333 total cpu time spent up to now is 144.0 secs Computing kpt #: 334 total cpu time spent up to now is 144.4 secs Computing kpt #: 335 total cpu time spent up to now is 144.8 secs Computing kpt #: 336 total cpu time spent up to now is 145.2 secs Computing kpt #: 337 total cpu time spent up to now is 145.6 secs Computing kpt #: 338 total cpu time spent up to now is 145.9 secs Computing kpt #: 339 total cpu time spent up to now is 146.3 secs Computing kpt #: 340 total cpu time spent up to now is 146.7 secs Computing kpt #: 341 total cpu time spent up to now is 147.1 secs Computing kpt #: 342 total cpu time spent up to now is 147.5 secs Computing kpt #: 343 total cpu time spent up to now is 147.8 secs Computing kpt #: 344 total cpu time spent up to now is 148.2 secs Computing kpt #: 345 total cpu time spent up to now is 148.6 secs Computing kpt #: 346 total cpu time spent up to now is 148.9 secs Computing kpt #: 347 total cpu time spent up to now is 149.3 secs Computing kpt #: 348 total cpu time spent up to now is 149.6 secs ethr = 2.50E-08, avg # of iterations = 19.3 total cpu time spent up to now is 149.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2583 PWs) bands (ev): 0.9280 0.9280 4.9607 4.9607 6.8907 6.8907 8.1786 8.1786 8.1902 8.1902 9.5140 9.5140 9.5449 9.5449 9.5496 9.5496 9.6285 9.6285 9.6410 9.6410 10.1115 10.1115 10.1149 10.1149 11.6990 11.6990 11.7654 11.7654 11.8465 11.8465 12.1659 12.1659 12.1661 12.1661 12.3112 12.3112 12.4336 12.4336 12.4636 12.4636 13.0641 13.0641 13.0909 13.0909 13.8169 13.8169 14.9630 14.9630 k = 0.0111 0.0064-0.0000 ( 2587 PWs) bands (ev): 0.9295 0.9295 4.9607 4.9607 6.8918 6.8918 8.1789 8.1789 8.1906 8.1906 9.4907 9.4907 9.5314 9.5314 9.5830 9.5830 9.6295 9.6295 9.6421 9.6421 10.1105 10.1105 10.1143 10.1143 11.6985 11.6985 11.7648 11.7648 11.8461 11.8461 12.1651 12.1651 12.1659 12.1659 12.3119 12.3119 12.4331 12.4331 12.4630 12.4630 13.0638 13.0638 13.0905 13.0905 13.8162 13.8162 14.9630 14.9630 k = 0.0222 0.0128-0.0000 ( 2591 PWs) bands (ev): 0.9338 0.9338 4.9606 4.9606 6.8950 6.8950 8.1798 8.1798 8.1919 8.1919 9.4477 9.4477 9.5291 9.5291 9.6137 9.6137 9.6344 9.6344 9.6483 9.6483 10.1061 10.1061 10.1138 10.1138 11.6971 11.6971 11.7631 11.7631 11.8447 11.8447 12.1628 12.1628 12.1653 12.1653 12.3137 12.3137 12.4318 12.4318 12.4613 12.4613 13.0628 13.0628 13.0893 13.0893 13.8141 13.8141 14.9624 14.9624 k = 0.0333 0.0192-0.0000 ( 2581 PWs) bands (ev): 0.9411 0.9411 4.9605 4.9605 6.9005 6.9005 8.1809 8.1809 8.1948 8.1948 9.4008 9.4008 9.5280 9.5280 9.6226 9.6226 9.6437 9.6437 9.6729 9.6729 10.0984 10.0984 10.1141 10.1141 11.6947 11.6947 11.7604 11.7604 11.8424 11.8424 12.1590 12.1590 12.1644 12.1644 12.3166 12.3166 12.4296 12.4296 12.4588 12.4588 13.0612 13.0612 13.0876 13.0876 13.8105 13.8105 14.9601 14.9601 k = 0.0444 0.0257-0.0000 ( 2581 PWs) bands (ev): 0.9512 0.9512 4.9603 4.9603 6.9081 6.9081 8.1816 8.1816 8.1994 8.1994 9.3513 9.3513 9.5269 9.5269 9.6225 9.6225 9.6520 9.6520 9.7073 9.7073 10.0876 10.0876 10.1147 10.1147 11.6914 11.6914 11.7568 11.7568 11.8390 11.8390 12.1542 12.1542 12.1629 12.1629 12.3199 12.3199 12.4262 12.4262 12.4554 12.4554 13.0589 13.0589 13.0852 13.0852 13.8056 13.8056 14.9535 14.9535 k = 0.0556 0.0321-0.0000 ( 2583 PWs) bands (ev): 0.9642 0.9642 4.9599 4.9599 6.9179 6.9179 8.1816 8.1816 8.2058 8.2058 9.2996 9.2996 9.5260 9.5260 9.6202 9.6202 9.6615 9.6615 9.7422 9.7422 10.0743 10.0743 10.1153 10.1153 11.6871 11.6871 11.7522 11.7522 11.8347 11.8347 12.1486 12.1486 12.1610 12.1610 12.3234 12.3234 12.4215 12.4215 12.4514 12.4514 13.0561 13.0561 13.0822 13.0822 13.7992 13.7992 14.9376 14.9376 k = 0.0667 0.0385-0.0000 ( 2583 PWs) bands (ev): 0.9801 0.9801 4.9594 4.9594 6.9298 6.9298 8.1811 8.1811 8.2141 8.2141 9.2459 9.2459 9.5254 9.5254 9.6168 9.6168 9.6726 9.6726 9.7760 9.7760 10.0591 10.0591 10.1162 10.1162 11.6819 11.6819 11.7468 11.7468 11.8293 11.8293 12.1424 12.1424 12.1583 12.1583 12.3267 12.3267 12.4154 12.4154 12.4472 12.4472 13.0528 13.0528 13.0787 13.0787 13.7916 13.7916 14.9046 14.9046 k = 0.0778 0.0449-0.0000 ( 2585 PWs) bands (ev): 0.9989 0.9989 4.9587 4.9587 6.9439 6.9439 8.1799 8.1799 8.2241 8.2241 9.1902 9.1902 9.5252 9.5252 9.6124 9.6124 9.6851 9.6851 9.8082 9.8082 10.0426 10.0426 10.1172 10.1172 11.6757 11.6757 11.7408 11.7408 11.8228 11.8228 12.1358 12.1358 12.1550 12.1550 12.3294 12.3294 12.4078 12.4078 12.4428 12.4428 13.0491 13.0491 13.0749 13.0749 13.7826 13.7826 14.8461 14.8461 k = 0.0889 0.0513-0.0000 ( 2593 PWs) bands (ev): 1.0205 1.0205 4.9577 4.9577 6.9601 6.9601 8.1779 8.1779 8.2357 8.2357 9.1326 9.1326 9.5255 9.5255 9.6072 9.6072 9.6990 9.6990 9.8384 9.8384 10.0256 10.0256 10.1183 10.1183 11.6683 11.6683 11.7341 11.7341 11.8153 11.8153 12.1288 12.1288 12.1505 12.1505 12.3314 12.3314 12.3988 12.3988 12.4382 12.4382 13.0450 13.0450 13.0708 13.0708 13.7725 13.7725 14.7613 14.7613 k = 0.1000 0.0577-0.0000 ( 2595 PWs) bands (ev): 1.0449 1.0449 4.9564 4.9564 6.9784 6.9784 8.1747 8.1747 8.2489 8.2489 9.0733 9.0733 9.5263 9.5263 9.6013 9.6013 9.7143 9.7143 9.8657 9.8657 10.0096 10.0096 10.1197 10.1197 11.6600 11.6600 11.7269 11.7269 11.8065 11.8065 12.1214 12.1214 12.1452 12.1452 12.3325 12.3325 12.3887 12.3887 12.4333 12.4333 13.0407 13.0407 13.0665 13.0665 13.7611 13.7611 14.6578 14.6578 k = 0.1111 0.0642-0.0000 ( 2583 PWs) bands (ev): 1.0722 1.0722 4.9548 4.9548 6.9988 6.9988 8.1702 8.1702 8.2639 8.2639 9.0127 9.0127 9.5279 9.5279 9.5947 9.5947 9.7307 9.7307 9.8882 9.8882 9.9973 9.9973 10.1212 10.1212 11.6506 11.6506 11.7193 11.7193 11.7967 11.7967 12.1133 12.1133 12.1389 12.1389 12.3327 12.3327 12.3779 12.3779 12.4279 12.4279 13.0364 13.0364 13.0621 13.0621 13.7487 13.7487 14.5443 14.5443 k = 0.1222 0.0706-0.0000 ( 2579 PWs) bands (ev): 1.1023 1.1023 4.9526 4.9526 7.0213 7.0213 8.1638 8.1638 8.2802 8.2802 8.9512 8.9512 9.5300 9.5300 9.5874 9.5874 9.7482 9.7482 9.9017 9.9017 9.9930 9.9930 10.1229 10.1229 11.6402 11.6402 11.7113 11.7113 11.7858 11.7858 12.1043 12.1043 12.1316 12.1316 12.3318 12.3318 12.3665 12.3665 12.4218 12.4218 13.0320 13.0320 13.0578 13.0578 13.7350 13.7350 14.4262 14.4262 k = 0.1333 0.0770-0.0000 ( 2581 PWs) bands (ev): 1.1351 1.1351 4.9499 4.9499 7.0457 7.0457 8.1548 8.1548 8.2979 8.2979 8.8894 8.8894 9.5327 9.5327 9.5797 9.5797 9.7666 9.7666 9.9023 9.9023 10.0010 10.0010 10.1246 10.1246 11.6287 11.6287 11.7029 11.7029 11.7736 11.7736 12.0939 12.0939 12.1234 12.1234 12.3299 12.3299 12.3549 12.3549 12.4149 12.4149 13.0276 13.0276 13.0534 13.0534 13.7199 13.7199 14.3069 14.3069 k = 0.1444 0.0834-0.0000 ( 2577 PWs) bands (ev): 1.1707 1.1707 4.9465 4.9465 7.0723 7.0723 8.1424 8.1424 8.3172 8.3172 8.8283 8.8283 9.5361 9.5361 9.5714 9.5714 9.7861 9.7861 9.8934 9.8934 10.0186 10.0186 10.1265 10.1265 11.6162 11.6162 11.6942 11.6942 11.7604 11.7604 12.0816 12.0816 12.1146 12.1146 12.3268 12.3268 12.3438 12.3438 12.4071 12.4071 13.0234 13.0234 13.0492 13.0492 13.7034 13.7034 14.1886 14.1886 k = 0.1556 0.0898-0.0000 ( 2575 PWs) bands (ev): 1.2090 1.2090 4.9423 4.9423 7.1007 7.1007 8.1257 8.1257 8.3378 8.3378 8.7690 8.7690 9.5399 9.5399 9.5628 9.5628 9.8064 9.8064 9.8805 9.8805 10.0405 10.0405 10.1285 10.1285 11.6028 11.6028 11.6850 11.6850 11.7459 11.7459 12.0671 12.0671 12.1054 12.1054 12.3217 12.3217 12.3341 12.3341 12.3982 12.3982 13.0193 13.0193 13.0452 13.0452 13.6848 13.6848 14.0730 14.0730 k = 0.1667 0.0962-0.0000 ( 2576 PWs) bands (ev): 1.2500 1.2500 4.9372 4.9372 7.1311 7.1311 8.1032 8.1032 8.3599 8.3599 8.7132 8.7132 9.5442 9.5442 9.5539 9.5539 9.8275 9.8275 9.8665 9.8665 10.0640 10.0640 10.1307 10.1307 11.5884 11.5884 11.6753 11.6753 11.7304 11.7304 12.0500 12.0500 12.0957 12.0957 12.3136 12.3136 12.3270 12.3270 12.3883 12.3883 13.0154 13.0154 13.0414 13.0414 13.6630 13.6630 13.9620 13.9620 k = 0.1778 0.1026-0.0000 ( 2574 PWs) bands (ev): 1.2937 1.2937 4.9311 4.9311 7.1635 7.1635 8.0737 8.0737 8.3834 8.3834 8.6625 8.6625 9.5434 9.5434 9.5504 9.5504 9.8461 9.8461 9.8561 9.8561 10.0880 10.0880 10.1330 10.1330 11.5732 11.5732 11.6649 11.6649 11.7138 11.7138 12.0305 12.0305 12.0855 12.0855 12.3034 12.3034 12.3218 12.3218 12.3774 12.3774 13.0117 13.0117 13.0378 13.0378 13.6351 13.6351 13.8592 13.8592 k = 0.1889 0.1091-0.0000 ( 2578 PWs) bands (ev): 1.3400 1.3400 4.9237 4.9237 7.1976 7.1976 8.0359 8.0359 8.4081 8.4081 8.6183 8.6183 9.5342 9.5342 9.5554 9.5554 9.8378 9.8378 9.8740 9.8740 10.1120 10.1120 10.1355 10.1355 11.5571 11.5571 11.6537 11.6537 11.6963 11.6963 12.0085 12.0085 12.0745 12.0745 12.2927 12.2927 12.3170 12.3170 12.3657 12.3657 13.0080 13.0080 13.0346 13.0346 13.5950 13.5950 13.7714 13.7714 k = 0.2000 0.1155-0.0000 ( 2580 PWs) bands (ev): 1.3889 1.3889 4.9151 4.9151 7.2336 7.2336 7.9892 7.9892 8.4342 8.4342 8.5819 8.5819 9.5243 9.5243 9.5612 9.5612 9.8259 9.8259 9.8973 9.8973 10.1341 10.1341 10.1399 10.1399 11.5403 11.5403 11.6413 11.6413 11.6782 11.6782 11.9845 11.9845 12.0626 12.0626 12.2819 12.2819 12.3120 12.3120 12.3535 12.3535 13.0043 13.0043 13.0317 13.0317 13.5342 13.5342 13.7075 13.7075 k = 0.2111 0.1219-0.0000 ( 2578 PWs) bands (ev): 1.4403 1.4403 4.9049 4.9049 7.2713 7.2713 7.9337 7.9337 8.4614 8.4614 8.5537 8.5537 9.5141 9.5141 9.5673 9.5673 9.8149 9.8149 9.9216 9.9216 10.1400 10.1400 10.1606 10.1606 11.5229 11.5229 11.6274 11.6274 11.6598 11.6598 11.9585 11.9585 12.0498 12.0498 12.2712 12.2712 12.3067 12.3067 12.3410 12.3410 13.0003 13.0003 13.0291 13.0291 13.4550 13.4550 13.6659 13.6659 k = 0.2222 0.1283-0.0000 ( 2578 PWs) bands (ev): 1.4943 1.4943 4.8930 4.8930 7.3106 7.3106 7.8702 7.8702 8.4897 8.4897 8.5334 8.5334 9.5033 9.5033 9.5737 9.5737 9.8050 9.8050 9.9467 9.9467 10.1431 10.1431 10.1840 10.1840 11.5048 11.5048 11.6112 11.6112 11.6415 11.6415 11.9310 11.9310 12.0358 12.0358 12.2605 12.2605 12.3003 12.3003 12.3290 12.3290 12.9958 12.9958 13.0268 13.0268 13.3684 13.3684 13.6363 13.6363 k = 0.2333 0.1347-0.0000 ( 2570 PWs) bands (ev): 1.5506 1.5506 4.8793 4.8793 7.3516 7.3516 7.8002 7.8002 8.5150 8.5150 8.5245 8.5245 9.4917 9.4917 9.5804 9.5804 9.7963 9.7963 9.9724 9.9724 10.1463 10.1463 10.2074 10.2074 11.4861 11.4861 11.5925 11.5925 11.6236 11.6236 11.9021 11.9021 12.0209 12.0209 12.2500 12.2500 12.2918 12.2918 12.3185 12.3185 12.9900 12.9900 13.0249 13.0249 13.2824 13.2824 13.6117 13.6117 k = 0.2444 0.1411-0.0000 ( 2562 PWs) bands (ev): 1.6094 1.6094 4.8635 4.8635 7.3938 7.3938 7.7253 7.7253 8.5115 8.5115 8.5515 8.5515 9.4793 9.4793 9.5869 9.5869 9.7887 9.7887 9.9986 9.9986 10.1497 10.1497 10.2307 10.2307 11.4670 11.4670 11.5714 11.5714 11.6059 11.6059 11.8721 11.8721 12.0050 12.0050 12.2395 12.2395 12.2804 12.2804 12.3105 12.3105 12.9812 12.9812 13.0232 13.0232 13.2017 13.2017 13.5838 13.5838 k = 0.2556 0.1475-0.0000 ( 2562 PWs) bands (ev): 1.6705 1.6705 4.8455 4.8455 7.4369 7.4369 7.6476 7.6476 8.5096 8.5096 8.5831 8.5831 9.4658 9.4658 9.5934 9.5934 9.7819 9.7819 10.0251 10.0251 10.1532 10.1532 10.2538 10.2538 11.4473 11.4473 11.5483 11.5483 11.5880 11.5880 11.8412 11.8412 11.9881 11.9881 12.2288 12.2288 12.2664 12.2664 12.3047 12.3047 12.9659 12.9659 13.0216 13.0216 13.1316 13.1316 13.4973 13.4973 k = 0.2667 0.1540-0.0000 ( 2560 PWs) bands (ev): 1.7338 1.7338 4.8250 4.8250 7.4778 7.4778 7.5713 7.5713 8.5120 8.5120 8.6159 8.6159 9.4511 9.4511 9.5995 9.5995 9.7759 9.7759 10.0520 10.0520 10.1571 10.1571 10.2768 10.2768 11.4272 11.4272 11.5238 11.5238 11.5693 11.5693 11.8098 11.8098 11.9705 11.9705 12.2181 12.2181 12.2508 12.2508 12.3002 12.3002 12.9373 12.9373 13.0201 13.0201 13.0798 13.0798 13.4071 13.4071 k = 0.2778 0.1604-0.0000 ( 2562 PWs) bands (ev): 1.7993 1.7993 4.8019 4.8019 7.4691 7.4691 7.5447 7.5447 8.5182 8.5182 8.6497 8.6497 9.4350 9.4350 9.6052 9.6052 9.7704 9.7704 10.0791 10.0791 10.1610 10.1610 10.2997 10.2997 11.4067 11.4067 11.4981 11.4981 11.5497 11.5497 11.7780 11.7780 11.9522 11.9522 12.2071 12.2071 12.2343 12.2343 12.2965 12.2965 12.8921 12.8921 13.0184 13.0184 13.0505 13.0505 13.3192 13.3192 k = 0.2889 0.1668-0.0000 ( 2564 PWs) bands (ev): 1.8669 1.8669 4.7759 4.7759 7.3939 7.3939 7.5859 7.5859 8.5280 8.5280 8.6844 8.6844 9.4173 9.4173 9.6103 9.6103 9.7649 9.7649 10.1064 10.1064 10.1655 10.1655 10.3224 10.3224 11.3859 11.3859 11.4718 11.4718 11.5289 11.5289 11.7461 11.7461 11.9331 11.9331 12.1955 12.1955 12.2175 12.2175 12.2934 12.2934 12.8377 12.8377 13.0164 13.0164 13.0363 13.0363 13.2340 13.2340 k = 0.3000 0.1732-0.0000 ( 2568 PWs) bands (ev): 1.9365 1.9365 4.7468 4.7468 7.3137 7.3137 7.6341 7.6341 8.5410 8.5410 8.7199 8.7199 9.3982 9.3982 9.6147 9.6147 9.7589 9.7589 10.1335 10.1335 10.1705 10.1705 10.3450 10.3450 11.3648 11.3648 11.4453 11.4453 11.5071 11.5071 11.7144 11.7144 11.9137 11.9137 12.1825 12.1825 12.2012 12.2012 12.2905 12.2905 12.7824 12.7824 13.0135 13.0135 13.0292 13.0292 13.1524 13.1524 k = 0.3111 0.1796-0.0000 ( 2570 PWs) bands (ev): 2.0080 2.0080 4.7146 4.7146 7.2341 7.2341 7.6843 7.6843 8.5571 8.5571 8.7561 8.7561 9.3773 9.3773 9.6181 9.6181 9.7522 9.7522 10.1599 10.1599 10.1766 10.1766 10.3674 10.3674 11.3436 11.3436 11.4188 11.4188 11.4844 11.4844 11.6830 11.6830 11.8938 11.8938 12.1670 12.1670 12.1867 12.1867 12.2883 12.2883 12.7301 12.7301 13.0071 13.0071 13.0243 13.0243 13.0784 13.0784 k = 0.3222 0.1860-0.0000 ( 2570 PWs) bands (ev): 2.0812 2.0812 4.6789 4.6789 7.1564 7.1564 7.7358 7.7358 8.5761 8.5761 8.7930 8.7930 9.3547 9.3547 9.6204 9.6204 9.7441 9.7441 10.1784 10.1784 10.1909 10.1909 10.3896 10.3896 11.3224 11.3224 11.3930 11.3930 11.4609 11.4609 11.6524 11.6524 11.8735 11.8735 12.1484 12.1484 12.1744 12.1744 12.2865 12.2865 12.6825 12.6825 12.9728 12.9728 13.0185 13.0185 13.0380 13.0380 k = 0.3333 0.1925-0.0000 ( 2570 PWs) bands (ev): 2.1561 2.1561 4.6398 4.6398 7.0815 7.0815 7.7883 7.7883 8.5979 8.5979 8.8304 8.8304 9.3304 9.3304 9.6214 9.6214 9.7342 9.7342 10.1860 10.1860 10.2160 10.2160 10.4115 10.4115 11.3013 11.3013 11.3682 11.3682 11.4370 11.4370 11.6227 11.6227 11.8530 11.8530 12.1274 12.1274 12.1635 12.1635 12.2852 12.2852 12.6402 12.6402 12.9058 12.9058 13.0156 13.0156 13.0316 13.0316 k = 0.3444 0.1989-0.0000 ( 2578 PWs) bands (ev): 2.2324 2.2324 4.5971 4.5971 7.0098 7.0098 7.8416 7.8416 8.6223 8.6223 8.8682 8.8682 9.3044 9.3044 9.6208 9.6208 9.7219 9.7219 10.1929 10.1929 10.2417 10.2417 10.4330 10.4330 11.2803 11.2803 11.3449 11.3449 11.4130 11.4130 11.5942 11.5942 11.8324 11.8324 12.1045 12.1045 12.1533 12.1533 12.2846 12.2846 12.6034 12.6034 12.8356 12.8356 13.0146 13.0146 13.0305 13.0305 k = 0.3556 0.2053-0.0000 ( 2578 PWs) bands (ev): 2.3100 2.3100 4.5509 4.5509 6.9420 6.9420 7.8955 7.8955 8.6493 8.6493 8.9064 8.9064 9.2767 9.2767 9.6186 9.6186 9.7068 9.7068 10.2002 10.2002 10.2669 10.2669 10.4541 10.4541 11.2598 11.2598 11.3236 11.3236 11.3893 11.3893 11.5670 11.5670 11.8121 11.8121 12.0799 12.0799 12.1439 12.1439 12.2847 12.2847 12.5720 12.5720 12.7672 12.7672 13.0146 13.0146 13.0306 13.0306 k = 0.3667 0.2117-0.0000 ( 2578 PWs) bands (ev): 2.3887 2.3887 4.5012 4.5012 6.8784 6.8784 7.9499 7.9499 8.6788 8.6788 8.9448 8.9448 9.2474 9.2474 9.6144 9.6144 9.6887 9.6887 10.2078 10.2078 10.2912 10.2912 10.4745 10.4745 11.2398 11.2398 11.3044 11.3044 11.3664 11.3664 11.5415 11.5415 11.7922 11.7922 12.0537 12.0537 12.1349 12.1349 12.2855 12.2855 12.5457 12.5457 12.7019 12.7019 13.0153 13.0153 13.0312 13.0312 k = 0.3778 0.2181-0.0000 ( 2582 PWs) bands (ev): 2.4682 2.4682 4.4481 4.4481 6.8194 6.8194 8.0044 8.0044 8.7106 8.7106 8.9832 8.9832 9.2166 9.2166 9.6082 9.6082 9.6672 9.6672 10.2157 10.2157 10.3143 10.3143 10.4942 10.4942 11.2204 11.2204 11.2876 11.2876 11.3446 11.3446 11.5177 11.5177 11.7731 11.7731 12.0259 12.0259 12.1265 12.1265 12.2870 12.2870 12.5239 12.5239 12.6400 12.6400 13.0164 13.0164 13.0321 13.0321 k = 0.3889 0.2245-0.0000 ( 2582 PWs) bands (ev): 2.5481 2.5481 4.3919 4.3919 6.7652 6.7652 8.0589 8.0589 8.7446 8.7446 9.0217 9.0217 9.1844 9.1844 9.5997 9.5997 9.6425 9.6425 10.2240 10.2240 10.3360 10.3360 10.5129 10.5129 11.2020 11.2020 11.2730 11.2730 11.3249 11.3249 11.4961 11.4961 11.7550 11.7550 11.9967 11.9967 12.1186 12.1186 12.2893 12.2893 12.5059 12.5059 12.5823 12.5823 13.0182 13.0182 13.0332 13.0332 k = 0.4000 0.2309-0.0000 ( 2586 PWs) bands (ev): 2.6281 2.6281 4.3331 4.3331 6.7159 6.7159 8.1130 8.1130 8.7806 8.7806 9.0598 9.0598 9.1511 9.1511 9.5882 9.5882 9.6152 9.6152 10.2325 10.2325 10.3562 10.3562 10.5305 10.5305 11.1847 11.1847 11.2601 11.2601 11.3078 11.3078 11.4767 11.4767 11.7385 11.7385 11.9666 11.9666 12.1114 12.1114 12.2919 12.2919 12.4903 12.4903 12.5298 12.5298 13.0203 13.0203 13.0345 13.0345 k = 0.4111 0.2374-0.0000 ( 2586 PWs) bands (ev): 2.7077 2.7077 4.2721 4.2721 6.6719 6.6719 8.1665 8.1665 8.8184 8.8184 9.0969 9.0969 9.1176 9.1176 9.5707 9.5707 9.5884 9.5884 10.2409 10.2409 10.3745 10.3745 10.5469 10.5469 11.1687 11.1687 11.2484 11.2484 11.2943 11.2943 11.4598 11.4598 11.7237 11.7237 11.9358 11.9358 12.1047 12.1047 12.2947 12.2947 12.4687 12.4687 12.4910 12.4910 13.0229 13.0229 13.0360 13.0360 k = 0.4222 0.2438-0.0000 ( 2582 PWs) bands (ev): 2.7861 2.7861 4.2097 4.2097 6.6330 6.6330 8.2187 8.2187 8.8574 8.8574 9.0815 9.0815 9.1357 9.1357 9.5414 9.5414 9.5683 9.5683 10.2493 10.2493 10.3910 10.3910 10.5618 10.5618 11.1540 11.1540 11.2371 11.2371 11.2850 11.2850 11.4455 11.4455 11.7111 11.7111 11.9049 11.9049 12.0987 12.0987 12.2974 12.2974 12.4300 12.4300 12.4772 12.4772 13.0257 13.0257 13.0378 13.0378 k = 0.4333 0.2502-0.0000 ( 2594 PWs) bands (ev): 2.8624 2.8624 4.1469 4.1469 6.5994 6.5994 8.2692 8.2692 8.8970 8.8970 9.0475 9.0475 9.1720 9.1720 9.5053 9.5053 9.5505 9.5505 10.2572 10.2572 10.4052 10.4052 10.5749 10.5749 11.1409 11.1409 11.2259 11.2259 11.2797 11.2797 11.4338 11.4338 11.7010 11.7010 11.8743 11.8743 12.0933 12.0933 12.2991 12.2991 12.3923 12.3923 12.4700 12.4700 13.0284 13.0284 13.0401 13.0401 k = 0.4444 0.2566-0.0000 ( 2598 PWs) bands (ev): 2.9353 2.9353 4.0852 4.0852 6.5710 6.5710 8.3170 8.3170 8.9345 8.9345 9.0167 9.0167 9.2073 9.2073 9.4664 9.4664 9.5318 9.5318 10.2645 10.2645 10.4173 10.4173 10.5865 10.5865 11.1294 11.1294 11.2154 11.2154 11.2776 11.2776 11.4247 11.4247 11.6938 11.6938 11.8446 11.8446 12.0886 12.0886 12.2987 12.2987 12.3615 12.3615 12.4653 12.4653 13.0308 13.0308 13.0431 13.0431 k = 0.4556 0.2630-0.0000 ( 2598 PWs) bands (ev): 3.0029 3.0029 4.0266 4.0266 6.5479 6.5479 8.3611 8.3611 8.9538 8.9538 9.0057 9.0057 9.2410 9.2410 9.4264 9.4264 9.5120 9.5120 10.2709 10.2709 10.4272 10.4272 10.5961 10.5961 11.1199 11.1199 11.2063 11.2063 11.2774 11.2774 11.4181 11.4181 11.6898 11.6898 11.8166 11.8166 12.0845 12.0845 12.2939 12.2939 12.3403 12.3403 12.4622 12.4622 13.0326 13.0326 13.0470 13.0470 k = 0.4667 0.2694-0.0000 ( 2598 PWs) bands (ev): 3.0626 3.0626 3.9739 3.9739 6.5300 6.5300 8.3997 8.3997 8.9368 8.9368 9.0330 9.0330 9.2723 9.2723 9.3870 9.3870 9.4916 9.4916 10.2762 10.2762 10.4348 10.4348 10.6037 10.6037 11.1123 11.1123 11.1989 11.1989 11.2782 11.2782 11.4136 11.4136 11.6891 11.6891 11.7911 11.7911 12.0813 12.0813 12.2834 12.2834 12.3303 12.3303 12.4602 12.4602 13.0339 13.0339 13.0514 13.0514 k = 0.4778 0.2758-0.0000 ( 2594 PWs) bands (ev): 3.1105 3.1105 3.9308 3.9308 6.5172 6.5172 8.4305 8.4305 8.9147 8.9147 9.0671 9.0671 9.2996 9.2996 9.3511 9.3511 9.4718 9.4718 10.2802 10.2802 10.4402 10.4402 10.6093 10.6093 11.1067 11.1067 11.1935 11.1935 11.2794 11.2794 11.4110 11.4110 11.6916 11.6916 11.7692 11.7692 12.0789 12.0789 12.2719 12.2719 12.3270 12.3270 12.4591 12.4591 13.0347 13.0347 13.0555 13.0555 k = 0.4889 0.2823-0.0000 ( 2594 PWs) bands (ev): 3.1421 3.1421 3.9021 3.9021 6.5095 6.5095 8.4509 8.4509 8.8990 8.8990 9.0943 9.0943 9.3158 9.3158 9.3278 9.3278 9.4558 9.4558 10.2828 10.2828 10.4434 10.4434 10.6127 10.6127 11.1034 11.1034 11.1902 11.1902 11.2802 11.2802 11.4097 11.4097 11.6959 11.6959 11.7528 11.7528 12.0774 12.0774 12.2639 12.2639 12.3261 12.3261 12.4585 12.4585 13.0351 13.0351 13.0586 13.0586 k = 0.5000 0.2887-0.0000 ( 2594 PWs) bands (ev): 3.1532 3.1532 3.8919 3.8919 6.5070 6.5070 8.4580 8.4580 8.8933 8.8933 9.1052 9.1052 9.3096 9.3096 9.3311 9.3311 9.4492 9.4492 10.2836 10.2836 10.4445 10.4445 10.6138 10.6138 11.1023 11.1023 11.1891 11.1891 11.2805 11.2805 11.4093 11.4093 11.6984 11.6984 11.7463 11.7463 12.0769 12.0769 12.2611 12.2611 12.3260 12.3260 12.4583 12.4583 13.0352 13.0352 13.0597 13.0598 k = 0.5000 0.2887-0.0000 ( 2594 PWs) bands (ev): 3.1532 3.1532 3.8919 3.8919 6.5070 6.5070 8.4580 8.4580 8.8933 8.8933 9.1052 9.1052 9.3096 9.3096 9.3311 9.3311 9.4492 9.4492 10.2836 10.2836 10.4445 10.4445 10.6138 10.6138 11.1023 11.1023 11.1891 11.1891 11.2805 11.2805 11.4093 11.4093 11.6984 11.6984 11.7463 11.7463 12.0769 12.0769 12.2611 12.2611 12.3260 12.3260 12.4583 12.4583 13.0352 13.0352 13.0597 13.0598 k = 0.4936 0.2998-0.0000 ( 2590 PWs) bands (ev): 3.1542 3.1542 3.8924 3.8924 6.5074 6.5074 8.4592 8.4592 8.8935 8.8935 9.0804 9.0804 9.2896 9.2896 9.3510 9.3510 9.4717 9.4717 10.2845 10.2845 10.4405 10.4405 10.6157 10.6157 11.1027 11.1027 11.1897 11.1897 11.2804 11.2804 11.4080 11.4080 11.6987 11.6987 11.7460 11.7460 12.0771 12.0771 12.2608 12.2608 12.3262 12.3262 12.4576 12.4576 13.0185 13.0185 13.0771 13.0771 k = 0.4872 0.3109-0.0000 ( 2590 PWs) bands (ev): 3.1572 3.1572 3.8939 3.8939 6.5086 6.5086 8.4628 8.4628 8.8940 8.8940 9.0232 9.0232 9.2439 9.2439 9.3998 9.3998 9.5187 9.5187 10.2869 10.2869 10.4289 10.4289 10.6211 10.6211 11.1040 11.1040 11.1916 11.1916 11.2800 11.2800 11.4042 11.4042 11.6996 11.6996 11.7451 11.7451 12.0777 12.0777 12.2599 12.2599 12.3267 12.3267 12.4555 12.4555 12.9942 12.9942 13.1033 13.1033 k = 0.4808 0.3220-0.0000 ( 2594 PWs) bands (ev): 3.1623 3.1623 3.8964 3.8964 6.5104 6.5104 8.4688 8.4688 8.8947 8.8947 8.9526 8.9526 9.1911 9.1911 9.4574 9.4574 9.5729 9.5729 10.2909 10.2909 10.4111 10.4111 10.6289 10.6289 11.1059 11.1059 11.1945 11.1945 11.2793 11.2793 11.3982 11.3982 11.7011 11.7011 11.7437 11.7437 12.0785 12.0785 12.2585 12.2585 12.3276 12.3276 12.4519 12.4519 12.9697 12.9697 13.1305 13.1305 k = 0.4744 0.3331-0.0000 ( 2590 PWs) bands (ev): 3.1693 3.1693 3.8998 3.8998 6.5129 6.5129 8.4772 8.4772 8.8740 8.8740 8.8975 8.8975 9.1364 9.1364 9.5162 9.5162 9.6294 9.6294 10.2967 10.2967 10.3883 10.3883 10.6380 10.6380 11.1086 11.1086 11.1983 11.1983 11.2782 11.2782 11.3902 11.3902 11.7032 11.7032 11.7418 11.7418 12.0797 12.0797 12.2564 12.2564 12.3289 12.3289 12.4470 12.4470 12.9458 12.9458 13.1554 13.1554 k = 0.4679 0.3442-0.0000 ( 2590 PWs) bands (ev): 3.1783 3.1783 3.9041 3.9041 6.5159 6.5159 8.4878 8.4878 8.7951 8.7951 8.8975 8.8975 9.0819 9.0819 9.5733 9.5733 9.6867 9.6867 10.3041 10.3041 10.3617 10.3617 10.6478 10.6478 11.1117 11.1117 11.2029 11.2029 11.2763 11.2763 11.3808 11.3808 11.7057 11.7057 11.7394 11.7394 12.0811 12.0811 12.2539 12.2539 12.3306 12.3306 12.4408 12.4408 12.9225 12.9225 13.1631 13.1631 k = 0.4615 0.3553-0.0000 ( 2586 PWs) bands (ev): 3.1894 3.1894 3.9091 3.9091 6.5191 6.5191 8.5007 8.5007 8.7143 8.7143 8.8971 8.8971 9.0292 9.0292 9.6274 9.6274 9.7443 9.7443 10.3129 10.3129 10.3325 10.3325 10.6578 10.6578 11.1153 11.1153 11.2078 11.2078 11.2734 11.2734 11.3706 11.3706 11.7087 11.7087 11.7366 11.7366 12.0826 12.0826 12.2509 12.2509 12.3325 12.3325 12.4330 12.4330 12.8998 12.8998 13.1637 13.1637 k = 0.4551 0.3664-0.0000 ( 2588 PWs) bands (ev): 3.2024 3.2024 3.9148 3.9148 6.5225 6.5225 8.5152 8.5152 8.6337 8.6337 8.8922 8.8922 8.9819 8.9819 9.6777 9.6777 9.8014 9.8014 10.3002 10.3002 10.3240 10.3240 10.6678 10.6678 11.1192 11.1192 11.2127 11.2127 11.2690 11.2690 11.3604 11.3604 11.7119 11.7119 11.7334 11.7334 12.0841 12.0841 12.2477 12.2477 12.3345 12.3345 12.4244 12.4244 12.8777 12.8777 13.1635 13.1635 k = 0.4487 0.3775-0.0000 ( 2580 PWs) bands (ev): 3.2173 3.2173 3.9211 3.9211 6.5255 6.5255 8.5256 8.5256 8.5605 8.5605 8.8730 8.8730 8.9499 8.9499 9.7233 9.7233 9.8578 9.8578 10.2675 10.2675 10.3362 10.3362 10.6778 10.6778 11.1231 11.1231 11.2170 11.2170 11.2631 11.2631 11.3514 11.3514 11.7152 11.7152 11.7300 11.7300 12.0856 12.0856 12.2445 12.2445 12.3366 12.3366 12.4149 12.4149 12.8564 12.8564 13.1630 13.1630 k = 0.4423 0.3886-0.0000 ( 2580 PWs) bands (ev): 3.2342 3.2342 3.9276 3.9276 6.5280 6.5280 8.4691 8.4691 8.5581 8.5581 8.8337 8.8337 8.9392 8.9392 9.7632 9.7632 9.9134 9.9134 10.2345 10.2345 10.3500 10.3500 10.6875 10.6875 11.1272 11.1272 11.2195 11.2195 11.2558 11.2558 11.3442 11.3442 11.7179 11.7179 11.7270 11.7270 12.0867 12.0867 12.2415 12.2415 12.3379 12.3379 12.4050 12.4050 12.8354 12.8354 13.1624 13.1624 k = 0.4359 0.3997-0.0000 ( 2576 PWs) bands (ev): 3.2529 3.2529 3.9342 3.9342 6.5295 6.5295 8.3943 8.3943 8.5789 8.5789 8.7854 8.7854 8.9390 8.9390 9.7962 9.7962 9.9678 9.9678 10.2029 10.2029 10.3652 10.3652 10.6970 10.6970 11.1311 11.1311 11.2181 11.2181 11.2494 11.2494 11.3393 11.3393 11.7180 11.7180 11.7265 11.7265 12.0874 12.0874 12.2392 12.2392 12.3375 12.3375 12.3959 12.3959 12.8149 12.8149 13.1618 13.1618 k = 0.4295 0.4108-0.0000 ( 2576 PWs) bands (ev): 3.2735 3.2735 3.9408 3.9408 6.5297 6.5297 8.3222 8.3222 8.6030 8.6030 8.7346 8.7346 8.9426 8.9426 9.8204 9.8204 10.0208 10.0208 10.1747 10.1747 10.3820 10.3820 10.7061 10.7061 11.1347 11.1347 11.2100 11.2100 11.2467 11.2467 11.3366 11.3366 11.7146 11.7146 11.7288 11.7288 12.0876 12.0876 12.2378 12.2378 12.3339 12.3339 12.3891 12.3891 12.7948 12.7948 13.1611 13.1611 k = 0.4231 0.4219-0.0000 ( 2578 PWs) bands (ev): 3.2960 3.2960 3.9470 3.9470 6.5281 6.5281 8.2544 8.2544 8.6293 8.6293 8.6836 8.6836 8.9480 8.9480 9.8333 9.8333 10.0721 10.0721 10.1530 10.1530 10.4000 10.4000 10.7147 10.7147 11.1380 11.1380 11.1966 11.1966 11.2469 11.2469 11.3358 11.3358 11.7100 11.7100 11.7318 11.7318 12.0870 12.0870 12.2376 12.2376 12.3259 12.3259 12.3859 12.3859 12.7747 12.7747 13.1603 13.1603 k = 0.4167 0.4330-0.0000 ( 2578 PWs) bands (ev): 3.3203 3.3203 3.9526 3.9526 6.5243 6.5243 8.1922 8.1922 8.6318 8.6318 8.6590 8.6590 8.9545 8.9545 9.8326 9.8326 10.1196 10.1196 10.1421 10.1421 10.4194 10.4194 10.7227 10.7227 11.1407 11.1407 11.1808 11.1808 11.2479 11.2479 11.3367 11.3367 11.7050 11.7050 11.7347 11.7347 12.0857 12.0857 12.2389 12.2389 12.3138 12.3138 12.3860 12.3860 12.7547 12.7547 13.1595 13.1595 k = 0.4103 0.4441-0.0000 ( 2578 PWs) bands (ev): 3.3464 3.3464 3.9571 3.9571 6.5181 6.5181 8.1365 8.1365 8.5822 8.5822 8.6892 8.6892 8.9619 8.9619 9.8176 9.8176 10.1337 10.1337 10.1722 10.1722 10.4399 10.4399 10.7298 10.7298 11.1426 11.1426 11.1644 11.1644 11.2488 11.2488 11.3387 11.3387 11.6996 11.6996 11.7371 11.7371 12.0837 12.0837 12.2416 12.2416 12.2992 12.2992 12.3885 12.3885 12.7346 12.7346 13.1588 13.1588 k = 0.4038 0.4552-0.0000 ( 2578 PWs) bands (ev): 3.3741 3.3741 3.9603 3.9603 6.5092 6.5092 8.0880 8.0880 8.5331 8.5331 8.7217 8.7217 8.9700 8.9700 9.7901 9.7901 10.1389 10.1389 10.2170 10.2170 10.4613 10.4613 10.7359 10.7359 11.1415 11.1415 11.1506 11.1506 11.2491 11.2491 11.3416 11.3416 11.6941 11.6941 11.7388 11.7388 12.0814 12.0814 12.2448 12.2448 12.2842 12.2842 12.3922 12.3922 12.7143 12.7143 13.1580 13.1580 k = 0.3974 0.4663-0.0000 ( 2578 PWs) bands (ev): 3.4036 3.4036 3.9616 3.9616 6.4975 6.4975 8.0476 8.0476 8.4850 8.4850 8.7562 8.7562 8.9788 8.9788 9.7532 9.7532 10.1487 10.1487 10.2601 10.2601 10.4836 10.4836 10.7405 10.7405 11.1298 11.1298 11.1476 11.1476 11.2486 11.2486 11.3450 11.3450 11.6886 11.6886 11.7398 11.7398 12.0788 12.0788 12.2445 12.2445 12.2735 12.2735 12.3965 12.3965 12.6936 12.6936 13.1573 13.1573 k = 0.3910 0.4774-0.0000 ( 2578 PWs) bands (ev): 3.4347 3.4347 3.9608 3.9608 6.4832 6.4832 8.0156 8.0156 8.4379 8.4379 8.7925 8.7925 8.9882 8.9882 9.7098 9.7098 10.1610 10.1610 10.3007 10.3007 10.5063 10.5063 10.7435 10.7435 11.1159 11.1159 11.1477 11.1477 11.2475 11.2475 11.3485 11.3485 11.6833 11.6833 11.7399 11.7399 12.0764 12.0764 12.2338 12.2338 12.2746 12.2746 12.4011 12.4011 12.6723 12.6723 13.1566 13.1566 k = 0.3846 0.4885-0.0000 ( 2570 PWs) bands (ev): 3.4674 3.4674 3.9572 3.9572 6.4667 6.4667 7.9923 7.9923 8.3921 8.3921 8.8302 8.8302 8.9981 8.9981 9.6619 9.6619 10.1741 10.1741 10.3386 10.3386 10.5296 10.5296 10.7447 10.7447 11.1036 11.1036 11.1478 11.1478 11.2456 11.2456 11.3517 11.3517 11.6786 11.6786 11.7390 11.7390 12.0746 12.0746 12.2171 12.2171 12.2835 12.2835 12.4057 12.4057 12.6506 12.6506 13.1560 13.1560 k = 0.3782 0.4996-0.0000 ( 2568 PWs) bands (ev): 3.5015 3.5015 3.9505 3.9505 6.4486 6.4486 7.9776 7.9776 8.3476 8.3476 8.8694 8.8694 9.0086 9.0086 9.6109 9.6109 10.1868 10.1868 10.3734 10.3734 10.5525 10.5525 10.7438 10.7438 11.0931 11.0931 11.1478 11.1478 11.2431 11.2431 11.3541 11.3541 11.6747 11.6747 11.7369 11.7369 12.0734 12.0734 12.1989 12.1989 12.2957 12.2957 12.4102 12.4102 12.6282 12.6282 13.1555 13.1555 k = 0.3718 0.5107-0.0000 ( 2568 PWs) bands (ev): 3.5372 3.5372 3.9400 3.9400 6.4298 6.4298 7.9713 7.9713 8.3044 8.3044 8.9097 8.9097 9.0196 9.0196 9.5578 9.5578 10.1986 10.1986 10.4049 10.4049 10.5750 10.5750 10.7407 10.7407 11.0848 11.0848 11.1477 11.1477 11.2401 11.2401 11.3554 11.3554 11.6720 11.6720 11.7337 11.7337 12.0732 12.0732 12.1808 12.1808 12.3100 12.3100 12.4145 12.4145 12.6053 12.6053 13.1550 13.1550 k = 0.3654 0.5218-0.0000 ( 2560 PWs) bands (ev): 3.5742 3.5742 3.9254 3.9254 6.4112 6.4112 7.9729 7.9729 8.2626 8.2626 8.9507 8.9507 9.0311 9.0311 9.5035 9.5035 10.2090 10.2090 10.4327 10.4327 10.5970 10.5970 10.7356 10.7356 11.0787 11.0787 11.1477 11.1477 11.2367 11.2367 11.3554 11.3554 11.6708 11.6708 11.7294 11.7294 12.0741 12.0741 12.1635 12.1635 12.3259 12.3259 12.4188 12.4188 12.5820 12.5820 13.1546 13.1546 k = 0.3590 0.5329-0.0000 ( 2572 PWs) bands (ev): 3.6125 3.6125 3.9062 3.9062 6.3939 6.3939 7.9817 7.9817 8.2221 8.2221 8.9917 8.9917 9.0430 9.0430 9.4489 9.4489 10.2176 10.2176 10.4563 10.4563 10.6180 10.6180 10.7284 10.7284 11.0745 11.0745 11.1479 11.1479 11.2329 11.2329 11.3539 11.3539 11.6715 11.6715 11.7238 11.7238 12.0762 12.0762 12.1473 12.1473 12.3424 12.3424 12.4229 12.4229 12.5583 12.5583 13.1542 13.1542 k = 0.3526 0.5440-0.0000 ( 2572 PWs) bands (ev): 3.6521 3.6521 3.8820 3.8820 6.3789 6.3789 7.9972 7.9972 8.1833 8.1833 9.0315 9.0315 9.0553 9.0553 9.3954 9.3954 10.2245 10.2245 10.4752 10.4752 10.6379 10.6379 10.7196 10.7196 11.0720 11.0720 11.1484 11.1484 11.2294 11.2294 11.3513 11.3513 11.6740 11.6740 11.7173 11.7173 12.0794 12.0794 12.1327 12.1327 12.3589 12.3589 12.4277 12.4277 12.5348 12.5348 13.1539 13.1539 k = 0.3462 0.5551-0.0000 ( 2572 PWs) bands (ev): 3.6928 3.6928 3.8526 3.8526 6.3673 6.3673 8.0186 8.0186 8.1461 8.1461 9.0661 9.0661 9.0693 9.0693 9.3459 9.3459 10.2294 10.2294 10.4891 10.4891 10.6564 10.6564 10.7095 10.7095 11.0706 11.0706 11.1491 11.1491 11.2263 11.2263 11.3483 11.3483 11.6784 11.6784 11.7100 11.7100 12.0838 12.0838 12.1200 12.1200 12.3736 12.3736 12.4342 12.4342 12.5122 12.5122 13.1538 13.1538 k = 0.3397 0.5662-0.0000 ( 2572 PWs) bands (ev): 3.7345 3.7345 3.8177 3.8177 6.3599 6.3599 8.0450 8.0450 8.1107 8.1107 9.0809 9.0809 9.0929 9.0929 9.3070 9.3070 10.2323 10.2323 10.4974 10.4974 10.6728 10.6728 10.6984 10.6984 11.0701 11.0701 11.1497 11.1497 11.2241 11.2241 11.3457 11.3457 11.6843 11.6843 11.7023 11.7023 12.0887 12.0887 12.1100 12.1100 12.3836 12.3836 12.4434 12.4434 12.4920 12.4920 13.1537 13.1537 k = 0.3333 0.5774-0.0000 ( 2580 PWs) bands (ev): 3.7771 3.7771 3.7774 3.7774 6.3573 6.3573 8.0714 8.0714 8.0814 8.0814 9.0929 9.0929 9.0963 9.0963 9.2914 9.2914 10.2333 10.2333 10.5002 10.5002 10.6864 10.6864 10.6865 10.6865 11.0699 11.0699 11.1500 11.1500 11.2233 11.2233 11.3445 11.3445 11.6891 11.6891 11.6968 11.6968 12.0916 12.0916 12.1053 12.1053 12.3871 12.3871 12.4503 12.4503 12.4811 12.4811 13.1537 13.1537 k = 0.3333 0.5774-0.0000 ( 2580 PWs) bands (ev): 3.7771 3.7771 3.7774 3.7774 6.3573 6.3573 8.0714 8.0714 8.0814 8.0814 9.0929 9.0929 9.0963 9.0963 9.2914 9.2914 10.2333 10.2333 10.5002 10.5002 10.6864 10.6864 10.6865 10.6865 11.0699 11.0699 11.1500 11.1500 11.2233 11.2233 11.3445 11.3445 11.6891 11.6891 11.6968 11.6968 12.0916 12.0916 12.1053 12.1053 12.3871 12.3871 12.4503 12.4503 12.4811 12.4811 13.1537 13.1537 k = 0.3269 0.5662-0.0000 ( 2576 PWs) bands (ev): 3.7314 3.7314 3.8208 3.8208 6.3600 6.3600 8.0439 8.0439 8.1116 8.1116 9.0668 9.0668 9.1085 9.1085 9.3055 9.3055 10.2323 10.2323 10.4975 10.4975 10.6742 10.6742 10.6966 10.6966 11.0699 11.0699 11.1496 11.1496 11.2243 11.2243 11.3461 11.3461 11.6837 11.6837 11.7029 11.7029 12.0891 12.0891 12.1096 12.1096 12.3837 12.3837 12.4429 12.4429 12.4923 12.4923 13.1537 13.1537 k = 0.3205 0.5551-0.0000 ( 2580 PWs) bands (ev): 3.6802 3.6802 3.8651 3.8651 6.3684 6.3684 8.0138 8.0138 8.1493 8.1493 9.0203 9.0203 9.1225 9.1225 9.3382 9.3382 10.2295 10.2295 10.4893 10.4893 10.6618 10.6618 10.7022 10.7022 11.0697 11.0697 11.1486 11.1486 11.2273 11.2273 11.3512 11.3512 11.6759 11.6759 11.7127 11.7127 12.0857 12.0857 12.1180 12.1180 12.3741 12.3741 12.4320 12.4320 12.5139 12.5139 13.1537 13.1537 k = 0.3141 0.5440-0.0000 ( 2580 PWs) bands (ev): 3.6240 3.6240 3.9101 3.9101 6.3826 6.3826 7.9854 7.9854 8.1895 8.1895 8.9651 8.9651 9.1369 9.1369 9.3792 9.3792 10.2250 10.2250 10.4761 10.4761 10.6494 10.6494 10.7028 10.7028 11.0691 11.0691 11.1470 11.1470 11.2326 11.2326 11.3606 11.3606 11.6685 11.6685 11.7236 11.7236 12.0840 12.0840 12.1281 12.1281 12.3602 12.3602 12.4236 12.4236 12.5386 12.5386 13.1536 13.1536 k = 0.3077 0.5329-0.0000 ( 2576 PWs) bands (ev): 3.5632 3.5632 3.9555 3.9555 6.4027 6.4027 7.9590 7.9590 8.2315 8.2315 8.9060 8.9060 9.1515 9.1515 9.4237 9.4237 10.2189 10.2189 10.4581 10.4581 10.6371 10.6371 10.6979 10.6979 11.0679 11.0679 11.1452 11.1452 11.2399 11.2399 11.3748 11.3748 11.6620 11.6620 11.7355 11.7355 12.0845 12.0845 12.1393 12.1393 12.3441 12.3441 12.4168 12.4168 12.5647 12.5647 13.1535 13.1535 k = 0.3013 0.5218-0.0000 ( 2580 PWs) bands (ev): 3.4981 3.4981 4.0014 4.0014 6.4285 6.4285 7.9346 7.9346 8.2747 8.2747 8.8449 8.8449 9.1663 9.1663 9.4696 9.4696 10.2114 10.2114 10.4357 10.4357 10.6248 10.6248 10.6877 10.6877 11.0662 11.0662 11.1435 11.1435 11.2490 11.2490 11.3938 11.3938 11.6567 11.6567 11.7482 11.7482 12.0872 12.0872 12.1513 12.1513 12.3278 12.3278 12.4110 12.4110 12.5914 12.5914 13.1532 13.1532 k = 0.2949 0.5107-0.0000 ( 2568 PWs) bands (ev): 3.4292 3.4292 4.0475 4.0475 6.4598 6.4598 7.9123 7.9123 8.3184 8.3184 8.7829 8.7829 9.1813 9.1813 9.5158 9.5158 10.2028 10.2028 10.4092 10.4092 10.6126 10.6126 10.6728 10.6728 11.0641 11.0641 11.1424 11.1424 11.2597 11.2597 11.4173 11.4173 11.6529 11.6529 11.7618 11.7618 12.0922 12.0922 12.1640 12.1640 12.3126 12.3126 12.4055 12.4055 12.6185 12.6185 13.1528 13.1528 k = 0.2885 0.4996-0.0000 ( 2576 PWs) bands (ev): 3.3571 3.3571 4.0937 4.0937 6.4964 6.4964 7.8922 7.8922 8.3618 8.3618 8.7205 8.7205 9.1963 9.1963 9.5615 9.5615 10.1933 10.1933 10.3789 10.3789 10.6002 10.6002 10.6536 10.6536 11.0617 11.0617 11.1418 11.1418 11.2712 11.2712 11.4447 11.4447 11.6505 11.6505 11.7763 11.7763 12.0993 12.0993 12.1768 12.1768 12.2991 12.2991 12.4002 12.4002 12.6454 12.6454 13.1519 13.1519 k = 0.2821 0.4885-0.0000 ( 2574 PWs) bands (ev): 3.2821 3.2821 4.1398 4.1398 6.5379 6.5379 7.8742 7.8742 8.4038 8.4038 8.6584 8.6584 9.2114 9.2114 9.6060 9.6060 10.1834 10.1834 10.3454 10.3454 10.5880 10.5880 10.6313 10.6313 11.0596 11.0596 11.1422 11.1422 11.2832 11.2832 11.4756 11.4756 11.6498 11.6498 11.7920 11.7920 12.1086 12.1086 12.1896 12.1896 12.2884 12.2884 12.3953 12.3953 12.6719 12.6719 13.1507 13.1507 k = 0.2756 0.4774-0.0000 ( 2574 PWs) bands (ev): 3.2048 3.2048 4.1858 4.1858 6.5841 6.5841 7.8586 7.8586 8.4427 8.4427 8.5982 8.5982 9.2265 9.2265 9.6489 9.6489 10.1732 10.1732 10.3090 10.3090 10.5756 10.5756 10.6063 10.6063 11.0581 11.0581 11.1437 11.1437 11.2955 11.2955 11.5089 11.5089 11.6508 11.6508 11.8092 11.8092 12.1197 12.1197 12.2012 12.2012 12.2816 12.2816 12.3909 12.3909 12.6979 12.6979 13.1490 13.1490 k = 0.2692 0.4663-0.0000 ( 2574 PWs) bands (ev): 3.1256 3.1256 4.2314 4.2314 6.6346 6.6346 7.8453 7.8453 8.4692 8.4692 8.5486 8.5486 9.2416 9.2416 9.6897 9.6897 10.1631 10.1631 10.2703 10.2703 10.5630 10.5630 10.5794 10.5794 11.0577 11.0577 11.1465 11.1465 11.3078 11.3078 11.5438 11.5438 11.6536 11.6536 11.8281 11.8281 12.1324 12.1324 12.2101 12.2101 12.2806 12.2806 12.3876 12.3876 12.7231 12.7231 13.1469 13.1469 k = 0.2628 0.4552-0.0000 ( 2566 PWs) bands (ev): 3.0450 3.0450 4.2766 4.2766 6.6890 6.6890 7.8344 7.8344 8.4466 8.4466 8.5459 8.5459 9.2565 9.2565 9.7279 9.7279 10.1534 10.1534 10.2298 10.2298 10.5489 10.5489 10.5522 10.5522 11.0589 11.0589 11.1511 11.1511 11.3199 11.3199 11.5791 11.5791 11.6584 11.6584 11.8491 11.8491 12.1463 12.1463 12.2149 12.2149 12.2872 12.2872 12.3858 12.3858 12.7476 12.7476 13.1441 13.1441 k = 0.2564 0.4441-0.0000 ( 2566 PWs) bands (ev): 2.9633 2.9633 4.3211 4.3211 6.7471 6.7471 7.8260 7.8260 8.3913 8.3913 8.5733 8.5733 9.2713 9.2713 9.7631 9.7631 10.1439 10.1439 10.1886 10.1886 10.5213 10.5213 10.5371 10.5371 11.0620 11.0620 11.1574 11.1574 11.3316 11.3316 11.6132 11.6132 11.6659 11.6659 11.8722 11.8722 12.1605 12.1605 12.2161 12.2161 12.3010 12.3010 12.3863 12.3863 12.7711 12.7711 13.1407 13.1407 k = 0.2500 0.4330-0.0000 ( 2568 PWs) bands (ev): 2.8809 2.8809 4.3648 4.3648 6.8084 6.8084 7.8200 7.8200 8.3309 8.3309 8.6028 8.6028 9.2857 9.2857 9.7948 9.7948 10.1313 10.1313 10.1507 10.1507 10.4912 10.4912 10.5233 10.5233 11.0676 11.0676 11.1658 11.1658 11.3430 11.3430 11.6427 11.6427 11.6782 11.6782 11.8976 11.8976 12.1741 12.1741 12.2158 12.2158 12.3203 12.3203 12.3902 12.3902 12.7936 12.7936 13.1367 13.1367 k = 0.2436 0.4219-0.0000 ( 2562 PWs) bands (ev): 2.7981 2.7981 4.4075 4.4075 6.8728 6.8728 7.8166 7.8166 8.2697 8.2697 8.6298 8.6298 9.2998 9.2998 9.8228 9.8228 10.0976 10.0976 10.1348 10.1348 10.4606 10.4606 10.5092 10.5092 11.0760 11.0760 11.1766 11.1766 11.3540 11.3540 11.6630 11.6630 11.6997 11.6997 11.9252 11.9252 12.1861 12.1861 12.2158 12.2158 12.3443 12.3443 12.3985 12.3985 12.8152 12.8152 13.1320 13.1320 k = 0.2372 0.4108-0.0000 ( 2562 PWs) bands (ev): 2.7154 2.7154 4.4492 4.4492 6.9399 6.9399 7.8157 7.8157 8.2085 8.2085 8.6529 8.6529 9.3134 9.3134 9.8468 9.8468 10.0558 10.0558 10.1286 10.1286 10.4297 10.4297 10.4945 10.4945 11.0873 11.0873 11.1896 11.1896 11.3646 11.3646 11.6766 11.6766 11.7271 11.7271 11.9547 11.9547 12.1952 12.1952 12.2172 12.2172 12.3723 12.3723 12.4127 12.4127 12.8357 12.8357 13.1268 13.1268 k = 0.2308 0.3997-0.0000 ( 2556 PWs) bands (ev): 2.6328 2.6328 4.4895 4.4895 7.0093 7.0093 7.8173 7.8173 8.1478 8.1478 8.6719 8.6719 9.3264 9.3264 9.8669 9.8669 10.0138 10.0138 10.1247 10.1247 10.3986 10.3986 10.4794 10.4794 11.1019 11.1019 11.2052 11.2052 11.3749 11.3749 11.6886 11.6886 11.7552 11.7552 11.9851 11.9851 12.2010 12.2010 12.2200 12.2200 12.4042 12.4042 12.4338 12.4338 12.8553 12.8553 13.1211 13.1211 k = 0.2244 0.3886-0.0000 ( 2556 PWs) bands (ev): 2.5508 2.5508 4.5285 4.5285 7.0809 7.0809 7.8214 7.8214 8.0877 8.0877 8.6863 8.6863 9.3386 9.3386 9.8828 9.8828 9.9729 9.9729 10.1221 10.1221 10.3674 10.3674 10.4637 10.4637 11.1197 11.1197 11.2231 11.2231 11.3851 11.3851 11.7008 11.7008 11.7821 11.7821 12.0156 12.0156 12.2047 12.2047 12.2233 12.2233 12.4397 12.4397 12.4624 12.4624 12.8739 12.8739 13.1148 13.1148 k = 0.2179 0.3775-0.0000 ( 2560 PWs) bands (ev): 2.4694 2.4694 4.5660 4.5660 7.1543 7.1543 7.8279 7.8279 8.0284 8.0284 8.6962 8.6962 9.3499 9.3499 9.8947 9.8947 9.9339 9.9339 10.1204 10.1204 10.3362 10.3362 10.4477 10.4477 11.1407 11.1407 11.2432 11.2432 11.3952 11.3952 11.7136 11.7136 11.8077 11.8077 12.0452 12.0452 12.2077 12.2077 12.2261 12.2261 12.4790 12.4790 12.4988 12.4988 12.8916 12.8916 13.1082 13.1082 k = 0.2115 0.3664-0.0000 ( 2560 PWs) bands (ev): 2.3890 2.3890 4.6018 4.6018 7.2292 7.2292 7.8369 7.8369 7.9700 7.9700 8.7015 8.7015 9.3600 9.3600 9.8933 9.8933 9.9070 9.9070 10.1193 10.1193 10.3052 10.3052 10.4313 10.4313 11.1650 11.1650 11.2654 11.2654 11.4054 11.4054 11.7271 11.7271 11.8318 11.8318 12.0732 12.0732 12.2108 12.2108 12.2284 12.2284 12.5221 12.5221 12.5423 12.5423 12.9087 12.9087 13.1015 13.1015 k = 0.2051 0.3553-0.0000 ( 2556 PWs) bands (ev): 2.3097 2.3097 4.6359 4.6359 7.3054 7.3054 7.8480 7.8480 7.9128 7.9128 8.7026 8.7026 9.3689 9.3689 9.8608 9.8608 9.9106 9.9106 10.1185 10.1185 10.2744 10.2744 10.4146 10.4146 11.1922 11.1922 11.2890 11.2890 11.4157 11.4157 11.7416 11.7416 11.8549 11.8549 12.0989 12.0989 12.2140 12.2140 12.2307 12.2307 12.5696 12.5696 12.5921 12.5921 12.9254 12.9254 13.0946 13.0946 k = 0.1987 0.3442-0.0000 ( 2556 PWs) bands (ev): 2.2317 2.2317 4.6681 4.6681 7.3824 7.3824 7.8553 7.8553 7.8627 7.8627 8.6995 8.6995 9.3763 9.3763 9.8296 9.8296 9.9132 9.9132 10.1176 10.1176 10.2439 10.2439 10.3976 10.3976 11.2222 11.2222 11.3138 11.3138 11.4265 11.4265 11.7568 11.7568 11.8767 11.8767 12.1222 12.1222 12.2172 12.2172 12.2336 12.2336 12.6213 12.6213 12.6471 12.6471 12.9420 12.9420 13.0878 13.0878 k = 0.1923 0.3331-0.0000 ( 2560 PWs) bands (ev): 2.1551 2.1551 4.6985 4.6985 7.4596 7.4596 7.8024 7.8024 7.8767 7.8767 8.6928 8.6928 9.3821 9.3821 9.8018 9.8018 9.9133 9.9133 10.1165 10.1165 10.2138 10.2138 10.3805 10.3805 11.2544 11.2544 11.3391 11.3391 11.4377 11.4377 11.7729 11.7729 11.8975 11.8975 12.1432 12.1432 12.2204 12.2204 12.2375 12.2375 12.6770 12.6770 12.7062 12.7062 12.9592 12.9592 13.0812 13.0812 k = 0.1859 0.3220-0.0000 ( 2562 PWs) bands (ev): 2.0801 2.0801 4.7270 4.7270 7.5355 7.5355 7.7514 7.7514 7.8935 7.8935 8.6828 8.6828 9.3861 9.3861 9.7779 9.7779 9.9111 9.9111 10.1151 10.1151 10.1841 10.1841 10.3631 10.3631 11.2886 11.2886 11.3644 11.3644 11.4498 11.4498 11.7898 11.7898 11.9174 11.9174 12.1619 12.1619 12.2239 12.2239 12.2425 12.2425 12.7359 12.7359 12.7683 12.7683 12.9785 12.9785 13.0751 13.0751 k = 0.1795 0.3109-0.0000 ( 2582 PWs) bands (ev): 2.0068 2.0068 4.7535 4.7535 7.6024 7.6024 7.7111 7.7111 7.9119 7.9119 8.6700 8.6700 9.3881 9.3881 9.7580 9.7580 9.9066 9.9066 10.1133 10.1133 10.1551 10.1551 10.3455 10.3455 11.3238 11.3238 11.3890 11.3890 11.4629 11.4629 11.8074 11.8074 11.9362 11.9362 12.1785 12.1785 12.2281 12.2281 12.2483 12.2483 12.7962 12.7962 12.8315 12.8315 13.0025 13.0025 13.0699 13.0699 k = 0.1731 0.2998-0.0000 ( 2582 PWs) bands (ev): 1.9353 1.9353 4.7780 4.7780 7.6151 7.6151 7.7263 7.7263 7.9315 7.9315 8.6548 8.6548 9.3887 9.3887 9.7426 9.7426 9.9003 9.9003 10.1109 10.1109 10.1270 10.1270 10.3277 10.3277 11.3599 11.3599 11.4124 11.4124 11.4775 11.4775 11.8257 11.8257 11.9542 11.9542 12.1932 12.1932 12.2338 12.2338 12.2548 12.2548 12.8531 12.8531 12.8947 12.8947 13.0354 13.0354 13.0674 13.0674 k = 0.1667 0.2887-0.0000 ( 2586 PWs) bands (ev): 1.8657 1.8657 4.8006 4.8006 7.5765 7.5765 7.7941 7.7941 7.9519 7.9519 8.6379 8.6379 9.3879 9.3879 9.7311 9.7311 9.8922 9.8922 10.0988 10.0988 10.1091 10.1091 10.3099 10.3099 11.3959 11.3959 11.4343 11.4343 11.4938 11.4938 11.8446 11.8446 11.9711 11.9711 12.2059 12.2059 12.2414 12.2414 12.2617 12.2617 12.8982 12.8982 12.9584 12.9584 13.0617 13.0617 13.0900 13.0900 k = 0.1603 0.2776-0.0000 ( 2586 PWs) bands (ev): 1.7981 1.7981 4.8213 4.8213 7.5307 7.5307 7.8701 7.8701 7.9730 7.9730 8.6196 8.6196 9.3864 9.3864 9.7234 9.7234 9.8825 9.8825 10.0726 10.0726 10.1061 10.1061 10.2919 10.2919 11.4305 11.4305 11.4553 11.4553 11.5116 11.5116 11.8642 11.8642 11.9871 11.9871 12.2169 12.2169 12.2510 12.2510 12.2690 12.2690 12.9284 12.9284 13.0123 13.0123 13.0799 13.0799 13.1527 13.1527 k = 0.1538 0.2665-0.0000 ( 2586 PWs) bands (ev): 1.7327 1.7327 4.8401 4.8401 7.4844 7.4844 7.9472 7.9472 7.9942 7.9942 8.6007 8.6007 9.3846 9.3846 9.7188 9.7188 9.8715 9.8715 10.0472 10.0472 10.1029 10.1029 10.2739 10.2739 11.4596 11.4596 11.4794 11.4794 11.5304 11.5304 11.8842 11.8842 12.0020 12.0020 12.2266 12.2266 12.2621 12.2621 12.2767 12.2767 12.9482 12.9482 13.0307 13.0307 13.1380 13.1380 13.2281 13.2281 k = 0.1474 0.2554-0.0000 ( 2582 PWs) bands (ev): 1.6694 1.6694 4.8571 4.8571 7.4389 7.4389 8.0148 8.0148 8.0242 8.0242 8.5816 8.5816 9.3833 9.3833 9.7169 9.7169 9.8594 9.8594 10.0232 10.0232 10.0994 10.0994 10.2561 10.2561 11.4798 11.4798 11.5100 11.5100 11.5495 11.5495 11.9046 11.9046 12.0160 12.0160 12.2359 12.2359 12.2736 12.2736 12.2852 12.2852 12.9621 12.9621 13.0331 13.0331 13.2169 13.2169 13.3109 13.3109 k = 0.1410 0.2443-0.0000 ( 2580 PWs) bands (ev): 1.6084 1.6084 4.8723 4.8723 7.3947 7.3947 8.0356 8.0356 8.0986 8.0986 8.5634 8.5634 9.3829 9.3829 9.7169 9.7169 9.8463 9.8463 10.0008 10.0008 10.0952 10.0952 10.2383 10.2383 11.4961 11.4961 11.5423 11.5423 11.5683 11.5683 11.9252 11.9252 12.0291 12.0291 12.2451 12.2451 12.2838 12.2838 12.2955 12.2955 12.9727 12.9727 13.0328 13.0328 13.3020 13.3020 13.3984 13.3984 k = 0.1346 0.2332-0.0000 ( 2574 PWs) bands (ev): 1.5497 1.5497 4.8859 4.8859 7.3519 7.3519 8.0554 8.0554 8.1701 8.1701 8.5476 8.5476 9.3840 9.3840 9.7182 9.7182 9.8325 9.8325 9.9804 9.9804 10.0903 10.0903 10.2209 10.2209 11.5112 11.5112 11.5737 11.5737 11.5864 11.5864 11.9458 11.9458 12.0411 12.0411 12.2547 12.2547 12.2921 12.2921 12.3079 12.3079 12.9811 12.9811 13.0322 13.0322 13.3893 13.3893 13.4894 13.4894 k = 0.1282 0.2221-0.0000 ( 2571 PWs) bands (ev): 1.4934 1.4934 4.8979 4.8979 7.3108 7.3108 8.0740 8.0740 8.2357 8.2357 8.5365 8.5365 9.3868 9.3868 9.7200 9.7200 9.8183 9.8183 9.9624 9.9624 10.0841 10.0841 10.2042 10.2042 11.5256 11.5256 11.6029 11.6029 11.6040 11.6040 11.9661 11.9661 12.0523 12.0523 12.2645 12.2645 12.2993 12.2993 12.3212 12.3212 12.9882 12.9882 13.0321 13.0321 13.4736 13.4736 13.5822 13.5822 k = 0.1218 0.2110-0.0000 ( 2571 PWs) bands (ev): 1.4396 1.4396 4.9084 4.9084 7.2712 7.2712 8.0912 8.0912 8.2908 8.2908 8.5352 8.5352 9.3915 9.3915 9.7216 9.7216 9.8038 9.8038 9.9473 9.9473 10.0764 10.0764 10.1886 10.1886 11.5397 11.5397 11.6192 11.6192 11.6315 11.6315 11.9862 11.9862 12.0628 12.0628 12.2746 12.2746 12.3058 12.3058 12.3347 12.3347 12.9943 12.9943 13.0326 13.0326 13.5460 13.5460 13.6742 13.6742 k = 0.1154 0.1999-0.0000 ( 2571 PWs) bands (ev): 1.3882 1.3882 4.9176 4.9176 7.2334 7.2334 8.1069 8.1069 8.3280 8.3280 8.5509 8.5509 9.3981 9.3981 9.7223 9.7223 9.7892 9.7892 9.9357 9.9357 10.0666 10.0666 10.1744 10.1744 11.5536 11.5536 11.6339 11.6339 11.6574 11.6574 12.0055 12.0055 12.0726 12.0726 12.2850 12.2850 12.3119 12.3119 12.3480 12.3480 12.9997 12.9997 13.0338 13.0338 13.5969 13.5969 13.7649 13.7649 k = 0.1090 0.1887-0.0000 ( 2581 PWs) bands (ev): 1.3394 1.3394 4.9255 4.9255 7.1974 7.1974 8.1209 8.1209 8.3436 8.3436 8.5875 8.5875 9.4063 9.4063 9.7214 9.7214 9.7746 9.7746 9.9282 9.9282 10.0543 10.0543 10.1623 10.1623 11.5672 11.5672 11.6475 11.6475 11.6813 11.6813 12.0240 12.0240 12.0818 12.0818 12.2954 12.2954 12.3178 12.3178 12.3607 12.3607 13.0046 13.0046 13.0356 13.0356 13.6299 13.6299 13.8617 13.8617 k = 0.1026 0.1776-0.0000 ( 2587 PWs) bands (ev): 1.2932 1.2932 4.9323 4.9323 7.1632 7.1632 8.1331 8.1331 8.3428 8.3428 8.6395 8.6395 9.4163 9.4163 9.7186 9.7186 9.7602 9.7602 9.9253 9.9253 10.0391 10.0391 10.1521 10.1521 11.5807 11.5807 11.6601 11.6601 11.7031 11.7031 12.0414 12.0414 12.0907 12.0907 12.3054 12.3054 12.3237 12.3237 12.3729 12.3729 13.0093 13.0093 13.0381 13.0381 13.6538 13.6538 13.9653 13.9653 k = 0.0962 0.1665-0.0000 ( 2589 PWs) bands (ev): 1.2495 1.2495 4.9380 4.9380 7.1309 7.1309 8.1437 8.1437 8.3335 8.3335 8.6995 8.6995 9.4274 9.4274 9.7136 9.7136 9.7461 9.7461 9.9270 9.9270 10.0213 10.0213 10.1440 10.1440 11.5938 11.5938 11.6718 11.6718 11.7229 11.7229 12.0573 12.0573 12.0994 12.0994 12.3146 12.3146 12.3302 12.3302 12.3842 12.3842 13.0139 13.0139 13.0412 13.0412 13.6735 13.6735 14.0729 14.0729 k = 0.0897 0.1554-0.0000 ( 2591 PWs) bands (ev): 1.2086 1.2086 4.9428 4.9428 7.1005 7.1005 8.1526 8.1526 8.3201 8.3201 8.7627 8.7627 9.4393 9.4393 9.7069 9.7069 9.7326 9.7326 9.9329 9.9329 10.0011 10.0011 10.1376 10.1376 11.6065 11.6065 11.6826 11.6826 11.7409 11.7409 12.0717 12.0717 12.1079 12.1079 12.3219 12.3219 12.3381 12.3381 12.3946 12.3946 13.0184 13.0184 13.0447 13.0447 13.6911 13.6911 14.1822 14.1822 k = 0.0833 0.1443-0.0000 ( 2579 PWs) bands (ev): 1.1703 1.1703 4.9468 4.9468 7.0720 7.0720 8.1601 8.1601 8.3052 8.3052 8.8270 8.8270 9.4516 9.4516 9.6989 9.6989 9.7197 9.7197 9.9426 9.9426 9.9789 9.9789 10.1327 10.1327 11.6188 11.6188 11.6927 11.6927 11.7571 11.7571 12.0844 12.0844 12.1164 12.1164 12.3269 12.3269 12.3477 12.3477 12.4040 12.4040 13.0230 13.0230 13.0488 13.0488 13.7073 13.7073 14.2919 14.2919 k = 0.0769 0.1332-0.0000 ( 2583 PWs) bands (ev): 1.1348 1.1348 4.9501 4.9501 7.0455 7.0455 8.1661 8.1661 8.2898 8.2898 8.8909 8.8909 9.4637 9.4637 9.6899 9.6899 9.7074 9.7074 9.9516 9.9516 9.9585 9.9585 10.1287 10.1287 11.6304 11.6304 11.7021 11.7021 11.7716 11.7716 12.0954 12.0954 12.1245 12.1245 12.3301 12.3301 12.3582 12.3582 12.4124 12.4124 13.0274 13.0274 13.0530 13.0530 13.7223 13.7223 14.4008 14.4008 k = 0.0705 0.1221-0.0000 ( 2587 PWs) bands (ev): 1.1020 1.1020 4.9527 4.9527 7.0211 7.0211 8.1709 8.1709 8.2747 8.2747 8.9540 8.9540 9.4754 9.4754 9.6807 9.6807 9.6959 9.6959 9.9282 9.9282 9.9713 9.9713 10.1255 10.1255 11.6412 11.6412 11.7109 11.7109 11.7845 11.7845 12.1050 12.1050 12.1323 12.1323 12.3321 12.3321 12.3690 12.3690 12.4199 12.4199 13.0319 13.0319 13.0573 13.0573 13.7363 13.7363 14.5080 14.5080 k = 0.0641 0.1110-0.0000 ( 2579 PWs) bands (ev): 1.0720 1.0720 4.9548 4.9548 6.9986 6.9986 8.1746 8.1746 8.2603 8.2603 9.0159 9.0159 9.4863 9.4863 9.6717 9.6717 9.6853 9.6853 9.9010 9.9010 9.9881 9.9881 10.1229 10.1229 11.6513 11.6513 11.7192 11.7192 11.7962 11.7962 12.1137 12.1137 12.1393 12.1393 12.3329 12.3329 12.3798 12.3798 12.4265 12.4265 13.0365 13.0365 13.0619 13.0619 13.7495 13.7495 14.6116 14.6116 k = 0.0577 0.0999-0.0000 ( 2579 PWs) bands (ev): 1.0448 1.0448 4.9565 4.9565 6.9783 6.9783 8.1774 8.1774 8.2468 8.2468 9.0763 9.0763 9.4961 9.4961 9.6631 9.6631 9.6756 9.6756 9.8722 9.8722 10.0060 10.0060 10.1208 10.1208 11.6604 11.6604 11.7269 11.7269 11.8063 11.8063 12.1215 12.1215 12.1455 12.1455 12.3328 12.3328 12.3901 12.3901 12.4324 12.4324 13.0409 13.0409 13.0663 13.0663 13.7617 13.7617 14.7088 14.7088 k = 0.0513 0.0888-0.0000 ( 2583 PWs) bands (ev): 1.0203 1.0203 4.9578 4.9578 6.9600 6.9600 8.1794 8.1794 8.2344 8.2344 9.1350 9.1350 9.5045 9.5045 9.6553 9.6553 9.6669 9.6669 9.8419 9.8419 10.0241 10.0241 10.1189 10.1189 11.6686 11.6686 11.7341 11.7341 11.8152 11.8152 12.1289 12.1289 12.1507 12.1507 12.3316 12.3316 12.3996 12.3996 12.4376 12.4376 13.0451 13.0451 13.0707 13.0707 13.7727 13.7727 14.7948 14.7948 k = 0.0449 0.0777-0.0000 ( 2585 PWs) bands (ev): 0.9988 0.9988 4.9587 4.9587 6.9438 6.9438 8.1807 8.1807 8.2233 8.2233 9.1920 9.1920 9.5116 9.5116 9.6483 9.6483 9.6592 9.6592 9.8103 9.8103 10.0420 10.0420 10.1175 10.1175 11.6758 11.6758 11.7408 11.7408 11.8228 11.8228 12.1359 12.1359 12.1550 12.1550 12.3295 12.3295 12.4082 12.4082 12.4425 12.4425 13.0491 13.0491 13.0748 13.0748 13.7827 13.7827 14.8638 14.8638 k = 0.0385 0.0666-0.0000 ( 2581 PWs) bands (ev): 0.9800 0.9800 4.9594 4.9594 6.9298 6.9298 8.1816 8.1816 8.2137 8.2137 9.2472 9.2472 9.5174 9.5174 9.6421 9.6421 9.6527 9.6527 9.7774 9.7774 10.0589 10.0589 10.1163 10.1163 11.6820 11.6820 11.7468 11.7468 11.8293 11.8293 12.1425 12.1425 12.1584 12.1584 12.3267 12.3267 12.4156 12.4156 12.4471 12.4471 13.0529 13.0529 13.0787 13.0787 13.7916 13.7916 14.9115 14.9115 k = 0.0321 0.0555-0.0000 ( 2585 PWs) bands (ev): 0.9642 0.9642 4.9599 4.9599 6.9178 6.9178 8.1818 8.1818 8.2056 8.2056 9.3004 9.3004 9.5218 9.5218 9.6368 9.6368 9.6473 9.6473 9.7433 9.7433 10.0743 10.0743 10.1153 10.1153 11.6872 11.6872 11.7522 11.7522 11.8347 11.8347 12.1486 12.1486 12.1610 12.1610 12.3234 12.3234 12.4215 12.4215 12.4514 12.4514 13.0561 13.0561 13.0822 13.0822 13.7992 13.7992 14.9396 14.9396 k = 0.0256 0.0444-0.0000 ( 2583 PWs) bands (ev): 0.9512 0.9512 4.9603 4.9603 6.9081 6.9081 8.1816 8.1816 8.1992 8.1992 9.3517 9.3517 9.5250 9.5250 9.6321 9.6321 9.6428 9.6428 9.7082 9.7082 10.0877 10.0877 10.1146 10.1146 11.6914 11.6914 11.7567 11.7567 11.8390 11.8390 12.1542 12.1542 12.1629 12.1629 12.3199 12.3199 12.4262 12.4262 12.4554 12.4554 13.0589 13.0589 13.0852 13.0852 13.8056 13.8056 14.9539 14.9539 k = 0.0192 0.0333-0.0000 ( 2587 PWs) bands (ev): 0.9411 0.9411 4.9605 4.9605 6.9005 6.9005 8.1809 8.1809 8.1947 8.1947 9.4010 9.4010 9.5273 9.5273 9.6270 9.6270 9.6387 9.6387 9.6738 9.6738 10.0984 10.0984 10.1140 10.1140 11.6947 11.6947 11.7604 11.7604 11.8424 11.8424 12.1590 12.1590 12.1644 12.1644 12.3165 12.3165 12.4295 12.4295 12.4587 12.4587 13.0611 13.0611 13.0876 13.0876 13.8105 13.8105 14.9602 14.9602 k = 0.0128 0.0222-0.0000 ( 2591 PWs) bands (ev): 0.9338 0.9338 4.9606 4.9606 6.8950 6.8950 8.1798 8.1798 8.1919 8.1919 9.4478 9.4478 9.5290 9.5290 9.6144 9.6144 9.6333 9.6333 9.6488 9.6488 10.1061 10.1061 10.1138 10.1138 11.6971 11.6971 11.7631 11.7631 11.8447 11.8447 12.1628 12.1628 12.1653 12.1653 12.3137 12.3137 12.4318 12.4318 12.4613 12.4613 13.0628 13.0628 13.0893 13.0893 13.8141 13.8141 14.9624 14.9624 k = 0.0064 0.0111-0.0000 ( 2587 PWs) bands (ev): 0.9295 0.9295 4.9607 4.9607 6.8918 6.8918 8.1789 8.1789 8.1906 8.1906 9.4908 9.4908 9.5314 9.5314 9.5830 9.5830 9.6295 9.6295 9.6421 9.6421 10.1105 10.1105 10.1143 10.1143 11.6985 11.6985 11.7648 11.7648 11.8461 11.8461 12.1651 12.1651 12.1659 12.1659 12.3119 12.3119 12.4331 12.4331 12.4630 12.4630 13.0638 13.0638 13.0905 13.0905 13.8162 13.8162 14.9630 14.9630 k = 0.0000 0.0000 0.0000 ( 2583 PWs) bands (ev): 0.9280 0.9280 4.9607 4.9607 6.8907 6.8907 8.1786 8.1786 8.1902 8.1902 9.5140 9.5140 9.5449 9.5449 9.5496 9.5496 9.6285 9.6285 9.6410 9.6410 10.1115 10.1115 10.1149 10.1149 11.6990 11.6990 11.7654 11.7654 11.8465 11.8465 12.1659 12.1659 12.1661 12.1661 12.3112 12.3112 12.4336 12.4336 12.4636 12.4636 13.0641 13.0641 13.0909 13.0909 13.8169 13.8169 14.9630 14.9630 k = 0.0000 0.0000 0.0000 ( 2583 PWs) bands (ev): 0.9280 0.9280 4.9607 4.9607 6.8907 6.8907 8.1786 8.1786 8.1902 8.1902 9.5140 9.5140 9.5449 9.5449 9.5496 9.5496 9.6285 9.6285 9.6410 9.6410 10.1115 10.1115 10.1149 10.1149 11.6990 11.6990 11.7654 11.7654 11.8465 11.8465 12.1659 12.1659 12.1661 12.1661 12.3112 12.3112 12.4336 12.4336 12.4636 12.4636 13.0641 13.0641 13.0909 13.0909 13.8169 13.8169 14.9630 14.9630 k = 0.0000 0.0000 0.0129 ( 2595 PWs) bands (ev): 0.9295 0.9295 4.9533 4.9533 6.8971 6.8971 8.1788 8.1788 8.1904 8.1904 9.5031 9.5031 9.5308 9.5308 9.5519 9.5519 9.6390 9.6390 9.6530 9.6530 10.1115 10.1115 10.1149 10.1149 11.6994 11.6994 11.7657 11.7657 11.8452 11.8452 12.1661 12.1661 12.1663 12.1663 12.3122 12.3122 12.4334 12.4334 12.4634 12.4634 13.0634 13.0634 13.0901 13.0901 13.8186 13.8186 14.9615 14.9615 k = 0.0000 0.0000 0.0257 ( 2607 PWs) bands (ev): 0.9339 0.9339 4.9314 4.9314 6.9160 6.9160 8.1798 8.1798 8.1914 8.1914 9.4778 9.4778 9.5028 9.5028 9.5544 9.5544 9.6633 9.6633 9.6795 9.6795 10.1120 10.1120 10.1154 10.1154 11.7008 11.7008 11.7669 11.7669 11.8410 11.8410 12.1667 12.1667 12.1669 12.1669 12.3151 12.3151 12.4331 12.4331 12.4632 12.4632 13.0615 13.0615 13.0878 13.0878 13.8237 13.8237 14.9569 14.9569 k = 0.0000 0.0000 0.0386 ( 2625 PWs) bands (ev): 0.9411 0.9411 4.8959 4.8959 6.9465 6.9465 8.1813 8.1813 8.1930 8.1930 9.4464 9.4464 9.4697 9.4697 9.5576 9.5576 9.6931 9.6931 9.7107 9.7107 10.1128 10.1128 10.1162 10.1162 11.7035 11.7035 11.7691 11.7691 11.8339 11.8339 12.1677 12.1677 12.1680 12.1680 12.3195 12.3195 12.4326 12.4326 12.4628 12.4628 13.0582 13.0582 13.0841 13.0841 13.8322 13.8322 14.9494 14.9494 k = 0.0000 0.0000 0.0514 ( 2619 PWs) bands (ev): 0.9513 0.9513 4.8483 4.8483 6.9874 6.9874 8.1836 8.1836 8.1952 8.1952 9.4125 9.4125 9.4347 9.4347 9.5625 9.5625 9.7248 9.7248 9.7434 9.7434 10.1140 10.1140 10.1174 10.1174 11.7075 11.7075 11.7726 11.7726 11.8247 11.8247 12.1692 12.1692 12.1697 12.1697 12.3255 12.3255 12.4321 12.4321 12.4624 12.4624 13.0537 13.0537 13.0789 13.0789 13.8448 13.8448 14.9392 14.9392 k = 0.0000 0.0000 0.0643 ( 2601 PWs) bands (ev): 0.9644 0.9644 4.7899 4.7899 7.0372 7.0372 8.1866 8.1866 8.1982 8.1982 9.3774 9.3774 9.3988 9.3988 9.5685 9.5685 9.7571 9.7571 9.7764 9.7764 10.1157 10.1157 10.1191 10.1191 11.7126 11.7126 11.7770 11.7770 11.8130 11.8130 12.1712 12.1712 12.1719 12.1719 12.3320 12.3320 12.4316 12.4316 12.4620 12.4620 13.0481 13.0481 13.0725 13.0725 13.8618 13.8618 14.9265 14.9265 k = 0.0000 0.0000 0.0771 ( 2601 PWs) bands (ev): 0.9803 0.9803 4.7224 4.7224 7.0943 7.0943 8.1902 8.1902 8.2018 8.2018 9.3418 9.3418 9.3624 9.3624 9.5756 9.5756 9.7892 9.7892 9.8090 9.8090 10.1176 10.1176 10.1210 10.1210 11.7188 11.7188 11.7823 11.7823 11.7990 11.7990 12.1735 12.1735 12.1746 12.1746 12.3384 12.3384 12.4308 12.4308 12.4614 12.4614 13.0412 13.0412 13.0645 13.0645 13.8833 13.8833 14.9118 14.9118 k = 0.0000 0.0000 0.0900 ( 2601 PWs) bands (ev): 0.9991 0.9991 4.6472 4.6472 7.1573 7.1573 8.1944 8.1944 8.2060 8.2060 9.3058 9.3058 9.3258 9.3258 9.5836 9.5836 9.8209 9.8209 9.8411 9.8411 10.1198 10.1198 10.1232 10.1232 11.7260 11.7260 11.7829 11.7829 11.7886 11.7886 12.1762 12.1762 12.1777 12.1777 12.3441 12.3441 12.4298 12.4298 12.4608 12.4608 13.0330 13.0330 13.0551 13.0551 13.9099 13.9099 14.8954 14.8954 k = 0.0000 0.0000 0.1028 ( 2601 PWs) bands (ev): 1.0208 1.0208 4.5658 4.5658 7.2248 7.2248 8.1992 8.1992 8.2108 8.2108 9.2698 9.2698 9.2893 9.2893 9.5925 9.5925 9.8520 9.8520 9.8723 9.8723 10.1223 10.1223 10.1257 10.1257 11.7343 11.7343 11.7651 11.7651 11.7957 11.7957 12.1793 12.1793 12.1813 12.1813 12.3482 12.3482 12.4288 12.4288 12.4601 12.4601 13.0237 13.0237 13.0445 13.0445 13.9420 13.9420 14.8781 14.8781 k = 0.0000 0.0000 0.1157 ( 2595 PWs) bands (ev): 1.0453 1.0453 4.4794 4.4794 7.2959 7.2959 8.2048 8.2048 8.2164 8.2164 9.2340 9.2340 9.2530 9.2530 9.6019 9.6019 9.8823 9.8823 9.9027 9.9027 10.1251 10.1251 10.1286 10.1286 11.7419 11.7419 11.7475 11.7475 11.8038 11.8038 12.1828 12.1828 12.1854 12.1854 12.3501 12.3501 12.4276 12.4276 12.4593 12.4593 13.0133 13.0133 13.0325 13.0325 13.9798 13.9798 14.8603 14.8603 k = 0.0000 0.0000 0.1285 ( 2583 PWs) bands (ev): 1.0726 1.0726 4.3889 4.3889 7.3696 7.3696 8.2110 8.2110 8.2226 8.2226 9.1983 9.1983 9.2169 9.2169 9.6118 9.6118 9.9115 9.9115 9.9319 9.9319 10.1283 10.1283 10.1318 10.1318 11.7244 11.7244 11.7548 11.7548 11.8129 11.8129 12.1866 12.1866 12.1899 12.1899 12.3493 12.3493 12.4263 12.4263 12.4584 12.4584 13.0019 13.0019 13.0194 13.0194 14.0233 14.0233 14.8431 14.8431 k = 0.0000 0.0000 0.1414 ( 2565 PWs) bands (ev): 1.1027 1.1027 4.2952 4.2952 7.4452 7.4452 8.2178 8.2178 8.2294 8.2294 9.1630 9.1630 9.1812 9.1812 9.6219 9.6219 9.9397 9.9397 9.9601 9.9601 10.1319 10.1319 10.1355 10.1355 11.7029 11.7029 11.7662 11.7662 11.8228 11.8228 12.1908 12.1908 12.1948 12.1948 12.3452 12.3452 12.4251 12.4251 12.4575 12.4575 12.9894 12.9894 13.0051 13.0051 14.0721 14.0721 14.8275 14.8275 k = 0.0000 0.0000 0.1542 ( 2565 PWs) bands (ev): 1.1355 1.1355 4.1992 4.1992 7.5219 7.5219 8.2253 8.2253 8.2368 8.2368 9.1279 9.1279 9.1457 9.1457 9.6318 9.6318 9.9666 9.9666 9.9868 9.9868 10.1355 10.1355 10.1392 10.1392 11.6805 11.6805 11.7787 11.7787 11.8334 11.8334 12.1951 12.1951 12.1998 12.1998 12.3376 12.3376 12.4237 12.4237 12.4562 12.4562 12.9759 12.9759 12.9897 12.9897 14.1252 14.1252 14.8148 14.8148 k = 0.0000 0.0000 0.1671 ( 2565 PWs) bands (ev): 1.1711 1.1711 4.1013 4.1013 7.5992 7.5992 8.2333 8.2333 8.2449 8.2449 9.0933 9.0933 9.1108 9.1108 9.6412 9.6412 9.9923 9.9923 10.0122 10.0122 10.1395 10.1395 10.1433 10.1433 11.6579 11.6579 11.7921 11.7921 11.8448 11.8448 12.1995 12.1995 12.2051 12.2051 12.3261 12.3261 12.4222 12.4222 12.4547 12.4547 12.9617 12.9617 12.9733 12.9733 14.1810 14.1810 14.8071 14.8071 k = 0.0000 0.0000 0.1799 ( 2565 PWs) bands (ev): 1.2093 1.2093 4.0022 4.0022 7.6767 7.6767 8.2420 8.2420 8.2536 8.2536 9.0592 9.0592 9.0763 9.0763 9.6498 9.6498 10.0166 10.0166 10.0361 10.0361 10.1436 10.1436 10.1477 10.1477 11.6355 11.6355 11.8065 11.8065 11.8569 11.8569 12.2041 12.2041 12.2104 12.2104 12.3108 12.3108 12.4206 12.4206 12.4529 12.4529 12.9466 12.9466 12.9561 12.9561 14.2368 14.2368 14.8070 14.8070 k = 0.0000 0.0000 0.1928 ( 2553 PWs) bands (ev): 1.2501 1.2501 3.9024 3.9024 7.7540 7.7540 8.2514 8.2514 8.2629 8.2629 9.0257 9.0257 9.0425 9.0425 9.6575 9.6575 10.0395 10.0395 10.0585 10.0585 10.1480 10.1480 10.1523 10.1523 11.6139 11.6139 11.8220 11.8220 11.8699 11.8699 12.2088 12.2088 12.2159 12.2159 12.2917 12.2917 12.4192 12.4192 12.4509 12.4509 12.9310 12.9310 12.9381 12.9381 14.2890 14.2890 14.8180 14.8180 k = 0.0000 0.0000 0.2056 ( 2553 PWs) bands (ev): 1.2935 1.2935 3.8022 3.8022 7.8307 7.8307 8.2613 8.2613 8.2728 8.2728 8.9928 8.9928 9.0093 9.0093 9.6635 9.6635 10.0609 10.0609 10.0793 10.0793 10.1525 10.1525 10.1571 10.1571 11.5935 11.5935 11.8381 11.8381 11.8834 11.8834 12.2136 12.2136 12.2212 12.2212 12.2690 12.2690 12.4176 12.4176 12.4488 12.4488 12.9147 12.9147 12.9195 12.9195 14.3332 14.3332 14.8436 14.8436 k = 0.0000 0.0000 0.2185 ( 2547 PWs) bands (ev): 1.3394 1.3394 3.7022 3.7022 7.9066 7.9066 8.2718 8.2718 8.2834 8.2834 8.9606 8.9606 8.9768 8.9768 9.6680 9.6680 10.0808 10.0808 10.0984 10.0984 10.1572 10.1572 10.1622 10.1622 11.5750 11.5750 11.8550 11.8550 11.8974 11.8974 12.2182 12.2182 12.2259 12.2259 12.2433 12.2433 12.4159 12.4159 12.4465 12.4465 12.8980 12.8980 12.9004 12.9004 14.3661 14.3661 14.8862 14.8862 k = 0.0000 0.0000 0.2313 ( 2547 PWs) bands (ev): 1.3877 1.3877 3.6025 3.6025 7.9812 7.9812 8.2829 8.2829 8.2945 8.2945 8.9291 8.9291 8.9450 8.9450 9.6701 9.6701 10.0991 10.0991 10.1159 10.1159 10.1620 10.1620 10.1675 10.1675 11.5586 11.5586 11.8725 11.8725 11.9118 11.9118 12.2124 12.2124 12.2228 12.2228 12.2322 12.2322 12.4143 12.4143 12.4441 12.4441 12.8809 12.8809 12.8810 12.8810 14.3869 14.3869 14.9450 14.9450 k = 0.0000 0.0000 0.2442 ( 2547 PWs) bands (ev): 1.4382 1.4382 3.5036 3.5036 8.0544 8.0544 8.2945 8.2945 8.3061 8.3061 8.8985 8.8985 8.9142 8.9142 9.6697 9.6697 10.1158 10.1158 10.1316 10.1316 10.1668 10.1668 10.1729 10.1729 11.5451 11.5451 11.8906 11.8906 11.9267 11.9267 12.1807 12.1807 12.2272 12.2272 12.2360 12.2360 12.4128 12.4128 12.4418 12.4418 12.8613 12.8613 12.8639 12.8639 14.3974 14.3974 15.0163 15.0163 k = 0.0000 0.0000 0.2570 ( 2547 PWs) bands (ev): 1.4909 1.4909 3.4058 3.4058 8.1256 8.1256 8.3067 8.3067 8.3183 8.3183 8.8687 8.8687 8.8842 8.8842 9.6666 9.6666 10.1310 10.1310 10.1455 10.1455 10.1716 10.1716 10.1785 10.1785 11.5349 11.5349 11.9089 11.9089 11.9417 11.9417 12.1464 12.1464 12.2313 12.2313 12.2396 12.2396 12.4112 12.4112 12.4396 12.4396 12.8418 12.8418 12.8469 12.8469 14.4004 14.4004 15.0942 15.0942 k = 0.0000 0.0000 0.2699 ( 2547 PWs) bands (ev): 1.5456 1.5456 3.3095 3.3095 8.1946 8.1946 8.3192 8.3192 8.3309 8.3309 8.8400 8.8400 8.8553 8.8553 9.6609 9.6609 10.1446 10.1446 10.1577 10.1577 10.1764 10.1764 10.1842 10.1842 11.5284 11.5284 11.9270 11.9270 11.9569 11.9569 12.1105 12.1105 12.2350 12.2350 12.2423 12.2423 12.4098 12.4098 12.4375 12.4375 12.8225 12.8225 12.8300 12.8300 14.3987 14.3987 15.1727 15.1727 k = 0.0000 0.0000 0.2828 ( 2553 PWs) bands (ev): 1.6020 1.6020 3.2150 3.2150 8.2608 8.2608 8.3320 8.3320 8.3439 8.3439 8.8123 8.8123 8.8275 8.8275 9.6524 9.6524 10.1566 10.1566 10.1683 10.1683 10.1811 10.1811 10.1899 10.1899 11.5261 11.5261 11.9438 11.9438 11.9719 11.9719 12.0745 12.0745 12.2383 12.2383 12.2439 12.2439 12.4084 12.4084 12.4356 12.4356 12.8037 12.8037 12.8136 12.8136 14.3942 14.3942 15.2462 15.2462 k = 0.0000 0.0000 0.2956 ( 2565 PWs) bands (ev): 1.6598 1.6598 3.1228 3.1228 8.3230 8.3230 8.3451 8.3451 8.3579 8.3579 8.7860 8.7860 8.8010 8.8010 9.6410 9.6410 10.1670 10.1670 10.1772 10.1772 10.1856 10.1856 10.1956 10.1956 11.5278 11.5278 11.9559 11.9559 11.9866 11.9866 12.0417 12.0417 12.2412 12.2412 12.2443 12.2443 12.4071 12.4071 12.4341 12.4341 12.7857 12.7857 12.7978 12.7978 14.3883 14.3883 15.3100 15.3100 k = 0.0000 0.0000 0.3085 ( 2564 PWs) bands (ev): 1.7185 1.7185 3.0335 3.0335 8.3583 8.3583 8.3667 8.3667 8.3866 8.3866 8.7610 8.7610 8.7759 8.7759 9.6279 9.6279 10.1760 10.1760 10.1848 10.1848 10.1899 10.1899 10.2009 10.2009 11.5343 11.5343 11.9523 11.9523 12.0007 12.0007 12.0238 12.0238 12.2434 12.2434 12.2435 12.2435 12.4059 12.4059 12.4329 12.4329 12.7689 12.7689 12.7831 12.7831 14.3819 14.3819 15.3618 15.3618 k = 0.0000 0.0000 0.3213 ( 2576 PWs) bands (ev): 1.7775 1.7775 2.9478 2.9478 8.3713 8.3713 8.3816 8.3816 8.4392 8.4392 8.7376 8.7376 8.7524 8.7524 9.6133 9.6133 10.1835 10.1835 10.1911 10.1911 10.1939 10.1939 10.2056 10.2056 11.5453 11.5453 11.9254 11.9254 12.0140 12.0140 12.0280 12.0280 12.2410 12.2410 12.2452 12.2452 12.4049 12.4049 12.4320 12.4320 12.7534 12.7534 12.7695 12.7695 14.3756 14.3756 15.4014 15.4014 k = 0.0000 0.0000 0.3342 ( 2570 PWs) bands (ev): 1.8358 1.8358 2.8669 2.8669 8.3839 8.3839 8.3945 8.3945 8.4880 8.4880 8.7164 8.7164 8.7311 8.7311 9.5981 9.5981 10.1897 10.1897 10.1965 10.1965 10.1975 10.1975 10.2097 10.2097 11.5609 11.5609 11.8886 11.8886 12.0262 12.0262 12.0416 12.0416 12.2374 12.2374 12.2465 12.2465 12.4041 12.4041 12.4316 12.4316 12.7396 12.7396 12.7575 12.7575 14.3698 14.3698 15.4304 15.4304 k = 0.0000 0.0000 0.3470 ( 2564 PWs) bands (ev): 1.8918 1.8918 2.7922 2.7922 8.3956 8.3956 8.4063 8.4063 8.5304 8.5304 8.6976 8.6976 8.7123 8.7123 9.5833 9.5833 10.1948 10.1948 10.2006 10.2006 10.2011 10.2011 10.2130 10.2130 11.5806 11.5806 11.8491 11.8491 12.0369 12.0369 12.0569 12.0569 12.2326 12.2326 12.2474 12.2474 12.4034 12.4034 12.4314 12.4314 12.7279 12.7279 12.7473 12.7473 14.3648 14.3648 15.4509 15.4509 k = 0.0000 0.0000 0.3599 ( 2564 PWs) bands (ev): 1.9430 1.9430 2.7264 2.7264 8.4058 8.4058 8.4165 8.4165 8.5652 8.5652 8.6818 8.6818 8.6965 8.6965 9.5699 9.5699 10.1987 10.1987 10.2029 10.2029 10.2048 10.2048 10.2153 10.2153 11.6043 11.6043 11.8091 11.8091 12.0457 12.0457 12.0712 12.0712 12.2272 12.2272 12.2478 12.2478 12.4029 12.4029 12.4315 12.4315 12.7184 12.7184 12.7390 12.7390 14.3608 14.3608 15.4648 15.4648 k = 0.0000 0.0000 0.3727 ( 2564 PWs) bands (ev): 1.9859 1.9859 2.6731 2.6731 8.4140 8.4140 8.4246 8.4246 8.5911 8.5911 8.6697 8.6697 8.6844 8.6844 9.5592 9.5592 10.2016 10.2016 10.2045 10.2045 10.2076 10.2076 10.2168 10.2168 11.6317 11.6317 11.7699 11.7699 12.0522 12.0522 12.0831 12.0831 12.2221 12.2221 12.2480 12.2480 12.4025 12.4025 12.4316 12.4316 12.7114 12.7114 12.7329 12.7329 14.3578 14.3578 15.4737 15.4737 k = 0.0000 0.0000 0.3856 ( 2564 PWs) bands (ev): 2.0152 2.0152 2.6375 2.6375 8.4192 8.4192 8.4299 8.4299 8.6072 8.6072 8.6621 8.6621 8.6768 8.6768 9.5523 9.5523 10.2036 10.2036 10.2053 10.2053 10.2095 10.2095 10.2175 10.2175 11.6624 11.6624 11.7320 11.7320 12.0563 12.0563 12.0911 12.0911 12.2183 12.2183 12.2482 12.2482 12.4023 12.4023 12.4317 12.4317 12.7069 12.7069 12.7289 12.7289 14.3560 14.3560 15.4787 15.4787 k = 0.0000 0.0000 0.3984 ( 2564 PWs) bands (ev): 2.0258 2.0258 2.6248 2.6248 8.4211 8.4211 8.4317 8.4317 8.6126 8.6126 8.6595 8.6595 8.6742 8.6742 9.5499 9.5499 10.2043 10.2043 10.2054 10.2054 10.2102 10.2102 10.2177 10.2177 11.6941 11.6941 11.6979 11.6979 12.0577 12.0577 12.0939 12.0939 12.2168 12.2168 12.2482 12.2482 12.4023 12.4023 12.4318 12.4318 12.7055 12.7055 12.7276 12.7276 14.3554 14.3554 15.4803 15.4803 k = 0.0000 0.0000 0.3984 ( 2564 PWs) bands (ev): 2.0258 2.0258 2.6248 2.6248 8.4211 8.4211 8.4317 8.4317 8.6126 8.6126 8.6595 8.6595 8.6742 8.6742 9.5499 9.5499 10.2043 10.2043 10.2054 10.2054 10.2102 10.2102 10.2177 10.2177 11.6941 11.6941 11.6979 11.6979 12.0577 12.0577 12.0939 12.0939 12.2168 12.2168 12.2482 12.2482 12.4023 12.4023 12.4318 12.4318 12.7055 12.7055 12.7276 12.7276 14.3554 14.3554 15.4803 15.4803 k = 0.0111 0.0064 0.3984 ( 2560 PWs) bands (ev): 2.0271 2.0271 2.6261 2.6261 8.4194 8.4194 8.4306 8.4306 8.5988 8.5988 8.6648 8.6648 8.6825 8.6825 9.5500 9.5500 10.2033 10.2033 10.2037 10.2037 10.2131 10.2131 10.2193 10.2193 11.6932 11.6932 11.6983 11.6983 12.0549 12.0549 12.0911 12.0911 12.2185 12.2185 12.2499 12.2499 12.4014 12.4014 12.4309 12.4309 12.7050 12.7050 12.7272 12.7272 14.3559 14.3559 15.4771 15.4771 k = 0.0222 0.0128 0.3984 ( 2560 PWs) bands (ev): 2.0310 2.0310 2.6300 2.6300 8.4117 8.4117 8.4300 8.4300 8.5721 8.5721 8.6693 8.6693 8.7041 8.7041 9.5502 9.5502 10.2004 10.2004 10.2024 10.2024 10.2184 10.2184 10.2233 10.2233 11.6908 11.6908 11.6991 11.6991 12.0466 12.0466 12.0830 12.0830 12.2229 12.2229 12.2545 12.2545 12.3988 12.3988 12.4283 12.4283 12.7035 12.7035 12.7260 12.7260 14.3574 14.3574 15.4672 15.4672 k = 0.0333 0.0192 0.3984 ( 2556 PWs) bands (ev): 2.0375 2.0375 2.6365 2.6365 8.3963 8.3963 8.4315 8.4315 8.5418 8.5418 8.6740 8.6740 8.7289 8.7289 9.5505 9.5505 10.1981 10.1981 10.2015 10.2015 10.2246 10.2246 10.2292 10.2292 11.6872 11.6872 11.7001 11.7001 12.0340 12.0340 12.0706 12.0706 12.2292 12.2292 12.2612 12.2612 12.3946 12.3946 12.4240 12.4240 12.7006 12.7006 12.7240 12.7240 14.3596 14.3596 15.4494 15.4494 k = 0.0444 0.0257 0.3984 ( 2556 PWs) bands (ev): 2.0466 2.0466 2.6456 2.6456 8.3742 8.3742 8.4344 8.4344 8.5098 8.5098 8.6801 8.6801 8.7537 8.7537 9.5507 9.5507 10.1962 10.1962 10.2013 10.2013 10.2313 10.2313 10.2368 10.2368 11.6821 11.6821 11.7011 11.7011 12.0179 12.0179 12.0551 12.0551 12.2362 12.2362 12.2692 12.2692 12.3887 12.3887 12.4180 12.4180 12.6960 12.6960 12.7216 12.7216 14.3623 14.3623 15.4222 15.4222 k = 0.0556 0.0321 0.3984 ( 2560 PWs) bands (ev): 2.0583 2.0583 2.6572 2.6572 8.3458 8.3458 8.4383 8.4383 8.4767 8.4767 8.6878 8.6878 8.7779 8.7779 9.5507 9.5507 10.1948 10.1948 10.2016 10.2016 10.2382 10.2382 10.2459 10.2459 11.6755 11.6755 11.7022 11.7022 11.9993 11.9993 12.0371 12.0371 12.2432 12.2432 12.2775 12.2775 12.3813 12.3813 12.4103 12.4103 12.6897 12.6897 12.7189 12.7189 14.3651 14.3651 15.3836 15.3836 k = 0.0667 0.0385 0.3984 ( 2568 PWs) bands (ev): 2.0726 2.0726 2.6714 2.6714 8.3116 8.3116 8.4388 8.4388 8.4468 8.4468 8.6970 8.6970 8.8014 8.8014 9.5502 9.5502 10.1940 10.1940 10.2026 10.2026 10.2456 10.2456 10.2564 10.2564 11.6670 11.6670 11.7033 11.7033 11.9788 11.9788 12.0176 12.0176 12.2496 12.2496 12.2855 12.2855 12.3726 12.3726 12.4012 12.4012 12.6818 12.6818 12.7161 12.7161 14.3673 14.3673 15.3327 15.3327 k = 0.0778 0.0449 0.3984 ( 2570 PWs) bands (ev): 2.0894 2.0894 2.6882 2.6882 8.2724 8.2724 8.4058 8.4058 8.4502 8.4502 8.7078 8.7078 8.8241 8.8241 9.5492 9.5492 10.1938 10.1938 10.2041 10.2041 10.2533 10.2533 10.2680 10.2680 11.6564 11.6564 11.7042 11.7042 11.9570 11.9570 11.9970 11.9970 12.2552 12.2552 12.2923 12.2923 12.3630 12.3630 12.3908 12.3908 12.6725 12.6725 12.7129 12.7129 14.3681 14.3681 15.2702 15.2702 k = 0.0889 0.0513 0.3984 ( 2572 PWs) bands (ev): 2.1088 2.1088 2.7074 2.7074 8.2285 8.2285 8.3690 8.3690 8.4571 8.4571 8.7201 8.7201 8.8459 8.8459 9.5474 9.5474 10.1943 10.1943 10.2061 10.2061 10.2615 10.2615 10.2807 10.2807 11.6437 11.6437 11.7048 11.7048 11.9343 11.9343 11.9759 11.9759 12.2598 12.2598 12.2973 12.2973 12.3529 12.3529 12.3792 12.3792 12.6619 12.6619 12.7091 12.7091 14.3662 14.3662 15.1986 15.1986 k = 0.1000 0.0577 0.3984 ( 2568 PWs) bands (ev): 2.1307 2.1307 2.7292 2.7292 8.1805 8.1805 8.3305 8.3305 8.4651 8.4651 8.7340 8.7340 8.8668 8.8668 9.5449 9.5449 10.1954 10.1954 10.2083 10.2083 10.2703 10.2703 10.2942 10.2942 11.6287 11.6287 11.7051 11.7051 11.9108 11.9108 11.9546 11.9546 12.2631 12.2631 12.2989 12.2989 12.3436 12.3436 12.3667 12.3667 12.6504 12.6504 12.7048 12.7048 14.3601 14.3601 15.1218 15.1218 k = 0.1111 0.0642 0.3984 ( 2570 PWs) bands (ev): 2.1551 2.1551 2.7534 2.7534 8.1289 8.1289 8.2904 8.2904 8.4741 8.4741 8.7494 8.7494 8.8869 8.8869 9.5415 9.5415 10.1972 10.1972 10.2106 10.2106 10.2795 10.2795 10.3084 10.3084 11.6111 11.6111 11.7046 11.7046 11.8867 11.8867 11.9333 11.9333 12.2651 12.2651 12.2956 12.2956 12.3366 12.3366 12.3537 12.3537 12.6379 12.6379 12.6997 12.6997 14.3479 14.3479 15.0433 15.0433 k = 0.1222 0.0706 0.3984 ( 2574 PWs) bands (ev): 2.1820 2.1820 2.7800 2.7800 8.0739 8.0739 8.2486 8.2486 8.4840 8.4840 8.7662 8.7662 8.9061 8.9061 9.5371 9.5371 10.1995 10.1995 10.2129 10.2129 10.2890 10.2890 10.3229 10.3229 11.5910 11.5910 11.7032 11.7032 11.8621 11.8621 11.9126 11.9126 12.2653 12.2653 12.2866 12.2866 12.3319 12.3319 12.3413 12.3413 12.6249 12.6249 12.6936 12.6936 14.3275 14.3275 14.9659 14.9659 k = 0.1333 0.0770 0.3984 ( 2580 PWs) bands (ev): 2.2114 2.2114 2.8091 2.8091 8.0160 8.0160 8.2051 8.2051 8.4949 8.4949 8.7845 8.7845 8.9244 8.9244 9.5318 9.5318 10.2024 10.2024 10.2150 10.2150 10.2989 10.2989 10.3376 10.3376 11.5685 11.5685 11.7004 11.7004 11.8372 11.8372 11.8925 11.8925 12.2625 12.2625 12.2739 12.2739 12.3247 12.3247 12.3337 12.3337 12.6115 12.6115 12.6865 12.6865 14.2973 14.2973 14.8904 14.8904 k = 0.1444 0.0834 0.3984 ( 2576 PWs) bands (ev): 2.2432 2.2432 2.8404 2.8404 7.9554 7.9554 8.1598 8.1598 8.5067 8.5067 8.8041 8.8041 8.9419 8.9419 9.5255 9.5255 10.2060 10.2060 10.2171 10.2171 10.3092 10.3092 10.3524 10.3524 11.5438 11.5438 11.6962 11.6962 11.8121 11.8121 11.8734 11.8734 12.2533 12.2533 12.2619 12.2619 12.3150 12.3150 12.3306 12.3306 12.5979 12.5979 12.6784 12.6784 14.2566 14.2566 14.8154 14.8154 k = 0.1556 0.0898 0.3984 ( 2574 PWs) bands (ev): 2.2774 2.2774 2.8741 2.8741 7.8924 7.8924 8.1129 8.1129 8.5194 8.5194 8.8250 8.8250 8.9584 8.9584 9.5184 9.5184 10.2102 10.2102 10.2188 10.2188 10.3197 10.3197 10.3672 10.3672 11.5172 11.5172 11.6899 11.6899 11.7869 11.7869 11.8554 11.8554 12.2371 12.2371 12.2514 12.2514 12.3071 12.3071 12.3276 12.3276 12.5842 12.5842 12.6690 12.6690 14.2060 14.2060 14.7379 14.7379 k = 0.1667 0.0962 0.3984 ( 2566 PWs) bands (ev): 2.3139 2.3139 2.9100 2.9100 7.8272 7.8272 8.0643 8.0643 8.5330 8.5330 8.8473 8.8473 8.9740 8.9740 9.5104 9.5104 10.2149 10.2149 10.2204 10.2204 10.3306 10.3306 10.3816 10.3816 11.4889 11.4889 11.6813 11.6813 11.7618 11.7618 11.8385 11.8385 12.2185 12.2185 12.2383 12.2383 12.3015 12.3015 12.3241 12.3241 12.5705 12.5705 12.6584 12.6584 14.1475 14.1475 14.6548 14.6548 k = 0.1778 0.1026 0.3984 ( 2566 PWs) bands (ev): 2.3528 2.3528 2.9480 2.9480 7.7598 7.7598 8.0139 8.0139 8.5474 8.5474 8.8707 8.8707 8.9884 8.9884 9.5017 9.5017 10.2188 10.2188 10.2227 10.2227 10.3416 10.3416 10.3955 10.3955 11.4591 11.4591 11.6699 11.6699 11.7370 11.7370 11.8229 11.8229 12.1988 12.1988 12.2231 12.2231 12.2964 12.2964 12.3205 12.3205 12.5570 12.5570 12.6464 12.6464 14.0834 14.0834 14.5650 14.5650 k = 0.1889 0.1091 0.3984 ( 2570 PWs) bands (ev): 2.3939 2.3939 2.9882 2.9882 7.6907 7.6907 7.9619 7.9619 8.5625 8.5625 8.8951 8.8951 9.0016 9.0016 9.4923 9.4923 10.2199 10.2199 10.2276 10.2276 10.3527 10.3527 10.4087 10.4087 11.4281 11.4281 11.6556 11.6556 11.7126 11.7126 11.8085 11.8085 12.1780 12.1780 12.2068 12.2068 12.2899 12.2899 12.3177 12.3177 12.5436 12.5436 12.6328 12.6328 14.0164 14.0164 14.4696 14.4696 k = 0.2000 0.1155 0.3984 ( 2562 PWs) bands (ev): 2.4373 2.4373 3.0303 3.0303 7.6199 7.6199 7.9082 7.9082 8.5785 8.5785 8.9208 8.9208 9.0136 9.0136 9.4824 9.4824 10.2197 10.2197 10.2341 10.2341 10.3640 10.3640 10.4212 10.4212 11.3965 11.3965 11.6385 11.6385 11.6889 11.6889 11.7953 11.7953 12.1566 12.1566 12.1903 12.1903 12.2809 12.2809 12.3166 12.3166 12.5307 12.5307 12.6180 12.6180 13.9483 13.9483 14.3704 14.3704 k = 0.2111 0.1219 0.3984 ( 2562 PWs) bands (ev): 2.4828 2.4828 3.0744 3.0744 7.5475 7.5475 7.8528 7.8528 8.5951 8.5951 8.9473 8.9473 9.0241 9.0241 9.4720 9.4720 10.2185 10.2185 10.2413 10.2413 10.3753 10.3753 10.4326 10.4326 11.3642 11.3642 11.6189 11.6189 11.6658 11.6658 11.7830 11.7830 12.1344 12.1344 12.1742 12.1742 12.2690 12.2690 12.3169 12.3169 12.5184 12.5184 12.6015 12.6015 13.8806 13.8806 14.2693 14.2693 k = 0.2222 0.1283 0.3984 ( 2566 PWs) bands (ev): 2.5304 2.5304 3.1203 3.1203 7.4737 7.4737 7.7959 7.7959 8.6124 8.6124 8.9748 8.9748 9.0331 9.0331 9.4614 9.4614 10.2167 10.2167 10.2490 10.2490 10.3866 10.3866 10.4431 10.4431 11.3317 11.3317 11.5973 11.5973 11.6430 11.6430 11.7714 11.7714 12.1116 12.1116 12.1590 12.1590 12.2545 12.2545 12.3181 12.3181 12.5067 12.5067 12.5835 12.5835 13.8145 13.8145 14.1678 14.1678 k = 0.2333 0.1347 0.3984 ( 2566 PWs) bands (ev): 2.5800 2.5800 3.1680 3.1680 7.3988 7.3988 7.7373 7.7373 8.6302 8.6302 9.0032 9.0032 9.0403 9.0403 9.4508 9.4508 10.2142 10.2142 10.2573 10.2573 10.3977 10.3977 10.4524 10.4524 11.2991 11.2991 11.5746 11.5746 11.6204 11.6204 11.7603 11.7603 12.0881 12.0881 12.1451 12.1451 12.2380 12.2380 12.3201 12.3201 12.4955 12.4955 12.5640 12.5640 13.7507 13.7507 14.0672 14.0672 k = 0.2444 0.1411 0.3984 ( 2566 PWs) bands (ev): 2.6316 2.6316 3.2172 3.2172 7.3228 7.3228 7.6772 7.6772 8.6486 8.6486 9.0319 9.0319 9.0461 9.0461 9.4401 9.4401 10.2111 10.2111 10.2662 10.2662 10.4087 10.4087 10.4606 10.4606 11.2666 11.2666 11.5512 11.5512 11.5979 11.5979 11.7498 11.7498 12.0641 12.0641 12.1327 12.1327 12.2195 12.2195 12.3225 12.3225 12.4849 12.4849 12.5432 12.5432 13.6895 13.6895 13.9682 13.9682 k = 0.2556 0.1475 0.3984 ( 2566 PWs) bands (ev): 2.6850 2.6850 3.2679 3.2679 7.2460 7.2460 7.6157 7.6157 8.6675 8.6675 9.0483 9.0483 9.0630 9.0630 9.4296 9.4296 10.2074 10.2074 10.2756 10.2756 10.4194 10.4194 10.4676 10.4676 11.2345 11.2345 11.5277 11.5277 11.5754 11.5754 11.7400 11.7400 12.0397 12.0397 12.1218 12.1218 12.1994 12.1994 12.3253 12.3253 12.4747 12.4747 12.5211 12.5211 13.6313 13.6313 13.8715 13.8715 k = 0.2667 0.1540 0.3984 ( 2568 PWs) bands (ev): 2.7402 2.7402 3.3198 3.3198 7.1685 7.1685 7.5527 7.5527 8.6867 8.6867 9.0501 9.0501 9.0930 9.0930 9.4195 9.4195 10.2032 10.2032 10.2853 10.2853 10.4298 10.4298 10.4734 10.4734 11.2029 11.2029 11.5042 11.5042 11.5529 11.5529 11.7308 11.7308 12.0150 12.0150 12.1127 12.1127 12.1779 12.1779 12.3282 12.3282 12.4642 12.4642 12.4990 12.4990 13.5759 13.5759 13.7776 13.7776 k = 0.2778 0.1604 0.3984 ( 2576 PWs) bands (ev): 2.7970 2.7970 3.3729 3.3729 7.0906 7.0906 7.4884 7.4884 8.7063 8.7063 9.0495 9.0495 9.1238 9.1238 9.4097 9.4097 10.1988 10.1988 10.2955 10.2955 10.4395 10.4395 10.4780 10.4780 11.1717 11.1717 11.4811 11.4811 11.5304 11.5304 11.7224 11.7224 11.9899 11.9899 12.1051 12.1051 12.1553 12.1553 12.3313 12.3313 12.4509 12.4509 12.4789 12.4789 13.5233 13.5233 13.6869 13.6869 k = 0.2889 0.1668 0.3984 ( 2580 PWs) bands (ev): 2.8554 2.8554 3.4269 3.4269 7.0124 7.0124 7.4229 7.4229 8.7261 8.7261 9.0468 9.0468 9.1551 9.1551 9.4003 9.4003 10.1942 10.1942 10.3060 10.3060 10.4487 10.4487 10.4815 10.4815 11.1414 11.1414 11.4585 11.4585 11.5081 11.5081 11.7152 11.7152 11.9648 11.9648 12.0992 12.0992 12.1321 12.1321 12.3344 12.3344 12.4313 12.4313 12.4649 12.4649 13.4730 13.4730 13.6000 13.6000 k = 0.3000 0.1732 0.3984 ( 2576 PWs) bands (ev): 2.9151 2.9151 3.4815 3.4815 6.9343 6.9343 7.3563 7.3563 8.7461 8.7461 9.0422 9.0422 9.1866 9.1866 9.3914 9.3914 10.1898 10.1898 10.3169 10.3169 10.4570 10.4570 10.4844 10.4844 11.1119 11.1119 11.4366 11.4366 11.4863 11.4863 11.7093 11.7093 11.9396 11.9396 12.0933 12.0933 12.1099 12.1099 12.3375 12.3375 12.4062 12.4062 12.4561 12.4561 13.4241 13.4241 13.5180 13.5180 k = 0.3111 0.1796 0.3984 ( 2572 PWs) bands (ev): 2.9761 2.9761 3.5366 3.5366 6.8566 6.8566 7.2888 7.2888 8.7660 8.7660 9.0359 9.0359 9.2182 9.2182 9.3828 9.3828 10.1857 10.1857 10.3279 10.3279 10.4639 10.4639 10.4869 10.4869 11.0834 11.0834 11.4156 11.4156 11.4649 11.4649 11.7050 11.7050 11.9145 11.9145 12.0782 12.0782 12.0983 12.0983 12.3406 12.3406 12.3784 12.3784 12.4499 12.4499 13.3743 13.3743 13.4431 13.4431 k = 0.3222 0.1860 0.3984 ( 2572 PWs) bands (ev): 3.0382 3.0382 3.5917 3.5917 6.7794 6.7794 7.2205 7.2205 8.7858 8.7858 9.0280 9.0280 9.2497 9.2497 9.3745 9.3745 10.1820 10.1820 10.3389 10.3389 10.4689 10.4689 10.4896 10.4896 11.0559 11.0559 11.3955 11.3955 11.4440 11.4440 11.7022 11.7022 11.8897 11.8897 12.0546 12.0546 12.0966 12.0966 12.3432 12.3432 12.3496 12.3496 12.4451 12.4451 13.3186 13.3186 13.3802 13.3802 k = 0.3333 0.1925 0.3984 ( 2576 PWs) bands (ev): 3.1012 3.1012 3.6466 3.6466 6.7033 6.7033 7.1517 7.1517 8.8053 8.8053 9.0187 9.0187 9.2809 9.2809 9.3666 9.3666 10.1788 10.1788 10.3500 10.3500 10.4715 10.4715 10.4931 10.4931 11.0294 11.0294 11.3764 11.3764 11.4239 11.4239 11.7012 11.7012 11.8652 11.8652 12.0299 12.0299 12.0974 12.0974 12.3192 12.3192 12.3466 12.3466 12.4411 12.4411 13.2550 13.2550 13.3312 13.3312 k = 0.3444 0.1989 0.3984 ( 2580 PWs) bands (ev): 3.1647 3.1647 3.7009 3.7009 6.6286 6.6286 7.0827 7.0827 8.8246 8.8246 9.0085 9.0085 9.3113 9.3113 9.3591 9.3591 10.1763 10.1763 10.3609 10.3609 10.4719 10.4719 10.4972 10.4972 11.0040 11.0040 11.3584 11.3584 11.4046 11.4046 11.7019 11.7019 11.8414 11.8414 12.0051 12.0051 12.0999 12.0999 12.2890 12.2890 12.3492 12.3492 12.4377 12.4377 13.1886 13.1886 13.2910 13.2910 k = 0.3556 0.2053 0.3984 ( 2580 PWs) bands (ev): 3.2287 3.2287 3.7541 3.7541 6.5558 6.5558 7.0137 7.0137 8.8433 8.8433 8.9977 8.9977 9.3376 9.3376 9.3553 9.3553 10.1746 10.1746 10.3716 10.3716 10.4709 10.4709 10.5016 10.5016 10.9798 10.9798 11.3415 11.3415 11.3864 11.3864 11.7042 11.7042 11.8185 11.8185 11.9808 11.9808 12.1037 12.1037 12.2589 12.2589 12.3517 12.3517 12.4349 12.4349 13.1232 13.1232 13.2558 13.2558 k = 0.3667 0.2117 0.3984 ( 2580 PWs) bands (ev): 3.2927 3.2927 3.8057 3.8057 6.4853 6.4853 6.9451 6.9451 8.8614 8.8614 8.9864 8.9864 9.3396 9.3396 9.3752 9.3752 10.1737 10.1737 10.3819 10.3819 10.4689 10.4689 10.5059 10.5059 10.9568 10.9568 11.3259 11.3259 11.3693 11.3693 11.7079 11.7079 11.7967 11.7967 11.9572 11.9572 12.1084 12.1084 12.2295 12.2295 12.3540 12.3540 12.4323 12.4323 13.0604 13.0604 13.2239 13.2239 k = 0.3778 0.2181 0.3984 ( 2576 PWs) bands (ev): 3.3564 3.3564 3.8552 3.8552 6.4179 6.4179 6.8775 6.8775 8.8787 8.8787 8.9751 8.9751 9.3328 9.3328 9.4030 9.4030 10.1736 10.1736 10.3916 10.3916 10.4664 10.4664 10.5098 10.5098 10.9351 10.9351 11.3114 11.3114 11.3534 11.3534 11.7125 11.7125 11.7766 11.7766 11.9346 11.9346 12.1134 12.1134 12.2014 12.2014 12.3560 12.3560 12.4300 12.4300 13.0010 13.0010 13.1949 13.1949 k = 0.3889 0.2245 0.3984 ( 2576 PWs) bands (ev): 3.4195 3.4195 3.9020 3.9020 6.3539 6.3539 6.8111 6.8111 8.8950 8.8950 8.9641 8.9641 9.3254 9.3254 9.4303 9.4303 10.1742 10.1742 10.4005 10.4005 10.4636 10.4636 10.5134 10.5134 10.9147 10.9147 11.2980 11.2980 11.3390 11.3390 11.7165 11.7165 11.7596 11.7596 11.9133 11.9133 12.1171 12.1171 12.1762 12.1762 12.3578 12.3578 12.4276 12.4276 12.9453 12.9453 13.1682 13.1682 k = 0.4000 0.2309 0.3984 ( 2576 PWs) bands (ev): 3.4813 3.4813 3.9454 3.9454 6.2943 6.2943 6.7467 6.7467 8.9100 8.9100 8.9537 8.9537 9.3180 9.3180 9.4564 9.4564 10.1755 10.1755 10.4083 10.4083 10.4607 10.4607 10.5168 10.5168 10.8956 10.8956 11.2858 11.2858 11.3261 11.3261 11.7158 11.7158 11.7497 11.7497 11.8934 11.8934 12.1153 12.1153 12.1584 12.1584 12.3594 12.3594 12.4252 12.4252 12.8937 12.8937 13.1439 13.1439 k = 0.4111 0.2374 0.3984 ( 2576 PWs) bands (ev): 3.5413 3.5413 3.9848 3.9848 6.2395 6.2395 6.6849 6.6849 8.9226 8.9226 8.9451 8.9451 9.3109 9.3109 9.4808 9.4808 10.1772 10.1772 10.4150 10.4150 10.4580 10.4580 10.5200 10.5200 10.8780 10.8780 11.2747 11.2747 11.3148 11.3148 11.7067 11.7067 11.7503 11.7503 11.8754 11.8754 12.1023 12.1023 12.1538 12.1538 12.3607 12.3607 12.4225 12.4225 12.8464 12.8464 13.1218 13.1218 k = 0.4222 0.2438 0.3984 ( 2578 PWs) bands (ev): 3.5989 3.5989 4.0194 4.0194 6.1902 6.1902 6.6265 6.6265 8.9272 8.9272 8.9441 8.9441 9.3042 9.3042 9.5033 9.5033 10.1791 10.1791 10.4204 10.4204 10.4555 10.4555 10.5231 10.5231 10.8620 10.8620 11.2648 11.2648 11.3050 11.3050 11.6940 11.6940 11.7566 11.7566 11.8594 11.8594 12.0830 12.0830 12.1572 12.1572 12.3618 12.3618 12.4196 12.4196 12.8039 12.8039 13.1021 13.1021 k = 0.4333 0.2502 0.3984 ( 2578 PWs) bands (ev): 3.6532 3.6532 4.0489 4.0489 6.1470 6.1470 6.5724 6.5724 8.9217 8.9217 8.9526 8.9526 9.2980 9.2980 9.5236 9.5236 10.1813 10.1813 10.4246 10.4246 10.4533 10.4533 10.5262 10.5262 10.8477 10.8477 11.2561 11.2561 11.2967 11.2967 11.6814 11.6814 11.7643 11.7643 11.8458 11.8458 12.0634 12.0634 12.1631 12.1631 12.3628 12.3628 12.4164 12.4164 12.7663 12.7663 13.0848 13.0848 k = 0.4444 0.2566 0.3984 ( 2566 PWs) bands (ev): 3.7031 3.7031 4.0728 4.0728 6.1105 6.1105 6.5235 6.5235 8.9150 8.9150 8.9619 8.9619 9.2926 9.2926 9.5414 9.5414 10.1835 10.1835 10.4276 10.4276 10.4516 10.4516 10.5294 10.5294 10.8352 10.8352 11.2487 11.2487 11.2901 11.2901 11.6701 11.6701 11.7717 11.7717 11.8351 11.8351 12.0454 12.0454 12.1694 12.1694 12.3638 12.3638 12.4128 12.4128 12.7342 12.7342 13.0700 13.0700 k = 0.4556 0.2630 0.3984 ( 2564 PWs) bands (ev): 3.7474 3.7474 4.0909 4.0909 6.0808 6.0808 6.4811 6.4811 8.9090 8.9090 8.9700 8.9700 9.2880 9.2880 9.5564 9.5564 10.1854 10.1854 10.4296 10.4296 10.4501 10.4501 10.5322 10.5322 10.8248 10.8248 11.2424 11.2424 11.2847 11.2847 11.6605 11.6605 11.7775 11.7775 11.8276 11.8276 12.0299 12.0299 12.1752 12.1752 12.3646 12.3646 12.4091 12.4091 12.7077 12.7077 13.0577 13.0577 k = 0.4667 0.2694 0.3984 ( 2564 PWs) bands (ev): 3.7846 3.7846 4.1037 4.1037 6.0581 6.0581 6.4463 6.4463 8.9042 8.9042 8.9765 8.9765 9.2843 9.2843 9.5683 9.5683 10.1871 10.1871 10.4307 10.4307 10.4490 10.4490 10.5346 10.5346 10.8164 10.8164 11.2375 11.2375 11.2806 11.2806 11.6528 11.6528 11.7809 11.7809 11.8236 11.8236 12.0173 12.0173 12.1802 12.1802 12.3654 12.3654 12.4054 12.4054 12.6870 12.6870 13.0480 13.0480 k = 0.4778 0.2758 0.3984 ( 2568 PWs) bands (ev): 3.8131 3.8131 4.1117 4.1117 6.0421 6.0421 6.4203 6.4203 8.9007 8.9007 8.9812 8.9812 9.2816 9.2816 9.5770 9.5770 10.1883 10.1883 10.4313 10.4313 10.4481 10.4481 10.5365 10.5365 10.8103 10.8103 11.2339 11.2339 11.2777 11.2777 11.6473 11.6473 11.7820 11.7820 11.8224 11.8224 12.0081 12.0081 12.1839 12.1839 12.3663 12.3663 12.4022 12.4022 12.6722 12.6722 13.0410 13.0410 k = 0.4889 0.2823 0.3984 ( 2576 PWs) bands (ev): 3.8311 3.8311 4.1158 4.1158 6.0327 6.0327 6.4042 6.4042 8.8985 8.8985 8.9840 8.9840 9.2799 9.2799 9.5822 9.5822 10.1889 10.1889 10.4316 10.4316 10.4477 10.4477 10.5377 10.5377 10.8066 10.8066 11.2318 11.2318 11.2760 11.2760 11.6439 11.6439 11.7820 11.7820 11.8226 11.8226 12.0024 12.0024 12.1862 12.1862 12.3668 12.3668 12.3999 12.3999 12.6633 12.6633 13.0367 13.0367 k = 0.5000 0.2887 0.3984 ( 2584 PWs) bands (ev): 3.8373 3.8373 4.1171 4.1171 6.0296 6.0296 6.3988 6.3988 8.8977 8.8977 8.9850 8.9850 9.2793 9.2793 9.5840 9.5840 10.1891 10.1891 10.4317 10.4317 10.4475 10.4475 10.5381 10.5381 10.8052 10.8052 11.2310 11.2310 11.2754 11.2754 11.6428 11.6428 11.7818 11.7818 11.8227 11.8227 12.0005 12.0005 12.1870 12.1870 12.3669 12.3669 12.3990 12.3990 12.6603 12.6603 13.0352 13.0352 k = 0.5000 0.2887 0.3984 ( 2584 PWs) bands (ev): 3.8373 3.8373 4.1171 4.1171 6.0296 6.0296 6.3988 6.3988 8.8977 8.8977 8.9850 8.9850 9.2793 9.2793 9.5840 9.5840 10.1891 10.1891 10.4317 10.4317 10.4475 10.4475 10.5381 10.5381 10.8052 10.8052 11.2310 11.2310 11.2754 11.2754 11.6428 11.6428 11.7818 11.7818 11.8227 11.8227 12.0005 12.0005 12.1870 12.1870 12.3669 12.3669 12.3990 12.3990 12.6603 12.6603 13.0352 13.0352 k = 0.4936 0.2998 0.3984 ( 2582 PWs) bands (ev): 3.8381 3.8381 4.1177 4.1177 6.0310 6.0310 6.3998 6.3998 8.8958 8.8958 8.9723 8.9723 9.2879 9.2879 9.5802 9.5802 10.1929 10.1929 10.4254 10.4254 10.4549 10.4549 10.5381 10.5381 10.8046 10.8046 11.2297 11.2297 11.2754 11.2754 11.6447 11.6447 11.7811 11.7811 11.8217 11.8217 12.0020 12.0020 12.1877 12.1877 12.3666 12.3666 12.3985 12.3985 12.6606 12.6606 13.0352 13.0352 k = 0.4872 0.3109 0.3984 ( 2582 PWs) bands (ev): 3.8405 3.8405 4.1193 4.1193 6.0352 6.0352 6.4031 6.4031 8.8896 8.8896 8.9380 8.9380 9.3098 9.3098 9.5691 9.5691 10.2037 10.2037 10.4158 10.4158 10.4676 10.4676 10.5379 10.5379 10.8028 10.8028 11.2256 11.2256 11.2757 11.2757 11.6503 11.6503 11.7794 11.7794 11.8186 11.8186 12.0062 12.0062 12.1900 12.1900 12.3661 12.3661 12.3974 12.3974 12.6613 12.6613 13.0354 13.0354 k = 0.4808 0.3220 0.3984 ( 2582 PWs) bands (ev): 3.8444 3.8444 4.1220 4.1220 6.0421 6.0421 6.4085 6.4085 8.8764 8.8764 8.8914 8.8914 9.3384 9.3384 9.5522 9.5522 10.2205 10.2205 10.4070 10.4070 10.4814 10.4814 10.5378 10.5378 10.8000 10.8000 11.2184 11.2184 11.2770 11.2770 11.6586 11.6586 11.7768 11.7768 11.8141 11.8141 12.0126 12.0126 12.1937 12.1937 12.3653 12.3653 12.3955 12.3955 12.6626 12.6626 13.0357 13.0357 k = 0.4744 0.3331 0.3984 ( 2578 PWs) bands (ev): 3.8500 3.8500 4.1258 4.1258 6.0518 6.0518 6.4159 6.4159 8.8265 8.8265 8.8668 8.8668 9.3692 9.3692 9.5313 9.5313 10.2418 10.2418 10.3996 10.3996 10.4954 10.4954 10.5380 10.5380 10.7966 10.7966 11.2082 11.2082 11.2794 11.2794 11.6681 11.6681 11.7745 11.7745 11.8091 11.8091 12.0208 12.0208 12.1985 12.1985 12.3643 12.3643 12.3929 12.3929 12.6642 12.6642 13.0361 13.0361 k = 0.4679 0.3442 0.3984 ( 2570 PWs) bands (ev): 3.8571 3.8571 4.1306 4.1306 6.0642 6.0642 6.4255 6.4255 8.7602 8.7602 8.8463 8.8463 9.3995 9.3995 9.5084 9.5084 10.2658 10.2658 10.3938 10.3938 10.5085 10.5085 10.5393 10.5393 10.7927 10.7927 11.1956 11.1956 11.2828 11.2828 11.6767 11.6767 11.7737 11.7737 11.8044 11.8044 12.0301 12.0301 12.2044 12.2044 12.3630 12.3630 12.3897 12.3897 12.6662 12.6662 13.0367 13.0367 k = 0.4615 0.3553 0.3984 ( 2566 PWs) bands (ev): 3.8657 3.8657 4.1363 4.1363 6.0793 6.0793 6.4371 6.4371 8.6880 8.6880 8.8207 8.8207 9.4278 9.4278 9.4856 9.4856 10.2912 10.2912 10.3897 10.3897 10.5187 10.5187 10.5435 10.5435 10.7888 10.7888 11.1813 11.1813 11.2868 11.2868 11.6821 11.6821 11.7752 11.7752 11.8016 11.8016 12.0400 12.0400 12.2111 12.2111 12.3613 12.3613 12.3861 12.3861 12.6684 12.6684 13.0370 13.0370 k = 0.4551 0.3664 0.3984 ( 2566 PWs) bands (ev): 3.8758 3.8758 4.1429 4.1429 6.0971 6.0971 6.4507 6.4507 8.6115 8.6115 8.7890 8.7890 9.4521 9.4521 9.4657 9.4657 10.3161 10.3161 10.3876 10.3876 10.5244 10.5244 10.5521 10.5521 10.7853 10.7853 11.1661 11.1661 11.2910 11.2910 11.6828 11.6828 11.7772 11.7772 11.8042 11.8042 12.0502 12.0502 12.2183 12.2183 12.3595 12.3595 12.3821 12.3821 12.6707 12.6707 13.0372 13.0372 k = 0.4487 0.3775 0.3984 ( 2566 PWs) bands (ev): 3.8873 3.8873 4.1504 4.1504 6.1175 6.1175 6.4661 6.4661 8.5314 8.5314 8.7510 8.7510 9.4438 9.4438 9.4782 9.4782 10.3392 10.3392 10.3875 10.3875 10.5277 10.5277 10.5636 10.5636 10.7826 10.7826 11.1503 11.1503 11.2948 11.2948 11.6792 11.6792 11.7770 11.7770 11.8146 11.8146 12.0603 12.0603 12.2256 12.2256 12.3575 12.3575 12.3783 12.3783 12.6730 12.6730 13.0372 13.0372 k = 0.4423 0.3886 0.3984 ( 2562 PWs) bands (ev): 3.9002 3.9002 4.1585 4.1585 6.1406 6.1406 6.4833 6.4833 8.4486 8.4486 8.7068 8.7068 9.4285 9.4285 9.4982 9.4982 10.3585 10.3585 10.3902 10.3902 10.5311 10.5311 10.5755 10.5755 10.7812 10.7812 11.1346 11.1346 11.2978 11.2978 11.6728 11.6728 11.7755 11.7755 11.8308 11.8308 12.0700 12.0700 12.2328 12.2328 12.3553 12.3553 12.3749 12.3749 12.6751 12.6751 13.0367 13.0367 k = 0.4359 0.3997 0.3984 ( 2562 PWs) bands (ev): 3.9144 3.9144 4.1673 4.1673 6.1662 6.1662 6.5022 6.5022 8.3635 8.3635 8.6568 8.6568 9.4166 9.4166 9.5156 9.5156 10.3720 10.3720 10.3959 10.3959 10.5362 10.5362 10.5870 10.5870 10.7814 10.7814 11.1191 11.1191 11.2997 11.2997 11.6647 11.6647 11.7742 11.7742 11.8497 11.8497 12.0791 12.0791 12.2393 12.2393 12.3532 12.3532 12.3726 12.3726 12.6768 12.6768 13.0358 13.0358 k = 0.4295 0.4108 0.3984 ( 2562 PWs) bands (ev): 3.9299 3.9299 4.1765 4.1765 6.1943 6.1943 6.5225 6.5225 8.2769 8.2769 8.6016 8.6016 9.4085 9.4085 9.5303 9.5303 10.3803 10.3803 10.4034 10.4034 10.5436 10.5436 10.5974 10.5974 10.7838 10.7838 11.1042 11.1042 11.3001 11.3001 11.6561 11.6561 11.7740 11.7740 11.8696 11.8696 12.0874 12.0874 12.2447 12.2447 12.3515 12.3515 12.3718 12.3718 12.6779 12.6779 13.0340 13.0340 k = 0.4231 0.4219 0.3984 ( 2566 PWs) bands (ev): 3.9465 3.9465 4.1861 4.1861 6.2247 6.2247 6.5442 6.5442 8.1892 8.1892 8.5420 8.5420 9.4037 9.4037 9.5424 9.5424 10.3857 10.3857 10.4099 10.4099 10.5530 10.5530 10.6066 10.6066 10.7885 10.7885 11.0898 11.0898 11.2988 11.2988 11.6474 11.6474 11.7752 11.7752 11.8895 11.8895 12.0945 12.0945 12.2483 12.2483 12.3507 12.3507 12.3730 12.3730 12.6782 12.6782 13.0312 13.0312 k = 0.4167 0.4330 0.3984 ( 2566 PWs) bands (ev): 3.9642 3.9642 4.1959 4.1959 6.2576 6.2576 6.5670 6.5670 8.1010 8.1010 8.4790 8.4790 9.4021 9.4021 9.5520 9.5520 10.3892 10.3892 10.4153 10.4153 10.5637 10.5637 10.6146 10.6146 10.7959 10.7959 11.0763 11.0763 11.2957 11.2957 11.6392 11.6392 11.7781 11.7781 11.9085 11.9085 12.1006 12.1006 12.2496 12.2496 12.3516 12.3516 12.3765 12.3765 12.6774 12.6774 13.0271 13.0271 k = 0.4103 0.4441 0.3984 ( 2570 PWs) bands (ev): 3.9830 3.9830 4.2056 4.2056 6.2926 6.2926 6.5906 6.5906 8.0129 8.0129 8.4135 8.4135 9.4033 9.4033 9.5593 9.5593 10.3902 10.3902 10.4208 10.4208 10.5745 10.5745 10.6212 10.6212 10.8059 10.8059 11.0636 11.0636 11.2907 11.2907 11.6315 11.6315 11.7827 11.7827 11.9259 11.9259 12.1053 12.1053 12.2483 12.2483 12.3544 12.3544 12.3826 12.3826 12.6754 12.6754 13.0213 13.0213 k = 0.4038 0.4552 0.3984 ( 2570 PWs) bands (ev): 4.0026 4.0026 4.2152 4.2152 6.3297 6.3297 6.6148 6.6148 7.9256 7.9256 8.3466 8.3466 9.4070 9.4070 9.5644 9.5644 10.3885 10.3885 10.4279 10.4279 10.5844 10.5844 10.6265 10.6265 10.8186 10.8186 11.0518 11.0518 11.2838 11.2838 11.6247 11.6247 11.7889 11.7889 11.9411 11.9411 12.1090 12.1090 12.2447 12.2447 12.3595 12.3595 12.3916 12.3916 12.6720 12.6720 13.0133 13.0133 k = 0.3974 0.4663 0.3984 ( 2570 PWs) bands (ev): 4.0229 4.0229 4.2242 4.2242 6.3687 6.3687 6.6390 6.6390 7.8396 7.8396 8.2793 8.2793 9.4127 9.4127 9.5675 9.5675 10.3845 10.3845 10.4366 10.4366 10.5930 10.5930 10.6307 10.6307 10.8333 10.8333 11.0409 11.0409 11.2752 11.2752 11.6187 11.6187 11.7967 11.7967 11.9536 11.9536 12.1118 12.1118 12.2392 12.2392 12.3664 12.3664 12.4036 12.4036 12.6671 12.6671 13.0028 13.0028 k = 0.3910 0.4774 0.3984 ( 2570 PWs) bands (ev): 4.0438 4.0438 4.2326 4.2326 6.4093 6.4093 6.6628 6.6628 7.7556 7.7556 8.2128 8.2128 9.4201 9.4201 9.5687 9.5687 10.3792 10.3792 10.4464 10.4464 10.6000 10.6000 10.6338 10.6338 10.8498 10.8498 11.0309 11.0309 11.2649 11.2649 11.6135 11.6135 11.8059 11.8059 11.9629 11.9629 12.1142 12.1142 12.2324 12.2324 12.3747 12.3747 12.4186 12.4186 12.6608 12.6608 12.9892 12.9892 k = 0.3846 0.4885 0.3984 ( 2566 PWs) bands (ev): 4.0651 4.0651 4.2400 4.2400 6.4513 6.4513 6.6857 6.6857 7.6745 7.6745 8.1481 8.1481 9.4288 9.4288 9.5683 9.5683 10.3731 10.3731 10.4569 10.4569 10.6057 10.6057 10.6361 10.6361 10.8671 10.8671 11.0220 11.0220 11.2534 11.2534 11.6092 11.6092 11.8162 11.8162 11.9684 11.9684 12.1167 12.1167 12.2248 12.2248 12.3841 12.3841 12.4363 12.4363 12.6529 12.6529 12.9724 12.9724 k = 0.3782 0.4996 0.3984 ( 2562 PWs) bands (ev): 4.0867 4.0867 4.2461 4.2461 6.4942 6.4942 6.7069 6.7069 7.5970 7.5970 8.0865 8.0865 9.4387 9.4387 9.5662 9.5662 10.3669 10.3669 10.4677 10.4677 10.6100 10.6100 10.6376 10.6376 10.8847 10.8847 11.0143 11.0143 11.2408 11.2408 11.6057 11.6057 11.8274 11.8274 11.9702 11.9702 12.1197 12.1197 12.2171 12.2171 12.3944 12.3944 12.4563 12.4563 12.6439 12.6439 12.9521 12.9521 k = 0.3718 0.5107 0.3984 ( 2562 PWs) bands (ev): 4.1083 4.1083 4.2505 4.2505 6.5375 6.5375 6.7256 6.7256 7.5242 7.5242 8.0293 8.0293 9.4493 9.4493 9.5627 9.5627 10.3608 10.3608 10.4783 10.4783 10.6132 10.6132 10.6387 10.6387 10.9015 10.9015 11.0081 11.0081 11.2273 11.2273 11.6028 11.6028 11.8392 11.8392 11.9684 11.9684 12.1233 12.1233 12.2093 12.2093 12.4052 12.4052 12.4777 12.4777 12.6341 12.6341 12.9285 12.9285 k = 0.3654 0.5218 0.3984 ( 2572 PWs) bands (ev): 4.1296 4.1296 4.2530 4.2530 6.5805 6.5805 6.7410 6.7410 7.4573 7.4573 7.9780 7.9780 9.4605 9.4605 9.5578 9.5578 10.3551 10.3551 10.4882 10.4882 10.6154 10.6154 10.6393 10.6393 10.9166 10.9166 11.0039 11.0039 11.2136 11.2136 11.6005 11.6005 11.8514 11.8514 11.9634 11.9634 12.1273 12.1273 12.2019 12.2019 12.4163 12.4163 12.4997 12.4997 12.6243 12.6243 12.9020 12.9020 k = 0.3590 0.5329 0.3984 ( 2572 PWs) bands (ev): 4.1505 4.1505 4.2532 4.2532 6.6220 6.6220 6.7520 6.7520 7.3979 7.3979 7.9339 7.9339 9.4721 9.4721 9.5518 9.5518 10.3501 10.3501 10.4973 10.4973 10.6171 10.6171 10.6398 10.6398 10.9292 10.9292 11.0022 11.0022 11.2001 11.2001 11.5987 11.5987 11.8637 11.8637 11.9561 11.9561 12.1315 12.1315 12.1953 12.1953 12.4277 12.4277 12.5207 12.5207 12.6159 12.6159 12.8737 12.8737 k = 0.3526 0.5440 0.3984 ( 2572 PWs) bands (ev): 4.1707 4.1707 4.2506 4.2506 6.6607 6.6607 6.7580 6.7580 7.3478 7.3478 7.8983 7.8983 9.4838 9.4838 9.5446 9.5446 10.3460 10.3460 10.5048 10.5048 10.6182 10.6182 10.6402 10.6402 10.9381 10.9381 11.0032 11.0032 11.1877 11.1877 11.5974 11.5974 11.8759 11.8759 11.9470 11.9470 12.1356 12.1356 12.1898 12.1898 12.4386 12.4386 12.5380 12.5380 12.6110 12.6110 12.8453 12.8453 k = 0.3462 0.5551 0.3984 ( 2576 PWs) bands (ev): 4.1897 4.1897 4.2450 4.2450 6.6945 6.6945 6.7583 6.7583 7.3093 7.3093 7.8723 7.8723 9.4954 9.4954 9.5365 9.5365 10.3429 10.3429 10.5105 10.5105 10.6189 10.6189 10.6404 10.6404 10.9435 10.9435 11.0061 11.0061 11.1773 11.1773 11.5964 11.5964 11.8875 11.8875 11.9370 11.9370 12.1390 12.1390 12.1855 12.1855 12.4482 12.4482 12.5486 12.5486 12.6119 12.6119 12.8194 12.8194 k = 0.3397 0.5662 0.3984 ( 2574 PWs) bands (ev): 4.2073 4.2073 4.2360 4.2360 6.7214 6.7214 6.7528 6.7528 7.2848 7.2848 7.8566 7.8566 9.5066 9.5066 9.5274 9.5274 10.3410 10.3410 10.5141 10.5141 10.6194 10.6194 10.6406 10.6406 10.9462 10.9462 11.0091 11.0091 11.1703 11.1703 11.5959 11.5959 11.8980 11.8980 11.9273 11.9273 12.1414 12.1414 12.1828 12.1828 12.4549 12.4549 12.5529 12.5529 12.6164 12.6164 12.8003 12.8003 k = 0.3333 0.5774 0.3984 ( 2574 PWs) bands (ev): 4.2221 4.2221 4.2242 4.2242 6.7364 6.7364 6.7450 6.7450 7.2764 7.2764 7.8514 7.8514 9.5161 9.5161 9.5186 9.5186 10.3403 10.3403 10.5153 10.5153 10.6196 10.6196 10.6407 10.6407 10.9470 10.9470 11.0102 11.0102 11.1678 11.1678 11.5957 11.5957 11.9036 11.9036 11.9219 11.9219 12.1422 12.1422 12.1820 12.1820 12.4574 12.4574 12.5542 12.5542 12.6184 12.6184 12.7931 12.7931 k = 0.3333 0.5774 0.3984 ( 2574 PWs) bands (ev): 4.2221 4.2221 4.2242 4.2242 6.7364 6.7364 6.7450 6.7450 7.2764 7.2764 7.8514 7.8514 9.5161 9.5161 9.5186 9.5186 10.3403 10.3403 10.5153 10.5153 10.6196 10.6196 10.6407 10.6407 10.9470 10.9470 11.0102 11.0102 11.1678 11.1678 11.5957 11.5957 11.9036 11.9036 11.9219 11.9219 12.1422 12.1422 12.1820 12.1820 12.4574 12.4574 12.5542 12.5542 12.6184 12.6184 12.7931 12.7931 k = 0.3269 0.5662 0.3984 ( 2574 PWs) bands (ev): 4.2063 4.2063 4.2368 4.2368 6.7235 6.7235 6.7512 6.7512 7.2847 7.2847 7.8564 7.8564 9.5066 9.5066 9.5274 9.5274 10.3410 10.3410 10.5141 10.5141 10.6194 10.6194 10.6406 10.6406 10.9460 10.9460 11.0093 11.0093 11.1703 11.1703 11.5959 11.5959 11.8983 11.8983 11.9271 11.9271 12.1414 12.1414 12.1827 12.1827 12.4551 12.4551 12.5510 12.5510 12.6185 12.6185 12.8002 12.8002 k = 0.3205 0.5551 0.3984 ( 2570 PWs) bands (ev): 4.1852 4.1852 4.2478 4.2478 6.7036 6.7036 6.7533 6.7533 7.3084 7.3084 7.8709 7.8709 9.4952 9.4952 9.5364 9.5364 10.3430 10.3430 10.5107 10.5107 10.6187 10.6187 10.6401 10.6401 10.9424 10.9424 11.0078 11.0078 11.1775 11.1775 11.5966 11.5966 11.8891 11.8891 11.9365 11.9365 12.1392 12.1392 12.1848 12.1848 12.4490 12.4490 12.5371 12.5371 12.6255 12.6255 12.8189 12.8189 k = 0.3141 0.5440 0.3984 ( 2570 PWs) bands (ev): 4.1597 4.1597 4.2557 4.2557 6.6811 6.6811 6.7510 6.7510 7.3449 7.3449 7.8938 7.8938 9.4832 9.4832 9.5442 9.5442 10.3464 10.3464 10.5050 10.5050 10.6175 10.6175 10.6392 10.6392 10.9349 10.9349 11.0080 11.0080 11.1883 11.1883 11.5978 11.5978 11.8797 11.8797 11.9464 11.9464 12.1359 12.1359 12.1876 12.1876 12.4407 12.4407 12.5126 12.5126 12.6424 12.6424 12.8449 12.8449 k = 0.3077 0.5329 0.3984 ( 2574 PWs) bands (ev): 4.1297 4.1297 4.2601 4.2601 6.6577 6.6577 6.7469 6.7469 7.3912 7.3912 7.9241 7.9241 9.4705 9.4705 9.5507 9.5507 10.3510 10.3510 10.4974 10.4974 10.6155 10.6155 10.6378 10.6378 10.9232 10.9232 11.0116 11.0116 11.2018 11.2018 11.5997 11.5997 11.8709 11.8709 11.9564 11.9564 12.1318 12.1318 12.1907 12.1907 12.4314 12.4314 12.4829 12.4829 12.6663 12.6663 12.8752 12.8752 k = 0.3013 0.5218 0.3984 ( 2570 PWs) bands (ev): 4.0953 4.0953 4.2607 4.2607 6.6350 6.6350 6.7435 6.7435 7.4447 7.4447 7.9606 7.9606 9.4573 9.4573 9.5559 9.5559 10.3567 10.3567 10.4882 10.4882 10.6128 10.6128 10.6358 10.6358 10.9083 10.9083 11.0184 11.0184 11.2173 11.2173 11.6024 11.6024 11.8632 11.8632 11.9664 11.9664 12.1270 12.1270 12.1939 12.1939 12.4216 12.4216 12.4519 12.4519 12.6952 12.6952 12.9082 12.9082 k = 0.2949 0.5107 0.3984 ( 2570 PWs) bands (ev): 4.0566 4.0566 4.2571 4.2571 6.6142 6.6142 6.7426 6.7426 7.5035 7.5035 8.0022 8.0022 9.4437 9.4437 9.5595 9.5595 10.3632 10.3632 10.4774 10.4774 10.6090 10.6090 10.6336 10.6336 10.8916 10.8916 11.0280 11.0280 11.2340 11.2340 11.6056 11.6056 11.8566 11.8566 11.9765 11.9765 12.1216 12.1216 12.1966 12.1966 12.4093 12.4093 12.4241 12.4241 12.7279 12.7279 12.9428 12.9428 k = 0.2885 0.4996 0.3984 ( 2566 PWs) bands (ev): 4.0136 4.0136 4.2490 4.2490 6.5967 6.5967 6.7452 6.7452 7.5660 7.5660 8.0480 8.0480 9.4296 9.4296 9.5616 9.5616 10.3703 10.3703 10.4654 10.4654 10.6040 10.6040 10.6313 10.6313 10.8742 10.8742 11.0396 11.0396 11.2519 11.2519 11.6094 11.6094 11.8516 11.8516 11.9865 11.9865 12.1159 12.1159 12.1988 12.1988 12.3863 12.3863 12.4096 12.4096 12.7638 12.7638 12.9788 12.9788 k = 0.2821 0.4885 0.3984 ( 2558 PWs) bands (ev): 3.9668 3.9668 4.2361 4.2361 6.5832 6.5832 6.7519 6.7519 7.6313 7.6313 8.0972 8.0972 9.4151 9.4151 9.5620 9.5620 10.3775 10.3775 10.4524 10.4524 10.5977 10.5977 10.6293 10.6293 10.8572 10.8572 11.0531 11.0531 11.2706 11.2706 11.6134 11.6134 11.8483 11.8483 11.9965 11.9965 12.1101 12.1101 12.1997 12.1997 12.3604 12.3604 12.4016 12.4016 12.8027 12.8027 13.0156 13.0156 k = 0.2756 0.4774 0.3984 ( 2560 PWs) bands (ev): 3.9164 3.9164 4.2184 4.2184 6.5746 6.5746 6.7630 6.7630 7.6983 7.6983 8.1490 8.1490 9.4002 9.4002 9.5608 9.5608 10.3842 10.3842 10.4385 10.4385 10.5899 10.5899 10.6275 10.6275 10.8413 10.8413 11.0680 11.0680 11.2899 11.2899 11.6171 11.6171 11.8472 11.8472 12.0061 12.0061 12.1046 12.1046 12.1987 12.1987 12.3377 12.3377 12.3953 12.3953 12.8443 12.8443 13.0531 13.0531 k = 0.2692 0.4663 0.3984 ( 2564 PWs) bands (ev): 3.8628 3.8628 4.1958 4.1958 6.5712 6.5712 6.7786 6.7786 7.7664 7.7664 8.2026 8.2026 9.3850 9.3850 9.5579 9.5579 10.3894 10.3894 10.4248 10.4248 10.5810 10.5810 10.6256 10.6256 10.8277 10.8277 11.0841 11.0841 11.3099 11.3099 11.6201 11.6201 11.8486 11.8486 12.0152 12.0152 12.0998 12.0998 12.1948 12.1948 12.3199 12.3199 12.3902 12.3902 12.8885 12.8885 13.0910 13.0910 k = 0.2628 0.4552 0.3984 ( 2560 PWs) bands (ev): 3.8063 3.8063 4.1685 4.1685 6.5735 6.5735 6.7987 6.7987 7.8351 7.8351 8.2576 8.2576 9.3695 9.3695 9.5534 9.5534 10.3904 10.3904 10.4137 10.4137 10.5710 10.5710 10.6235 10.6235 10.8174 10.8174 11.1015 11.1015 11.3304 11.3304 11.6216 11.6216 11.8530 11.8530 12.0231 12.0231 12.0969 12.0969 12.1879 12.1879 12.3081 12.3081 12.3862 12.3862 12.9350 12.9350 13.1295 13.1295 k = 0.2564 0.4441 0.3984 ( 2560 PWs) bands (ev): 3.7474 3.7474 4.1366 4.1366 6.5816 6.5816 6.8230 6.8230 7.9037 7.9037 8.3134 8.3134 9.3537 9.3537 9.5475 9.5475 10.3820 10.3820 10.4099 10.4099 10.5601 10.5601 10.6205 10.6205 10.8113 10.8113 11.1200 11.1200 11.3515 11.3515 11.6213 11.6213 11.8606 11.8606 12.0288 12.0288 12.0967 12.0967 12.1779 12.1779 12.3021 12.3021 12.3832 12.3832 12.9839 12.9839 13.1684 13.1684 k = 0.2500 0.4330 0.3984 ( 2552 PWs) bands (ev): 3.6865 3.6865 4.1004 4.1004 6.5954 6.5954 6.8513 6.8513 7.9717 7.9717 8.3695 8.3695 9.3377 9.3377 9.5401 9.5401 10.3677 10.3677 10.4102 10.4102 10.5486 10.5486 10.6161 10.6161 10.8104 10.8104 11.1397 11.1397 11.3732 11.3732 11.6188 11.6188 11.8717 11.8717 12.0317 12.0317 12.1003 12.1003 12.1663 12.1663 12.3010 12.3010 12.3811 12.3811 13.0350 13.0350 13.2078 13.2078 k = 0.2436 0.4219 0.3984 ( 2560 PWs) bands (ev): 3.6238 3.6238 4.0603 4.0603 6.6147 6.6147 6.8833 6.8833 8.0386 8.0386 8.4252 8.4252 9.3216 9.3216 9.5313 9.5313 10.3515 10.3515 10.4104 10.4104 10.5367 10.5367 10.6100 10.6100 10.8149 10.8149 11.1604 11.1604 11.3953 11.3953 11.6139 11.6139 11.8858 11.8858 12.0318 12.0318 12.1075 12.1075 12.1542 12.1542 12.3034 12.3034 12.3798 12.3798 13.0882 13.0882 13.2476 13.2476 k = 0.2372 0.4108 0.3984 ( 2564 PWs) bands (ev): 3.5599 3.5599 4.0167 4.0167 6.6394 6.6394 6.9187 6.9187 8.1039 8.1039 8.4803 8.4803 9.3053 9.3053 9.5215 9.5215 10.3349 10.3349 10.4095 10.4095 10.5245 10.5245 10.6023 10.6023 10.8248 10.8248 11.1822 11.1822 11.4179 11.4179 11.6071 11.6071 11.9026 11.9026 12.0302 12.0302 12.1176 12.1176 12.1427 12.1427 12.3085 12.3085 12.3795 12.3795 13.1435 13.1435 13.2879 13.2879 k = 0.2308 0.3997 0.3984 ( 2564 PWs) bands (ev): 3.4950 3.4950 3.9700 3.9700 6.6691 6.6691 6.9572 6.9572 8.1671 8.1671 8.5342 8.5342 9.2890 9.2890 9.5106 9.5106 10.3185 10.3185 10.4072 10.4072 10.5122 10.5122 10.5934 10.5934 10.8396 10.8396 11.2051 11.2051 11.4409 11.4409 11.5988 11.5988 11.9216 11.9216 12.0277 12.0277 12.1285 12.1285 12.1337 12.1337 12.3157 12.3157 12.3801 12.3801 13.2007 13.2007 13.3288 13.3288 k = 0.2244 0.3886 0.3984 ( 2560 PWs) bands (ev): 3.4296 3.4296 3.9208 3.9208 6.7035 6.7035 6.9984 6.9984 8.2276 8.2276 8.5863 8.5863 9.2727 9.2727 9.4991 9.4991 10.3026 10.3026 10.4037 10.4037 10.5001 10.5001 10.5838 10.5838 10.8587 10.8587 11.2291 11.2291 11.4643 11.4643 11.5896 11.5896 11.9421 11.9421 12.0253 12.0253 12.1228 12.1228 12.1442 12.1442 12.3246 12.3246 12.3818 12.3818 13.2597 13.2597 13.3703 13.3703 k = 0.2179 0.3775 0.3984 ( 2570 PWs) bands (ev): 3.3638 3.3638 3.8694 3.8694 6.7422 6.7422 7.0421 7.0421 8.2850 8.2850 8.6363 8.6363 9.2564 9.2564 9.4871 9.4871 10.2875 10.2875 10.3991 10.3991 10.4880 10.4880 10.5739 10.5739 10.8810 10.8810 11.2538 11.2538 11.4880 11.4880 11.5799 11.5799 11.9633 11.9633 12.0232 12.0232 12.1155 12.1155 12.1588 12.1588 12.3346 12.3346 12.3844 12.3844 13.3203 13.3203 13.4124 13.4124 k = 0.2115 0.3664 0.3984 ( 2570 PWs) bands (ev): 3.2979 3.2979 3.8162 3.8162 6.7848 6.7848 7.0880 7.0880 8.3387 8.3387 8.6837 8.6837 9.2403 9.2403 9.4749 9.4749 10.2735 10.2735 10.3936 10.3936 10.4762 10.4762 10.5640 10.5640 10.9063 10.9063 11.2794 11.2794 11.5119 11.5119 11.5705 11.5705 11.9846 11.9846 12.0223 12.0223 12.1097 12.1097 12.1743 12.1743 12.3455 12.3455 12.3887 12.3887 13.3822 13.3822 13.4554 13.4554 k = 0.2051 0.3553 0.3984 ( 2570 PWs) bands (ev): 3.2323 3.2323 3.7618 3.7618 6.8310 6.8310 7.1357 7.1357 8.3882 8.3882 8.7278 8.7278 9.2245 9.2245 9.4629 9.4629 10.2607 10.2607 10.3873 10.3873 10.4647 10.4647 10.5545 10.5545 10.9338 10.9338 11.3056 11.3056 11.5358 11.5358 11.5622 11.5622 12.0044 12.0044 12.0237 12.0237 12.1054 12.1054 12.1905 12.1905 12.3566 12.3566 12.3949 12.3949 13.4449 13.4449 13.4995 13.4995 k = 0.1987 0.3442 0.3984 ( 2566 PWs) bands (ev): 3.1672 3.1672 3.7064 3.7064 6.8804 6.8804 7.1852 7.1852 8.4332 8.4332 8.7682 8.7682 9.2090 9.2090 9.4516 9.4516 10.2494 10.2494 10.3804 10.3804 10.4535 10.4535 10.5454 10.5454 10.9632 10.9632 11.3322 11.3322 11.5518 11.5518 11.5635 11.5635 12.0165 12.0165 12.0333 12.0333 12.1026 12.1026 12.2070 12.2070 12.3670 12.3670 12.4041 12.4041 13.5074 13.5074 13.5452 13.5452 k = 0.1923 0.3331 0.3984 ( 2566 PWs) bands (ev): 3.1027 3.1027 3.6505 3.6505 6.9327 6.9327 7.2360 7.2360 8.4732 8.4732 8.8044 8.8044 9.1938 9.1938 9.4414 9.4414 10.2396 10.2396 10.3730 10.3730 10.4428 10.4428 10.5367 10.5367 10.9940 10.9940 11.3587 11.3587 11.5482 11.5482 11.5863 11.5863 12.0208 12.0208 12.0510 12.0510 12.1013 12.1013 12.2239 12.2239 12.3760 12.3760 12.4166 12.4166 13.5681 13.5681 13.5933 13.5933 k = 0.1859 0.3220 0.3984 ( 2570 PWs) bands (ev): 3.0391 3.0391 3.5943 3.5943 6.9875 6.9875 7.2880 7.2880 8.5081 8.5081 8.8358 8.8358 9.1790 9.1790 9.4327 9.4327 10.2313 10.2313 10.3653 10.3653 10.4324 10.4324 10.5282 10.5282 11.0260 11.0260 11.3846 11.3846 11.5458 11.5458 11.6106 11.6106 12.0246 12.0246 12.0691 12.0691 12.1016 12.1016 12.2408 12.2408 12.3837 12.3837 12.4321 12.4321 13.6244 13.6244 13.6453 13.6453 k = 0.1795 0.3109 0.3984 ( 2570 PWs) bands (ev): 2.9766 2.9766 3.5383 3.5383 7.0444 7.0444 7.3409 7.3409 8.5375 8.5375 8.8620 8.8620 9.1646 9.1646 9.4261 9.4261 10.2245 10.2245 10.3572 10.3572 10.4225 10.4225 10.5202 10.5202 11.0590 11.0590 11.4095 11.4095 11.5466 11.5466 11.6349 11.6349 12.0295 12.0295 12.0851 12.0851 12.1048 12.1048 12.2576 12.2576 12.3908 12.3908 12.4499 12.4499 13.6769 13.6769 13.6997 13.6997 k = 0.1731 0.2998 0.3984 ( 2570 PWs) bands (ev): 2.9152 2.9152 3.4825 3.4825 7.1033 7.1033 7.3945 7.3945 8.5616 8.5616 8.8827 8.8827 9.1507 9.1507 9.4220 9.4220 10.2191 10.2191 10.3489 10.3489 10.4130 10.4130 10.5122 10.5122 11.0927 11.0927 11.4327 11.4327 11.5515 11.5515 11.6590 11.6590 12.0358 12.0358 12.0959 12.0959 12.1135 12.1135 12.2742 12.2742 12.3979 12.3979 12.4691 12.4691 13.7288 13.7288 13.7526 13.7526 k = 0.1667 0.2887 0.3984 ( 2578 PWs) bands (ev): 2.8552 2.8552 3.4274 3.4274 7.1637 7.1637 7.4487 7.4487 8.5803 8.5803 8.8977 8.8977 9.1371 9.1371 9.4206 9.4206 10.2149 10.2149 10.3404 10.3404 10.4040 10.4040 10.5043 10.5043 11.1268 11.1268 11.4535 11.4535 11.5607 11.5607 11.6827 11.6827 12.0435 12.0435 12.1020 12.1020 12.1271 12.1271 12.2902 12.2902 12.4053 12.4053 12.4889 12.4889 13.7817 13.7817 13.8024 13.8024 k = 0.1603 0.2776 0.3984 ( 2578 PWs) bands (ev): 2.7967 2.7967 3.3731 3.3731 7.2256 7.2256 7.5032 7.5032 8.5939 8.5939 8.9071 8.9071 9.1239 9.1239 9.4219 9.4219 10.2118 10.2118 10.3318 10.3318 10.3953 10.3953 10.4961 10.4961 11.1614 11.1614 11.4722 11.4722 11.5742 11.5742 11.7058 11.7058 12.0528 12.0528 12.1074 12.1074 12.1419 12.1419 12.3054 12.3054 12.4134 12.4134 12.5092 12.5092 13.8364 13.8364 13.8497 13.8497 k = 0.1538 0.2665 0.3984 ( 2570 PWs) bands (ev): 2.7397 2.7397 3.3197 3.3197 7.2885 7.2885 7.5579 7.5579 8.6029 8.6029 8.9113 8.9113 9.1109 9.1109 9.4260 9.4260 10.2095 10.2095 10.3233 10.3233 10.3869 10.3869 10.4877 10.4877 11.1963 11.1963 11.4895 11.4895 11.5909 11.5909 11.7282 11.7282 12.0638 12.0638 12.1137 12.1137 12.1567 12.1567 12.3194 12.3194 12.4226 12.4226 12.5293 12.5293 13.8908 13.8908 13.8981 13.8981 k = 0.1474 0.2554 0.3984 ( 2558 PWs) bands (ev): 2.6844 2.6844 3.2676 3.2676 7.3523 7.3523 7.6126 7.6126 8.6076 8.6076 8.9107 8.9107 9.0979 9.0979 9.4323 9.4323 10.2079 10.2079 10.3147 10.3147 10.3788 10.3788 10.4790 10.4790 11.2312 11.2312 11.5065 11.5065 11.6095 11.6095 11.7498 11.7498 12.0763 12.0763 12.1210 12.1210 12.1711 12.1711 12.3318 12.3318 12.4331 12.4331 12.5491 12.5491 13.9370 13.9370 13.9564 13.9564 k = 0.1410 0.2443 0.3984 ( 2556 PWs) bands (ev): 2.6310 2.6310 3.2168 3.2168 7.4167 7.4167 7.6671 7.6671 8.6085 8.6085 8.9060 8.9060 9.0847 9.0847 9.4404 9.4404 10.2064 10.2064 10.3062 10.3062 10.3710 10.3710 10.4696 10.4696 11.2660 11.2660 11.5240 11.5240 11.6286 11.6286 11.7703 11.7703 12.0903 12.0903 12.1295 12.1295 12.1851 12.1851 12.3423 12.3423 12.4450 12.4450 12.5680 12.5680 13.9809 13.9809 14.0198 14.0198 k = 0.1346 0.2332 0.3984 ( 2560 PWs) bands (ev): 2.5794 2.5794 3.1675 3.1675 7.4813 7.4813 7.7213 7.7213 8.6061 8.6061 8.8979 8.8979 9.0713 9.0713 9.4497 9.4497 10.2051 10.2051 10.2976 10.2976 10.3632 10.3632 10.4594 10.4594 11.3006 11.3006 11.5426 11.5426 11.6472 11.6472 11.7897 11.7897 12.1057 12.1057 12.1391 12.1391 12.1989 12.1989 12.3508 12.3508 12.4582 12.4582 12.5860 12.5860 14.0241 14.0241 14.0868 14.0868 k = 0.1282 0.2221 0.3984 ( 2568 PWs) bands (ev): 2.5298 2.5298 3.1199 3.1199 7.5461 7.5461 7.7750 7.7750 8.6010 8.6010 8.8871 8.8871 9.0576 9.0576 9.4598 9.4598 10.2039 10.2039 10.2892 10.2892 10.3554 10.3554 10.4485 10.4485 11.3347 11.3347 11.5626 11.5626 11.6649 11.6649 11.8079 11.8079 12.1224 12.1224 12.1498 12.1498 12.2124 12.2124 12.3572 12.3572 12.4727 12.4727 12.6028 12.6028 14.0670 14.0670 14.1573 14.1573 k = 0.1218 0.2110 0.3984 ( 2574 PWs) bands (ev): 2.4822 2.4822 3.0739 3.0739 7.6107 7.6107 7.8282 7.8282 8.5937 8.5937 8.8744 8.8744 9.0434 9.0434 9.4703 9.4703 10.2026 10.2026 10.2809 10.2809 10.3476 10.3476 10.4369 10.4369 11.3682 11.3682 11.5839 11.5839 11.6812 11.6812 11.8250 11.8250 12.1402 12.1402 12.1615 12.1615 12.2258 12.2258 12.3617 12.3617 12.4883 12.4883 12.6183 12.6183 14.1093 14.1093 14.2315 14.2315 k = 0.1154 0.1999 0.3984 ( 2578 PWs) bands (ev): 2.4367 2.4367 3.0298 3.0298 7.6750 7.6750 7.8808 7.8808 8.5847 8.5847 8.8602 8.8602 9.0288 9.0288 9.4808 9.4808 10.2012 10.2012 10.2728 10.2728 10.3398 10.3398 10.4246 10.4246 11.4010 11.4010 11.6061 11.6061 11.6965 11.6965 11.8411 11.8411 12.1588 12.1588 12.1738 12.1738 12.2392 12.2392 12.3646 12.3646 12.5046 12.5046 12.6326 12.6326 14.1505 14.1505 14.3094 14.3094 k = 0.1090 0.1887 0.3984 ( 2580 PWs) bands (ev): 2.3934 2.3934 2.9877 2.9877 7.7386 7.7386 7.9325 7.9325 8.5744 8.5744 8.8451 8.8451 9.0135 9.0135 9.4910 9.4910 10.1998 10.1998 10.2650 10.2650 10.3318 10.3318 10.4115 10.4115 11.4328 11.4328 11.6284 11.6284 11.7112 11.7112 11.8563 11.8563 12.1781 12.1781 12.1864 12.1864 12.2526 12.2526 12.3659 12.3659 12.5213 12.5213 12.6455 12.6455 14.1900 14.1900 14.3907 14.3907 k = 0.1026 0.1776 0.3984 ( 2572 PWs) bands (ev): 2.3524 2.3524 2.9476 2.9476 7.8015 7.8015 7.9834 7.9834 8.5632 8.5632 8.8294 8.8294 8.9977 8.9977 9.5007 9.5007 10.1985 10.1985 10.2574 10.2574 10.3239 10.3239 10.3979 10.3979 11.4635 11.4635 11.6496 11.6496 11.7264 11.7264 11.8708 11.8708 12.1971 12.1971 12.1994 12.1994 12.2663 12.2663 12.3658 12.3658 12.5385 12.5385 12.6572 12.6572 14.2271 14.2271 14.4754 14.4754 k = 0.0962 0.1665 0.3984 ( 2576 PWs) bands (ev): 2.3135 2.3135 2.9096 2.9096 7.8631 7.8631 8.0332 8.0332 8.5513 8.5513 8.8135 8.8135 8.9812 8.9812 9.5098 9.5098 10.1970 10.1970 10.2501 10.2501 10.3157 10.3157 10.3837 10.3837 11.4928 11.4928 11.6680 11.6680 11.7437 11.7437 11.8846 11.8846 12.2103 12.2103 12.2177 12.2177 12.2800 12.2800 12.3645 12.3645 12.5554 12.5554 12.6675 12.6675 14.2609 14.2609 14.5632 14.5632 k = 0.0897 0.1554 0.3984 ( 2576 PWs) bands (ev): 2.2770 2.2770 2.8737 2.8737 7.9233 7.9233 8.0820 8.0820 8.5392 8.5392 8.7977 8.7977 8.9640 8.9640 9.5180 9.5180 10.1956 10.1956 10.2432 10.2432 10.3074 10.3074 10.3691 10.3691 11.5206 11.5206 11.6822 11.6822 11.7643 11.7643 11.8982 11.8982 12.2211 12.2211 12.2369 12.2369 12.2939 12.2939 12.3621 12.3621 12.5722 12.5722 12.6766 12.6766 14.2907 14.2907 14.6534 14.6534 k = 0.0833 0.1443 0.3984 ( 2574 PWs) bands (ev): 2.2429 2.2429 2.8401 2.8401 7.9818 7.9818 8.1296 8.1296 8.5271 8.5271 8.7822 8.7822 8.9463 8.9463 9.5253 9.5253 10.1943 10.1943 10.2366 10.2366 10.2992 10.2992 10.3542 10.3542 11.5466 11.5466 11.6920 11.6920 11.7883 11.7883 11.9118 11.9118 12.2306 12.2306 12.2554 12.2554 12.3079 12.3079 12.3589 12.3589 12.5887 12.5887 12.6845 12.6845 14.3157 14.3157 14.7457 14.7457 k = 0.0769 0.1332 0.3984 ( 2566 PWs) bands (ev): 2.2111 2.2111 2.8088 2.8088 8.0384 8.0384 8.1760 8.1760 8.5153 8.5153 8.7672 8.7672 8.9279 8.9279 9.5317 9.5317 10.1932 10.1932 10.2304 10.2304 10.2910 10.2910 10.3393 10.3393 11.5707 11.5707 11.6983 11.6983 11.8148 11.8148 11.9256 11.9256 12.2385 12.2385 12.2727 12.2727 12.3215 12.3215 12.3555 12.3555 12.6047 12.6047 12.6914 12.6914 14.3357 14.3357 14.8390 14.8390 k = 0.0705 0.1221 0.3984 ( 2570 PWs) bands (ev): 2.1818 2.1818 2.7798 2.7798 8.0925 8.0925 8.2209 8.2209 8.5039 8.5039 8.7528 8.7528 8.9087 8.9087 9.5371 9.5371 10.1922 10.1922 10.2247 10.2247 10.2827 10.2827 10.3243 10.3243 11.5925 11.5925 11.7020 11.7020 11.8427 11.8427 11.9397 11.9397 12.2446 12.2446 12.2879 12.2879 12.3334 12.3334 12.3537 12.3537 12.6200 12.6200 12.6972 12.6972 14.3506 14.3506 14.9324 14.9324 k = 0.0641 0.1110 0.3984 ( 2570 PWs) bands (ev): 2.1549 2.1549 2.7532 2.7532 8.1441 8.1441 8.2644 8.2644 8.4932 8.4932 8.7393 8.7393 8.8888 8.8888 9.5415 9.5415 10.1916 10.1916 10.2194 10.2194 10.2745 10.2745 10.3096 10.3096 11.6120 11.6120 11.7040 11.7040 11.8710 11.8710 11.9546 11.9546 12.2488 12.2488 12.2992 12.2992 12.3407 12.3407 12.3579 12.3579 12.6346 12.6346 12.7023 12.7023 14.3607 14.3607 15.0243 15.0243 k = 0.0577 0.0999 0.3984 ( 2570 PWs) bands (ev): 2.1305 2.1305 2.7290 2.7290 8.1925 8.1925 8.3063 8.3063 8.4835 8.4835 8.7266 8.7266 8.8682 8.8682 9.5449 9.5449 10.1912 10.1912 10.2148 10.2148 10.2665 10.2665 10.2954 10.2954 11.6292 11.6292 11.7048 11.7048 11.8990 11.8990 11.9702 11.9702 12.2511 12.2511 12.3040 12.3040 12.3458 12.3458 12.3683 12.3683 12.6481 12.6481 12.7066 12.7066 14.3667 14.3667 15.1129 15.1129 k = 0.0513 0.0888 0.3984 ( 2574 PWs) bands (ev): 2.1087 2.1087 2.7073 2.7073 8.2376 8.2376 8.3461 8.3461 8.4753 8.4753 8.7149 8.7149 8.8468 8.8468 9.5474 9.5474 10.1912 10.1912 10.2107 10.2107 10.2587 10.2587 10.2817 10.2817 11.6441 11.6441 11.7047 11.7047 11.9262 11.9262 11.9865 11.9865 12.2515 12.2515 12.3019 12.3019 12.3536 12.3536 12.3799 12.3799 12.6606 12.6606 12.7103 12.7103 14.3693 14.3693 15.1956 15.1956 k = 0.0449 0.0777 0.3984 ( 2574 PWs) bands (ev): 2.0893 2.0893 2.6881 2.6881 8.2788 8.2788 8.3831 8.3831 8.4695 8.4695 8.7043 8.7043 8.8247 8.8247 9.5492 9.5492 10.1916 10.1916 10.2073 10.2073 10.2512 10.2512 10.2689 10.2689 11.6566 11.6566 11.7041 11.7041 11.9520 11.9520 12.0036 12.0036 12.2500 12.2500 12.2956 12.2956 12.3631 12.3631 12.3911 12.3911 12.6717 12.6717 12.7135 12.7135 14.3694 14.3694 15.2699 15.2699 k = 0.0385 0.0666 0.3984 ( 2574 PWs) bands (ev): 2.0725 2.0725 2.6714 2.6714 8.3158 8.3158 8.4136 8.4136 8.4696 8.4696 8.6948 8.6948 8.8018 8.8018 9.5502 9.5502 10.1925 10.1925 10.2046 10.2046 10.2440 10.2440 10.2571 10.2571 11.6670 11.6670 11.7032 11.7032 11.9761 11.9761 12.0211 12.0211 12.2467 12.2467 12.2873 12.2873 12.3726 12.3726 12.4013 12.4013 12.6814 12.6814 12.7164 12.7164 14.3678 14.3678 15.3331 15.3331 k = 0.0321 0.0555 0.3984 ( 2566 PWs) bands (ev): 2.0583 2.0583 2.6572 2.6572 8.3482 8.3482 8.4294 8.4294 8.4842 8.4842 8.6866 8.6866 8.7782 8.7782 9.5507 9.5507 10.1938 10.1938 10.2028 10.2028 10.2372 10.2372 10.2463 10.2463 11.6755 11.6755 11.7022 11.7022 11.9980 11.9980 12.0388 12.0388 12.2418 12.2418 12.2784 12.2784 12.3813 12.3813 12.4104 12.4104 12.6896 12.6896 12.7190 12.7190 14.3653 14.3653 15.3840 15.3840 k = 0.0256 0.0444 0.3984 ( 2562 PWs) bands (ev): 2.0466 2.0466 2.6456 2.6456 8.3753 8.3753 8.4320 8.4320 8.5115 8.5115 8.6796 8.6796 8.7538 8.7538 9.5507 9.5507 10.1956 10.1956 10.2018 10.2018 10.2307 10.2307 10.2370 10.2370 11.6822 11.6822 11.7011 11.7011 12.0174 12.0174 12.0556 12.0556 12.2357 12.2357 12.2695 12.2695 12.3887 12.3887 12.4179 12.4179 12.6960 12.6960 12.7215 12.7215 14.3624 14.3624 15.4224 15.4224 k = 0.0192 0.0333 0.3984 ( 2566 PWs) bands (ev): 2.0375 2.0375 2.6365 2.6365 8.3967 8.3967 8.4309 8.4309 8.5421 8.5421 8.6738 8.6738 8.7288 8.7288 9.5505 9.5505 10.1977 10.1977 10.2017 10.2017 10.2244 10.2244 10.2292 10.2292 11.6872 11.6872 11.7001 11.7001 12.0338 12.0338 12.0707 12.0707 12.2290 12.2290 12.2612 12.2612 12.3945 12.3945 12.4239 12.4239 12.7005 12.7005 12.7239 12.7239 14.3596 14.3596 15.4495 15.4495 k = 0.0128 0.0222 0.3984 ( 2558 PWs) bands (ev): 2.0310 2.0310 2.6300 2.6300 8.4118 8.4118 8.4299 8.4299 8.5722 8.5722 8.6693 8.6693 8.7041 8.7041 9.5502 9.5502 10.2004 10.2004 10.2025 10.2025 10.2184 10.2184 10.2234 10.2234 11.6908 11.6908 11.6991 11.6991 12.0466 12.0466 12.0830 12.0830 12.2229 12.2229 12.2545 12.2545 12.3988 12.3988 12.4283 12.4283 12.7035 12.7035 12.7259 12.7259 14.3574 14.3574 15.4672 15.4672 k = 0.0064 0.0111 0.3984 ( 2564 PWs) bands (ev): 2.0271 2.0271 2.6261 2.6261 8.4194 8.4194 8.4306 8.4306 8.5988 8.5988 8.6648 8.6648 8.6825 8.6825 9.5500 9.5500 10.2033 10.2033 10.2037 10.2037 10.2131 10.2131 10.2193 10.2193 11.6932 11.6932 11.6983 11.6983 12.0548 12.0548 12.0911 12.0911 12.2185 12.2185 12.2499 12.2499 12.4014 12.4014 12.4309 12.4309 12.7050 12.7050 12.7271 12.7271 14.3559 14.3559 15.4771 15.4771 k = 0.0000 0.0000 0.3984 ( 2564 PWs) bands (ev): 2.0258 2.0258 2.6248 2.6248 8.4211 8.4211 8.4317 8.4317 8.6126 8.6126 8.6595 8.6595 8.6742 8.6742 9.5499 9.5499 10.2043 10.2043 10.2054 10.2054 10.2102 10.2102 10.2177 10.2177 11.6941 11.6941 11.6979 11.6979 12.0577 12.0577 12.0939 12.0939 12.2168 12.2168 12.2482 12.2482 12.4023 12.4023 12.4318 12.4318 12.7055 12.7055 12.7276 12.7276 14.3554 14.3554 15.4803 15.4803 k = 0.5000 0.2887 0.3984 ( 2584 PWs) bands (ev): 3.8373 3.8373 4.1171 4.1171 6.0296 6.0296 6.3988 6.3988 8.8977 8.8977 8.9850 8.9850 9.2793 9.2793 9.5840 9.5840 10.1891 10.1891 10.4317 10.4317 10.4475 10.4475 10.5381 10.5381 10.8052 10.8052 11.2310 11.2310 11.2754 11.2754 11.6428 11.6428 11.7818 11.7818 11.8227 11.8227 12.0005 12.0005 12.1870 12.1870 12.3669 12.3669 12.3990 12.3990 12.6603 12.6603 13.0352 13.0352 k = 0.5000 0.2887 0.3856 ( 2570 PWs) bands (ev): 3.8331 3.8331 4.1187 4.1187 6.0280 6.0280 6.4061 6.4061 8.8929 8.8929 8.9855 8.9855 9.2849 9.2849 9.5841 9.5841 10.1854 10.1854 10.4269 10.4269 10.4506 10.4506 10.5430 10.5430 10.8058 10.8058 11.2304 11.2304 11.2736 11.2736 11.6431 11.6431 11.7809 11.7809 11.8212 11.8212 12.0026 12.0026 12.1886 12.1886 12.3660 12.3660 12.3991 12.3991 12.6618 12.6618 13.0354 13.0354 k = 0.5000 0.2887 0.3727 ( 2566 PWs) bands (ev): 3.8210 3.8210 4.1229 4.1229 6.0236 6.0236 6.4273 6.4273 8.8791 8.8791 8.9870 8.9870 9.3005 9.3005 9.5843 9.5843 10.1744 10.1744 10.4151 10.4151 10.4587 10.4587 10.5555 10.5555 10.8071 10.8071 11.2281 11.2281 11.2685 11.2685 11.6434 11.6434 11.7781 11.7781 11.8167 11.8167 12.0084 12.0084 12.1934 12.1934 12.3627 12.3627 12.3991 12.3991 12.6659 12.6659 13.0355 13.0355 k = 0.5000 0.2887 0.3599 ( 2562 PWs) bands (ev): 3.8023 3.8023 4.1286 4.1286 6.0183 6.0183 6.4607 6.4607 8.8585 8.8585 8.9895 8.9895 9.3239 9.3239 9.5845 9.5845 10.1576 10.1576 10.3996 10.3996 10.4704 10.4704 10.5724 10.5724 10.8095 10.8095 11.2236 11.2236 11.2613 11.2613 11.6427 11.6427 11.7739 11.7739 11.8111 11.8111 12.0173 12.0173 12.2006 12.2006 12.3574 12.3575 12.3992 12.3992 12.6727 12.6727 13.0356 13.0356 k = 0.5000 0.2887 0.3470 ( 2562 PWs) bands (ev): 3.7783 3.7783 4.1346 4.1346 6.0138 6.0138 6.5040 6.5040 8.8333 8.8333 8.9932 8.9932 9.3529 9.3529 9.5848 9.5848 10.1364 10.1364 10.3825 10.3825 10.4839 10.4839 10.5913 10.5913 10.8131 10.8131 11.2156 11.2156 11.2540 11.2540 11.6394 11.6394 11.7672 11.7672 11.8074 11.8074 12.0287 12.0287 12.2096 12.2096 12.3501 12.3501 12.3991 12.3991 12.6821 12.6821 13.0356 13.0356 k = 0.5000 0.2887 0.3342 ( 2562 PWs) bands (ev): 3.7504 3.7504 4.1396 4.1396 6.0118 6.0118 6.5555 6.5555 8.8057 8.8057 8.9980 8.9980 9.3851 9.3851 9.5852 9.5852 10.1121 10.1121 10.3649 10.3649 10.4980 10.4980 10.6110 10.6110 10.8179 10.8179 11.2036 11.2036 11.2481 11.2481 11.6324 11.6324 11.7569 11.7569 11.8088 11.8088 12.0416 12.0416 12.2196 12.2196 12.3413 12.3413 12.3993 12.3993 12.6939 12.6939 13.0358 13.0358 k = 0.5000 0.2887 0.3213 ( 2562 PWs) bands (ev): 3.7197 3.7197 4.1428 4.1428 6.0132 6.0132 6.6137 6.6137 8.7769 8.7769 9.0038 9.0038 9.4189 9.4189 9.5855 9.5855 10.0856 10.0856 10.3475 10.3475 10.5115 10.5115 10.6306 10.6306 10.8241 10.8241 11.1884 11.1884 11.2439 11.2439 11.6215 11.6215 11.7433 11.7433 11.8158 11.8158 12.0557 12.0557 12.2297 12.2297 12.3311 12.3311 12.3995 12.3995 12.7080 12.7080 13.0360 13.0360 k = 0.5000 0.2887 0.3085 ( 2574 PWs) bands (ev): 3.6870 3.6870 4.1437 4.1437 6.0187 6.0187 6.6775 6.6775 8.7483 8.7483 9.0106 9.0106 9.4529 9.4529 9.5857 9.5857 10.0576 10.0576 10.3307 10.3307 10.5237 10.5237 10.6494 10.6494 10.8317 10.8317 11.1712 11.1712 11.2409 11.2409 11.6070 11.6070 11.7275 11.7275 11.8272 11.8272 12.0703 12.0703 12.2389 12.2389 12.3201 12.3201 12.4000 12.4000 12.7241 12.7241 13.0362 13.0362 k = 0.5000 0.2887 0.2956 ( 2574 PWs) bands (ev): 3.6532 3.6532 4.1420 4.1420 6.0286 6.0286 6.7461 6.7461 8.7205 8.7205 9.0185 9.0185 9.4860 9.4860 9.5859 9.5859 10.0287 10.0287 10.3148 10.3148 10.5344 10.5344 10.6668 10.6668 10.8406 10.8406 11.1538 11.1538 11.2391 11.2391 11.5900 11.5900 11.7108 11.7108 11.8416 11.8416 12.0851 12.0851 12.2460 12.2460 12.3091 12.3091 12.4008 12.4008 12.7422 12.7422 13.0365 13.0365 k = 0.5000 0.2887 0.2828 ( 2568 PWs) bands (ev): 3.6187 3.6187 4.1377 4.1377 6.0427 6.0427 6.8187 6.8187 8.6944 8.6944 9.0274 9.0274 9.5171 9.5171 9.5859 9.5859 9.9994 9.9994 10.2999 10.2999 10.5434 10.5434 10.6822 10.6822 10.8505 10.8505 11.1371 11.1371 11.2382 11.2382 11.5711 11.5711 11.6937 11.6937 11.8580 11.8580 12.1000 12.1000 12.2488 12.2488 12.3003 12.3003 12.4020 12.4020 12.7621 12.7621 13.0371 13.0371 k = 0.5000 0.2887 0.2699 ( 2576 PWs) bands (ev): 3.5840 3.5840 4.1307 4.1307 6.0609 6.0609 6.8948 6.8948 8.6702 8.6702 9.0372 9.0372 9.5450 9.5450 9.5859 9.5859 9.9699 9.9699 10.2861 10.2861 10.5508 10.5508 10.6947 10.6947 10.8608 10.8608 11.1222 11.1222 11.2386 11.2386 11.5508 11.5508 11.6768 11.6768 11.8753 11.8753 12.1145 12.1145 12.2444 12.2444 12.2962 12.2962 12.4036 12.4036 12.7833 12.7833 13.0376 13.0376 k = 0.5000 0.2887 0.2570 ( 2578 PWs) bands (ev): 3.5494 3.5494 4.1215 4.1215 6.0826 6.0826 6.9738 6.9738 8.6486 8.6486 9.0480 9.0480 9.5677 9.5677 9.5866 9.5866 9.9406 9.9406 10.2736 10.2736 10.5570 10.5570 10.7038 10.7038 10.8712 10.8712 11.1100 11.1100 11.2406 11.2406 11.5298 11.5298 11.6603 11.6603 11.8931 11.8931 12.1285 12.1285 12.2330 12.2330 12.2969 12.2969 12.4056 12.4056 12.8056 12.8056 13.0384 13.0384 k = 0.5000 0.2887 0.2442 ( 2582 PWs) bands (ev): 3.5153 3.5153 4.1101 4.1101 6.1074 6.1074 7.0555 7.0555 8.6299 8.6299 9.0596 9.0596 9.5785 9.5785 9.5935 9.5935 9.9120 9.9120 10.2626 10.2626 10.5625 10.5625 10.7085 10.7085 10.8810 10.8810 11.1014 11.1014 11.2445 11.2445 11.5084 11.5084 11.6446 11.6446 11.9110 11.9110 12.1418 12.1418 12.2173 12.2173 12.3000 12.3000 12.4079 12.4079 12.8288 12.8288 13.0393 13.0393 k = 0.5000 0.2887 0.2313 ( 2584 PWs) bands (ev): 3.4818 3.4818 4.0970 4.0970 6.1348 6.1348 7.1394 7.1394 8.6143 8.6143 9.0720 9.0720 9.5787 9.5787 9.6040 9.6040 9.8844 9.8844 10.2530 10.2530 10.5679 10.5679 10.7086 10.7086 10.8898 10.8898 11.0968 11.0968 11.2508 11.2508 11.4871 11.4871 11.6297 11.6297 11.9285 11.9285 12.1537 12.1537 12.1998 12.1998 12.3036 12.3036 12.4104 12.4104 12.8525 12.8525 13.0407 13.0407 k = 0.5000 0.2887 0.2185 ( 2582 PWs) bands (ev): 3.4493 3.4493 4.0826 4.0826 6.1640 6.1640 7.2252 7.2252 8.6023 8.6023 9.0853 9.0853 9.5767 9.5767 9.6089 9.6089 9.8583 9.8583 10.2450 10.2450 10.5735 10.5735 10.7040 10.7040 10.8975 10.8975 11.0962 11.0962 11.2597 11.2597 11.4661 11.4661 11.6157 11.6157 11.9454 11.9454 12.1602 12.1602 12.1852 12.1852 12.3071 12.3071 12.4132 12.4132 12.8764 12.8764 13.0424 13.0424 k = 0.5000 0.2887 0.2056 ( 2576 PWs) bands (ev): 3.4179 3.4179 4.0672 4.0672 6.1946 6.1946 7.3125 7.3125 8.5940 8.5940 9.0993 9.0993 9.5736 9.5736 9.6061 9.6061 9.8336 9.8336 10.2386 10.2386 10.5796 10.5796 10.6950 10.6950 10.9041 10.9041 11.0993 11.0993 11.2710 11.2710 11.4458 11.4458 11.6027 11.6027 11.9615 11.9615 12.1491 12.1491 12.1862 12.1862 12.3103 12.3103 12.4161 12.4161 12.9001 12.9001 13.0447 13.0447 k = 0.5000 0.2887 0.1928 ( 2576 PWs) bands (ev): 3.3878 3.3878 4.0511 4.0511 6.2258 6.2258 7.4010 7.4010 8.5896 8.5896 9.1139 9.1139 9.5694 9.5694 9.5955 9.5955 9.8098 9.8098 10.2338 10.2338 10.5863 10.5863 10.6822 10.6822 10.9099 10.9099 11.1054 11.1054 11.2847 11.2847 11.4266 11.4266 11.5906 11.5906 11.9765 11.9765 12.1284 12.1284 12.1950 12.1950 12.3131 12.3131 12.4190 12.4190 12.9231 12.9231 13.0477 13.0477 k = 0.5000 0.2887 0.1799 ( 2572 PWs) bands (ev): 3.3591 3.3591 4.0346 4.0346 6.2571 6.2571 7.4903 7.4903 8.5893 8.5893 9.1292 9.1292 9.5639 9.5639 9.5781 9.5781 9.7861 9.7861 10.2306 10.2306 10.5936 10.5936 10.6664 10.6664 10.9156 10.9156 11.1135 11.1135 11.3003 11.3003 11.4089 11.4089 11.5795 11.5795 11.9902 11.9902 12.1057 12.1057 12.2045 12.2045 12.3156 12.3156 12.4220 12.4220 12.9450 12.9450 13.0517 13.0517 k = 0.5000 0.2887 0.1671 ( 2580 PWs) bands (ev): 3.3319 3.3319 4.0182 4.0182 6.2879 6.2879 7.5800 7.5800 8.5931 8.5931 9.1450 9.1450 9.5500 9.5500 9.5617 9.5617 9.7611 9.7611 10.2289 10.2289 10.6008 10.6008 10.6484 10.6484 10.9219 10.9219 11.1226 11.1226 11.3167 11.3167 11.3934 11.3934 11.5694 11.5694 12.0019 12.0019 12.0826 12.0826 12.2133 12.2133 12.3177 12.3177 12.4248 12.4248 12.9652 12.9652 13.0568 13.0568 k = 0.5000 0.2887 0.1542 ( 2580 PWs) bands (ev): 3.3064 3.3064 4.0020 4.0020 6.3178 6.3178 7.6699 7.6699 8.6013 8.6013 9.1613 9.1613 9.5220 9.5220 9.5538 9.5538 9.7337 9.7337 10.2288 10.2288 10.6074 10.6074 10.6290 10.6290 10.9298 10.9298 11.1316 11.1316 11.3327 11.3327 11.3814 11.3814 11.5607 11.5607 12.0102 12.0102 12.0609 12.0609 12.2215 12.2215 12.3196 12.3196 12.4277 12.4277 12.9833 12.9833 13.0636 13.0636 k = 0.5000 0.2887 0.1414 ( 2576 PWs) bands (ev): 3.2827 3.2827 3.9863 3.9863 6.3464 6.3464 7.7594 7.7594 8.6136 8.6136 9.1780 9.1780 9.4891 9.4891 9.5461 9.5461 9.7030 9.7030 10.2302 10.2302 10.6067 10.6067 10.6153 10.6153 10.9401 10.9401 11.1395 11.1395 11.3449 11.3449 11.3756 11.3756 11.5538 11.5538 12.0087 12.0087 12.0471 12.0471 12.2289 12.2289 12.3213 12.3213 12.4307 12.4307 12.9986 12.9986 13.0724 13.0724 k = 0.5000 0.2887 0.1285 ( 2572 PWs) bands (ev): 3.2607 3.2607 3.9713 3.9713 6.3732 6.3732 7.8481 7.8481 8.6302 8.6302 9.1949 9.1949 9.4531 9.4531 9.5377 9.5377 9.6689 9.6689 10.2328 10.2328 10.5869 10.5869 10.6189 10.6189 10.9534 10.9534 11.1455 11.1455 11.3480 11.3480 11.3804 11.3804 11.5496 11.5496 11.9918 11.9918 12.0470 12.0470 12.2354 12.2354 12.3227 12.3227 12.4337 12.4337 13.0111 13.0111 13.0828 13.0828 k = 0.5000 0.2887 0.1157 ( 2580 PWs) bands (ev): 3.2407 3.2407 3.9572 3.9572 6.3980 6.3980 7.9353 7.9353 8.6507 8.6507 9.2119 9.2119 9.4147 9.4147 9.5285 9.5285 9.6312 9.6312 10.2367 10.2367 10.5662 10.5662 10.6217 10.6217 10.9698 10.9698 11.1491 11.1491 11.3462 11.3462 11.3899 11.3899 11.5490 11.5490 11.9679 11.9679 12.0522 12.0522 12.2409 12.2409 12.3238 12.3238 12.4368 12.4368 13.0211 13.0211 13.0943 13.0943 k = 0.5000 0.2887 0.1028 ( 2586 PWs) bands (ev): 3.2226 3.2226 3.9442 3.9442 6.4206 6.4206 8.0206 8.0206 8.6749 8.6749 9.2290 9.2290 9.3747 9.3747 9.5185 9.5185 9.5905 9.5905 10.2416 10.2416 10.5459 10.5459 10.6229 10.6229 10.9891 10.9891 11.1503 11.1503 11.3445 11.3445 11.3975 11.3975 11.5534 11.5534 11.9419 11.9419 12.0578 12.0578 12.2457 12.2457 12.3247 12.3247 12.4400 12.4400 13.0291 13.0291 13.1054 13.1054 k = 0.5000 0.2887 0.0900 ( 2578 PWs) bands (ev): 3.2065 3.2065 3.9324 3.9324 6.4407 6.4407 8.1029 8.1029 8.7025 8.7025 9.2458 9.2458 9.3337 9.3337 9.5076 9.5076 9.5476 9.5476 10.2475 10.2475 10.5263 10.5263 10.6230 10.6230 11.0106 11.0106 11.1498 11.1498 11.3432 11.3432 11.4015 11.4015 11.5635 11.5635 11.9153 11.9153 12.0629 12.0629 12.2498 12.2498 12.3254 12.3254 12.4433 12.4433 13.0359 13.0359 13.1089 13.1089 k = 0.5000 0.2887 0.0771 ( 2578 PWs) bands (ev): 3.1925 3.1925 3.9219 3.9219 6.4582 6.4582 8.1813 8.1813 8.7329 8.7329 9.2616 9.2616 9.2928 9.2928 9.4924 9.4924 9.5069 9.5069 10.2539 10.2539 10.5078 10.5078 10.6220 10.6220 11.0335 11.0335 11.1486 11.1486 11.3407 11.3407 11.4027 11.4027 11.5785 11.5785 11.8882 11.8882 12.0672 12.0672 12.2531 12.2531 12.3258 12.3258 12.4466 12.4466 13.0418 13.0418 13.0935 13.0935 k = 0.5000 0.2887 0.0643 ( 2578 PWs) bands (ev): 3.1805 3.1805 3.9129 3.9129 6.4731 6.4731 8.2543 8.2543 8.7654 8.7654 9.2486 9.2486 9.2802 9.2802 9.4547 9.4547 9.4885 9.4885 10.2607 10.2607 10.4908 10.4908 10.6203 10.6203 11.0561 11.0561 11.1480 11.1480 11.3352 11.3352 11.4030 11.4030 11.5973 11.5973 11.8611 11.8611 12.0705 12.0705 12.2558 12.2558 12.3260 12.3260 12.4497 12.4497 13.0468 13.0468 13.0763 13.0763 k = 0.5000 0.2887 0.0514 ( 2580 PWs) bands (ev): 3.1707 3.1707 3.9054 3.9054 6.4853 6.4853 8.3201 8.3201 8.7991 8.7991 9.2089 9.2089 9.2943 9.2943 9.4122 9.4122 9.4768 9.4768 10.2675 10.2675 10.4756 10.4756 10.6184 10.6184 11.0763 11.0763 11.1503 11.1503 11.3258 11.3258 11.4039 11.4039 11.6187 11.6187 11.8341 11.8341 12.0730 12.0730 12.2578 12.2578 12.3260 12.3260 12.4525 12.4525 13.0510 13.0510 13.0619 13.0619 k = 0.5000 0.2887 0.0386 ( 2580 PWs) bands (ev): 3.1631 3.1631 3.8996 3.8996 6.4948 6.4948 8.3764 8.3764 8.8322 8.8322 9.1711 9.1711 9.3073 9.3073 9.3733 9.3733 9.4664 9.4664 10.2737 10.2737 10.4629 10.4629 10.6167 10.6167 11.0908 11.0908 11.1577 11.1577 11.3130 11.3130 11.4055 11.4055 11.6416 11.6416 11.8074 11.8074 12.0749 12.0749 12.2593 12.2593 12.3260 12.3260 12.4549 12.4549 13.0498 13.0498 13.0552 13.0552 k = 0.5000 0.2887 0.0257 ( 2586 PWs) bands (ev): 3.1576 3.1576 3.8953 3.8953 6.5016 6.5016 8.4202 8.4202 8.8622 8.8622 9.1382 9.1382 9.3171 9.3171 9.3424 9.3424 9.4576 9.4576 10.2790 10.2790 10.4529 10.4529 10.6151 10.6151 11.0985 11.0985 11.1704 11.1704 11.2986 11.2986 11.4074 11.4074 11.6649 11.6649 11.7815 11.7815 12.0761 12.0761 12.2604 12.2604 12.3260 12.3260 12.4567 12.4567 13.0419 13.0419 13.0576 13.0576 k = 0.5000 0.2887 0.0129 ( 2594 PWs) bands (ev): 3.1543 3.1543 3.8927 3.8927 6.5056 6.5056 8.4483 8.4483 8.8846 8.8846 9.1143 9.1143 9.3155 9.3155 9.3301 9.3301 9.4514 9.4514 10.2824 10.2824 10.4466 10.4466 10.6141 10.6141 11.1015 11.1015 11.1833 11.1833 11.2860 11.2860 11.4088 11.4088 11.6867 11.6867 11.7584 11.7584 12.0767 12.0767 12.2609 12.2609 12.3260 12.3260 12.4579 12.4579 13.0368 13.0368 13.0592 13.0592 k = 0.5000 0.2887-0.0000 ( 2594 PWs) bands (ev): 3.1532 3.1532 3.8919 3.8919 6.5070 6.5070 8.4580 8.4580 8.8933 8.8933 9.1052 9.1052 9.3096 9.3096 9.3311 9.3311 9.4492 9.4492 10.2836 10.2836 10.4445 10.4445 10.6138 10.6138 11.1023 11.1023 11.1891 11.1891 11.2805 11.2805 11.4093 11.4093 11.6984 11.6984 11.7463 11.7463 12.0769 12.0769 12.2611 12.2611 12.3260 12.3260 12.4583 12.4583 13.0352 13.0352 13.0597 13.0598 k = 0.3333 0.5774-0.0000 ( 2580 PWs) bands (ev): 3.7771 3.7771 3.7774 3.7774 6.3573 6.3573 8.0714 8.0714 8.0814 8.0814 9.0929 9.0929 9.0963 9.0963 9.2914 9.2914 10.2333 10.2333 10.5002 10.5002 10.6864 10.6864 10.6865 10.6865 11.0699 11.0699 11.1500 11.1500 11.2233 11.2233 11.3445 11.3445 11.6891 11.6891 11.6968 11.6968 12.0916 12.0916 12.1053 12.1053 12.3871 12.3871 12.4503 12.4503 12.4811 12.4811 13.1537 13.1537 k = 0.3333 0.5774 0.0129 ( 2574 PWs) bands (ev): 3.7780 3.7780 3.7783 3.7783 6.3586 6.3586 8.0666 8.0666 8.0765 8.0765 9.0955 9.0955 9.0988 9.0988 9.2882 9.2882 10.2333 10.2333 10.5011 10.5011 10.6865 10.6865 10.6866 10.6866 11.0702 11.0702 11.1491 11.1491 11.2224 11.2224 11.3450 11.3450 11.6893 11.6893 11.6970 11.6970 12.0926 12.0926 12.1065 12.1065 12.3874 12.3874 12.4506 12.4506 12.4809 12.4809 13.1530 13.1530 k = 0.3333 0.5774 0.0257 ( 2574 PWs) bands (ev): 3.7807 3.7807 3.7810 3.7810 6.3625 6.3625 8.0525 8.0525 8.0622 8.0622 9.1030 9.1030 9.1062 9.1062 9.2787 9.2787 10.2333 10.2333 10.5039 10.5039 10.6867 10.6867 10.6868 10.6868 11.0709 11.0709 11.1465 11.1465 11.2198 11.2198 11.3462 11.3462 11.6897 11.6897 11.6975 11.6975 12.0956 12.0956 12.1098 12.1098 12.3883 12.3883 12.4516 12.4516 12.4800 12.4800 13.1510 13.1510 k = 0.3333 0.5774 0.0386 ( 2574 PWs) bands (ev): 3.7852 3.7852 3.7855 3.7855 6.3691 6.3691 8.0295 8.0295 8.0390 8.0390 9.1151 9.1151 9.1179 9.1179 9.2630 9.2630 10.2333 10.2333 10.5082 10.5082 10.6868 10.6868 10.6870 10.6870 11.0720 11.0720 11.1424 11.1424 11.2156 11.2156 11.3484 11.3484 11.6904 11.6904 11.6983 11.6983 12.1004 12.1004 12.1152 12.1152 12.3897 12.3897 12.4530 12.4530 12.4785 12.4785 13.1477 13.1477 k = 0.3333 0.5774 0.0514 ( 2568 PWs) bands (ev): 3.7915 3.7915 3.7918 3.7918 6.3783 6.3783 7.9984 7.9984 8.0077 8.0077 9.1309 9.1309 9.1333 9.1333 9.2413 9.2413 10.2335 10.2335 10.5139 10.5139 10.6871 10.6871 10.6872 10.6872 11.0734 11.0734 11.1369 11.1369 11.2100 11.2100 11.3515 11.3515 11.6913 11.6913 11.6995 11.6995 12.1069 12.1069 12.1225 12.1225 12.3919 12.3919 12.4552 12.4552 12.4765 12.4765 13.1430 13.1430 k = 0.3333 0.5774 0.0643 ( 2577 PWs) bands (ev): 3.7995 3.7995 3.7999 3.7999 6.3901 6.3901 7.9602 7.9602 7.9692 7.9692 9.1497 9.1497 9.1515 9.1515 9.2141 9.2141 10.2337 10.2337 10.5205 10.5205 10.6872 10.6872 10.6874 10.6874 11.0751 11.0751 11.1300 11.1300 11.2031 11.2031 11.3555 11.3555 11.6924 11.6924 11.7009 11.7009 12.1149 12.1149 12.1314 12.1314 12.3944 12.3944 12.4579 12.4579 12.4740 12.4740 13.1370 13.1370 k = 0.3333 0.5774 0.0771 ( 2577 PWs) bands (ev): 3.8092 3.8092 3.8096 3.8096 6.4045 6.4045 7.9159 7.9159 7.9246 7.9246 9.1708 9.1708 9.1715 9.1715 9.1821 9.1821 10.2344 10.2344 10.5277 10.5277 10.6872 10.6872 10.6874 10.6874 11.0770 11.0770 11.1223 11.1223 11.1954 11.1954 11.3606 11.3606 11.6939 11.6939 11.7027 11.7027 12.1240 12.1240 12.1417 12.1417 12.3976 12.3976 12.4611 12.4611 12.4711 12.4711 13.1298 13.1298 k = 0.3333 0.5774 0.0900 ( 2577 PWs) bands (ev): 3.8206 3.8206 3.8210 3.8210 6.4215 6.4215 7.8664 7.8664 7.8748 7.8748 9.1440 9.1440 9.1932 9.1932 9.1942 9.1942 10.2354 10.2354 10.5352 10.5352 10.6870 10.6870 10.6871 10.6871 11.0791 11.0791 11.1139 11.1139 11.1872 11.1872 11.3668 11.3668 11.6959 11.6959 11.7051 11.7051 12.1340 12.1340 12.1529 12.1529 12.4012 12.4012 12.4649 12.4649 12.4678 12.4678 13.1212 13.1212 k = 0.3333 0.5774 0.1028 ( 2577 PWs) bands (ev): 3.8335 3.8335 3.8340 3.8340 6.4410 6.4410 7.8126 7.8126 7.8208 7.8208 9.1022 9.1022 9.2166 9.2166 9.2169 9.2169 10.2369 10.2369 10.5425 10.5425 10.6864 10.6864 10.6864 10.6864 11.0812 11.0812 11.1050 11.1050 11.1788 11.1788 11.3740 11.3740 11.6983 11.6983 11.7079 11.7079 12.1445 12.1445 12.1648 12.1648 12.4053 12.4053 12.4642 12.4642 12.4693 12.4693 13.1115 13.1115 k = 0.3333 0.5774 0.1157 ( 2568 PWs) bands (ev): 3.8480 3.8480 3.8485 3.8485 6.4630 6.4630 7.7554 7.7554 7.7634 7.7634 9.0565 9.0565 9.2400 9.2400 9.2402 9.2402 10.2390 10.2390 10.5495 10.5495 10.6853 10.6853 10.6855 10.6855 11.0832 11.0832 11.0958 11.0958 11.1705 11.1705 11.3825 11.3825 11.7013 11.7013 11.7115 11.7115 12.1551 12.1551 12.1770 12.1770 12.4099 12.4099 12.4606 12.4606 12.4742 12.4742 13.1006 13.1006 k = 0.3333 0.5774 0.1285 ( 2568 PWs) bands (ev): 3.8639 3.8639 3.8644 3.8644 6.4874 6.4874 7.6954 7.6954 7.7033 7.7033 9.0071 9.0071 9.2630 9.2630 9.2637 9.2637 10.2414 10.2414 10.5558 10.5558 10.6837 10.6837 10.6841 10.6841 11.0847 11.0847 11.0865 11.0865 11.1625 11.1625 11.3919 11.3919 11.7050 11.7050 11.7156 11.7156 12.1656 12.1656 12.1889 12.1889 12.4149 12.4149 12.4568 12.4568 12.4797 12.4797 13.0886 13.0886 k = 0.3333 0.5774 0.1414 ( 2568 PWs) bands (ev): 3.8811 3.8811 3.8817 3.8817 6.5143 6.5143 7.6335 7.6335 7.6412 7.6412 8.9545 8.9545 9.2856 9.2856 9.2868 9.2868 10.2442 10.2442 10.5612 10.5612 10.6816 10.6816 10.6823 10.6823 11.0773 11.0773 11.0858 11.0858 11.1553 11.1553 11.4024 11.4024 11.7093 11.7093 11.7206 11.7206 12.1756 12.1756 12.2004 12.2004 12.4203 12.4203 12.4532 12.4532 12.4857 12.4857 13.0755 13.0755 k = 0.3333 0.5774 0.1542 ( 2583 PWs) bands (ev): 3.8996 3.8996 3.9002 3.9002 6.5435 6.5435 7.5701 7.5701 7.5778 7.5778 8.8991 8.8991 9.3076 9.3076 9.3091 9.3091 10.2474 10.2474 10.5656 10.5656 10.6788 10.6788 10.6799 10.6799 11.0680 11.0680 11.0859 11.0859 11.1490 11.1490 11.4137 11.4137 11.7145 11.7145 11.7263 11.7263 12.1846 12.1846 12.2109 12.2109 12.4258 12.4258 12.4500 12.4500 12.4921 12.4921 13.0615 13.0615 k = 0.3333 0.5774 0.1671 ( 2589 PWs) bands (ev): 3.9191 3.9191 3.9199 3.9199 6.5750 6.5750 7.5058 7.5058 7.5135 7.5135 8.8412 8.8412 9.3287 9.3287 9.3306 9.3306 10.2512 10.2512 10.5691 10.5691 10.6756 10.6756 10.6773 10.6773 11.0590 11.0590 11.0851 11.0851 11.1442 11.1442 11.4259 11.4259 11.7205 11.7205 11.7330 11.7330 12.1926 12.1926 12.2203 12.2203 12.4311 12.4311 12.4477 12.4477 12.4991 12.4991 13.0464 13.0464 k = 0.3333 0.5774 0.1799 ( 2592 PWs) bands (ev): 3.9397 3.9397 3.9405 3.9405 6.6087 6.6087 7.4413 7.4413 7.4489 7.4489 8.7812 8.7812 9.3489 9.3489 9.3511 9.3511 10.2554 10.2554 10.5712 10.5712 10.6719 10.6719 10.6743 10.6743 11.0501 11.0501 11.0830 11.0830 11.1408 11.1408 11.4388 11.4388 11.7276 11.7276 11.7408 11.7408 12.1992 12.1992 12.2283 12.2283 12.4344 12.4344 12.4484 12.4484 12.5068 12.5068 13.0307 13.0307 k = 0.3333 0.5774 0.1928 ( 2583 PWs) bands (ev): 3.9610 3.9610 3.9619 3.9619 6.6446 6.6446 7.3770 7.3770 7.3846 7.3846 8.7194 8.7194 9.3681 9.3681 9.3705 9.3705 10.2601 10.2601 10.5723 10.5723 10.6679 10.6679 10.6711 10.6711 11.0414 11.0414 11.0799 11.0799 11.1392 11.1392 11.4521 11.4521 11.7358 11.7358 11.7497 11.7497 12.2044 12.2044 12.2346 12.2346 12.4346 12.4346 12.4534 12.4534 12.5149 12.5149 13.0142 13.0142 k = 0.3333 0.5774 0.2056 ( 2583 PWs) bands (ev): 3.9830 3.9830 3.9839 3.9839 6.6826 6.6826 7.3133 7.3133 7.3209 7.3209 8.6561 8.6561 9.3861 9.3861 9.3888 9.3888 10.2652 10.2652 10.5721 10.5721 10.6635 10.6635 10.6677 10.6677 11.0328 11.0328 11.0756 11.0756 11.1388 11.1388 11.4658 11.4658 11.7449 11.7449 11.7595 11.7595 12.2079 12.2079 12.2392 12.2392 12.4333 12.4333 12.4608 12.4608 12.5235 12.5235 12.9971 12.9971 k = 0.3333 0.5774 0.2185 ( 2577 PWs) bands (ev): 4.0054 4.0054 4.0064 4.0064 6.7225 6.7225 7.2508 7.2508 7.2584 7.2584 8.5916 8.5916 9.4031 9.4031 9.4060 9.4060 10.2706 10.2706 10.5710 10.5710 10.6590 10.6590 10.6643 10.6643 11.0244 11.0244 11.0705 11.0705 11.1396 11.1396 11.4795 11.4795 11.7551 11.7551 11.7703 11.7703 12.2098 12.2098 12.2419 12.2419 12.4320 12.4320 12.4692 12.4692 12.5324 12.5324 12.9796 12.9796 k = 0.3333 0.5774 0.2313 ( 2583 PWs) bands (ev): 4.0280 4.0280 4.0291 4.0291 6.7642 6.7642 7.1899 7.1899 7.1975 7.1975 8.5263 8.5263 9.4188 9.4188 9.4217 9.4217 10.2762 10.2762 10.5687 10.5687 10.6544 10.6544 10.6609 10.6609 11.0161 11.0161 11.0648 11.0648 11.1411 11.1411 11.4931 11.4931 11.7660 11.7660 11.7819 11.7819 12.2099 12.2099 12.2428 12.2428 12.4311 12.4311 12.4780 12.4781 12.5414 12.5414 12.9616 12.9616 k = 0.3333 0.5774 0.2442 ( 2577 PWs) bands (ev): 4.0506 4.0506 4.0518 4.0518 6.8077 6.8077 7.1310 7.1310 7.1387 7.1387 8.4604 8.4604 9.4333 9.4333 9.4364 9.4364 10.2822 10.2822 10.5656 10.5656 10.6498 10.6498 10.6577 10.6577 11.0079 11.0079 11.0588 11.0588 11.1433 11.1433 11.5064 11.5064 11.7779 11.7779 11.7944 11.7944 12.2084 12.2084 12.2420 12.2420 12.4307 12.4307 12.4872 12.4872 12.5506 12.5506 12.9436 12.9436 k = 0.3333 0.5774 0.2570 ( 2577 PWs) bands (ev): 4.0730 4.0730 4.0743 4.0743 6.8526 6.8526 7.0746 7.0746 7.0824 7.0824 8.3943 8.3943 9.4467 9.4467 9.4497 9.4497 10.2884 10.2884 10.5616 10.5616 10.6454 10.6454 10.6546 10.6546 11.0000 11.0000 11.0527 11.0527 11.1459 11.1459 11.5193 11.5193 11.7904 11.7904 11.8075 11.8075 12.2054 12.2054 12.2396 12.2396 12.4311 12.4311 12.4963 12.4963 12.5597 12.5597 12.9254 12.9254 k = 0.3333 0.5774 0.2699 ( 2571 PWs) bands (ev): 4.0949 4.0949 4.0963 4.0963 6.8988 6.8988 7.0212 7.0212 7.0291 7.0291 8.3283 8.3283 9.4589 9.4589 9.4619 9.4619 10.2948 10.2948 10.5570 10.5570 10.6412 10.6412 10.6519 10.6519 10.9922 10.9922 11.0466 11.0466 11.1486 11.1486 11.5316 11.5316 11.8036 11.8036 11.8212 11.8212 12.2010 12.2010 12.2358 12.2358 12.4322 12.4322 12.5053 12.5053 12.5687 12.5687 12.9074 12.9074 k = 0.3333 0.5774 0.2828 ( 2568 PWs) bands (ev): 4.1159 4.1159 4.1174 4.1174 6.9455 6.9455 6.9716 6.9716 6.9791 6.9791 8.2629 8.2629 9.4699 9.4699 9.4729 9.4729 10.3013 10.3013 10.5519 10.5519 10.6372 10.6372 10.6494 10.6494 10.9848 10.9848 11.0407 11.0407 11.1515 11.1515 11.5432 11.5432 11.8171 11.8171 11.8351 11.8351 12.1953 12.1953 12.2308 12.2308 12.4340 12.4340 12.5138 12.5138 12.5772 12.5772 12.8897 12.8897 k = 0.3333 0.5774 0.2956 ( 2568 PWs) bands (ev): 4.1359 4.1359 4.1375 4.1375 6.9245 6.9245 6.9329 6.9329 6.9942 6.9942 8.1984 8.1984 9.4796 9.4796 9.4826 9.4826 10.3077 10.3077 10.5465 10.5465 10.6336 10.6336 10.6473 10.6473 10.9778 10.9778 11.0350 11.0350 11.1544 11.1544 11.5537 11.5537 11.8307 11.8307 11.8491 11.8491 12.1887 12.1887 12.2247 12.2247 12.4364 12.4364 12.5217 12.5217 12.5852 12.5852 12.8726 12.8726 k = 0.3333 0.5774 0.3085 ( 2562 PWs) bands (ev): 4.1544 4.1544 4.1561 4.1561 6.8826 6.8826 6.8909 6.8909 7.0421 7.0421 8.1356 8.1356 9.4883 9.4883 9.4912 9.4912 10.3140 10.3140 10.5409 10.5409 10.6304 10.6304 10.6456 10.6456 10.9712 10.9712 11.0298 11.0298 11.1572 11.1572 11.5633 11.5633 11.8443 11.8443 11.8630 11.8630 12.1814 12.1814 12.2180 12.2180 12.4394 12.4394 12.5290 12.5290 12.5925 12.5925 12.8565 12.8565 k = 0.3333 0.5774 0.3213 ( 2562 PWs) bands (ev): 4.1713 4.1713 4.1731 4.1731 6.8452 6.8452 6.8536 6.8536 7.0896 7.0896 8.0750 8.0750 9.4957 9.4957 9.4985 9.4985 10.3200 10.3200 10.5353 10.5353 10.6275 10.6275 10.6441 10.6441 10.9653 10.9653 11.0249 11.0249 11.1598 11.1598 11.5718 11.5718 11.8574 11.8574 11.8762 11.8762 12.1736 12.1736 12.2108 12.2108 12.4428 12.4428 12.5355 12.5355 12.5991 12.5991 12.8414 12.8414 k = 0.3333 0.5774 0.3342 ( 2562 PWs) bands (ev): 4.1861 4.1861 4.1880 4.1880 6.8128 6.8128 6.8212 6.8212 7.1357 7.1357 8.0178 8.0178 9.5020 9.5020 9.5047 9.5047 10.3255 10.3255 10.5300 10.5300 10.6252 10.6252 10.6430 10.6430 10.9600 10.9600 11.0207 11.0207 11.1621 11.1621 11.5790 11.5790 11.8698 11.8698 11.8886 11.8886 12.1658 12.1658 12.2036 12.2036 12.4463 12.4463 12.5411 12.5411 12.6049 12.6049 12.8278 12.8278 k = 0.3333 0.5774 0.3470 ( 2562 PWs) bands (ev): 4.1987 4.1987 4.2006 4.2006 6.7858 6.7858 6.7942 6.7942 7.1789 7.1789 7.9654 7.9654 9.5071 9.5071 9.5098 9.5098 10.3305 10.3305 10.5252 10.5252 10.6232 10.6232 10.6422 10.6422 10.9555 10.9555 11.0171 11.0171 11.1641 11.1641 11.5850 11.5850 11.8809 11.8809 11.8996 11.8996 12.1584 12.1584 12.1968 12.1968 12.4497 12.4497 12.5458 12.5458 12.6097 12.6097 12.8160 12.8160 k = 0.3333 0.5774 0.3599 ( 2571 PWs) bands (ev): 4.2088 4.2088 4.2108 4.2108 6.7644 6.7644 6.7729 6.7729 7.2174 7.2174 7.9197 7.9197 9.5110 9.5110 9.5136 9.5136 10.3346 10.3346 10.5210 10.5210 10.6216 10.6216 10.6415 10.6415 10.9518 10.9518 11.0141 11.0141 11.1657 11.1657 11.5896 11.5896 11.8902 11.8902 11.9088 11.9088 12.1518 12.1518 12.1908 12.1908 12.4527 12.4527 12.5494 12.5494 12.6135 12.6135 12.8063 12.8063 k = 0.3333 0.5774 0.3727 ( 2571 PWs) bands (ev): 4.2161 4.2161 4.2182 4.2182 6.7489 6.7489 6.7575 6.7575 7.2485 7.2485 7.8834 7.8834 9.5139 9.5139 9.5164 9.5164 10.3377 10.3377 10.5179 10.5179 10.6205 10.6205 10.6411 10.6411 10.9492 10.9492 11.0120 11.0120 11.1668 11.1668 11.5930 11.5930 11.8975 11.8975 11.9159 11.9159 12.1467 12.1467 12.1860 12.1860 12.4552 12.4552 12.5521 12.5521 12.6162 12.6162 12.7991 12.7991 k = 0.3333 0.5774 0.3856 ( 2577 PWs) bands (ev): 4.2206 4.2206 4.2227 4.2227 6.7395 6.7395 6.7481 6.7481 7.2691 7.2691 7.8597 7.8597 9.5155 9.5155 9.5180 9.5180 10.3397 10.3397 10.5159 10.5159 10.6198 10.6198 10.6408 10.6408 10.9475 10.9475 11.0107 11.0107 11.1675 11.1675 11.5950 11.5950 11.9020 11.9020 11.9203 11.9203 12.1433 12.1433 12.1830 12.1830 12.4568 12.4568 12.5537 12.5537 12.6178 12.6179 12.7946 12.7946 k = 0.3333 0.5774 0.3984 ( 2574 PWs) bands (ev): 4.2221 4.2221 4.2242 4.2242 6.7364 6.7364 6.7450 6.7450 7.2764 7.2764 7.8514 7.8514 9.5161 9.5161 9.5186 9.5186 10.3403 10.3403 10.5153 10.5153 10.6196 10.6196 10.6407 10.6407 10.9470 10.9470 11.0102 11.0102 11.1678 11.1678 11.5957 11.5957 11.9036 11.9036 11.9219 11.9219 12.1422 12.1422 12.1820 12.1820 12.4574 12.4574 12.5542 12.5542 12.6184 12.6184 12.7931 12.7931 Writing output data file Fe2Si.save init_run : 0.18s CPU 0.33s WALL ( 1 calls) electrons : 145.17s CPU 147.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 145.16s CPU 147.73s 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 : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 348 calls) cegterg : 129.44s CPU 131.49s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 80.01s CPU 81.58s WALL ( 7538 calls) s_psi : 7.88s CPU 7.86s WALL ( 7538 calls) g_psi : 0.14s CPU 0.15s WALL ( 6723 calls) cdiaghg : 42.84s CPU 43.52s WALL ( 7071 calls) cegterg:over : 4.44s CPU 4.51s WALL ( 6723 calls) cegterg:upda : 2.78s CPU 3.02s WALL ( 6723 calls) cegterg:last : 2.30s CPU 2.20s WALL ( 1511 calls) cdiaghg:chol : 2.42s CPU 2.40s WALL ( 7071 calls) cdiaghg:inve : 1.48s CPU 1.54s WALL ( 7071 calls) cdiaghg:para : 2.62s CPU 2.56s WALL ( 14142 calls) Called by h_psi: h_psi:vloc : 63.30s CPU 64.73s WALL ( 7538 calls) h_psi:vnl : 16.55s CPU 16.71s WALL ( 7538 calls) add_vuspsi : 9.22s CPU 9.38s WALL ( 7538 calls) General routines calbec : 7.32s CPU 7.30s WALL ( 7538 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.92s CPU 61.18s WALL ( 916832 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.13s WALL ( 696 calls) Parallel routines fft_scatter : 23.95s CPU 24.49s WALL ( 916855 calls) PWSCF : 2m37.59s CPU 2m51.81s WALL This run was terminated on: 18:16: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=