Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 6:40 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: ./Te2Pd.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 60 26 7 2908 820 129 Max 61 27 8 2915 843 136 Sum 2185 955 283 104783 29933 4735 bravais-lattice index = 14 lattice parameter (alat) = 7.6279 a.u. unit-cell volume = 488.1267 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.627879 celldm(2)= 1.000000 celldm(3)= 1.269962 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 1.269962 ) 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 0.787425 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Te 6.00 127.60000 Te( 1.00) Pd 18.00 106.42000 Pd( 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 0.0127004), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0254008), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0381012), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0508016), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0635020), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0762025), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0889029), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.1016033), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1143037), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1270041), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1397045), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1524049), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1651053), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1778057), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1905061), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2032066), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2159070), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2286074), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2413078), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2540082), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2667086), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2794090), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2921094), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3048098), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3175102), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3302106), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3429111), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3556115), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3683119), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.3810123), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.3937127), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.3937127), wk = 0.0028736 k( 160) = ( 0.0111111 0.0064150 0.3937127), wk = 0.0028736 k( 161) = ( 0.0222222 0.0128300 0.3937127), wk = 0.0028736 k( 162) = ( 0.0333333 0.0192450 0.3937127), wk = 0.0028736 k( 163) = ( 0.0444444 0.0256600 0.3937127), wk = 0.0028736 k( 164) = ( 0.0555556 0.0320750 0.3937127), wk = 0.0028736 k( 165) = ( 0.0666667 0.0384900 0.3937127), wk = 0.0028736 k( 166) = ( 0.0777778 0.0449050 0.3937127), wk = 0.0028736 k( 167) = ( 0.0888889 0.0513200 0.3937127), wk = 0.0028736 k( 168) = ( 0.1000000 0.0577350 0.3937127), wk = 0.0028736 k( 169) = ( 0.1111111 0.0641500 0.3937127), wk = 0.0028736 k( 170) = ( 0.1222222 0.0705650 0.3937127), wk = 0.0028736 k( 171) = ( 0.1333333 0.0769800 0.3937127), wk = 0.0028736 k( 172) = ( 0.1444444 0.0833950 0.3937127), wk = 0.0028736 k( 173) = ( 0.1555556 0.0898100 0.3937127), wk = 0.0028736 k( 174) = ( 0.1666667 0.0962250 0.3937127), wk = 0.0028736 k( 175) = ( 0.1777778 0.1026400 0.3937127), wk = 0.0028736 k( 176) = ( 0.1888889 0.1090551 0.3937127), wk = 0.0028736 k( 177) = ( 0.2000000 0.1154701 0.3937127), wk = 0.0028736 k( 178) = ( 0.2111111 0.1218851 0.3937127), wk = 0.0028736 k( 179) = ( 0.2222222 0.1283001 0.3937127), wk = 0.0028736 k( 180) = ( 0.2333333 0.1347151 0.3937127), wk = 0.0028736 k( 181) = ( 0.2444444 0.1411301 0.3937127), wk = 0.0028736 k( 182) = ( 0.2555556 0.1475451 0.3937127), wk = 0.0028736 k( 183) = ( 0.2666667 0.1539601 0.3937127), wk = 0.0028736 k( 184) = ( 0.2777778 0.1603751 0.3937127), wk = 0.0028736 k( 185) = ( 0.2888889 0.1667901 0.3937127), wk = 0.0028736 k( 186) = ( 0.3000000 0.1732051 0.3937127), wk = 0.0028736 k( 187) = ( 0.3111111 0.1796201 0.3937127), wk = 0.0028736 k( 188) = ( 0.3222222 0.1860351 0.3937127), wk = 0.0028736 k( 189) = ( 0.3333333 0.1924501 0.3937127), wk = 0.0028736 k( 190) = ( 0.3444444 0.1988651 0.3937127), wk = 0.0028736 k( 191) = ( 0.3555556 0.2052801 0.3937127), wk = 0.0028736 k( 192) = ( 0.3666667 0.2116951 0.3937127), wk = 0.0028736 k( 193) = ( 0.3777778 0.2181101 0.3937127), wk = 0.0028736 k( 194) = ( 0.3888889 0.2245251 0.3937127), wk = 0.0028736 k( 195) = ( 0.4000000 0.2309401 0.3937127), wk = 0.0028736 k( 196) = ( 0.4111111 0.2373551 0.3937127), wk = 0.0028736 k( 197) = ( 0.4222222 0.2437701 0.3937127), wk = 0.0028736 k( 198) = ( 0.4333333 0.2501851 0.3937127), wk = 0.0028736 k( 199) = ( 0.4444444 0.2566001 0.3937127), wk = 0.0028736 k( 200) = ( 0.4555556 0.2630151 0.3937127), wk = 0.0028736 k( 201) = ( 0.4666667 0.2694301 0.3937127), wk = 0.0028736 k( 202) = ( 0.4777778 0.2758451 0.3937127), wk = 0.0028736 k( 203) = ( 0.4888889 0.2822601 0.3937127), wk = 0.0028736 k( 204) = ( 0.5000000 0.2886751 0.3937127), wk = 0.0028736 k( 205) = ( 0.5000000 0.2886751 0.3937127), wk = 0.0028736 k( 206) = ( 0.4935897 0.2997780 0.3937127), wk = 0.0028736 k( 207) = ( 0.4871795 0.3108809 0.3937127), wk = 0.0028736 k( 208) = ( 0.4807692 0.3219838 0.3937127), wk = 0.0028736 k( 209) = ( 0.4743590 0.3330867 0.3937127), wk = 0.0028736 k( 210) = ( 0.4679487 0.3441896 0.3937127), wk = 0.0028736 k( 211) = ( 0.4615385 0.3552925 0.3937127), wk = 0.0028736 k( 212) = ( 0.4551282 0.3663954 0.3937127), wk = 0.0028736 k( 213) = ( 0.4487179 0.3774983 0.3937127), wk = 0.0028736 k( 214) = ( 0.4423077 0.3886011 0.3937127), wk = 0.0028736 k( 215) = ( 0.4358974 0.3997040 0.3937127), wk = 0.0028736 k( 216) = ( 0.4294872 0.4108069 0.3937127), wk = 0.0028736 k( 217) = ( 0.4230769 0.4219098 0.3937127), wk = 0.0028736 k( 218) = ( 0.4166667 0.4330127 0.3937127), wk = 0.0028736 k( 219) = ( 0.4102564 0.4441156 0.3937127), wk = 0.0028736 k( 220) = ( 0.4038462 0.4552185 0.3937127), wk = 0.0028736 k( 221) = ( 0.3974359 0.4663214 0.3937127), wk = 0.0028736 k( 222) = ( 0.3910256 0.4774243 0.3937127), wk = 0.0028736 k( 223) = ( 0.3846154 0.4885271 0.3937127), wk = 0.0028736 k( 224) = ( 0.3782051 0.4996300 0.3937127), wk = 0.0028736 k( 225) = ( 0.3717949 0.5107329 0.3937127), wk = 0.0028736 k( 226) = ( 0.3653846 0.5218358 0.3937127), wk = 0.0028736 k( 227) = ( 0.3589744 0.5329387 0.3937127), wk = 0.0028736 k( 228) = ( 0.3525641 0.5440416 0.3937127), wk = 0.0028736 k( 229) = ( 0.3461538 0.5551445 0.3937127), wk = 0.0028736 k( 230) = ( 0.3397436 0.5662474 0.3937127), wk = 0.0028736 k( 231) = ( 0.3333333 0.5773503 0.3937127), wk = 0.0028736 k( 232) = ( 0.3333333 0.5773503 0.3937127), wk = 0.0028736 k( 233) = ( 0.3269231 0.5662474 0.3937127), wk = 0.0028736 k( 234) = ( 0.3205128 0.5551445 0.3937127), wk = 0.0028736 k( 235) = ( 0.3141026 0.5440416 0.3937127), wk = 0.0028736 k( 236) = ( 0.3076923 0.5329387 0.3937127), wk = 0.0028736 k( 237) = ( 0.3012821 0.5218358 0.3937127), wk = 0.0028736 k( 238) = ( 0.2948718 0.5107329 0.3937127), wk = 0.0028736 k( 239) = ( 0.2884615 0.4996300 0.3937127), wk = 0.0028736 k( 240) = ( 0.2820513 0.4885271 0.3937127), wk = 0.0028736 k( 241) = ( 0.2756410 0.4774243 0.3937127), wk = 0.0028736 k( 242) = ( 0.2692308 0.4663214 0.3937127), wk = 0.0028736 k( 243) = ( 0.2628205 0.4552185 0.3937127), wk = 0.0028736 k( 244) = ( 0.2564103 0.4441156 0.3937127), wk = 0.0028736 k( 245) = ( 0.2500000 0.4330127 0.3937127), wk = 0.0028736 k( 246) = ( 0.2435897 0.4219098 0.3937127), wk = 0.0028736 k( 247) = ( 0.2371795 0.4108069 0.3937127), wk = 0.0028736 k( 248) = ( 0.2307692 0.3997040 0.3937127), wk = 0.0028736 k( 249) = ( 0.2243590 0.3886011 0.3937127), wk = 0.0028736 k( 250) = ( 0.2179487 0.3774983 0.3937127), wk = 0.0028736 k( 251) = ( 0.2115385 0.3663954 0.3937127), wk = 0.0028736 k( 252) = ( 0.2051282 0.3552925 0.3937127), wk = 0.0028736 k( 253) = ( 0.1987180 0.3441896 0.3937127), wk = 0.0028736 k( 254) = ( 0.1923077 0.3330867 0.3937127), wk = 0.0028736 k( 255) = ( 0.1858974 0.3219838 0.3937127), wk = 0.0028736 k( 256) = ( 0.1794872 0.3108809 0.3937127), wk = 0.0028736 k( 257) = ( 0.1730769 0.2997780 0.3937127), wk = 0.0028736 k( 258) = ( 0.1666667 0.2886751 0.3937127), wk = 0.0028736 k( 259) = ( 0.1602564 0.2775722 0.3937127), wk = 0.0028736 k( 260) = ( 0.1538461 0.2664693 0.3937127), wk = 0.0028736 k( 261) = ( 0.1474359 0.2553665 0.3937127), wk = 0.0028736 k( 262) = ( 0.1410256 0.2442636 0.3937127), wk = 0.0028736 k( 263) = ( 0.1346154 0.2331607 0.3937127), wk = 0.0028736 k( 264) = ( 0.1282051 0.2220578 0.3937127), wk = 0.0028736 k( 265) = ( 0.1217949 0.2109549 0.3937127), wk = 0.0028736 k( 266) = ( 0.1153846 0.1998520 0.3937127), wk = 0.0028736 k( 267) = ( 0.1089744 0.1887491 0.3937127), wk = 0.0028736 k( 268) = ( 0.1025641 0.1776462 0.3937127), wk = 0.0028736 k( 269) = ( 0.0961538 0.1665434 0.3937127), wk = 0.0028736 k( 270) = ( 0.0897436 0.1554405 0.3937127), wk = 0.0028736 k( 271) = ( 0.0833333 0.1443376 0.3937127), wk = 0.0028736 k( 272) = ( 0.0769231 0.1332347 0.3937127), wk = 0.0028736 k( 273) = ( 0.0705128 0.1221318 0.3937127), wk = 0.0028736 k( 274) = ( 0.0641026 0.1110289 0.3937127), wk = 0.0028736 k( 275) = ( 0.0576923 0.0999260 0.3937127), wk = 0.0028736 k( 276) = ( 0.0512821 0.0888231 0.3937127), wk = 0.0028736 k( 277) = ( 0.0448718 0.0777202 0.3937127), wk = 0.0028736 k( 278) = ( 0.0384615 0.0666173 0.3937127), wk = 0.0028736 k( 279) = ( 0.0320513 0.0555144 0.3937127), wk = 0.0028736 k( 280) = ( 0.0256410 0.0444116 0.3937127), wk = 0.0028736 k( 281) = ( 0.0192308 0.0333087 0.3937127), wk = 0.0028736 k( 282) = ( 0.0128205 0.0222058 0.3937127), wk = 0.0028736 k( 283) = ( 0.0064103 0.0111029 0.3937127), wk = 0.0028736 k( 284) = ( 0.0000000 0.0000000 0.3937127), wk = 0.0028736 k( 285) = ( 0.5000000 0.2886751 0.3937127), wk = 0.0028736 k( 286) = ( 0.5000000 0.2886751 0.3810123), wk = 0.0028736 k( 287) = ( 0.5000000 0.2886751 0.3683119), wk = 0.0028736 k( 288) = ( 0.5000000 0.2886751 0.3556115), wk = 0.0028736 k( 289) = ( 0.5000000 0.2886751 0.3429111), wk = 0.0028736 k( 290) = ( 0.5000000 0.2886751 0.3302106), wk = 0.0028736 k( 291) = ( 0.5000000 0.2886751 0.3175102), wk = 0.0028736 k( 292) = ( 0.5000000 0.2886751 0.3048098), wk = 0.0028736 k( 293) = ( 0.5000000 0.2886751 0.2921094), wk = 0.0028736 k( 294) = ( 0.5000000 0.2886751 0.2794090), wk = 0.0028736 k( 295) = ( 0.5000000 0.2886751 0.2667086), wk = 0.0028736 k( 296) = ( 0.5000000 0.2886751 0.2540082), wk = 0.0028736 k( 297) = ( 0.5000000 0.2886751 0.2413078), wk = 0.0028736 k( 298) = ( 0.5000000 0.2886751 0.2286074), wk = 0.0028736 k( 299) = ( 0.5000000 0.2886751 0.2159070), wk = 0.0028736 k( 300) = ( 0.5000000 0.2886751 0.2032066), wk = 0.0028736 k( 301) = ( 0.5000000 0.2886751 0.1905061), wk = 0.0028736 k( 302) = ( 0.5000000 0.2886751 0.1778057), wk = 0.0028736 k( 303) = ( 0.5000000 0.2886751 0.1651053), wk = 0.0028736 k( 304) = ( 0.5000000 0.2886751 0.1524049), wk = 0.0028736 k( 305) = ( 0.5000000 0.2886751 0.1397045), wk = 0.0028736 k( 306) = ( 0.5000000 0.2886751 0.1270041), wk = 0.0028736 k( 307) = ( 0.5000000 0.2886751 0.1143037), wk = 0.0028736 k( 308) = ( 0.5000000 0.2886751 0.1016033), wk = 0.0028736 k( 309) = ( 0.5000000 0.2886751 0.0889029), wk = 0.0028736 k( 310) = ( 0.5000000 0.2886751 0.0762025), wk = 0.0028736 k( 311) = ( 0.5000000 0.2886751 0.0635020), wk = 0.0028736 k( 312) = ( 0.5000000 0.2886751 0.0508016), wk = 0.0028736 k( 313) = ( 0.5000000 0.2886751 0.0381012), wk = 0.0028736 k( 314) = ( 0.5000000 0.2886751 0.0254008), wk = 0.0028736 k( 315) = ( 0.5000000 0.2886751 0.0127004), 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 0.0127004), wk = 0.0028736 k( 319) = ( 0.3333333 0.5773503 0.0254008), wk = 0.0028736 k( 320) = ( 0.3333333 0.5773503 0.0381012), wk = 0.0028736 k( 321) = ( 0.3333333 0.5773503 0.0508016), wk = 0.0028736 k( 322) = ( 0.3333333 0.5773503 0.0635020), wk = 0.0028736 k( 323) = ( 0.3333333 0.5773503 0.0762025), wk = 0.0028736 k( 324) = ( 0.3333333 0.5773503 0.0889029), wk = 0.0028736 k( 325) = ( 0.3333333 0.5773503 0.1016033), wk = 0.0028736 k( 326) = ( 0.3333333 0.5773503 0.1143037), wk = 0.0028736 k( 327) = ( 0.3333333 0.5773503 0.1270041), wk = 0.0028736 k( 328) = ( 0.3333333 0.5773503 0.1397045), wk = 0.0028736 k( 329) = ( 0.3333333 0.5773503 0.1524049), wk = 0.0028736 k( 330) = ( 0.3333333 0.5773503 0.1651053), wk = 0.0028736 k( 331) = ( 0.3333333 0.5773503 0.1778057), wk = 0.0028736 k( 332) = ( 0.3333333 0.5773503 0.1905061), wk = 0.0028736 k( 333) = ( 0.3333333 0.5773503 0.2032066), wk = 0.0028736 k( 334) = ( 0.3333333 0.5773503 0.2159070), wk = 0.0028736 k( 335) = ( 0.3333333 0.5773503 0.2286074), wk = 0.0028736 k( 336) = ( 0.3333333 0.5773503 0.2413078), wk = 0.0028736 k( 337) = ( 0.3333333 0.5773503 0.2540082), wk = 0.0028736 k( 338) = ( 0.3333333 0.5773503 0.2667086), wk = 0.0028736 k( 339) = ( 0.3333333 0.5773503 0.2794090), wk = 0.0028736 k( 340) = ( 0.3333333 0.5773503 0.2921094), wk = 0.0028736 k( 341) = ( 0.3333333 0.5773503 0.3048098), wk = 0.0028736 k( 342) = ( 0.3333333 0.5773503 0.3175102), wk = 0.0028736 k( 343) = ( 0.3333333 0.5773503 0.3302106), wk = 0.0028736 k( 344) = ( 0.3333333 0.5773503 0.3429111), wk = 0.0028736 k( 345) = ( 0.3333333 0.5773503 0.3556115), wk = 0.0028736 k( 346) = ( 0.3333333 0.5773503 0.3683119), wk = 0.0028736 k( 347) = ( 0.3333333 0.5773503 0.3810123), wk = 0.0028736 k( 348) = ( 0.3333333 0.5773503 0.3937127), 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 0.0512820 -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 0.1538461 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 0.3225806), 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 0.0512820 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 0.1538461 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 0.3225806), 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 0.1774193), 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 0.1774193), 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: 104783 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 29933 G-vectors FFT dimensions: ( 40, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 220, 38) NL pseudopotentials 0.17 Mb ( 110, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2911) G-vector shells 0.01 Mb ( 1373) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 220, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.12 Mb ( 102, 2, 38) The potential is recalculated from file : ./Te2Pd.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 2 random wfc 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 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.5 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.2 secs Computing kpt #: 23 total cpu time spent up to now is 7.4 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.3 secs Computing kpt #: 27 total cpu time spent up to now is 8.6 secs Computing kpt #: 28 total cpu time spent up to now is 8.9 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.2 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 11.0 secs Computing kpt #: 34 total cpu time spent up to now is 11.3 secs Computing kpt #: 35 total cpu time spent up to now is 11.6 secs Computing kpt #: 36 total cpu time spent up to now is 11.9 secs Computing kpt #: 37 total cpu time spent up to now is 12.1 secs Computing kpt #: 38 total cpu time spent up to now is 12.4 secs Computing kpt #: 39 total cpu time spent up to now is 12.7 secs Computing kpt #: 40 total cpu time spent up to now is 12.9 secs Computing kpt #: 41 total cpu time spent up to now is 13.2 secs Computing kpt #: 42 total cpu time spent up to now is 13.4 secs Computing kpt #: 43 total cpu time spent up to now is 13.7 secs Computing kpt #: 44 total cpu time spent up to now is 14.0 secs Computing kpt #: 45 total cpu time spent up to now is 14.3 secs Computing kpt #: 46 total cpu time spent up to now is 14.6 secs Computing kpt #: 47 total cpu time spent up to now is 14.9 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.4 secs Computing kpt #: 50 total cpu time spent up to now is 15.6 secs Computing kpt #: 51 total cpu time spent up to now is 15.9 secs Computing kpt #: 52 total cpu time spent up to now is 16.1 secs Computing kpt #: 53 total cpu time spent up to now is 16.3 secs Computing kpt #: 54 total cpu time spent up to now is 16.5 secs Computing kpt #: 55 total cpu time spent up to now is 16.7 secs Computing kpt #: 56 total cpu time spent up to now is 16.9 secs Computing kpt #: 57 total cpu time spent up to now is 17.1 secs Computing kpt #: 58 total cpu time spent up to now is 17.4 secs Computing kpt #: 59 total cpu time spent up to now is 17.6 secs Computing kpt #: 60 total cpu time spent up to now is 17.8 secs Computing kpt #: 61 total cpu time spent up to now is 18.0 secs Computing kpt #: 62 total cpu time spent up to now is 18.2 secs Computing kpt #: 63 total cpu time spent up to now is 18.4 secs Computing kpt #: 64 total cpu time spent up to now is 18.6 secs Computing kpt #: 65 total cpu time spent up to now is 18.8 secs Computing kpt #: 66 total cpu time spent up to now is 19.1 secs Computing kpt #: 67 total cpu time spent up to now is 19.3 secs Computing kpt #: 68 total cpu time spent up to now is 19.5 secs Computing kpt #: 69 total cpu time spent up to now is 19.7 secs Computing kpt #: 70 total cpu time spent up to now is 19.9 secs Computing kpt #: 71 total cpu time spent up to now is 20.2 secs Computing kpt #: 72 total cpu time spent up to now is 20.4 secs Computing kpt #: 73 total cpu time spent up to now is 20.6 secs Computing kpt #: 74 total cpu time spent up to now is 20.8 secs Computing kpt #: 75 total cpu time spent up to now is 21.0 secs Computing kpt #: 76 total cpu time spent up to now is 21.3 secs Computing kpt #: 77 total cpu time spent up to now is 21.5 secs Computing kpt #: 78 total cpu time spent up to now is 21.7 secs Computing kpt #: 79 total cpu time spent up to now is 22.0 secs Computing kpt #: 80 total cpu time spent up to now is 22.2 secs Computing kpt #: 81 total cpu time spent up to now is 22.4 secs Computing kpt #: 82 total cpu time spent up to now is 22.6 secs Computing kpt #: 83 total cpu time spent up to now is 22.8 secs Computing kpt #: 84 total cpu time spent up to now is 23.1 secs Computing kpt #: 85 total cpu time spent up to now is 23.3 secs Computing kpt #: 86 total cpu time spent up to now is 23.5 secs Computing kpt #: 87 total cpu time spent up to now is 23.7 secs Computing kpt #: 88 total cpu time spent up to now is 24.0 secs Computing kpt #: 89 total cpu time spent up to now is 24.2 secs Computing kpt #: 90 total cpu time spent up to now is 24.5 secs Computing kpt #: 91 total cpu time spent up to now is 24.7 secs Computing kpt #: 92 total cpu time spent up to now is 24.9 secs Computing kpt #: 93 total cpu time spent up to now is 25.2 secs Computing kpt #: 94 total cpu time spent up to now is 25.4 secs Computing kpt #: 95 total cpu time spent up to now is 25.7 secs Computing kpt #: 96 total cpu time spent up to now is 25.9 secs Computing kpt #: 97 total cpu time spent up to now is 26.2 secs Computing kpt #: 98 total cpu time spent up to now is 26.4 secs Computing kpt #: 99 total cpu time spent up to now is 26.6 secs Computing kpt #: 100 total cpu time spent up to now is 26.9 secs Computing kpt #: 101 total cpu time spent up to now is 27.1 secs Computing kpt #: 102 total cpu time spent up to now is 27.3 secs Computing kpt #: 103 total cpu time spent up to now is 27.5 secs Computing kpt #: 104 total cpu time spent up to now is 27.8 secs Computing kpt #: 105 total cpu time spent up to now is 28.0 secs Computing kpt #: 106 total cpu time spent up to now is 28.2 secs Computing kpt #: 107 total cpu time spent up to now is 28.5 secs Computing kpt #: 108 total cpu time spent up to now is 28.7 secs Computing kpt #: 109 total cpu time spent up to now is 28.9 secs Computing kpt #: 110 total cpu time spent up to now is 29.1 secs Computing kpt #: 111 total cpu time spent up to now is 29.4 secs Computing kpt #: 112 total cpu time spent up to now is 29.6 secs Computing kpt #: 113 total cpu time spent up to now is 29.8 secs Computing kpt #: 114 total cpu time spent up to now is 30.1 secs Computing kpt #: 115 total cpu time spent up to now is 30.3 secs Computing kpt #: 116 total cpu time spent up to now is 30.5 secs Computing kpt #: 117 total cpu time spent up to now is 30.7 secs Computing kpt #: 118 total cpu time spent up to now is 31.0 secs Computing kpt #: 119 total cpu time spent up to now is 31.2 secs Computing kpt #: 120 total cpu time spent up to now is 31.4 secs Computing kpt #: 121 total cpu time spent up to now is 31.7 secs Computing kpt #: 122 total cpu time spent up to now is 31.9 secs Computing kpt #: 123 total cpu time spent up to now is 32.1 secs Computing kpt #: 124 total cpu time spent up to now is 32.3 secs Computing kpt #: 125 total cpu time spent up to now is 32.5 secs Computing kpt #: 126 total cpu time spent up to now is 32.7 secs Computing kpt #: 127 total cpu time spent up to now is 33.0 secs Computing kpt #: 128 total cpu time spent up to now is 33.2 secs Computing kpt #: 129 total cpu time spent up to now is 33.4 secs Computing kpt #: 130 total cpu time spent up to now is 33.6 secs Computing kpt #: 131 total cpu time spent up to now is 33.9 secs Computing kpt #: 132 total cpu time spent up to now is 34.1 secs Computing kpt #: 133 total cpu time spent up to now is 34.3 secs Computing kpt #: 134 total cpu time spent up to now is 34.5 secs Computing kpt #: 135 total cpu time spent up to now is 34.7 secs Computing kpt #: 136 total cpu time spent up to now is 34.9 secs Computing kpt #: 137 total cpu time spent up to now is 35.1 secs Computing kpt #: 138 total cpu time spent up to now is 35.4 secs Computing kpt #: 139 total cpu time spent up to now is 35.6 secs Computing kpt #: 140 total cpu time spent up to now is 35.8 secs Computing kpt #: 141 total cpu time spent up to now is 36.1 secs Computing kpt #: 142 total cpu time spent up to now is 36.3 secs Computing kpt #: 143 total cpu time spent up to now is 36.6 secs Computing kpt #: 144 total cpu time spent up to now is 36.8 secs Computing kpt #: 145 total cpu time spent up to now is 37.1 secs Computing kpt #: 146 total cpu time spent up to now is 37.3 secs Computing kpt #: 147 total cpu time spent up to now is 37.6 secs Computing kpt #: 148 total cpu time spent up to now is 37.8 secs Computing kpt #: 149 total cpu time spent up to now is 38.1 secs Computing kpt #: 150 total cpu time spent up to now is 38.3 secs Computing kpt #: 151 total cpu time spent up to now is 38.5 secs Computing kpt #: 152 total cpu time spent up to now is 38.8 secs Computing kpt #: 153 total cpu time spent up to now is 39.1 secs Computing kpt #: 154 total cpu time spent up to now is 39.4 secs Computing kpt #: 155 total cpu time spent up to now is 39.7 secs Computing kpt #: 156 total cpu time spent up to now is 40.0 secs Computing kpt #: 157 total cpu time spent up to now is 40.3 secs Computing kpt #: 158 total cpu time spent up to now is 40.6 secs Computing kpt #: 159 total cpu time spent up to now is 40.9 secs Computing kpt #: 160 total cpu time spent up to now is 41.2 secs Computing kpt #: 161 total cpu time spent up to now is 41.5 secs Computing kpt #: 162 total cpu time spent up to now is 41.8 secs Computing kpt #: 163 total cpu time spent up to now is 42.1 secs Computing kpt #: 164 total cpu time spent up to now is 42.4 secs Computing kpt #: 165 total cpu time spent up to now is 42.6 secs Computing kpt #: 166 total cpu time spent up to now is 42.9 secs Computing kpt #: 167 total cpu time spent up to now is 43.2 secs Computing kpt #: 168 total cpu time spent up to now is 43.4 secs Computing kpt #: 169 total cpu time spent up to now is 43.7 secs Computing kpt #: 170 total cpu time spent up to now is 43.9 secs Computing kpt #: 171 total cpu time spent up to now is 44.2 secs Computing kpt #: 172 total cpu time spent up to now is 44.4 secs Computing kpt #: 173 total cpu time spent up to now is 44.7 secs Computing kpt #: 174 total cpu time spent up to now is 44.9 secs Computing kpt #: 175 total cpu time spent up to now is 45.1 secs Computing kpt #: 176 total cpu time spent up to now is 45.4 secs Computing kpt #: 177 total cpu time spent up to now is 45.6 secs Computing kpt #: 178 total cpu time spent up to now is 45.8 secs Computing kpt #: 179 total cpu time spent up to now is 46.1 secs Computing kpt #: 180 total cpu time spent up to now is 46.3 secs Computing kpt #: 181 total cpu time spent up to now is 46.5 secs Computing kpt #: 182 total cpu time spent up to now is 46.7 secs Computing kpt #: 183 total cpu time spent up to now is 47.0 secs Computing kpt #: 184 total cpu time spent up to now is 47.2 secs Computing kpt #: 185 total cpu time spent up to now is 47.4 secs Computing kpt #: 186 total cpu time spent up to now is 47.6 secs Computing kpt #: 187 total cpu time spent up to now is 47.8 secs Computing kpt #: 188 total cpu time spent up to now is 48.1 secs Computing kpt #: 189 total cpu time spent up to now is 48.3 secs Computing kpt #: 190 total cpu time spent up to now is 48.5 secs Computing kpt #: 191 total cpu time spent up to now is 48.7 secs Computing kpt #: 192 total cpu time spent up to now is 49.0 secs Computing kpt #: 193 total cpu time spent up to now is 49.2 secs Computing kpt #: 194 total cpu time spent up to now is 49.4 secs Computing kpt #: 195 total cpu time spent up to now is 49.6 secs Computing kpt #: 196 total cpu time spent up to now is 49.8 secs Computing kpt #: 197 total cpu time spent up to now is 50.1 secs Computing kpt #: 198 total cpu time spent up to now is 50.3 secs Computing kpt #: 199 total cpu time spent up to now is 50.5 secs Computing kpt #: 200 total cpu time spent up to now is 50.7 secs Computing kpt #: 201 total cpu time spent up to now is 51.0 secs Computing kpt #: 202 total cpu time spent up to now is 51.2 secs Computing kpt #: 203 total cpu time spent up to now is 51.4 secs Computing kpt #: 204 total cpu time spent up to now is 51.6 secs Computing kpt #: 205 total cpu time spent up to now is 51.9 secs Computing kpt #: 206 total cpu time spent up to now is 52.1 secs Computing kpt #: 207 total cpu time spent up to now is 52.3 secs Computing kpt #: 208 total cpu time spent up to now is 52.5 secs Computing kpt #: 209 total cpu time spent up to now is 52.8 secs Computing kpt #: 210 total cpu time spent up to now is 53.0 secs Computing kpt #: 211 total cpu time spent up to now is 53.2 secs Computing kpt #: 212 total cpu time spent up to now is 53.4 secs Computing kpt #: 213 total cpu time spent up to now is 53.7 secs Computing kpt #: 214 total cpu time spent up to now is 53.9 secs Computing kpt #: 215 total cpu time spent up to now is 54.1 secs Computing kpt #: 216 total cpu time spent up to now is 54.3 secs Computing kpt #: 217 total cpu time spent up to now is 54.6 secs Computing kpt #: 218 total cpu time spent up to now is 54.8 secs Computing kpt #: 219 total cpu time spent up to now is 55.0 secs Computing kpt #: 220 total cpu time spent up to now is 55.3 secs Computing kpt #: 221 total cpu time spent up to now is 55.5 secs Computing kpt #: 222 total cpu time spent up to now is 55.7 secs Computing kpt #: 223 total cpu time spent up to now is 56.0 secs Computing kpt #: 224 total cpu time spent up to now is 56.2 secs Computing kpt #: 225 total cpu time spent up to now is 56.5 secs Computing kpt #: 226 total cpu time spent up to now is 56.7 secs Computing kpt #: 227 total cpu time spent up to now is 57.0 secs Computing kpt #: 228 total cpu time spent up to now is 57.2 secs Computing kpt #: 229 total cpu time spent up to now is 57.6 secs Computing kpt #: 230 total cpu time spent up to now is 57.9 secs Computing kpt #: 231 total cpu time spent up to now is 58.2 secs Computing kpt #: 232 total cpu time spent up to now is 58.4 secs Computing kpt #: 233 total cpu time spent up to now is 58.7 secs Computing kpt #: 234 total cpu time spent up to now is 59.0 secs Computing kpt #: 235 total cpu time spent up to now is 59.3 secs Computing kpt #: 236 total cpu time spent up to now is 59.6 secs Computing kpt #: 237 total cpu time spent up to now is 59.8 secs Computing kpt #: 238 total cpu time spent up to now is 60.1 secs Computing kpt #: 239 total cpu time spent up to now is 60.3 secs Computing kpt #: 240 total cpu time spent up to now is 60.6 secs Computing kpt #: 241 total cpu time spent up to now is 60.8 secs Computing kpt #: 242 total cpu time spent up to now is 61.0 secs Computing kpt #: 243 total cpu time spent up to now is 61.3 secs Computing kpt #: 244 total cpu time spent up to now is 61.5 secs Computing kpt #: 245 total cpu time spent up to now is 61.7 secs Computing kpt #: 246 total cpu time spent up to now is 62.0 secs Computing kpt #: 247 total cpu time spent up to now is 62.2 secs Computing kpt #: 248 total cpu time spent up to now is 62.4 secs Computing kpt #: 249 total cpu time spent up to now is 62.6 secs Computing kpt #: 250 total cpu time spent up to now is 62.9 secs Computing kpt #: 251 total cpu time spent up to now is 63.1 secs Computing kpt #: 252 total cpu time spent up to now is 63.4 secs Computing kpt #: 253 total cpu time spent up to now is 63.6 secs Computing kpt #: 254 total cpu time spent up to now is 63.8 secs Computing kpt #: 255 total cpu time spent up to now is 64.1 secs Computing kpt #: 256 total cpu time spent up to now is 64.3 secs Computing kpt #: 257 total cpu time spent up to now is 64.5 secs Computing kpt #: 258 total cpu time spent up to now is 64.8 secs Computing kpt #: 259 total cpu time spent up to now is 65.0 secs Computing kpt #: 260 total cpu time spent up to now is 65.2 secs Computing kpt #: 261 total cpu time spent up to now is 65.5 secs Computing kpt #: 262 total cpu time spent up to now is 65.7 secs Computing kpt #: 263 total cpu time spent up to now is 66.0 secs Computing kpt #: 264 total cpu time spent up to now is 66.2 secs Computing kpt #: 265 total cpu time spent up to now is 66.4 secs Computing kpt #: 266 total cpu time spent up to now is 66.7 secs Computing kpt #: 267 total cpu time spent up to now is 66.9 secs Computing kpt #: 268 total cpu time spent up to now is 67.2 secs Computing kpt #: 269 total cpu time spent up to now is 67.4 secs Computing kpt #: 270 total cpu time spent up to now is 67.7 secs Computing kpt #: 271 total cpu time spent up to now is 67.9 secs Computing kpt #: 272 total cpu time spent up to now is 68.1 secs Computing kpt #: 273 total cpu time spent up to now is 68.4 secs Computing kpt #: 274 total cpu time spent up to now is 68.6 secs Computing kpt #: 275 total cpu time spent up to now is 68.9 secs Computing kpt #: 276 total cpu time spent up to now is 69.1 secs Computing kpt #: 277 total cpu time spent up to now is 69.4 secs Computing kpt #: 278 total cpu time spent up to now is 69.7 secs Computing kpt #: 279 total cpu time spent up to now is 70.0 secs Computing kpt #: 280 total cpu time spent up to now is 70.3 secs Computing kpt #: 281 total cpu time spent up to now is 70.6 secs Computing kpt #: 282 total cpu time spent up to now is 70.9 secs Computing kpt #: 283 total cpu time spent up to now is 71.2 secs Computing kpt #: 284 total cpu time spent up to now is 71.5 secs Computing kpt #: 285 total cpu time spent up to now is 71.7 secs Computing kpt #: 286 total cpu time spent up to now is 71.9 secs Computing kpt #: 287 total cpu time spent up to now is 72.1 secs Computing kpt #: 288 total cpu time spent up to now is 72.3 secs Computing kpt #: 289 total cpu time spent up to now is 72.6 secs Computing kpt #: 290 total cpu time spent up to now is 72.8 secs Computing kpt #: 291 total cpu time spent up to now is 73.0 secs Computing kpt #: 292 total cpu time spent up to now is 73.2 secs Computing kpt #: 293 total cpu time spent up to now is 73.4 secs Computing kpt #: 294 total cpu time spent up to now is 73.6 secs Computing kpt #: 295 total cpu time spent up to now is 73.8 secs Computing kpt #: 296 total cpu time spent up to now is 74.0 secs Computing kpt #: 297 total cpu time spent up to now is 74.3 secs Computing kpt #: 298 total cpu time spent up to now is 74.5 secs Computing kpt #: 299 total cpu time spent up to now is 74.7 secs Computing kpt #: 300 total cpu time spent up to now is 74.9 secs Computing kpt #: 301 total cpu time spent up to now is 75.1 secs Computing kpt #: 302 total cpu time spent up to now is 75.3 secs Computing kpt #: 303 total cpu time spent up to now is 75.5 secs Computing kpt #: 304 total cpu time spent up to now is 75.7 secs Computing kpt #: 305 total cpu time spent up to now is 75.9 secs Computing kpt #: 306 total cpu time spent up to now is 76.1 secs Computing kpt #: 307 total cpu time spent up to now is 76.4 secs Computing kpt #: 308 total cpu time spent up to now is 76.6 secs Computing kpt #: 309 total cpu time spent up to now is 76.8 secs Computing kpt #: 310 total cpu time spent up to now is 77.0 secs Computing kpt #: 311 total cpu time spent up to now is 77.2 secs Computing kpt #: 312 total cpu time spent up to now is 77.4 secs Computing kpt #: 313 total cpu time spent up to now is 77.7 secs Computing kpt #: 314 total cpu time spent up to now is 77.9 secs Computing kpt #: 315 total cpu time spent up to now is 78.2 secs Computing kpt #: 316 total cpu time spent up to now is 78.5 secs Computing kpt #: 317 total cpu time spent up to now is 78.7 secs Computing kpt #: 318 total cpu time spent up to now is 78.9 secs Computing kpt #: 319 total cpu time spent up to now is 79.1 secs Computing kpt #: 320 total cpu time spent up to now is 79.4 secs Computing kpt #: 321 total cpu time spent up to now is 79.6 secs Computing kpt #: 322 total cpu time spent up to now is 79.8 secs Computing kpt #: 323 total cpu time spent up to now is 80.0 secs Computing kpt #: 324 total cpu time spent up to now is 80.3 secs Computing kpt #: 325 total cpu time spent up to now is 80.5 secs Computing kpt #: 326 total cpu time spent up to now is 80.7 secs Computing kpt #: 327 total cpu time spent up to now is 80.9 secs Computing kpt #: 328 total cpu time spent up to now is 81.1 secs Computing kpt #: 329 total cpu time spent up to now is 81.4 secs Computing kpt #: 330 total cpu time spent up to now is 81.6 secs Computing kpt #: 331 total cpu time spent up to now is 81.8 secs Computing kpt #: 332 total cpu time spent up to now is 82.0 secs Computing kpt #: 333 total cpu time spent up to now is 82.2 secs Computing kpt #: 334 total cpu time spent up to now is 82.5 secs Computing kpt #: 335 total cpu time spent up to now is 82.7 secs Computing kpt #: 336 total cpu time spent up to now is 82.9 secs Computing kpt #: 337 total cpu time spent up to now is 83.2 secs Computing kpt #: 338 total cpu time spent up to now is 83.4 secs Computing kpt #: 339 total cpu time spent up to now is 83.7 secs Computing kpt #: 340 total cpu time spent up to now is 84.0 secs Computing kpt #: 341 total cpu time spent up to now is 84.3 secs Computing kpt #: 342 total cpu time spent up to now is 84.6 secs Computing kpt #: 343 total cpu time spent up to now is 85.0 secs Computing kpt #: 344 total cpu time spent up to now is 85.4 secs Computing kpt #: 345 total cpu time spent up to now is 85.7 secs Computing kpt #: 346 total cpu time spent up to now is 86.0 secs Computing kpt #: 347 total cpu time spent up to now is 86.3 secs Computing kpt #: 348 total cpu time spent up to now is 86.6 secs ethr = 3.33E-08, avg # of iterations = 16.7 total cpu time spent up to now is 86.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1276 -3.1276 0.2974 0.2974 4.2877 4.2877 5.0944 5.0944 5.1109 5.1109 6.8703 6.8703 6.9665 6.9665 8.2234 8.2234 9.8819 9.8819 10.7266 10.7266 11.2726 11.2726 11.5949 11.5949 12.4318 12.4318 13.5862 13.5862 15.8513 15.8513 k = 0.0111 0.0064-0.0000 ( 3713 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1263 -3.1263 0.2967 0.2967 4.2892 4.2892 5.0953 5.0953 5.1117 5.1117 6.8697 6.8697 6.9658 6.9658 8.2226 8.2226 9.8754 9.8754 10.7084 10.7084 11.2820 11.2820 11.5918 11.5918 12.4322 12.4322 13.5977 13.5977 15.8593 15.8593 k = 0.0222 0.0128-0.0000 ( 3717 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1225 -3.1225 0.2944 0.2944 4.2935 4.2935 5.0979 5.0979 5.1142 5.1142 6.8678 6.8678 6.9636 6.9636 8.2202 8.2202 9.8561 9.8561 10.6580 10.6580 11.3052 11.3052 11.5837 11.5837 12.4333 12.4333 13.6317 13.6317 15.8828 15.8828 k = 0.0333 0.0192-0.0000 ( 3705 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1162 -3.1162 0.2906 0.2906 4.3006 4.3006 5.1021 5.1021 5.1184 5.1184 6.8647 6.8647 6.9600 6.9600 8.2163 8.2163 9.8240 9.8240 10.5843 10.5843 11.3311 11.3311 11.5751 11.5751 12.4348 12.4348 13.6862 13.6862 15.9209 15.9209 k = 0.0444 0.0257-0.0000 ( 3721 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -3.1073 -3.1073 0.2853 0.2853 4.3106 4.3106 5.1078 5.1078 5.1244 5.1244 6.8602 6.8602 6.9548 6.9548 8.2107 8.2107 9.7795 9.7795 10.4953 10.4953 11.3461 11.3461 11.5741 11.5741 12.4365 12.4365 13.7588 13.7588 15.9719 15.9719 k = 0.0556 0.0321-0.0000 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -3.0959 -3.0959 0.2785 0.2785 4.3234 4.3234 5.1149 5.1149 5.1322 5.1322 6.8545 6.8545 6.9483 6.9483 8.2033 8.2033 9.7228 9.7228 10.3972 10.3972 11.3395 11.3395 11.5891 11.5891 12.4380 12.4380 13.8462 13.8462 16.0327 16.0327 k = 0.0667 0.0385-0.0000 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -3.0821 -3.0821 0.2703 0.2703 4.3391 4.3391 5.1233 5.1233 5.1421 5.1421 6.8474 6.8474 6.9405 6.9405 8.1940 8.1940 9.6544 9.6544 10.2943 10.2943 11.3102 11.3102 11.6200 11.6200 12.4393 12.4393 13.9449 13.9449 16.0979 16.0979 k = 0.0778 0.0449-0.0000 ( 3732 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1817 -39.1817 -39.0962 -39.0962 -3.0657 -3.0657 0.2605 0.2605 4.3575 4.3575 5.1329 5.1329 5.1539 5.1539 6.8389 6.8389 6.9313 6.9313 8.1827 8.1827 9.5750 9.5750 10.1900 10.1900 11.2641 11.2641 11.6604 11.6604 12.4401 12.4401 14.0515 14.0515 16.1584 16.1584 k = 0.0889 0.0513-0.0000 ( 3732 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1818 -39.1818 -39.0962 -39.0962 -3.0469 -3.0469 0.2494 0.2494 4.3786 4.3786 5.1436 5.1436 5.1679 5.1679 6.8288 6.8288 6.9210 6.9210 8.1692 8.1692 9.4856 9.4856 10.0866 10.0866 11.2065 11.2065 11.7052 11.7052 12.4406 12.4406 14.1627 14.1627 16.2014 16.2014 k = 0.1000 0.0577-0.0000 ( 3732 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -3.0256 -3.0256 0.2368 0.2368 4.4024 4.4024 5.1554 5.1554 5.1838 5.1838 6.8169 6.8169 6.9096 6.9096 8.1530 8.1530 9.3880 9.3880 9.9855 9.9855 11.1405 11.1405 11.7514 11.7514 12.4406 12.4406 14.2751 14.2751 16.2175 16.2175 k = 0.1111 0.0642-0.0000 ( 3732 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1819 -39.1819 -39.0962 -39.0962 -3.0019 -3.0019 0.2229 0.2229 4.4289 4.4289 5.1682 5.1682 5.2016 5.2016 6.8030 6.8030 6.8973 6.8973 8.1340 8.1340 9.2843 9.2843 9.8872 9.8872 11.0680 11.0680 11.7974 11.7974 12.4400 12.4400 14.3852 14.3852 16.2102 16.2102 k = 0.1222 0.0706-0.0000 ( 3726 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1820 -39.1820 -39.0962 -39.0962 -2.9759 -2.9759 0.2076 0.2076 4.4580 4.4580 5.1822 5.1822 5.2212 5.2212 6.7868 6.7868 6.8844 6.8844 8.1117 8.1117 9.1769 9.1769 9.7917 9.7917 10.9901 10.9901 11.8419 11.8419 12.4389 12.4389 14.4894 14.4894 16.1920 16.1920 k = 0.1333 0.0770-0.0000 ( 3726 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1821 -39.1821 -39.0962 -39.0962 -2.9475 -2.9475 0.1910 0.1910 4.4897 4.4897 5.1972 5.1972 5.2425 5.2425 6.7677 6.7677 6.8710 6.8710 8.0855 8.0855 9.0687 9.0687 9.6988 9.6988 10.9077 10.9077 11.8839 11.8839 12.4374 12.4374 14.5836 14.5836 16.1751 16.1751 k = 0.1444 0.0834-0.0000 ( 3730 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1821 -39.1821 -39.0962 -39.0962 -2.9168 -2.9168 0.1732 0.1732 4.5238 4.5238 5.2132 5.2132 5.2654 5.2654 6.7453 6.7453 6.8575 6.8575 8.0549 8.0549 8.9624 8.9624 9.6079 9.6079 10.8215 10.8215 11.9224 11.9224 12.4358 12.4358 14.6638 14.6638 16.1690 16.1690 k = 0.1556 0.0898-0.0000 ( 3726 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1822 -39.1822 -39.0962 -39.0962 -2.8838 -2.8838 0.1540 0.1540 4.5603 4.5603 5.2303 5.2303 5.2898 5.2898 6.7192 6.7192 6.8442 6.8442 8.0195 8.0195 8.8605 8.8605 9.5186 9.5186 10.7320 10.7320 11.9561 11.9561 12.4346 12.4346 14.7263 14.7263 16.1807 16.1807 k = 0.1667 0.0962-0.0000 ( 3728 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1823 -39.1823 -39.0962 -39.0962 -2.8486 -2.8486 0.1336 0.1336 4.5990 4.5990 5.2481 5.2481 5.3155 5.3155 6.6890 6.6890 6.8311 6.8311 7.9789 7.9789 8.7653 8.7653 9.4306 9.4306 10.6397 10.6397 11.9836 11.9836 12.4347 12.4347 14.7685 14.7685 16.2147 16.2147 k = 0.1778 0.1026-0.0000 ( 3728 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1824 -39.1824 -39.0962 -39.0962 -2.8112 -2.8112 0.1120 0.1120 4.6400 4.6400 5.2669 5.2669 5.3423 5.3423 6.6542 6.6542 6.8185 6.8185 7.9332 7.9332 8.6784 8.6784 9.3437 9.3437 10.5451 10.5451 12.0031 12.0031 12.4373 12.4373 14.7905 14.7905 16.2726 16.2726 k = 0.1889 0.1091-0.0000 ( 3724 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1825 -39.1825 -39.0963 -39.0963 -2.7717 -2.7717 0.0893 0.0893 4.6830 4.6830 5.2865 5.2865 5.3701 5.3701 6.6148 6.6148 6.8065 6.8065 7.8831 7.8831 8.6006 8.6006 9.2577 9.2577 10.4486 10.4486 12.0129 12.0129 12.4437 12.4437 14.7941 14.7941 16.3532 16.3532 k = 0.2000 0.1155-0.0000 ( 3724 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1827 -39.1827 -39.0963 -39.0963 -2.7301 -2.7301 0.0653 0.0653 4.7279 4.7279 5.3066 5.3066 5.3985 5.3985 6.5706 6.5706 6.7951 6.7951 7.8298 7.8298 8.5319 8.5319 9.1724 9.1724 10.3505 10.3505 12.0116 12.0116 12.4549 12.4549 14.7832 14.7832 16.4535 16.4535 k = 0.2111 0.1219-0.0000 ( 3728 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1828 -39.1828 -39.0963 -39.0963 -2.6866 -2.6866 0.0403 0.0403 4.7745 4.7745 5.3273 5.3273 5.4272 5.4272 6.5219 6.5219 6.7844 6.7844 7.7749 7.7749 8.4717 8.4717 9.0879 9.0879 10.2510 10.2510 11.9988 11.9988 12.4710 12.4710 14.7617 14.7617 16.5696 16.5696 k = 0.2222 0.1283-0.0000 ( 3728 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1829 -39.1829 -39.0963 -39.0963 -2.6411 -2.6411 0.0141 0.0141 4.8225 4.8225 5.3483 5.3483 5.4557 5.4557 6.4693 6.4693 6.7745 6.7745 7.7206 7.7206 8.4186 8.4186 9.0042 9.0042 10.1506 10.1506 11.9749 11.9749 12.4917 12.4917 14.7334 14.7334 16.6974 16.6974 k = 0.2333 0.1347-0.0000 ( 3736 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1830 -39.1830 -39.0963 -39.0963 -2.5938 -2.5938 -0.0132 -0.0132 4.8717 4.8717 5.3695 5.3695 5.4833 5.4833 6.4139 6.4139 6.7655 6.7655 7.6684 7.6684 8.3713 8.3713 8.9212 8.9212 10.0494 10.0494 11.9409 11.9409 12.5160 12.5160 14.7013 14.7013 16.8327 16.8327 k = 0.2444 0.1411-0.0000 ( 3740 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1831 -39.1831 -39.0963 -39.0963 -2.5448 -2.5448 -0.0415 -0.0415 4.9216 4.9216 5.3904 5.3904 5.5092 5.5092 6.3575 6.3575 6.7575 6.7575 7.6199 7.6199 8.3283 8.3283 8.8391 8.8391 9.9478 9.9478 11.8981 11.8981 12.5428 12.5428 14.6675 14.6675 16.9702 16.9702 k = 0.2556 0.1475-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6068 -43.6068 -39.1832 -39.1832 -39.0963 -39.0963 -2.4940 -2.4940 -0.0710 -0.0710 4.9717 4.9717 5.4109 5.4109 5.5324 5.5324 6.3026 6.3026 6.7507 6.7507 7.5758 7.5758 8.2885 8.2885 8.7580 8.7580 9.8459 9.8459 11.8478 11.8478 12.5712 12.5712 14.6337 14.6337 17.1005 17.1005 k = 0.2667 0.1540-0.0000 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1834 -39.1834 -39.0963 -39.0963 -2.4417 -2.4417 -0.1015 -0.1015 5.0208 5.0208 5.4301 5.4301 5.5519 5.5519 6.2523 6.2523 6.7451 6.7451 7.5367 7.5367 8.2508 8.2508 8.6780 8.6780 9.7439 9.7439 11.7911 11.7911 12.6003 12.6003 14.6008 14.6008 17.2048 17.2048 k = 0.2778 0.1604-0.0000 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1835 -39.1835 -39.0964 -39.0964 -2.3880 -2.3880 -0.1331 -0.1331 5.0678 5.0678 5.4473 5.4473 5.5670 5.5670 6.2104 6.2104 6.7410 6.7410 7.5026 7.5026 8.2143 8.2143 8.5991 8.5991 9.6421 9.6421 11.7294 11.7294 12.6296 12.6296 14.5697 14.5697 17.2545 17.2545 k = 0.2889 0.1668-0.0000 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1836 -39.1836 -39.0964 -39.0964 -2.3328 -2.3328 -0.1657 -0.1657 5.1100 5.1100 5.4614 5.4614 5.5783 5.5783 6.1804 6.1804 6.7385 6.7385 7.4735 7.4735 8.1782 8.1782 8.5217 8.5217 9.5407 9.5407 11.6636 11.6636 12.6586 12.6586 14.5406 14.5406 17.2452 17.2452 k = 0.3000 0.1732-0.0000 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1837 -39.1837 -39.0964 -39.0964 -2.2765 -2.2765 -0.1994 -0.1994 5.1436 5.1436 5.4721 5.4721 5.5883 5.5883 6.1646 6.1646 6.7377 6.7377 7.4490 7.4490 8.1420 8.1420 8.4459 8.4459 9.4400 9.4400 11.5947 11.5947 12.6870 12.6870 14.5138 14.5138 17.2024 17.2024 k = 0.3111 0.1796-0.0000 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1838 -39.1838 -39.0964 -39.0964 -2.2190 -2.2190 -0.2342 -0.2342 5.1626 5.1626 5.4824 5.4824 5.6001 5.6001 6.1634 6.1634 6.7388 6.7388 7.4287 7.4287 8.1050 8.1050 8.3720 8.3720 9.3400 9.3400 11.5238 11.5238 12.7145 12.7145 14.4893 14.4893 17.1450 17.1450 k = 0.3222 0.1860-0.0000 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1839 -39.1839 -39.0964 -39.0964 -2.1606 -2.1606 -0.2700 -0.2700 5.1614 5.1614 5.4980 5.4980 5.6156 5.6156 6.1755 6.1755 6.7421 6.7421 7.4123 7.4123 8.0668 8.0668 8.3003 8.3003 9.2410 9.2410 11.4519 11.4519 12.7409 12.7409 14.4670 14.4670 17.0817 17.0817 k = 0.3333 0.1925-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1840 -39.1840 -39.0964 -39.0964 -2.1014 -2.1014 -0.3069 -0.3069 5.1386 5.1386 5.5226 5.5226 5.6350 5.6350 6.1986 6.1986 6.7478 6.7478 7.3991 7.3991 8.0270 8.0270 8.2310 8.2310 9.1433 9.1433 11.3797 11.3797 12.7662 12.7662 14.4468 14.4468 17.0167 17.0167 k = 0.3444 0.1989-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1841 -39.1841 -39.0964 -39.0964 -2.0416 -2.0416 -0.3447 -0.3447 5.0990 5.0990 5.5541 5.5541 5.6583 5.6583 6.2301 6.2301 6.7559 6.7559 7.3889 7.3889 7.9855 7.9855 8.1645 8.1645 9.0471 9.0471 11.3082 11.3082 12.7901 12.7901 14.4287 14.4287 16.9522 16.9522 k = 0.3556 0.2053-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1842 -39.1842 -39.0964 -39.0964 -1.9813 -1.9813 -0.3836 -0.3836 5.0486 5.0486 5.5876 5.5876 5.6866 5.6866 6.2679 6.2679 6.7667 6.7667 7.3808 7.3808 7.9422 7.9422 8.1009 8.1009 8.9527 8.9527 11.2381 11.2381 12.8126 12.8126 14.4124 14.4124 16.8896 16.8896 k = 0.3667 0.2117-0.0000 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1843 -39.1843 -39.0964 -39.0964 -1.9208 -1.9208 -0.4233 -0.4233 4.9926 4.9926 5.6182 5.6182 5.7209 5.7209 6.3105 6.3105 6.7805 6.7805 7.3743 7.3743 7.8977 7.8977 8.0403 8.0403 8.8603 8.8603 11.1702 11.1702 12.8336 12.8336 14.3979 14.3979 16.8299 16.8299 k = 0.3778 0.2181-0.0000 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1844 -39.1844 -39.0965 -39.0965 -1.8604 -1.8604 -0.4639 -0.4639 4.9346 4.9346 5.6439 5.6439 5.7608 5.7608 6.3566 6.3566 6.7975 6.7975 7.3685 7.3685 7.8531 7.8531 7.9822 7.9822 8.7703 8.7703 11.1052 11.1052 12.8531 12.8531 14.3851 14.3851 16.7736 16.7736 k = 0.3889 0.2245-0.0000 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1845 -39.1845 -39.0965 -39.0965 -1.8003 -1.8003 -0.5052 -0.5052 4.8772 4.8772 5.6650 5.6650 5.8040 5.8040 6.4051 6.4051 6.8177 6.8177 7.3622 7.3622 7.8098 7.8098 7.9262 7.9262 8.6831 8.6831 11.0438 11.0438 12.8710 12.8710 14.3737 14.3737 16.7213 16.7213 k = 0.4000 0.2309-0.0000 ( 3750 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1845 -39.1845 -39.0965 -39.0965 -1.7409 -1.7409 -0.5471 -0.5471 4.8219 4.8219 5.6824 5.6824 5.8481 5.8481 6.4551 6.4551 6.8415 6.8415 7.3539 7.3539 7.7699 7.7699 7.8718 7.8718 8.5991 8.5991 10.9864 10.9864 12.8873 12.8873 14.3637 14.3637 16.6731 16.6731 k = 0.4111 0.2374-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1846 -39.1846 -39.0965 -39.0965 -1.6825 -1.6825 -0.5892 -0.5892 4.7702 4.7702 5.6971 5.6971 5.8913 5.8913 6.5060 6.5060 6.8688 6.8688 7.3421 7.3421 7.7351 7.7351 7.8192 7.8192 8.5188 8.5188 10.9338 10.9338 12.9019 12.9019 14.3550 14.3550 16.6295 16.6295 k = 0.4222 0.2438-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.6258 -1.6258 -0.6312 -0.6312 4.7229 4.7229 5.7095 5.7095 5.9321 5.9321 6.5569 6.5569 6.8995 6.8995 7.3256 7.3256 7.7045 7.7045 7.7705 7.7705 8.4427 8.4427 10.8863 10.8863 12.9148 12.9148 14.3475 14.3475 16.5906 16.5906 k = 0.4333 0.2502-0.0000 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.5714 -1.5714 -0.6725 -0.6725 4.6807 4.6807 5.7199 5.7199 5.9694 5.9694 6.6071 6.6071 6.9330 6.9330 7.3044 7.3044 7.6711 7.6711 7.7339 7.7339 8.3716 8.3716 10.8443 10.8443 12.9261 12.9261 14.3412 14.3412 16.5565 16.5565 k = 0.4444 0.2566-0.0000 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.5203 -1.5203 -0.7124 -0.7124 4.6441 4.6441 5.7286 5.7286 6.0024 6.0024 6.6557 6.6557 6.9680 6.9680 7.2802 7.2802 7.6259 7.6259 7.7178 7.7178 8.3064 8.3064 10.8082 10.8082 12.9356 12.9356 14.3359 14.3359 16.5275 16.5275 k = 0.4556 0.2630-0.0000 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.4736 -1.4736 -0.7496 -0.7496 4.6137 4.6137 5.7355 5.7355 6.0303 6.0303 6.7020 6.7020 7.0013 7.0013 7.2573 7.2573 7.5738 7.5738 7.7163 7.7163 8.2482 8.2482 10.7783 10.7783 12.9434 12.9434 14.3317 14.3317 16.5036 16.5036 k = 0.4667 0.2694-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.4333 -1.4333 -0.7826 -0.7826 4.5897 4.5897 5.7408 5.7408 6.0525 6.0525 6.7443 6.7443 7.0275 7.0275 7.2427 7.2427 7.5201 7.5201 7.7222 7.7222 8.1987 8.1987 10.7548 10.7548 12.9495 12.9495 14.3284 14.3284 16.4849 16.4849 k = 0.4778 0.2758-0.0000 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.4015 -1.4015 -0.8091 -0.8091 4.5724 4.5724 5.7446 5.7446 6.0687 6.0687 6.7805 6.7805 7.0403 7.0403 7.2441 7.2441 7.4688 7.4688 7.7309 7.7309 8.1602 8.1602 10.7379 10.7379 12.9539 12.9539 14.3261 14.3261 16.4715 16.4715 k = 0.4889 0.2823-0.0000 ( 3734 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3808 -1.3808 -0.8265 -0.8265 4.5619 4.5619 5.7468 5.7468 6.0785 6.0785 6.8061 6.8061 7.0407 7.0407 7.2593 7.2593 7.4263 7.4263 7.7383 7.7383 8.1352 8.1352 10.7276 10.7276 12.9565 12.9565 14.3247 14.3247 16.4635 16.4635 k = 0.5000 0.2887-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3736 -1.3736 -0.8326 -0.8326 4.5584 4.5584 5.7475 5.7475 6.0817 6.0817 6.8157 6.8157 7.0389 7.0389 7.2698 7.2698 7.4075 7.4075 7.7412 7.7412 8.1265 8.1265 10.7242 10.7242 12.9574 12.9574 14.3242 14.3242 16.4608 16.4608 k = 0.5000 0.2887-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3736 -1.3736 -0.8326 -0.8326 4.5584 4.5584 5.7475 5.7475 6.0817 6.0817 6.8157 6.8157 7.0389 7.0389 7.2698 7.2698 7.4075 7.4075 7.7412 7.7412 8.1265 8.1265 10.7242 10.7242 12.9574 12.9574 14.3242 14.3242 16.4608 16.4608 k = 0.4936 0.2998-0.0000 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3730 -1.3730 -0.8324 -0.8324 4.5591 4.5591 5.7459 5.7459 6.0819 6.0819 6.8109 6.8109 7.0362 7.0362 7.2706 7.2706 7.4026 7.4026 7.7382 7.7382 8.1446 8.1446 10.7223 10.7223 12.9455 12.9455 14.3291 14.3291 16.4723 16.4723 k = 0.4872 0.3109-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3710 -1.3710 -0.8318 -0.8318 4.5610 4.5610 5.7411 5.7411 6.0825 6.0825 6.7968 6.7968 7.0267 7.0267 7.2716 7.2716 7.3906 7.3906 7.7343 7.7343 8.1929 8.1929 10.7164 10.7164 12.9106 12.9106 14.3437 14.3437 16.4943 16.4943 k = 0.4808 0.3220-0.0000 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3678 -1.3678 -0.8309 -0.8309 4.5642 4.5642 5.7332 5.7332 6.0833 6.0833 6.7743 6.7743 7.0071 7.0071 7.2692 7.2692 7.3804 7.3804 7.7381 7.7381 8.2603 8.2603 10.7067 10.7067 12.8542 12.8542 14.3678 14.3678 16.4164 16.4164 k = 0.4744 0.3331-0.0000 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3633 -1.3633 -0.8296 -0.8296 4.5687 4.5687 5.7223 5.7223 6.0845 6.0845 6.7438 6.7438 6.9748 6.9748 7.2596 7.2596 7.3829 7.3829 7.7531 7.7531 8.3379 8.3379 10.6931 10.6931 12.7786 12.7786 14.4011 14.4011 16.2789 16.2789 k = 0.4679 0.3442-0.0000 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3575 -1.3575 -0.8281 -0.8281 4.5743 4.5743 5.7088 5.7088 6.0858 6.0858 6.7049 6.7049 6.9308 6.9308 7.2454 7.2454 7.4006 7.4006 7.7791 7.7791 8.4200 8.4200 10.6755 10.6755 12.6866 12.6866 14.4433 14.4433 16.1430 16.1430 k = 0.4615 0.3553-0.0000 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3504 -1.3504 -0.8264 -0.8264 4.5811 4.5811 5.6930 5.6930 6.0871 6.0871 6.6566 6.6566 6.8807 6.8807 7.2312 7.2312 7.4295 7.4295 7.8146 7.8146 8.5030 8.5030 10.6543 10.6543 12.5811 12.5811 14.4934 14.4934 16.0150 16.0150 k = 0.4551 0.3664-0.0000 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3421 -1.3421 -0.8246 -0.8246 4.5889 4.5889 5.6753 5.6753 6.0880 6.0880 6.5979 6.5979 6.8310 6.8310 7.2186 7.2186 7.4663 7.4663 7.8578 7.8578 8.5848 8.5848 10.6294 10.6294 12.4647 12.4647 14.5503 14.5503 15.8972 15.8972 k = 0.4487 0.3775-0.0000 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3326 -1.3326 -0.8228 -0.8228 4.5976 4.5976 5.6559 5.6559 6.0874 6.0874 6.5305 6.5305 6.7861 6.7861 7.2073 7.2073 7.5090 7.5090 7.9075 7.9075 8.6636 8.6636 10.6010 10.6010 12.3397 12.3397 14.6120 14.6120 15.7923 15.7923 k = 0.4423 0.3886-0.0000 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.3218 -1.3218 -0.8211 -0.8211 4.6072 4.6072 5.6354 5.6354 6.0833 6.0833 6.4587 6.4587 6.7469 6.7469 7.1967 7.1967 7.5563 7.5563 7.9627 7.9627 8.7384 8.7384 10.5693 10.5693 12.2083 12.2083 14.6751 14.6751 15.7036 15.7036 k = 0.4359 0.3997-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.3098 -1.3098 -0.8196 -0.8196 4.6174 4.6174 5.6142 5.6142 6.0726 6.0726 6.3892 6.3892 6.7128 6.7128 7.1865 7.1865 7.6074 7.6074 8.0226 8.0226 8.8080 8.8080 10.5349 10.5349 12.0720 12.0720 14.7347 14.7347 15.6362 15.6362 k = 0.4295 0.4108-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.2966 -1.2966 -0.8186 -0.8186 4.6282 4.6282 5.5925 5.5925 6.0498 6.0498 6.3305 6.3305 6.6827 6.6827 7.1761 7.1761 7.6617 7.6617 8.0864 8.0864 8.8717 8.8717 10.4981 10.4981 11.9326 11.9326 14.7835 14.7835 15.5972 15.5972 k = 0.4231 0.4219-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.2823 -1.2823 -0.8181 -0.8181 4.6392 4.6392 5.5707 5.5707 6.0099 6.0099 6.2898 6.2898 6.6560 6.6560 7.1657 7.1657 7.7189 7.7189 8.1535 8.1535 8.9287 8.9287 10.4595 10.4595 11.7913 11.7913 14.8135 14.8135 15.5943 15.5943 k = 0.4167 0.4330-0.0000 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.2668 -1.2668 -0.8183 -0.8183 4.6503 4.6503 5.5491 5.5491 5.9536 5.9536 6.2679 6.2679 6.6321 6.6321 7.1549 7.1549 7.7785 7.7785 8.2233 8.2233 8.9781 8.9781 10.4201 10.4201 11.6491 11.6491 14.8204 14.8204 15.6316 15.6316 k = 0.4103 0.4441-0.0000 ( 3734 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.2501 -1.2501 -0.8194 -0.8194 4.6612 4.6612 5.5279 5.5279 5.8876 5.8876 6.2595 6.2595 6.6108 6.6108 7.1439 7.1439 7.8402 7.8402 8.2954 8.2954 9.0192 9.0192 10.3807 10.3807 11.5071 11.5071 14.8066 14.8066 15.7060 15.7060 k = 0.4038 0.4552-0.0000 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.2324 -1.2324 -0.8216 -0.8216 4.6716 4.6716 5.5072 5.5072 5.8186 5.8186 6.2591 6.2591 6.5922 6.5922 7.1327 7.1327 7.9039 7.9039 8.3690 8.3690 9.0512 9.0512 10.3425 10.3425 11.3663 11.3663 14.7789 14.7789 15.8101 15.8101 k = 0.3974 0.4663-0.0000 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.2136 -1.2136 -0.8252 -0.8252 4.6810 4.6810 5.4870 5.4870 5.7511 5.7511 6.2628 6.2628 6.5763 6.5763 7.1212 7.1212 7.9694 7.9694 8.4437 8.4437 9.0732 9.0732 10.3068 10.3068 11.2275 11.2275 14.7441 14.7441 15.9362 15.9362 k = 0.3910 0.4774-0.0000 ( 3740 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.1938 -1.1938 -0.8302 -0.8302 4.6893 4.6893 5.4673 5.4673 5.6882 5.6882 6.2687 6.2687 6.5630 6.5630 7.1098 7.1098 8.0365 8.0365 8.5184 8.5184 9.0846 9.0846 10.2748 10.2748 11.0917 11.0917 14.7071 14.7071 16.0785 16.0785 k = 0.3846 0.4885-0.0000 ( 3742 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0965 -39.0965 -1.1729 -1.1729 -0.8369 -0.8369 4.6960 4.6960 5.4478 5.4478 5.6320 5.6320 6.2753 6.2753 6.5525 6.5525 7.0983 7.0983 8.1050 8.1050 8.5922 8.5922 9.0851 9.0851 10.2476 10.2476 10.9599 10.9599 14.6709 14.6709 16.2327 16.2327 k = 0.3782 0.4996-0.0000 ( 3738 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.1511 -1.1511 -0.8455 -0.8455 4.7008 4.7008 5.4286 5.4286 5.5840 5.5840 6.2817 6.2817 6.5449 6.5449 7.0871 7.0871 8.1748 8.1748 8.6638 8.6638 9.0748 9.0748 10.2261 10.2261 10.8334 10.8334 14.6373 14.6373 16.3951 16.3951 k = 0.3718 0.5107-0.0000 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0965 -39.0965 -1.1284 -1.1284 -0.8562 -0.8562 4.7035 4.7035 5.4094 5.4094 5.5454 5.5454 6.2875 6.2875 6.5400 6.5400 7.0765 7.0765 8.2458 8.2458 8.7308 8.7308 9.0548 9.0548 10.2108 10.2108 10.7138 10.7138 14.6075 14.6075 16.5627 16.5627 k = 0.3654 0.5218-0.0000 ( 3726 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.1047 -1.1047 -0.8692 -0.8692 4.7042 4.7042 5.3908 5.3908 5.5160 5.5160 6.2921 6.2921 6.5375 6.5375 7.0665 7.0665 8.3177 8.3177 8.7893 8.7893 9.0282 9.0282 10.2013 10.2013 10.6028 10.6028 14.5819 14.5819 16.7315 16.7315 k = 0.3590 0.5329-0.0000 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.0802 -1.0802 -0.8846 -0.8846 4.7031 4.7031 5.3739 5.3739 5.4949 5.4949 6.2956 6.2956 6.5371 6.5371 7.0576 7.0576 8.3905 8.3905 8.8299 8.8299 9.0035 9.0035 10.1970 10.1970 10.5033 10.5033 14.5610 14.5610 16.8963 16.8963 k = 0.3526 0.5440-0.0000 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.0548 -1.0548 -0.9026 -0.9026 4.7007 4.7007 5.3600 5.3600 5.4805 5.4805 6.2980 6.2980 6.5381 6.5381 7.0500 7.0500 8.4637 8.4637 8.8351 8.8351 8.9969 8.9969 10.1965 10.1965 10.4188 10.4188 14.5447 14.5447 17.0484 17.0484 k = 0.3462 0.5551-0.0000 ( 3722 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.0287 -1.0287 -0.9233 -0.9233 4.6978 4.6978 5.3500 5.3500 5.4715 5.4715 6.2993 6.2993 6.5398 6.5398 7.0441 7.0441 8.5371 8.5371 8.8012 8.8012 9.0106 9.0106 10.1973 10.1973 10.3544 10.3544 14.5332 14.5332 17.1741 17.1741 k = 0.3397 0.5662-0.0000 ( 3722 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -1.0021 -1.0021 -0.9466 -0.9466 4.6953 4.6953 5.3442 5.3442 5.4666 5.4666 6.3000 6.3000 6.5413 6.5413 7.0403 7.0403 8.6097 8.6097 8.7459 8.7459 9.0260 9.0260 10.1963 10.1963 10.3159 10.3159 14.5263 14.5263 17.2553 17.2553 k = 0.3333 0.5774-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9797 -0.9797 -0.9679 -0.9679 4.6943 4.6943 5.3423 5.3423 5.4652 5.4652 6.3002 6.3002 6.5420 6.5420 7.0390 7.0390 8.6768 8.6768 8.6839 8.6839 9.0318 9.0318 10.1942 10.1942 10.3045 10.3045 14.5240 14.5240 17.2815 17.2815 k = 0.3333 0.5774-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9797 -0.9797 -0.9679 -0.9679 4.6943 4.6943 5.3423 5.3423 5.4652 5.4652 6.3002 6.3002 6.5420 6.5420 7.0390 7.0390 8.6768 8.6768 8.6839 8.6839 9.0318 9.0318 10.1942 10.1942 10.3045 10.3045 14.5240 14.5240 17.2815 17.2815 k = 0.3269 0.5662-0.0000 ( 3721 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -1.0039 -1.0039 -0.9449 -0.9449 4.6957 4.6957 5.3440 5.3440 5.4665 5.4665 6.3000 6.3000 6.5412 6.5412 7.0404 7.0404 8.6096 8.6096 8.7452 8.7452 9.0272 9.0272 10.1993 10.1993 10.3127 10.3127 14.5263 14.5263 17.2609 17.2609 k = 0.3205 0.5551-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.0360 -1.0360 -0.9162 -0.9162 4.7003 4.7003 5.3487 5.3487 5.4700 5.4700 6.2997 6.2997 6.5383 6.5383 7.0446 7.0446 8.5363 8.5363 8.7944 8.7944 9.0218 9.0218 10.2172 10.2172 10.3330 10.3330 14.5328 14.5328 17.2111 17.2111 k = 0.3141 0.5440-0.0000 ( 3719 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.0713 -1.0713 -0.8867 -0.8867 4.7089 4.7089 5.3557 5.3557 5.4754 5.4754 6.2991 6.2991 6.5331 6.5331 7.0516 7.0516 8.4619 8.4619 8.8093 8.8093 9.0370 9.0370 10.2471 10.2471 10.3628 10.3628 14.5436 14.5436 17.1461 17.1461 k = 0.3077 0.5329-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.1095 -1.1095 -0.8567 -0.8567 4.7220 4.7220 5.3647 5.3647 5.4821 5.4821 6.2980 6.2980 6.5256 6.5256 7.0612 7.0612 8.3879 8.3879 8.7828 8.7828 9.0832 9.0832 10.2844 10.2844 10.4029 10.4029 14.5583 14.5583 17.0744 17.0744 k = 0.3013 0.5218-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -1.1506 -1.1506 -0.8261 -0.8261 4.7402 4.7402 5.3751 5.3751 5.4899 5.4899 6.2963 6.2963 6.5162 6.5162 7.0730 7.0730 8.3153 8.3153 8.7308 8.7308 9.1480 9.1480 10.3235 10.3235 10.4549 10.4549 14.5770 14.5770 17.0004 17.0004 k = 0.2949 0.5107-0.0000 ( 3717 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0965 -39.0965 -1.1943 -1.1943 -0.7951 -0.7951 4.7637 4.7637 5.3865 5.3865 5.4982 5.4982 6.2934 6.2934 6.5054 6.5054 7.0867 7.0867 8.2452 8.2452 8.6671 8.6671 9.2211 9.2211 10.3613 10.3613 10.5188 10.5188 14.5994 14.5994 16.9268 16.9268 k = 0.2885 0.4996-0.0000 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1851 -39.1851 -39.0965 -39.0965 -1.2406 -1.2406 -0.7636 -0.7636 4.7926 4.7926 5.3986 5.3986 5.5068 5.5068 6.2885 6.2885 6.4938 6.4938 7.1016 7.1016 8.1786 8.1786 8.5984 8.5984 9.2978 9.2978 10.3974 10.3974 10.5923 10.5923 14.6253 14.6253 16.8552 16.8552 k = 0.2821 0.4885-0.0000 ( 3725 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.2893 -1.2893 -0.7318 -0.7318 4.8271 4.8271 5.4108 5.4108 5.5155 5.5155 6.2808 6.2808 6.4827 6.4827 7.1172 7.1172 8.1163 8.1163 8.5286 8.5286 9.3765 9.3765 10.4327 10.4327 10.6727 10.6727 14.6545 14.6545 16.7867 16.7867 k = 0.2756 0.4774-0.0000 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0965 -39.0965 -1.3401 -1.3401 -0.6996 -0.6996 4.8671 4.8671 5.4226 5.4226 5.5240 5.5240 6.2692 6.2692 6.4730 6.4730 7.1330 7.1330 8.0591 8.0591 8.4601 8.4601 9.4562 9.4562 10.4680 10.4680 10.7577 10.7577 14.6869 14.6869 16.7221 16.7221 k = 0.2692 0.4663-0.0000 ( 3727 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.3929 -1.3929 -0.6672 -0.6672 4.9125 4.9125 5.4334 5.4334 5.5323 5.5323 6.2527 6.2527 6.4658 6.4658 7.1486 7.1486 8.0075 8.0075 8.3948 8.3948 9.5365 9.5365 10.5039 10.5039 10.8456 10.8456 14.7223 14.7223 16.6619 16.6619 k = 0.2628 0.4552-0.0000 ( 3725 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.4475 -1.4475 -0.6345 -0.6345 4.9631 4.9631 5.4425 5.4425 5.5406 5.5406 6.2311 6.2311 6.4616 6.4616 7.1635 7.1635 7.9620 7.9620 8.3342 8.3342 9.6168 9.6168 10.5406 10.5406 10.9352 10.9352 14.7602 14.7602 16.6066 16.6066 k = 0.2564 0.4441-0.0000 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.5037 -1.5037 -0.6017 -0.6017 5.0186 5.0186 5.4491 5.4491 5.5488 5.5488 6.2043 6.2043 6.4603 6.4603 7.1774 7.1774 7.9228 7.9228 8.2797 8.2797 9.6971 9.6971 10.5784 10.5784 11.0256 11.0256 14.8005 14.8005 16.5568 16.5568 k = 0.2500 0.4330-0.0000 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.5612 -1.5612 -0.5687 -0.5687 5.0788 5.0788 5.4526 5.4526 5.5571 5.5571 6.1730 6.1730 6.4616 6.4616 7.1903 7.1903 7.8902 7.8902 8.2322 8.2322 9.7769 9.7769 10.6173 10.6173 11.1160 11.1160 14.8429 14.8429 16.5130 16.5130 k = 0.2436 0.4219-0.0000 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.6198 -1.6198 -0.5357 -0.5357 5.1429 5.1429 5.4527 5.4527 5.5654 5.5654 6.1380 6.1380 6.4650 6.4650 7.2021 7.2021 7.8639 7.8639 8.1928 8.1928 9.8562 9.8562 10.6575 10.6575 11.2057 11.2057 14.8868 14.8868 16.4755 16.4755 k = 0.2372 0.4108-0.0000 ( 3727 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.6793 -1.6793 -0.5026 -0.5026 5.2103 5.2103 5.4494 5.4494 5.5732 5.5732 6.1003 6.1003 6.4699 6.4699 7.2132 7.2132 7.8441 7.8441 8.1619 8.1619 9.9347 9.9347 10.6990 10.6990 11.2943 11.2943 14.9319 14.9319 16.4450 16.4450 k = 0.2308 0.3997-0.0000 ( 3735 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1846 -39.1846 -39.0965 -39.0965 -1.7394 -1.7394 -0.4695 -0.4695 5.2790 5.2790 5.4437 5.4437 5.5803 5.5803 6.0607 6.0607 6.4759 6.4759 7.2236 7.2236 7.8306 7.8306 8.1398 8.1398 10.0122 10.0122 10.7417 10.7417 11.3812 11.3812 14.9777 14.9777 16.4219 16.4219 k = 0.2244 0.3886-0.0000 ( 3731 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1845 -39.1845 -39.0965 -39.0965 -1.8000 -1.8000 -0.4365 -0.4365 5.3427 5.3427 5.4410 5.4410 5.5863 5.5863 6.0206 6.0206 6.4828 6.4828 7.2340 7.2340 7.8237 7.8237 8.1263 8.1263 10.0885 10.0885 10.7856 10.7856 11.4660 11.4660 15.0236 15.0236 16.4063 16.4063 k = 0.2179 0.3775-0.0000 ( 3735 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1844 -39.1844 -39.0965 -39.0965 -1.8609 -1.8609 -0.4036 -0.4036 5.3754 5.3754 5.4653 5.4653 5.5915 5.5915 5.9811 5.9811 6.4903 6.4903 7.2448 7.2448 7.8239 7.8239 8.1208 8.1208 10.1633 10.1633 10.8308 10.8308 11.5483 11.5483 15.0692 15.0692 16.3972 16.3972 k = 0.2115 0.3664-0.0000 ( 3747 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1844 -39.1844 -39.0965 -39.0965 -1.9217 -1.9217 -0.3708 -0.3708 5.3675 5.3675 5.5199 5.5199 5.6000 5.6000 5.9443 5.9443 6.4983 6.4983 7.2564 7.2564 7.8314 7.8314 8.1225 8.1225 10.2366 10.2366 10.8770 10.8770 11.6277 11.6277 15.1137 15.1137 16.3846 16.3846 k = 0.2051 0.3553-0.0000 ( 3747 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1843 -39.1843 -39.0964 -39.0964 -1.9825 -1.9825 -0.3382 -0.3382 5.3454 5.3454 5.5562 5.5562 5.6309 5.6309 5.9135 5.9135 6.5069 6.5069 7.2695 7.2695 7.8467 7.8467 8.1305 8.1305 10.3081 10.3081 10.9243 10.9243 11.7038 11.7038 15.1568 15.1568 16.3371 16.3371 k = 0.1987 0.3442-0.0000 ( 3743 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1841 -39.1841 -39.0964 -39.0964 -2.0429 -2.0429 -0.3059 -0.3059 5.3165 5.3165 5.5603 5.5603 5.6821 5.6821 5.8964 5.8964 6.5161 6.5161 7.2847 7.2847 7.8699 7.8699 8.1440 8.1440 10.3776 10.3776 10.9724 10.9724 11.7765 11.7765 15.1982 15.1982 16.2723 16.2723 k = 0.1923 0.3331-0.0000 ( 3735 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1840 -39.1840 -39.0964 -39.0964 -2.1027 -2.1027 -0.2739 -0.2739 5.2828 5.2828 5.5529 5.5529 5.7150 5.7150 5.9093 5.9093 6.5261 6.5261 7.3026 7.3026 7.9010 7.9010 8.1623 8.1623 10.4450 10.4450 11.0211 11.0211 11.8454 11.8454 15.2376 15.2376 16.2058 16.2058 k = 0.1859 0.3220-0.0000 ( 3747 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1839 -39.1839 -39.0964 -39.0964 -2.1619 -2.1619 -0.2423 -0.2423 5.2450 5.2450 5.5401 5.5401 5.7151 5.7151 5.9591 5.9591 6.5369 6.5369 7.3238 7.3238 7.9395 7.9395 8.1849 8.1849 10.5100 10.5100 11.0702 11.0702 11.9102 11.9102 15.2751 15.2751 16.1397 16.1397 k = 0.1795 0.3109-0.0000 ( 3747 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1838 -39.1838 -39.0964 -39.0964 -2.2203 -2.2203 -0.2111 -0.2111 5.2036 5.2036 5.5239 5.5239 5.6966 5.6966 6.0293 6.0293 6.5488 6.5488 7.3489 7.3489 7.9850 7.9850 8.2116 8.2116 10.5725 10.5725 11.1195 11.1195 11.9709 11.9709 15.3109 15.3109 16.0743 16.0743 k = 0.1731 0.2998-0.0000 ( 3739 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1837 -39.1837 -39.0964 -39.0964 -2.2777 -2.2777 -0.1803 -0.1803 5.1594 5.1594 5.5051 5.5051 5.6711 5.6711 6.1064 6.1064 6.5618 6.5618 7.3786 7.3786 8.0366 8.0366 8.2427 8.2427 10.6324 10.6324 11.1687 11.1687 12.0273 12.0273 15.3453 15.3453 16.0093 16.0093 k = 0.1667 0.2887-0.0000 ( 3739 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1836 -39.1836 -39.0964 -39.0964 -2.3340 -2.3340 -0.1500 -0.1500 5.1129 5.1129 5.4845 5.4845 5.6430 5.6430 6.1844 6.1844 6.5758 6.5758 7.4132 7.4132 8.0930 8.0930 8.2788 8.2788 10.6895 10.6895 11.2175 11.2175 12.0794 12.0794 15.3789 15.3789 15.9444 15.9444 k = 0.1603 0.2776-0.0000 ( 3743 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1835 -39.1835 -39.0964 -39.0964 -2.3890 -2.3890 -0.1203 -0.1203 5.0648 5.0648 5.4627 5.4627 5.6135 5.6135 6.2605 6.2605 6.5910 6.5910 7.4529 7.4529 8.1522 8.1522 8.3213 8.3213 10.7438 10.7438 11.2654 11.2654 12.1271 12.1271 15.4119 15.4119 15.8793 15.8793 k = 0.1538 0.2665-0.0000 ( 3743 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1834 -39.1834 -39.0963 -39.0963 -2.4427 -2.4427 -0.0912 -0.0912 5.0157 5.0157 5.4402 5.4402 5.5834 5.5834 6.3329 6.3329 6.6074 6.6074 7.4979 7.4979 8.2122 8.2122 8.3723 8.3723 10.7951 10.7951 11.3123 11.3123 12.1705 12.1705 15.4444 15.4444 15.8141 15.8141 k = 0.1474 0.2554-0.0000 ( 3745 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1832 -39.1832 -39.0963 -39.0963 -2.4950 -2.4950 -0.0628 -0.0628 4.9661 4.9661 5.4174 5.4174 5.5527 5.5527 6.4005 6.4005 6.6250 6.6250 7.5479 7.5479 8.2708 8.2708 8.4336 8.4336 10.8435 10.8435 11.3577 11.3577 12.2098 12.2098 15.4754 15.4754 15.7499 15.7499 k = 0.1410 0.2443-0.0000 ( 3741 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1831 -39.1831 -39.0963 -39.0963 -2.5456 -2.5456 -0.0350 -0.0350 4.9164 4.9164 5.3946 5.3946 5.5219 5.5219 6.4622 6.4622 6.6438 6.6438 7.6022 7.6022 8.3277 8.3277 8.5061 8.5061 10.8889 10.8889 11.4011 11.4011 12.2449 12.2449 15.5000 15.5000 15.6912 15.6912 k = 0.1346 0.2332-0.0000 ( 3741 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1830 -39.1830 -39.0963 -39.0963 -2.5946 -2.5946 -0.0081 -0.0081 4.8672 4.8672 5.3720 5.3720 5.4909 5.4909 6.5175 6.5175 6.6637 6.6637 7.6598 7.6598 8.3842 8.3842 8.5886 8.5886 10.9314 10.9314 11.4424 11.4424 12.2763 12.2763 15.5013 15.5013 15.6550 15.6550 k = 0.1282 0.2221-0.0000 ( 3737 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1829 -39.1829 -39.0963 -39.0963 -2.6419 -2.6419 0.0180 0.0180 4.8188 4.8188 5.3498 5.3498 5.4602 5.4602 6.5662 6.5662 6.6850 6.6850 7.7191 7.7191 8.4425 8.4425 8.6793 8.6793 10.9710 10.9710 11.4810 11.4810 12.3039 12.3039 15.4587 15.4587 15.6615 15.6615 k = 0.1218 0.2110-0.0000 ( 3733 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1828 -39.1828 -39.0963 -39.0963 -2.6872 -2.6872 0.0433 0.0433 4.7715 4.7715 5.3280 5.3280 5.4298 5.4298 6.6081 6.6081 6.7076 6.7076 7.7784 7.7784 8.5049 8.5049 8.7766 8.7766 11.0079 11.0079 11.5166 11.5166 12.3282 12.3282 15.3875 15.3875 15.6952 15.6952 k = 0.1154 0.1999-0.0000 ( 3731 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1827 -39.1827 -39.0963 -39.0963 -2.7307 -2.7307 0.0676 0.0676 4.7255 4.7255 5.3069 5.3069 5.3999 5.3999 6.6438 6.6438 6.7314 6.7314 7.8359 7.8359 8.5730 8.5730 8.8793 8.8793 11.0422 11.0422 11.5488 11.5488 12.3492 12.3492 15.3033 15.3033 15.7402 15.7402 k = 0.1090 0.1887-0.0000 ( 3727 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1825 -39.1825 -39.0963 -39.0963 -2.7722 -2.7722 0.0910 0.0910 4.6811 4.6811 5.2864 5.2864 5.3709 5.3709 6.6739 6.6739 6.7556 6.7556 7.8901 7.8901 8.6476 8.6476 8.9866 8.9866 11.0741 11.0741 11.5772 11.5772 12.3674 12.3674 15.2108 15.2108 15.7915 15.7915 k = 0.1026 0.1776-0.0000 ( 3723 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1824 -39.1824 -39.0962 -39.0962 -2.8117 -2.8117 0.1133 0.1133 4.6386 4.6386 5.2667 5.2667 5.3427 5.3427 6.6998 6.6998 6.7797 6.7797 7.9398 7.9398 8.7292 8.7292 9.0977 9.0977 11.1041 11.1041 11.6015 11.6015 12.3830 12.3830 15.1115 15.1115 15.8470 15.8470 k = 0.0962 0.1665-0.0000 ( 3723 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1823 -39.1823 -39.0962 -39.0962 -2.8490 -2.8490 0.1345 0.1345 4.5980 4.5980 5.2479 5.2479 5.3157 5.3157 6.7225 6.7225 6.8028 6.8028 7.9843 7.9843 8.8173 8.8173 9.2120 9.2120 11.1323 11.1323 11.6215 11.6215 12.3961 12.3961 15.0061 15.0061 15.9058 15.9058 k = 0.0897 0.1554-0.0000 ( 3727 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1822 -39.1822 -39.0962 -39.0962 -2.8841 -2.8841 0.1547 0.1547 4.5594 4.5594 5.2299 5.2299 5.2898 5.2898 6.7427 6.7427 6.8245 6.8245 8.0235 8.0235 8.9109 8.9109 9.3289 9.3289 11.1593 11.1593 11.6367 11.6367 12.4070 12.4070 14.8953 14.8953 15.9666 15.9666 k = 0.0833 0.1443-0.0000 ( 3729 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1821 -39.1821 -39.0962 -39.0962 -2.9171 -2.9171 0.1736 0.1736 4.5232 4.5232 5.2130 5.2130 5.2654 5.2654 6.7609 6.7609 6.8445 6.8445 8.0577 8.0577 9.0086 9.0086 9.4478 9.4478 11.1853 11.1853 11.6469 11.6469 12.4160 12.4160 14.7799 14.7799 16.0281 16.0281 k = 0.0769 0.1332-0.0000 ( 3727 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1821 -39.1821 -39.0962 -39.0962 -2.9477 -2.9477 0.1914 0.1914 4.4892 4.4892 5.1970 5.1970 5.2424 5.2424 6.7776 6.7776 6.8629 6.8629 8.0873 8.0873 9.1087 9.1087 9.5683 9.5683 11.2108 11.2108 11.6519 11.6519 12.4232 12.4232 14.6606 14.6606 16.0881 16.0881 k = 0.0705 0.1221-0.0000 ( 3719 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1820 -39.1820 -39.0962 -39.0962 -2.9761 -2.9761 0.2079 0.2079 4.4577 4.4577 5.1820 5.1820 5.2211 5.2211 6.7928 6.7928 6.8796 6.8796 8.1128 8.1128 9.2094 9.2094 9.6898 9.6898 11.2361 11.2361 11.6517 11.6517 12.4288 12.4288 14.5388 14.5388 16.1429 16.1429 k = 0.0641 0.1110-0.0000 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1819 -39.1819 -39.0962 -39.0962 -3.0021 -3.0021 0.2231 0.2231 4.4287 4.4287 5.1681 5.1681 5.2015 5.2015 6.8064 6.8064 6.8947 6.8947 8.1347 8.1347 9.3088 9.3088 9.8114 9.8114 11.2614 11.2614 11.6461 11.6461 12.4330 12.4330 14.4157 14.4157 16.1864 16.1864 k = 0.0577 0.0999-0.0000 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -3.0258 -3.0258 0.2370 0.2370 4.4022 4.4022 5.1553 5.1553 5.1837 5.1837 6.8188 6.8188 6.9083 6.9083 8.1535 8.1535 9.4051 9.4051 9.9327 9.9327 11.2867 11.2867 11.6356 11.6356 12.4360 12.4360 14.2929 14.2929 16.2088 16.2088 k = 0.0513 0.0888-0.0000 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1818 -39.1818 -39.0962 -39.0962 -3.0470 -3.0470 0.2495 0.2495 4.3785 4.3785 5.1435 5.1435 5.1678 5.1678 6.8297 6.8297 6.9204 6.9204 8.1694 8.1694 9.4964 9.4964 10.0526 10.0526 11.3115 11.3115 11.6207 11.6207 12.4378 12.4378 14.1725 14.1725 16.1996 16.1996 k = 0.0449 0.0777-0.0000 ( 3723 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1817 -39.1817 -39.0962 -39.0962 -3.0658 -3.0658 0.2606 0.2606 4.3574 4.3574 5.1329 5.1329 5.1539 5.1539 6.8393 6.8393 6.9311 6.9311 8.1829 8.1829 9.5810 9.5810 10.1702 10.1702 11.3342 11.3342 11.6029 11.6029 12.4385 12.4385 14.0563 14.0563 16.1584 16.1584 k = 0.0385 0.0666-0.0000 ( 3731 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1817 -39.1817 -39.0962 -39.0962 -3.0821 -3.0821 0.2703 0.2703 4.3390 4.3390 5.1233 5.1233 5.1420 5.1420 6.8476 6.8476 6.9403 6.9403 8.1941 8.1941 9.6573 9.6573 10.2842 10.2842 11.3519 11.3519 11.5852 11.5852 12.4385 12.4385 13.9469 13.9469 16.0980 16.0980 k = 0.0321 0.0555-0.0000 ( 3727 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -3.0960 -3.0960 0.2785 0.2785 4.3234 4.3234 5.1149 5.1149 5.1322 5.1322 6.8546 6.8546 6.9483 6.9483 8.2034 8.2034 9.7240 9.7240 10.3929 10.3929 11.3596 11.3596 11.5722 11.5722 12.4377 12.4377 13.8468 13.8468 16.0326 16.0326 k = 0.0256 0.0444-0.0000 ( 3717 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -3.1073 -3.1073 0.2853 0.2853 4.3106 4.3106 5.1078 5.1078 5.1244 5.1244 6.8603 6.8603 6.9549 6.9549 8.2107 8.2107 9.7799 9.7799 10.4940 10.4940 11.3529 11.3529 11.5685 11.5685 12.4364 12.4364 13.7589 13.7589 15.9718 15.9718 k = 0.0192 0.0333-0.0000 ( 3711 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1162 -3.1162 0.2906 0.2906 4.3006 4.3006 5.1021 5.1021 5.1184 5.1184 6.8647 6.8647 6.9600 6.9600 8.2163 8.2163 9.8241 9.8241 10.5841 10.5841 11.3324 11.3324 11.5740 11.5740 12.4348 12.4348 13.6862 13.6862 15.9208 15.9208 k = 0.0128 0.0222-0.0000 ( 3711 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1225 -3.1225 0.2944 0.2944 4.2935 4.2935 5.0979 5.0979 5.1142 5.1142 6.8678 6.8678 6.9636 6.9636 8.2203 8.2203 9.8561 9.8561 10.6581 10.6581 11.3053 11.3053 11.5836 11.5836 12.4333 12.4333 13.6316 13.6316 15.8827 15.8827 k = 0.0064 0.0111-0.0000 ( 3711 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0961 -39.0961 -3.1263 -3.1263 0.2967 0.2967 4.2892 4.2892 5.0953 5.0953 5.1117 5.1117 6.8697 6.8697 6.9658 6.9658 8.2226 8.2226 9.8754 9.8754 10.7084 10.7084 11.2820 11.2820 11.5918 11.5918 12.4322 12.4322 13.5977 13.5977 15.8593 15.8593 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1276 -3.1276 0.2974 0.2974 4.2877 4.2877 5.0944 5.0944 5.1109 5.1109 6.8703 6.8703 6.9665 6.9665 8.2234 8.2234 9.8819 9.8819 10.7266 10.7266 11.2726 11.2726 11.5949 11.5949 12.4318 12.4318 13.5862 13.5862 15.8513 15.8513 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1276 -3.1276 0.2974 0.2974 4.2877 4.2877 5.0944 5.0944 5.1109 5.1109 6.8703 6.8703 6.9665 6.9665 8.2234 8.2234 9.8819 9.8819 10.7266 10.7266 11.2726 11.2726 11.5949 11.5949 12.4318 12.4318 13.5862 13.5862 15.8513 15.8513 k = 0.0000 0.0000 0.0127 ( 3713 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0961 -39.0961 -3.1264 -3.1264 0.2929 0.2929 4.2931 4.2931 5.0948 5.0948 5.1111 5.1111 6.8703 6.8703 6.9664 6.9664 8.2236 8.2236 9.8798 9.8798 10.7235 10.7235 11.2752 11.2752 11.5988 11.5988 12.4258 12.4258 13.5878 13.5878 15.8560 15.8560 k = 0.0000 0.0000 0.0254 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1227 -3.1227 0.2792 0.2792 4.3092 4.3092 5.0957 5.0957 5.1116 5.1116 6.8701 6.8701 6.9661 6.9661 8.2243 8.2243 9.8736 9.8736 10.7145 10.7145 11.2827 11.2827 11.6102 11.6102 12.4080 12.4080 13.5926 13.5926 15.8698 15.8698 k = 0.0000 0.0000 0.0381 ( 3725 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0961 -39.0961 -3.1166 -3.1166 0.2568 0.2568 4.3357 4.3357 5.0973 5.0973 5.1126 5.1126 6.8700 6.8700 6.9656 6.9656 8.2256 8.2256 9.8635 9.8635 10.7001 10.7001 11.2949 11.2949 11.6288 11.6288 12.3786 12.3786 13.6010 13.6010 15.8923 15.8923 k = 0.0000 0.0000 0.0508 ( 3737 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.1080 -3.1080 0.2260 0.2260 4.3721 4.3721 5.0996 5.0996 5.1138 5.1138 6.8697 6.8697 6.9648 6.9648 8.2274 8.2274 9.8498 9.8498 10.6809 10.6809 11.3114 11.3114 11.6537 11.6537 12.3381 12.3381 13.6133 13.6133 15.9227 15.9227 k = 0.0000 0.0000 0.0635 ( 3737 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0970 -3.0970 0.1873 0.1873 4.4178 4.4178 5.1026 5.1026 5.1154 5.1154 6.8695 6.8695 6.9639 6.9639 8.2297 8.2297 9.8328 9.8328 10.6577 10.6577 11.3317 11.3317 11.6842 11.6842 12.2874 12.2874 13.6300 13.6300 15.9599 15.9599 k = 0.0000 0.0000 0.0762 ( 3761 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0837 -3.0837 0.1415 0.1415 4.4719 4.4719 5.1063 5.1063 5.1173 5.1173 6.8690 6.8690 6.9627 6.9627 8.2325 8.2325 9.8129 9.8129 10.6314 10.6314 11.3548 11.3548 11.7194 11.7194 12.2274 12.2274 13.6514 13.6514 16.0029 16.0029 k = 0.0000 0.0000 0.0889 ( 3761 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0679 -3.0679 0.0891 0.0891 4.5335 4.5335 5.1110 5.1110 5.1195 5.1195 6.8688 6.8688 6.9615 6.9615 8.2359 8.2359 9.7906 9.7906 10.6027 10.6027 11.3800 11.3800 11.7585 11.7585 12.1595 12.1595 13.6778 13.6778 16.0506 16.0506 k = 0.0000 0.0000 0.1016 ( 3761 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0497 -3.0497 0.0310 0.0310 4.6017 4.6017 5.1167 5.1167 5.1221 5.1221 6.8685 6.8685 6.9602 6.9602 8.2399 8.2399 9.7664 9.7664 10.5723 10.5723 11.4057 11.4057 11.8008 11.8008 12.0859 12.0859 13.7094 13.7094 16.1017 16.1017 k = 0.0000 0.0000 0.1143 ( 3761 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0292 -3.0292 -0.0322 -0.0322 4.6751 4.6751 5.1239 5.1239 5.1249 5.1249 6.8683 6.8683 6.9587 6.9587 8.2445 8.2445 9.7406 9.7406 10.5407 10.5407 11.4295 11.4295 11.8457 11.8457 12.0092 12.0092 13.7463 13.7463 16.1552 16.1552 k = 0.0000 0.0000 0.1270 ( 3762 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -3.0064 -3.0064 -0.0997 -0.0997 4.7522 4.7522 5.1279 5.1279 5.1332 5.1332 6.8681 6.8681 6.9571 6.9571 8.2496 8.2496 9.7138 9.7138 10.5084 10.5084 11.4475 11.4475 11.8927 11.8927 11.9342 11.9342 13.7884 13.7884 16.2100 16.2100 k = 0.0000 0.0000 0.1397 ( 3762 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.9812 -2.9812 -0.1709 -0.1709 4.8308 4.8308 5.1311 5.1311 5.1458 5.1458 6.8680 6.8680 6.9555 6.9555 8.2555 8.2555 9.6863 9.6863 10.4759 10.4759 11.4526 11.4526 11.8683 11.8683 11.9412 11.9412 13.8358 13.8358 16.2650 16.2650 k = 0.0000 0.0000 0.1524 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.9539 -2.9539 -0.2451 -0.2451 4.9074 4.9074 5.1346 5.1346 5.1646 5.1646 6.8680 6.8680 6.9538 6.9538 8.2621 8.2621 9.6585 9.6585 10.4434 10.4434 11.4344 11.4344 11.8225 11.8225 11.9909 11.9909 13.8882 13.8882 16.3187 16.3187 k = 0.0000 0.0000 0.1651 ( 3726 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0962 -39.0962 -2.9243 -2.9243 -0.3217 -0.3217 4.9759 4.9759 5.1382 5.1382 5.1945 5.1945 6.8682 6.8682 6.9520 6.9520 8.2694 8.2694 9.6308 9.6308 10.4113 10.4113 11.3855 11.3855 11.8046 11.8046 12.0413 12.0413 13.9454 13.9454 16.3655 16.3655 k = 0.0000 0.0000 0.1778 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.8927 -2.8927 -0.4001 -0.4001 5.0287 5.0287 5.1419 5.1419 5.2423 5.2423 6.8683 6.8683 6.9501 6.9501 8.2773 8.2773 9.6036 9.6036 10.3799 10.3799 11.3096 11.3096 11.8114 11.8114 12.0920 12.0920 14.0074 14.0074 16.3743 16.3743 k = 0.0000 0.0000 0.1905 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.8589 -2.8589 -0.4799 -0.4799 5.0634 5.0634 5.1456 5.1456 5.3096 5.3096 6.8688 6.8688 6.9483 6.9483 8.2861 8.2861 9.5772 9.5772 10.3492 10.3492 11.2160 11.2160 11.8338 11.8338 12.1427 12.1427 14.0738 14.0738 16.3388 16.3388 k = 0.0000 0.0000 0.2032 ( 3756 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.8232 -2.8232 -0.5604 -0.5604 5.0853 5.0853 5.1493 5.1493 5.3901 5.3901 6.8693 6.8693 6.9463 6.9463 8.2956 8.2956 9.5519 9.5519 10.3196 10.3196 11.1123 11.1123 11.8649 11.8649 12.1931 12.1931 14.1444 14.1444 16.2956 16.2956 k = 0.0000 0.0000 0.2159 ( 3756 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.7857 -2.7857 -0.6413 -0.6413 5.1001 5.1001 5.1531 5.1531 5.4775 5.4775 6.8702 6.8702 6.9445 6.9445 8.3061 8.3061 9.5282 9.5282 10.2912 10.2912 11.0027 11.0027 11.9004 11.9004 12.2427 12.2427 14.2187 14.2187 16.2514 16.2514 k = 0.0000 0.0000 0.2286 ( 3750 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.7464 -2.7464 -0.7221 -0.7221 5.1111 5.1111 5.1568 5.1568 5.5674 5.5674 6.8714 6.8714 6.9428 6.9428 8.3175 8.3175 9.5064 9.5064 10.2641 10.2641 10.8900 10.8900 11.9381 11.9381 12.2913 12.2913 14.2965 14.2965 16.2075 16.2075 k = 0.0000 0.0000 0.2413 ( 3750 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.7055 -2.7055 -0.8024 -0.8024 5.1199 5.1199 5.1604 5.1604 5.6573 5.6573 6.8729 6.8729 6.9411 6.9411 8.3298 8.3298 9.4868 9.4868 10.2385 10.2385 10.7758 10.7758 11.9765 11.9765 12.3385 12.3385 14.3772 14.3772 16.1648 16.1648 k = 0.0000 0.0000 0.2540 ( 3750 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.6633 -2.6633 -0.8817 -0.8817 5.1272 5.1272 5.1639 5.1639 5.7454 5.7454 6.8748 6.8748 6.9395 6.9395 8.3431 8.3431 9.4699 9.4699 10.2144 10.2144 10.6614 10.6614 12.0146 12.0146 12.3839 12.3839 14.4602 14.4602 16.1236 16.1236 k = 0.0000 0.0000 0.2667 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0962 -39.0962 -2.6200 -2.6200 -0.9594 -0.9594 5.1336 5.1336 5.1672 5.1672 5.8305 5.8305 6.8771 6.8771 6.9380 6.9380 8.3572 8.3572 9.4561 9.4561 10.1921 10.1921 10.5478 10.5478 12.0516 12.0516 12.4272 12.4272 14.5449 14.5449 16.0844 16.0844 k = 0.0000 0.0000 0.2794 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0962 -39.0962 -2.5759 -2.5759 -1.0352 -1.0352 5.1391 5.1391 5.1704 5.1704 5.9112 5.9112 6.8797 6.8797 6.9366 6.9366 8.3721 8.3721 9.4459 9.4459 10.1717 10.1717 10.4359 10.4359 12.0870 12.0870 12.4678 12.4678 14.6302 14.6302 16.0476 16.0476 k = 0.0000 0.0000 0.2921 ( 3738 PWs) bands (ev): -74.7779 -74.7779 -43.6062 -43.6062 -39.1815 -39.1815 -39.0962 -39.0962 -2.5316 -2.5316 -1.1083 -1.1083 5.1440 5.1440 5.1733 5.1733 5.9865 5.9865 6.8827 6.8827 6.9352 6.9352 8.3875 8.3875 9.4398 9.4398 10.1531 10.1531 10.3266 10.3266 12.1201 12.1201 12.5056 12.5056 14.7151 14.7151 16.0136 16.0136 k = 0.0000 0.0000 0.3048 ( 3744 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.4874 -2.4874 -1.1781 -1.1781 5.1483 5.1483 5.1759 5.1759 6.0553 6.0553 6.8861 6.8861 6.9340 6.9340 8.4032 8.4032 9.4384 9.4384 10.1365 10.1365 10.2207 10.2207 12.1506 12.1506 12.5400 12.5400 14.7983 14.7983 15.9828 15.9828 k = 0.0000 0.0000 0.3175 ( 3744 PWs) bands (ev): -74.7779 -74.7779 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.4443 -2.4443 -1.2437 -1.2437 5.1520 5.1520 5.1782 5.1782 6.1167 6.1167 6.8897 6.8897 6.9330 6.9330 8.4188 8.4188 9.4424 9.4424 10.1192 10.1192 10.1220 10.1220 12.1779 12.1779 12.5708 12.5708 14.8780 14.8780 15.9555 15.9555 k = 0.0000 0.0000 0.3302 ( 3756 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.4033 -2.4033 -1.3039 -1.3039 5.1551 5.1551 5.1802 5.1802 6.1698 6.1698 6.8934 6.8934 6.9320 6.9320 8.4337 8.4337 9.4523 9.4523 10.0230 10.0230 10.1096 10.1096 12.2018 12.2018 12.5975 12.5975 14.9521 14.9521 15.9321 15.9321 k = 0.0000 0.0000 0.3429 ( 3774 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.3657 -2.3657 -1.3574 -1.3574 5.1576 5.1576 5.1819 5.1819 6.2140 6.2140 6.8970 6.8970 6.9312 6.9312 8.4474 8.4474 9.4687 9.4687 9.9331 9.9331 10.0993 10.0993 12.2217 12.2217 12.6198 12.6198 15.0184 15.0184 15.9128 15.9128 k = 0.0000 0.0000 0.3556 ( 3774 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.3332 -2.3332 -1.4023 -1.4023 5.1596 5.1596 5.1832 5.1832 6.2489 6.2489 6.9004 6.9004 6.9306 6.9306 8.4590 8.4590 9.4918 9.4918 9.8509 9.8509 10.0913 10.0913 12.2376 12.2376 12.6375 12.6375 15.0740 15.0740 15.8979 15.8979 k = 0.0000 0.0000 0.3683 ( 3774 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.3077 -2.3077 -1.4366 -1.4366 5.1611 5.1611 5.1842 5.1842 6.2740 6.2740 6.9030 6.9030 6.9302 6.9302 8.4679 8.4679 9.5209 9.5209 9.7784 9.7784 10.0856 10.0856 12.2492 12.2492 12.6504 12.6504 15.1163 15.1163 15.8873 15.8873 k = 0.0000 0.0000 0.3810 ( 3768 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2913 -2.2913 -1.4583 -1.4583 5.1619 5.1619 5.1848 5.1848 6.2892 6.2892 6.9048 6.9048 6.9299 6.9299 8.4736 8.4736 9.5521 9.5521 9.7208 9.7208 10.0821 10.0821 12.2561 12.2561 12.6581 12.6581 15.1429 15.1429 15.8810 15.8810 k = 0.0000 0.0000 0.3937 ( 3780 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2857 -2.2857 -1.4657 -1.4657 5.1622 5.1622 5.1849 5.1849 6.2943 6.2943 6.9053 6.9053 6.9297 6.9297 8.4755 8.4755 9.5692 9.5692 9.6948 9.6948 10.0810 10.0810 12.2585 12.2585 12.6607 12.6607 15.1519 15.1519 15.8789 15.8789 k = 0.0000 0.0000 0.3937 ( 3780 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2857 -2.2857 -1.4657 -1.4657 5.1622 5.1622 5.1849 5.1849 6.2943 6.2943 6.9053 6.9053 6.9297 6.9297 8.4755 8.4755 9.5692 9.5692 9.6948 9.6948 10.0810 10.0810 12.2585 12.2585 12.6607 12.6607 15.1519 15.1519 15.8789 15.8789 k = 0.0111 0.0064 0.3937 ( 3770 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2845 -2.2845 -1.4652 -1.4652 5.1615 5.1615 5.1844 5.1844 6.2945 6.2945 6.9045 6.9045 6.9286 6.9286 8.4777 8.4777 9.5369 9.5369 9.7110 9.7110 10.0953 10.0953 12.2510 12.2510 12.6513 12.6513 15.1597 15.1597 15.8812 15.8812 k = 0.0222 0.0128 0.3937 ( 3762 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2809 -2.2809 -1.4636 -1.4636 5.1586 5.1586 5.1835 5.1835 6.2951 6.2951 6.9021 6.9021 6.9250 6.9250 8.4839 8.4839 9.4679 9.4679 9.7355 9.7355 10.1348 10.1348 12.2286 12.2286 12.6237 12.6237 15.1820 15.1820 15.8858 15.8858 k = 0.0333 0.0192 0.3937 ( 3762 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2750 -2.2750 -1.4609 -1.4609 5.1518 5.1518 5.1840 5.1840 6.2961 6.2961 6.8977 6.8977 6.9194 6.9194 8.4934 8.4934 9.3858 9.3858 9.7533 9.7533 10.1911 10.1911 12.1913 12.1913 12.5802 12.5802 15.2157 15.2157 15.8875 15.8875 k = 0.0444 0.0257 0.3937 ( 3762 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2666 -2.2666 -1.4571 -1.4571 5.1407 5.1407 5.1865 5.1865 6.2973 6.2973 6.8907 6.8907 6.9124 6.9124 8.5046 8.5046 9.2998 9.2998 9.7647 9.7647 10.2559 10.2559 12.1394 12.1394 12.5240 12.5240 15.2556 15.2556 15.8850 15.8850 k = 0.0556 0.0321 0.3937 ( 3766 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2560 -2.2560 -1.4522 -1.4522 5.1255 5.1255 5.1909 5.1909 6.2987 6.2987 6.8803 6.8803 6.9049 6.9049 8.5153 8.5153 9.2158 9.2158 9.7719 9.7719 10.3226 10.3226 12.0738 12.0738 12.4586 12.4586 15.2945 15.2945 15.8846 15.8846 k = 0.0667 0.0385 0.3937 ( 3770 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2430 -2.2430 -1.4464 -1.4464 5.1069 5.1069 5.1969 5.1969 6.3001 6.3001 6.8662 6.8662 6.8975 6.8975 8.5214 8.5214 9.1394 9.1394 9.7764 9.7764 10.3868 10.3868 11.9956 11.9956 12.3874 12.3874 15.3237 15.3237 15.8964 15.8964 k = 0.0778 0.0449 0.3937 ( 3766 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1817 -39.1817 -39.0962 -39.0962 -2.2277 -2.2277 -1.4395 -1.4395 5.0855 5.0855 5.2043 5.2043 6.3012 6.3012 6.8484 6.8484 6.8900 6.8900 8.5175 8.5175 9.0771 9.0771 9.7791 9.7791 10.4451 10.4451 11.9073 11.9073 12.3130 12.3130 15.3361 15.3361 15.9285 15.9285 k = 0.0889 0.0513 0.3937 ( 3770 PWs) bands (ev): -74.7780 -74.7780 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -2.2101 -2.2101 -1.4316 -1.4316 5.0615 5.0615 5.2128 5.2128 6.3018 6.3018 6.8274 6.8274 6.8824 6.8824 8.4978 8.4978 9.0356 9.0356 9.7805 9.7805 10.4942 10.4942 11.8121 11.8121 12.2370 12.2370 15.3299 15.3299 15.9830 15.9830 k = 0.1000 0.0577 0.3937 ( 3762 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -2.1903 -2.1903 -1.4228 -1.4228 5.0356 5.0356 5.2224 5.2224 6.3013 6.3013 6.8035 6.8035 6.8747 6.8747 8.4592 8.4592 9.0181 9.0181 9.7808 9.7808 10.5312 10.5312 11.7144 11.7144 12.1607 12.1607 15.3083 15.3083 16.0559 16.0559 k = 0.1111 0.0642 0.3937 ( 3764 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1819 -39.1819 -39.0962 -39.0962 -2.1684 -2.1684 -1.4130 -1.4130 5.0079 5.0079 5.2331 5.2331 6.2990 6.2990 6.7771 6.7771 6.8668 6.8668 8.4039 8.4039 9.0227 9.0227 9.7800 9.7800 10.5522 10.5522 11.6193 11.6193 12.0847 12.0847 15.2767 15.2767 16.1400 16.1400 k = 0.1222 0.0706 0.3937 ( 3772 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1820 -39.1820 -39.0962 -39.0962 -2.1443 -2.1443 -1.4023 -1.4023 4.9789 4.9789 5.2446 5.2446 6.2941 6.2941 6.7487 6.7487 6.8588 6.8588 8.3376 8.3376 9.0435 9.0435 9.7781 9.7781 10.5533 10.5533 11.5326 11.5326 12.0096 12.0096 15.2398 15.2398 16.2267 16.2267 k = 0.1333 0.0770 0.3937 ( 3768 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1821 -39.1821 -39.0962 -39.0962 -2.1181 -2.1181 -1.3908 -1.3908 4.9490 4.9490 5.2570 5.2570 6.2854 6.2854 6.7193 6.7193 6.8512 6.8512 8.2658 8.2658 9.0746 9.0746 9.7750 9.7750 10.5312 10.5312 11.4593 11.4593 11.9362 11.9362 15.2008 15.2008 16.3047 16.3047 k = 0.1444 0.0834 0.3937 ( 3764 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1821 -39.1821 -39.0963 -39.0963 -2.0899 -2.0899 -1.3785 -1.3785 4.9185 4.9185 5.2701 5.2701 6.2713 6.2713 6.6900 6.6900 6.8439 6.8439 8.1929 8.1929 9.1110 9.1110 9.7704 9.7704 10.4848 10.4848 11.4025 11.4025 11.8649 11.8649 15.1621 15.1621 16.3584 16.3584 k = 0.1556 0.0898 0.3937 ( 3762 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1822 -39.1822 -39.0963 -39.0963 -2.0598 -2.0598 -1.3654 -1.3654 4.8878 4.8878 5.2839 5.2839 6.2500 6.2500 6.6625 6.6625 6.8373 6.8373 8.1217 8.1217 9.1485 9.1485 9.7639 9.7639 10.4169 10.4169 11.3619 11.3619 11.7964 11.7964 15.1251 15.1251 16.3745 16.3745 k = 0.1667 0.0962 0.3937 ( 3754 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1823 -39.1823 -39.0963 -39.0963 -2.0278 -2.0278 -1.3516 -1.3516 4.8570 4.8570 5.2983 5.2983 6.2199 6.2199 6.6384 6.6384 6.8317 6.8317 8.0538 8.0538 9.1837 9.1837 9.7539 9.7539 10.3343 10.3343 11.3343 11.3343 11.7317 11.7317 15.0911 15.0911 16.3560 16.3560 k = 0.1778 0.1026 0.3937 ( 3754 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1824 -39.1824 -39.0963 -39.0963 -1.9941 -1.9941 -1.3372 -1.3372 4.8265 4.8265 5.3130 5.3130 6.1798 6.1798 6.6187 6.6187 6.8271 6.8271 7.9906 7.9906 9.2131 9.2131 9.7374 9.7374 10.2470 10.2470 11.3149 11.3149 11.6716 11.6716 15.0606 15.0606 16.3170 16.3170 k = 0.1889 0.1091 0.3937 ( 3752 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1825 -39.1825 -39.0963 -39.0963 -1.9587 -1.9587 -1.3221 -1.3221 4.7964 4.7964 5.3280 5.3280 6.1294 6.1294 6.6042 6.6042 6.8240 6.8240 7.9324 7.9324 9.2329 9.2329 9.7087 9.7087 10.1679 10.1679 11.2994 11.2994 11.6171 11.6171 15.0342 15.0342 16.2686 16.2686 k = 0.2000 0.1155 0.3937 ( 3744 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1827 -39.1827 -39.0963 -39.0963 -1.9217 -1.9217 -1.3065 -1.3065 4.7670 4.7670 5.3433 5.3433 6.0694 6.0694 6.5945 6.5945 6.8225 6.8225 7.8797 7.8797 9.2393 9.2393 9.6607 9.6607 10.1107 10.1107 11.2843 11.2843 11.5693 11.5693 15.0123 15.0123 16.2168 16.2168 k = 0.2111 0.1219 0.3937 ( 3748 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1828 -39.1828 -39.0963 -39.0963 -1.8833 -1.8833 -1.2903 -1.2903 4.7384 4.7384 5.3585 5.3585 6.0013 6.0013 6.5890 6.5890 6.8226 6.8226 7.8323 7.8323 9.2279 9.2279 9.5919 9.5919 10.0831 10.0831 11.2672 11.2672 11.5292 11.5292 14.9949 14.9949 16.1646 16.1646 k = 0.2222 0.1283 0.3937 ( 3752 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1829 -39.1829 -39.0963 -39.0963 -1.8436 -1.8436 -1.2738 -1.2738 4.7106 4.7106 5.3736 5.3736 5.9265 5.9265 6.5867 6.5867 6.8246 6.8246 7.7901 7.7901 9.1931 9.1931 9.5121 9.5121 10.0821 10.0821 11.2467 11.2467 11.4973 11.4973 14.9822 14.9822 16.1135 16.1135 k = 0.2333 0.1347 0.3937 ( 3748 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1830 -39.1830 -39.0963 -39.0963 -1.8028 -1.8028 -1.2568 -1.2568 4.6837 4.6837 5.3884 5.3884 5.8469 5.8469 6.5873 6.5873 6.8285 6.8285 7.7527 7.7527 9.1295 9.1295 9.4355 9.4355 10.0996 10.0996 11.2231 11.2231 11.4735 11.4735 14.9743 14.9743 16.0642 16.0642 k = 0.2444 0.1411 0.3937 ( 3744 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1831 -39.1831 -39.0964 -39.0964 -1.7610 -1.7610 -1.2395 -1.2395 4.6577 4.6577 5.4028 5.4028 5.7641 5.7641 6.5900 6.5900 6.8342 6.8342 7.7196 7.7196 9.0374 9.0374 9.3696 9.3696 10.1282 10.1282 11.1971 11.1971 11.4568 11.4568 14.9710 14.9710 16.0171 16.0171 k = 0.2556 0.1475 0.3937 ( 3748 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1832 -39.1832 -39.0964 -39.0964 -1.7184 -1.7184 -1.2219 -1.2219 4.6323 4.6323 5.4167 5.4167 5.6794 5.6794 6.5945 6.5945 6.8416 6.8416 7.6904 7.6904 8.9245 8.9245 9.3122 9.3122 10.1627 10.1627 11.1702 11.1702 11.4464 11.4464 14.9723 14.9723 15.9726 15.9726 k = 0.2667 0.1540 0.3937 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1833 -39.1833 -39.0964 -39.0964 -1.6751 -1.6751 -1.2041 -1.2041 4.6075 4.6075 5.4298 5.4298 5.5945 5.5945 6.6009 6.6009 6.8504 6.8504 7.6648 7.6648 8.8001 8.8001 9.2582 9.2582 10.1993 10.1993 11.1436 11.1436 11.4414 11.4414 14.9780 14.9780 15.9307 15.9307 k = 0.2778 0.1604 0.3937 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1835 -39.1835 -39.0964 -39.0964 -1.6315 -1.6315 -1.1861 -1.1861 4.5827 4.5827 5.4419 5.4419 5.5109 5.5109 6.6089 6.6089 6.8605 6.8605 7.6420 7.6420 8.6704 8.6704 9.2043 9.2043 10.2352 10.2352 11.1182 11.1182 11.4415 11.4415 14.9880 14.9880 15.8915 15.8915 k = 0.2889 0.1668 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1836 -39.1836 -39.0964 -39.0964 -1.5878 -1.5878 -1.1679 -1.1679 4.5576 4.5576 5.4275 5.4275 5.4553 5.4553 6.6186 6.6186 6.8715 6.8715 7.6218 7.6218 8.5392 8.5392 9.1489 9.1489 10.2684 10.2684 11.0947 11.0947 11.4466 11.4466 15.0019 15.0019 15.8551 15.8551 k = 0.3000 0.1732 0.3937 ( 3748 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1837 -39.1837 -39.0964 -39.0964 -1.5442 -1.5442 -1.1495 -1.1495 4.5314 4.5314 5.3513 5.3513 5.4647 5.4647 6.6298 6.6298 6.8833 6.8833 7.6036 7.6036 8.4092 8.4092 9.0916 9.0916 10.2974 10.2974 11.0733 11.0733 11.4566 11.4566 15.0195 15.0195 15.8214 15.8214 k = 0.3111 0.1796 0.3937 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1838 -39.1838 -39.0964 -39.0964 -1.5011 -1.5011 -1.1309 -1.1309 4.5036 4.5036 5.2796 5.2796 5.4741 5.4741 6.6426 6.6426 6.8956 6.8956 7.5868 7.5868 8.2822 8.2822 9.0324 9.0324 10.3211 10.3211 11.0542 11.0542 11.4716 11.4716 15.0406 15.0406 15.7905 15.7905 k = 0.3222 0.1860 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1839 -39.1839 -39.0964 -39.0964 -1.4587 -1.4587 -1.1123 -1.1123 4.4732 4.4732 5.2148 5.2148 5.4823 5.4823 6.6565 6.6565 6.9079 6.9079 7.5705 7.5705 8.1602 8.1602 8.9717 8.9717 10.3389 10.3389 11.0375 11.0375 11.4913 11.4913 15.0648 15.0648 15.7625 15.7625 k = 0.3333 0.1925 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1840 -39.1840 -39.0964 -39.0964 -1.4174 -1.4174 -1.0934 -1.0934 4.4396 4.4396 5.1582 5.1582 5.4896 5.4896 6.6714 6.6714 6.9202 6.9202 7.5539 7.5539 8.0449 8.0449 8.9098 8.9098 10.3508 10.3508 11.0230 11.0230 11.5155 11.5155 15.0916 15.0916 15.7376 15.7376 k = 0.3444 0.1989 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1841 -39.1841 -39.0965 -39.0965 -1.3777 -1.3777 -1.0743 -1.0743 4.4023 4.4023 5.1107 5.1107 5.4958 5.4958 6.6868 6.6868 6.9322 6.9322 7.5351 7.5351 7.9391 7.9391 8.8473 8.8473 10.3570 10.3570 11.0106 11.0106 11.5434 11.5434 15.1205 15.1205 15.7157 15.7157 k = 0.3556 0.2053 0.3937 ( 3728 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1842 -39.1842 -39.0965 -39.0965 -1.3399 -1.3399 -1.0550 -1.0550 4.3614 4.3614 5.0728 5.0728 5.5010 5.5010 6.7019 6.7019 6.9437 6.9437 7.5119 7.5119 7.8461 7.8461 8.7845 8.7845 10.3582 10.3582 11.0001 11.0001 11.5744 11.5744 15.1510 15.1510 15.6973 15.6973 k = 0.3667 0.2117 0.3937 ( 3724 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1843 -39.1843 -39.0965 -39.0965 -1.3044 -1.3044 -1.0354 -1.0354 4.3174 4.3174 5.0443 5.0443 5.5053 5.5053 6.7156 6.7156 6.9547 6.9547 7.4809 7.4809 7.7702 7.7702 8.7220 8.7220 10.3550 10.3550 10.9913 10.9913 11.6075 11.6075 15.1823 15.1823 15.6826 15.6826 k = 0.3778 0.2181 0.3937 ( 3726 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1844 -39.1844 -39.0965 -39.0965 -1.2715 -1.2715 -1.0156 -1.0156 4.2711 4.2711 5.0245 5.0245 5.5087 5.5087 6.7263 6.7263 6.9653 6.9653 7.4406 7.4406 7.7143 7.7143 8.6603 8.6603 10.3483 10.3483 10.9840 10.9840 11.6416 11.6416 15.2135 15.2135 15.6721 15.6721 k = 0.3889 0.2245 0.3937 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1845 -39.1845 -39.0965 -39.0965 -1.2416 -1.2416 -0.9956 -0.9956 4.2237 4.2237 5.0125 5.0125 5.5113 5.5113 6.7321 6.7321 6.9758 6.9758 7.3935 7.3935 7.6774 7.6774 8.6000 8.6000 10.3391 10.3391 10.9779 10.9779 11.6760 11.6760 15.2435 15.2435 15.6661 15.6661 k = 0.4000 0.2309 0.3937 ( 3726 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1845 -39.1845 -39.0965 -39.0965 -1.2149 -1.2149 -0.9757 -0.9757 4.1767 4.1767 5.0070 5.0070 5.5134 5.5134 6.7312 6.7312 6.9870 6.9870 7.3460 7.3460 7.6545 7.6545 8.5418 8.5418 10.3282 10.3282 10.9730 10.9730 11.7098 11.7098 15.2712 15.2712 15.6653 15.6653 k = 0.4111 0.2374 0.3937 ( 3730 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1846 -39.1846 -39.0965 -39.0965 -1.1915 -1.1915 -0.9561 -0.9561 4.1313 4.1313 5.0067 5.0067 5.5148 5.5148 6.7218 6.7218 6.9991 6.9991 7.3039 7.3039 7.6405 7.6405 8.4862 8.4862 10.3164 10.3164 10.9689 10.9689 11.7420 11.7420 15.2955 15.2955 15.6698 15.6698 k = 0.4222 0.2438 0.3937 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.1714 -1.1714 -0.9372 -0.9372 4.0887 4.0887 5.0103 5.0103 5.5158 5.5158 6.7040 6.7040 7.0125 7.0125 7.2706 7.2706 7.6320 7.6320 8.4339 8.4339 10.3044 10.3044 10.9656 10.9656 11.7720 11.7720 15.3156 15.3156 15.6796 15.6796 k = 0.4333 0.2502 0.3937 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.1544 -1.1544 -0.9195 -0.9195 4.0498 4.0498 5.0167 5.0167 5.5164 5.5164 6.6796 6.6796 7.0267 7.0267 7.2465 7.2465 7.6269 7.6269 8.3858 8.3858 10.2928 10.2928 10.9629 10.9629 11.7993 11.7993 15.3314 15.3314 15.6939 15.6939 k = 0.4444 0.2566 0.3937 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.1404 -1.1404 -0.9035 -0.9035 4.0155 4.0155 5.0246 5.0246 5.5167 5.5167 6.6515 6.6515 7.0408 7.0408 7.2307 7.2307 7.6240 7.6240 8.3427 8.3427 10.2821 10.2821 10.9608 10.9608 11.8232 11.8232 15.3429 15.3429 15.7111 15.7111 k = 0.4556 0.2630 0.3937 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.1292 -1.1292 -0.8896 -0.8896 3.9865 3.9865 5.0329 5.0329 5.5169 5.5169 6.6233 6.6233 7.0538 7.0538 7.2213 7.2213 7.6224 7.6224 8.3056 8.3056 10.2728 10.2728 10.9592 10.9592 11.8434 11.8434 15.3510 15.3510 15.7294 15.7294 k = 0.4667 0.2694 0.3937 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1848 -39.1848 -39.0965 -39.0965 -1.1207 -1.1207 -0.8784 -0.8784 3.9634 3.9634 5.0407 5.0407 5.5170 5.5170 6.5980 6.5980 7.0647 7.0647 7.2165 7.2165 7.6217 7.6217 8.2754 8.2754 10.2652 10.2652 10.9580 10.9580 11.8594 11.8594 15.3562 15.3562 15.7465 15.7465 k = 0.4778 0.2758 0.3937 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1848 -39.1848 -39.0965 -39.0965 -1.1147 -1.1147 -0.8701 -0.8701 3.9466 3.9466 5.0469 5.0469 5.5170 5.5170 6.5781 6.5781 7.0727 7.0727 7.2146 7.2146 7.6214 7.6214 8.2530 8.2530 10.2596 10.2596 10.9572 10.9572 11.8710 11.8710 15.3595 15.3595 15.7605 15.7605 k = 0.4889 0.2823 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1848 -39.1848 -39.0965 -39.0965 -1.1112 -1.1112 -0.8650 -0.8650 3.9364 3.9364 5.0510 5.0510 5.5170 5.5170 6.5655 6.5655 7.0776 7.0776 7.2140 7.2140 7.6213 7.6213 8.2392 8.2392 10.2562 10.2562 10.9567 10.9567 11.8781 11.8781 15.3612 15.3612 15.7696 15.7696 k = 0.5000 0.2887 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1100 -1.1100 -0.8633 -0.8633 3.9330 3.9330 5.0524 5.0524 5.5170 5.5170 6.5612 6.5612 7.0792 7.0792 7.2140 7.2140 7.6213 7.6213 8.2345 8.2345 10.2550 10.2550 10.9565 10.9565 11.8804 11.8804 15.3617 15.3617 15.7727 15.7727 k = 0.5000 0.2887 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1100 -1.1100 -0.8633 -0.8633 3.9330 3.9330 5.0524 5.0524 5.5170 5.5170 6.5612 6.5612 7.0792 7.0792 7.2140 7.2140 7.6213 7.6213 8.2345 8.2345 10.2550 10.2550 10.9565 10.9565 11.8804 11.8804 15.3617 15.3617 15.7727 15.7727 k = 0.4936 0.2998 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1094 -1.1094 -0.8633 -0.8633 3.9347 3.9347 5.0503 5.0503 5.5204 5.5204 6.5609 6.5609 7.0790 7.0790 7.2137 7.2137 7.6171 7.6171 8.2315 8.2315 10.2242 10.2242 10.9858 10.9858 11.8880 11.8880 15.3673 15.3673 15.7757 15.7757 k = 0.4872 0.3109 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1075 -1.1075 -0.8631 -0.8631 3.9396 3.9396 5.0442 5.0442 5.5304 5.5304 6.5602 6.5602 7.0782 7.0782 7.2127 7.2127 7.6046 7.6046 8.2228 8.2228 10.1436 10.1436 11.0616 11.0616 11.9104 11.9104 15.3840 15.3840 15.7846 15.7846 k = 0.4808 0.3220 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1044 -1.1044 -0.8629 -0.8629 3.9477 3.9477 5.0345 5.0345 5.5465 5.5465 6.5589 6.5589 7.0767 7.0767 7.2111 7.2111 7.5836 7.5836 8.2093 8.2093 10.0338 10.0338 11.1635 11.1635 11.9467 11.9467 15.4118 15.4118 15.7997 15.7997 k = 0.4744 0.3331 0.3937 ( 3748 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1001 -1.1001 -0.8626 -0.8626 3.9591 3.9591 5.0221 5.0221 5.5680 5.5680 6.5569 6.5569 7.0740 7.0740 7.2087 7.2087 7.5547 7.5547 8.1924 8.1924 9.9087 9.9087 11.2776 11.2776 11.9957 11.9957 15.4505 15.4505 15.8211 15.8211 k = 0.4679 0.3442 0.3937 ( 3748 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0946 -1.0946 -0.8622 -0.8622 3.9737 3.9737 5.0075 5.0075 5.5941 5.5941 6.5540 6.5540 7.0698 7.0698 7.2056 7.2056 7.5186 7.5186 8.1735 8.1735 9.7756 9.7756 11.3964 11.3964 12.0557 12.0557 15.5001 15.5001 15.8492 15.8492 k = 0.4615 0.3553 0.3937 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0879 -1.0879 -0.8618 -0.8618 3.9916 3.9916 4.9915 4.9915 5.6242 5.6242 6.5499 6.5499 7.0629 7.0629 7.2017 7.2017 7.4767 7.4767 8.1540 8.1540 9.6385 9.6385 11.5160 11.5160 12.1248 12.1248 15.5604 15.5604 15.8843 15.8843 k = 0.4551 0.3664 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0802 -1.0802 -0.8613 -0.8613 4.0125 4.0125 4.9747 4.9747 5.6575 5.6575 6.5443 6.5443 7.0518 7.0518 7.1968 7.1968 7.4317 7.4317 8.1348 8.1348 9.4998 9.4998 11.6341 11.6341 12.2008 12.2008 15.6311 15.6311 15.9269 15.9269 k = 0.4487 0.3775 0.3937 ( 3738 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0714 -1.0714 -0.8608 -0.8608 4.0365 4.0365 4.9574 4.9574 5.6936 5.6936 6.5364 6.5364 7.0344 7.0344 7.1911 7.1911 7.3871 7.3871 8.1166 8.1166 9.3610 9.3610 11.7493 11.7493 12.2815 12.2815 15.7117 15.7117 15.9776 15.9776 k = 0.4423 0.3886 0.3937 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0617 -1.0617 -0.8603 -0.8603 4.0636 4.0636 4.9401 4.9401 5.7319 5.7319 6.5256 6.5256 7.0085 7.0085 7.1849 7.1849 7.3470 7.3470 8.0997 8.0997 9.2233 9.2233 11.8606 11.8606 12.3650 12.3650 15.8017 15.8017 16.0369 16.0369 k = 0.4359 0.3997 0.3937 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.0511 -1.0511 -0.8597 -0.8597 4.0936 4.0936 4.9229 4.9229 5.7721 5.7721 6.5106 6.5106 6.9730 6.9730 7.1787 7.1787 7.3145 7.3145 8.0841 8.0841 9.0875 9.0875 11.9676 11.9676 12.4492 12.4492 15.9003 15.9003 16.1055 16.1055 k = 0.4295 0.4108 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0965 -39.0965 -1.0397 -1.0397 -0.8592 -0.8592 4.1264 4.1264 4.9062 4.9062 5.8134 5.8134 6.4898 6.4898 6.9299 6.9299 7.1729 7.1729 7.2903 7.2903 8.0697 8.0697 8.9546 8.9546 12.0697 12.0697 12.5324 12.5324 16.0063 16.0063 16.1841 16.1841 k = 0.4231 0.4219 0.3937 ( 3716 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0966 -39.0966 -1.0277 -1.0277 -0.8587 -0.8587 4.1619 4.1619 4.8900 4.8900 5.8553 5.8553 6.4616 6.4616 6.8836 6.8836 7.1679 7.1679 7.2729 7.2729 8.0563 8.0563 8.8252 8.8252 12.1666 12.1666 12.6128 12.6128 16.1184 16.1184 16.2737 16.2737 k = 0.4167 0.4330 0.3937 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0966 -39.0966 -1.0152 -1.0152 -0.8583 -0.8583 4.1999 4.1999 4.8745 4.8745 5.8966 5.8966 6.4249 6.4249 6.8394 6.8394 7.1631 7.1631 7.2601 7.2601 8.0437 8.0437 8.7001 8.7001 12.2580 12.2580 12.6893 12.6893 16.2348 16.2348 16.3748 16.3748 k = 0.4103 0.4441 0.3937 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0966 -39.0966 -1.0022 -1.0022 -0.8580 -0.8580 4.2403 4.2403 4.8598 4.8598 5.9355 5.9355 6.3807 6.3807 6.8012 6.8012 7.1585 7.1585 7.2503 7.2503 8.0317 8.0317 8.5804 8.5804 12.3439 12.3439 12.7608 12.7608 16.3542 16.3542 16.4876 16.4876 k = 0.4038 0.4552 0.3937 ( 3740 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0966 -39.0966 -0.9889 -0.9889 -0.8577 -0.8577 4.2827 4.2827 4.8459 4.8459 5.9681 5.9681 6.3336 6.3336 6.7705 6.7705 7.1532 7.1532 7.2420 7.2420 8.0202 8.0202 8.4668 8.4668 12.4238 12.4238 12.8265 12.8265 16.4758 16.4758 16.6112 16.6112 k = 0.3974 0.4663 0.3937 ( 3740 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1851 -39.1851 -39.0966 -39.0966 -0.9755 -0.9755 -0.8577 -0.8577 4.3268 4.3268 4.8329 4.8329 5.9867 5.9867 6.2938 6.2938 6.7468 6.7468 7.1468 7.1468 7.2344 7.2344 8.0090 8.0090 8.3607 8.3607 12.4977 12.4977 12.8860 12.8860 16.5998 16.5998 16.7430 16.7430 k = 0.3910 0.4774 0.3937 ( 3738 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1851 -39.1851 -39.0966 -39.0966 -0.9622 -0.9622 -0.8578 -0.8578 4.3722 4.3722 4.8210 4.8210 5.9802 5.9802 6.2754 6.2754 6.7288 6.7288 7.1384 7.1384 7.2267 7.2267 7.9979 7.9979 8.2632 8.2632 12.5653 12.5653 12.9390 12.9390 16.7263 16.7263 16.8803 16.8803 k = 0.3846 0.4885 0.3937 ( 3738 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9490 -0.9490 -0.8581 -0.8581 4.4182 4.4182 4.8102 4.8102 5.9445 5.9445 6.2849 6.2849 6.7150 6.7150 7.1269 7.1269 7.2188 7.2188 7.9868 7.9868 8.1758 8.1758 12.6264 12.6264 12.9856 12.9856 16.8551 16.8551 17.0202 17.0202 k = 0.3782 0.4996 0.3937 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9363 -0.9363 -0.8586 -0.8586 4.4641 4.4641 4.8007 4.8007 5.8896 5.8896 6.3150 6.3150 6.7042 6.7042 7.1110 7.1110 7.2109 7.2109 7.9752 7.9752 8.1003 8.1003 12.6806 12.6806 13.0260 13.0260 16.9853 16.9853 17.1597 17.1597 k = 0.3718 0.5107 0.3937 ( 3716 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9242 -0.9242 -0.8593 -0.8593 4.5086 4.5086 4.7927 4.7927 5.8270 5.8270 6.3559 6.3559 6.6959 6.6959 7.0895 7.0895 7.2035 7.2035 7.9624 7.9624 8.0386 8.0386 12.7278 12.7278 13.0604 13.0604 17.1154 17.1154 17.2961 17.2961 k = 0.3654 0.5218 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9129 -0.9129 -0.8603 -0.8603 4.5501 4.5501 4.7868 4.7868 5.7643 5.7643 6.4013 6.4013 6.6898 6.6898 7.0614 7.0614 7.1970 7.1970 7.9459 7.9459 7.9936 7.9936 12.7676 12.7676 13.0892 13.0892 17.2436 17.2436 17.4267 17.4267 k = 0.3590 0.5329 0.3937 ( 3716 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9027 -0.9027 -0.8616 -0.8616 4.5867 4.5867 4.7834 4.7834 5.7064 5.7064 6.4472 6.4472 6.6864 6.6864 7.0274 7.0274 7.1918 7.1918 7.9244 7.9244 7.9671 7.9671 12.7999 12.7999 13.1126 13.1126 17.3676 17.3676 17.5485 17.5485 k = 0.3526 0.5440 0.3937 ( 3712 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8938 -0.8938 -0.8630 -0.8630 4.6160 4.6160 4.7832 4.7832 5.6568 5.6568 6.4897 6.4897 6.6870 6.6870 6.9893 6.9893 7.1879 7.1879 7.9041 7.9041 7.9520 7.9520 12.8247 12.8247 13.1309 13.1309 17.4850 17.4850 17.6584 17.6584 k = 0.3462 0.5551 0.3937 ( 3712 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8868 -0.8868 -0.8645 -0.8645 4.6360 4.6360 4.7859 4.7859 5.6188 5.6188 6.5235 6.5235 6.6935 6.6935 6.9510 6.9510 7.1851 7.1851 7.8908 7.8908 7.9416 7.9416 12.8421 12.8421 13.1441 13.1441 17.5920 17.5920 17.7517 17.7517 k = 0.3397 0.5662 0.3937 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8821 -0.8821 -0.8656 -0.8656 4.6467 4.6467 4.7898 4.7898 5.5948 5.5948 6.5440 6.5440 6.7050 6.7050 6.9193 6.9193 7.1835 7.1835 7.8848 7.8848 7.9345 7.9345 12.8522 12.8522 13.1522 13.1522 17.6807 17.6807 17.8194 17.8194 k = 0.3333 0.5774 0.3937 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8805 -0.8805 -0.8660 -0.8660 4.6497 4.6497 4.7917 4.7917 5.5867 5.5867 6.5503 6.5503 6.7120 6.7120 6.9058 6.9058 7.1829 7.1829 7.8837 7.8837 7.9315 7.9315 12.8555 12.8555 13.1550 13.1550 17.7220 17.7220 17.8454 17.8454 k = 0.3333 0.5774 0.3937 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8805 -0.8805 -0.8660 -0.8660 4.6497 4.6497 4.7917 4.7917 5.5867 5.5867 6.5503 6.5503 6.7120 6.7120 6.9058 6.9058 7.1829 7.1829 7.8837 7.8837 7.9315 7.9315 12.8555 12.8555 13.1550 13.1550 17.7220 17.7220 17.8454 17.8454 k = 0.3269 0.5662 0.3937 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8818 -0.8818 -0.8660 -0.8660 4.6474 4.6474 4.7893 4.7893 5.5947 5.5947 6.5451 6.5451 6.7032 6.7032 6.9204 6.9204 7.1836 7.1836 7.8834 7.8834 7.9355 7.9355 12.8524 12.8524 13.1521 13.1521 17.6855 17.6855 17.8154 17.8154 k = 0.3205 0.5551 0.3937 ( 3710 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8850 -0.8850 -0.8669 -0.8669 4.6415 4.6415 4.7818 4.7818 5.6174 5.6174 6.5306 6.5306 6.6825 6.6825 6.9578 6.9578 7.1859 7.1859 7.8812 7.8812 7.9486 7.9486 12.8432 12.8432 13.1434 13.1434 17.6131 17.6131 17.7498 17.7498 k = 0.3141 0.5440 0.3937 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8894 -0.8894 -0.8695 -0.8695 4.6332 4.6332 4.7702 4.7702 5.6525 5.6525 6.5082 6.5082 6.6607 6.6607 7.0062 7.0062 7.1910 7.1910 7.8774 7.8774 7.9697 7.9697 12.8286 12.8286 13.1287 13.1287 17.5306 17.5306 17.6712 17.6712 k = 0.3077 0.5329 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8947 -0.8947 -0.8743 -0.8743 4.6236 4.6236 4.7561 4.7561 5.6966 5.6966 6.4796 6.4796 6.6436 6.6436 7.0563 7.0563 7.2018 7.2018 7.8732 7.8732 7.9973 7.9973 12.8086 12.8086 13.1079 13.1079 17.4444 17.4444 17.5871 17.5871 k = 0.3013 0.5218 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9010 -0.9010 -0.8815 -0.8815 4.6135 4.6135 4.7412 4.7412 5.7466 5.7466 6.4475 6.4475 6.6331 6.6331 7.0990 7.0990 7.2243 7.2243 7.8697 7.8697 8.0302 8.0302 12.7835 12.7835 13.0813 13.0813 17.3568 17.3568 17.5005 17.5005 k = 0.2949 0.5107 0.3937 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9083 -0.9083 -0.8911 -0.8911 4.6036 4.6036 4.7266 4.7266 5.7991 5.7991 6.4145 6.4145 6.6293 6.6293 7.1263 7.1263 7.2648 7.2648 7.8676 7.8676 8.0675 8.0675 12.7534 12.7534 13.0492 13.0492 17.2688 17.2688 17.4127 17.4127 k = 0.2885 0.4996 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1851 -39.1851 -39.0966 -39.0966 -0.9170 -0.9170 -0.9027 -0.9027 4.5947 4.5947 4.7130 4.7130 5.8509 5.8509 6.3830 6.3830 6.6326 6.6326 7.1404 7.1404 7.3202 7.3202 7.8675 7.8675 8.1091 8.1091 12.7179 12.7179 13.0123 13.0123 17.1811 17.1811 17.3249 17.3249 k = 0.2821 0.4885 0.3937 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0966 -39.0966 -0.9286 -0.9286 -0.9151 -0.9151 4.5877 4.5877 4.7010 4.7010 5.8990 5.8990 6.3541 6.3541 6.6438 6.6438 7.1479 7.1479 7.3831 7.3831 7.8701 7.8701 8.1544 8.1544 12.6767 12.6767 12.9716 12.9716 17.0942 17.0942 17.2377 17.2377 k = 0.2756 0.4774 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1851 -39.1851 -39.0966 -39.0966 -0.9447 -0.9447 -0.9266 -0.9266 4.5827 4.5827 4.6911 4.6911 5.9406 5.9406 6.3288 6.3288 6.6638 6.6638 7.1527 7.1527 7.4493 7.4493 7.8764 7.8764 8.2035 8.2035 12.6293 12.6293 12.9282 12.9282 17.0082 17.0082 17.1517 17.1517 k = 0.2692 0.4663 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0966 -39.0966 -0.9651 -0.9651 -0.9373 -0.9373 4.5798 4.5798 4.6841 4.6841 5.9737 5.9737 6.3074 6.3074 6.6928 6.6928 7.1568 7.1568 7.5165 7.5165 7.8873 7.8873 8.2560 8.2560 12.5749 12.5749 12.8834 12.8834 16.9236 16.9236 17.0672 17.0672 k = 0.2628 0.4552 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1850 -39.1850 -39.0966 -39.0966 -0.9890 -0.9890 -0.9481 -0.9481 4.5785 4.5785 4.6809 4.6809 5.9974 5.9974 6.2898 6.2898 6.7302 6.7302 7.1614 7.1614 7.5831 7.5831 7.9041 7.9041 8.3120 8.3120 12.5132 12.5132 12.8383 12.8383 16.8404 16.8404 16.9846 16.9846 k = 0.2564 0.4441 0.3937 ( 3724 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.0158 -1.0158 -0.9593 -0.9593 4.5777 4.5777 4.6829 4.6829 6.0119 6.0119 6.2758 6.2758 6.7736 6.7736 7.1680 7.1680 7.6480 7.6480 7.9282 7.9282 8.3715 8.3715 12.4440 12.4440 12.7937 12.7937 16.7591 16.7591 16.9042 16.9042 k = 0.2500 0.4330 0.3937 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1848 -39.1848 -39.0965 -39.0965 -1.0454 -1.0454 -0.9710 -0.9710 4.5764 4.5764 4.6913 4.6913 6.0187 6.0187 6.2653 6.2653 6.8192 6.8192 7.1781 7.1781 7.7106 7.7106 7.9611 7.9611 8.4345 8.4345 12.3675 12.3675 12.7503 12.7503 16.6797 16.6797 16.8262 16.8262 k = 0.2436 0.4219 0.3937 ( 3734 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1848 -39.1848 -39.0965 -39.0965 -1.0776 -1.0776 -0.9834 -0.9834 4.5742 4.5742 4.7067 4.7067 6.0193 6.0193 6.2577 6.2577 6.8621 6.8621 7.1939 7.1939 7.7711 7.7711 8.0034 8.0034 8.5008 8.5008 12.2840 12.2840 12.7082 12.7082 16.6025 16.6025 16.7507 16.7507 k = 0.2372 0.4108 0.3937 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1847 -39.1847 -39.0965 -39.0965 -1.1120 -1.1120 -0.9964 -0.9964 4.5712 4.5712 4.7290 4.7290 6.0152 6.0152 6.2530 6.2530 6.8978 6.8978 7.2171 7.2171 7.8313 7.8313 8.0547 8.0547 8.5707 8.5707 12.1945 12.1945 12.6673 12.6673 16.5279 16.5279 16.6778 16.6778 k = 0.2308 0.3997 0.3937 ( 3730 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1846 -39.1846 -39.0965 -39.0965 -1.1486 -1.1486 -1.0100 -1.0100 4.5681 4.5681 4.7576 4.7576 6.0077 6.0077 6.2511 6.2511 6.9233 6.9233 7.2479 7.2479 7.8937 7.8937 8.1136 8.1136 8.6441 8.6441 12.0996 12.0996 12.6275 12.6275 16.4560 16.4560 16.6076 16.6076 k = 0.2244 0.3886 0.3937 ( 3726 PWs) bands (ev): -74.7778 -74.7778 -43.6073 -43.6073 -39.1845 -39.1845 -39.0965 -39.0965 -1.1871 -1.1871 -1.0242 -1.0242 4.5653 4.5653 4.7917 4.7917 5.9978 5.9978 6.2520 6.2520 6.9382 6.9382 7.2844 7.2844 7.9610 7.9610 8.1782 8.1782 8.7211 8.7211 12.0002 12.0002 12.5886 12.5886 16.3870 16.3870 16.5400 16.5400 k = 0.2179 0.3775 0.3937 ( 3730 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1844 -39.1844 -39.0965 -39.0965 -1.2273 -1.2273 -1.0389 -1.0389 4.5633 4.5633 4.8306 4.8306 5.9863 5.9863 6.2557 6.2557 6.9444 6.9444 7.3232 7.3232 8.0350 8.0350 8.2471 8.2471 8.8016 8.8016 11.8971 11.8971 12.5505 12.5505 16.3213 16.3213 16.4751 16.4751 k = 0.2115 0.3664 0.3937 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1843 -39.1843 -39.0965 -39.0965 -1.2690 -1.2690 -1.0541 -1.0541 4.5625 4.5625 4.8736 4.8736 5.9739 5.9739 6.2620 6.2620 6.9442 6.9442 7.3616 7.3616 8.1163 8.1163 8.3196 8.3196 8.8858 8.8858 11.7908 11.7908 12.5130 12.5130 16.2590 16.2590 16.4129 16.4129 k = 0.2051 0.3553 0.3937 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6072 -43.6072 -39.1842 -39.1842 -39.0965 -39.0965 -1.3119 -1.3119 -1.0698 -1.0698 4.5632 4.5632 4.9198 4.9198 5.9613 5.9613 6.2708 6.2708 6.9394 6.9394 7.3979 7.3979 8.2034 8.2034 8.3960 8.3960 8.9736 8.9736 11.6823 11.6823 12.4759 12.4759 16.2003 16.2003 16.3533 16.3533 k = 0.1987 0.3442 0.3937 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1841 -39.1841 -39.0965 -39.0965 -1.3558 -1.3558 -1.0859 -1.0859 4.5656 4.5656 4.9684 4.9684 5.9494 5.9494 6.2819 6.2819 6.9314 6.9314 7.4316 7.4316 8.2936 8.2936 8.4777 8.4777 9.0649 9.0649 11.5719 11.5719 12.4392 12.4392 16.1453 16.1453 16.2964 16.2964 k = 0.1923 0.3331 0.3937 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1840 -39.1840 -39.0965 -39.0965 -1.4005 -1.4005 -1.1024 -1.1024 4.5698 4.5698 5.0184 5.0184 5.9390 5.9390 6.2950 6.2950 6.9213 6.9213 7.4630 7.4630 8.3829 8.3829 8.5671 8.5671 9.1597 9.1597 11.4604 11.4604 12.4027 12.4027 16.0940 16.0940 16.2422 16.2422 k = 0.1859 0.3220 0.3937 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6071 -43.6071 -39.1839 -39.1839 -39.0964 -39.0964 -1.4457 -1.4457 -1.1193 -1.1193 4.5760 4.5760 5.0687 5.0687 5.9308 5.9308 6.3100 6.3100 6.9098 6.9098 7.4926 7.4926 8.4671 8.4671 8.6666 8.6666 9.2578 9.2578 11.3483 11.3483 12.3665 12.3665 16.0466 16.0466 16.1908 16.1908 k = 0.1795 0.3109 0.3937 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1838 -39.1838 -39.0964 -39.0964 -1.4912 -1.4912 -1.1363 -1.1363 4.5842 4.5842 5.1179 5.1179 5.9261 5.9261 6.3265 6.3265 6.8974 6.8974 7.5211 7.5211 8.5441 8.5441 8.7765 8.7765 9.3593 9.3593 11.2363 11.2363 12.3304 12.3304 16.0031 16.0031 16.1420 16.1420 k = 0.1731 0.2998 0.3937 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6070 -43.6070 -39.1837 -39.1837 -39.0964 -39.0964 -1.5368 -1.5368 -1.1536 -1.1536 4.5944 4.5944 5.1645 5.1645 5.9258 5.9258 6.3444 6.3444 6.8847 6.8847 7.5493 7.5493 8.6141 8.6141 8.8953 8.8953 9.4638 9.4638 11.1248 11.1248 12.2944 12.2944 15.9632 15.9632 16.0961 16.0961 k = 0.1667 0.2887 0.3937 ( 3732 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1836 -39.1836 -39.0964 -39.0964 -1.5823 -1.5823 -1.1710 -1.1710 4.6068 4.6068 5.2070 5.2070 5.9311 5.9311 6.3634 6.3634 6.8720 6.8720 7.5779 7.5779 8.6781 8.6781 9.0207 9.0207 9.5711 9.5711 11.0146 11.0146 12.2586 12.2586 15.9268 15.9268 16.0532 16.0532 k = 0.1603 0.2776 0.3937 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1835 -39.1835 -39.0964 -39.0964 -1.6276 -1.6276 -1.1885 -1.1885 4.6212 4.6212 5.2439 5.2439 5.9429 5.9429 6.3832 6.3832 6.8597 6.8597 7.6074 7.6074 8.7368 8.7368 9.1504 9.1504 9.6809 9.6809 10.9064 10.9064 12.2230 12.2230 15.8938 15.8938 16.0132 16.0132 k = 0.1538 0.2665 0.3937 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6069 -43.6069 -39.1834 -39.1834 -39.0964 -39.0964 -1.6723 -1.6723 -1.2060 -1.2060 4.6377 4.6377 5.2739 5.2739 5.9619 5.9619 6.4037 6.4037 6.8481 6.8481 7.6386 7.6386 8.7908 8.7908 9.2828 9.2828 9.7925 9.7925 10.8012 10.8012 12.1877 12.1877 15.8635 15.8635 15.9765 15.9765 k = 0.1474 0.2554 0.3937 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6068 -43.6068 -39.1832 -39.1832 -39.0964 -39.0964 -1.7164 -1.7164 -1.2234 -1.2234 4.6562 4.6562 5.2964 5.2964 5.9879 5.9879 6.4250 6.4250 6.8376 6.8376 7.6719 7.6719 8.8401 8.8401 9.4164 9.4164 9.9047 9.9047 10.7007 10.7007 12.1528 12.1528 15.8357 15.8357 15.9430 15.9430 k = 0.1410 0.2443 0.3937 ( 3746 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1831 -39.1831 -39.0964 -39.0964 -1.7597 -1.7597 -1.2406 -1.2406 4.6766 4.6766 5.3116 5.3116 6.0199 6.0199 6.4467 6.4467 6.8286 6.8286 7.7079 7.7079 8.8847 8.8847 9.5500 9.5500 10.0151 10.0151 10.6078 10.6078 12.1186 12.1186 15.8099 15.8099 15.9129 15.9129 k = 0.1346 0.2332 0.3937 ( 3750 PWs) bands (ev): -74.7779 -74.7779 -43.6068 -43.6068 -39.1830 -39.1830 -39.0963 -39.0963 -1.8020 -1.8020 -1.2577 -1.2577 4.6988 4.6988 5.3200 5.3200 6.0564 6.0564 6.4691 6.4691 6.8213 6.8213 7.7470 7.7470 8.9242 8.9242 9.6823 9.6823 10.1169 10.1169 10.5297 10.5297 12.0855 12.0855 15.7855 15.7855 15.8859 15.8859 k = 0.1282 0.2221 0.3937 ( 3748 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1829 -39.1829 -39.0963 -39.0963 -1.8432 -1.8432 -1.2744 -1.2744 4.7227 4.7227 5.3228 5.3228 6.0952 6.0952 6.4923 6.4923 6.8160 6.8160 7.7899 7.7899 8.9584 8.9584 9.8119 9.8119 10.1890 10.1890 10.4878 10.4878 12.0540 12.0540 15.7623 15.7623 15.8619 15.8619 k = 0.1218 0.2110 0.3937 ( 3748 PWs) bands (ev): -74.7779 -74.7779 -43.6067 -43.6067 -39.1828 -39.1828 -39.0963 -39.0963 -1.8831 -1.8831 -1.2909 -1.2909 4.7481 4.7481 5.3210 5.3210 6.1341 6.1341 6.5166 6.5166 6.8129 6.8129 7.8368 7.8368 8.9868 8.9868 9.9372 9.9372 10.1961 10.1961 10.5186 10.5186 12.0249 12.0249 15.7401 15.7401 15.8403 15.8403 k = 0.1154 0.1999 0.3937 ( 3756 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1827 -39.1827 -39.0963 -39.0963 -1.9217 -1.9217 -1.3069 -1.3069 4.7748 4.7748 5.3158 5.3158 6.1710 6.1710 6.5423 6.5423 6.8119 6.8119 7.8881 7.8881 9.0088 9.0088 10.0542 10.0542 10.1542 10.1542 10.6085 10.6085 11.9992 11.9992 15.7188 15.7188 15.8207 15.8207 k = 0.1090 0.1887 0.3937 ( 3762 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1826 -39.1826 -39.0963 -39.0963 -1.9588 -1.9588 -1.3224 -1.3224 4.8027 4.8027 5.3080 5.3080 6.2041 6.2041 6.5696 6.5696 6.8132 6.8132 7.9441 7.9441 9.0240 9.0240 10.0838 10.0838 10.1773 10.1773 10.7213 10.7213 11.9783 11.9783 15.6981 15.6981 15.8026 15.8026 k = 0.1026 0.1776 0.3937 ( 3764 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1824 -39.1824 -39.0963 -39.0963 -1.9942 -1.9942 -1.3374 -1.3374 4.8315 4.8315 5.2985 5.2985 6.2321 6.2321 6.5986 6.5986 6.8167 6.8167 8.0046 8.0046 9.0321 9.0321 10.0277 10.0277 10.2765 10.2765 10.8424 10.8424 11.9639 11.9639 15.6775 15.6775 15.7862 15.7862 k = 0.0962 0.1665 0.3937 ( 3772 PWs) bands (ev): -74.7779 -74.7779 -43.6066 -43.6066 -39.1823 -39.1823 -39.0963 -39.0963 -2.0280 -2.0280 -1.3518 -1.3518 4.8610 4.8610 5.2878 5.2878 6.2547 6.2547 6.6290 6.6290 6.8219 6.8219 8.0695 8.0695 9.0331 9.0331 9.9742 9.9742 10.3658 10.3658 10.9667 10.9667 11.9580 11.9580 15.6565 15.6565 15.7720 15.7720 k = 0.0897 0.1554 0.3937 ( 3768 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1822 -39.1822 -39.0963 -39.0963 -2.0600 -2.0600 -1.3656 -1.3656 4.8910 4.8910 5.2765 5.2765 6.2720 6.2720 6.6604 6.6604 6.8287 6.8287 8.1381 8.1381 9.0277 9.0277 9.9278 9.9278 10.4400 10.4400 11.0921 11.0921 11.9626 11.9626 15.6340 15.6340 15.7608 15.7608 k = 0.0833 0.1443 0.3937 ( 3776 PWs) bands (ev): -74.7779 -74.7779 -43.6065 -43.6065 -39.1821 -39.1821 -39.0963 -39.0963 -2.0901 -2.0901 -1.3786 -1.3786 4.9211 4.9211 5.2649 5.2649 6.2844 6.2844 6.6919 6.6919 6.8365 6.8365 8.2093 8.2093 9.0172 9.0172 9.8894 9.8894 10.4964 10.4964 11.2173 11.2173 11.9796 11.9796 15.6092 15.6092 15.7537 15.7537 k = 0.0769 0.1332 0.3937 ( 3780 PWs) bands (ev): -74.7780 -74.7780 -43.6065 -43.6065 -39.1821 -39.1821 -39.0962 -39.0962 -2.1183 -2.1183 -1.3909 -1.3909 4.9510 4.9510 5.2533 5.2533 6.2928 6.2928 6.7229 6.7229 6.8451 6.8451 8.2813 8.2813 9.0042 9.0042 9.8588 9.8588 10.5330 10.5330 11.3415 11.3415 12.0097 12.0097 15.5815 15.5815 15.7515 15.7515 k = 0.0705 0.1221 0.3937 ( 3772 PWs) bands (ev): -74.7779 -74.7779 -43.6064 -43.6064 -39.1820 -39.1820 -39.0962 -39.0962 -2.1444 -2.1444 -1.4024 -1.4024 4.9804 4.9804 5.2422 5.2422 6.2982 6.2982 6.7526 6.7526 6.8541 6.8541 8.3514 8.3514 8.9924 8.9924 9.8352 9.8352 10.5493 10.5493 11.4635 11.4635 12.0528 12.0528 15.5508 15.5508 15.7545 15.7545 k = 0.0641 0.1110 0.3937 ( 3776 PWs) bands (ev): -74.7780 -74.7780 -43.6064 -43.6064 -39.1819 -39.1819 -39.0962 -39.0962 -2.1685 -2.1685 -1.4131 -1.4131 5.0090 5.0090 5.2314 5.2314 6.3011 6.3011 6.7804 6.7804 6.8632 6.8632 8.4152 8.4152 8.9871 8.9871 9.8175 9.8175 10.5462 10.5462 11.5823 11.5823 12.1074 12.1074 15.5170 15.5170 15.7626 15.7626 k = 0.0577 0.0999 0.3937 ( 3776 PWs) bands (ev): -74.7780 -74.7780 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -2.1905 -2.1905 -1.4228 -1.4228 5.0363 5.0363 5.2214 5.2214 6.3023 6.3023 6.8061 6.8061 6.8721 6.8721 8.4673 8.4673 8.9950 8.9950 9.8043 9.8043 10.5256 10.5256 11.6965 11.6965 12.1710 12.1710 15.4801 15.4801 15.7756 15.7756 k = 0.0513 0.0888 0.3937 ( 3768 PWs) bands (ev): -74.7780 -74.7780 -43.6064 -43.6064 -39.1818 -39.1818 -39.0962 -39.0962 -2.2102 -2.2102 -1.4317 -1.4317 5.0621 5.0621 5.2122 5.2122 6.3022 6.3022 6.8292 6.8292 6.8808 6.8808 8.5027 8.5027 9.0220 9.0220 9.7945 9.7945 10.4900 10.4900 11.8047 11.8047 12.2408 12.2408 15.4401 15.4401 15.7929 15.7929 k = 0.0449 0.0777 0.3937 ( 3764 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1817 -39.1817 -39.0962 -39.0962 -2.2278 -2.2278 -1.4395 -1.4395 5.0858 5.0858 5.2039 5.2039 6.3015 6.3015 6.8496 6.8496 6.8891 6.8891 8.5199 8.5199 9.0702 9.0702 9.7869 9.7869 10.4423 10.4423 11.9049 11.9049 12.3139 12.3139 15.3971 15.3971 15.8136 15.8136 k = 0.0385 0.0666 0.3937 ( 3768 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2430 -2.2430 -1.4464 -1.4464 5.1072 5.1072 5.1967 5.1967 6.3002 6.3002 6.8668 6.8668 6.8969 6.8969 8.5223 8.5223 9.1363 9.1363 9.7803 9.7803 10.3851 10.3851 11.9952 11.9952 12.3875 12.3875 15.3515 15.3515 15.8360 15.8360 k = 0.0321 0.0555 0.3937 ( 3768 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2560 -2.2560 -1.4523 -1.4523 5.1256 5.1256 5.1908 5.1908 6.2987 6.2987 6.8806 6.8806 6.9047 6.9047 8.5155 8.5155 9.2147 9.2147 9.7736 9.7736 10.3217 10.3217 12.0739 12.0739 12.4586 12.4586 15.3045 15.3045 15.8580 15.8580 k = 0.0256 0.0444 0.3937 ( 3768 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1816 -39.1816 -39.0962 -39.0962 -2.2667 -2.2667 -1.4571 -1.4571 5.1407 5.1407 5.1864 5.1864 6.2973 6.2973 6.8908 6.8908 6.9123 6.9123 8.5047 8.5047 9.2996 9.2996 9.7653 9.7653 10.2554 10.2554 12.1396 12.1396 12.5240 12.5240 15.2583 15.2583 15.8759 15.8759 k = 0.0192 0.0333 0.3937 ( 3764 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2750 -2.2750 -1.4609 -1.4609 5.1519 5.1519 5.1839 5.1839 6.2961 6.2961 6.8977 6.8977 6.9194 6.9194 8.4933 8.4933 9.3859 9.3859 9.7535 9.7535 10.1909 10.1909 12.1914 12.1914 12.5803 12.5803 15.2162 15.2162 15.8855 15.8855 k = 0.0128 0.0222 0.3937 ( 3764 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2809 -2.2809 -1.4636 -1.4636 5.1586 5.1586 5.1835 5.1835 6.2951 6.2951 6.9021 6.9021 6.9250 6.9250 8.4839 8.4839 9.4680 9.4680 9.7355 9.7355 10.1347 10.1347 12.2286 12.2286 12.6237 12.6237 15.1820 15.1820 15.8856 15.8856 k = 0.0064 0.0111 0.3937 ( 3772 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2845 -2.2845 -1.4652 -1.4652 5.1615 5.1615 5.1844 5.1844 6.2945 6.2945 6.9045 6.9045 6.9286 6.9286 8.4777 8.4777 9.5369 9.5369 9.7110 9.7110 10.0953 10.0953 12.2510 12.2510 12.6513 12.6513 15.1597 15.1597 15.8812 15.8812 k = 0.0000 0.0000 0.3937 ( 3780 PWs) bands (ev): -74.7780 -74.7780 -43.6063 -43.6063 -39.1815 -39.1815 -39.0962 -39.0962 -2.2857 -2.2857 -1.4657 -1.4657 5.1622 5.1622 5.1849 5.1849 6.2943 6.2943 6.9053 6.9053 6.9297 6.9297 8.4755 8.4755 9.5692 9.5692 9.6948 9.6948 10.0810 10.0810 12.2585 12.2585 12.6607 12.6607 15.1519 15.1519 15.8789 15.8789 k = 0.5000 0.2887 0.3937 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1100 -1.1100 -0.8633 -0.8633 3.9330 3.9330 5.0524 5.0524 5.5170 5.5170 6.5612 6.5612 7.0792 7.0792 7.2140 7.2140 7.6213 7.6213 8.2345 8.2345 10.2550 10.2550 10.9565 10.9565 11.8804 11.8804 15.3617 15.3617 15.7727 15.7727 k = 0.5000 0.2887 0.3810 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1111 -1.1111 -0.8629 -0.8629 3.9343 3.9343 5.0547 5.0547 5.5175 5.5175 6.5618 6.5618 7.0792 7.0792 7.2140 7.2140 7.6211 7.6211 8.2315 8.2315 10.2478 10.2478 10.9614 10.9614 11.8843 11.8843 15.3567 15.3567 15.7541 15.7541 k = 0.5000 0.2887 0.3683 ( 3752 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1142 -1.1142 -0.8616 -0.8616 3.9382 3.9382 5.0615 5.0615 5.5188 5.5188 6.5635 6.5635 7.0789 7.0789 7.2138 7.2138 7.6203 7.6203 8.2227 8.2227 10.2267 10.2267 10.9757 10.9757 11.8956 11.8956 15.3414 15.3414 15.7015 15.7015 k = 0.5000 0.2887 0.3556 ( 3748 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1192 -1.1192 -0.8597 -0.8597 3.9446 3.9446 5.0729 5.0729 5.5212 5.5212 6.5664 6.5664 7.0786 7.0786 7.2138 7.2138 7.6192 7.6192 8.2083 8.2083 10.1924 10.1924 10.9992 10.9992 11.9131 11.9131 15.3159 15.3159 15.6237 15.6237 k = 0.5000 0.2887 0.3429 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1259 -1.1259 -0.8571 -0.8571 3.9535 3.9535 5.0886 5.0886 5.5246 5.5246 6.5706 6.5706 7.0782 7.0782 7.2137 7.2137 7.6177 7.6177 8.1886 8.1886 10.1462 10.1462 11.0315 11.0315 11.9354 11.9354 15.2794 15.2794 15.5314 15.5314 k = 0.5000 0.2887 0.3302 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1342 -1.1342 -0.8541 -0.8541 3.9650 3.9650 5.1085 5.1085 5.5289 5.5289 6.5760 6.5760 7.0776 7.0776 7.2136 7.2136 7.6155 7.6155 8.1641 8.1641 10.0898 10.0898 11.0718 11.0718 11.9603 11.9603 15.2302 15.2302 15.4360 15.4360 k = 0.5000 0.2887 0.3175 ( 3736 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1438 -1.1438 -0.8509 -0.8509 3.9789 3.9789 5.1325 5.1325 5.5340 5.5340 6.5828 6.5828 7.0769 7.0769 7.2135 7.2135 7.6129 7.6129 8.1354 8.1354 10.0245 10.0245 11.1194 11.1194 11.9856 11.9856 15.1655 15.1655 15.3482 15.3482 k = 0.5000 0.2887 0.3048 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1545 -1.1545 -0.8476 -0.8476 3.9952 3.9952 5.1602 5.1602 5.5401 5.5401 6.5909 6.5909 7.0760 7.0760 7.2133 7.2133 7.6097 7.6097 8.1032 8.1032 9.9518 9.9518 11.1736 11.1736 12.0091 12.0091 15.0858 15.0858 15.2741 15.2741 k = 0.5000 0.2887 0.2921 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1661 -1.1661 -0.8443 -0.8443 4.0139 4.0139 5.1915 5.1915 5.5471 5.5471 6.6004 6.6004 7.0751 7.0751 7.2131 7.2131 7.6059 7.6059 8.0679 8.0679 9.8729 9.8729 11.2333 11.2333 12.0286 12.0286 14.9984 14.9984 15.2120 15.2120 k = 0.5000 0.2887 0.2794 ( 3752 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1783 -1.1783 -0.8412 -0.8412 4.0348 4.0348 5.2261 5.2261 5.5549 5.5549 6.6115 6.6115 7.0741 7.0741 7.2130 7.2130 7.6015 7.6015 8.0305 8.0305 9.7890 9.7890 11.2977 11.2977 12.0420 12.0420 14.9123 14.9123 15.1577 15.1577 k = 0.5000 0.2887 0.2667 ( 3752 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.1910 -1.1910 -0.8383 -0.8383 4.0579 4.0579 5.2635 5.2635 5.5635 5.5635 6.6241 6.6241 7.0730 7.0730 7.2130 7.2130 7.5963 7.5963 7.9914 7.9914 9.7010 9.7010 11.3653 11.3653 12.0479 12.0479 14.8338 14.8338 15.1089 15.1089 k = 0.5000 0.2887 0.2540 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2040 -1.2040 -0.8358 -0.8358 4.0829 4.0829 5.3035 5.3035 5.5730 5.5730 6.6383 6.6383 7.0718 7.0718 7.2132 7.2132 7.5903 7.5903 7.9515 7.9515 9.6099 9.6099 11.4345 11.4345 12.0457 12.0457 14.7662 14.7662 15.0656 15.0656 k = 0.5000 0.2887 0.2413 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2172 -1.2172 -0.8335 -0.8335 4.1097 4.1097 5.3457 5.3457 5.5832 5.5832 6.6541 6.6541 7.0706 7.0706 7.2134 7.2134 7.5833 7.5833 7.9115 7.9115 9.5165 9.5165 11.5022 11.5022 12.0363 12.0363 14.7108 14.7108 15.0288 15.0288 k = 0.5000 0.2887 0.2286 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2305 -1.2305 -0.8316 -0.8316 4.1381 4.1381 5.3895 5.3895 5.5941 5.5941 6.6715 6.6715 7.0692 7.0692 7.2138 7.2138 7.5750 7.5750 7.8721 7.8721 9.4213 9.4213 11.5637 11.5637 12.0237 12.0237 14.6672 14.6672 15.0007 15.0007 k = 0.5000 0.2887 0.2159 ( 3744 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2436 -1.2436 -0.8301 -0.8301 4.1679 4.1679 5.4347 5.4347 5.6059 5.6059 6.6904 6.6904 7.0677 7.0677 7.2145 7.2145 7.5654 7.5654 7.8341 7.8341 9.3252 9.3252 11.6102 11.6102 12.0161 12.0161 14.6331 14.6331 14.9841 14.9841 k = 0.5000 0.2887 0.2032 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2565 -1.2565 -0.8290 -0.8290 4.1988 4.1988 5.4805 5.4805 5.6187 5.6187 6.7105 6.7105 7.0660 7.0660 7.2154 7.2154 7.5541 7.5541 7.7983 7.7983 9.2286 9.2286 11.6295 11.6295 12.0263 12.0263 14.6051 14.6051 14.9823 14.9823 k = 0.5000 0.2887 0.1905 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2691 -1.2691 -0.8282 -0.8282 4.2304 4.2304 5.5261 5.5261 5.6328 5.6328 6.7318 6.7318 7.0642 7.0642 7.2168 7.2168 7.5410 7.5410 7.7656 7.7656 9.1323 9.1323 11.6138 11.6138 12.0627 12.0627 14.5798 14.5798 14.9978 14.9978 k = 0.5000 0.2887 0.1778 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2813 -1.2813 -0.8277 -0.8277 4.2626 4.2626 5.5699 5.5699 5.6495 5.6495 6.7536 6.7536 7.0621 7.0621 7.2188 7.2188 7.5261 7.5261 7.7367 7.7367 9.0368 9.0368 11.5682 11.5682 12.1219 12.1219 14.5550 14.5550 15.0318 15.0318 k = 0.5000 0.2887 0.1651 ( 3746 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.2930 -1.2930 -0.8275 -0.8275 4.2949 4.2949 5.6085 5.6085 5.6715 5.6715 6.7755 6.7755 7.0597 7.0597 7.2213 7.2213 7.5095 7.5095 7.7120 7.7120 8.9427 8.9427 11.5028 11.5028 12.1948 12.1948 14.5297 14.5297 15.0836 15.0836 k = 0.5000 0.2887 0.1524 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3041 -1.3041 -0.8275 -0.8275 4.3269 4.3269 5.6375 5.6375 5.7031 5.7031 6.7967 6.7967 7.0569 7.0569 7.2246 7.2246 7.4922 7.4922 7.6917 7.6917 8.8504 8.8504 11.4260 11.4260 12.2749 12.2749 14.5040 14.5040 15.1517 15.1517 k = 0.5000 0.2887 0.1397 ( 3740 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3146 -1.3146 -0.8278 -0.8278 4.3583 4.3583 5.6577 5.6577 5.7428 5.7428 6.8163 6.8163 7.0536 7.0536 7.2287 7.2287 7.4750 7.4750 7.6757 7.6757 8.7606 8.7606 11.3429 11.3429 12.3580 12.3580 14.4785 14.4785 15.2340 15.2340 k = 0.5000 0.2887 0.1270 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3244 -1.3244 -0.8281 -0.8281 4.3887 4.3887 5.6733 5.6733 5.7859 5.7859 6.8331 6.8331 7.0500 7.0500 7.2336 7.2336 7.4592 7.4592 7.6639 7.6639 8.6739 8.6739 11.2575 11.2575 12.4415 12.4415 14.4538 14.4538 15.3285 15.3285 k = 0.5000 0.2887 0.1143 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3334 -1.3334 -0.8287 -0.8287 4.4177 4.4177 5.6867 5.6867 5.8297 5.8297 6.8462 6.8462 7.0463 7.0463 7.2391 7.2391 7.4456 7.4456 7.6564 7.6564 8.5906 8.5906 11.1724 11.1724 12.5236 12.5236 14.4306 14.4306 15.4334 15.4334 k = 0.5000 0.2887 0.1016 ( 3728 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3416 -1.3416 -0.8292 -0.8292 4.4449 4.4449 5.6987 5.6987 5.8726 5.8726 6.8545 6.8545 7.0429 7.0429 7.2448 7.2448 7.4350 7.4350 7.6532 7.6532 8.5114 8.5114 11.0901 11.0901 12.6026 12.6026 14.4091 14.4091 15.5472 15.5472 k = 0.5000 0.2887 0.0889 ( 3732 PWs) bands (ev): -74.7777 -74.7777 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3490 -1.3490 -0.8299 -0.8299 4.4699 4.4699 5.7095 5.7095 5.9139 5.9139 6.8577 6.8577 7.0401 7.0401 7.2503 7.2503 7.4273 7.4273 7.6548 7.6548 8.4367 8.4367 11.0125 11.0125 12.6770 12.6770 14.3897 14.3897 15.6683 15.6683 k = 0.5000 0.2887 0.0762 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3554 -1.3554 -0.8305 -0.8305 4.4923 4.4923 5.7191 5.7191 5.9527 5.9527 6.8557 6.8557 7.0383 7.0383 7.2553 7.2553 7.4219 7.4219 7.6614 7.6614 8.3672 8.3672 10.9414 10.9414 12.7454 12.7454 14.3726 14.3726 15.7954 15.7954 k = 0.5000 0.2887 0.0635 ( 3734 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3609 -1.3609 -0.8311 -0.8311 4.5119 4.5119 5.7275 5.7275 5.9883 5.9883 6.8497 6.8497 7.0375 7.0375 7.2596 7.2596 7.4181 7.4181 7.6731 7.6731 8.3036 8.3036 10.8783 10.8783 12.8064 12.8064 14.3580 14.3580 15.9270 15.9270 k = 0.5000 0.2887 0.0508 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3654 -1.3654 -0.8316 -0.8316 4.5283 4.5283 5.7346 5.7346 6.0196 6.0196 6.8410 6.8410 7.0375 7.0375 7.2632 7.2632 7.4149 7.4149 7.6888 7.6888 8.2469 8.2469 10.8246 10.8246 12.8587 12.8587 14.3459 14.3459 16.0610 16.0610 k = 0.5000 0.2887 0.0381 ( 3730 PWs) bands (ev): -74.7777 -74.7777 -43.6073 -43.6073 -39.1849 -39.1849 -39.0965 -39.0965 -1.3690 -1.3690 -0.8320 -0.8320 4.5414 4.5414 5.7402 5.7402 6.0457 6.0457 6.8317 6.8317 7.0379 7.0379 7.2660 7.2660 7.4121 7.4121 7.7067 7.7067 8.1984 8.1984 10.7815 10.7815 12.9009 12.9009 14.3365 14.3365 16.1939 16.1939 k = 0.5000 0.2887 0.0254 ( 3738 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3715 -1.3715 -0.8323 -0.8323 4.5508 4.5508 5.7442 5.7442 6.0653 6.0653 6.8234 6.8234 7.0384 7.0384 7.2681 7.2681 7.4097 7.4097 7.7238 7.7238 8.1602 8.1602 10.7499 10.7499 12.9319 12.9319 14.3297 14.3297 16.3188 16.3188 k = 0.5000 0.2887 0.0127 ( 3736 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3731 -1.3731 -0.8325 -0.8325 4.5565 4.5565 5.7467 5.7467 6.0776 6.0776 6.8177 6.8177 7.0388 7.0388 7.2694 7.2694 7.4081 7.4081 7.7365 7.7365 8.1353 8.1353 10.7307 10.7307 12.9510 12.9510 14.3256 14.3256 16.4190 16.4190 k = 0.5000 0.2887-0.0000 ( 3742 PWs) bands (ev): -74.7778 -74.7778 -43.6074 -43.6074 -39.1849 -39.1849 -39.0965 -39.0965 -1.3736 -1.3736 -0.8326 -0.8326 4.5584 4.5584 5.7475 5.7475 6.0817 6.0817 6.8157 6.8157 7.0389 7.0389 7.2698 7.2698 7.4075 7.4075 7.7412 7.7412 8.1265 8.1265 10.7242 10.7242 12.9574 12.9574 14.3242 14.3242 16.4608 16.4608 k = 0.3333 0.5774-0.0000 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9797 -0.9797 -0.9679 -0.9679 4.6943 4.6943 5.3423 5.3423 5.4652 5.4652 6.3002 6.3002 6.5420 6.5420 7.0390 7.0390 8.6768 8.6768 8.6839 8.6839 9.0318 9.0318 10.1942 10.1942 10.3045 10.3045 14.5240 14.5240 17.2815 17.2815 k = 0.3333 0.5774 0.0127 ( 3717 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9795 -0.9795 -0.9676 -0.9676 4.6957 4.6957 5.3401 5.3401 5.4632 5.4632 6.3013 6.3013 6.5427 6.5427 7.0392 7.0392 8.6719 8.6719 8.6794 8.6794 9.0256 9.0256 10.2030 10.2030 10.3140 10.3140 14.5318 14.5318 17.2824 17.2824 k = 0.3333 0.5774 0.0254 ( 3717 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9787 -0.9787 -0.9669 -0.9669 4.6997 4.6997 5.3333 5.3333 5.4574 5.4574 6.3044 6.3044 6.5448 6.5448 7.0396 7.0396 8.6574 8.6574 8.6660 8.6660 9.0075 9.0075 10.2289 10.2289 10.3418 10.3418 14.5551 14.5551 17.2850 17.2850 k = 0.3333 0.5774 0.0381 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9775 -0.9775 -0.9656 -0.9656 4.7065 4.7065 5.3222 5.3222 5.4477 5.4477 6.3096 6.3096 6.5481 6.5481 7.0401 7.0401 8.6344 8.6344 8.6445 8.6445 8.9781 8.9781 10.2709 10.2709 10.3868 10.3868 14.5934 14.5934 17.2894 17.2894 k = 0.3333 0.5774 0.0508 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9758 -0.9758 -0.9639 -0.9639 4.7160 4.7160 5.3071 5.3071 5.4345 5.4345 6.3166 6.3166 6.5527 6.5527 7.0411 7.0411 8.6044 8.6044 8.6161 8.6161 8.9386 8.9386 10.3273 10.3273 10.4470 10.4470 14.6465 14.6465 17.2955 17.2955 k = 0.3333 0.5774 0.0635 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9737 -0.9737 -0.9617 -0.9617 4.7281 4.7281 5.2882 5.2882 5.4179 5.4179 6.3251 6.3251 6.5582 6.5582 7.0422 7.0422 8.5689 8.5689 8.5819 8.5819 8.8901 8.8901 10.3965 10.3965 10.5206 10.5206 14.7136 14.7136 17.3035 17.3035 k = 0.3333 0.5774 0.0762 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9712 -0.9712 -0.9591 -0.9591 4.7429 4.7429 5.2658 5.2658 5.3982 5.3982 6.3350 6.3350 6.5647 6.5647 7.0436 7.0436 8.5295 8.5295 8.5432 8.5432 8.8337 8.8337 10.4767 10.4767 10.6055 10.6055 14.7939 14.7939 17.3132 17.3132 k = 0.3333 0.5774 0.0889 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9682 -0.9682 -0.9561 -0.9561 4.7601 4.7601 5.2405 5.2405 5.3759 5.3759 6.3460 6.3460 6.5720 6.5720 7.0451 7.0451 8.4876 8.4876 8.5013 8.5013 8.7708 8.7708 10.5662 10.5662 10.7001 10.7001 14.8866 14.8866 17.3247 17.3247 k = 0.3333 0.5774 0.1016 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9648 -0.9648 -0.9526 -0.9526 4.7799 4.7799 5.2126 5.2126 5.3512 5.3512 6.3578 6.3578 6.5799 6.5799 7.0469 7.0469 8.4442 8.4442 8.4569 8.4569 8.7024 8.7024 10.6637 10.6637 10.8029 10.8029 14.9909 14.9909 17.3380 17.3380 k = 0.3333 0.5774 0.1143 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9611 -0.9611 -0.9488 -0.9488 4.8020 4.8020 5.1826 5.1826 5.3247 5.3247 6.3702 6.3702 6.5881 6.5881 7.0488 7.0488 8.4005 8.4005 8.4105 8.4105 8.6298 8.6298 10.7678 10.7678 10.9127 10.9127 15.1057 15.1057 17.3531 17.3531 k = 0.3333 0.5774 0.1270 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9571 -0.9571 -0.9447 -0.9447 4.8263 4.8263 5.1509 5.1509 5.2968 5.2968 6.3830 6.3830 6.5967 6.5967 7.0509 7.0509 8.3570 8.3570 8.3623 8.3623 8.5546 8.5546 10.8775 10.8775 11.0282 11.0282 15.2301 15.2301 17.3701 17.3701 k = 0.3333 0.5774 0.1397 ( 3726 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9528 -0.9528 -0.9403 -0.9403 4.8525 4.8525 5.1178 5.1178 5.2680 5.2680 6.3959 6.3959 6.6053 6.6053 7.0530 7.0530 8.3113 8.3113 8.3144 8.3144 8.4791 8.4791 10.9917 10.9917 11.1485 11.1485 15.3632 15.3632 17.3889 17.3889 k = 0.3333 0.5774 0.1524 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9483 -0.9483 -0.9357 -0.9357 4.8803 4.8803 5.0838 5.0838 5.2389 5.2389 6.4088 6.4088 6.6140 6.6140 7.0551 7.0551 8.2558 8.2558 8.2731 8.2731 8.4062 8.4062 11.1097 11.1097 11.2728 11.2728 15.5039 15.5039 17.4096 17.4096 k = 0.3333 0.5774 0.1651 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9436 -0.9436 -0.9308 -0.9308 4.9091 4.9091 5.0493 5.0493 5.2106 5.2106 6.4216 6.4216 6.6227 6.6227 7.0573 7.0573 8.1930 8.1930 8.2334 8.2334 8.3399 8.3399 11.2305 11.2305 11.4003 11.4003 15.6515 15.6515 17.4323 17.4323 k = 0.3333 0.5774 0.1778 ( 3729 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9387 -0.9387 -0.9258 -0.9258 4.9376 4.9376 5.0145 5.0145 5.1843 5.1843 6.4342 6.4342 6.6311 6.6311 7.0595 7.0595 8.1212 8.1212 8.1955 8.1955 8.2827 8.2827 11.3534 11.3534 11.5301 11.5301 15.8048 15.8048 17.4570 17.4570 k = 0.3333 0.5774 0.1905 ( 3723 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9337 -0.9337 -0.9207 -0.9207 4.9636 4.9636 4.9799 4.9799 5.1627 5.1627 6.4465 6.4465 6.6394 6.6394 7.0615 7.0615 8.0418 8.0418 8.1596 8.1596 8.2342 8.2342 11.4776 11.4776 11.6615 11.6615 15.9629 15.9629 17.4837 17.4837 k = 0.3333 0.5774 0.2032 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9287 -0.9287 -0.9155 -0.9155 4.9458 4.9458 4.9825 4.9825 5.1505 5.1505 6.4582 6.4582 6.6473 6.6473 7.0635 7.0635 7.9575 7.9575 8.1258 8.1258 8.1925 8.1925 11.6023 11.6023 11.7938 11.7938 16.1246 16.1246 17.5126 17.5126 k = 0.3333 0.5774 0.2159 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9237 -0.9237 -0.9104 -0.9104 4.9124 4.9124 4.9884 4.9884 5.1535 5.1535 6.4695 6.4695 6.6549 6.6549 7.0649 7.0649 7.8708 7.8708 8.0942 8.0942 8.1557 8.1557 11.7267 11.7267 11.9261 11.9261 16.2888 16.2888 17.5437 17.5437 k = 0.3333 0.5774 0.2286 ( 3705 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.9187 -0.9187 -0.9053 -0.9053 4.8801 4.8801 4.9804 4.9804 5.1730 5.1730 6.4801 6.4801 6.6620 6.6620 7.0658 7.0658 7.7836 7.7836 8.0648 8.0648 8.1228 8.1228 11.8500 11.8500 12.0576 12.0576 16.4541 16.4541 17.5772 17.5772 k = 0.3333 0.5774 0.2413 ( 3717 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9139 -0.9139 -0.9003 -0.9003 4.8490 4.8490 4.9633 4.9633 5.2039 5.2039 6.4901 6.4901 6.6687 6.6687 7.0661 7.0661 7.6974 7.6974 8.0376 8.0376 8.0931 8.0931 11.9712 11.9712 12.1874 12.1874 16.6187 16.6187 17.6134 17.6134 k = 0.3333 0.5774 0.2540 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9092 -0.9092 -0.8955 -0.8955 4.8195 4.8195 4.9422 4.9422 5.2412 5.2412 6.4995 6.4995 6.6749 6.6749 7.0653 7.0653 7.6133 7.6133 8.0127 8.0127 8.0663 8.0663 12.0894 12.0894 12.3144 12.3144 16.7806 16.7806 17.6525 17.6525 k = 0.3333 0.5774 0.2667 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9047 -0.9047 -0.8909 -0.8909 4.7918 4.7918 4.9200 4.9200 5.2819 5.2819 6.5081 6.5081 6.6807 6.6807 7.0631 7.0631 7.5326 7.5326 7.9900 7.9900 8.0423 8.0423 12.2036 12.2036 12.4376 12.4376 16.9373 16.9373 17.6948 17.6948 k = 0.3333 0.5774 0.2794 ( 3735 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.9005 -0.9005 -0.8865 -0.8865 4.7661 4.7661 4.8981 4.8981 5.3242 5.3242 6.5159 6.5159 6.6859 6.6859 7.0588 7.0588 7.4567 7.4567 7.9695 7.9695 8.0207 8.0207 12.3125 12.3125 12.5557 12.5557 17.0858 17.0858 17.7406 17.7406 k = 0.3333 0.5774 0.2921 ( 3726 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1853 -39.1853 -39.0966 -39.0966 -0.8965 -0.8965 -0.8825 -0.8825 4.7426 4.7426 4.8774 4.8774 5.3669 5.3669 6.5230 6.5230 6.6908 6.6908 7.0516 7.0516 7.3876 7.3876 7.9514 7.9514 8.0017 8.0017 12.4152 12.4152 12.6674 12.6674 17.2224 17.2224 17.7902 17.7902 k = 0.3333 0.5774 0.3048 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8930 -0.8930 -0.8788 -0.8788 4.7215 4.7215 4.8583 4.8583 5.4089 5.4089 6.5294 6.5294 6.6953 6.6953 7.0399 7.0399 7.3272 7.3272 7.9354 7.9354 7.9851 7.9851 12.5102 12.5102 12.7715 12.7715 17.3437 17.3437 17.8426 17.8427 k = 0.3333 0.5774 0.3175 ( 3720 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8898 -0.8898 -0.8755 -0.8755 4.7028 4.7028 4.8412 4.8412 5.4492 5.4492 6.5349 6.5349 6.6992 6.6992 7.0228 7.0228 7.2778 7.2778 7.9216 7.9216 7.9707 7.9707 12.5962 12.5962 12.8661 12.8661 17.4471 17.4471 17.8959 17.8959 k = 0.3333 0.5774 0.3302 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8870 -0.8870 -0.8727 -0.8727 4.6868 4.6868 4.8265 4.8265 5.4867 5.4867 6.5396 6.5396 6.7027 6.7027 7.0001 7.0001 7.2408 7.2408 7.9100 7.9100 7.9586 7.9586 12.6719 12.6719 12.9499 12.9499 17.5321 17.5321 17.9452 17.9452 k = 0.3333 0.5774 0.3429 ( 3714 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8847 -0.8847 -0.8703 -0.8703 4.6736 4.6736 4.8141 4.8141 5.5200 5.5200 6.5434 6.5434 6.7057 6.7057 6.9737 6.9737 7.2153 7.2153 7.9005 7.9005 7.9488 7.9488 12.7361 12.7361 13.0212 13.0212 17.5996 17.5996 17.9592 17.9592 k = 0.3333 0.5774 0.3556 ( 3708 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8829 -0.8829 -0.8685 -0.8685 4.6632 4.6632 4.8044 4.8044 5.5479 5.5479 6.5464 6.5464 6.7082 6.7082 6.9475 6.9475 7.1992 7.1992 7.8931 7.8931 7.9412 7.9412 12.7874 12.7874 13.0786 13.0786 17.6517 17.6517 17.9151 17.9151 k = 0.3333 0.5774 0.3683 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8816 -0.8816 -0.8671 -0.8671 4.6557 4.6557 4.7974 4.7974 5.5690 5.5690 6.5486 6.5486 6.7102 6.7102 6.9255 6.9255 7.1896 7.1896 7.8879 7.8879 7.9358 7.9358 12.8250 12.8250 13.1206 13.1206 17.6896 17.6896 17.8782 17.8782 k = 0.3333 0.5774 0.3810 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8808 -0.8808 -0.8663 -0.8663 4.6512 4.6512 4.7931 4.7931 5.5822 5.5822 6.5499 6.5499 6.7115 6.7115 6.9109 6.9109 7.1845 7.1845 7.8847 7.8847 7.9325 7.9325 12.8478 12.8478 13.1463 13.1463 17.7136 17.7136 17.8541 17.8541 k = 0.3333 0.5774 0.3937 ( 3702 PWs) bands (ev): -74.7777 -74.7777 -43.6075 -43.6075 -39.1852 -39.1852 -39.0966 -39.0966 -0.8805 -0.8805 -0.8660 -0.8660 4.6497 4.6497 4.7917 4.7917 5.5867 5.5867 6.5503 6.5503 6.7120 6.7120 6.9058 6.9058 7.1829 7.1829 7.8837 7.8837 7.9315 7.9315 12.8555 12.8555 13.1550 13.1550 17.7220 17.7220 17.8454 17.8454 Writing output data file Te2Pd.save init_run : 0.30s CPU 0.46s WALL ( 1 calls) electrons : 83.08s CPU 84.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 83.06s CPU 84.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 348 calls) cegterg : 75.79s CPU 76.81s WALL ( 405 calls) Called by sum_band: Called by *egterg: h_psi : 46.30s CPU 47.31s WALL ( 6580 calls) s_psi : 2.23s CPU 2.17s WALL ( 6580 calls) g_psi : 0.14s CPU 0.13s WALL ( 5827 calls) cdiaghg : 24.81s CPU 25.28s WALL ( 6175 calls) cegterg:over : 2.87s CPU 2.72s WALL ( 5827 calls) cegterg:upda : 2.17s CPU 2.16s WALL ( 5827 calls) cegterg:last : 1.24s CPU 1.40s WALL ( 1101 calls) cdiaghg:chol : 1.35s CPU 1.37s WALL ( 6175 calls) cdiaghg:inve : 0.55s CPU 0.62s WALL ( 6175 calls) cdiaghg:para : 1.38s CPU 1.52s WALL ( 12350 calls) Called by h_psi: h_psi:vloc : 41.28s CPU 42.01s WALL ( 6580 calls) h_psi:vnl : 4.92s CPU 5.19s WALL ( 6580 calls) add_vuspsi : 2.50s CPU 2.67s WALL ( 6580 calls) General routines calbec : 2.41s CPU 2.50s WALL ( 6580 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 38.24s CPU 38.92s WALL ( 499116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 696 calls) Parallel routines fft_scatter : 14.30s CPU 14.48s WALL ( 499139 calls) PWSCF : 1m35.77s CPU 1m49.45s WALL This run was terminated on: 21: 8:29 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=