Program PWSCF v.5.1.1 starts on 21May2015 at 12:38:15 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./TiSe2.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 13 4 2139 453 74 Max 38 14 5 2144 478 80 Sum 1789 649 199 102735 22277 3671 bravais-lattice index = 14 lattice parameter (alat) = 6.6896 a.u. unit-cell volume = 440.0111 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.689630 celldm(2)= 1.000000 celldm(3)= 1.697175 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 1.697175 ) 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 0.589214 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Se 6.00 78.96000 Se( 1.00) Ti 12.00 47.86700 Ti( 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0096154 0.0055514 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0288462 0.0166543 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0480769 0.0277572 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0673077 0.0388601 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0865385 0.0499630 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0026738 k( 12) = ( 0.1057692 0.0610659 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1442308 0.0832717 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1634615 0.0943746 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1826923 0.1054775 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0026738 k( 22) = ( 0.2019231 0.1165803 -0.0000000), wk = 0.0026738 k( 23) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0026738 k( 24) = ( 0.2211539 0.1276832 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2403846 0.1387861 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2596154 0.1498890 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2788462 0.1609919 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2980769 0.1720948 -0.0000000), wk = 0.0026738 k( 33) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0026738 k( 34) = ( 0.3173077 0.1831977 -0.0000000), wk = 0.0026738 k( 35) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3365385 0.1943006 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3557692 0.2054035 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3942308 0.2276092 -0.0000000), wk = 0.0026738 k( 43) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0026738 k( 44) = ( 0.4134615 0.2387121 -0.0000000), wk = 0.0026738 k( 45) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0026738 k( 46) = ( 0.4326923 0.2498150 -0.0000000), wk = 0.0026738 k( 47) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4519231 0.2609179 -0.0000000), wk = 0.0026738 k( 49) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0026738 k( 50) = ( 0.4711538 0.2720208 -0.0000000), wk = 0.0026738 k( 51) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4903846 0.2831237 -0.0000000), wk = 0.0026738 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 55) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0026738 k( 56) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0026738 k( 57) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0026738 k( 58) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0026738 k( 59) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026738 k( 60) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026738 k( 61) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0026738 k( 62) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0026738 k( 63) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0026738 k( 64) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026738 k( 65) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0026738 k( 66) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0026738 k( 68) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0026738 k( 69) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026738 k( 70) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0026738 k( 71) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0026738 k( 72) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026738 k( 73) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0026738 k( 74) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026738 k( 75) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0026738 k( 76) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0026738 k( 77) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0026738 k( 78) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026738 k( 79) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026738 k( 80) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0026738 k( 81) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0026738 k( 82) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0026738 k( 83) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0026738 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 85) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 86) = ( 0.3277778 0.5677278 -0.0000000), wk = 0.0026738 k( 87) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0026738 k( 88) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0026738 k( 89) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0026738 k( 91) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0026738 k( 92) = ( 0.2944444 0.5099927 -0.0000000), wk = 0.0026738 k( 93) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0026738 k( 94) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0026738 k( 95) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0026738 k( 96) = ( 0.2722222 0.4715027 -0.0000000), wk = 0.0026738 k( 97) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0026738 k( 98) = ( 0.2611111 0.4522577 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0026738 k( 100) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0026738 k( 101) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0026738 k( 102) = ( 0.2388889 0.4137677 -0.0000000), wk = 0.0026738 k( 103) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0026738 k( 104) = ( 0.2277778 0.3945227 -0.0000000), wk = 0.0026738 k( 105) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0026738 k( 106) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0026738 k( 107) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0026738 k( 108) = ( 0.2055556 0.3560327 -0.0000000), wk = 0.0026738 k( 109) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0026738 k( 110) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0026738 k( 111) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0026738 k( 112) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0026738 k( 113) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0026738 k( 114) = ( 0.1722222 0.2982976 -0.0000000), wk = 0.0026738 k( 115) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026738 k( 116) = ( 0.1611111 0.2790526 -0.0000000), wk = 0.0026738 k( 117) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0026738 k( 118) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0026738 k( 119) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0026738 k( 120) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0026738 k( 121) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0026738 k( 122) = ( 0.1277778 0.2213176 -0.0000000), wk = 0.0026738 k( 123) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0026738 k( 124) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0026738 k( 125) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0026738 k( 126) = ( 0.1055556 0.1828276 -0.0000000), wk = 0.0026738 k( 127) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0026738 k( 128) = ( 0.0944444 0.1635826 -0.0000000), wk = 0.0026738 k( 129) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0026738 k( 130) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0026738 k( 131) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0026738 k( 132) = ( 0.0722222 0.1250926 -0.0000000), wk = 0.0026738 k( 133) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0026738 k( 134) = ( 0.0611111 0.1058475 -0.0000000), wk = 0.0026738 k( 135) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0026738 k( 136) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0026738 k( 137) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0026738 k( 138) = ( 0.0388889 0.0673575 -0.0000000), wk = 0.0026738 k( 139) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0026738 k( 140) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0026738 k( 141) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0026738 k( 143) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0055556 0.0096225 -0.0000000), wk = 0.0026738 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 147) = ( 0.0000000 0.0000000 0.0109114), wk = 0.0026738 k( 148) = ( 0.0000000 0.0000000 0.0218228), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0327341), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0436455), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.0545569), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.0654683), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.0763796), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.0872910), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.0982024), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.1091138), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.1200251), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.1309365), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.1418479), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.1527593), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.1636707), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.1745820), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.1854934), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.1964048), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.2073162), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.2182275), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.2291389), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.2400503), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.2509617), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.2618731), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.2727844), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.2836958), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.2946072), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.2946072), wk = 0.0026738 k( 175) = ( 0.0096154 0.0055514 0.2946072), wk = 0.0026738 k( 176) = ( 0.0192308 0.0111029 0.2946072), wk = 0.0026738 k( 177) = ( 0.0288462 0.0166543 0.2946072), wk = 0.0026738 k( 178) = ( 0.0384615 0.0222058 0.2946072), wk = 0.0026738 k( 179) = ( 0.0480769 0.0277572 0.2946072), wk = 0.0026738 k( 180) = ( 0.0576923 0.0333087 0.2946072), wk = 0.0026738 k( 181) = ( 0.0673077 0.0388601 0.2946072), wk = 0.0026738 k( 182) = ( 0.0769231 0.0444116 0.2946072), wk = 0.0026738 k( 183) = ( 0.0865385 0.0499630 0.2946072), wk = 0.0026738 k( 184) = ( 0.0961538 0.0555145 0.2946072), wk = 0.0026738 k( 185) = ( 0.1057692 0.0610659 0.2946072), wk = 0.0026738 k( 186) = ( 0.1153846 0.0666173 0.2946072), wk = 0.0026738 k( 187) = ( 0.1250000 0.0721688 0.2946072), wk = 0.0026738 k( 188) = ( 0.1346154 0.0777202 0.2946072), wk = 0.0026738 k( 189) = ( 0.1442308 0.0832717 0.2946072), wk = 0.0026738 k( 190) = ( 0.1538461 0.0888231 0.2946072), wk = 0.0026738 k( 191) = ( 0.1634615 0.0943746 0.2946072), wk = 0.0026738 k( 192) = ( 0.1730769 0.0999260 0.2946072), wk = 0.0026738 k( 193) = ( 0.1826923 0.1054775 0.2946072), wk = 0.0026738 k( 194) = ( 0.1923077 0.1110289 0.2946072), wk = 0.0026738 k( 195) = ( 0.2019231 0.1165803 0.2946072), wk = 0.0026738 k( 196) = ( 0.2115385 0.1221318 0.2946072), wk = 0.0026738 k( 197) = ( 0.2211539 0.1276832 0.2946072), wk = 0.0026738 k( 198) = ( 0.2307692 0.1332347 0.2946072), wk = 0.0026738 k( 199) = ( 0.2403846 0.1387861 0.2946072), wk = 0.0026738 k( 200) = ( 0.2500000 0.1443376 0.2946072), wk = 0.0026738 k( 201) = ( 0.2596154 0.1498890 0.2946072), wk = 0.0026738 k( 202) = ( 0.2692308 0.1554405 0.2946072), wk = 0.0026738 k( 203) = ( 0.2788462 0.1609919 0.2946072), wk = 0.0026738 k( 204) = ( 0.2884615 0.1665433 0.2946072), wk = 0.0026738 k( 205) = ( 0.2980769 0.1720948 0.2946072), wk = 0.0026738 k( 206) = ( 0.3076923 0.1776462 0.2946072), wk = 0.0026738 k( 207) = ( 0.3173077 0.1831977 0.2946072), wk = 0.0026738 k( 208) = ( 0.3269231 0.1887491 0.2946072), wk = 0.0026738 k( 209) = ( 0.3365385 0.1943006 0.2946072), wk = 0.0026738 k( 210) = ( 0.3461538 0.1998520 0.2946072), wk = 0.0026738 k( 211) = ( 0.3557692 0.2054035 0.2946072), wk = 0.0026738 k( 212) = ( 0.3653846 0.2109549 0.2946072), wk = 0.0026738 k( 213) = ( 0.3750000 0.2165064 0.2946072), wk = 0.0026738 k( 214) = ( 0.3846154 0.2220578 0.2946072), wk = 0.0026738 k( 215) = ( 0.3942308 0.2276092 0.2946072), wk = 0.0026738 k( 216) = ( 0.4038462 0.2331607 0.2946072), wk = 0.0026738 k( 217) = ( 0.4134615 0.2387121 0.2946072), wk = 0.0026738 k( 218) = ( 0.4230769 0.2442636 0.2946072), wk = 0.0026738 k( 219) = ( 0.4326923 0.2498150 0.2946072), wk = 0.0026738 k( 220) = ( 0.4423077 0.2553665 0.2946072), wk = 0.0026738 k( 221) = ( 0.4519231 0.2609179 0.2946072), wk = 0.0026738 k( 222) = ( 0.4615385 0.2664694 0.2946072), wk = 0.0026738 k( 223) = ( 0.4711538 0.2720208 0.2946072), wk = 0.0026738 k( 224) = ( 0.4807692 0.2775722 0.2946072), wk = 0.0026738 k( 225) = ( 0.4903846 0.2831237 0.2946072), wk = 0.0026738 k( 226) = ( 0.5000000 0.2886751 0.2946072), wk = 0.0026738 k( 227) = ( 0.5000000 0.2886751 0.2946072), wk = 0.0026738 k( 228) = ( 0.4944444 0.2982976 0.2946072), wk = 0.0026738 k( 229) = ( 0.4888889 0.3079201 0.2946072), wk = 0.0026738 k( 230) = ( 0.4833333 0.3175426 0.2946072), wk = 0.0026738 k( 231) = ( 0.4777778 0.3271651 0.2946072), wk = 0.0026738 k( 232) = ( 0.4722222 0.3367877 0.2946072), wk = 0.0026738 k( 233) = ( 0.4666667 0.3464102 0.2946072), wk = 0.0026738 k( 234) = ( 0.4611111 0.3560327 0.2946072), wk = 0.0026738 k( 235) = ( 0.4555556 0.3656552 0.2946072), wk = 0.0026738 k( 236) = ( 0.4500000 0.3752777 0.2946072), wk = 0.0026738 k( 237) = ( 0.4444444 0.3849002 0.2946072), wk = 0.0026738 k( 238) = ( 0.4388889 0.3945227 0.2946072), wk = 0.0026738 k( 239) = ( 0.4333333 0.4041452 0.2946072), wk = 0.0026738 k( 240) = ( 0.4277778 0.4137677 0.2946072), wk = 0.0026738 k( 241) = ( 0.4222222 0.4233902 0.2946072), wk = 0.0026738 k( 242) = ( 0.4166667 0.4330127 0.2946072), wk = 0.0026738 k( 243) = ( 0.4111111 0.4426352 0.2946072), wk = 0.0026738 k( 244) = ( 0.4055556 0.4522577 0.2946072), wk = 0.0026738 k( 245) = ( 0.4000000 0.4618802 0.2946072), wk = 0.0026738 k( 246) = ( 0.3944444 0.4715027 0.2946072), wk = 0.0026738 k( 247) = ( 0.3888889 0.4811252 0.2946072), wk = 0.0026738 k( 248) = ( 0.3833333 0.4907477 0.2946072), wk = 0.0026738 k( 249) = ( 0.3777778 0.5003702 0.2946072), wk = 0.0026738 k( 250) = ( 0.3722222 0.5099927 0.2946072), wk = 0.0026738 k( 251) = ( 0.3666667 0.5196152 0.2946072), wk = 0.0026738 k( 252) = ( 0.3611111 0.5292377 0.2946072), wk = 0.0026738 k( 253) = ( 0.3555556 0.5388603 0.2946072), wk = 0.0026738 k( 254) = ( 0.3500000 0.5484828 0.2946072), wk = 0.0026738 k( 255) = ( 0.3444444 0.5581053 0.2946072), wk = 0.0026738 k( 256) = ( 0.3388889 0.5677278 0.2946072), wk = 0.0026738 k( 257) = ( 0.3333333 0.5773503 0.2946072), wk = 0.0026738 k( 258) = ( 0.3333333 0.5773503 0.2946072), wk = 0.0026738 k( 259) = ( 0.3277778 0.5677278 0.2946072), wk = 0.0026738 k( 260) = ( 0.3222222 0.5581053 0.2946072), wk = 0.0026738 k( 261) = ( 0.3166667 0.5484828 0.2946072), wk = 0.0026738 k( 262) = ( 0.3111111 0.5388602 0.2946072), wk = 0.0026738 k( 263) = ( 0.3055556 0.5292378 0.2946072), wk = 0.0026738 k( 264) = ( 0.3000000 0.5196152 0.2946072), wk = 0.0026738 k( 265) = ( 0.2944444 0.5099927 0.2946072), wk = 0.0026738 k( 266) = ( 0.2888889 0.5003702 0.2946072), wk = 0.0026738 k( 267) = ( 0.2833333 0.4907477 0.2946072), wk = 0.0026738 k( 268) = ( 0.2777778 0.4811252 0.2946072), wk = 0.0026738 k( 269) = ( 0.2722222 0.4715027 0.2946072), wk = 0.0026738 k( 270) = ( 0.2666667 0.4618802 0.2946072), wk = 0.0026738 k( 271) = ( 0.2611111 0.4522577 0.2946072), wk = 0.0026738 k( 272) = ( 0.2555556 0.4426352 0.2946072), wk = 0.0026738 k( 273) = ( 0.2500000 0.4330127 0.2946072), wk = 0.0026738 k( 274) = ( 0.2444444 0.4233902 0.2946072), wk = 0.0026738 k( 275) = ( 0.2388889 0.4137677 0.2946072), wk = 0.0026738 k( 276) = ( 0.2333333 0.4041452 0.2946072), wk = 0.0026738 k( 277) = ( 0.2277778 0.3945227 0.2946072), wk = 0.0026738 k( 278) = ( 0.2222222 0.3849002 0.2946072), wk = 0.0026738 k( 279) = ( 0.2166667 0.3752777 0.2946072), wk = 0.0026738 k( 280) = ( 0.2111111 0.3656552 0.2946072), wk = 0.0026738 k( 281) = ( 0.2055556 0.3560327 0.2946072), wk = 0.0026738 k( 282) = ( 0.2000000 0.3464102 0.2946072), wk = 0.0026738 k( 283) = ( 0.1944444 0.3367876 0.2946072), wk = 0.0026738 k( 284) = ( 0.1888889 0.3271652 0.2946072), wk = 0.0026738 k( 285) = ( 0.1833333 0.3175426 0.2946072), wk = 0.0026738 k( 286) = ( 0.1777778 0.3079201 0.2946072), wk = 0.0026738 k( 287) = ( 0.1722222 0.2982976 0.2946072), wk = 0.0026738 k( 288) = ( 0.1666667 0.2886751 0.2946072), wk = 0.0026738 k( 289) = ( 0.1611111 0.2790526 0.2946072), wk = 0.0026738 k( 290) = ( 0.1555556 0.2694301 0.2946072), wk = 0.0026738 k( 291) = ( 0.1500000 0.2598076 0.2946072), wk = 0.0026738 k( 292) = ( 0.1444444 0.2501851 0.2946072), wk = 0.0026738 k( 293) = ( 0.1388889 0.2405626 0.2946072), wk = 0.0026738 k( 294) = ( 0.1333333 0.2309401 0.2946072), wk = 0.0026738 k( 295) = ( 0.1277778 0.2213176 0.2946072), wk = 0.0026738 k( 296) = ( 0.1222222 0.2116951 0.2946072), wk = 0.0026738 k( 297) = ( 0.1166667 0.2020726 0.2946072), wk = 0.0026738 k( 298) = ( 0.1111111 0.1924501 0.2946072), wk = 0.0026738 k( 299) = ( 0.1055556 0.1828276 0.2946072), wk = 0.0026738 k( 300) = ( 0.1000000 0.1732051 0.2946072), wk = 0.0026738 k( 301) = ( 0.0944444 0.1635826 0.2946072), wk = 0.0026738 k( 302) = ( 0.0888889 0.1539601 0.2946072), wk = 0.0026738 k( 303) = ( 0.0833333 0.1443376 0.2946072), wk = 0.0026738 k( 304) = ( 0.0777778 0.1347151 0.2946072), wk = 0.0026738 k( 305) = ( 0.0722222 0.1250926 0.2946072), wk = 0.0026738 k( 306) = ( 0.0666667 0.1154701 0.2946072), wk = 0.0026738 k( 307) = ( 0.0611111 0.1058475 0.2946072), wk = 0.0026738 k( 308) = ( 0.0555556 0.0962251 0.2946072), wk = 0.0026738 k( 309) = ( 0.0500000 0.0866025 0.2946072), wk = 0.0026738 k( 310) = ( 0.0444444 0.0769800 0.2946072), wk = 0.0026738 k( 311) = ( 0.0388889 0.0673575 0.2946072), wk = 0.0026738 k( 312) = ( 0.0333333 0.0577350 0.2946072), wk = 0.0026738 k( 313) = ( 0.0277778 0.0481125 0.2946072), wk = 0.0026738 k( 314) = ( 0.0222222 0.0384900 0.2946072), wk = 0.0026738 k( 315) = ( 0.0166667 0.0288675 0.2946072), wk = 0.0026738 k( 316) = ( 0.0111111 0.0192450 0.2946072), wk = 0.0026738 k( 317) = ( 0.0055556 0.0096225 0.2946072), wk = 0.0026738 k( 318) = ( 0.0000000 0.0000000 0.2946072), wk = 0.0026738 k( 319) = ( 0.5000000 0.2886751 0.2946072), wk = 0.0026738 k( 320) = ( 0.5000000 0.2886751 0.2836958), wk = 0.0026738 k( 321) = ( 0.5000000 0.2886751 0.2727844), wk = 0.0026738 k( 322) = ( 0.5000000 0.2886751 0.2618731), wk = 0.0026738 k( 323) = ( 0.5000000 0.2886751 0.2509617), wk = 0.0026738 k( 324) = ( 0.5000000 0.2886751 0.2400503), wk = 0.0026738 k( 325) = ( 0.5000000 0.2886751 0.2291389), wk = 0.0026738 k( 326) = ( 0.5000000 0.2886751 0.2182275), wk = 0.0026738 k( 327) = ( 0.5000000 0.2886751 0.2073162), wk = 0.0026738 k( 328) = ( 0.5000000 0.2886751 0.1964048), wk = 0.0026738 k( 329) = ( 0.5000000 0.2886751 0.1854934), wk = 0.0026738 k( 330) = ( 0.5000000 0.2886751 0.1745820), wk = 0.0026738 k( 331) = ( 0.5000000 0.2886751 0.1636707), wk = 0.0026738 k( 332) = ( 0.5000000 0.2886751 0.1527593), wk = 0.0026738 k( 333) = ( 0.5000000 0.2886751 0.1418479), wk = 0.0026738 k( 334) = ( 0.5000000 0.2886751 0.1309365), wk = 0.0026738 k( 335) = ( 0.5000000 0.2886751 0.1200251), wk = 0.0026738 k( 336) = ( 0.5000000 0.2886751 0.1091138), wk = 0.0026738 k( 337) = ( 0.5000000 0.2886751 0.0982024), wk = 0.0026738 k( 338) = ( 0.5000000 0.2886751 0.0872910), wk = 0.0026738 k( 339) = ( 0.5000000 0.2886751 0.0763796), wk = 0.0026738 k( 340) = ( 0.5000000 0.2886751 0.0654683), wk = 0.0026738 k( 341) = ( 0.5000000 0.2886751 0.0545569), wk = 0.0026738 k( 342) = ( 0.5000000 0.2886751 0.0436455), wk = 0.0026738 k( 343) = ( 0.5000000 0.2886751 0.0327341), wk = 0.0026738 k( 344) = ( 0.5000000 0.2886751 0.0218228), wk = 0.0026738 k( 345) = ( 0.5000000 0.2886751 0.0109114), wk = 0.0026738 k( 346) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 347) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 348) = ( 0.3333333 0.5773503 0.0109114), wk = 0.0026738 k( 349) = ( 0.3333333 0.5773503 0.0218228), wk = 0.0026738 k( 350) = ( 0.3333333 0.5773503 0.0327341), wk = 0.0026738 k( 351) = ( 0.3333333 0.5773503 0.0436455), wk = 0.0026738 k( 352) = ( 0.3333333 0.5773503 0.0545569), wk = 0.0026738 k( 353) = ( 0.3333333 0.5773503 0.0654683), wk = 0.0026738 k( 354) = ( 0.3333333 0.5773503 0.0763796), wk = 0.0026738 k( 355) = ( 0.3333333 0.5773503 0.0872910), wk = 0.0026738 k( 356) = ( 0.3333333 0.5773503 0.0982024), wk = 0.0026738 k( 357) = ( 0.3333333 0.5773503 0.1091138), wk = 0.0026738 k( 358) = ( 0.3333333 0.5773503 0.1200251), wk = 0.0026738 k( 359) = ( 0.3333333 0.5773503 0.1309365), wk = 0.0026738 k( 360) = ( 0.3333333 0.5773503 0.1418479), wk = 0.0026738 k( 361) = ( 0.3333333 0.5773503 0.1527593), wk = 0.0026738 k( 362) = ( 0.3333333 0.5773503 0.1636707), wk = 0.0026738 k( 363) = ( 0.3333333 0.5773503 0.1745820), wk = 0.0026738 k( 364) = ( 0.3333333 0.5773503 0.1854934), wk = 0.0026738 k( 365) = ( 0.3333333 0.5773503 0.1964048), wk = 0.0026738 k( 366) = ( 0.3333333 0.5773503 0.2073162), wk = 0.0026738 k( 367) = ( 0.3333333 0.5773503 0.2182275), wk = 0.0026738 k( 368) = ( 0.3333333 0.5773503 0.2291389), wk = 0.0026738 k( 369) = ( 0.3333333 0.5773503 0.2400503), wk = 0.0026738 k( 370) = ( 0.3333333 0.5773503 0.2509617), wk = 0.0026738 k( 371) = ( 0.3333333 0.5773503 0.2618731), wk = 0.0026738 k( 372) = ( 0.3333333 0.5773503 0.2727844), wk = 0.0026738 k( 373) = ( 0.3333333 0.5773503 0.2836958), wk = 0.0026738 k( 374) = ( 0.3333333 0.5773503 0.2946072), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0026738 k( 3) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0026738 k( 4) = ( 0.0288462 0.0000000 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0026738 k( 6) = ( 0.0480769 0.0000000 0.0000000), wk = 0.0026738 k( 7) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0026738 k( 8) = ( 0.0673077 0.0000000 0.0000000), wk = 0.0026738 k( 9) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0026738 k( 10) = ( 0.0865385 0.0000000 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0026738 k( 12) = ( 0.1057692 0.0000000 0.0000000), wk = 0.0026738 k( 13) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0026738 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0026738 k( 15) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0026738 k( 16) = ( 0.1442308 0.0000000 0.0000000), wk = 0.0026738 k( 17) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1634615 0.0000000 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0026738 k( 21) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0026738 k( 22) = ( 0.2019231 0.0000000 0.0000000), wk = 0.0026738 k( 23) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0026738 k( 24) = ( 0.2211539 0.0000000 0.0000000), wk = 0.0026738 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0026738 k( 26) = ( 0.2403846 0.0000000 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026738 k( 28) = ( 0.2596154 0.0000000 0.0000000), wk = 0.0026738 k( 29) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2788462 0.0000000 0.0000000), wk = 0.0026738 k( 31) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0026738 k( 32) = ( 0.2980769 -0.0000000 0.0000000), wk = 0.0026738 k( 33) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0026738 k( 34) = ( 0.3173077 0.0000000 -0.0000000), wk = 0.0026738 k( 35) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3365385 0.0000000 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0026738 k( 38) = ( 0.3557692 0.0000000 0.0000000), wk = 0.0026738 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0026738 k( 40) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0026738 k( 41) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0026738 k( 42) = ( 0.3942308 0.0000000 0.0000000), wk = 0.0026738 k( 43) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0026738 k( 44) = ( 0.4134615 0.0000000 0.0000000), wk = 0.0026738 k( 45) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0026738 k( 46) = ( 0.4326923 0.0000000 -0.0000000), wk = 0.0026738 k( 47) = ( 0.4423077 0.0000000 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0026738 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0026738 k( 50) = ( 0.4711538 0.0000000 0.0000000), wk = 0.0026738 k( 51) = ( 0.4807692 0.0000000 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4903846 0.0000000 -0.0000000), wk = 0.0026738 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 55) = ( 0.4944444 0.0111111 -0.0000000), wk = 0.0026738 k( 56) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0026738 k( 57) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0026738 k( 58) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0026738 k( 59) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0026738 k( 60) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0026738 k( 61) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0026738 k( 62) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0026738 k( 63) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0026738 k( 65) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0026738 k( 66) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0026738 k( 68) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0026738 k( 69) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026738 k( 70) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0026738 k( 71) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0026738 k( 72) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026738 k( 73) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0026738 k( 74) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0026738 k( 75) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0026738 k( 76) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0026738 k( 77) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0026738 k( 78) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0026738 k( 79) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0026738 k( 80) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0026738 k( 81) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0026738 k( 82) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0026738 k( 83) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0026738 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 85) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 86) = ( 0.3277778 0.3277778 0.0000000), wk = 0.0026738 k( 87) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0026738 k( 88) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0026738 k( 89) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 91) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026738 k( 92) = ( 0.2944444 0.2944444 0.0000000), wk = 0.0026738 k( 93) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0026738 k( 94) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0026738 k( 95) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 96) = ( 0.2722222 0.2722222 0.0000000), wk = 0.0026738 k( 97) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026738 k( 98) = ( 0.2611111 0.2611111 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0026738 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 101) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0026738 k( 102) = ( 0.2388889 0.2388889 0.0000000), wk = 0.0026738 k( 103) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0026738 k( 104) = ( 0.2277778 0.2277778 0.0000000), wk = 0.0026738 k( 105) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0026738 k( 106) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0026738 k( 107) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0026738 k( 108) = ( 0.2055556 0.2055556 0.0000000), wk = 0.0026738 k( 109) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0026738 k( 110) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0026738 k( 111) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0026738 k( 112) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0026738 k( 113) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0026738 k( 114) = ( 0.1722222 0.1722222 0.0000000), wk = 0.0026738 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 116) = ( 0.1611111 0.1611111 -0.0000000), wk = 0.0026738 k( 117) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0026738 k( 118) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0026738 k( 119) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0026738 k( 120) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0026738 k( 121) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026738 k( 122) = ( 0.1277778 0.1277778 0.0000000), wk = 0.0026738 k( 123) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0026738 k( 124) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0026738 k( 125) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0026738 k( 126) = ( 0.1055556 0.1055556 0.0000000), wk = 0.0026738 k( 127) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0026738 k( 128) = ( 0.0944444 0.0944444 0.0000000), wk = 0.0026738 k( 129) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0026738 k( 130) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0026738 k( 131) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0026738 k( 132) = ( 0.0722222 0.0722222 -0.0000000), wk = 0.0026738 k( 133) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026738 k( 134) = ( 0.0611111 0.0611111 0.0000000), wk = 0.0026738 k( 135) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 136) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0026738 k( 137) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0026738 k( 138) = ( 0.0388889 0.0388889 0.0000000), wk = 0.0026738 k( 139) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0026738 k( 140) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 141) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0026738 k( 143) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0055556 0.0055556 0.0000000), wk = 0.0026738 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 147) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026738 k( 148) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 175) = ( 0.0096154 0.0000000 0.5000000), wk = 0.0026738 k( 176) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0026738 k( 177) = ( 0.0288462 0.0000000 0.5000000), wk = 0.0026738 k( 178) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0026738 k( 179) = ( 0.0480769 0.0000000 0.5000000), wk = 0.0026738 k( 180) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0026738 k( 181) = ( 0.0673077 0.0000000 0.5000000), wk = 0.0026738 k( 182) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0026738 k( 183) = ( 0.0865385 0.0000000 0.5000000), wk = 0.0026738 k( 184) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0026738 k( 185) = ( 0.1057692 0.0000000 0.5000000), wk = 0.0026738 k( 186) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0026738 k( 187) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0026738 k( 188) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0026738 k( 189) = ( 0.1442308 0.0000000 0.5000000), wk = 0.0026738 k( 190) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0026738 k( 191) = ( 0.1634615 0.0000000 0.5000000), wk = 0.0026738 k( 192) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0026738 k( 193) = ( 0.1826923 0.0000000 0.5000000), wk = 0.0026738 k( 194) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0026738 k( 195) = ( 0.2019231 0.0000000 0.5000000), wk = 0.0026738 k( 196) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0026738 k( 197) = ( 0.2211539 0.0000000 0.5000000), wk = 0.0026738 k( 198) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0026738 k( 199) = ( 0.2403846 0.0000000 0.5000000), wk = 0.0026738 k( 200) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026738 k( 201) = ( 0.2596154 0.0000000 0.5000000), wk = 0.0026738 k( 202) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0026738 k( 203) = ( 0.2788462 0.0000000 0.5000000), wk = 0.0026738 k( 204) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0026738 k( 205) = ( 0.2980769 -0.0000000 0.5000000), wk = 0.0026738 k( 206) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0026738 k( 207) = ( 0.3173077 0.0000000 0.5000000), wk = 0.0026738 k( 208) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0026738 k( 209) = ( 0.3365385 0.0000000 0.5000000), wk = 0.0026738 k( 210) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0026738 k( 211) = ( 0.3557692 0.0000000 0.5000000), wk = 0.0026738 k( 212) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0026738 k( 213) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026738 k( 214) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0026738 k( 215) = ( 0.3942308 0.0000000 0.5000000), wk = 0.0026738 k( 216) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0026738 k( 217) = ( 0.4134615 0.0000000 0.5000000), wk = 0.0026738 k( 218) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0026738 k( 219) = ( 0.4326923 0.0000000 0.5000000), wk = 0.0026738 k( 220) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0026738 k( 221) = ( 0.4519231 0.0000000 0.5000000), wk = 0.0026738 k( 222) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0026738 k( 223) = ( 0.4711538 0.0000000 0.5000000), wk = 0.0026738 k( 224) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0026738 k( 225) = ( 0.4903846 0.0000000 0.5000000), wk = 0.0026738 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 228) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0026738 k( 229) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0026738 k( 230) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0026738 k( 231) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0026738 k( 232) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026738 k( 233) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026738 k( 234) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0026738 k( 235) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0026738 k( 236) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0026738 k( 237) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026738 k( 238) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0026738 k( 239) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026738 k( 240) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0026738 k( 241) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0026738 k( 242) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026738 k( 243) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0026738 k( 244) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0026738 k( 245) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026738 k( 246) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0026738 k( 247) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026738 k( 248) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0026738 k( 249) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0026738 k( 250) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0026738 k( 251) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026738 k( 252) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026738 k( 253) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0026738 k( 254) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0026738 k( 255) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0026738 k( 256) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0026738 k( 257) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 259) = ( 0.3277778 0.3277778 0.5000000), wk = 0.0026738 k( 260) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0026738 k( 261) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0026738 k( 262) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0026738 k( 263) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 264) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026738 k( 265) = ( 0.2944444 0.2944444 0.5000000), wk = 0.0026738 k( 266) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0026738 k( 267) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0026738 k( 268) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 269) = ( 0.2722222 0.2722222 0.5000000), wk = 0.0026738 k( 270) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026738 k( 271) = ( 0.2611111 0.2611111 0.5000000), wk = 0.0026738 k( 272) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0026738 k( 273) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 274) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0026738 k( 275) = ( 0.2388889 0.2388889 0.5000000), wk = 0.0026738 k( 276) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026738 k( 277) = ( 0.2277778 0.2277778 0.5000000), wk = 0.0026738 k( 278) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 279) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0026738 k( 280) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0026738 k( 281) = ( 0.2055556 0.2055556 0.5000000), wk = 0.0026738 k( 282) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026738 k( 283) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 284) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0026738 k( 285) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0026738 k( 286) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0026738 k( 287) = ( 0.1722222 0.1722222 0.5000000), wk = 0.0026738 k( 288) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 289) = ( 0.1611111 0.1611111 0.5000000), wk = 0.0026738 k( 290) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0026738 k( 291) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0026738 k( 292) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0026738 k( 293) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 294) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026738 k( 295) = ( 0.1277778 0.1277778 0.5000000), wk = 0.0026738 k( 296) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0026738 k( 297) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0026738 k( 298) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 299) = ( 0.1055556 0.1055556 0.5000000), wk = 0.0026738 k( 300) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026738 k( 301) = ( 0.0944444 0.0944444 0.5000000), wk = 0.0026738 k( 302) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0026738 k( 303) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 304) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0026738 k( 305) = ( 0.0722222 0.0722222 0.5000000), wk = 0.0026738 k( 306) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026738 k( 307) = ( 0.0611111 0.0611111 0.5000000), wk = 0.0026738 k( 308) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 309) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0026738 k( 310) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0026738 k( 311) = ( 0.0388889 0.0388889 0.5000000), wk = 0.0026738 k( 312) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026738 k( 313) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 314) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0026738 k( 315) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0026738 k( 316) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0026738 k( 317) = ( 0.0055556 0.0055556 0.5000000), wk = 0.0026738 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 320) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0026738 k( 321) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0026738 k( 322) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0026738 k( 323) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0026738 k( 324) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0026738 k( 325) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0026738 k( 326) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0026738 k( 327) = ( 0.5000000 0.0000000 0.3518518), wk = 0.0026738 k( 328) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026738 k( 329) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0026738 k( 330) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0026738 k( 331) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0026738 k( 332) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0026738 k( 333) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0026738 k( 334) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0026738 k( 335) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0026738 k( 336) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0026738 k( 337) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026738 k( 338) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0026738 k( 339) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0026738 k( 340) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0026738 k( 341) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0026738 k( 342) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0026738 k( 343) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0026738 k( 344) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0026738 k( 345) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0026738 k( 346) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 347) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 348) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0026738 k( 349) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0026738 k( 350) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0026738 k( 351) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0026738 k( 352) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0026738 k( 353) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0026738 k( 354) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0026738 k( 355) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0026738 k( 356) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0026738 k( 357) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0026738 k( 358) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0026738 k( 359) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0026738 k( 360) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0026738 k( 361) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0026738 k( 362) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0026738 k( 363) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0026738 k( 364) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0026738 k( 365) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026738 k( 366) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0026738 k( 367) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0026738 k( 368) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0026738 k( 369) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0026738 k( 370) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0026738 k( 371) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0026738 k( 372) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0026738 k( 373) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0026738 k( 374) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 Dense grid: 102735 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 22277 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 138, 32) NL pseudopotentials 0.07 Mb ( 69, 62) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2141) G-vector shells 0.01 Mb ( 1036) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 138, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./TiSe2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 42.0 secs Computing kpt #: 4 total cpu time spent up to now is 42.6 secs Computing kpt #: 5 total cpu time spent up to now is 43.2 secs Computing kpt #: 6 total cpu time spent up to now is 43.7 secs Computing kpt #: 7 total cpu time spent up to now is 44.3 secs Computing kpt #: 8 total cpu time spent up to now is 44.8 secs Computing kpt #: 9 total cpu time spent up to now is 45.4 secs Computing kpt #: 10 total cpu time spent up to now is 45.9 secs Computing kpt #: 11 total cpu time spent up to now is 46.5 secs Computing kpt #: 12 total cpu time spent up to now is 47.1 secs Computing kpt #: 13 total cpu time spent up to now is 47.6 secs Computing kpt #: 14 total cpu time spent up to now is 48.2 secs Computing kpt #: 15 total cpu time spent up to now is 48.7 secs Computing kpt #: 16 total cpu time spent up to now is 49.2 secs Computing kpt #: 17 total cpu time spent up to now is 49.8 secs Computing kpt #: 18 total cpu time spent up to now is 50.3 secs Computing kpt #: 19 total cpu time spent up to now is 50.8 secs Computing kpt #: 20 total cpu time spent up to now is 51.4 secs Computing kpt #: 21 total cpu time spent up to now is 52.0 secs Computing kpt #: 22 total cpu time spent up to now is 52.6 secs Computing kpt #: 23 total cpu time spent up to now is 53.5 secs Computing kpt #: 24 total cpu time spent up to now is 54.3 secs Computing kpt #: 25 total cpu time spent up to now is 54.9 secs Computing kpt #: 26 total cpu time spent up to now is 55.5 secs Computing kpt #: 27 total cpu time spent up to now is 56.2 secs Computing kpt #: 28 total cpu time spent up to now is 56.8 secs Computing kpt #: 29 total cpu time spent up to now is 57.5 secs Computing kpt #: 30 total cpu time spent up to now is 58.7 secs Computing kpt #: 31 total cpu time spent up to now is 59.5 secs Computing kpt #: 32 total cpu time spent up to now is 60.5 secs Computing kpt #: 33 total cpu time spent up to now is 61.1 secs Computing kpt #: 34 total cpu time spent up to now is 61.7 secs Computing kpt #: 35 total cpu time spent up to now is 62.4 secs Computing kpt #: 36 total cpu time spent up to now is 63.8 secs Computing kpt #: 37 total cpu time spent up to now is 64.5 secs Computing kpt #: 38 total cpu time spent up to now is 65.2 secs Computing kpt #: 39 total cpu time spent up to now is 65.8 secs Computing kpt #: 40 total cpu time spent up to now is 66.4 secs Computing kpt #: 41 total cpu time spent up to now is 66.9 secs Computing kpt #: 42 total cpu time spent up to now is 67.5 secs Computing kpt #: 43 total cpu time spent up to now is 68.1 secs Computing kpt #: 44 total cpu time spent up to now is 68.7 secs Computing kpt #: 45 total cpu time spent up to now is 69.4 secs Computing kpt #: 46 total cpu time spent up to now is 70.1 secs Computing kpt #: 47 total cpu time spent up to now is 70.8 secs Computing kpt #: 48 total cpu time spent up to now is 72.4 secs Computing kpt #: 49 total cpu time spent up to now is 73.1 secs Computing kpt #: 50 total cpu time spent up to now is 73.8 secs Computing kpt #: 51 total cpu time spent up to now is 74.5 secs Computing kpt #: 52 total cpu time spent up to now is 75.4 secs Computing kpt #: 53 total cpu time spent up to now is 76.2 secs Computing kpt #: 54 total cpu time spent up to now is 77.0 secs Computing kpt #: 55 total cpu time spent up to now is 77.6 secs Computing kpt #: 56 total cpu time spent up to now is 78.4 secs Computing kpt #: 57 total cpu time spent up to now is 79.0 secs Computing kpt #: 58 total cpu time spent up to now is 80.6 secs Computing kpt #: 59 total cpu time spent up to now is 81.7 secs Computing kpt #: 60 total cpu time spent up to now is 82.5 secs Computing kpt #: 61 total cpu time spent up to now is 83.1 secs Computing kpt #: 62 total cpu time spent up to now is 83.7 secs Computing kpt #: 63 total cpu time spent up to now is 84.6 secs Computing kpt #: 64 total cpu time spent up to now is 86.2 secs Computing kpt #: 65 total cpu time spent up to now is 87.7 secs Computing kpt #: 66 total cpu time spent up to now is 89.4 secs Computing kpt #: 67 total cpu time spent up to now is 90.1 secs Computing kpt #: 68 total cpu time spent up to now is 90.6 secs Computing kpt #: 69 total cpu time spent up to now is 91.2 secs Computing kpt #: 70 total cpu time spent up to now is 91.9 secs Computing kpt #: 71 total cpu time spent up to now is 92.5 secs Computing kpt #: 72 total cpu time spent up to now is 93.3 secs Computing kpt #: 73 total cpu time spent up to now is 94.0 secs Computing kpt #: 74 total cpu time spent up to now is 94.6 secs Computing kpt #: 75 total cpu time spent up to now is 95.2 secs Computing kpt #: 76 total cpu time spent up to now is 95.8 secs Computing kpt #: 77 total cpu time spent up to now is 96.3 secs Computing kpt #: 78 total cpu time spent up to now is 96.8 secs Computing kpt #: 79 total cpu time spent up to now is 97.3 secs Computing kpt #: 80 total cpu time spent up to now is 97.8 secs Computing kpt #: 81 total cpu time spent up to now is 98.3 secs Computing kpt #: 82 total cpu time spent up to now is 98.9 secs Computing kpt #: 83 total cpu time spent up to now is 99.5 secs Computing kpt #: 84 total cpu time spent up to now is 100.1 secs Computing kpt #: 85 total cpu time spent up to now is 100.8 secs Computing kpt #: 86 total cpu time spent up to now is 101.4 secs Computing kpt #: 87 total cpu time spent up to now is 101.9 secs Computing kpt #: 88 total cpu time spent up to now is 102.4 secs Computing kpt #: 89 total cpu time spent up to now is 103.0 secs Computing kpt #: 90 total cpu time spent up to now is 103.5 secs Computing kpt #: 91 total cpu time spent up to now is 104.0 secs Computing kpt #: 92 total cpu time spent up to now is 104.5 secs Computing kpt #: 93 total cpu time spent up to now is 105.0 secs Computing kpt #: 94 total cpu time spent up to now is 105.6 secs Computing kpt #: 95 total cpu time spent up to now is 106.2 secs Computing kpt #: 96 total cpu time spent up to now is 106.7 secs Computing kpt #: 97 total cpu time spent up to now is 107.3 secs Computing kpt #: 98 total cpu time spent up to now is 107.8 secs Computing kpt #: 99 total cpu time spent up to now is 108.3 secs Computing kpt #: 100 total cpu time spent up to now is 109.5 secs Computing kpt #: 101 total cpu time spent up to now is 110.7 secs Computing kpt #: 102 total cpu time spent up to now is 112.0 secs Computing kpt #: 103 total cpu time spent up to now is 113.2 secs Computing kpt #: 104 total cpu time spent up to now is 113.9 secs Computing kpt #: 105 total cpu time spent up to now is 115.7 secs Computing kpt #: 106 total cpu time spent up to now is 116.2 secs Computing kpt #: 107 total cpu time spent up to now is 117.7 secs Computing kpt #: 108 total cpu time spent up to now is 118.9 secs Computing kpt #: 109 total cpu time spent up to now is 119.5 secs Computing kpt #: 110 total cpu time spent up to now is 120.6 secs Computing kpt #: 111 total cpu time spent up to now is 121.1 secs Computing kpt #: 112 total cpu time spent up to now is 121.6 secs Computing kpt #: 113 total cpu time spent up to now is 122.1 secs Computing kpt #: 114 total cpu time spent up to now is 122.5 secs Computing kpt #: 115 total cpu time spent up to now is 123.0 secs Computing kpt #: 116 total cpu time spent up to now is 123.5 secs Computing kpt #: 117 total cpu time spent up to now is 124.0 secs Computing kpt #: 118 total cpu time spent up to now is 124.5 secs Computing kpt #: 119 total cpu time spent up to now is 125.1 secs Computing kpt #: 120 total cpu time spent up to now is 125.6 secs Computing kpt #: 121 total cpu time spent up to now is 126.5 secs Computing kpt #: 122 total cpu time spent up to now is 127.1 secs Computing kpt #: 123 total cpu time spent up to now is 127.6 secs Computing kpt #: 124 total cpu time spent up to now is 128.1 secs Computing kpt #: 125 total cpu time spent up to now is 128.7 secs Computing kpt #: 126 total cpu time spent up to now is 129.3 secs Computing kpt #: 127 total cpu time spent up to now is 129.9 secs Computing kpt #: 128 total cpu time spent up to now is 130.6 secs Computing kpt #: 129 total cpu time spent up to now is 131.2 secs Computing kpt #: 130 total cpu time spent up to now is 131.9 secs Computing kpt #: 131 total cpu time spent up to now is 133.3 secs Computing kpt #: 132 total cpu time spent up to now is 134.7 secs Computing kpt #: 133 total cpu time spent up to now is 136.3 secs Computing kpt #: 134 total cpu time spent up to now is 138.3 secs Computing kpt #: 135 total cpu time spent up to now is 139.5 secs Computing kpt #: 136 total cpu time spent up to now is 140.9 secs Computing kpt #: 137 total cpu time spent up to now is 142.0 secs Computing kpt #: 138 total cpu time spent up to now is 143.2 secs Computing kpt #: 139 total cpu time spent up to now is 144.0 secs Computing kpt #: 140 total cpu time spent up to now is 144.5 secs Computing kpt #: 141 total cpu time spent up to now is 145.1 secs Computing kpt #: 142 total cpu time spent up to now is 145.6 secs Computing kpt #: 143 total cpu time spent up to now is 146.1 secs Computing kpt #: 144 total cpu time spent up to now is 146.7 secs Computing kpt #: 145 total cpu time spent up to now is 147.2 secs Computing kpt #: 146 total cpu time spent up to now is 147.7 secs Computing kpt #: 147 total cpu time spent up to now is 148.2 secs Computing kpt #: 148 total cpu time spent up to now is 148.9 secs Computing kpt #: 149 total cpu time spent up to now is 149.5 secs Computing kpt #: 150 total cpu time spent up to now is 150.1 secs Computing kpt #: 151 total cpu time spent up to now is 150.6 secs Computing kpt #: 152 total cpu time spent up to now is 151.4 secs Computing kpt #: 153 total cpu time spent up to now is 152.0 secs Computing kpt #: 154 total cpu time spent up to now is 152.6 secs Computing kpt #: 155 total cpu time spent up to now is 153.1 secs Computing kpt #: 156 total cpu time spent up to now is 153.8 secs Computing kpt #: 157 total cpu time spent up to now is 154.3 secs Computing kpt #: 158 total cpu time spent up to now is 154.9 secs Computing kpt #: 159 total cpu time spent up to now is 155.4 secs Computing kpt #: 160 total cpu time spent up to now is 156.1 secs Computing kpt #: 161 total cpu time spent up to now is 156.6 secs Computing kpt #: 162 total cpu time spent up to now is 157.3 secs Computing kpt #: 163 total cpu time spent up to now is 157.8 secs Computing kpt #: 164 total cpu time spent up to now is 158.4 secs Computing kpt #: 165 total cpu time spent up to now is 158.9 secs Computing kpt #: 166 total cpu time spent up to now is 160.0 secs Computing kpt #: 167 total cpu time spent up to now is 161.3 secs Computing kpt #: 168 total cpu time spent up to now is 162.6 secs Computing kpt #: 169 total cpu time spent up to now is 163.9 secs Computing kpt #: 170 total cpu time spent up to now is 164.6 secs Computing kpt #: 171 total cpu time spent up to now is 165.1 secs Computing kpt #: 172 total cpu time spent up to now is 165.7 secs Computing kpt #: 173 total cpu time spent up to now is 166.2 secs Computing kpt #: 174 total cpu time spent up to now is 166.7 secs Computing kpt #: 175 total cpu time spent up to now is 167.3 secs Computing kpt #: 176 total cpu time spent up to now is 167.8 secs Computing kpt #: 177 total cpu time spent up to now is 168.3 secs Computing kpt #: 178 total cpu time spent up to now is 168.9 secs Computing kpt #: 179 total cpu time spent up to now is 169.4 secs Computing kpt #: 180 total cpu time spent up to now is 169.9 secs Computing kpt #: 181 total cpu time spent up to now is 170.4 secs Computing kpt #: 182 total cpu time spent up to now is 171.0 secs Computing kpt #: 183 total cpu time spent up to now is 171.5 secs Computing kpt #: 184 total cpu time spent up to now is 172.2 secs Computing kpt #: 185 total cpu time spent up to now is 172.8 secs Computing kpt #: 186 total cpu time spent up to now is 173.3 secs Computing kpt #: 187 total cpu time spent up to now is 173.8 secs Computing kpt #: 188 total cpu time spent up to now is 174.4 secs Computing kpt #: 189 total cpu time spent up to now is 174.9 secs Computing kpt #: 190 total cpu time spent up to now is 175.3 secs Computing kpt #: 191 total cpu time spent up to now is 175.8 secs Computing kpt #: 192 total cpu time spent up to now is 176.2 secs Computing kpt #: 193 total cpu time spent up to now is 176.7 secs Computing kpt #: 194 total cpu time spent up to now is 177.1 secs Computing kpt #: 195 total cpu time spent up to now is 177.6 secs Computing kpt #: 196 total cpu time spent up to now is 178.1 secs Computing kpt #: 197 total cpu time spent up to now is 178.7 secs Computing kpt #: 198 total cpu time spent up to now is 179.2 secs Computing kpt #: 199 total cpu time spent up to now is 179.7 secs Computing kpt #: 200 total cpu time spent up to now is 180.1 secs Computing kpt #: 201 total cpu time spent up to now is 180.7 secs Computing kpt #: 202 total cpu time spent up to now is 181.1 secs Computing kpt #: 203 total cpu time spent up to now is 181.6 secs Computing kpt #: 204 total cpu time spent up to now is 182.2 secs Computing kpt #: 205 total cpu time spent up to now is 182.7 secs Computing kpt #: 206 total cpu time spent up to now is 183.3 secs Computing kpt #: 207 total cpu time spent up to now is 184.3 secs Computing kpt #: 208 total cpu time spent up to now is 185.2 secs Computing kpt #: 209 total cpu time spent up to now is 187.0 secs Computing kpt #: 210 total cpu time spent up to now is 188.5 secs Computing kpt #: 211 total cpu time spent up to now is 190.1 secs Computing kpt #: 212 total cpu time spent up to now is 192.6 secs Computing kpt #: 213 total cpu time spent up to now is 193.6 secs Computing kpt #: 214 total cpu time spent up to now is 194.5 secs Computing kpt #: 215 total cpu time spent up to now is 195.1 secs Computing kpt #: 216 total cpu time spent up to now is 195.6 secs Computing kpt #: 217 total cpu time spent up to now is 196.2 secs Computing kpt #: 218 total cpu time spent up to now is 196.8 secs Computing kpt #: 219 total cpu time spent up to now is 197.4 secs Computing kpt #: 220 total cpu time spent up to now is 198.0 secs Computing kpt #: 221 total cpu time spent up to now is 198.8 secs Computing kpt #: 222 total cpu time spent up to now is 200.0 secs Computing kpt #: 223 total cpu time spent up to now is 200.6 secs Computing kpt #: 224 total cpu time spent up to now is 201.1 secs Computing kpt #: 225 total cpu time spent up to now is 201.6 secs Computing kpt #: 226 total cpu time spent up to now is 202.2 secs Computing kpt #: 227 total cpu time spent up to now is 202.7 secs Computing kpt #: 228 total cpu time spent up to now is 203.3 secs Computing kpt #: 229 total cpu time spent up to now is 203.8 secs Computing kpt #: 230 total cpu time spent up to now is 204.4 secs Computing kpt #: 231 total cpu time spent up to now is 205.0 secs Computing kpt #: 232 total cpu time spent up to now is 205.5 secs Computing kpt #: 233 total cpu time spent up to now is 206.1 secs Computing kpt #: 234 total cpu time spent up to now is 206.6 secs Computing kpt #: 235 total cpu time spent up to now is 207.2 secs Computing kpt #: 236 total cpu time spent up to now is 208.0 secs Computing kpt #: 237 total cpu time spent up to now is 208.8 secs Computing kpt #: 238 total cpu time spent up to now is 209.7 secs Computing kpt #: 239 total cpu time spent up to now is 210.3 secs Computing kpt #: 240 total cpu time spent up to now is 210.9 secs Computing kpt #: 241 total cpu time spent up to now is 211.5 secs Computing kpt #: 242 total cpu time spent up to now is 212.1 secs Computing kpt #: 243 total cpu time spent up to now is 212.6 secs Computing kpt #: 244 total cpu time spent up to now is 213.2 secs Computing kpt #: 245 total cpu time spent up to now is 213.7 secs Computing kpt #: 246 total cpu time spent up to now is 214.2 secs Computing kpt #: 247 total cpu time spent up to now is 214.8 secs Computing kpt #: 248 total cpu time spent up to now is 215.4 secs Computing kpt #: 249 total cpu time spent up to now is 216.3 secs Computing kpt #: 250 total cpu time spent up to now is 217.1 secs Computing kpt #: 251 total cpu time spent up to now is 217.7 secs Computing kpt #: 252 total cpu time spent up to now is 218.3 secs Computing kpt #: 253 total cpu time spent up to now is 218.9 secs Computing kpt #: 254 total cpu time spent up to now is 219.5 secs Computing kpt #: 255 total cpu time spent up to now is 220.2 secs Computing kpt #: 256 total cpu time spent up to now is 221.3 secs Computing kpt #: 257 total cpu time spent up to now is 222.0 secs Computing kpt #: 258 total cpu time spent up to now is 223.3 secs Computing kpt #: 259 total cpu time spent up to now is 224.1 secs Computing kpt #: 260 total cpu time spent up to now is 224.8 secs Computing kpt #: 261 total cpu time spent up to now is 225.3 secs Computing kpt #: 262 total cpu time spent up to now is 225.8 secs Computing kpt #: 263 total cpu time spent up to now is 226.3 secs Computing kpt #: 264 total cpu time spent up to now is 226.9 secs Computing kpt #: 265 total cpu time spent up to now is 227.4 secs Computing kpt #: 266 total cpu time spent up to now is 227.9 secs Computing kpt #: 267 total cpu time spent up to now is 228.5 secs Computing kpt #: 268 total cpu time spent up to now is 229.0 secs Computing kpt #: 269 total cpu time spent up to now is 229.5 secs Computing kpt #: 270 total cpu time spent up to now is 230.0 secs Computing kpt #: 271 total cpu time spent up to now is 230.6 secs Computing kpt #: 272 total cpu time spent up to now is 231.0 secs Computing kpt #: 273 total cpu time spent up to now is 232.2 secs Computing kpt #: 274 total cpu time spent up to now is 233.3 secs Computing kpt #: 275 total cpu time spent up to now is 233.8 secs Computing kpt #: 276 total cpu time spent up to now is 234.3 secs Computing kpt #: 277 total cpu time spent up to now is 234.8 secs Computing kpt #: 278 total cpu time spent up to now is 235.3 secs Computing kpt #: 279 total cpu time spent up to now is 235.8 secs Computing kpt #: 280 total cpu time spent up to now is 236.4 secs Computing kpt #: 281 total cpu time spent up to now is 236.9 secs Computing kpt #: 282 total cpu time spent up to now is 237.5 secs Computing kpt #: 283 total cpu time spent up to now is 238.2 secs Computing kpt #: 284 total cpu time spent up to now is 239.0 secs Computing kpt #: 285 total cpu time spent up to now is 239.7 secs Computing kpt #: 286 total cpu time spent up to now is 240.3 secs Computing kpt #: 287 total cpu time spent up to now is 240.9 secs Computing kpt #: 288 total cpu time spent up to now is 241.5 secs Computing kpt #: 289 total cpu time spent up to now is 242.0 secs Computing kpt #: 290 total cpu time spent up to now is 242.6 secs Computing kpt #: 291 total cpu time spent up to now is 243.1 secs Computing kpt #: 292 total cpu time spent up to now is 243.7 secs Computing kpt #: 293 total cpu time spent up to now is 244.3 secs Computing kpt #: 294 total cpu time spent up to now is 244.8 secs Computing kpt #: 295 total cpu time spent up to now is 245.3 secs Computing kpt #: 296 total cpu time spent up to now is 245.8 secs Computing kpt #: 297 total cpu time spent up to now is 246.2 secs Computing kpt #: 298 total cpu time spent up to now is 246.7 secs Computing kpt #: 299 total cpu time spent up to now is 247.2 secs Computing kpt #: 300 total cpu time spent up to now is 247.6 secs Computing kpt #: 301 total cpu time spent up to now is 248.1 secs Computing kpt #: 302 total cpu time spent up to now is 248.5 secs Computing kpt #: 303 total cpu time spent up to now is 249.0 secs Computing kpt #: 304 total cpu time spent up to now is 249.5 secs Computing kpt #: 305 total cpu time spent up to now is 250.0 secs Computing kpt #: 306 total cpu time spent up to now is 250.5 secs Computing kpt #: 307 total cpu time spent up to now is 251.0 secs Computing kpt #: 308 total cpu time spent up to now is 251.6 secs Computing kpt #: 309 total cpu time spent up to now is 252.1 secs Computing kpt #: 310 total cpu time spent up to now is 252.6 secs Computing kpt #: 311 total cpu time spent up to now is 253.2 secs Computing kpt #: 312 total cpu time spent up to now is 253.7 secs Computing kpt #: 313 total cpu time spent up to now is 254.2 secs Computing kpt #: 314 total cpu time spent up to now is 254.7 secs Computing kpt #: 315 total cpu time spent up to now is 255.3 secs Computing kpt #: 316 total cpu time spent up to now is 255.9 secs Computing kpt #: 317 total cpu time spent up to now is 256.9 secs Computing kpt #: 318 total cpu time spent up to now is 257.7 secs Computing kpt #: 319 total cpu time spent up to now is 258.4 secs Computing kpt #: 320 total cpu time spent up to now is 259.0 secs Computing kpt #: 321 total cpu time spent up to now is 259.5 secs Computing kpt #: 322 total cpu time spent up to now is 259.9 secs Computing kpt #: 323 total cpu time spent up to now is 260.4 secs Computing kpt #: 324 total cpu time spent up to now is 260.9 secs Computing kpt #: 325 total cpu time spent up to now is 261.4 secs Computing kpt #: 326 total cpu time spent up to now is 261.8 secs Computing kpt #: 327 total cpu time spent up to now is 262.5 secs Computing kpt #: 328 total cpu time spent up to now is 263.1 secs Computing kpt #: 329 total cpu time spent up to now is 263.7 secs Computing kpt #: 330 total cpu time spent up to now is 264.3 secs Computing kpt #: 331 total cpu time spent up to now is 265.5 secs Computing kpt #: 332 total cpu time spent up to now is 266.9 secs Computing kpt #: 333 total cpu time spent up to now is 268.6 secs Computing kpt #: 334 total cpu time spent up to now is 270.6 secs Computing kpt #: 335 total cpu time spent up to now is 271.5 secs Computing kpt #: 336 total cpu time spent up to now is 272.1 secs Computing kpt #: 337 total cpu time spent up to now is 272.7 secs Computing kpt #: 338 total cpu time spent up to now is 273.3 secs Computing kpt #: 339 total cpu time spent up to now is 273.9 secs Computing kpt #: 340 total cpu time spent up to now is 274.8 secs Computing kpt #: 341 total cpu time spent up to now is 275.5 secs Computing kpt #: 342 total cpu time spent up to now is 276.2 secs Computing kpt #: 343 total cpu time spent up to now is 276.8 secs Computing kpt #: 344 total cpu time spent up to now is 277.4 secs Computing kpt #: 345 total cpu time spent up to now is 277.9 secs Computing kpt #: 346 total cpu time spent up to now is 278.5 secs Computing kpt #: 347 total cpu time spent up to now is 279.1 secs Computing kpt #: 348 total cpu time spent up to now is 280.1 secs Computing kpt #: 349 total cpu time spent up to now is 280.7 secs Computing kpt #: 350 total cpu time spent up to now is 281.3 secs Computing kpt #: 351 total cpu time spent up to now is 281.9 secs Computing kpt #: 352 total cpu time spent up to now is 282.4 secs Computing kpt #: 353 total cpu time spent up to now is 283.0 secs Computing kpt #: 354 total cpu time spent up to now is 283.6 secs Computing kpt #: 355 total cpu time spent up to now is 284.2 secs Computing kpt #: 356 total cpu time spent up to now is 284.7 secs Computing kpt #: 357 total cpu time spent up to now is 285.4 secs Computing kpt #: 358 total cpu time spent up to now is 286.4 secs Computing kpt #: 359 total cpu time spent up to now is 287.4 secs Computing kpt #: 360 total cpu time spent up to now is 288.4 secs Computing kpt #: 361 total cpu time spent up to now is 289.5 secs Computing kpt #: 362 total cpu time spent up to now is 290.4 secs Computing kpt #: 363 total cpu time spent up to now is 291.0 secs Computing kpt #: 364 total cpu time spent up to now is 291.6 secs Computing kpt #: 365 total cpu time spent up to now is 292.2 secs Computing kpt #: 366 total cpu time spent up to now is 292.7 secs Computing kpt #: 367 total cpu time spent up to now is 293.3 secs Computing kpt #: 368 total cpu time spent up to now is 293.9 secs Computing kpt #: 369 total cpu time spent up to now is 294.5 secs Computing kpt #: 370 total cpu time spent up to now is 295.1 secs Computing kpt #: 371 total cpu time spent up to now is 295.8 secs Computing kpt #: 372 total cpu time spent up to now is 296.4 secs Computing kpt #: 373 total cpu time spent up to now is 297.2 secs Computing kpt #: 374 total cpu time spent up to now is 297.8 secs ethr = 4.17E-11, avg # of iterations = 22.4 total cpu time spent up to now is 297.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7088 -25.7088 -6.0586 -6.0586 -4.6304 -4.6304 2.5333 2.5333 5.5052 5.5052 5.6448 5.6448 7.8763 7.8763 8.3552 8.3552 8.3612 8.3612 8.3619 8.3619 8.5189 8.5189 8.5531 8.5531 11.1116 11.1116 k = 0.0096 0.0056-0.0000 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7089 -25.7089 -6.0576 -6.0576 -4.6301 -4.6301 2.5346 2.5346 5.5041 5.5041 5.6437 5.6437 7.8717 7.8717 8.3124 8.3124 8.3345 8.3345 8.4081 8.4081 8.5174 8.5174 8.5744 8.5744 11.1095 11.1095 k = 0.0192 0.0111-0.0000 ( 2789 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7150 -25.7150 -25.7090 -25.7090 -6.0546 -6.0546 -4.6291 -4.6291 2.5387 2.5387 5.5005 5.5005 5.6404 5.6404 7.8574 7.8574 8.2624 8.2624 8.2864 8.2864 8.4452 8.4452 8.5269 8.5269 8.6161 8.6161 11.1032 11.1032 k = 0.0288 0.0167-0.0000 ( 2785 PWs) bands (ev): -49.7002 -49.7002 -26.3701 -26.3701 -25.7150 -25.7150 -25.7092 -25.7092 -6.0496 -6.0496 -4.6274 -4.6274 2.5453 2.5453 5.4939 5.4939 5.6356 5.6356 7.8316 7.8316 8.2055 8.2055 8.2350 8.2350 8.4638 8.4638 8.5564 8.5564 8.6622 8.6622 11.0925 11.0925 k = 0.0385 0.0222-0.0000 ( 2781 PWs) bands (ev): -49.7002 -49.7002 -26.3703 -26.3703 -25.7151 -25.7151 -25.7095 -25.7095 -6.0425 -6.0425 -4.6250 -4.6250 2.5547 2.5547 5.4838 5.4838 5.6301 5.6301 7.7920 7.7920 8.1371 8.1371 8.1943 8.1943 8.4684 8.4684 8.5990 8.5990 8.7078 8.7078 11.0769 11.0769 k = 0.0481 0.0278-0.0000 ( 2785 PWs) bands (ev): -49.7001 -49.7001 -26.3705 -26.3705 -25.7152 -25.7152 -25.7100 -25.7100 -6.0335 -6.0335 -4.6220 -4.6220 2.5667 2.5667 5.4693 5.4693 5.6249 5.6249 7.7367 7.7367 8.0644 8.0644 8.1623 8.1623 8.4674 8.4674 8.6455 8.6455 8.7515 8.7515 11.0565 11.0565 k = 0.0577 0.0333-0.0000 ( 2789 PWs) bands (ev): -49.7001 -49.7001 -26.3708 -26.3708 -25.7153 -25.7153 -25.7105 -25.7105 -6.0225 -6.0225 -4.6183 -4.6183 2.5813 2.5813 5.4498 5.4498 5.6207 5.6207 7.6650 7.6650 7.9916 7.9916 8.1365 8.1365 8.4637 8.4637 8.6919 8.6919 8.7931 8.7931 11.0319 11.0319 k = 0.0673 0.0389-0.0000 ( 2785 PWs) bands (ev): -49.7000 -49.7000 -26.3711 -26.3711 -25.7155 -25.7155 -25.7110 -25.7110 -6.0096 -6.0096 -4.6140 -4.6140 2.5986 2.5986 5.4253 5.4253 5.6181 5.6181 7.5781 7.5781 7.9207 7.9207 8.1148 8.1148 8.4583 8.4583 8.7367 8.7367 8.8330 8.8330 11.0042 11.0042 k = 0.0769 0.0444-0.0000 ( 2781 PWs) bands (ev): -49.6999 -49.6999 -26.3715 -26.3715 -25.7157 -25.7157 -25.7115 -25.7115 -5.9947 -5.9947 -4.6090 -4.6090 2.6184 2.6184 5.3960 5.3960 5.6172 5.6172 7.4778 7.4778 7.8521 7.8521 8.0952 8.0952 8.4515 8.4515 8.7791 8.7791 8.8714 8.8714 10.9751 10.9751 k = 0.0865 0.0500-0.0000 ( 2777 PWs) bands (ev): -49.6998 -49.6998 -26.3719 -26.3719 -25.7161 -25.7161 -25.7121 -25.7121 -5.9779 -5.9779 -4.6034 -4.6034 2.6409 2.6409 5.3623 5.3623 5.6177 5.6177 7.3667 7.3667 7.7858 7.7858 8.0756 8.0756 8.4435 8.4435 8.8187 8.8187 8.9088 8.9088 10.9461 10.9461 k = 0.0962 0.0555-0.0000 ( 2779 PWs) bands (ev): -49.6996 -49.6996 -26.3723 -26.3723 -25.7166 -25.7166 -25.7125 -25.7125 -5.9593 -5.9593 -4.5973 -4.5973 2.6659 2.6659 5.3247 5.3247 5.6195 5.6195 7.2469 7.2469 7.7213 7.7213 8.0547 8.0547 8.4345 8.4345 8.8554 8.8554 8.9453 8.9453 10.9188 10.9188 k = 0.1058 0.0611-0.0000 ( 2785 PWs) bands (ev): -49.6995 -49.6995 -26.3729 -26.3729 -25.7174 -25.7174 -25.7129 -25.7129 -5.9388 -5.9388 -4.5906 -4.5906 2.6934 2.6934 5.2838 5.2838 5.6223 5.6223 7.1204 7.1204 7.6582 7.6582 8.0310 8.0310 8.4245 8.4245 8.8894 8.8894 8.9809 8.9809 10.8945 10.8945 k = 0.1154 0.0666-0.0000 ( 2777 PWs) bands (ev): -49.6994 -49.6994 -26.3734 -26.3734 -25.7182 -25.7182 -25.7132 -25.7132 -5.9164 -5.9164 -4.5833 -4.5833 2.7234 2.7234 5.2401 5.2401 5.6259 5.6259 6.9887 6.9887 7.5965 7.5965 8.0036 8.0036 8.4135 8.4135 8.9210 8.9210 9.0152 9.0152 10.8740 10.8740 k = 0.1250 0.0722-0.0000 ( 2777 PWs) bands (ev): -49.6992 -49.6992 -26.3740 -26.3740 -25.7193 -25.7193 -25.7133 -25.7133 -5.8923 -5.8923 -4.5756 -4.5756 2.7558 2.7558 5.1939 5.1939 5.6301 5.6301 6.8529 6.8529 7.5360 7.5360 7.9719 7.9719 8.4018 8.4018 8.9508 8.9508 9.0480 9.0480 10.8582 10.8582 k = 0.1346 0.0777-0.0000 ( 2777 PWs) bands (ev): -49.6991 -49.6991 -26.3746 -26.3746 -25.7205 -25.7205 -25.7135 -25.7135 -5.8665 -5.8665 -4.5673 -4.5673 2.7907 2.7907 5.1458 5.1458 5.6348 5.6348 6.7141 6.7141 7.4767 7.4767 7.9353 7.9353 8.3893 8.3893 8.9791 8.9791 9.0789 9.0789 10.8474 10.8474 k = 0.1442 0.0833-0.0000 ( 2775 PWs) bands (ev): -49.6989 -49.6989 -26.3753 -26.3753 -25.7218 -25.7218 -25.7136 -25.7136 -5.8389 -5.8389 -4.5586 -4.5586 2.8279 2.8279 5.0960 5.0960 5.6399 5.6399 6.5732 6.5732 7.4186 7.4186 7.8937 7.8937 8.3762 8.3762 9.0064 9.0064 9.1077 9.1077 10.8419 10.8419 k = 0.1538 0.0888-0.0000 ( 2781 PWs) bands (ev): -49.6987 -49.6987 -26.3760 -26.3760 -25.7233 -25.7233 -25.7136 -25.7136 -5.8098 -5.8098 -4.5495 -4.5495 2.8674 2.8674 5.0447 5.0447 5.6452 5.6452 6.4308 6.4308 7.3616 7.3616 7.8468 7.8468 8.3626 8.3626 9.0329 9.0329 9.1342 9.1342 10.8416 10.8416 k = 0.1635 0.0944-0.0000 ( 2785 PWs) bands (ev): -49.6985 -49.6985 -26.3768 -26.3768 -25.7248 -25.7248 -25.7137 -25.7137 -5.7790 -5.7790 -4.5400 -4.5400 2.9092 2.9092 4.9922 4.9922 5.6506 5.6506 6.2878 6.2878 7.3060 7.3060 7.7948 7.7948 8.3486 8.3486 9.0588 9.0588 9.1584 9.1584 10.8464 10.8464 k = 0.1731 0.0999-0.0000 ( 2785 PWs) bands (ev): -49.6983 -49.6983 -26.3775 -26.3775 -25.7263 -25.7263 -25.7137 -25.7137 -5.7467 -5.7467 -4.5301 -4.5301 2.9532 2.9532 4.9387 4.9387 5.6559 5.6559 6.1447 6.1447 7.2516 7.2516 7.7380 7.7380 8.3342 8.3342 9.0843 9.0843 9.1801 9.1801 10.8559 10.8559 k = 0.1827 0.1055-0.0000 ( 2785 PWs) bands (ev): -49.6981 -49.6981 -26.3783 -26.3783 -25.7280 -25.7280 -25.7137 -25.7137 -5.7130 -5.7130 -4.5200 -4.5200 2.9993 2.9993 4.8843 4.8843 5.6611 5.6611 6.0024 6.0024 7.1986 7.1986 7.6767 7.6767 8.3195 8.3195 9.1094 9.1094 9.1994 9.1994 10.8697 10.8697 k = 0.1923 0.1110-0.0000 ( 2783 PWs) bands (ev): -49.6979 -49.6979 -26.3791 -26.3791 -25.7296 -25.7296 -25.7137 -25.7137 -5.6778 -5.6778 -4.5096 -4.5096 3.0474 3.0474 4.8290 4.8290 5.6657 5.6657 5.8617 5.8617 7.1470 7.1470 7.6112 7.6112 8.3047 8.3047 9.1341 9.1341 9.2167 9.2167 10.8872 10.8872 k = 0.2019 0.1166-0.0000 ( 2791 PWs) bands (ev): -49.6977 -49.6977 -26.3800 -26.3800 -25.7314 -25.7314 -25.7137 -25.7137 -5.6414 -5.6414 -4.4990 -4.4990 3.0975 3.0975 4.7727 4.7727 5.6671 5.6671 5.7259 5.7259 7.0969 7.0969 7.5422 7.5422 8.2897 8.2897 9.1582 9.1582 9.2320 9.2320 10.9079 10.9079 k = 0.2115 0.1221-0.0000 ( 2791 PWs) bands (ev): -49.6975 -49.6975 -26.3809 -26.3809 -25.7331 -25.7331 -25.7137 -25.7137 -5.6037 -5.6037 -4.4883 -4.4883 3.1494 3.1494 4.7152 4.7152 5.5813 5.5813 5.6795 5.6795 7.0482 7.0482 7.4702 7.4702 8.2747 8.2747 9.1815 9.1815 9.2460 9.2460 10.9310 10.9310 k = 0.2212 0.1277-0.0000 ( 2791 PWs) bands (ev): -49.6973 -49.6973 -26.3818 -26.3818 -25.7349 -25.7349 -25.7136 -25.7136 -5.5648 -5.5648 -4.4774 -4.4774 3.2031 3.2031 4.6564 4.6564 5.4497 5.4497 5.6821 5.6821 7.0009 7.0009 7.3957 7.3957 8.2596 8.2596 9.2032 9.2032 9.2595 9.2595 10.9559 10.9559 k = 0.2308 0.1332-0.0000 ( 2791 PWs) bands (ev): -49.6971 -49.6971 -26.3826 -26.3826 -25.7367 -25.7367 -25.7136 -25.7136 -5.5248 -5.5248 -4.4665 -4.4665 3.2584 3.2584 4.5958 4.5958 5.3213 5.3213 5.6853 5.6853 6.9549 6.9549 7.3193 7.3193 8.2445 8.2445 9.2220 9.2220 9.2739 9.2739 10.9819 10.9819 k = 0.2404 0.1388-0.0000 ( 2793 PWs) bands (ev): -49.6969 -49.6969 -26.3836 -26.3836 -25.7385 -25.7385 -25.7136 -25.7136 -5.4839 -5.4839 -4.4557 -4.4557 3.3152 3.3152 4.5328 4.5328 5.1981 5.1981 5.6883 5.6883 6.9100 6.9100 7.2418 7.2418 8.2295 8.2295 9.2367 9.2367 9.2907 9.2907 11.0085 11.0085 k = 0.2500 0.1443-0.0000 ( 2791 PWs) bands (ev): -49.6967 -49.6967 -26.3845 -26.3845 -25.7403 -25.7403 -25.7135 -25.7135 -5.4420 -5.4420 -4.4449 -4.4449 3.3732 3.3732 4.4668 4.4668 5.0815 5.0815 5.6906 5.6906 6.8659 6.8659 7.1640 7.1640 8.2146 8.2146 9.2469 9.2469 9.3104 9.3104 11.0349 11.0349 k = 0.2596 0.1499-0.0000 ( 2791 PWs) bands (ev): -49.6964 -49.6964 -26.3854 -26.3854 -25.7421 -25.7421 -25.7135 -25.7135 -5.3994 -5.3994 -4.4342 -4.4342 3.4322 3.4322 4.3969 4.3969 4.9729 4.9729 5.6923 5.6923 6.8221 6.8221 7.0869 7.0869 8.2000 8.2000 9.2536 9.2536 9.3321 9.3321 11.0605 11.0605 k = 0.2692 0.1554-0.0000 ( 2793 PWs) bands (ev): -49.6962 -49.6962 -26.3863 -26.3863 -25.7439 -25.7439 -25.7134 -25.7134 -5.3561 -5.3561 -4.4238 -4.4238 3.4918 3.4918 4.3228 4.3228 4.8735 4.8735 5.6933 5.6933 6.7775 6.7775 7.0118 7.0118 8.1855 8.1855 9.2577 9.2577 9.3549 9.3549 11.0850 11.0850 k = 0.2788 0.1610-0.0000 ( 2785 PWs) bands (ev): -49.6960 -49.6960 -26.3872 -26.3872 -25.7456 -25.7456 -25.7133 -25.7133 -5.3122 -5.3122 -4.4136 -4.4136 3.5513 3.5513 4.2446 4.2446 4.7838 4.7838 5.6934 5.6934 6.7307 6.7307 6.9407 6.9407 8.1713 8.1713 9.2602 9.2602 9.3782 9.3782 11.1077 11.1077 k = 0.2885 0.1665-0.0000 ( 2785 PWs) bands (ev): -49.6958 -49.6958 -26.3881 -26.3881 -25.7474 -25.7474 -25.7133 -25.7133 -5.2679 -5.2679 -4.4038 -4.4038 3.6095 3.6095 4.1635 4.1635 4.7042 4.7042 5.6928 5.6928 6.6796 6.6796 6.8759 6.8759 8.1574 8.1574 9.2615 9.2615 9.4014 9.4014 11.1284 11.1284 k = 0.2981 0.1721-0.0000 ( 2781 PWs) bands (ev): -49.6956 -49.6956 -26.3890 -26.3890 -25.7491 -25.7491 -25.7132 -25.7132 -5.2233 -5.2233 -4.3944 -4.3944 3.6637 3.6637 4.0830 4.0830 4.6341 4.6341 5.6914 5.6914 6.6223 6.6223 6.8196 6.8196 8.1439 8.1439 9.2619 9.2619 9.4243 9.4243 11.1465 11.1465 k = 0.3077 0.1776-0.0000 ( 2781 PWs) bands (ev): -49.6954 -49.6954 -26.3899 -26.3899 -25.7507 -25.7507 -25.7132 -25.7132 -5.1784 -5.1784 -4.3855 -4.3855 3.7066 3.7066 4.0115 4.0115 4.5727 4.5727 5.6892 5.6892 6.5583 6.5583 6.7726 6.7726 8.1307 8.1307 9.2617 9.2617 9.4467 9.4467 11.1620 11.1620 k = 0.3173 0.1832-0.0000 ( 2773 PWs) bands (ev): -49.6951 -49.6951 -26.3907 -26.3907 -25.7523 -25.7523 -25.7131 -25.7131 -5.1335 -5.1335 -4.3772 -4.3772 3.7196 3.7196 3.9688 3.9688 4.5187 4.5187 5.6863 5.6863 6.4887 6.4887 6.7338 6.7338 8.1180 8.1180 9.2611 9.2611 9.4684 9.4684 11.1744 11.1744 k = 0.3269 0.1887-0.0000 ( 2783 PWs) bands (ev): -49.6950 -49.6950 -26.3916 -26.3916 -25.7540 -25.7540 -25.7130 -25.7130 -5.0887 -5.0887 -4.3696 -4.3696 3.6836 3.6836 3.9751 3.9751 4.4713 4.4713 5.6826 5.6826 6.4156 6.4156 6.7014 6.7014 8.1057 8.1057 9.2602 9.2602 9.4892 9.4892 11.1837 11.1837 k = 0.3365 0.1943-0.0000 ( 2773 PWs) bands (ev): -49.6948 -49.6948 -26.3924 -26.3924 -25.7555 -25.7555 -25.7130 -25.7130 -5.0441 -5.0441 -4.3627 -4.3627 3.6143 3.6143 4.0156 4.0156 4.4298 4.4298 5.6782 5.6782 6.3406 6.3406 6.6740 6.6740 8.0939 8.0939 9.2591 9.2591 9.5089 9.5089 11.1898 11.1898 k = 0.3462 0.1999-0.0000 ( 2765 PWs) bands (ev): -49.6946 -49.6946 -26.3932 -26.3932 -25.7569 -25.7569 -25.7129 -25.7129 -4.9998 -4.9998 -4.3567 -4.3567 3.5328 3.5328 4.0693 4.0693 4.3940 4.3940 5.6733 5.6733 6.2649 6.2649 6.6504 6.6504 8.0826 8.0826 9.2580 9.2580 9.5274 9.5274 11.1928 11.1928 k = 0.3558 0.2054-0.0000 ( 2770 PWs) bands (ev): -49.6944 -49.6944 -26.3940 -26.3940 -25.7583 -25.7583 -25.7128 -25.7128 -4.9561 -4.9561 -4.3516 -4.3516 3.4485 3.4485 4.1263 4.1263 4.3647 4.3647 5.6678 5.6678 6.1892 6.1892 6.6298 6.6298 8.0719 8.0719 9.2568 9.2568 9.5446 9.5446 11.1926 11.1926 k = 0.3654 0.2110-0.0000 ( 2774 PWs) bands (ev): -49.6942 -49.6942 -26.3947 -26.3947 -25.7597 -25.7597 -25.7128 -25.7128 -4.9130 -4.9130 -4.3475 -4.3475 3.3650 3.3650 4.1793 4.1793 4.3456 4.3456 5.6618 5.6618 6.1140 6.1140 6.6119 6.6119 8.0617 8.0617 9.2557 9.2557 9.5603 9.5603 11.1897 11.1897 k = 0.3750 0.2165-0.0000 ( 2776 PWs) bands (ev): -49.6941 -49.6941 -26.3955 -26.3955 -25.7610 -25.7610 -25.7127 -25.7127 -4.8707 -4.8707 -4.3446 -4.3446 3.2841 3.2841 4.2158 4.2158 4.3476 4.3476 5.6554 5.6554 6.0399 6.0399 6.5962 6.5962 8.0522 8.0522 9.2547 9.2547 9.5745 9.5745 11.1844 11.1844 k = 0.3846 0.2221-0.0000 ( 2778 PWs) bands (ev): -49.6939 -49.6939 -26.3961 -26.3961 -25.7622 -25.7622 -25.7127 -25.7127 -4.8293 -4.8293 -4.3428 -4.3428 3.2068 3.2068 4.2235 4.2235 4.3818 4.3818 5.6485 5.6485 5.9670 5.9670 6.5824 6.5824 8.0432 8.0432 9.2539 9.2539 9.5870 9.5870 11.1771 11.1771 k = 0.3942 0.2276-0.0000 ( 2784 PWs) bands (ev): -49.6938 -49.6938 -26.3968 -26.3968 -25.7634 -25.7634 -25.7127 -25.7127 -4.7890 -4.7890 -4.3424 -4.3424 3.1339 3.1339 4.2140 4.2140 4.4362 4.4362 5.6412 5.6412 5.8958 5.8958 6.5704 6.5704 8.0349 8.0349 9.2531 9.2531 9.5979 9.5979 11.1683 11.1683 k = 0.4038 0.2332-0.0000 ( 2784 PWs) bands (ev): -49.6936 -49.6936 -26.3974 -26.3974 -25.7644 -25.7644 -25.7126 -25.7126 -4.7500 -4.7500 -4.3433 -4.3433 3.0660 3.0660 4.1997 4.1997 4.4980 4.4980 5.6329 5.6329 5.8268 5.8268 6.5599 6.5599 8.0272 8.0272 9.2525 9.2525 9.6072 9.6072 11.1585 11.1585 k = 0.4135 0.2387-0.0000 ( 2786 PWs) bands (ev): -49.6935 -49.6935 -26.3979 -26.3979 -25.7653 -25.7653 -25.7126 -25.7126 -4.7124 -4.7124 -4.3457 -4.3457 3.0034 3.0034 4.1848 4.1848 4.5623 4.5623 5.6225 5.6225 5.7614 5.7614 6.5508 6.5508 8.0202 8.0202 9.2520 9.2520 9.6149 9.6149 11.1482 11.1482 k = 0.4231 0.2443-0.0000 ( 2792 PWs) bands (ev): -49.6934 -49.6934 -26.3984 -26.3984 -25.7662 -25.7662 -25.7126 -25.7126 -4.6762 -4.6762 -4.3496 -4.3496 2.9465 2.9465 4.1709 4.1709 4.6276 4.6276 5.6060 5.6060 5.7034 5.7034 6.5431 6.5431 8.0139 8.0139 9.2517 9.2517 9.6211 9.6211 11.1379 11.1379 k = 0.4327 0.2498-0.0000 ( 2790 PWs) bands (ev): -49.6933 -49.6933 -26.3988 -26.3988 -25.7670 -25.7670 -25.7125 -25.7125 -4.6417 -4.6417 -4.3552 -4.3552 2.8956 2.8956 4.1583 4.1583 4.6931 4.6931 5.5740 5.5740 5.6626 5.6626 6.5365 6.5365 8.0083 8.0083 9.2514 9.2514 9.6259 9.6259 11.1279 11.1279 k = 0.4423 0.2554-0.0000 ( 2788 PWs) bands (ev): -49.6932 -49.6932 -26.3992 -26.3992 -25.7676 -25.7676 -25.7125 -25.7125 -4.6090 -4.6090 -4.3624 -4.3624 2.8510 2.8510 4.1474 4.1474 4.7584 4.7584 5.5232 5.5232 5.6421 5.6421 6.5309 6.5309 8.0034 8.0034 9.2512 9.2512 9.6295 9.6295 11.1187 11.1187 k = 0.4519 0.2609-0.0000 ( 2788 PWs) bands (ev): -49.6932 -49.6932 -26.3995 -26.3995 -25.7682 -25.7682 -25.7125 -25.7125 -4.5781 -4.5781 -4.3714 -4.3714 2.8129 2.8129 4.1381 4.1381 4.8234 4.8234 5.4638 5.4638 5.6318 5.6318 6.5264 6.5264 7.9993 7.9993 9.2511 9.2511 9.6322 9.6322 11.1105 11.1105 k = 0.4615 0.2665-0.0000 ( 2792 PWs) bands (ev): -49.6931 -49.6931 -26.3998 -26.3998 -25.7687 -25.7687 -25.7125 -25.7125 -4.5493 -4.5493 -4.3821 -4.3821 2.7814 2.7814 4.1306 4.1306 4.8878 4.8878 5.4020 5.4020 5.6255 5.6255 6.5227 6.5227 7.9958 7.9958 9.2510 9.2510 9.6340 9.6340 11.1035 11.1035 k = 0.4712 0.2720-0.0000 ( 2782 PWs) bands (ev): -49.6931 -49.6931 -26.4000 -26.4000 -25.7690 -25.7690 -25.7124 -25.7124 -4.5228 -4.5228 -4.3944 -4.3944 2.7568 2.7568 4.1247 4.1247 4.9516 4.9516 5.3397 5.3397 5.6212 5.6212 6.5199 6.5199 7.9932 7.9932 9.2510 9.2510 9.6352 9.6352 11.0980 11.0980 k = 0.4808 0.2776-0.0000 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4001 -26.4001 -25.7693 -25.7693 -25.7124 -25.7124 -4.4990 -4.4990 -4.4080 -4.4080 2.7392 2.7392 4.1205 4.1205 5.0142 5.0142 5.2779 5.2779 5.6184 5.6184 6.5180 6.5180 7.9913 7.9913 9.2510 9.2510 9.6359 9.6359 11.0939 11.0939 k = 0.4904 0.2831-0.0000 ( 2778 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7694 -25.7694 -25.7124 -25.7124 -4.4793 -4.4793 -4.4214 -4.4214 2.7285 2.7285 4.1180 4.1180 5.0738 5.0738 5.2188 5.2188 5.6168 5.6168 6.5168 6.5168 7.9901 7.9901 9.2510 9.2510 9.6362 9.6362 11.0915 11.0915 k = 0.5000 0.2887-0.0000 ( 2778 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7695 -25.7695 -25.7124 -25.7124 -4.4700 -4.4700 -4.4287 -4.4287 2.7250 2.7250 4.1172 4.1172 5.1114 5.1114 5.1813 5.1813 5.6163 5.6163 6.5165 6.5165 7.9897 7.9897 9.2510 9.2510 9.6364 9.6364 11.0907 11.0907 k = 0.5000 0.2887-0.0000 ( 2778 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7695 -25.7695 -25.7124 -25.7124 -4.4700 -4.4700 -4.4287 -4.4287 2.7250 2.7250 4.1172 4.1172 5.1114 5.1114 5.1813 5.1813 5.6163 5.6163 6.5165 6.5165 7.9897 7.9897 9.2510 9.2510 9.6364 9.6364 11.0907 11.0907 k = 0.4944 0.2983-0.0000 ( 2784 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.4698 -4.4698 -4.4283 -4.4283 2.7262 2.7262 4.1171 4.1171 5.1117 5.1117 5.1803 5.1803 5.6174 5.6174 6.5057 6.5057 7.9978 7.9978 9.2511 9.2511 9.6359 9.6359 11.0900 11.0900 k = 0.4889 0.3079-0.0000 ( 2784 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.4690 -4.4690 -4.4271 -4.4271 2.7300 2.7300 4.1166 4.1166 5.1123 5.1123 5.1774 5.1774 5.6208 5.6208 6.4741 6.4741 8.0214 8.0214 9.2517 9.2517 9.6347 9.6347 11.0882 11.0882 k = 0.4833 0.3175-0.0000 ( 2780 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7126 -25.7126 -4.4676 -4.4676 -4.4252 -4.4252 2.7362 2.7362 4.1159 4.1159 5.1130 5.1130 5.1732 5.1732 5.6260 5.6260 6.4240 6.4240 8.0582 8.0582 9.2526 9.2526 9.6326 9.6326 11.0851 11.0851 k = 0.4778 0.3272-0.0000 ( 2780 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7127 -25.7127 -4.4658 -4.4658 -4.4226 -4.4226 2.7448 2.7448 4.1148 4.1148 5.1131 5.1131 5.1687 5.1687 5.6326 5.6326 6.3583 6.3583 8.1056 8.1056 9.2539 9.2539 9.6297 9.6297 11.0807 11.0807 k = 0.4722 0.3368-0.0000 ( 2780 PWs) bands (ev): -49.6929 -49.6929 -26.4004 -26.4004 -25.7694 -25.7694 -25.7129 -25.7129 -4.4634 -4.4634 -4.4192 -4.4192 2.7560 2.7560 4.1134 4.1134 5.1118 5.1118 5.1651 5.1651 5.6401 5.6401 6.2801 6.2801 8.1606 8.1606 9.2557 9.2557 9.6261 9.6261 11.0749 11.0749 k = 0.4667 0.3464-0.0000 ( 2782 PWs) bands (ev): -49.6929 -49.6929 -26.4005 -26.4005 -25.7695 -25.7695 -25.7132 -25.7132 -4.4605 -4.4605 -4.4152 -4.4152 2.7695 2.7695 4.1115 4.1115 5.1081 5.1081 5.1639 5.1639 5.6478 5.6478 6.1925 6.1925 8.2206 8.2206 9.2580 9.2580 9.6218 9.6218 11.0675 11.0675 k = 0.4611 0.3560-0.0000 ( 2786 PWs) bands (ev): -49.6929 -49.6929 -26.4006 -26.4006 -25.7695 -25.7695 -25.7134 -25.7134 -4.4571 -4.4571 -4.4105 -4.4105 2.7856 2.7856 4.1091 4.1091 5.1018 5.1018 5.1654 5.1654 5.6549 5.6549 6.0983 6.0983 8.2835 8.2835 9.2609 9.2609 9.6167 9.6167 11.0583 11.0583 k = 0.4556 0.3657-0.0000 ( 2784 PWs) bands (ev): -49.6929 -49.6929 -26.4006 -26.4006 -25.7695 -25.7695 -25.7137 -25.7137 -4.4533 -4.4533 -4.4053 -4.4053 2.8040 2.8040 4.1062 4.1062 5.0935 5.0935 5.1694 5.1694 5.6600 5.6600 6.0003 6.0003 8.3474 8.3474 9.2645 9.2645 9.6111 9.6111 11.0467 11.0467 k = 0.4500 0.3753-0.0000 ( 2778 PWs) bands (ev): -49.6928 -49.6928 -26.4007 -26.4007 -25.7694 -25.7694 -25.7140 -25.7140 -4.4490 -4.4490 -4.3994 -4.3994 2.8247 2.8247 4.1027 4.1027 5.0843 5.0843 5.1750 5.1750 5.6607 5.6607 5.9026 5.9026 8.4112 8.4112 9.2689 9.2689 9.6050 9.6050 11.0308 11.0308 k = 0.4444 0.3849-0.0000 ( 2774 PWs) bands (ev): -49.6928 -49.6928 -26.4008 -26.4008 -25.7694 -25.7694 -25.7144 -25.7144 -4.4442 -4.4442 -4.3931 -4.3931 2.8479 2.8479 4.0986 4.0986 5.0746 5.0746 5.1814 5.1814 5.6496 5.6496 5.8138 5.8138 8.4737 8.4737 9.2741 9.2741 9.5984 9.5984 11.0022 11.0022 k = 0.4389 0.3945-0.0000 ( 2774 PWs) bands (ev): -49.6928 -49.6928 -26.4009 -26.4009 -25.7694 -25.7694 -25.7147 -25.7147 -4.4391 -4.4391 -4.3864 -4.3864 2.8733 2.8733 4.0938 4.0938 5.0648 5.0648 5.1876 5.1876 5.6078 5.6078 5.7545 5.7545 8.5341 8.5341 9.2803 9.2803 9.5916 9.5916 10.9503 10.9503 k = 0.4333 0.4041-0.0000 ( 2774 PWs) bands (ev): -49.6927 -49.6927 -26.4010 -26.4010 -25.7694 -25.7694 -25.7151 -25.7151 -4.4335 -4.4335 -4.3793 -4.3793 2.9010 2.9010 4.0882 4.0882 5.0547 5.0547 5.1924 5.1924 5.5309 5.5309 5.7316 5.7316 8.5918 8.5918 9.2876 9.2876 9.5846 9.5846 10.8882 10.8882 k = 0.4278 0.4138-0.0000 ( 2778 PWs) bands (ev): -49.6927 -49.6927 -26.4011 -26.4011 -25.7695 -25.7695 -25.7155 -25.7155 -4.4276 -4.4276 -4.3719 -4.3719 2.9309 2.9309 4.0818 4.0818 5.0431 5.0431 5.1929 5.1929 5.4448 5.4448 5.7236 5.7236 8.6464 8.6464 9.2959 9.2959 9.5776 9.5776 10.8257 10.8257 k = 0.4222 0.4234-0.0000 ( 2776 PWs) bands (ev): -49.6926 -49.6926 -26.4013 -26.4013 -25.7695 -25.7695 -25.7159 -25.7159 -4.4214 -4.4214 -4.3644 -4.3644 2.9630 2.9630 4.0748 4.0748 5.0268 5.0268 5.1834 5.1834 5.3703 5.3703 5.7192 5.7192 8.6974 8.6974 9.3054 9.3054 9.5707 9.5707 10.7652 10.7652 k = 0.4167 0.4330-0.0000 ( 2776 PWs) bands (ev): -49.6926 -49.6926 -26.4014 -26.4014 -25.7695 -25.7695 -25.7163 -25.7163 -4.4149 -4.4149 -4.3568 -4.3568 2.9972 2.9972 4.0669 4.0669 4.9981 4.9981 5.1588 5.1588 5.3243 5.3243 5.7150 5.7150 8.7446 8.7446 9.3161 9.3161 9.5642 9.5642 10.7080 10.7080 k = 0.4111 0.4426-0.0000 ( 2780 PWs) bands (ev): -49.6925 -49.6925 -26.4015 -26.4015 -25.7696 -25.7696 -25.7167 -25.7167 -4.4081 -4.4081 -4.3492 -4.3492 3.0334 3.0334 4.0583 4.0583 4.9457 4.9457 5.1314 5.1314 5.3073 5.3073 5.7098 5.7098 8.7877 8.7877 9.3279 9.3279 9.5583 9.5583 10.6547 10.6547 k = 0.4056 0.4523-0.0000 ( 2782 PWs) bands (ev): -49.6925 -49.6925 -26.4017 -26.4017 -25.7697 -25.7697 -25.7171 -25.7171 -4.4011 -4.4011 -4.3417 -4.3417 3.0716 3.0716 4.0491 4.0491 4.8694 4.8694 5.1163 5.1163 5.3052 5.3052 5.7030 5.7030 8.8266 8.8266 9.3409 9.3409 9.5531 9.5531 10.6055 10.6055 k = 0.4000 0.4619-0.0000 ( 2790 PWs) bands (ev): -49.6924 -49.6924 -26.4019 -26.4019 -25.7698 -25.7698 -25.7175 -25.7175 -4.3939 -4.3939 -4.3344 -4.3344 3.1117 3.1117 4.0392 4.0392 4.7802 4.7802 5.1121 5.1121 5.3091 5.3091 5.6947 5.6947 8.8611 8.8611 9.3548 9.3548 9.5488 9.5488 10.5611 10.5611 k = 0.3944 0.4715-0.0000 ( 2798 PWs) bands (ev): -49.6924 -49.6924 -26.4020 -26.4020 -25.7699 -25.7699 -25.7179 -25.7179 -4.3866 -4.3866 -4.3274 -4.3274 3.1535 3.1535 4.0288 4.0288 4.6863 4.6863 5.1147 5.1147 5.3151 5.3151 5.6847 5.6847 8.8913 8.8913 9.3696 9.3696 9.5455 9.5455 10.5215 10.5215 k = 0.3889 0.4811-0.0000 ( 2798 PWs) bands (ev): -49.6924 -49.6924 -26.4022 -26.4022 -25.7699 -25.7699 -25.7183 -25.7183 -4.3792 -4.3792 -4.3209 -4.3209 3.1969 3.1969 4.0178 4.0178 4.5919 4.5919 5.1218 5.1218 5.3216 5.3216 5.6732 5.6732 8.9170 8.9170 9.3850 9.3850 9.5433 9.5433 10.4872 10.4872 k = 0.3833 0.4907-0.0000 ( 2794 PWs) bands (ev): -49.6923 -49.6923 -26.4023 -26.4023 -25.7700 -25.7700 -25.7185 -25.7185 -4.3717 -4.3717 -4.3150 -4.3150 3.2418 3.2418 4.0064 4.0064 4.4994 4.4994 5.1323 5.1323 5.3278 5.3278 5.6604 5.6604 8.9386 8.9386 9.4008 9.4008 9.5423 9.5423 10.4583 10.4583 k = 0.3778 0.5004-0.0000 ( 2794 PWs) bands (ev): -49.6923 -49.6923 -26.4024 -26.4024 -25.7701 -25.7701 -25.7188 -25.7188 -4.3642 -4.3642 -4.3098 -4.3098 3.2879 3.2879 3.9943 3.9943 4.4102 4.4102 5.1456 5.1456 5.3329 5.3329 5.6465 5.6465 8.9561 8.9561 9.4167 9.4167 9.5422 9.5422 10.4351 10.4351 k = 0.3722 0.5100-0.0000 ( 2794 PWs) bands (ev): -49.6922 -49.6922 -26.4025 -26.4025 -25.7702 -25.7702 -25.7191 -25.7191 -4.3567 -4.3567 -4.3054 -4.3054 3.3349 3.3349 3.9816 3.9816 4.3257 4.3257 5.1611 5.1611 5.3367 5.3367 5.6318 5.6318 8.9699 8.9699 9.4322 9.4322 9.5430 9.5430 10.4178 10.4178 k = 0.3667 0.5196-0.0000 ( 2798 PWs) bands (ev): -49.6922 -49.6922 -26.4027 -26.4027 -25.7703 -25.7703 -25.7193 -25.7193 -4.3493 -4.3493 -4.3019 -4.3019 3.3824 3.3824 3.9677 3.9677 4.2474 4.2474 5.1785 5.1785 5.3388 5.3388 5.6167 5.6167 8.9804 8.9804 9.4471 9.4471 9.5443 9.5443 10.4065 10.4065 k = 0.3611 0.5292-0.0000 ( 2798 PWs) bands (ev): -49.6922 -49.6922 -26.4028 -26.4028 -25.7703 -25.7703 -25.7195 -25.7195 -4.3420 -4.3420 -4.2996 -4.2996 3.4296 3.4296 3.9519 3.9519 4.1771 4.1771 5.1974 5.1974 5.3389 5.3389 5.6016 5.6016 8.9881 8.9881 9.4608 9.4608 9.5459 9.5459 10.4016 10.4016 k = 0.3556 0.5389-0.0000 ( 2798 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3349 -4.3349 -4.2985 -4.2985 3.4755 3.4755 3.9332 3.9332 4.1175 4.1175 5.2171 5.2171 5.3369 5.3369 5.5871 5.5871 8.9935 8.9935 9.4731 9.4731 9.5474 9.5474 10.4029 10.4029 k = 0.3500 0.5485-0.0000 ( 2798 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7198 -25.7198 -4.3280 -4.3280 -4.2987 -4.2987 3.5183 3.5183 3.9108 3.9108 4.0714 4.0714 5.2370 5.2370 5.3329 5.3329 5.5739 5.5739 8.9970 8.9970 9.4834 9.4834 9.5485 9.5485 10.4106 10.4106 k = 0.3444 0.5581-0.0000 ( 2794 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3214 -4.3214 -4.3003 -4.3003 3.5548 3.5548 3.8867 3.8867 4.0404 4.0404 5.2558 5.2558 5.3270 5.3270 5.5628 5.5628 8.9990 8.9990 9.4913 9.4913 9.5492 9.5492 10.4244 10.4244 k = 0.3389 0.5677-0.0000 ( 2790 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3153 -4.3153 -4.3033 -4.3033 3.5801 3.5801 3.8674 3.8674 4.0231 4.0231 5.2710 5.2710 5.3207 5.3207 5.5550 5.5550 9.0001 9.0001 9.4963 9.4963 9.5494 9.5494 10.4442 10.4442 k = 0.3333 0.5774-0.0000 ( 2790 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3111 -4.3111 -4.3065 -4.3065 3.5890 3.5890 3.8603 3.8603 4.0174 4.0174 5.2776 5.2776 5.3174 5.3174 5.5521 5.5521 9.0004 9.0004 9.4981 9.4981 9.5494 9.5494 10.4654 10.4654 k = 0.3333 0.5774-0.0000 ( 2790 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3111 -4.3111 -4.3065 -4.3065 3.5890 3.5890 3.8603 3.8603 4.0174 4.0174 5.2776 5.2776 5.3174 5.3174 5.5521 5.5521 9.0004 9.0004 9.4981 9.4981 9.5494 9.5494 10.4654 10.4654 k = 0.3278 0.5677-0.0000 ( 2792 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3159 -4.3159 -4.3027 -4.3027 3.5812 3.5812 3.8661 3.8661 4.0234 4.0234 5.2711 5.2711 5.3201 5.3201 5.5555 5.5555 9.0001 9.0001 9.4963 9.4963 9.5495 9.5495 10.4426 10.4426 k = 0.3222 0.5581-0.0000 ( 2794 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3243 -4.3243 -4.2977 -4.2977 3.5621 3.5621 3.8779 3.8779 4.0423 4.0423 5.2556 5.2556 5.3238 5.3238 5.5664 5.5664 8.9994 8.9994 9.4910 9.4910 9.5496 9.5496 10.4178 10.4178 k = 0.3167 0.5485-0.0000 ( 2794 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7704 -25.7704 -25.7198 -25.7198 -4.3348 -4.3348 -4.2930 -4.2930 3.5385 3.5385 3.8889 3.8889 4.0745 4.0745 5.2348 5.2348 5.3249 5.3249 5.5850 5.5850 8.9982 8.9982 9.4828 9.4828 9.5497 9.5497 10.3954 10.3954 k = 0.3111 0.5389-0.0000 ( 2798 PWs) bands (ev): -49.6922 -49.6922 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3474 -4.3474 -4.2888 -4.2888 3.5147 3.5147 3.8969 3.8969 4.1177 4.1177 5.2095 5.2095 5.3232 5.3232 5.6104 5.6104 8.9964 8.9964 9.4724 9.4724 9.5496 9.5496 10.3754 10.3754 k = 0.3056 0.5292-0.0000 ( 2804 PWs) bands (ev): -49.6922 -49.6922 -26.4027 -26.4027 -25.7702 -25.7702 -25.7196 -25.7196 -4.3621 -4.3621 -4.2852 -4.2852 3.4935 3.4935 3.9028 3.9028 4.1685 4.1685 5.1803 5.1803 5.3200 5.3200 5.6414 5.6414 8.9935 8.9935 9.4607 9.4607 9.5492 9.5492 10.3577 10.3577 k = 0.3000 0.5196-0.0000 ( 2804 PWs) bands (ev): -49.6922 -49.6922 -26.4026 -26.4026 -25.7700 -25.7700 -25.7195 -25.7195 -4.3788 -4.3788 -4.2820 -4.2820 3.4762 3.4762 3.9078 3.9078 4.2242 4.2242 5.1473 5.1473 5.3166 5.3166 5.6768 5.6768 8.9893 8.9893 9.4486 9.4486 9.5484 9.5484 10.3424 10.3424 k = 0.2944 0.5100-0.0000 ( 2796 PWs) bands (ev): -49.6923 -49.6923 -26.4023 -26.4023 -25.7697 -25.7697 -25.7193 -25.7193 -4.3977 -4.3977 -4.2795 -4.2795 3.4637 3.4637 3.9127 3.9127 4.2829 4.2829 5.1106 5.1106 5.3138 5.3138 5.7158 5.7158 8.9832 8.9832 9.4370 9.4370 9.5473 9.5473 10.3290 10.3290 k = 0.2889 0.5004-0.0000 ( 2792 PWs) bands (ev): -49.6923 -49.6923 -26.4021 -26.4021 -25.7693 -25.7693 -25.7191 -25.7191 -4.4188 -4.4188 -4.2776 -4.2776 3.4565 3.4565 3.9181 3.9181 4.3433 4.3433 5.0705 5.0705 5.3125 5.3125 5.7577 5.7577 8.9747 8.9747 9.4269 9.4269 9.5458 9.5458 10.3175 10.3175 k = 0.2833 0.4907-0.0000 ( 2788 PWs) bands (ev): -49.6924 -49.6924 -26.4018 -26.4018 -25.7689 -25.7689 -25.7189 -25.7189 -4.4419 -4.4419 -4.2763 -4.2763 3.4549 3.4549 3.9244 3.9244 4.4045 4.4045 5.0276 5.0276 5.3133 5.3133 5.8021 5.8021 8.9633 8.9633 9.4190 9.4190 9.5439 9.5439 10.3076 10.3076 k = 0.2778 0.4811-0.0000 ( 2788 PWs) bands (ev): -49.6925 -49.6925 -26.4015 -26.4015 -25.7685 -25.7685 -25.7187 -25.7187 -4.4672 -4.4672 -4.2757 -4.2757 3.4592 3.4592 3.9316 3.9316 4.4653 4.4653 4.9825 4.9825 5.3165 5.3165 5.8487 5.8487 8.9488 8.9488 9.4139 9.4139 9.5417 9.5417 10.2990 10.2990 k = 0.2722 0.4715-0.0000 ( 2784 PWs) bands (ev): -49.6926 -49.6926 -26.4011 -26.4011 -25.7680 -25.7680 -25.7184 -25.7184 -4.4945 -4.4945 -4.2758 -4.2758 3.4694 3.4694 3.9401 3.9401 4.5245 4.5245 4.9365 4.9365 5.3224 5.3224 5.8971 5.8971 8.9309 8.9309 9.4120 9.4120 9.5392 9.5392 10.2917 10.2917 k = 0.2667 0.4619-0.0000 ( 2788 PWs) bands (ev): -49.6927 -49.6927 -26.4008 -26.4008 -25.7675 -25.7675 -25.7182 -25.7182 -4.5238 -4.5238 -4.2766 -4.2766 3.4855 3.4855 3.9498 3.9498 4.5793 4.5793 4.8922 4.8922 5.3312 5.3312 5.9472 5.9472 8.9100 8.9100 9.4131 9.4131 9.5364 9.5364 10.2854 10.2854 k = 0.2611 0.4523-0.0000 ( 2780 PWs) bands (ev): -49.6928 -49.6928 -26.4003 -26.4003 -25.7668 -25.7668 -25.7180 -25.7180 -4.5550 -4.5550 -4.2781 -4.2781 3.5077 3.5077 3.9608 3.9608 4.6233 4.6233 4.8560 4.8560 5.3432 5.3432 5.9990 5.9990 8.8863 8.8863 9.4170 9.4170 9.5333 9.5333 10.2801 10.2801 k = 0.2556 0.4426-0.0000 ( 2784 PWs) bands (ev): -49.6929 -49.6929 -26.3999 -26.3999 -25.7661 -25.7661 -25.7178 -25.7178 -4.5880 -4.5880 -4.2803 -4.2803 3.5359 3.5359 3.9731 3.9731 4.6419 4.6419 4.8425 4.8425 5.3584 5.3584 6.0522 6.0522 8.8604 8.8604 9.4231 9.4231 9.5300 9.5300 10.2757 10.2757 k = 0.2500 0.4330-0.0000 ( 2780 PWs) bands (ev): -49.6930 -49.6930 -26.3994 -26.3994 -25.7653 -25.7653 -25.7176 -25.7176 -4.6228 -4.6228 -4.2831 -4.2831 3.5699 3.5699 3.9867 3.9867 4.6239 4.6239 4.8631 4.8631 5.3769 5.3769 6.1067 6.1067 8.8328 8.8328 9.4309 9.4309 9.5264 9.5264 10.2723 10.2723 k = 0.2444 0.4234-0.0000 ( 2772 PWs) bands (ev): -49.6931 -49.6931 -26.3988 -26.3988 -25.7644 -25.7644 -25.7173 -25.7173 -4.6591 -4.6591 -4.2867 -4.2867 3.6098 3.6098 4.0016 4.0016 4.5809 4.5809 4.9061 4.9061 5.3989 5.3989 6.1626 6.1626 8.8040 8.8040 9.4395 9.4395 9.5227 9.5227 10.2700 10.2700 k = 0.2389 0.4138-0.0000 ( 2778 PWs) bands (ev): -49.6933 -49.6933 -26.3983 -26.3983 -25.7635 -25.7635 -25.7171 -25.7171 -4.6970 -4.6970 -4.2910 -4.2910 3.6554 3.6554 4.0175 4.0175 4.5269 4.5269 4.9579 4.9579 5.4243 5.4243 6.2197 6.2197 8.7747 8.7747 9.4482 9.4482 9.5189 9.5189 10.2689 10.2689 k = 0.2333 0.4041-0.0000 ( 2778 PWs) bands (ev): -49.6934 -49.6934 -26.3977 -26.3977 -25.7626 -25.7626 -25.7169 -25.7169 -4.7363 -4.7363 -4.2959 -4.2959 3.7066 3.7066 4.0344 4.0344 4.4682 4.4682 5.0125 5.0125 5.4532 5.4532 6.2779 6.2779 8.7452 8.7452 9.4560 9.4560 9.5154 9.5154 10.2693 10.2693 k = 0.2278 0.3945-0.0000 ( 2782 PWs) bands (ev): -49.6936 -49.6936 -26.3970 -26.3970 -25.7616 -25.7616 -25.7167 -25.7167 -4.7768 -4.7768 -4.3015 -4.3015 3.7632 3.7632 4.0515 4.0515 4.4076 4.4076 5.0675 5.0675 5.4857 5.4857 6.3373 6.3373 8.7159 8.7159 9.4619 9.4619 9.5125 9.5125 10.2712 10.2712 k = 0.2222 0.3849-0.0000 ( 2784 PWs) bands (ev): -49.6937 -49.6937 -26.3964 -26.3964 -25.7605 -25.7605 -25.7165 -25.7165 -4.8185 -4.8185 -4.3077 -4.3077 3.8251 3.8251 4.0678 4.0678 4.3478 4.3478 5.1217 5.1217 5.5216 5.5216 6.3976 6.3976 8.6873 8.6873 9.4648 9.4648 9.5107 9.5107 10.2750 10.2750 k = 0.2167 0.3753-0.0000 ( 2788 PWs) bands (ev): -49.6939 -49.6939 -26.3957 -26.3957 -25.7593 -25.7593 -25.7163 -25.7163 -4.8611 -4.8611 -4.3145 -4.3145 3.8919 3.8919 4.0802 4.0802 4.2924 4.2924 5.1746 5.1746 5.5610 5.5610 6.4589 6.4589 8.6596 8.6596 9.4643 9.4643 9.5101 9.5101 10.2810 10.2810 k = 0.2111 0.3657-0.0000 ( 2784 PWs) bands (ev): -49.6941 -49.6941 -26.3949 -26.3949 -25.7580 -25.7580 -25.7161 -25.7161 -4.9045 -4.9045 -4.3219 -4.3219 3.9633 3.9633 4.0810 4.0810 4.2498 4.2498 5.2257 5.2257 5.6038 5.6038 6.5211 6.5211 8.6332 8.6332 9.4604 9.4604 9.5100 9.5100 10.2893 10.2893 k = 0.2056 0.3560-0.0000 ( 2786 PWs) bands (ev): -49.6943 -49.6943 -26.3941 -26.3941 -25.7568 -25.7568 -25.7159 -25.7159 -4.9487 -4.9487 -4.3299 -4.3299 4.0362 4.0362 4.0610 4.0610 4.2327 4.2327 5.2746 5.2746 5.6500 5.6500 6.5841 6.5841 8.6082 8.6082 9.4541 9.4541 9.5093 9.5093 10.3002 10.3002 k = 0.2000 0.3464-0.0000 ( 2780 PWs) bands (ev): -49.6945 -49.6945 -26.3933 -26.3933 -25.7554 -25.7554 -25.7158 -25.7158 -4.9933 -4.9933 -4.3383 -4.3383 4.0103 4.0103 4.1194 4.1194 4.2419 4.2419 5.3212 5.3212 5.6995 5.6995 6.6479 6.6479 8.5848 8.5848 9.4459 9.4459 9.5070 9.5070 10.3138 10.3138 k = 0.1944 0.3368-0.0000 ( 2772 PWs) bands (ev): -49.6947 -49.6947 -26.3925 -26.3925 -25.7539 -25.7539 -25.7155 -25.7155 -5.0384 -5.0384 -4.3473 -4.3473 3.9526 3.9526 4.1965 4.1965 4.2705 4.2705 5.3653 5.3653 5.7523 5.7523 6.7123 6.7123 8.5631 8.5631 9.4362 9.4362 9.5027 9.5027 10.3302 10.3302 k = 0.1889 0.3272-0.0000 ( 2772 PWs) bands (ev): -49.6949 -49.6949 -26.3916 -26.3916 -25.7525 -25.7525 -25.7154 -25.7154 -5.0838 -5.0838 -4.3567 -4.3567 3.8898 3.8898 4.2573 4.2573 4.3266 4.3266 5.4066 5.4066 5.8081 5.8081 6.7774 6.7774 8.5433 8.5433 9.4252 9.4252 9.4961 9.4961 10.3494 10.3494 k = 0.1833 0.3175-0.0000 ( 2780 PWs) bands (ev): -49.6951 -49.6951 -26.3908 -26.3908 -25.7510 -25.7510 -25.7153 -25.7153 -5.1292 -5.1292 -4.3664 -4.3664 3.8250 3.8250 4.2985 4.2985 4.4105 4.4105 5.4452 5.4452 5.8669 5.8669 6.8429 6.8429 8.5254 8.5254 9.4130 9.4130 9.4871 9.4871 10.3713 10.3713 k = 0.1778 0.3079-0.0000 ( 2780 PWs) bands (ev): -49.6953 -49.6953 -26.3899 -26.3899 -25.7494 -25.7494 -25.7151 -25.7151 -5.1747 -5.1747 -4.3766 -4.3766 3.7595 3.7595 4.3353 4.3353 4.5055 4.5055 5.4810 5.4810 5.9286 5.9286 6.9088 6.9088 8.5095 8.5095 9.3997 9.3997 9.4758 9.4758 10.3958 10.3958 k = 0.1722 0.2983-0.0000 ( 2782 PWs) bands (ev): -49.6955 -49.6955 -26.3890 -26.3890 -25.7479 -25.7479 -25.7150 -25.7150 -5.2200 -5.2200 -4.3870 -4.3870 3.6940 3.6940 4.3722 4.3722 4.6060 4.6060 5.5141 5.5141 5.9930 5.9930 6.9751 6.9751 8.4956 8.4956 9.3854 9.3854 9.4623 9.4623 10.4228 10.4228 k = 0.1667 0.2887-0.0000 ( 2782 PWs) bands (ev): -49.6957 -49.6957 -26.3881 -26.3881 -25.7462 -25.7462 -25.7149 -25.7149 -5.2651 -5.2651 -4.3977 -4.3977 3.6291 3.6291 4.4104 4.4104 4.7105 4.7105 5.5445 5.5445 6.0600 6.0600 7.0415 7.0415 8.4835 8.4835 9.3699 9.3699 9.4468 9.4468 10.4520 10.4520 k = 0.1611 0.2791-0.0000 ( 2785 PWs) bands (ev): -49.6960 -49.6960 -26.3872 -26.3872 -25.7446 -25.7446 -25.7148 -25.7148 -5.3098 -5.3098 -4.4086 -4.4086 3.5649 3.5649 4.4501 4.4501 4.8181 4.8181 5.5726 5.5726 6.1294 6.1294 7.1079 7.1079 8.4734 8.4734 9.3534 9.3534 9.4296 9.4296 10.4833 10.4833 k = 0.1556 0.2694-0.0000 ( 2789 PWs) bands (ev): -49.6962 -49.6962 -26.3863 -26.3863 -25.7429 -25.7429 -25.7147 -25.7147 -5.3540 -5.3540 -4.4197 -4.4197 3.5017 3.5017 4.4911 4.4911 4.9282 4.9282 5.5986 5.5986 6.2012 6.2012 7.1742 7.1742 8.4650 8.4650 9.3358 9.3358 9.4108 9.4108 10.5163 10.5163 k = 0.1500 0.2598-0.0000 ( 2789 PWs) bands (ev): -49.6964 -49.6964 -26.3854 -26.3854 -25.7412 -25.7412 -25.7146 -25.7146 -5.3976 -5.3976 -4.4310 -4.4310 3.4396 3.4396 4.5335 4.5335 5.0399 5.0399 5.6233 5.6233 6.2750 6.2750 7.2402 7.2402 8.4583 8.4583 9.3171 9.3171 9.3908 9.3908 10.5508 10.5508 k = 0.1444 0.2502-0.0000 ( 2785 PWs) bands (ev): -49.6966 -49.6966 -26.3844 -26.3844 -25.7395 -25.7395 -25.7145 -25.7145 -5.4405 -5.4405 -4.4423 -4.4423 3.3789 3.3789 4.5771 4.5771 5.1519 5.1519 5.6478 5.6478 6.3507 6.3507 7.3056 7.3056 8.4532 8.4532 9.2973 9.2973 9.3697 9.3697 10.5866 10.5866 k = 0.1389 0.2406-0.0000 ( 2785 PWs) bands (ev): -49.6969 -49.6969 -26.3835 -26.3835 -25.7378 -25.7378 -25.7144 -25.7144 -5.4825 -5.4825 -4.4536 -4.4536 3.3196 3.3196 4.6220 4.6220 5.2620 5.2620 5.6742 5.6742 6.4281 6.4281 7.3704 7.3704 8.4495 8.4495 9.2765 9.2765 9.3478 9.3478 10.6233 10.6233 k = 0.1333 0.2309-0.0000 ( 2793 PWs) bands (ev): -49.6971 -49.6971 -26.3827 -26.3827 -25.7361 -25.7361 -25.7144 -25.7144 -5.5236 -5.5236 -4.4649 -4.4649 3.2619 3.2619 4.6680 4.6680 5.3659 5.3659 5.7066 5.7066 6.5071 6.5071 7.4341 7.4341 8.4470 8.4470 9.2546 9.2546 9.3251 9.3251 10.6608 10.6608 k = 0.1278 0.2213-0.0000 ( 2793 PWs) bands (ev): -49.6973 -49.6973 -26.3818 -26.3818 -25.7344 -25.7344 -25.7143 -25.7143 -5.5637 -5.5637 -4.4761 -4.4761 3.2059 3.2059 4.7149 4.7149 5.4562 5.4562 5.7526 5.7526 6.5873 6.5873 7.4966 7.4966 8.4457 8.4457 9.2316 9.2316 9.3019 9.3019 10.6987 10.6987 k = 0.1222 0.2117-0.0000 ( 2793 PWs) bands (ev): -49.6975 -49.6975 -26.3809 -26.3809 -25.7327 -25.7327 -25.7143 -25.7143 -5.6028 -5.6028 -4.4872 -4.4872 3.1517 3.1517 4.7627 4.7627 5.5237 5.5237 5.8210 5.8210 6.6687 6.6687 7.5575 7.5575 8.4454 8.4454 9.2077 9.2077 9.2781 9.2781 10.7367 10.7367 k = 0.1167 0.2021-0.0000 ( 2793 PWs) bands (ev): -49.6977 -49.6977 -26.3800 -26.3800 -25.7310 -25.7310 -25.7142 -25.7142 -5.6406 -5.6406 -4.4982 -4.4982 3.0993 3.0993 4.8111 4.8111 5.5666 5.5666 5.9138 5.9138 6.7511 6.7511 7.6166 7.6166 8.4459 8.4459 9.1829 9.1829 9.2539 9.2539 10.7744 10.7744 k = 0.1111 0.1925-0.0000 ( 2789 PWs) bands (ev): -49.6979 -49.6979 -26.3792 -26.3792 -25.7293 -25.7293 -25.7141 -25.7141 -5.6772 -5.6772 -4.5090 -4.5090 3.0489 3.0489 4.8601 4.8601 5.5918 5.5918 6.0237 6.0237 6.8341 6.8341 7.6733 7.6733 8.4470 8.4470 9.1572 9.1572 9.2292 9.2292 10.8116 10.8116 k = 0.1056 0.1828-0.0000 ( 2789 PWs) bands (ev): -49.6981 -49.6981 -26.3783 -26.3783 -25.7277 -25.7277 -25.7141 -25.7141 -5.7124 -5.7124 -4.5195 -4.5195 3.0005 3.0005 4.9094 4.9094 5.6066 5.6066 6.1436 6.1436 6.9176 6.9176 7.7275 7.7275 8.4487 8.4487 9.1306 9.1306 9.2041 9.2041 10.8476 10.8476 k = 0.1000 0.1732-0.0000 ( 2785 PWs) bands (ev): -49.6983 -49.6983 -26.3775 -26.3775 -25.7261 -25.7261 -25.7140 -25.7140 -5.7462 -5.7462 -4.5298 -4.5298 2.9542 2.9542 4.9589 4.9589 5.6152 5.6152 6.2688 6.2688 7.0014 7.0014 7.7787 7.7787 8.4508 8.4508 9.1034 9.1034 9.1783 9.1783 10.8816 10.8816 k = 0.0944 0.1636-0.0000 ( 2781 PWs) bands (ev): -49.6985 -49.6985 -26.3767 -26.3767 -25.7246 -25.7246 -25.7139 -25.7139 -5.7786 -5.7786 -4.5397 -4.5397 2.9100 2.9100 5.0083 5.0083 5.6201 5.6201 6.3970 6.3970 7.0853 7.0853 7.8265 7.8265 8.4532 8.4532 9.0753 9.0753 9.1519 9.1519 10.9114 10.9114 k = 0.0889 0.1540-0.0000 ( 2785 PWs) bands (ev): -49.6987 -49.6987 -26.3760 -26.3760 -25.7231 -25.7231 -25.7138 -25.7138 -5.8094 -5.8094 -4.5493 -4.5493 2.8681 2.8681 5.0573 5.0573 5.6224 5.6224 6.5265 6.5265 7.1692 7.1692 7.8707 7.8707 8.4558 8.4558 9.0465 9.0465 9.1248 9.1248 10.9301 10.9301 k = 0.0833 0.1443-0.0000 ( 2781 PWs) bands (ev): -49.6989 -49.6989 -26.3753 -26.3753 -25.7217 -25.7217 -25.7137 -25.7137 -5.8386 -5.8386 -4.5584 -4.5584 2.8285 2.8285 5.1057 5.1057 5.6231 5.6231 6.6564 6.6564 7.2528 7.2528 7.9110 7.9110 8.4586 8.4586 9.0167 9.0167 9.0969 9.0969 10.9313 10.9313 k = 0.0778 0.1347-0.0000 ( 2777 PWs) bands (ev): -49.6991 -49.6991 -26.3746 -26.3746 -25.7204 -25.7204 -25.7136 -25.7136 -5.8662 -5.8662 -4.5672 -4.5672 2.7912 2.7912 5.1532 5.1532 5.6225 5.6225 6.7856 6.7856 7.3360 7.3360 7.9473 7.9473 8.4613 8.4613 8.9860 8.9860 9.0681 9.0681 10.9260 10.9260 k = 0.0722 0.1251-0.0000 ( 2781 PWs) bands (ev): -49.6992 -49.6992 -26.3740 -26.3740 -25.7192 -25.7192 -25.7135 -25.7135 -5.8921 -5.8921 -4.5754 -4.5754 2.7562 2.7562 5.1994 5.1994 5.6213 5.6213 6.9132 6.9132 7.4188 7.4188 7.9795 7.9795 8.4640 8.4640 8.9541 8.9541 9.0384 9.0384 10.9232 10.9232 k = 0.0667 0.1155-0.0000 ( 2785 PWs) bands (ev): -49.6994 -49.6994 -26.3734 -26.3734 -25.7182 -25.7182 -25.7133 -25.7133 -5.9162 -5.9162 -4.5832 -4.5832 2.7237 2.7237 5.2440 5.2440 5.6197 5.6197 7.0385 7.0385 7.5010 7.5010 8.0078 8.0078 8.4667 8.4667 8.9208 8.9208 9.0076 9.0076 10.9256 10.9256 k = 0.0611 0.1058-0.0000 ( 2775 PWs) bands (ev): -49.6995 -49.6995 -26.3728 -26.3728 -25.7173 -25.7173 -25.7129 -25.7129 -5.9386 -5.9386 -4.5905 -4.5905 2.6936 2.6936 5.2865 5.2865 5.6181 5.6181 7.1603 7.1603 7.5826 7.5826 8.0324 8.0324 8.4691 8.4691 8.8860 8.8860 8.9757 8.9757 10.9336 10.9336 k = 0.0556 0.0962-0.0000 ( 2783 PWs) bands (ev): -49.6996 -49.6996 -26.3724 -26.3724 -25.7166 -25.7166 -25.7126 -25.7126 -5.9591 -5.9591 -4.5972 -4.5972 2.6661 2.6661 5.3265 5.3265 5.6167 5.6167 7.2775 7.2775 7.6637 7.6637 8.0541 8.0541 8.4713 8.4713 8.8495 8.8495 8.9425 8.9425 10.9471 10.9471 k = 0.0500 0.0866-0.0000 ( 2787 PWs) bands (ev): -49.6998 -49.6998 -26.3719 -26.3719 -25.7161 -25.7161 -25.7121 -25.7121 -5.9778 -5.9778 -4.6034 -4.6034 2.6410 2.6410 5.3634 5.3634 5.6160 5.6160 7.3888 7.3888 7.7444 7.7444 8.0735 8.0735 8.4733 8.4733 8.8111 8.8111 8.9081 8.9081 10.9653 10.9653 k = 0.0444 0.0770-0.0000 ( 2791 PWs) bands (ev): -49.6999 -49.6999 -26.3715 -26.3715 -25.7157 -25.7157 -25.7116 -25.7116 -5.9946 -5.9946 -4.6090 -4.6090 2.6186 2.6186 5.3966 5.3966 5.6162 5.6162 7.4925 7.4925 7.8248 7.8248 8.0918 8.0918 8.4750 8.4750 8.7707 8.7707 8.8721 8.8721 10.9871 10.9871 k = 0.0389 0.0674-0.0000 ( 2791 PWs) bands (ev): -49.7000 -49.7000 -26.3711 -26.3711 -25.7155 -25.7155 -25.7110 -25.7110 -6.0095 -6.0095 -4.6139 -4.6139 2.5987 2.5987 5.4256 5.4256 5.6176 5.6176 7.5866 7.5866 7.9049 7.9049 8.1105 8.1105 8.4762 8.4762 8.7285 8.7285 8.8344 8.8344 11.0110 11.0110 k = 0.0333 0.0577-0.0000 ( 2783 PWs) bands (ev): -49.7001 -49.7001 -26.3708 -26.3708 -25.7153 -25.7153 -25.7105 -25.7105 -6.0225 -6.0225 -4.6183 -4.6183 2.5814 2.5814 5.4499 5.4499 5.6205 5.6205 7.6692 7.6692 7.9846 7.9846 8.1315 8.1315 8.4769 8.4769 8.6847 8.6847 8.7947 8.7947 11.0352 11.0352 k = 0.0278 0.0481-0.0000 ( 2789 PWs) bands (ev): -49.7001 -49.7001 -26.3705 -26.3705 -25.7152 -25.7152 -25.7100 -25.7100 -6.0335 -6.0335 -4.6220 -4.6220 2.5667 2.5667 5.4693 5.4693 5.6248 5.6248 7.7382 7.7382 8.0632 8.0632 8.1569 8.1569 8.4765 8.4765 8.6398 8.6398 8.7528 8.7528 11.0578 11.0578 k = 0.0222 0.0385-0.0000 ( 2785 PWs) bands (ev): -49.7002 -49.7002 -26.3703 -26.3703 -25.7151 -25.7151 -25.7096 -25.7096 -6.0425 -6.0425 -4.6250 -4.6250 2.5547 2.5547 5.4838 5.4838 5.6300 5.6300 7.7923 7.7923 8.1393 8.1393 8.1889 8.1889 8.4742 8.4742 8.5951 8.5951 8.7086 8.7086 11.0772 11.0772 k = 0.0167 0.0289-0.0000 ( 2785 PWs) bands (ev): -49.7002 -49.7002 -26.3701 -26.3701 -25.7150 -25.7150 -25.7092 -25.7092 -6.0495 -6.0495 -4.6274 -4.6274 2.5454 2.5454 5.4939 5.4939 5.6356 5.6356 7.8316 7.8316 8.2087 8.2087 8.2304 8.2304 8.4667 8.4667 8.5543 8.5543 8.6626 8.6626 11.0925 11.0925 k = 0.0111 0.0192-0.0000 ( 2785 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7150 -25.7150 -25.7090 -25.7090 -6.0546 -6.0546 -4.6291 -4.6291 2.5387 2.5387 5.5005 5.5005 5.6404 5.6404 7.8574 7.8574 8.2632 8.2632 8.2851 8.2851 8.4460 8.4460 8.5264 8.5264 8.6163 8.6163 11.1032 11.1032 k = 0.0056 0.0096-0.0000 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7089 -25.7089 -6.0576 -6.0576 -4.6301 -4.6301 2.5346 2.5346 5.5041 5.5041 5.6437 5.6437 7.8717 7.8717 8.3124 8.3124 8.3344 8.3344 8.4081 8.4081 8.5174 8.5174 8.5744 8.5744 11.1095 11.1095 k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7088 -25.7088 -6.0586 -6.0586 -4.6304 -4.6304 2.5333 2.5333 5.5052 5.5052 5.6448 5.6448 7.8763 7.8763 8.3552 8.3552 8.3612 8.3612 8.3619 8.3619 8.5189 8.5189 8.5531 8.5531 11.1116 11.1116 k = 0.0000 0.0000 0.0000 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7088 -25.7088 -6.0586 -6.0586 -4.6304 -4.6304 2.5333 2.5333 5.5052 5.5052 5.6448 5.6448 7.8763 7.8763 8.3552 8.3552 8.3612 8.3612 8.3619 8.3619 8.5189 8.5189 8.5531 8.5531 11.1116 11.1116 k = 0.0000 0.0000 0.0109 ( 2793 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7088 -25.7088 -6.0578 -6.0578 -4.6319 -4.6319 2.5366 2.5366 5.5054 5.5054 5.6450 5.6450 7.8671 7.8671 8.3459 8.3459 8.3590 8.3590 8.3611 8.3611 8.5182 8.5182 8.5678 8.5678 11.1127 11.1127 k = 0.0000 0.0000 0.0218 ( 2792 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7150 -25.7150 -25.7088 -25.7088 -6.0553 -6.0553 -4.6363 -4.6363 2.5465 2.5465 5.5060 5.5060 5.6455 5.6455 7.8395 7.8395 8.3190 8.3190 8.3582 8.3582 8.3609 8.3609 8.5158 8.5158 8.6030 8.6030 11.1160 11.1160 k = 0.0000 0.0000 0.0327 ( 2816 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7089 -25.7089 -6.0511 -6.0511 -4.6436 -4.6436 2.5630 2.5630 5.5069 5.5069 5.6463 5.6463 7.7940 7.7940 8.2882 8.2882 8.3579 8.3579 8.3605 8.3605 8.5120 8.5120 8.6465 8.6465 11.1214 11.1214 k = 0.0000 0.0000 0.0436 ( 2816 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7089 -25.7089 -6.0454 -6.0454 -4.6537 -4.6537 2.5859 2.5859 5.5081 5.5081 5.6475 5.6475 7.7317 7.7317 8.2596 8.2596 8.3576 8.3576 8.3600 8.3600 8.5067 8.5067 8.6920 8.6920 11.1288 11.1288 k = 0.0000 0.0000 0.0546 ( 2816 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7089 -25.7089 -6.0380 -6.0380 -4.6665 -4.6665 2.6152 2.6152 5.5097 5.5097 5.6489 5.6489 7.6548 7.6548 8.2346 8.2346 8.3573 8.3573 8.3594 8.3594 8.5001 8.5001 8.7366 8.7366 11.1382 11.1382 k = 0.0000 0.0000 0.0655 ( 2828 PWs) bands (ev): -49.7003 -49.7003 -26.3701 -26.3701 -25.7153 -25.7153 -25.7089 -25.7089 -6.0289 -6.0289 -4.6820 -4.6820 2.6508 2.6508 5.5116 5.5116 5.6507 5.6507 7.5657 7.5657 8.2128 8.2128 8.3568 8.3568 8.3586 8.3586 8.4923 8.4923 8.7790 8.7790 11.1493 11.1493 k = 0.0000 0.0000 0.0764 ( 2816 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7089 -25.7089 -6.0184 -6.0184 -4.7000 -4.7000 2.6925 2.6925 5.5138 5.5138 5.6527 5.6527 7.4668 7.4668 8.1933 8.1933 8.3563 8.3563 8.3577 8.3577 8.4833 8.4833 8.8185 8.8185 11.1622 11.1622 k = 0.0000 0.0000 0.0873 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7088 -25.7088 -6.0062 -6.0062 -4.7203 -4.7203 2.7400 2.7400 5.5162 5.5162 5.6550 5.6550 7.3599 7.3599 8.1755 8.1755 8.3557 8.3557 8.3567 8.3567 8.4734 8.4734 8.8549 8.8549 11.1764 11.1764 k = 0.0000 0.0000 0.0982 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7088 -25.7088 -5.9926 -5.9926 -4.7428 -4.7428 2.7933 2.7933 5.5189 5.5189 5.6575 5.6575 7.2466 7.2466 8.1588 8.1588 8.3550 8.3550 8.3556 8.3556 8.4626 8.4626 8.8881 8.8881 11.1920 11.1920 k = 0.0000 0.0000 0.1091 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7088 -25.7088 -5.9776 -5.9776 -4.7673 -4.7673 2.8521 2.8521 5.5218 5.5218 5.6601 5.6601 7.1282 7.1282 8.1428 8.1428 8.3542 8.3542 8.3543 8.3543 8.4513 8.4513 8.9182 8.9182 11.2085 11.2085 k = 0.0000 0.0000 0.1200 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.9611 -5.9611 -4.7937 -4.7937 2.9161 2.9161 5.5248 5.5248 5.6629 5.6629 7.0058 7.0058 8.1273 8.1273 8.3530 8.3530 8.3534 8.3534 8.4395 8.4395 8.9453 8.9453 11.2259 11.2259 k = 0.0000 0.0000 0.1309 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.9433 -5.9433 -4.8216 -4.8216 2.9850 2.9850 5.5280 5.5280 5.6658 5.6658 6.8802 6.8802 8.1122 8.1122 8.3515 8.3515 8.3525 8.3525 8.4274 8.4274 8.9697 8.9697 11.2439 11.2439 k = 0.0000 0.0000 0.1418 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.9243 -5.9243 -4.8509 -4.8509 3.0585 3.0585 5.5312 5.5312 5.6688 5.6688 6.7522 6.7522 8.0975 8.0975 8.3499 8.3499 8.3516 8.3516 8.4153 8.4153 8.9914 8.9914 11.2621 11.2621 k = 0.0000 0.0000 0.1528 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.9042 -5.9042 -4.8814 -4.8814 3.1363 3.1363 5.5345 5.5345 5.6719 5.6719 6.6227 6.6227 8.0832 8.0832 8.3481 8.3481 8.3507 8.3507 8.4033 8.4033 9.0107 9.0107 11.2805 11.2805 k = 0.0000 0.0000 0.1637 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.8830 -5.8830 -4.9127 -4.9127 3.2180 3.2180 5.5377 5.5377 5.6749 5.6749 6.4922 6.4922 8.0694 8.0694 8.3460 8.3460 8.3497 8.3497 8.3918 8.3918 9.0279 9.0279 11.2988 11.2988 k = 0.0000 0.0000 0.1746 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.8610 -5.8610 -4.9446 -4.9446 3.3030 3.3030 5.5409 5.5409 5.6779 5.6779 6.3616 6.3616 8.0562 8.0562 8.3435 8.3435 8.3488 8.3488 8.3811 8.3811 9.0430 9.0430 11.3166 11.3166 k = 0.0000 0.0000 0.1855 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.8382 -5.8382 -4.9768 -4.9768 3.3910 3.3910 5.5439 5.5439 5.6807 5.6807 6.2316 6.2316 8.0437 8.0437 8.3403 8.3403 8.3478 8.3478 8.3717 8.3717 9.0562 9.0562 11.3338 11.3338 k = 0.0000 0.0000 0.1964 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.8150 -5.8150 -5.0089 -5.0089 3.4811 3.4811 5.5468 5.5468 5.6835 5.6835 6.1031 6.1031 8.0320 8.0320 8.3360 8.3360 8.3470 8.3470 8.3640 8.3640 9.0678 9.0678 11.3501 11.3501 k = 0.0000 0.0000 0.2073 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.7916 -5.7916 -5.0407 -5.0407 3.5726 3.5726 5.5494 5.5494 5.6861 5.6861 5.9771 5.9771 8.0213 8.0213 8.3306 8.3306 8.3461 8.3461 8.3583 8.3583 9.0778 9.0778 11.3654 11.3654 k = 0.0000 0.0000 0.2182 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.7684 -5.7684 -5.0715 -5.0715 3.6644 3.6644 5.5516 5.5516 5.6885 5.6885 5.8548 5.8548 8.0115 8.0115 8.3244 8.3244 8.3453 8.3453 8.3543 8.3543 9.0863 9.0863 11.3794 11.3794 k = 0.0000 0.0000 0.2291 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.7458 -5.7458 -5.1009 -5.1009 3.7551 3.7551 5.5529 5.5529 5.6906 5.6906 5.7381 5.7381 8.0028 8.0028 8.3180 8.3180 8.3446 8.3446 8.3517 8.3517 9.0935 9.0935 11.3919 11.3919 k = 0.0000 0.0000 0.2401 ( 2810 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7153 -25.7153 -25.7088 -25.7088 -5.7244 -5.7244 -5.1281 -5.1281 3.8427 3.8427 5.5512 5.5512 5.6314 5.6314 5.6925 5.6925 7.9953 7.9953 8.3120 8.3120 8.3440 8.3440 8.3498 8.3498 9.0995 9.0995 11.4029 11.4029 k = 0.0000 0.0000 0.2510 ( 2816 PWs) bands (ev): -49.7003 -49.7003 -26.3701 -26.3701 -25.7154 -25.7154 -25.7088 -25.7088 -5.7048 -5.7048 -5.1526 -5.1526 3.9245 3.9245 5.5139 5.5139 5.5697 5.5697 5.6941 5.6941 7.9890 7.9890 8.3067 8.3067 8.3435 8.3435 8.3485 8.3485 9.1043 9.1043 11.4120 11.4120 k = 0.0000 0.0000 0.2619 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.6881 -5.6881 -5.1732 -5.1732 3.9969 3.9969 5.4335 5.4335 5.5644 5.5644 5.6953 5.6953 7.9841 7.9841 8.3025 8.3025 8.3431 8.3431 8.3475 8.3475 9.1079 9.1079 11.4192 11.4192 k = 0.0000 0.0000 0.2728 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.6751 -5.6751 -5.1889 -5.1889 4.0549 4.0549 5.3662 5.3662 5.5641 5.5641 5.6962 5.6962 7.9806 7.9806 8.2994 8.2994 8.3428 8.3428 8.3469 8.3469 9.1105 9.1105 11.4245 11.4245 k = 0.0000 0.0000 0.2837 ( 2786 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7152 -25.7152 -25.7086 -25.7086 -5.6668 -5.6668 -5.1989 -5.1989 4.0931 4.0931 5.3222 5.3222 5.5642 5.5642 5.6968 5.6968 7.9784 7.9784 8.2975 8.2975 8.3426 8.3426 8.3465 8.3465 9.1120 9.1120 11.4276 11.4276 k = 0.0000 0.0000 0.2946 ( 2786 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7152 -25.7152 -25.7086 -25.7086 -5.6640 -5.6640 -5.2023 -5.2023 4.1064 4.1064 5.3069 5.3069 5.5643 5.5643 5.6969 5.6969 7.9777 7.9777 8.2968 8.2968 8.3426 8.3426 8.3464 8.3464 9.1125 9.1125 11.4287 11.4287 k = 0.0000 0.0000 0.2946 ( 2786 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7152 -25.7152 -25.7086 -25.7086 -5.6640 -5.6640 -5.2023 -5.2023 4.1064 4.1064 5.3069 5.3069 5.5643 5.5643 5.6969 5.6969 7.9777 7.9777 8.2968 8.2968 8.3426 8.3426 8.3464 8.3464 9.1125 9.1125 11.4287 11.4287 k = 0.0096 0.0056 0.2946 ( 2794 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.6630 -5.6630 -5.2018 -5.2018 4.1074 4.1074 5.2934 5.2934 5.5719 5.5719 5.7025 5.7025 7.9628 7.9628 8.2495 8.2495 8.3564 8.3564 8.3838 8.3838 9.1186 9.1186 11.4246 11.4246 k = 0.0192 0.0111 0.2946 ( 2794 PWs) bands (ev): -49.7003 -49.7003 -26.3701 -26.3701 -25.7152 -25.7152 -25.7089 -25.7089 -5.6602 -5.6602 -5.2001 -5.2001 4.1102 4.1102 5.2583 5.2583 5.5882 5.5882 5.7202 5.7202 7.9217 7.9217 8.1803 8.1803 8.3816 8.3816 8.4360 8.4360 9.1362 9.1362 11.4119 11.4119 k = 0.0288 0.0167 0.2946 ( 2796 PWs) bands (ev): -49.7002 -49.7002 -26.3702 -26.3702 -25.7153 -25.7153 -25.7092 -25.7092 -5.6554 -5.6554 -5.1974 -5.1974 4.1149 4.1149 5.2104 5.2104 5.6038 5.6038 5.7508 5.7508 7.8613 7.8613 8.1071 8.1071 8.4129 8.4129 8.4854 8.4854 9.1640 9.1640 11.3899 11.3899 k = 0.0385 0.0222 0.2946 ( 2804 PWs) bands (ev): -49.7002 -49.7002 -26.3704 -26.3704 -25.7154 -25.7154 -25.7095 -25.7095 -5.6487 -5.6487 -5.1936 -5.1936 4.1213 4.1213 5.1556 5.1556 5.6151 5.6151 5.7918 5.7918 7.7862 7.7862 8.0331 8.0331 8.4424 8.4424 8.5341 8.5341 9.2003 9.2003 11.3573 11.3573 k = 0.0481 0.0278 0.2946 ( 2798 PWs) bands (ev): -49.7001 -49.7001 -26.3706 -26.3706 -25.7154 -25.7154 -25.7099 -25.7099 -5.6402 -5.6402 -5.1887 -5.1887 4.1296 4.1296 5.0970 5.0970 5.6232 5.6232 5.8391 5.8391 7.6991 7.6991 7.9602 7.9602 8.4657 8.4657 8.5841 8.5841 9.2426 9.2426 11.3138 11.3138 k = 0.0577 0.0333 0.2946 ( 2802 PWs) bands (ev): -49.7001 -49.7001 -26.3709 -26.3709 -25.7156 -25.7156 -25.7104 -25.7104 -5.6298 -5.6298 -5.1828 -5.1828 4.1396 4.1396 5.0361 5.0361 5.6293 5.6293 5.8895 5.8895 7.6019 7.6019 7.8897 7.8897 8.4820 8.4820 8.6358 8.6358 9.2889 9.2889 11.2599 11.2599 k = 0.0673 0.0389 0.2946 ( 2812 PWs) bands (ev): -49.7000 -49.7000 -26.3713 -26.3713 -25.7158 -25.7158 -25.7110 -25.7110 -5.6175 -5.6175 -5.1758 -5.1758 4.1513 4.1513 4.9739 4.9739 5.6346 5.6346 5.9409 5.9409 7.4966 7.4966 7.8217 7.8217 8.4923 8.4923 8.6885 8.6885 9.3372 9.3372 11.1972 11.1972 k = 0.0769 0.0444 0.2946 ( 2812 PWs) bands (ev): -49.6999 -49.6999 -26.3716 -26.3716 -25.7160 -25.7160 -25.7116 -25.7116 -5.6035 -5.6035 -5.1677 -5.1677 4.1645 4.1645 4.9109 4.9109 5.6395 5.6395 5.9922 5.9922 7.3847 7.3847 7.7562 7.7562 8.4976 8.4976 8.7414 8.7414 9.3861 9.3861 11.1277 11.1277 k = 0.0865 0.0500 0.2946 ( 2808 PWs) bands (ev): -49.6998 -49.6998 -26.3720 -26.3720 -25.7163 -25.7163 -25.7122 -25.7122 -5.5876 -5.5876 -5.1587 -5.1587 4.1791 4.1791 4.8476 4.8476 5.6441 5.6441 6.0426 6.0426 7.2677 7.2677 7.6930 7.6930 8.4991 8.4991 8.7939 8.7939 9.4343 9.4343 11.0536 11.0536 k = 0.0962 0.0555 0.2946 ( 2804 PWs) bands (ev): -49.6997 -49.6997 -26.3725 -26.3725 -25.7168 -25.7168 -25.7126 -25.7126 -5.5700 -5.5700 -5.1486 -5.1486 4.1950 4.1950 4.7843 4.7843 5.6486 5.6486 6.0912 6.0912 7.1471 7.1471 7.6319 7.6319 8.4975 8.4975 8.8454 8.8454 9.4811 9.4811 10.9768 10.9768 k = 0.1058 0.0611 0.2946 ( 2808 PWs) bands (ev): -49.6995 -49.6995 -26.3730 -26.3730 -25.7175 -25.7175 -25.7131 -25.7131 -5.5507 -5.5507 -5.1376 -5.1376 4.2121 4.2121 4.7212 4.7212 5.6530 5.6530 6.1377 6.1377 7.0240 7.0240 7.5727 7.5727 8.4934 8.4934 8.8956 8.8956 9.5256 9.5256 10.8989 10.8989 k = 0.1154 0.0666 0.2946 ( 2808 PWs) bands (ev): -49.6994 -49.6994 -26.3736 -26.3736 -25.7184 -25.7184 -25.7133 -25.7133 -5.5297 -5.5297 -5.1256 -5.1256 4.2300 4.2300 4.6585 4.6585 5.6572 5.6572 6.1813 6.1813 6.8995 6.8995 7.5156 7.5156 8.4872 8.4872 8.9442 8.9442 9.5673 9.5673 10.8216 10.8216 k = 0.1250 0.0722 0.2946 ( 2806 PWs) bands (ev): -49.6992 -49.6992 -26.3741 -26.3741 -25.7195 -25.7195 -25.7135 -25.7135 -5.5071 -5.5071 -5.1127 -5.1127 4.2484 4.2484 4.5965 4.5965 5.6613 5.6613 6.2211 6.2211 6.7751 6.7751 7.4604 7.4604 8.4792 8.4792 8.9910 8.9910 9.6057 9.6057 10.7463 10.7463 k = 0.1346 0.0777 0.2946 ( 2812 PWs) bands (ev): -49.6991 -49.6991 -26.3748 -26.3748 -25.7207 -25.7207 -25.7137 -25.7137 -5.4830 -5.4830 -5.0989 -5.0989 4.2669 4.2669 4.5355 4.5355 5.6651 5.6651 6.2552 6.2552 6.6531 6.6531 7.4073 7.4073 8.4695 8.4695 9.0356 9.0356 9.6404 9.6404 10.6745 10.6745 k = 0.1442 0.0833 0.2946 ( 2808 PWs) bands (ev): -49.6989 -49.6989 -26.3754 -26.3754 -25.7220 -25.7220 -25.7138 -25.7138 -5.4573 -5.4573 -5.0842 -5.0842 4.2844 4.2844 4.4762 4.4762 5.6685 5.6685 6.2787 6.2787 6.5390 6.5390 7.3563 7.3563 8.4582 8.4582 9.0779 9.0779 9.6707 9.6707 10.6077 10.6077 k = 0.1538 0.0888 0.2946 ( 2808 PWs) bands (ev): -49.6987 -49.6987 -26.3761 -26.3761 -25.7234 -25.7234 -25.7138 -25.7138 -5.4302 -5.4302 -5.0687 -5.0687 4.2986 4.2986 4.4206 4.4206 5.6714 5.6714 6.2730 6.2730 6.4519 6.4519 7.3077 7.3077 8.4455 8.4455 9.1177 9.1177 9.6960 9.6960 10.5474 10.5474 k = 0.1635 0.0944 0.2946 ( 2808 PWs) bands (ev): -49.6985 -49.6985 -26.3769 -26.3769 -25.7249 -25.7249 -25.7138 -25.7138 -5.4017 -5.4017 -5.0523 -5.0523 4.3001 4.3001 4.3778 4.3778 5.6735 5.6735 6.2077 6.2077 6.4228 6.4228 7.2614 7.2614 8.4312 8.4312 9.1549 9.1549 9.7157 9.7157 10.4954 10.4954 k = 0.1731 0.0999 0.2946 ( 2800 PWs) bands (ev): -49.6983 -49.6983 -26.3776 -26.3776 -25.7264 -25.7264 -25.7138 -25.7138 -5.3719 -5.3719 -5.0352 -5.0352 4.2695 4.2695 4.3665 4.3665 5.6748 5.6748 6.1059 6.1059 6.4295 6.4295 7.2177 7.2177 8.4155 8.4155 9.1894 9.1894 9.7290 9.7290 10.4529 10.4529 k = 0.1827 0.1055 0.2946 ( 2800 PWs) bands (ev): -49.6982 -49.6982 -26.3784 -26.3784 -25.7280 -25.7280 -25.7138 -25.7138 -5.3409 -5.3409 -5.0173 -5.0173 4.2195 4.2195 4.3732 4.3732 5.6749 5.6749 5.9968 5.9968 6.4439 6.4439 7.1766 7.1766 8.3983 8.3983 9.2209 9.2209 9.7357 9.7357 10.4213 10.4213 k = 0.1923 0.1110 0.2946 ( 2792 PWs) bands (ev): -49.6979 -49.6979 -26.3792 -26.3792 -25.7297 -25.7297 -25.7138 -25.7138 -5.3088 -5.3088 -4.9987 -4.9987 4.1653 4.1653 4.3817 4.3817 5.6729 5.6729 5.8901 5.8901 6.4582 6.4582 7.1383 7.1383 8.3796 8.3796 9.2494 9.2494 9.7358 9.7358 10.4011 10.4011 k = 0.2019 0.1166 0.2946 ( 2788 PWs) bands (ev): -49.6977 -49.6977 -26.3800 -26.3800 -25.7313 -25.7313 -25.7138 -25.7138 -5.2756 -5.2756 -4.9794 -4.9794 4.1105 4.1105 4.3873 4.3873 5.6662 5.6662 5.7919 5.7919 6.4700 6.4700 7.1028 7.1028 8.3593 8.3593 9.2748 9.2748 9.7299 9.7299 10.3923 10.3923 k = 0.2115 0.1221 0.2946 ( 2784 PWs) bands (ev): -49.6975 -49.6975 -26.3809 -26.3809 -25.7331 -25.7331 -25.7137 -25.7137 -5.2416 -5.2416 -4.9595 -4.9595 4.0561 4.0561 4.3873 4.3873 5.6414 5.6414 5.7182 5.7182 6.4785 6.4785 7.0702 7.0702 8.3376 8.3376 9.2971 9.2971 9.7195 9.7195 10.3939 10.3939 k = 0.2212 0.1277 0.2946 ( 2780 PWs) bands (ev): -49.6973 -49.6973 -26.3817 -26.3817 -25.7348 -25.7348 -25.7137 -25.7137 -5.2068 -5.2068 -4.9389 -4.9389 4.0024 4.0024 4.3800 4.3800 5.5791 5.5791 5.6902 5.6902 6.4836 6.4836 7.0406 7.0406 8.3146 8.3146 9.3163 9.3163 9.7060 9.7060 10.4048 10.4048 k = 0.2308 0.1332 0.2946 ( 2784 PWs) bands (ev): -49.6971 -49.6971 -26.3826 -26.3826 -25.7366 -25.7366 -25.7136 -25.7136 -5.1714 -5.1714 -4.9176 -4.9176 3.9495 3.9495 4.3634 4.3634 5.5092 5.5092 5.6800 5.6800 6.4852 6.4852 7.0139 7.0139 8.2904 8.2904 9.3325 9.3325 9.6911 9.6911 10.4235 10.4235 k = 0.2404 0.1388 0.2946 ( 2776 PWs) bands (ev): -49.6969 -49.6969 -26.3835 -26.3835 -25.7384 -25.7384 -25.7135 -25.7135 -5.1355 -5.1355 -4.8958 -4.8958 3.8975 3.8975 4.3364 4.3364 5.4480 5.4480 5.6725 5.6725 6.4835 6.4835 6.9902 6.9902 8.2653 8.2653 9.3456 9.3456 9.6761 9.6761 10.4487 10.4487 k = 0.2500 0.1443 0.2946 ( 2776 PWs) bands (ev): -49.6966 -49.6966 -26.3844 -26.3844 -25.7402 -25.7402 -25.7135 -25.7135 -5.0994 -5.0994 -4.8734 -4.8734 3.8463 3.8463 4.2982 4.2982 5.3990 5.3990 5.6651 5.6651 6.4788 6.4788 6.9693 6.9693 8.2393 8.2393 9.3557 9.3557 9.6618 9.6618 10.4795 10.4795 k = 0.2596 0.1499 0.2946 ( 2780 PWs) bands (ev): -49.6964 -49.6964 -26.3853 -26.3853 -25.7420 -25.7420 -25.7135 -25.7135 -5.0631 -5.0631 -4.8503 -4.8503 3.7958 3.7958 4.2492 4.2492 5.3625 5.3625 5.6571 5.6571 6.4717 6.4717 6.9511 6.9511 8.2129 8.2129 9.3632 9.3632 9.6491 9.6491 10.5150 10.5150 k = 0.2692 0.1554 0.2946 ( 2784 PWs) bands (ev): -49.6962 -49.6962 -26.3863 -26.3863 -25.7438 -25.7438 -25.7134 -25.7134 -5.0270 -5.0270 -4.8266 -4.8266 3.7458 3.7458 4.1909 4.1909 5.3374 5.3374 5.6484 5.6484 6.4626 6.4626 6.9357 6.9357 8.1862 8.1862 9.3680 9.3680 9.6380 9.6380 10.5546 10.5546 k = 0.2788 0.1610 0.2946 ( 2784 PWs) bands (ev): -49.6960 -49.6960 -26.3872 -26.3872 -25.7456 -25.7456 -25.7134 -25.7134 -4.9913 -4.9913 -4.8022 -4.8022 3.6962 3.6962 4.1253 4.1253 5.3218 5.3218 5.6389 5.6389 6.4521 6.4521 6.9227 6.9227 8.1594 8.1594 9.3705 9.3705 9.6288 9.6288 10.5976 10.5976 k = 0.2885 0.1665 0.2946 ( 2784 PWs) bands (ev): -49.6958 -49.6958 -26.3881 -26.3881 -25.7473 -25.7473 -25.7133 -25.7133 -4.9562 -4.9562 -4.7770 -4.7770 3.6464 3.6464 4.0549 4.0549 5.3135 5.3135 5.6287 5.6287 6.4410 6.4410 6.9122 6.9122 8.1329 8.1329 9.3709 9.3709 9.6214 9.6214 10.6438 10.6438 k = 0.2981 0.1721 0.2946 ( 2780 PWs) bands (ev): -49.6956 -49.6956 -26.3890 -26.3890 -25.7490 -25.7490 -25.7133 -25.7133 -4.9221 -4.9221 -4.7511 -4.7511 3.5961 3.5961 3.9822 3.9822 5.3101 5.3101 5.6179 5.6179 6.4300 6.4300 6.9039 6.9039 8.1067 8.1067 9.3694 9.3694 9.6156 9.6156 10.6928 10.6928 k = 0.3077 0.1776 0.2946 ( 2780 PWs) bands (ev): -49.6954 -49.6954 -26.3899 -26.3899 -25.7507 -25.7507 -25.7132 -25.7132 -4.8892 -4.8892 -4.7242 -4.7242 3.5447 3.5447 3.9096 3.9096 5.3097 5.3097 5.6067 5.6067 6.4199 6.4199 6.8977 6.8977 8.0810 8.0810 9.3662 9.3662 9.6112 9.6112 10.7439 10.7439 k = 0.3173 0.1832 0.2946 ( 2780 PWs) bands (ev): -49.6951 -49.6951 -26.3908 -26.3908 -25.7523 -25.7523 -25.7132 -25.7132 -4.8578 -4.8578 -4.6965 -4.6965 3.4913 3.4913 3.8394 3.8394 5.3105 5.3105 5.5952 5.5952 6.4115 6.4115 6.8935 6.8935 8.0559 8.0559 9.3617 9.3617 9.6080 9.6080 10.7966 10.7966 k = 0.3269 0.1887 0.2946 ( 2784 PWs) bands (ev): -49.6950 -49.6950 -26.3916 -26.3916 -25.7540 -25.7540 -25.7131 -25.7131 -4.8280 -4.8280 -4.6679 -4.6679 3.4355 3.4355 3.7734 3.7734 5.3110 5.3110 5.5835 5.5835 6.4054 6.4054 6.8911 6.8911 8.0314 8.0314 9.3559 9.3559 9.6057 9.6057 10.8491 10.8491 k = 0.3365 0.1943 0.2946 ( 2788 PWs) bands (ev): -49.6948 -49.6948 -26.3925 -26.3925 -25.7555 -25.7555 -25.7131 -25.7131 -4.8000 -4.8000 -4.6387 -4.6387 3.3770 3.3770 3.7131 3.7131 5.3103 5.3103 5.5715 5.5715 6.4023 6.4023 6.8902 6.8902 8.0075 8.0075 9.3492 9.3492 9.6043 9.6043 10.8968 10.8968 k = 0.3462 0.1999 0.2946 ( 2788 PWs) bands (ev): -49.6946 -49.6946 -26.3933 -26.3933 -25.7570 -25.7570 -25.7130 -25.7130 -4.7740 -4.7740 -4.6089 -4.6089 3.3158 3.3158 3.6589 3.6589 5.3077 5.3077 5.5595 5.5595 6.4027 6.4027 6.8908 6.8908 7.9842 7.9842 9.3418 9.3418 9.6035 9.6035 10.9279 10.9279 k = 0.3558 0.2054 0.2946 ( 2784 PWs) bands (ev): -49.6944 -49.6944 -26.3940 -26.3940 -25.7584 -25.7584 -25.7129 -25.7129 -4.7497 -4.7497 -4.5789 -4.5789 3.2527 3.2527 3.6111 3.6111 5.3028 5.3028 5.5473 5.5473 6.4067 6.4067 6.8927 6.8927 7.9616 7.9616 9.3338 9.3338 9.6031 9.6031 10.9411 10.9411 k = 0.3654 0.2110 0.2946 ( 2790 PWs) bands (ev): -49.6942 -49.6942 -26.3948 -26.3948 -25.7598 -25.7598 -25.7129 -25.7129 -4.7272 -4.7272 -4.5489 -4.5489 3.1886 3.1886 3.5692 3.5692 5.2955 5.2955 5.5350 5.5350 6.4144 6.4144 6.8957 6.8957 7.9396 7.9396 9.3255 9.3255 9.6031 9.6031 10.9475 10.9475 k = 0.3750 0.2165 0.2946 ( 2786 PWs) bands (ev): -49.6941 -49.6941 -26.3955 -26.3955 -25.7610 -25.7610 -25.7128 -25.7128 -4.7065 -4.7065 -4.5194 -4.5194 3.1248 3.1248 3.5326 3.5326 5.2861 5.2861 5.5227 5.5227 6.4255 6.4255 6.8997 6.8997 7.9182 7.9182 9.3170 9.3170 9.6033 9.6033 10.9518 10.9518 k = 0.3846 0.2221 0.2946 ( 2786 PWs) bands (ev): -49.6939 -49.6939 -26.3962 -26.3962 -25.7622 -25.7622 -25.7128 -25.7128 -4.6874 -4.6874 -4.4906 -4.4906 3.0623 3.0623 3.5004 3.5004 5.2748 5.2748 5.5104 5.5104 6.4397 6.4397 6.9044 6.9044 7.8974 7.8974 9.3085 9.3085 9.6036 9.6036 10.9554 10.9554 k = 0.3942 0.2276 0.2946 ( 2786 PWs) bands (ev): -49.6938 -49.6938 -26.3968 -26.3968 -25.7634 -25.7634 -25.7127 -25.7127 -4.6699 -4.6699 -4.4629 -4.4629 3.0021 3.0021 3.4723 3.4723 5.2621 5.2621 5.4983 5.4983 6.4563 6.4563 6.9098 6.9098 7.8772 7.8772 9.3002 9.3002 9.6041 9.6041 10.9586 10.9586 k = 0.4038 0.2332 0.2946 ( 2800 PWs) bands (ev): -49.6937 -49.6937 -26.3974 -26.3974 -25.7644 -25.7644 -25.7128 -25.7128 -4.6539 -4.6539 -4.4366 -4.4366 2.9451 2.9451 3.4476 3.4476 5.2484 5.2484 5.4866 5.4866 6.4748 6.4748 6.9156 6.9156 7.8577 7.8577 9.2922 9.2922 9.6045 9.6045 10.9617 10.9617 k = 0.4135 0.2387 0.2946 ( 2798 PWs) bands (ev): -49.6935 -49.6935 -26.3980 -26.3980 -25.7654 -25.7654 -25.7127 -25.7127 -4.6395 -4.6395 -4.4119 -4.4119 2.8918 2.8918 3.4260 3.4260 5.2342 5.2342 5.4754 5.4754 6.4943 6.4943 6.9218 6.9218 7.8391 7.8391 9.2846 9.2846 9.6049 9.6049 10.9645 10.9645 k = 0.4231 0.2443 0.2946 ( 2794 PWs) bands (ev): -49.6934 -49.6934 -26.3984 -26.3984 -25.7662 -25.7662 -25.7127 -25.7127 -4.6265 -4.6265 -4.3892 -4.3892 2.8430 2.8430 3.4073 3.4073 5.2200 5.2200 5.4650 5.4650 6.5141 6.5141 6.9283 6.9283 7.8214 7.8214 9.2775 9.2775 9.6053 9.6053 10.9671 10.9671 k = 0.4327 0.2498 0.2946 ( 2798 PWs) bands (ev): -49.6933 -49.6933 -26.3989 -26.3989 -25.7670 -25.7670 -25.7126 -25.7126 -4.6150 -4.6150 -4.3685 -4.3685 2.7989 2.7989 3.3911 3.3911 5.2063 5.2063 5.4555 5.4555 6.5335 6.5335 6.9347 6.9347 7.8048 7.8048 9.2710 9.2710 9.6057 9.6057 10.9695 10.9695 k = 0.4423 0.2554 0.2946 ( 2800 PWs) bands (ev): -49.6932 -49.6932 -26.3993 -26.3993 -25.7677 -25.7677 -25.7126 -25.7126 -4.6051 -4.6051 -4.3502 -4.3502 2.7600 2.7600 3.3774 3.3774 5.1935 5.1935 5.4470 5.4470 6.5518 6.5518 6.9410 6.9410 7.7896 7.7896 9.2652 9.2652 9.6059 9.6059 10.9716 10.9716 k = 0.4519 0.2609 0.2946 ( 2802 PWs) bands (ev): -49.6932 -49.6932 -26.3996 -26.3996 -25.7682 -25.7682 -25.7126 -25.7126 -4.5966 -4.5966 -4.3344 -4.3344 2.7266 2.7266 3.3660 3.3660 5.1820 5.1820 5.4397 5.4397 6.5684 6.5684 6.9470 6.9470 7.7761 7.7761 9.2602 9.2602 9.6062 9.6062 10.9735 10.9735 k = 0.4615 0.2665 0.2946 ( 2798 PWs) bands (ev): -49.6931 -49.6931 -26.3998 -26.3998 -25.7687 -25.7687 -25.7126 -25.7126 -4.5897 -4.5897 -4.3213 -4.3213 2.6990 2.6990 3.3568 3.3568 5.1721 5.1721 5.4335 5.4335 6.5827 6.5827 6.9523 6.9523 7.7644 7.7644 9.2560 9.2560 9.6064 9.6064 10.9751 10.9751 k = 0.4712 0.2720 0.2946 ( 2798 PWs) bands (ev): -49.6931 -49.6931 -26.4001 -26.4001 -25.7690 -25.7690 -25.7125 -25.7125 -4.5843 -4.5843 -4.3109 -4.3109 2.6773 2.6773 3.3497 3.3497 5.1641 5.1641 5.4287 5.4287 6.5942 6.5942 6.9568 6.9568 7.7550 7.7550 9.2527 9.2527 9.6065 9.6065 10.9763 10.9763 k = 0.4808 0.2776 0.2946 ( 2800 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7693 -25.7693 -25.7125 -25.7125 -4.5804 -4.5804 -4.3035 -4.3035 2.6617 2.6617 3.3447 3.3447 5.1583 5.1583 5.4253 5.4253 6.6027 6.6027 6.9602 6.9602 7.7480 7.7480 9.2504 9.2504 9.6066 9.6066 10.9772 10.9772 k = 0.4904 0.2831 0.2946 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7125 -25.7125 -4.5781 -4.5781 -4.2990 -4.2990 2.6523 2.6523 3.3417 3.3417 5.1547 5.1547 5.4232 5.4232 6.6079 6.6079 6.9624 6.9624 7.7437 7.7437 9.2489 9.2489 9.6067 9.6067 10.9777 10.9777 k = 0.5000 0.2887 0.2946 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7125 -25.7125 -4.5773 -4.5773 -4.2974 -4.2974 2.6491 2.6491 3.3407 3.3407 5.1535 5.1535 5.4225 5.4225 6.6096 6.6096 6.9631 6.9631 7.7423 7.7423 9.2484 9.2484 9.6067 9.6067 10.9779 10.9779 k = 0.5000 0.2887 0.2946 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7125 -25.7125 -4.5773 -4.5773 -4.2974 -4.2974 2.6491 2.6491 3.3407 3.3407 5.1535 5.1535 5.4225 5.4225 6.6096 6.6096 6.9631 6.9631 7.7423 7.7423 9.2484 9.2484 9.6067 9.6067 10.9779 10.9779 k = 0.4944 0.2983 0.2946 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7126 -25.7126 -4.5768 -4.5768 -4.2974 -4.2974 2.6505 2.6505 3.3413 3.3413 5.1535 5.1535 5.4211 5.4211 6.6064 6.6064 6.9529 6.9529 7.7505 7.7505 9.2489 9.2489 9.6060 9.6060 10.9750 10.9750 k = 0.4889 0.3079 0.2946 ( 2796 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7126 -25.7126 -4.5752 -4.5752 -4.2971 -4.2971 2.6547 2.6547 3.3432 3.3432 5.1534 5.1534 5.4170 5.4170 6.5965 6.5965 6.9239 6.9239 7.7738 7.7738 9.2503 9.2503 9.6038 9.6038 10.9664 10.9664 k = 0.4833 0.3175 0.2946 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7127 -25.7127 -4.5726 -4.5726 -4.2967 -4.2967 2.6617 2.6617 3.3463 3.3463 5.1531 5.1531 5.4103 5.4103 6.5794 6.5794 6.8803 6.8803 7.8090 7.8090 9.2525 9.2525 9.6003 9.6003 10.9527 10.9527 k = 0.4778 0.3272 0.2946 ( 2798 PWs) bands (ev): -49.6930 -49.6930 -26.4004 -26.4004 -25.7695 -25.7695 -25.7129 -25.7129 -4.5690 -4.5690 -4.2961 -4.2961 2.6714 2.6714 3.3506 3.3506 5.1524 5.1524 5.4011 5.4011 6.5538 6.5538 6.8272 6.8272 7.8525 7.8525 9.2556 9.2556 9.5953 9.5953 10.9348 10.9348 k = 0.4722 0.3368 0.2946 ( 2790 PWs) bands (ev): -49.6930 -49.6930 -26.4004 -26.4004 -25.7695 -25.7695 -25.7130 -25.7130 -4.5644 -4.5644 -4.2954 -4.2954 2.6840 2.6840 3.3561 3.3561 5.1512 5.1512 5.3894 5.3894 6.5182 6.5182 6.7700 6.7700 7.9011 7.9011 9.2595 9.2595 9.5890 9.5890 10.9139 10.9139 k = 0.4667 0.3464 0.2946 ( 2794 PWs) bands (ev): -49.6929 -49.6929 -26.4005 -26.4005 -25.7695 -25.7695 -25.7133 -25.7133 -4.5588 -4.5588 -4.2946 -4.2946 2.6992 2.6992 3.3628 3.3628 5.1491 5.1491 5.3757 5.3757 6.4707 6.4707 6.7136 6.7136 7.9527 7.9527 9.2640 9.2640 9.5812 9.5812 10.8911 10.8911 k = 0.4611 0.3560 0.2946 ( 2794 PWs) bands (ev): -49.6929 -49.6929 -26.4006 -26.4006 -25.7695 -25.7695 -25.7136 -25.7136 -4.5523 -4.5523 -4.2936 -4.2936 2.7172 2.7172 3.3707 3.3707 5.1457 5.1457 5.3600 5.3600 6.4111 6.4111 6.6608 6.6608 8.0058 8.0058 9.2689 9.2689 9.5720 9.5720 10.8675 10.8675 k = 0.4556 0.3657 0.2946 ( 2790 PWs) bands (ev): -49.6929 -49.6929 -26.4006 -26.4006 -25.7694 -25.7694 -25.7138 -25.7138 -4.5449 -4.5449 -4.2925 -4.2925 2.7379 2.7379 3.3796 3.3796 5.1405 5.1405 5.3425 5.3425 6.3409 6.3409 6.6123 6.6123 8.0593 8.0593 9.2742 9.2742 9.5615 9.5615 10.8446 10.8446 k = 0.4500 0.3753 0.2946 ( 2786 PWs) bands (ev): -49.6928 -49.6928 -26.4007 -26.4007 -25.7694 -25.7694 -25.7141 -25.7141 -4.5366 -4.5366 -4.2914 -4.2914 2.7613 2.7613 3.3896 3.3896 5.1327 5.1327 5.3234 5.3234 6.2634 6.2634 6.5669 6.5669 8.1127 8.1127 9.2796 9.2796 9.5496 9.5496 10.8232 10.8232 k = 0.4444 0.3849 0.2946 ( 2786 PWs) bands (ev): -49.6928 -49.6928 -26.4008 -26.4008 -25.7694 -25.7694 -25.7145 -25.7145 -4.5275 -4.5275 -4.2902 -4.2902 2.7872 2.7872 3.4005 3.4005 5.1219 5.1219 5.3027 5.3027 6.1824 6.1824 6.5229 6.5229 8.1656 8.1656 9.2848 9.2848 9.5365 9.5365 10.8043 10.8043 k = 0.4389 0.3945 0.2946 ( 2782 PWs) bands (ev): -49.6928 -49.6928 -26.4009 -26.4009 -25.7694 -25.7694 -25.7148 -25.7148 -4.5177 -4.5177 -4.2889 -4.2889 2.8158 2.8158 3.4124 3.4124 5.1074 5.1074 5.2801 5.2801 6.1012 6.1012 6.4793 6.4793 8.2179 8.2179 9.2896 9.2896 9.5220 9.5220 10.7889 10.7889 k = 0.4333 0.4041 0.2946 ( 2778 PWs) bands (ev): -49.6927 -49.6927 -26.4010 -26.4010 -25.7694 -25.7694 -25.7152 -25.7152 -4.5071 -4.5071 -4.2877 -4.2877 2.8469 2.8469 3.4251 3.4251 5.0884 5.0884 5.2549 5.2549 6.0229 6.0229 6.4355 6.4355 8.2694 8.2694 9.2936 9.2936 9.5063 9.5063 10.7775 10.7775 k = 0.4278 0.4138 0.2946 ( 2782 PWs) bands (ev): -49.6927 -49.6927 -26.4012 -26.4012 -25.7695 -25.7695 -25.7156 -25.7156 -4.4960 -4.4960 -4.2865 -4.2865 2.8804 2.8804 3.4385 3.4385 5.0646 5.0646 5.2263 5.2263 5.9504 5.9504 6.3913 6.3913 8.3202 8.3202 9.2966 9.2966 9.4894 9.4894 10.7708 10.7708 k = 0.4222 0.4234 0.2946 ( 2786 PWs) bands (ev): -49.6926 -49.6926 -26.4013 -26.4013 -25.7695 -25.7695 -25.7160 -25.7160 -4.4843 -4.4843 -4.2853 -4.2853 2.9164 2.9164 3.4526 3.4526 5.0352 5.0352 5.1934 5.1934 5.8862 5.8862 6.3467 6.3467 8.3703 8.3703 9.2984 9.2984 9.4713 9.4713 10.7691 10.7691 k = 0.4167 0.4330 0.2946 ( 2786 PWs) bands (ev): -49.6926 -49.6926 -26.4014 -26.4014 -25.7695 -25.7695 -25.7164 -25.7164 -4.4722 -4.4722 -4.2842 -4.2842 2.9546 2.9546 3.4672 3.4672 4.9993 4.9993 5.1563 5.1563 5.8325 5.8325 6.3018 6.3018 8.4197 8.4197 9.2986 9.2986 9.4522 9.4522 10.7727 10.7727 k = 0.4111 0.4426 0.2946 ( 2782 PWs) bands (ev): -49.6925 -49.6925 -26.4015 -26.4015 -25.7696 -25.7696 -25.7168 -25.7168 -4.4596 -4.4596 -4.2833 -4.2833 2.9951 2.9951 3.4822 3.4822 4.9556 4.9556 5.1160 5.1160 5.7901 5.7901 6.2570 6.2570 8.4684 8.4684 9.2973 9.2973 9.4321 9.4321 10.7818 10.7818 k = 0.4056 0.4523 0.2946 ( 2774 PWs) bands (ev): -49.6925 -49.6925 -26.4016 -26.4016 -25.7696 -25.7696 -25.7171 -25.7171 -4.4468 -4.4468 -4.2825 -4.2825 3.0378 3.0378 3.4975 3.4975 4.9028 4.9028 5.0748 5.0748 5.7590 5.7590 6.2125 6.2125 8.5165 8.5165 9.2942 9.2942 9.4111 9.4111 10.7963 10.7963 k = 0.4000 0.4619 0.2946 ( 2770 PWs) bands (ev): -49.6924 -49.6924 -26.4018 -26.4018 -25.7696 -25.7696 -25.7175 -25.7175 -4.4338 -4.4338 -4.2819 -4.2819 3.0824 3.0824 3.5128 3.5128 4.8406 4.8406 5.0349 5.0349 5.7380 5.7380 6.1688 6.1688 8.5641 8.5641 9.2894 9.2894 9.3894 9.3894 10.8159 10.8159 k = 0.3944 0.4715 0.2946 ( 2776 PWs) bands (ev): -49.6924 -49.6924 -26.4019 -26.4019 -25.7697 -25.7697 -25.7178 -25.7178 -4.4207 -4.4207 -4.2815 -4.2815 3.1289 3.1289 3.5280 3.5280 4.7702 4.7702 4.9974 4.9974 5.7255 5.7255 6.1261 6.1261 8.6110 8.6110 9.2828 9.2828 9.3670 9.3670 10.8406 10.8406 k = 0.3889 0.4811 0.2946 ( 2776 PWs) bands (ev): -49.6923 -49.6923 -26.4021 -26.4021 -25.7698 -25.7698 -25.7182 -25.7182 -4.4076 -4.4076 -4.2814 -4.2814 3.1770 3.1770 3.5430 3.5430 4.6938 4.6938 4.9626 4.9626 5.7198 5.7198 6.0850 6.0850 8.6574 8.6574 9.2744 9.2744 9.3443 9.3443 10.8698 10.8698 k = 0.3833 0.4907 0.2946 ( 2776 PWs) bands (ev): -49.6923 -49.6923 -26.4022 -26.4022 -25.7699 -25.7699 -25.7185 -25.7185 -4.3947 -4.3947 -4.2817 -4.2817 3.2264 3.2264 3.5575 3.5575 4.6137 4.6137 4.9303 4.9303 5.7194 5.7194 6.0456 6.0456 8.7030 8.7030 9.2643 9.2643 9.3216 9.3216 10.9032 10.9032 k = 0.3778 0.5004 0.2946 ( 2772 PWs) bands (ev): -49.6923 -49.6923 -26.4023 -26.4023 -25.7700 -25.7700 -25.7187 -25.7187 -4.3821 -4.3821 -4.2823 -4.2823 3.2768 3.2768 3.5714 3.5714 4.5322 4.5322 4.9006 4.9006 5.7230 5.7230 6.0084 6.0084 8.7479 8.7479 9.2522 9.2522 9.2993 9.2993 10.9401 10.9401 k = 0.3722 0.5100 0.2946 ( 2766 PWs) bands (ev): -49.6922 -49.6922 -26.4024 -26.4024 -25.7700 -25.7700 -25.7190 -25.7190 -4.3698 -4.3698 -4.2833 -4.2833 3.3276 3.3276 3.5847 3.5847 4.4511 4.4511 4.8734 4.8734 5.7296 5.7296 5.9736 5.9736 8.7919 8.7919 9.2380 9.2380 9.2781 9.2781 10.9801 10.9801 k = 0.3667 0.5196 0.2946 ( 2766 PWs) bands (ev): -49.6922 -49.6922 -26.4025 -26.4025 -25.7701 -25.7701 -25.7192 -25.7192 -4.3580 -4.3580 -4.2847 -4.2847 3.3781 3.3781 3.5972 3.5972 4.3719 4.3719 4.8491 4.8491 5.7383 5.7383 5.9415 5.9415 8.8347 8.8347 9.2213 9.2213 9.2587 9.2587 11.0225 11.0225 k = 0.3611 0.5292 0.2946 ( 2766 PWs) bands (ev): -49.6922 -49.6922 -26.4026 -26.4026 -25.7702 -25.7702 -25.7194 -25.7194 -4.3469 -4.3469 -4.2866 -4.2866 3.4269 3.4269 3.6093 3.6093 4.2965 4.2965 4.8278 4.8278 5.7484 5.7484 5.9124 5.9124 8.8760 8.8760 9.2026 9.2026 9.2414 9.2414 11.0668 11.0668 k = 0.3556 0.5389 0.2946 ( 2770 PWs) bands (ev): -49.6921 -49.6921 -26.4027 -26.4027 -25.7703 -25.7703 -25.7195 -25.7195 -4.3365 -4.3365 -4.2891 -4.2891 3.4718 3.4718 3.6217 3.6217 4.2266 4.2266 4.8098 4.8098 5.7593 5.7593 5.8866 5.8866 8.9150 8.9150 9.1829 9.1829 9.2260 9.2260 11.1121 11.1121 k = 0.3500 0.5485 0.2946 ( 2766 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7196 -25.7196 -4.3270 -4.3270 -4.2921 -4.2921 3.5098 3.5098 3.6352 3.6352 4.1648 4.1648 4.7954 4.7954 5.7703 5.7703 5.8644 5.8644 8.9507 8.9507 9.1642 9.1642 9.2119 9.2119 11.1578 11.1578 k = 0.3444 0.5581 0.2946 ( 2758 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3187 -4.3187 -4.2957 -4.2957 3.5370 3.5370 3.6504 3.6504 4.1146 4.1146 4.7850 4.7850 5.7805 5.7805 5.8466 5.8466 8.9807 8.9807 9.1487 9.1487 9.1992 9.1992 11.2031 11.2031 k = 0.3389 0.5677 0.2946 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3116 -4.3116 -4.2997 -4.2997 3.5521 3.5521 3.6641 3.6641 4.0810 4.0810 4.7787 4.7787 5.7883 5.7883 5.8343 5.8343 9.0012 9.0012 9.1397 9.1397 9.1887 9.1887 11.2466 11.2466 k = 0.3333 0.5774 0.2946 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7198 -25.7198 -4.3074 -4.3074 -4.3029 -4.3029 3.5565 3.5565 3.6699 3.6699 4.0691 4.0691 4.7765 4.7765 5.7913 5.7913 5.8300 5.8300 9.0082 9.0082 9.1380 9.1380 9.1838 9.1838 11.2769 11.2769 k = 0.3333 0.5774 0.2946 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7198 -25.7198 -4.3074 -4.3074 -4.3029 -4.3029 3.5565 3.5565 3.6699 3.6699 4.0691 4.0691 4.7765 4.7765 5.7913 5.7913 5.8300 5.8300 9.0082 9.0082 9.1380 9.1380 9.1838 9.1838 11.2769 11.2769 k = 0.3278 0.5677 0.2946 ( 2758 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3113 -4.3113 -4.3001 -4.3001 3.5527 3.5527 3.6639 3.6639 4.0807 4.0807 4.7787 4.7787 5.7894 5.7894 5.8332 5.8332 9.0027 9.0027 9.1362 9.1362 9.1909 9.1909 11.2473 11.2473 k = 0.3222 0.5581 0.2946 ( 2764 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3175 -4.3175 -4.2972 -4.2972 3.5418 3.5418 3.6487 3.6487 4.1124 4.1124 4.7850 4.7850 5.7866 5.7866 5.8398 5.8398 8.9896 8.9896 9.1291 9.1291 9.2101 9.2101 11.2057 11.2057 k = 0.3167 0.5485 0.2946 ( 2764 PWs) bands (ev): -49.6921 -49.6921 -26.4027 -26.4027 -25.7703 -25.7703 -25.7196 -25.7196 -4.3246 -4.3246 -4.2959 -4.2959 3.5248 3.5248 3.6296 3.6296 4.1584 4.1584 4.7954 4.7954 5.7855 5.7855 5.8470 5.8470 8.9731 8.9731 9.1193 9.1193 9.2349 9.2349 11.1630 11.1630 k = 0.3111 0.5389 0.2946 ( 2764 PWs) bands (ev): -49.6921 -49.6921 -26.4026 -26.4026 -25.7701 -25.7701 -25.7195 -25.7195 -4.3325 -4.3325 -4.2962 -4.2962 3.5029 3.5029 3.6106 3.6106 4.2136 4.2136 4.8098 4.8098 5.7869 5.7869 5.8537 5.8537 8.9555 8.9555 9.1086 9.1086 9.2613 9.2613 11.1202 11.1202 k = 0.3056 0.5292 0.2946 ( 2768 PWs) bands (ev): -49.6922 -49.6922 -26.4025 -26.4025 -25.7700 -25.7700 -25.7194 -25.7194 -4.3413 -4.3413 -4.2984 -4.2984 3.4785 3.4785 3.5933 3.5933 4.2748 4.2748 4.8279 4.8279 5.7912 5.7912 5.8593 5.8593 8.9379 8.9379 9.0978 9.0978 9.2873 9.2873 11.0779 11.0779 k = 0.3000 0.5196 0.2946 ( 2766 PWs) bands (ev): -49.6922 -49.6922 -26.4024 -26.4024 -25.7698 -25.7698 -25.7193 -25.7193 -4.3509 -4.3509 -4.3025 -4.3025 3.4539 3.4539 3.5776 3.5776 4.3399 4.3399 4.8494 4.8494 5.7980 5.7980 5.8639 5.8639 8.9209 8.9209 9.0871 9.0871 9.3120 9.3120 11.0363 11.0363 k = 0.2944 0.5100 0.2946 ( 2770 PWs) bands (ev): -49.6923 -49.6923 -26.4022 -26.4022 -25.7696 -25.7696 -25.7191 -25.7191 -4.3613 -4.3613 -4.3086 -4.3086 3.4311 3.4311 3.5632 3.5632 4.4076 4.4076 4.8742 4.8742 5.8067 5.8067 5.8678 5.8678 8.9049 8.9049 9.0767 9.0767 9.3350 9.3350 10.9959 10.9959 k = 0.2889 0.5004 0.2946 ( 2774 PWs) bands (ev): -49.6923 -49.6923 -26.4020 -26.4020 -25.7693 -25.7693 -25.7190 -25.7190 -4.3726 -4.3726 -4.3167 -4.3167 3.4114 3.4114 3.5500 3.5500 4.4769 4.4769 4.9020 4.9020 5.8161 5.8161 5.8721 5.8721 8.8900 8.8900 9.0666 9.0666 9.3560 9.3560 10.9569 10.9569 k = 0.2833 0.4907 0.2946 ( 2774 PWs) bands (ev): -49.6924 -49.6924 -26.4017 -26.4017 -25.7689 -25.7689 -25.7188 -25.7188 -4.3847 -4.3847 -4.3269 -4.3269 3.3957 3.3957 3.5380 3.5380 4.5473 4.5473 4.9325 4.9325 5.8236 5.8236 5.8792 5.8792 8.8764 8.8764 9.0570 9.0570 9.3749 9.3749 10.9196 10.9196 k = 0.2778 0.4811 0.2946 ( 2782 PWs) bands (ev): -49.6925 -49.6925 -26.4015 -26.4015 -25.7685 -25.7685 -25.7186 -25.7186 -4.3976 -4.3976 -4.3392 -4.3392 3.3846 3.3846 3.5273 3.5273 4.6183 4.6183 4.9657 4.9657 5.8260 5.8260 5.8918 5.8918 8.8641 8.8641 9.0477 9.0477 9.3916 9.3916 10.8843 10.8843 k = 0.2722 0.4715 0.2946 ( 2788 PWs) bands (ev): -49.6926 -49.6926 -26.4012 -26.4012 -25.7680 -25.7680 -25.7185 -25.7185 -4.4114 -4.4114 -4.3537 -4.3537 3.3785 3.3785 3.5180 3.5180 4.6893 4.6893 5.0012 5.0012 5.8228 5.8228 5.9105 5.9105 8.8530 8.8530 9.0389 9.0389 9.4062 9.4062 10.8512 10.8512 k = 0.2667 0.4619 0.2946 ( 2792 PWs) bands (ev): -49.6927 -49.6927 -26.4008 -26.4008 -25.7675 -25.7675 -25.7183 -25.7183 -4.4259 -4.4259 -4.3702 -4.3702 3.3775 3.3775 3.5104 3.5104 4.7600 4.7600 5.0391 5.0391 5.8149 5.8149 5.9340 5.9340 8.8431 8.8431 9.0306 9.0306 9.4191 9.4191 10.8204 10.8204 k = 0.2611 0.4523 0.2946 ( 2792 PWs) bands (ev): -49.6928 -49.6928 -26.4004 -26.4004 -25.7668 -25.7668 -25.7181 -25.7181 -4.4413 -4.4413 -4.3888 -4.3888 3.3817 3.3817 3.5046 3.5046 4.8302 4.8302 5.0790 5.0790 5.8034 5.8034 5.9612 5.9612 8.8342 8.8342 9.0228 9.0228 9.4304 9.4304 10.7920 10.7920 k = 0.2556 0.4426 0.2946 ( 2800 PWs) bands (ev): -49.6929 -49.6929 -26.4000 -26.4000 -25.7662 -25.7662 -25.7179 -25.7179 -4.4575 -4.4575 -4.4094 -4.4094 3.3911 3.3911 3.5010 3.5010 4.8994 4.8994 5.1211 5.1211 5.7889 5.7889 5.9912 5.9912 8.8261 8.8261 9.0154 9.0154 9.4406 9.4406 10.7661 10.7661 k = 0.2500 0.4330 0.2946 ( 2804 PWs) bands (ev): -49.6930 -49.6930 -26.3995 -26.3995 -25.7654 -25.7654 -25.7177 -25.7177 -4.4744 -4.4744 -4.4321 -4.4321 3.4055 3.4055 3.4998 3.4998 4.9673 4.9673 5.1651 5.1651 5.7719 5.7719 6.0235 6.0235 8.8186 8.8186 9.0086 9.0086 9.4502 9.4502 10.7425 10.7425 k = 0.2444 0.4234 0.2946 ( 2800 PWs) bands (ev): -49.6931 -49.6931 -26.3989 -26.3989 -25.7646 -25.7646 -25.7174 -25.7174 -4.4920 -4.4920 -4.4566 -4.4566 3.4245 3.4245 3.5016 3.5016 5.0337 5.0337 5.2109 5.2109 5.7526 5.7526 6.0578 6.0578 8.8113 8.8113 9.0024 9.0024 9.4596 9.4596 10.7214 10.7214 k = 0.2389 0.4138 0.2946 ( 2796 PWs) bands (ev): -49.6933 -49.6933 -26.3983 -26.3983 -25.7636 -25.7636 -25.7172 -25.7172 -4.5103 -4.5103 -4.4830 -4.4830 3.4469 3.4469 3.5074 3.5074 5.0983 5.0983 5.2585 5.2585 5.7315 5.7315 6.0936 6.0936 8.8040 8.8040 8.9968 8.9968 9.4695 9.4695 10.7025 10.7025 k = 0.2333 0.4041 0.2946 ( 2796 PWs) bands (ev): -49.6934 -49.6934 -26.3977 -26.3977 -25.7627 -25.7627 -25.7170 -25.7170 -4.5293 -4.5293 -4.5110 -4.5110 3.4699 3.4699 3.5200 3.5200 5.1605 5.1605 5.3077 5.3077 5.7090 5.7090 6.1307 6.1307 8.7965 8.7965 8.9918 8.9918 9.4804 9.4804 10.6857 10.6857 k = 0.2278 0.3945 0.2946 ( 2794 PWs) bands (ev): -49.6936 -49.6936 -26.3971 -26.3971 -25.7616 -25.7616 -25.7168 -25.7168 -4.5490 -4.5490 -4.5406 -4.5406 3.4894 3.4894 3.5436 3.5436 5.2202 5.2202 5.3584 5.3584 5.6856 5.6856 6.1685 6.1685 8.7886 8.7886 8.9876 8.9876 9.4928 9.4928 10.6709 10.6709 k = 0.2222 0.3849 0.2946 ( 2794 PWs) bands (ev): -49.6938 -49.6938 -26.3964 -26.3964 -25.7605 -25.7605 -25.7166 -25.7166 -4.5729 -4.5729 -4.5681 -4.5681 3.5050 3.5050 3.5782 3.5782 5.2765 5.2765 5.4104 5.4104 5.6623 5.6623 6.2069 6.2069 8.7801 8.7801 8.9842 8.9842 9.5070 9.5070 10.6580 10.6580 k = 0.2167 0.3753 0.2946 ( 2794 PWs) bands (ev): -49.6939 -49.6939 -26.3957 -26.3957 -25.7593 -25.7593 -25.7164 -25.7164 -4.6050 -4.6050 -4.5892 -4.5892 3.5197 3.5197 3.6206 3.6206 5.3284 5.3284 5.4634 5.4634 5.6406 5.6406 6.2454 6.2454 8.7709 8.7709 8.9818 8.9818 9.5234 9.5234 10.6468 10.6468 k = 0.2111 0.3657 0.2946 ( 2798 PWs) bands (ev): -49.6941 -49.6941 -26.3950 -26.3950 -25.7581 -25.7581 -25.7162 -25.7162 -4.6389 -4.6389 -4.6103 -4.6103 3.5354 3.5354 3.6686 3.6686 5.3737 5.3737 5.5165 5.5165 5.6234 5.6234 6.2836 6.2836 8.7610 8.7610 8.9804 8.9804 9.5420 9.5420 10.6374 10.6374 k = 0.2056 0.3560 0.2946 ( 2794 PWs) bands (ev): -49.6943 -49.6943 -26.3942 -26.3942 -25.7568 -25.7568 -25.7160 -25.7160 -4.6739 -4.6739 -4.6317 -4.6317 3.5529 3.5529 3.7210 3.7210 5.4084 5.4084 5.5662 5.5662 5.6189 5.6189 6.3212 6.3212 8.7505 8.7505 8.9802 8.9802 9.5629 9.5629 10.6296 10.6296 k = 0.2000 0.3464 0.2946 ( 2798 PWs) bands (ev): -49.6945 -49.6945 -26.3934 -26.3934 -25.7554 -25.7554 -25.7159 -25.7159 -4.7098 -4.7098 -4.6535 -4.6535 3.5726 3.5726 3.7771 3.7771 5.4269 5.4269 5.5974 5.5974 5.6478 5.6478 6.3578 6.3578 8.7395 8.7395 8.9814 8.9814 9.5858 9.5858 10.6235 10.6235 k = 0.1944 0.3368 0.2946 ( 2796 PWs) bands (ev): -49.6947 -49.6947 -26.3926 -26.3926 -25.7540 -25.7540 -25.7157 -25.7157 -4.7467 -4.7467 -4.6756 -4.6756 3.5945 3.5945 3.8361 3.8361 5.4275 5.4275 5.6208 5.6208 5.7015 5.7015 6.3930 6.3930 8.7282 8.7282 8.9840 8.9840 9.6106 9.6106 10.6193 10.6193 k = 0.1889 0.3272 0.2946 ( 2792 PWs) bands (ev): -49.6949 -49.6949 -26.3917 -26.3917 -25.7525 -25.7525 -25.7155 -25.7155 -4.7842 -4.7842 -4.6978 -4.6978 3.6188 3.6188 3.8975 3.8975 5.4160 5.4160 5.6502 5.6502 5.7609 5.7609 6.4264 6.4264 8.7168 8.7168 8.9881 8.9881 9.6368 9.6368 10.6169 10.6169 k = 0.1833 0.3175 0.2946 ( 2786 PWs) bands (ev): -49.6951 -49.6951 -26.3908 -26.3908 -25.7510 -25.7510 -25.7153 -25.7153 -4.8223 -4.8223 -4.7203 -4.7203 3.6453 3.6453 3.9602 3.9602 5.3991 5.3991 5.6828 5.6828 5.8230 5.8230 6.4577 6.4577 8.7054 8.7054 8.9939 8.9939 9.6639 9.6639 10.6167 10.6167 k = 0.1778 0.3079 0.2946 ( 2790 PWs) bands (ev): -49.6953 -49.6953 -26.3899 -26.3899 -25.7494 -25.7494 -25.7152 -25.7152 -4.8608 -4.8608 -4.7428 -4.7428 3.6742 3.6742 4.0235 4.0235 5.3810 5.3810 5.7158 5.7158 5.8868 5.8868 6.4866 6.4866 8.6942 8.6942 9.0014 9.0014 9.6912 9.6912 10.6188 10.6188 k = 0.1722 0.2983 0.2946 ( 2794 PWs) bands (ev): -49.6955 -49.6955 -26.3891 -26.3891 -25.7479 -25.7479 -25.7151 -25.7151 -4.8996 -4.8996 -4.7654 -4.7654 3.7054 3.7054 4.0862 4.0862 5.3644 5.3644 5.7478 5.7478 5.9522 5.9522 6.5127 6.5127 8.6834 8.6834 9.0105 9.0105 9.7180 9.7180 10.6231 10.6231 k = 0.1667 0.2887 0.2946 ( 2790 PWs) bands (ev): -49.6957 -49.6957 -26.3881 -26.3881 -25.7462 -25.7462 -25.7150 -25.7150 -4.9385 -4.9385 -4.7879 -4.7879 3.7389 3.7389 4.1468 4.1468 5.3513 5.3513 5.7785 5.7785 6.0187 6.0187 6.5359 6.5359 8.6731 8.6731 9.0213 9.0213 9.7435 9.7435 10.6272 10.6272 k = 0.1611 0.2791 0.2946 ( 2792 PWs) bands (ev): -49.6960 -49.6960 -26.3872 -26.3872 -25.7446 -25.7446 -25.7149 -25.7149 -4.9774 -4.9774 -4.8103 -4.8103 3.7745 3.7745 4.2040 4.2040 5.3432 5.3432 5.8076 5.8076 6.0862 6.0862 6.5560 6.5560 8.6634 8.6634 9.0334 9.0334 9.7670 9.7670 10.6080 10.6080 k = 0.1556 0.2694 0.2946 ( 2792 PWs) bands (ev): -49.6962 -49.6962 -26.3863 -26.3863 -25.7429 -25.7429 -25.7148 -25.7148 -5.0162 -5.0162 -4.8326 -4.8326 3.8123 3.8123 4.2561 4.2561 5.3417 5.3417 5.8356 5.8356 6.1541 6.1541 6.5732 6.5732 8.6543 8.6543 9.0465 9.0465 9.7878 9.7878 10.5705 10.5705 k = 0.1500 0.2598 0.2946 ( 2800 PWs) bands (ev): -49.6964 -49.6964 -26.3854 -26.3854 -25.7412 -25.7412 -25.7147 -25.7147 -5.0547 -5.0547 -4.8547 -4.8547 3.8522 3.8522 4.3014 4.3014 5.3479 5.3479 5.8630 5.8630 6.2220 6.2220 6.5877 6.5877 8.6460 8.6460 9.0603 9.0603 9.8051 9.8051 10.5342 10.5342 k = 0.1444 0.2502 0.2946 ( 2796 PWs) bands (ev): -49.6966 -49.6966 -26.3845 -26.3845 -25.7395 -25.7395 -25.7146 -25.7146 -5.0928 -5.0928 -4.8766 -4.8766 3.8941 3.8941 4.3385 4.3385 5.3626 5.3626 5.8906 5.8906 6.2886 6.2886 6.6003 6.6003 8.6384 8.6384 9.0740 9.0740 9.8184 9.8184 10.5021 10.5021 k = 0.1389 0.2406 0.2946 ( 2802 PWs) bands (ev): -49.6969 -49.6969 -26.3836 -26.3836 -25.7378 -25.7378 -25.7146 -25.7146 -5.1304 -5.1304 -4.8981 -4.8981 3.9379 3.9379 4.3667 4.3667 5.3855 5.3855 5.9195 5.9195 6.3520 6.3520 6.6130 6.6130 8.6314 8.6314 9.0871 9.0871 9.8273 9.8273 10.4751 10.4751 k = 0.1333 0.2309 0.2946 ( 2802 PWs) bands (ev): -49.6971 -49.6971 -26.3827 -26.3827 -25.7361 -25.7361 -25.7145 -25.7145 -5.1675 -5.1675 -4.9192 -4.9192 3.9835 3.9835 4.3857 4.3857 5.4156 5.4156 5.9510 5.9510 6.4085 6.4085 6.6293 6.6293 8.6251 8.6251 9.0985 9.0985 9.8318 9.8318 10.4543 10.4543 k = 0.1278 0.2213 0.2946 ( 2802 PWs) bands (ev): -49.6973 -49.6973 -26.3818 -26.3818 -25.7344 -25.7344 -25.7145 -25.7145 -5.2038 -5.2038 -4.9399 -4.9399 4.0309 4.0309 4.3960 4.3960 5.4507 5.4507 5.9870 5.9870 6.4518 6.4518 6.6556 6.6556 8.6194 8.6194 9.1073 9.1073 9.8316 9.8316 10.4406 10.4406 k = 0.1222 0.2117 0.2946 ( 2806 PWs) bands (ev): -49.6975 -49.6975 -26.3810 -26.3810 -25.7327 -25.7327 -25.7144 -25.7144 -5.2392 -5.2392 -4.9602 -4.9602 4.0798 4.0798 4.3988 4.3988 5.4879 5.4879 6.0291 6.0291 6.4765 6.4765 6.6974 6.6974 8.6142 8.6142 9.1127 9.1127 9.8270 9.8270 10.4350 10.4350 k = 0.1167 0.2021 0.2946 ( 2810 PWs) bands (ev): -49.6977 -49.6977 -26.3801 -26.3801 -25.7310 -25.7310 -25.7144 -25.7144 -5.2738 -5.2738 -4.9798 -4.9798 4.1301 4.1301 4.3955 4.3955 5.5240 5.5240 6.0791 6.0791 6.4840 6.4840 6.7535 6.7535 8.6094 8.6094 9.1137 9.1137 9.8180 9.8180 10.4381 10.4381 k = 0.1111 0.1925 0.2946 ( 2810 PWs) bands (ev): -49.6979 -49.6979 -26.3793 -26.3793 -25.7294 -25.7294 -25.7143 -25.7143 -5.3073 -5.3073 -4.9989 -4.9989 4.1812 4.1812 4.3876 4.3876 5.5566 5.5566 6.1373 6.1373 6.4805 6.4805 6.8189 6.8189 8.6050 8.6050 9.1097 9.1097 9.8050 9.8050 10.4504 10.4504 k = 0.1056 0.1828 0.2946 ( 2806 PWs) bands (ev): -49.6981 -49.6981 -26.3784 -26.3784 -25.7277 -25.7277 -25.7142 -25.7142 -5.3397 -5.3397 -5.0174 -5.0174 4.2322 4.2322 4.3777 4.3777 5.5839 5.5839 6.2023 6.2023 6.4721 6.4721 6.8893 6.8893 8.6009 8.6009 9.1003 9.1003 9.7880 9.7880 10.4720 10.4720 k = 0.1000 0.1732 0.2946 ( 2806 PWs) bands (ev): -49.6983 -49.6983 -26.3776 -26.3776 -25.7262 -25.7262 -25.7142 -25.7142 -5.3710 -5.3710 -5.0352 -5.0352 4.2787 4.2787 4.3706 4.3706 5.6054 5.6054 6.2673 6.2673 6.4672 6.4672 6.9626 6.9626 8.5969 8.5969 9.0853 9.0853 9.7672 9.7672 10.5029 10.5029 k = 0.0944 0.1636 0.2946 ( 2802 PWs) bands (ev): -49.6985 -49.6985 -26.3769 -26.3769 -25.7246 -25.7246 -25.7141 -25.7141 -5.4010 -5.4010 -5.0523 -5.0523 4.3047 4.3047 4.3835 4.3835 5.6215 5.6215 6.3130 6.3130 6.4852 6.4852 7.0375 7.0375 8.5931 8.5931 9.0650 9.0650 9.7429 9.7429 10.5426 10.5426 k = 0.0889 0.1540 0.2946 ( 2804 PWs) bands (ev): -49.6987 -49.6987 -26.3761 -26.3761 -25.7232 -25.7232 -25.7140 -25.7140 -5.4296 -5.4296 -5.0686 -5.0686 4.3007 4.3007 4.4264 4.4264 5.6329 5.6329 6.3193 6.3193 6.5456 6.5456 7.1133 7.1133 8.5892 8.5892 9.0395 9.0395 9.7151 9.7151 10.5904 10.5904 k = 0.0833 0.1443 0.2946 ( 2814 PWs) bands (ev): -49.6989 -49.6989 -26.3755 -26.3755 -25.7219 -25.7219 -25.7140 -25.7140 -5.4568 -5.4568 -5.0841 -5.0841 4.2856 4.2856 4.4808 4.4808 5.6405 5.6405 6.2992 6.2992 6.6345 6.6345 7.1897 7.1897 8.5852 8.5852 9.0095 9.0095 9.6839 9.6839 10.6453 10.6453 k = 0.0778 0.1347 0.2946 ( 2806 PWs) bands (ev): -49.6991 -49.6991 -26.3748 -26.3748 -25.7205 -25.7205 -25.7138 -25.7138 -5.4826 -5.4826 -5.0988 -5.0988 4.2677 4.2677 4.5390 4.5390 5.6450 5.6450 6.2674 6.2674 6.7361 6.7361 7.2663 7.2663 8.5808 8.5808 8.9755 8.9755 9.6496 9.6496 10.7064 10.7064 k = 0.0722 0.1251 0.2946 ( 2802 PWs) bands (ev): -49.6992 -49.6992 -26.3741 -26.3741 -25.7194 -25.7194 -25.7136 -25.7136 -5.5069 -5.5069 -5.1126 -5.1126 4.2489 4.2489 4.5990 4.5990 5.6471 5.6471 6.2293 6.2293 6.8440 6.8440 7.3429 7.3429 8.5761 8.5761 8.9379 8.9379 9.6122 9.6122 10.7724 10.7724 k = 0.0667 0.1155 0.2946 ( 2802 PWs) bands (ev): -49.6994 -49.6994 -26.3735 -26.3735 -25.7183 -25.7183 -25.7134 -25.7134 -5.5295 -5.5295 -5.1255 -5.1255 4.2304 4.2304 4.6602 4.6602 5.6474 5.6474 6.1872 6.1872 6.9552 6.9552 7.4194 7.4194 8.5707 8.5707 8.8975 8.8975 9.5719 9.5719 10.8423 10.8423 k = 0.0611 0.1058 0.2946 ( 2806 PWs) bands (ev): -49.6995 -49.6995 -26.3730 -26.3730 -25.7175 -25.7175 -25.7131 -25.7131 -5.5505 -5.5505 -5.1375 -5.1375 4.2123 4.2123 4.7223 4.7223 5.6463 5.6463 6.1419 6.1419 7.0680 7.0680 7.4957 7.4957 8.5644 8.5644 8.8546 8.8546 9.5288 9.5288 10.9147 10.9147 k = 0.0556 0.0962 0.2946 ( 2802 PWs) bands (ev): -49.6997 -49.6997 -26.3725 -26.3725 -25.7168 -25.7168 -25.7126 -25.7126 -5.5699 -5.5699 -5.1486 -5.1486 4.1952 4.1952 4.7849 4.7849 5.6442 5.6442 6.0942 6.0942 7.1810 7.1810 7.5718 7.5718 8.5569 8.5569 8.8097 8.8097 9.4834 9.4834 10.9882 10.9882 k = 0.0500 0.0866 0.2946 ( 2806 PWs) bands (ev): -49.6998 -49.6998 -26.3720 -26.3720 -25.7163 -25.7163 -25.7122 -25.7122 -5.5875 -5.5875 -5.1586 -5.1586 4.1792 4.1792 4.8479 4.8479 5.6413 5.6413 6.0446 6.0446 7.2928 7.2928 7.6478 7.6478 8.5478 8.5478 8.7634 8.7634 9.4360 9.4360 11.0614 11.0614 k = 0.0444 0.0770 0.2946 ( 2806 PWs) bands (ev): -49.6999 -49.6999 -26.3716 -26.3716 -25.7160 -25.7160 -25.7116 -25.7116 -5.6034 -5.6034 -5.1677 -5.1677 4.1646 4.1646 4.9110 4.9110 5.6378 5.6378 5.9936 5.9936 7.4023 7.4023 7.7237 7.7237 8.5363 8.5363 8.7161 8.7161 9.3873 9.3873 11.1327 11.1327 k = 0.0389 0.0674 0.2946 ( 2802 PWs) bands (ev): -49.7000 -49.7000 -26.3712 -26.3712 -25.7157 -25.7157 -25.7110 -25.7110 -5.6175 -5.6175 -5.1757 -5.1757 4.1513 4.1513 4.9738 4.9738 5.6337 5.6337 5.9418 5.9418 7.5081 7.5081 7.7998 7.7998 8.5217 8.5217 8.6684 8.6684 9.3380 9.3380 11.2000 11.2000 k = 0.0333 0.0577 0.2946 ( 2806 PWs) bands (ev): -49.7001 -49.7001 -26.3709 -26.3709 -25.7156 -25.7156 -25.7105 -25.7105 -5.6297 -5.6297 -5.1827 -5.1827 4.1397 4.1397 5.0359 5.0359 5.6289 5.6289 5.8900 5.8900 7.6086 7.6086 7.8761 7.8761 8.5029 8.5029 8.6210 8.6210 9.2894 9.2894 11.2612 11.2612 k = 0.0278 0.0481 0.2946 ( 2806 PWs) bands (ev): -49.7001 -49.7001 -26.3706 -26.3706 -25.7155 -25.7155 -25.7100 -25.7100 -5.6402 -5.6402 -5.1887 -5.1887 4.1296 4.1296 5.0968 5.0968 5.6230 5.6230 5.8394 5.8394 7.7023 7.7023 7.9528 7.9528 8.4789 8.4789 8.5746 8.5746 9.2429 9.2429 11.3143 11.3143 k = 0.0222 0.0385 0.2946 ( 2802 PWs) bands (ev): -49.7002 -49.7002 -26.3704 -26.3704 -25.7154 -25.7154 -25.7095 -25.7095 -5.6487 -5.6487 -5.1936 -5.1936 4.1214 4.1214 5.1555 5.1555 5.6151 5.6151 5.7920 5.7920 7.7873 7.7873 8.0297 8.0297 8.4492 8.4492 8.5292 8.5292 9.2004 9.2004 11.3574 11.3574 k = 0.0167 0.0289 0.2946 ( 2798 PWs) bands (ev): -49.7002 -49.7002 -26.3702 -26.3702 -25.7153 -25.7153 -25.7092 -25.7092 -5.6554 -5.6554 -5.1974 -5.1974 4.1149 4.1149 5.2103 5.2103 5.6038 5.6038 5.7509 5.7509 7.8615 7.8615 8.1059 8.1059 8.4155 8.4155 8.4837 8.4837 9.1641 9.1641 11.3898 11.3898 k = 0.0111 0.0192 0.2946 ( 2798 PWs) bands (ev): -49.7003 -49.7003 -26.3701 -26.3701 -25.7153 -25.7153 -25.7089 -25.7089 -5.6602 -5.6602 -5.2001 -5.2001 4.1102 4.1102 5.2582 5.2582 5.5883 5.5883 5.7203 5.7203 7.9217 7.9217 8.1800 8.1800 8.3822 8.3822 8.4357 8.4357 9.1362 9.1362 11.4119 11.4119 k = 0.0056 0.0096 0.2946 ( 2794 PWs) bands (ev): -49.7003 -49.7003 -26.3700 -26.3700 -25.7152 -25.7152 -25.7087 -25.7087 -5.6630 -5.6630 -5.2018 -5.2018 4.1074 4.1074 5.2934 5.2934 5.5719 5.5719 5.7025 5.7025 7.9628 7.9628 8.2494 8.2494 8.3564 8.3564 8.3838 8.3838 9.1186 9.1186 11.4246 11.4246 k = 0.0000 0.0000 0.2946 ( 2786 PWs) bands (ev): -49.7003 -49.7003 -26.3699 -26.3699 -25.7152 -25.7152 -25.7086 -25.7086 -5.6640 -5.6640 -5.2023 -5.2023 4.1064 4.1064 5.3069 5.3069 5.5643 5.5643 5.6969 5.6969 7.9777 7.9777 8.2968 8.2968 8.3426 8.3426 8.3464 8.3464 9.1125 9.1125 11.4287 11.4287 k = 0.5000 0.2887 0.2946 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7694 -25.7694 -25.7125 -25.7125 -4.5773 -4.5773 -4.2974 -4.2974 2.6491 2.6491 3.3407 3.3407 5.1535 5.1535 5.4225 5.4225 6.6096 6.6096 6.9631 6.9631 7.7423 7.7423 9.2484 9.2484 9.6067 9.6067 10.9779 10.9779 k = 0.5000 0.2887 0.2837 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.5771 -4.5771 -4.2977 -4.2977 2.6492 2.6492 3.3426 3.3426 5.1529 5.1529 5.4229 5.4229 6.6056 6.6056 6.9611 6.9611 7.7443 7.7443 9.2485 9.2485 9.6068 9.6068 10.9796 10.9796 k = 0.5000 0.2887 0.2728 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.5765 -4.5765 -4.2985 -4.2985 2.6496 2.6496 3.3486 3.3486 5.1511 5.1511 5.4241 5.4241 6.5934 6.5934 6.9550 6.9550 7.7501 7.7501 9.2485 9.2485 9.6072 9.6072 10.9848 10.9848 k = 0.5000 0.2887 0.2619 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.5755 -4.5755 -4.2999 -4.2999 2.6502 2.6502 3.3584 3.3584 5.1481 5.1481 5.4261 5.4261 6.5732 6.5732 6.9453 6.9453 7.7594 7.7594 9.2485 9.2485 9.6079 9.6079 10.9934 10.9934 k = 0.5000 0.2887 0.2510 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.5742 -4.5742 -4.3018 -4.3018 2.6511 2.6511 3.3721 3.3721 5.1439 5.1439 5.4290 5.4290 6.5454 6.5454 6.9325 6.9325 7.7716 7.7716 9.2486 9.2486 9.6088 9.6088 11.0052 11.0052 k = 0.5000 0.2887 0.2401 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5724 -4.5724 -4.3043 -4.3043 2.6522 2.6522 3.3894 3.3894 5.1386 5.1386 5.4328 5.4328 6.5104 6.5104 6.9172 6.9172 7.7859 7.7859 9.2487 9.2487 9.6100 9.6100 11.0201 11.0201 k = 0.5000 0.2887 0.2291 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5703 -4.5703 -4.3072 -4.3072 2.6538 2.6538 3.4103 3.4103 5.1322 5.1322 5.4374 5.4374 6.4687 6.4687 6.8997 6.8997 7.8017 7.8017 9.2488 9.2488 9.6113 9.6113 11.0380 11.0380 k = 0.5000 0.2887 0.2182 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5679 -4.5679 -4.3107 -4.3107 2.6557 2.6557 3.4346 3.4346 5.1248 5.1248 5.4429 5.4429 6.4210 6.4210 6.8806 6.8806 7.8183 7.8183 9.2490 9.2490 9.6128 9.6128 11.0585 11.0585 k = 0.5000 0.2887 0.2073 ( 2792 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5650 -4.5650 -4.3146 -4.3146 2.6580 2.6580 3.4622 3.4622 5.1164 5.1164 5.4493 5.4493 6.3679 6.3679 6.8601 6.8601 7.8351 7.8351 9.2491 9.2491 9.6144 9.6144 11.0815 11.0815 k = 0.5000 0.2887 0.1964 ( 2796 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.5618 -4.5618 -4.3190 -4.3190 2.6607 2.6607 3.4927 3.4927 5.1072 5.1072 5.4566 5.4566 6.3103 6.3103 6.8384 6.8384 7.8518 7.8518 9.2492 9.2492 9.6162 9.6162 11.1066 11.1066 k = 0.5000 0.2887 0.1855 ( 2802 PWs) bands (ev): -49.6930 -49.6930 -26.4004 -26.4004 -25.7696 -25.7696 -25.7125 -25.7125 -4.5582 -4.5582 -4.3238 -4.3238 2.6639 2.6639 3.5261 3.5261 5.0974 5.0974 5.4648 5.4648 6.2487 6.2487 6.8158 6.8158 7.8680 7.8680 9.2494 9.2494 9.6179 9.6179 11.1334 11.1334 k = 0.5000 0.2887 0.1746 ( 2800 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7696 -25.7696 -25.7125 -25.7125 -4.5543 -4.5543 -4.3290 -4.3290 2.6674 2.6674 3.5620 3.5620 5.0870 5.0870 5.4737 5.4737 6.1839 6.1839 6.7926 6.7926 7.8833 7.8833 9.2495 9.2495 9.6197 9.6197 11.1616 11.1616 k = 0.5000 0.2887 0.1637 ( 2800 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7696 -25.7696 -25.7125 -25.7125 -4.5500 -4.5500 -4.3346 -4.3346 2.6714 2.6714 3.6003 3.6003 5.0765 5.0765 5.4833 5.4833 6.1164 6.1164 6.7688 6.7688 7.8977 7.8977 9.2497 9.2497 9.6215 9.6215 11.1905 11.1905 k = 0.5000 0.2887 0.1528 ( 2800 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7696 -25.7696 -25.7125 -25.7125 -4.5455 -4.5455 -4.3406 -4.3406 2.6756 2.6756 3.6405 3.6405 5.0659 5.0659 5.4934 5.4934 6.0470 6.0470 6.7446 6.7446 7.9111 7.9111 9.2498 9.2498 9.6233 9.6233 11.2195 11.2195 k = 0.5000 0.2887 0.1418 ( 2790 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5406 -4.5406 -4.3469 -4.3469 2.6801 2.6801 3.6825 3.6825 5.0555 5.0555 5.5041 5.5041 5.9760 5.9760 6.7204 6.7204 7.9232 7.9232 9.2500 9.2500 9.6250 9.6250 11.2472 11.2472 k = 0.5000 0.2887 0.1309 ( 2786 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5354 -4.5354 -4.3535 -4.3535 2.6848 2.6848 3.7259 3.7259 5.0458 5.0458 5.5149 5.5149 5.9042 5.9042 6.6963 6.6963 7.9342 7.9342 9.2501 9.2501 9.6266 9.6266 11.2702 11.2702 k = 0.5000 0.2887 0.1200 ( 2786 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5299 -4.5299 -4.3603 -4.3603 2.6897 2.6897 3.7701 3.7701 5.0369 5.0369 5.5258 5.5258 5.8321 5.8321 6.6727 6.6727 7.9441 7.9441 9.2503 9.2503 9.6281 9.6281 11.2777 11.2777 k = 0.5000 0.2887 0.1091 ( 2786 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5242 -4.5242 -4.3673 -4.3673 2.6946 2.6946 3.8149 3.8149 5.0294 5.0294 5.5364 5.5364 5.7605 5.7605 6.6496 6.6496 7.9528 7.9528 9.2504 9.2504 9.6295 9.6295 11.2614 11.2614 k = 0.5000 0.2887 0.0982 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5182 -4.5182 -4.3745 -4.3745 2.6994 2.6994 3.8595 3.8595 5.0236 5.0236 5.5456 5.5456 5.6906 5.6906 6.6275 6.6275 7.9604 7.9604 9.2505 9.2505 9.6308 9.6308 11.2348 11.2348 k = 0.5000 0.2887 0.0873 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5121 -4.5121 -4.3818 -4.3818 2.7041 2.7041 3.9034 3.9034 5.0201 5.0201 5.5496 5.5496 5.6266 5.6266 6.6066 6.6066 7.9671 7.9671 9.2506 9.2506 9.6320 9.6320 11.2072 11.2072 k = 0.5000 0.2887 0.0764 ( 2782 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.5058 -4.5058 -4.3892 -4.3892 2.7085 2.7085 3.9458 3.9458 5.0192 5.0192 5.5261 5.5261 5.5912 5.5912 6.5872 6.5872 7.9727 7.9727 9.2507 9.2507 9.6330 9.6330 11.1811 11.1811 k = 0.5000 0.2887 0.0655 ( 2780 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7695 -25.7695 -25.7124 -25.7124 -4.4993 -4.4993 -4.3966 -4.3966 2.7125 2.7125 3.9857 3.9857 5.0217 5.0217 5.4692 5.4692 5.5906 5.5906 6.5696 6.5696 7.9774 7.9774 9.2508 9.2508 9.6339 9.6339 11.1578 11.1578 k = 0.5000 0.2887 0.0546 ( 2780 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7695 -25.7695 -25.7124 -25.7124 -4.4929 -4.4929 -4.4039 -4.4039 2.7161 2.7161 4.0223 4.0223 5.0281 5.0281 5.4076 5.4076 5.5966 5.5966 6.5541 6.5541 7.9813 7.9813 9.2508 9.2508 9.6347 9.6347 11.1377 11.1377 k = 0.5000 0.2887 0.0436 ( 2788 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.4866 -4.4866 -4.4109 -4.4109 2.7192 2.7192 4.0544 4.0544 5.0388 5.0388 5.3480 5.3480 5.6030 5.6030 6.5409 6.5409 7.9844 7.9844 9.2509 9.2509 9.6353 9.6353 11.1209 11.1209 k = 0.5000 0.2887 0.0327 ( 2794 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7125 -25.7125 -4.4806 -4.4806 -4.4174 -4.4174 2.7217 2.7217 4.0809 4.0809 5.0544 5.0544 5.2924 5.2924 5.6086 5.6086 6.5304 6.5304 7.9868 7.9868 9.2509 9.2509 9.6357 9.6357 11.1077 11.1077 k = 0.5000 0.2887 0.0218 ( 2790 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.4753 -4.4753 -4.4231 -4.4231 2.7235 2.7235 4.1007 4.1007 5.0747 5.0747 5.2425 5.2425 5.6128 5.6128 6.5227 6.5227 7.9884 7.9884 9.2509 9.2509 9.6361 9.6361 11.0983 11.0983 k = 0.5000 0.2887 0.0109 ( 2786 PWs) bands (ev): -49.6930 -49.6930 -26.4003 -26.4003 -25.7695 -25.7695 -25.7124 -25.7124 -4.4715 -4.4715 -4.4272 -4.4272 2.7246 2.7246 4.1130 4.1130 5.0977 5.0977 5.2013 5.2013 5.6154 5.6154 6.5180 6.5180 7.9894 7.9894 9.2510 9.2510 9.6363 9.6363 11.0926 11.0926 k = 0.5000 0.2887-0.0000 ( 2778 PWs) bands (ev): -49.6930 -49.6930 -26.4002 -26.4002 -25.7695 -25.7695 -25.7124 -25.7124 -4.4700 -4.4700 -4.4287 -4.4287 2.7250 2.7250 4.1172 4.1172 5.1114 5.1114 5.1813 5.1813 5.6163 5.6163 6.5165 6.5165 7.9897 7.9897 9.2510 9.2510 9.6364 9.6364 11.0907 11.0907 k = 0.3333 0.5774-0.0000 ( 2790 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3111 -4.3111 -4.3065 -4.3065 3.5890 3.5890 3.8603 3.8603 4.0174 4.0174 5.2776 5.2776 5.3174 5.3174 5.5521 5.5521 9.0004 9.0004 9.4981 9.4981 9.5494 9.5494 10.4654 10.4654 k = 0.3333 0.5774 0.0109 ( 2790 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7199 -25.7199 -4.3111 -4.3111 -4.3064 -4.3064 3.5901 3.5901 3.8590 3.8590 4.0159 4.0159 5.2793 5.2793 5.3193 5.3193 5.5505 5.5505 9.0004 9.0004 9.4963 9.4963 9.5476 9.5476 10.4682 10.4682 k = 0.3333 0.5774 0.0218 ( 2793 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7200 -25.7200 -4.3110 -4.3110 -4.3064 -4.3064 3.5931 3.5931 3.8551 3.8551 4.0113 4.0113 5.2842 5.2842 5.3248 5.3248 5.5459 5.5459 9.0005 9.0005 9.4911 9.4911 9.5422 9.5422 10.4768 10.4768 k = 0.3333 0.5774 0.0327 ( 2793 PWs) bands (ev): -49.6921 -49.6921 -26.4030 -26.4030 -25.7705 -25.7705 -25.7200 -25.7200 -4.3110 -4.3110 -4.3063 -4.3063 3.5982 3.5982 3.8486 3.8486 4.0037 4.0037 5.2920 5.2920 5.3340 5.3340 5.5386 5.5386 9.0006 9.0006 9.4827 9.4827 9.5334 9.5334 10.4907 10.4907 k = 0.3333 0.5774 0.0436 ( 2781 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3109 -4.3109 -4.3063 -4.3063 3.6053 3.6053 3.8398 3.8398 3.9935 3.9935 5.3019 5.3019 5.3465 5.3465 5.5290 5.5290 9.0008 9.0008 9.4713 9.4713 9.5217 9.5217 10.5098 10.5098 k = 0.3333 0.5774 0.0546 ( 2781 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3108 -4.3108 -4.3062 -4.3062 3.6144 3.6144 3.8290 3.8290 3.9809 3.9809 5.3128 5.3128 5.3621 5.3621 5.5183 5.5183 9.0011 9.0011 9.4574 9.4574 9.5073 9.5073 10.5337 10.5337 k = 0.3333 0.5774 0.0655 ( 2781 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3106 -4.3106 -4.3060 -4.3060 3.6254 3.6254 3.8162 3.8162 3.9663 3.9663 5.3228 5.3228 5.3805 5.3805 5.5079 5.5079 9.0014 9.0014 9.4414 9.4414 9.4908 9.4908 10.5617 10.5617 k = 0.3333 0.5774 0.0764 ( 2781 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7199 -25.7199 -4.3105 -4.3105 -4.3059 -4.3059 3.6383 3.6383 3.8019 3.8019 3.9500 3.9500 5.3290 5.3290 5.4013 5.4013 5.5006 5.5006 9.0017 9.0017 9.4237 9.4237 9.4725 9.4725 10.5935 10.5935 k = 0.3333 0.5774 0.0873 ( 2778 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7198 -25.7198 -4.3103 -4.3103 -4.3057 -4.3057 3.6529 3.6529 3.7864 3.7864 3.9325 3.9325 5.3281 5.3281 5.4242 5.4242 5.4996 5.4996 9.0021 9.0021 9.4046 9.4046 9.4530 9.4530 10.6286 10.6286 k = 0.3333 0.5774 0.0982 ( 2760 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3101 -4.3101 -4.3056 -4.3056 3.6693 3.6693 3.7698 3.7698 3.9141 3.9141 5.3177 5.3177 5.4488 5.4488 5.5067 5.5067 9.0025 9.0025 9.3847 9.3847 9.4327 9.4327 10.6665 10.6665 k = 0.3333 0.5774 0.1091 ( 2763 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3100 -4.3100 -4.3054 -4.3054 3.6872 3.6872 3.7526 3.7526 3.8953 3.8953 5.2985 5.2985 5.4746 5.4746 5.5215 5.5215 9.0029 9.0029 9.3642 9.3642 9.4118 9.4118 10.7068 10.7068 k = 0.3333 0.5774 0.1200 ( 2763 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3098 -4.3098 -4.3052 -4.3052 3.7063 3.7063 3.7350 3.7350 3.8767 3.8767 5.2723 5.2723 5.5013 5.5013 5.5417 5.5417 9.0034 9.0034 9.3434 9.3434 9.3907 9.3907 10.7489 10.7489 k = 0.3333 0.5774 0.1309 ( 2760 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3095 -4.3095 -4.3050 -4.3050 3.7173 3.7173 3.7262 3.7262 3.8588 3.8588 5.2412 5.2412 5.5285 5.5285 5.5652 5.5652 9.0039 9.0039 9.3227 9.3227 9.3697 9.3697 10.7926 10.7926 k = 0.3333 0.5774 0.1418 ( 2760 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3093 -4.3093 -4.3048 -4.3048 3.6997 3.6997 3.7456 3.7456 3.8432 3.8432 5.2066 5.2066 5.5558 5.5558 5.5907 5.5907 9.0043 9.0043 9.3023 9.3023 9.3490 9.3490 10.8372 10.8372 k = 0.3333 0.5774 0.1528 ( 2766 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7704 -25.7704 -25.7198 -25.7198 -4.3091 -4.3091 -4.3046 -4.3046 3.6825 3.6825 3.7614 3.7614 3.8329 3.8329 5.1695 5.1695 5.5830 5.5830 5.6170 5.6170 9.0048 9.0048 9.2824 9.2824 9.3289 9.3289 10.8824 10.8824 k = 0.3333 0.5774 0.1637 ( 2775 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7705 -25.7705 -25.7198 -25.7198 -4.3089 -4.3089 -4.3044 -4.3044 3.6658 3.6658 3.7669 3.7669 3.8348 3.8348 5.1307 5.1307 5.6096 5.6096 5.6434 5.6434 9.0052 9.0052 9.2632 9.2632 9.3095 9.3095 10.9278 10.9278 k = 0.3333 0.5774 0.1746 ( 2775 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7704 -25.7704 -25.7198 -25.7198 -4.3087 -4.3087 -4.3042 -4.3042 3.6498 3.6498 3.7605 3.7605 3.8504 3.8504 5.0908 5.0908 5.6353 5.6353 5.6694 5.6694 9.0057 9.0057 9.2448 9.2448 9.2910 9.2910 10.9727 10.9727 k = 0.3333 0.5774 0.1855 ( 2763 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3085 -4.3085 -4.3040 -4.3040 3.6347 3.6347 3.7488 3.7488 3.8731 3.8731 5.0504 5.0504 5.6598 5.6598 5.6944 5.6944 9.0061 9.0061 9.2276 9.2276 9.2736 9.2736 11.0167 11.0167 k = 0.3333 0.5774 0.1964 ( 2769 PWs) bands (ev): -49.6921 -49.6921 -26.4029 -26.4029 -25.7704 -25.7704 -25.7198 -25.7198 -4.3083 -4.3083 -4.3038 -4.3038 3.6206 3.6206 3.7358 3.7358 3.8986 3.8986 5.0102 5.0102 5.6829 5.6829 5.7180 5.7180 9.0065 9.0065 9.2115 9.2115 9.2574 9.2574 11.0592 11.0592 k = 0.3333 0.5774 0.2073 ( 2760 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3081 -4.3081 -4.3036 -4.3036 3.6077 3.6077 3.7230 3.7230 3.9252 3.9252 4.9707 4.9707 5.7043 5.7043 5.7400 5.7400 9.0068 9.0068 9.1967 9.1967 9.2426 9.2426 11.0996 11.0996 k = 0.3333 0.5774 0.2182 ( 2760 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3080 -4.3080 -4.3035 -4.3035 3.5961 3.5961 3.7112 3.7112 3.9519 3.9519 4.9326 4.9326 5.7238 5.7238 5.7601 5.7601 9.0072 9.0072 9.1834 9.1834 9.2293 9.2293 11.1374 11.1374 k = 0.3333 0.5774 0.2291 ( 2751 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3078 -4.3078 -4.3033 -4.3033 3.5858 3.5858 3.7006 3.7006 3.9779 3.9779 4.8966 4.8966 5.7411 5.7411 5.7780 5.7780 9.0075 9.0075 9.1716 9.1716 9.2175 9.2175 11.1718 11.1718 k = 0.3333 0.5774 0.2401 ( 2745 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3077 -4.3077 -4.3032 -4.3032 3.5770 3.5770 3.6914 3.6914 4.0023 4.0023 4.8636 4.8636 5.7561 5.7561 5.7935 5.7935 9.0077 9.0077 9.1615 9.1615 9.2073 9.2073 11.2024 11.2024 k = 0.3333 0.5774 0.2510 ( 2751 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7197 -25.7197 -4.3076 -4.3076 -4.3031 -4.3031 3.5697 3.5697 3.6837 3.6837 4.0243 4.0243 4.8344 4.8344 5.7686 5.7686 5.8064 5.8064 9.0079 9.0079 9.1531 9.1531 9.1990 9.1990 11.2283 11.2283 k = 0.3333 0.5774 0.2619 ( 2757 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7704 -25.7704 -25.7198 -25.7198 -4.3075 -4.3075 -4.3030 -4.3030 3.5640 3.5640 3.6777 3.6777 4.0429 4.0429 4.8102 4.8102 5.7784 5.7784 5.8166 5.8166 9.0080 9.0080 9.1465 9.1465 9.1924 9.1924 11.2492 11.2492 k = 0.3333 0.5774 0.2728 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3074 -4.3074 -4.3030 -4.3030 3.5599 3.5599 3.6734 3.6734 4.0571 4.0571 4.7918 4.7918 5.7855 5.7855 5.8240 5.8240 9.0082 9.0082 9.1418 9.1418 9.1876 9.1876 11.2644 11.2644 k = 0.3333 0.5774 0.2837 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7197 -25.7197 -4.3074 -4.3074 -4.3029 -4.3029 3.5574 3.5574 3.6707 3.6707 4.0661 4.0661 4.7804 4.7804 5.7898 5.7898 5.8285 5.8285 9.0082 9.0082 9.1389 9.1389 9.1848 9.1848 11.2737 11.2737 k = 0.3333 0.5774 0.2946 ( 2754 PWs) bands (ev): -49.6921 -49.6921 -26.4028 -26.4028 -25.7703 -25.7703 -25.7198 -25.7198 -4.3074 -4.3074 -4.3029 -4.3029 3.5565 3.5565 3.6699 3.6699 4.0691 4.0691 4.7765 4.7765 5.7913 5.7913 5.8300 5.8300 9.0082 9.0082 9.1380 9.1380 9.1838 9.1838 11.2769 11.2769 Writing output data file TiSe2.save init_run : 3.11s CPU 12.78s WALL ( 1 calls) electrons : 255.31s CPU 260.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.77s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 255.20s CPU 260.25s WALL ( 1 calls) v_of_rho : 0.35s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.35s CPU 0.60s WALL ( 1 calls) newd : 0.32s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 374 calls) cegterg : 201.52s CPU 203.24s WALL ( 617 calls) Called by sum_band: Called by *egterg: h_psi : 108.46s CPU 113.04s WALL ( 9369 calls) s_psi : 6.06s CPU 6.56s WALL ( 9369 calls) g_psi : 0.27s CPU 0.31s WALL ( 8378 calls) cdiaghg : 62.52s CPU 61.08s WALL ( 8752 calls) cegterg:over : 17.06s CPU 14.76s WALL ( 8378 calls) cegterg:upda : 2.03s CPU 3.86s WALL ( 8378 calls) cegterg:last : 2.39s CPU 3.02s WALL ( 1772 calls) Called by h_psi: h_psi:vloc : 94.57s CPU 98.91s WALL ( 9369 calls) h_psi:vnl : 13.80s CPU 13.86s WALL ( 9369 calls) add_vuspsi : 3.03s CPU 5.03s WALL ( 9369 calls) General routines calbec : 10.75s CPU 8.70s WALL ( 9369 calls) fft : 0.44s CPU 1.51s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 88.15s CPU 91.50s WALL ( 684512 calls) interpolate : 0.19s CPU 0.21s WALL ( 4 calls) davcio : 0.03s CPU 1.49s WALL ( 748 calls) Parallel routines fft_scatter : 68.11s CPU 69.78s WALL ( 684535 calls) PWSCF : 5m 0.51s CPU 6m29.74s WALL This run was terminated on: 12:44:43 21May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=