Program PWSCF v.5.1.1 starts on 9Oct2015 at 15:30:36 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: ./NbInS2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 15 10 3 813 478 79 Max 16 11 4 824 509 90 Sum 745 517 163 39225 23805 4015 bravais-lattice index = 14 lattice parameter (alat) = 6.3117 a.u. unit-cell volume = 531.9983 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.311685 celldm(2)= 1.000000 celldm(3)= 2.443114 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 2.443114 ) 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 0.409314 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 1.00) In 13.00 114.81800 In( 1.00) 12 Sym. Ops. (no 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 [0,1,0] 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 [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 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 inv. 180 deg rotation - cart. axis [0,0,1] 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 369 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0027100 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0027100 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0027100 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0027100 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0027100 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0027100 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0027100 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0027100 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0027100 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0027100 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027100 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0027100 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0027100 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0027100 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0027100 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0027100 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0027100 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0027100 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0027100 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0027100 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0027100 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027100 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0027100 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0027100 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0027100 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0027100 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0027100 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0027100 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0027100 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0027100 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0027100 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0027100 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027100 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0027100 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0027100 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0027100 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0027100 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0027100 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0027100 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0027100 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0027100 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0027100 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0027100 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027100 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0027100 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0027100 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0027100 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0027100 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0027100 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0027100 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0027100 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0027100 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0027100 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0027100 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027100 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027100 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0027100 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0027100 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0027100 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0027100 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0027100 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0027100 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0027100 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027100 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0027100 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0027100 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0027100 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0027100 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0027100 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0027100 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0027100 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027100 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0027100 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0027100 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0027100 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0027100 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0027100 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0027100 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0027100 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027100 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0027100 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0027100 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0027100 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0027100 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0027100 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0027100 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0027100 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027100 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027100 k( 91) = ( 0.3280423 0.5681860 -0.0000000), wk = 0.0027100 k( 92) = ( 0.3227513 0.5590217 -0.0000000), wk = 0.0027100 k( 93) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0027100 k( 94) = ( 0.3121693 0.5406931 -0.0000000), wk = 0.0027100 k( 95) = ( 0.3068783 0.5315288 -0.0000000), wk = 0.0027100 k( 96) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0027100 k( 97) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0027100 k( 98) = ( 0.2910053 0.5040359 -0.0000000), wk = 0.0027100 k( 99) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0027100 k( 100) = ( 0.2804233 0.4857074 -0.0000000), wk = 0.0027100 k( 101) = ( 0.2751323 0.4765431 -0.0000000), wk = 0.0027100 k( 102) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0027100 k( 103) = ( 0.2645503 0.4582145 -0.0000000), wk = 0.0027100 k( 104) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0027100 k( 105) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0027100 k( 106) = ( 0.2486772 0.4307216 -0.0000000), wk = 0.0027100 k( 107) = ( 0.2433862 0.4215573 -0.0000000), wk = 0.0027100 k( 108) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0027100 k( 109) = ( 0.2328042 0.4032288 -0.0000000), wk = 0.0027100 k( 110) = ( 0.2275132 0.3940645 -0.0000000), wk = 0.0027100 k( 111) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027100 k( 112) = ( 0.2169312 0.3757359 -0.0000000), wk = 0.0027100 k( 113) = ( 0.2116402 0.3665716 -0.0000000), wk = 0.0027100 k( 114) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0027100 k( 115) = ( 0.2010582 0.3482430 -0.0000000), wk = 0.0027100 k( 116) = ( 0.1957672 0.3390787 -0.0000000), wk = 0.0027100 k( 117) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0027100 k( 118) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0027100 k( 119) = ( 0.1798942 0.3115859 -0.0000000), wk = 0.0027100 k( 120) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0027100 k( 121) = ( 0.1693122 0.2932573 -0.0000000), wk = 0.0027100 k( 122) = ( 0.1640212 0.2840930 -0.0000000), wk = 0.0027100 k( 123) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0027100 k( 124) = ( 0.1534391 0.2657644 -0.0000000), wk = 0.0027100 k( 125) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0027100 k( 126) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0027100 k( 127) = ( 0.1375661 0.2382715 -0.0000000), wk = 0.0027100 k( 128) = ( 0.1322751 0.2291072 -0.0000000), wk = 0.0027100 k( 129) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0027100 k( 130) = ( 0.1216931 0.2107787 -0.0000000), wk = 0.0027100 k( 131) = ( 0.1164021 0.2016144 -0.0000000), wk = 0.0027100 k( 132) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027100 k( 133) = ( 0.1058201 0.1832858 -0.0000000), wk = 0.0027100 k( 134) = ( 0.1005291 0.1741215 -0.0000000), wk = 0.0027100 k( 135) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0027100 k( 136) = ( 0.0899471 0.1557929 -0.0000000), wk = 0.0027100 k( 137) = ( 0.0846561 0.1466286 -0.0000000), wk = 0.0027100 k( 138) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0027100 k( 139) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0027100 k( 140) = ( 0.0687831 0.1191358 -0.0000000), wk = 0.0027100 k( 141) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0027100 k( 142) = ( 0.0582011 0.1008072 -0.0000000), wk = 0.0027100 k( 143) = ( 0.0529101 0.0916429 -0.0000000), wk = 0.0027100 k( 144) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0027100 k( 145) = ( 0.0423280 0.0733143 -0.0000000), wk = 0.0027100 k( 146) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0027100 k( 147) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0027100 k( 148) = ( 0.0264550 0.0458215 -0.0000000), wk = 0.0027100 k( 149) = ( 0.0211640 0.0366572 -0.0000000), wk = 0.0027100 k( 150) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0027100 k( 151) = ( 0.0105820 0.0183286 -0.0000000), wk = 0.0027100 k( 152) = ( 0.0052910 0.0091643 -0.0000000), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0102328), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.0204657), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.0306985), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.0409314), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.0511642), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.0613971), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.0716299), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.0818627), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.0920956), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.1023284), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.1125613), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.1227941), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.1330270), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.1432598), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.1534926), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.1637255), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.1739583), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.1841912), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.1944240), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.2046569), wk = 0.0027100 k( 175) = ( 0.0000000 0.0000000 0.2046569), wk = 0.0027100 k( 176) = ( 0.0090909 0.0052486 0.2046569), wk = 0.0027100 k( 177) = ( 0.0181818 0.0104973 0.2046569), wk = 0.0027100 k( 178) = ( 0.0272727 0.0157459 0.2046569), wk = 0.0027100 k( 179) = ( 0.0363636 0.0209946 0.2046569), wk = 0.0027100 k( 180) = ( 0.0454546 0.0262432 0.2046569), wk = 0.0027100 k( 181) = ( 0.0545455 0.0314918 0.2046569), wk = 0.0027100 k( 182) = ( 0.0636364 0.0367405 0.2046569), wk = 0.0027100 k( 183) = ( 0.0727273 0.0419891 0.2046569), wk = 0.0027100 k( 184) = ( 0.0818182 0.0472377 0.2046569), wk = 0.0027100 k( 185) = ( 0.0909091 0.0524864 0.2046569), wk = 0.0027100 k( 186) = ( 0.1000000 0.0577350 0.2046569), wk = 0.0027100 k( 187) = ( 0.1090909 0.0629837 0.2046569), wk = 0.0027100 k( 188) = ( 0.1181818 0.0682323 0.2046569), wk = 0.0027100 k( 189) = ( 0.1272727 0.0734809 0.2046569), wk = 0.0027100 k( 190) = ( 0.1363636 0.0787296 0.2046569), wk = 0.0027100 k( 191) = ( 0.1454545 0.0839782 0.2046569), wk = 0.0027100 k( 192) = ( 0.1545455 0.0892269 0.2046569), wk = 0.0027100 k( 193) = ( 0.1636364 0.0944755 0.2046569), wk = 0.0027100 k( 194) = ( 0.1727273 0.0997241 0.2046569), wk = 0.0027100 k( 195) = ( 0.1818182 0.1049728 0.2046569), wk = 0.0027100 k( 196) = ( 0.1909091 0.1102214 0.2046569), wk = 0.0027100 k( 197) = ( 0.2000000 0.1154701 0.2046569), wk = 0.0027100 k( 198) = ( 0.2090909 0.1207187 0.2046569), wk = 0.0027100 k( 199) = ( 0.2181818 0.1259673 0.2046569), wk = 0.0027100 k( 200) = ( 0.2272727 0.1312160 0.2046569), wk = 0.0027100 k( 201) = ( 0.2363636 0.1364646 0.2046569), wk = 0.0027100 k( 202) = ( 0.2454545 0.1417133 0.2046569), wk = 0.0027100 k( 203) = ( 0.2545455 0.1469619 0.2046569), wk = 0.0027100 k( 204) = ( 0.2636364 0.1522105 0.2046569), wk = 0.0027100 k( 205) = ( 0.2727273 0.1574592 0.2046569), wk = 0.0027100 k( 206) = ( 0.2818182 0.1627078 0.2046569), wk = 0.0027100 k( 207) = ( 0.2909091 0.1679564 0.2046569), wk = 0.0027100 k( 208) = ( 0.3000000 0.1732051 0.2046569), wk = 0.0027100 k( 209) = ( 0.3090909 0.1784537 0.2046569), wk = 0.0027100 k( 210) = ( 0.3181818 0.1837024 0.2046569), wk = 0.0027100 k( 211) = ( 0.3272727 0.1889510 0.2046569), wk = 0.0027100 k( 212) = ( 0.3363636 0.1941996 0.2046569), wk = 0.0027100 k( 213) = ( 0.3454546 0.1994483 0.2046569), wk = 0.0027100 k( 214) = ( 0.3545454 0.2046969 0.2046569), wk = 0.0027100 k( 215) = ( 0.3636364 0.2099456 0.2046569), wk = 0.0027100 k( 216) = ( 0.3727273 0.2151942 0.2046569), wk = 0.0027100 k( 217) = ( 0.3818182 0.2204428 0.2046569), wk = 0.0027100 k( 218) = ( 0.3909091 0.2256915 0.2046569), wk = 0.0027100 k( 219) = ( 0.4000000 0.2309401 0.2046569), wk = 0.0027100 k( 220) = ( 0.4090909 0.2361887 0.2046569), wk = 0.0027100 k( 221) = ( 0.4181818 0.2414374 0.2046569), wk = 0.0027100 k( 222) = ( 0.4272727 0.2466860 0.2046569), wk = 0.0027100 k( 223) = ( 0.4363636 0.2519347 0.2046569), wk = 0.0027100 k( 224) = ( 0.4454546 0.2571833 0.2046569), wk = 0.0027100 k( 225) = ( 0.4545455 0.2624319 0.2046569), wk = 0.0027100 k( 226) = ( 0.4636364 0.2676806 0.2046569), wk = 0.0027100 k( 227) = ( 0.4727273 0.2729292 0.2046569), wk = 0.0027100 k( 228) = ( 0.4818182 0.2781779 0.2046569), wk = 0.0027100 k( 229) = ( 0.4909091 0.2834265 0.2046569), wk = 0.0027100 k( 230) = ( 0.5000000 0.2886751 0.2046569), wk = 0.0027100 k( 231) = ( 0.5000000 0.2886751 0.2046569), wk = 0.0027100 k( 232) = ( 0.4947917 0.2976962 0.2046569), wk = 0.0027100 k( 233) = ( 0.4895833 0.3067173 0.2046569), wk = 0.0027100 k( 234) = ( 0.4843750 0.3157384 0.2046569), wk = 0.0027100 k( 235) = ( 0.4791667 0.3247595 0.2046569), wk = 0.0027100 k( 236) = ( 0.4739583 0.3337806 0.2046569), wk = 0.0027100 k( 237) = ( 0.4687500 0.3428017 0.2046569), wk = 0.0027100 k( 238) = ( 0.4635417 0.3518228 0.2046569), wk = 0.0027100 k( 239) = ( 0.4583333 0.3608439 0.2046569), wk = 0.0027100 k( 240) = ( 0.4531250 0.3698650 0.2046569), wk = 0.0027100 k( 241) = ( 0.4479167 0.3788861 0.2046569), wk = 0.0027100 k( 242) = ( 0.4427083 0.3879072 0.2046569), wk = 0.0027100 k( 243) = ( 0.4375000 0.3969283 0.2046569), wk = 0.0027100 k( 244) = ( 0.4322917 0.4059494 0.2046569), wk = 0.0027100 k( 245) = ( 0.4270833 0.4149705 0.2046569), wk = 0.0027100 k( 246) = ( 0.4218750 0.4239916 0.2046569), wk = 0.0027100 k( 247) = ( 0.4166667 0.4330127 0.2046569), wk = 0.0027100 k( 248) = ( 0.4114583 0.4420338 0.2046569), wk = 0.0027100 k( 249) = ( 0.4062500 0.4510549 0.2046569), wk = 0.0027100 k( 250) = ( 0.4010417 0.4600760 0.2046569), wk = 0.0027100 k( 251) = ( 0.3958333 0.4690971 0.2046569), wk = 0.0027100 k( 252) = ( 0.3906250 0.4781182 0.2046569), wk = 0.0027100 k( 253) = ( 0.3854167 0.4871393 0.2046569), wk = 0.0027100 k( 254) = ( 0.3802083 0.4961604 0.2046569), wk = 0.0027100 k( 255) = ( 0.3750000 0.5051815 0.2046569), wk = 0.0027100 k( 256) = ( 0.3697917 0.5142026 0.2046569), wk = 0.0027100 k( 257) = ( 0.3645833 0.5232237 0.2046569), wk = 0.0027100 k( 258) = ( 0.3593750 0.5322448 0.2046569), wk = 0.0027100 k( 259) = ( 0.3541667 0.5412659 0.2046569), wk = 0.0027100 k( 260) = ( 0.3489583 0.5502870 0.2046569), wk = 0.0027100 k( 261) = ( 0.3437500 0.5593081 0.2046569), wk = 0.0027100 k( 262) = ( 0.3385417 0.5683292 0.2046569), wk = 0.0027100 k( 263) = ( 0.3333333 0.5773503 0.2046569), wk = 0.0027100 k( 264) = ( 0.3333333 0.5773503 0.2046569), wk = 0.0027100 k( 265) = ( 0.3280423 0.5681860 0.2046569), wk = 0.0027100 k( 266) = ( 0.3227513 0.5590217 0.2046569), wk = 0.0027100 k( 267) = ( 0.3174603 0.5498574 0.2046569), wk = 0.0027100 k( 268) = ( 0.3121693 0.5406931 0.2046569), wk = 0.0027100 k( 269) = ( 0.3068783 0.5315288 0.2046569), wk = 0.0027100 k( 270) = ( 0.3015873 0.5223645 0.2046569), wk = 0.0027100 k( 271) = ( 0.2962963 0.5132002 0.2046569), wk = 0.0027100 k( 272) = ( 0.2910053 0.5040359 0.2046569), wk = 0.0027100 k( 273) = ( 0.2857143 0.4948717 0.2046569), wk = 0.0027100 k( 274) = ( 0.2804233 0.4857074 0.2046569), wk = 0.0027100 k( 275) = ( 0.2751323 0.4765431 0.2046569), wk = 0.0027100 k( 276) = ( 0.2698413 0.4673788 0.2046569), wk = 0.0027100 k( 277) = ( 0.2645503 0.4582145 0.2046569), wk = 0.0027100 k( 278) = ( 0.2592593 0.4490502 0.2046569), wk = 0.0027100 k( 279) = ( 0.2539683 0.4398859 0.2046569), wk = 0.0027100 k( 280) = ( 0.2486772 0.4307216 0.2046569), wk = 0.0027100 k( 281) = ( 0.2433862 0.4215573 0.2046569), wk = 0.0027100 k( 282) = ( 0.2380952 0.4123931 0.2046569), wk = 0.0027100 k( 283) = ( 0.2328042 0.4032288 0.2046569), wk = 0.0027100 k( 284) = ( 0.2275132 0.3940645 0.2046569), wk = 0.0027100 k( 285) = ( 0.2222222 0.3849002 0.2046569), wk = 0.0027100 k( 286) = ( 0.2169312 0.3757359 0.2046569), wk = 0.0027100 k( 287) = ( 0.2116402 0.3665716 0.2046569), wk = 0.0027100 k( 288) = ( 0.2063492 0.3574073 0.2046569), wk = 0.0027100 k( 289) = ( 0.2010582 0.3482430 0.2046569), wk = 0.0027100 k( 290) = ( 0.1957672 0.3390787 0.2046569), wk = 0.0027100 k( 291) = ( 0.1904762 0.3299144 0.2046569), wk = 0.0027100 k( 292) = ( 0.1851852 0.3207502 0.2046569), wk = 0.0027100 k( 293) = ( 0.1798942 0.3115859 0.2046569), wk = 0.0027100 k( 294) = ( 0.1746032 0.3024216 0.2046569), wk = 0.0027100 k( 295) = ( 0.1693122 0.2932573 0.2046569), wk = 0.0027100 k( 296) = ( 0.1640212 0.2840930 0.2046569), wk = 0.0027100 k( 297) = ( 0.1587302 0.2749287 0.2046569), wk = 0.0027100 k( 298) = ( 0.1534391 0.2657644 0.2046569), wk = 0.0027100 k( 299) = ( 0.1481482 0.2566001 0.2046569), wk = 0.0027100 k( 300) = ( 0.1428571 0.2474358 0.2046569), wk = 0.0027100 k( 301) = ( 0.1375661 0.2382715 0.2046569), wk = 0.0027100 k( 302) = ( 0.1322751 0.2291072 0.2046569), wk = 0.0027100 k( 303) = ( 0.1269841 0.2199430 0.2046569), wk = 0.0027100 k( 304) = ( 0.1216931 0.2107787 0.2046569), wk = 0.0027100 k( 305) = ( 0.1164021 0.2016144 0.2046569), wk = 0.0027100 k( 306) = ( 0.1111111 0.1924501 0.2046569), wk = 0.0027100 k( 307) = ( 0.1058201 0.1832858 0.2046569), wk = 0.0027100 k( 308) = ( 0.1005291 0.1741215 0.2046569), wk = 0.0027100 k( 309) = ( 0.0952381 0.1649572 0.2046569), wk = 0.0027100 k( 310) = ( 0.0899471 0.1557929 0.2046569), wk = 0.0027100 k( 311) = ( 0.0846561 0.1466286 0.2046569), wk = 0.0027100 k( 312) = ( 0.0793651 0.1374644 0.2046569), wk = 0.0027100 k( 313) = ( 0.0740741 0.1283001 0.2046569), wk = 0.0027100 k( 314) = ( 0.0687831 0.1191358 0.2046569), wk = 0.0027100 k( 315) = ( 0.0634921 0.1099715 0.2046569), wk = 0.0027100 k( 316) = ( 0.0582011 0.1008072 0.2046569), wk = 0.0027100 k( 317) = ( 0.0529101 0.0916429 0.2046569), wk = 0.0027100 k( 318) = ( 0.0476191 0.0824786 0.2046569), wk = 0.0027100 k( 319) = ( 0.0423280 0.0733143 0.2046569), wk = 0.0027100 k( 320) = ( 0.0370370 0.0641500 0.2046569), wk = 0.0027100 k( 321) = ( 0.0317460 0.0549857 0.2046569), wk = 0.0027100 k( 322) = ( 0.0264550 0.0458215 0.2046569), wk = 0.0027100 k( 323) = ( 0.0211640 0.0366572 0.2046569), wk = 0.0027100 k( 324) = ( 0.0158730 0.0274929 0.2046569), wk = 0.0027100 k( 325) = ( 0.0105820 0.0183286 0.2046569), wk = 0.0027100 k( 326) = ( 0.0052910 0.0091643 0.2046569), wk = 0.0027100 k( 327) = ( 0.0000000 0.0000000 0.2046569), wk = 0.0027100 k( 328) = ( 0.5000000 0.2886751 0.2046569), wk = 0.0027100 k( 329) = ( 0.5000000 0.2886751 0.1944240), wk = 0.0027100 k( 330) = ( 0.5000000 0.2886751 0.1841912), wk = 0.0027100 k( 331) = ( 0.5000000 0.2886751 0.1739583), wk = 0.0027100 k( 332) = ( 0.5000000 0.2886751 0.1637255), wk = 0.0027100 k( 333) = ( 0.5000000 0.2886751 0.1534926), wk = 0.0027100 k( 334) = ( 0.5000000 0.2886751 0.1432598), wk = 0.0027100 k( 335) = ( 0.5000000 0.2886751 0.1330270), wk = 0.0027100 k( 336) = ( 0.5000000 0.2886751 0.1227941), wk = 0.0027100 k( 337) = ( 0.5000000 0.2886751 0.1125613), wk = 0.0027100 k( 338) = ( 0.5000000 0.2886751 0.1023284), wk = 0.0027100 k( 339) = ( 0.5000000 0.2886751 0.0920956), wk = 0.0027100 k( 340) = ( 0.5000000 0.2886751 0.0818627), wk = 0.0027100 k( 341) = ( 0.5000000 0.2886751 0.0716299), wk = 0.0027100 k( 342) = ( 0.5000000 0.2886751 0.0613971), wk = 0.0027100 k( 343) = ( 0.5000000 0.2886751 0.0511642), wk = 0.0027100 k( 344) = ( 0.5000000 0.2886751 0.0409314), wk = 0.0027100 k( 345) = ( 0.5000000 0.2886751 0.0306985), wk = 0.0027100 k( 346) = ( 0.5000000 0.2886751 0.0204657), wk = 0.0027100 k( 347) = ( 0.5000000 0.2886751 0.0102328), wk = 0.0027100 k( 348) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027100 k( 349) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027100 k( 350) = ( 0.3333333 0.5773503 0.0102328), wk = 0.0027100 k( 351) = ( 0.3333333 0.5773503 0.0204657), wk = 0.0027100 k( 352) = ( 0.3333333 0.5773503 0.0306985), wk = 0.0027100 k( 353) = ( 0.3333333 0.5773503 0.0409314), wk = 0.0027100 k( 354) = ( 0.3333333 0.5773503 0.0511642), wk = 0.0027100 k( 355) = ( 0.3333333 0.5773503 0.0613971), wk = 0.0027100 k( 356) = ( 0.3333333 0.5773503 0.0716299), wk = 0.0027100 k( 357) = ( 0.3333333 0.5773503 0.0818627), wk = 0.0027100 k( 358) = ( 0.3333333 0.5773503 0.0920956), wk = 0.0027100 k( 359) = ( 0.3333333 0.5773503 0.1023284), wk = 0.0027100 k( 360) = ( 0.3333333 0.5773503 0.1125613), wk = 0.0027100 k( 361) = ( 0.3333333 0.5773503 0.1227941), wk = 0.0027100 k( 362) = ( 0.3333333 0.5773503 0.1330270), wk = 0.0027100 k( 363) = ( 0.3333333 0.5773503 0.1432598), wk = 0.0027100 k( 364) = ( 0.3333333 0.5773503 0.1534926), wk = 0.0027100 k( 365) = ( 0.3333333 0.5773503 0.1637255), wk = 0.0027100 k( 366) = ( 0.3333333 0.5773503 0.1739583), wk = 0.0027100 k( 367) = ( 0.3333333 0.5773503 0.1841912), wk = 0.0027100 k( 368) = ( 0.3333333 0.5773503 0.1944240), wk = 0.0027100 k( 369) = ( 0.3333333 0.5773503 0.2046569), wk = 0.0027100 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0027100 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0027100 k( 4) = ( 0.0272727 -0.0000000 0.0000000), wk = 0.0027100 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0027100 k( 6) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0027100 k( 7) = ( 0.0545455 -0.0000000 0.0000000), wk = 0.0027100 k( 8) = ( 0.0636364 -0.0000000 0.0000000), wk = 0.0027100 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0027100 k( 10) = ( 0.0818182 -0.0000000 0.0000000), wk = 0.0027100 k( 11) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0027100 k( 12) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0027100 k( 13) = ( 0.1090909 -0.0000000 0.0000000), wk = 0.0027100 k( 14) = ( 0.1181818 -0.0000000 0.0000000), wk = 0.0027100 k( 15) = ( 0.1272727 -0.0000000 0.0000000), wk = 0.0027100 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0027100 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0027100 k( 18) = ( 0.1545455 -0.0000000 0.0000000), wk = 0.0027100 k( 19) = ( 0.1636364 -0.0000000 0.0000000), wk = 0.0027100 k( 20) = ( 0.1727273 -0.0000000 0.0000000), wk = 0.0027100 k( 21) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0027100 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0027100 k( 23) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0027100 k( 24) = ( 0.2090909 -0.0000000 0.0000000), wk = 0.0027100 k( 25) = ( 0.2181818 -0.0000000 0.0000000), wk = 0.0027100 k( 26) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0027100 k( 27) = ( 0.2363636 -0.0000000 0.0000000), wk = 0.0027100 k( 28) = ( 0.2454545 -0.0000000 0.0000000), wk = 0.0027100 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0027100 k( 30) = ( 0.2636364 -0.0000000 0.0000000), wk = 0.0027100 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0027100 k( 32) = ( 0.2818182 0.0000000 -0.0000000), wk = 0.0027100 k( 33) = ( 0.2909091 -0.0000000 0.0000000), wk = 0.0027100 k( 34) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0027100 k( 35) = ( 0.3090909 -0.0000000 0.0000000), wk = 0.0027100 k( 36) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0027100 k( 37) = ( 0.3272727 -0.0000000 0.0000000), wk = 0.0027100 k( 38) = ( 0.3363636 -0.0000000 0.0000000), wk = 0.0027100 k( 39) = ( 0.3454546 -0.0000000 0.0000000), wk = 0.0027100 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0027100 k( 41) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0027100 k( 42) = ( 0.3727273 -0.0000000 0.0000000), wk = 0.0027100 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0027100 k( 44) = ( 0.3909091 -0.0000000 0.0000000), wk = 0.0027100 k( 45) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0027100 k( 46) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0027100 k( 47) = ( 0.4181818 -0.0000000 0.0000000), wk = 0.0027100 k( 48) = ( 0.4272727 -0.0000000 0.0000000), wk = 0.0027100 k( 49) = ( 0.4363636 -0.0000000 0.0000000), wk = 0.0027100 k( 50) = ( 0.4454546 -0.0000000 0.0000000), wk = 0.0027100 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0027100 k( 52) = ( 0.4636364 -0.0000000 0.0000000), wk = 0.0027100 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0027100 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0027100 k( 55) = ( 0.4909091 -0.0000000 0.0000000), wk = 0.0027100 k( 56) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027100 k( 57) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027100 k( 58) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0027100 k( 59) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0027100 k( 60) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0027100 k( 61) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0027100 k( 62) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0027100 k( 63) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0027100 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0027100 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027100 k( 66) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0027100 k( 67) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0027100 k( 68) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0027100 k( 69) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0027100 k( 70) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0027100 k( 71) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0027100 k( 72) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0027100 k( 73) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027100 k( 74) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0027100 k( 75) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0027100 k( 76) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0027100 k( 77) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0027100 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0027100 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0027100 k( 80) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0027100 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0027100 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0027100 k( 83) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0027100 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0027100 k( 85) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0027100 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0027100 k( 87) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0027100 k( 88) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0027100 k( 89) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027100 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027100 k( 91) = ( 0.3280423 0.3280423 0.0000000), wk = 0.0027100 k( 92) = ( 0.3227513 0.3227513 0.0000000), wk = 0.0027100 k( 93) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0027100 k( 94) = ( 0.3121693 0.3121693 0.0000000), wk = 0.0027100 k( 95) = ( 0.3068783 0.3068783 -0.0000000), wk = 0.0027100 k( 96) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0027100 k( 97) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0027100 k( 98) = ( 0.2910053 0.2910053 0.0000000), wk = 0.0027100 k( 99) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027100 k( 100) = ( 0.2804233 0.2804233 0.0000000), wk = 0.0027100 k( 101) = ( 0.2751323 0.2751323 0.0000000), wk = 0.0027100 k( 102) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0027100 k( 103) = ( 0.2645503 0.2645503 0.0000000), wk = 0.0027100 k( 104) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0027100 k( 105) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0027100 k( 106) = ( 0.2486772 0.2486772 0.0000000), wk = 0.0027100 k( 107) = ( 0.2433862 0.2433862 0.0000000), wk = 0.0027100 k( 108) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0027100 k( 109) = ( 0.2328042 0.2328042 0.0000000), wk = 0.0027100 k( 110) = ( 0.2275132 0.2275132 0.0000000), wk = 0.0027100 k( 111) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027100 k( 112) = ( 0.2169312 0.2169312 0.0000000), wk = 0.0027100 k( 113) = ( 0.2116402 0.2116402 0.0000000), wk = 0.0027100 k( 114) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0027100 k( 115) = ( 0.2010582 0.2010582 0.0000000), wk = 0.0027100 k( 116) = ( 0.1957672 0.1957672 0.0000000), wk = 0.0027100 k( 117) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0027100 k( 118) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0027100 k( 119) = ( 0.1798942 0.1798942 0.0000000), wk = 0.0027100 k( 120) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0027100 k( 121) = ( 0.1693122 0.1693122 0.0000000), wk = 0.0027100 k( 122) = ( 0.1640212 0.1640212 0.0000000), wk = 0.0027100 k( 123) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0027100 k( 124) = ( 0.1534391 0.1534391 0.0000000), wk = 0.0027100 k( 125) = ( 0.1481482 0.1481481 0.0000000), wk = 0.0027100 k( 126) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027100 k( 127) = ( 0.1375661 0.1375661 0.0000000), wk = 0.0027100 k( 128) = ( 0.1322751 0.1322751 0.0000000), wk = 0.0027100 k( 129) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0027100 k( 130) = ( 0.1216931 0.1216931 0.0000000), wk = 0.0027100 k( 131) = ( 0.1164021 0.1164021 0.0000000), wk = 0.0027100 k( 132) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027100 k( 133) = ( 0.1058201 0.1058201 0.0000000), wk = 0.0027100 k( 134) = ( 0.1005291 0.1005291 0.0000000), wk = 0.0027100 k( 135) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0027100 k( 136) = ( 0.0899471 0.0899471 0.0000000), wk = 0.0027100 k( 137) = ( 0.0846561 0.0846561 0.0000000), wk = 0.0027100 k( 138) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0027100 k( 139) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0027100 k( 140) = ( 0.0687831 0.0687831 0.0000000), wk = 0.0027100 k( 141) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0027100 k( 142) = ( 0.0582011 0.0582011 0.0000000), wk = 0.0027100 k( 143) = ( 0.0529101 0.0529100 0.0000000), wk = 0.0027100 k( 144) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0027100 k( 145) = ( 0.0423280 0.0423280 0.0000000), wk = 0.0027100 k( 146) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0027100 k( 147) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0027100 k( 148) = ( 0.0264550 0.0264550 0.0000000), wk = 0.0027100 k( 149) = ( 0.0211640 0.0211640 0.0000000), wk = 0.0027100 k( 150) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0027100 k( 151) = ( 0.0105820 0.0105820 0.0000000), wk = 0.0027100 k( 152) = ( 0.0052910 0.0052910 0.0000000), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 176) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0027100 k( 177) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0027100 k( 178) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0027100 k( 179) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0027100 k( 180) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0027100 k( 181) = ( 0.0545455 -0.0000000 0.5000000), wk = 0.0027100 k( 182) = ( 0.0636364 -0.0000000 0.5000000), wk = 0.0027100 k( 183) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0027100 k( 184) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0027100 k( 185) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0027100 k( 186) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027100 k( 187) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0027100 k( 188) = ( 0.1181818 -0.0000000 0.5000000), wk = 0.0027100 k( 189) = ( 0.1272727 -0.0000000 0.5000000), wk = 0.0027100 k( 190) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0027100 k( 191) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0027100 k( 192) = ( 0.1545455 -0.0000000 0.5000000), wk = 0.0027100 k( 193) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0027100 k( 194) = ( 0.1727273 -0.0000000 0.5000000), wk = 0.0027100 k( 195) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0027100 k( 196) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0027100 k( 197) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027100 k( 198) = ( 0.2090909 -0.0000000 0.5000000), wk = 0.0027100 k( 199) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0027100 k( 200) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0027100 k( 201) = ( 0.2363636 -0.0000000 0.5000000), wk = 0.0027100 k( 202) = ( 0.2454545 -0.0000000 0.5000000), wk = 0.0027100 k( 203) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0027100 k( 204) = ( 0.2636364 -0.0000000 0.5000000), wk = 0.0027100 k( 205) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0027100 k( 206) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0027100 k( 207) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0027100 k( 208) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0027100 k( 209) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0027100 k( 210) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0027100 k( 211) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0027100 k( 212) = ( 0.3363636 -0.0000000 0.5000000), wk = 0.0027100 k( 213) = ( 0.3454546 -0.0000000 0.5000000), wk = 0.0027100 k( 214) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0027100 k( 215) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0027100 k( 216) = ( 0.3727273 -0.0000000 0.5000000), wk = 0.0027100 k( 217) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0027100 k( 218) = ( 0.3909091 -0.0000000 0.5000000), wk = 0.0027100 k( 219) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027100 k( 220) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0027100 k( 221) = ( 0.4181818 -0.0000000 0.5000000), wk = 0.0027100 k( 222) = ( 0.4272727 -0.0000000 0.5000000), wk = 0.0027100 k( 223) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0027100 k( 224) = ( 0.4454546 -0.0000000 0.5000000), wk = 0.0027100 k( 225) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0027100 k( 226) = ( 0.4636364 -0.0000000 0.5000000), wk = 0.0027100 k( 227) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0027100 k( 228) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0027100 k( 229) = ( 0.4909091 -0.0000000 0.5000000), wk = 0.0027100 k( 230) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027100 k( 231) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027100 k( 232) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0027100 k( 233) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0027100 k( 234) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0027100 k( 235) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0027100 k( 236) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0027100 k( 237) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0027100 k( 238) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0027100 k( 239) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027100 k( 240) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0027100 k( 241) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0027100 k( 242) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0027100 k( 243) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0027100 k( 244) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0027100 k( 245) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0027100 k( 246) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0027100 k( 247) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027100 k( 248) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0027100 k( 249) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0027100 k( 250) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0027100 k( 251) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0027100 k( 252) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0027100 k( 253) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0027100 k( 254) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0027100 k( 255) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027100 k( 256) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0027100 k( 257) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0027100 k( 258) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0027100 k( 259) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0027100 k( 260) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0027100 k( 261) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0027100 k( 262) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0027100 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027100 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027100 k( 265) = ( 0.3280423 0.3280423 0.5000000), wk = 0.0027100 k( 266) = ( 0.3227513 0.3227513 0.5000000), wk = 0.0027100 k( 267) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0027100 k( 268) = ( 0.3121693 0.3121693 0.5000000), wk = 0.0027100 k( 269) = ( 0.3068783 0.3068783 0.5000000), wk = 0.0027100 k( 270) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0027100 k( 271) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027100 k( 272) = ( 0.2910053 0.2910053 0.5000000), wk = 0.0027100 k( 273) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027100 k( 274) = ( 0.2804233 0.2804233 0.5000000), wk = 0.0027100 k( 275) = ( 0.2751323 0.2751323 0.5000000), wk = 0.0027100 k( 276) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0027100 k( 277) = ( 0.2645503 0.2645503 0.5000000), wk = 0.0027100 k( 278) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027100 k( 279) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0027100 k( 280) = ( 0.2486772 0.2486772 0.5000000), wk = 0.0027100 k( 281) = ( 0.2433862 0.2433862 0.5000000), wk = 0.0027100 k( 282) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0027100 k( 283) = ( 0.2328042 0.2328042 0.5000000), wk = 0.0027100 k( 284) = ( 0.2275132 0.2275132 0.5000000), wk = 0.0027100 k( 285) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027100 k( 286) = ( 0.2169312 0.2169312 0.5000000), wk = 0.0027100 k( 287) = ( 0.2116402 0.2116402 0.5000000), wk = 0.0027100 k( 288) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0027100 k( 289) = ( 0.2010582 0.2010582 0.5000000), wk = 0.0027100 k( 290) = ( 0.1957672 0.1957672 0.5000000), wk = 0.0027100 k( 291) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0027100 k( 292) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027100 k( 293) = ( 0.1798942 0.1798942 0.5000000), wk = 0.0027100 k( 294) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0027100 k( 295) = ( 0.1693122 0.1693122 0.5000000), wk = 0.0027100 k( 296) = ( 0.1640212 0.1640212 0.5000000), wk = 0.0027100 k( 297) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0027100 k( 298) = ( 0.1534391 0.1534391 0.5000000), wk = 0.0027100 k( 299) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0027100 k( 300) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027100 k( 301) = ( 0.1375661 0.1375661 0.5000000), wk = 0.0027100 k( 302) = ( 0.1322751 0.1322751 0.5000000), wk = 0.0027100 k( 303) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0027100 k( 304) = ( 0.1216931 0.1216931 0.5000000), wk = 0.0027100 k( 305) = ( 0.1164021 0.1164021 0.5000000), wk = 0.0027100 k( 306) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027100 k( 307) = ( 0.1058201 0.1058201 0.5000000), wk = 0.0027100 k( 308) = ( 0.1005291 0.1005291 0.5000000), wk = 0.0027100 k( 309) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0027100 k( 310) = ( 0.0899471 0.0899471 0.5000000), wk = 0.0027100 k( 311) = ( 0.0846561 0.0846561 0.5000000), wk = 0.0027100 k( 312) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0027100 k( 313) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027100 k( 314) = ( 0.0687831 0.0687831 0.5000000), wk = 0.0027100 k( 315) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0027100 k( 316) = ( 0.0582011 0.0582011 0.5000000), wk = 0.0027100 k( 317) = ( 0.0529101 0.0529100 0.5000000), wk = 0.0027100 k( 318) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0027100 k( 319) = ( 0.0423280 0.0423280 0.5000000), wk = 0.0027100 k( 320) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027100 k( 321) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0027100 k( 322) = ( 0.0264550 0.0264550 0.5000000), wk = 0.0027100 k( 323) = ( 0.0211640 0.0211640 0.5000000), wk = 0.0027100 k( 324) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0027100 k( 325) = ( 0.0105820 0.0105820 0.5000000), wk = 0.0027100 k( 326) = ( 0.0052910 0.0052910 0.5000000), wk = 0.0027100 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 328) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027100 k( 329) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0027100 k( 330) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0027100 k( 331) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0027100 k( 332) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0027100 k( 333) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0027100 k( 334) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0027100 k( 335) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0027100 k( 336) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0027100 k( 337) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0027100 k( 338) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0027100 k( 339) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0027100 k( 340) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0027100 k( 341) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0027100 k( 342) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0027100 k( 343) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0027100 k( 344) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0027100 k( 345) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0027100 k( 346) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0027100 k( 347) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0027100 k( 348) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027100 k( 349) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027100 k( 350) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0027100 k( 351) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0027100 k( 352) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0027100 k( 353) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0027100 k( 354) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027100 k( 355) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0027100 k( 356) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0027100 k( 357) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0027100 k( 358) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0027100 k( 359) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027100 k( 360) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0027100 k( 361) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0027100 k( 362) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0027100 k( 363) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0027100 k( 364) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027100 k( 365) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0027100 k( 366) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0027100 k( 367) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0027100 k( 368) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0027100 k( 369) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027100 Dense grid: 39225 G-vectors FFT dimensions: ( 36, 36, 81) Smooth grid: 23805 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 122, 46) NL pseudopotentials 0.13 Mb ( 61, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 818) G-vector shells 0.00 Mb ( 417) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 122, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.19 Mb ( 136, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NbInS2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.5 secs Computing kpt #: 2 total cpu time spent up to now is 45.5 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.0 secs Computing kpt #: 7 total cpu time spent up to now is 50.0 secs Computing kpt #: 8 total cpu time spent up to now is 50.9 secs Computing kpt #: 9 total cpu time spent up to now is 52.0 secs Computing kpt #: 10 total cpu time spent up to now is 53.0 secs Computing kpt #: 11 total cpu time spent up to now is 54.0 secs Computing kpt #: 12 total cpu time spent up to now is 55.0 secs Computing kpt #: 13 total cpu time spent up to now is 55.9 secs Computing kpt #: 14 total cpu time spent up to now is 56.9 secs Computing kpt #: 15 total cpu time spent up to now is 57.8 secs Computing kpt #: 16 total cpu time spent up to now is 58.7 secs Computing kpt #: 17 total cpu time spent up to now is 59.6 secs Computing kpt #: 18 total cpu time spent up to now is 60.5 secs Computing kpt #: 19 total cpu time spent up to now is 61.4 secs Computing kpt #: 20 total cpu time spent up to now is 62.4 secs Computing kpt #: 21 total cpu time spent up to now is 63.3 secs Computing kpt #: 22 total cpu time spent up to now is 64.2 secs Computing kpt #: 23 total cpu time spent up to now is 65.2 secs Computing kpt #: 24 total cpu time spent up to now is 66.1 secs Computing kpt #: 25 total cpu time spent up to now is 67.1 secs Computing kpt #: 26 total cpu time spent up to now is 68.1 secs Computing kpt #: 27 total cpu time spent up to now is 69.1 secs Computing kpt #: 28 total cpu time spent up to now is 70.2 secs Computing kpt #: 29 total cpu time spent up to now is 71.3 secs Computing kpt #: 30 total cpu time spent up to now is 72.5 secs Computing kpt #: 31 total cpu time spent up to now is 73.6 secs Computing kpt #: 32 total cpu time spent up to now is 74.6 secs Computing kpt #: 33 total cpu time spent up to now is 75.6 secs Computing kpt #: 34 total cpu time spent up to now is 76.6 secs Computing kpt #: 35 total cpu time spent up to now is 77.7 secs Computing kpt #: 36 total cpu time spent up to now is 78.7 secs Computing kpt #: 37 total cpu time spent up to now is 79.7 secs Computing kpt #: 38 total cpu time spent up to now is 80.7 secs Computing kpt #: 39 total cpu time spent up to now is 81.7 secs Computing kpt #: 40 total cpu time spent up to now is 82.7 secs Computing kpt #: 41 total cpu time spent up to now is 83.8 secs Computing kpt #: 42 total cpu time spent up to now is 84.8 secs Computing kpt #: 43 total cpu time spent up to now is 85.9 secs Computing kpt #: 44 total cpu time spent up to now is 86.9 secs Computing kpt #: 45 total cpu time spent up to now is 87.9 secs Computing kpt #: 46 total cpu time spent up to now is 88.9 secs Computing kpt #: 47 total cpu time spent up to now is 90.1 secs Computing kpt #: 48 total cpu time spent up to now is 91.2 secs Computing kpt #: 49 total cpu time spent up to now is 92.4 secs Computing kpt #: 50 total cpu time spent up to now is 93.3 secs Computing kpt #: 51 total cpu time spent up to now is 94.4 secs Computing kpt #: 52 total cpu time spent up to now is 95.4 secs Computing kpt #: 53 total cpu time spent up to now is 96.4 secs Computing kpt #: 54 total cpu time spent up to now is 97.3 secs Computing kpt #: 55 total cpu time spent up to now is 98.2 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 100.0 secs Computing kpt #: 58 total cpu time spent up to now is 101.0 secs Computing kpt #: 59 total cpu time spent up to now is 101.9 secs Computing kpt #: 60 total cpu time spent up to now is 102.8 secs Computing kpt #: 61 total cpu time spent up to now is 103.8 secs Computing kpt #: 62 total cpu time spent up to now is 104.7 secs Computing kpt #: 63 total cpu time spent up to now is 105.7 secs Computing kpt #: 64 total cpu time spent up to now is 106.7 secs Computing kpt #: 65 total cpu time spent up to now is 107.8 secs Computing kpt #: 66 total cpu time spent up to now is 108.9 secs Computing kpt #: 67 total cpu time spent up to now is 110.0 secs Computing kpt #: 68 total cpu time spent up to now is 111.2 secs Computing kpt #: 69 total cpu time spent up to now is 112.4 secs Computing kpt #: 70 total cpu time spent up to now is 113.6 secs Computing kpt #: 71 total cpu time spent up to now is 114.7 secs Computing kpt #: 72 total cpu time spent up to now is 115.9 secs Computing kpt #: 73 total cpu time spent up to now is 117.1 secs Computing kpt #: 74 total cpu time spent up to now is 118.3 secs Computing kpt #: 75 total cpu time spent up to now is 119.5 secs Computing kpt #: 76 total cpu time spent up to now is 120.7 secs Computing kpt #: 77 total cpu time spent up to now is 121.9 secs Computing kpt #: 78 total cpu time spent up to now is 123.1 secs Computing kpt #: 79 total cpu time spent up to now is 124.3 secs Computing kpt #: 80 total cpu time spent up to now is 125.6 secs Computing kpt #: 81 total cpu time spent up to now is 126.7 secs Computing kpt #: 82 total cpu time spent up to now is 127.9 secs Computing kpt #: 83 total cpu time spent up to now is 129.1 secs Computing kpt #: 84 total cpu time spent up to now is 130.2 secs Computing kpt #: 85 total cpu time spent up to now is 131.4 secs Computing kpt #: 86 total cpu time spent up to now is 132.6 secs Computing kpt #: 87 total cpu time spent up to now is 133.8 secs Computing kpt #: 88 total cpu time spent up to now is 134.9 secs Computing kpt #: 89 total cpu time spent up to now is 136.1 secs Computing kpt #: 90 total cpu time spent up to now is 137.3 secs Computing kpt #: 91 total cpu time spent up to now is 138.4 secs Computing kpt #: 92 total cpu time spent up to now is 139.5 secs Computing kpt #: 93 total cpu time spent up to now is 140.7 secs Computing kpt #: 94 total cpu time spent up to now is 141.9 secs Computing kpt #: 95 total cpu time spent up to now is 143.1 secs Computing kpt #: 96 total cpu time spent up to now is 144.2 secs Computing kpt #: 97 total cpu time spent up to now is 145.4 secs Computing kpt #: 98 total cpu time spent up to now is 146.5 secs Computing kpt #: 99 total cpu time spent up to now is 147.7 secs Computing kpt #: 100 total cpu time spent up to now is 148.9 secs Computing kpt #: 101 total cpu time spent up to now is 150.1 secs Computing kpt #: 102 total cpu time spent up to now is 151.2 secs Computing kpt #: 103 total cpu time spent up to now is 152.3 secs Computing kpt #: 104 total cpu time spent up to now is 153.5 secs Computing kpt #: 105 total cpu time spent up to now is 154.8 secs Computing kpt #: 106 total cpu time spent up to now is 155.9 secs Computing kpt #: 107 total cpu time spent up to now is 157.1 secs Computing kpt #: 108 total cpu time spent up to now is 158.3 secs Computing kpt #: 109 total cpu time spent up to now is 159.5 secs Computing kpt #: 110 total cpu time spent up to now is 160.7 secs Computing kpt #: 111 total cpu time spent up to now is 161.9 secs Computing kpt #: 112 total cpu time spent up to now is 163.1 secs Computing kpt #: 113 total cpu time spent up to now is 164.2 secs Computing kpt #: 114 total cpu time spent up to now is 165.4 secs Computing kpt #: 115 total cpu time spent up to now is 166.6 secs Computing kpt #: 116 total cpu time spent up to now is 167.7 secs Computing kpt #: 117 total cpu time spent up to now is 169.0 secs Computing kpt #: 118 total cpu time spent up to now is 170.0 secs Computing kpt #: 119 total cpu time spent up to now is 171.1 secs Computing kpt #: 120 total cpu time spent up to now is 172.3 secs Computing kpt #: 121 total cpu time spent up to now is 173.5 secs Computing kpt #: 122 total cpu time spent up to now is 174.7 secs Computing kpt #: 123 total cpu time spent up to now is 175.8 secs Computing kpt #: 124 total cpu time spent up to now is 176.9 secs Computing kpt #: 125 total cpu time spent up to now is 177.9 secs Computing kpt #: 126 total cpu time spent up to now is 179.0 secs Computing kpt #: 127 total cpu time spent up to now is 180.0 secs Computing kpt #: 128 total cpu time spent up to now is 181.0 secs Computing kpt #: 129 total cpu time spent up to now is 181.9 secs Computing kpt #: 130 total cpu time spent up to now is 182.9 secs Computing kpt #: 131 total cpu time spent up to now is 184.1 secs Computing kpt #: 132 total cpu time spent up to now is 185.2 secs Computing kpt #: 133 total cpu time spent up to now is 186.2 secs Computing kpt #: 134 total cpu time spent up to now is 187.1 secs Computing kpt #: 135 total cpu time spent up to now is 188.1 secs Computing kpt #: 136 total cpu time spent up to now is 189.0 secs Computing kpt #: 137 total cpu time spent up to now is 190.0 secs Computing kpt #: 138 total cpu time spent up to now is 190.9 secs Computing kpt #: 139 total cpu time spent up to now is 191.9 secs Computing kpt #: 140 total cpu time spent up to now is 192.8 secs Computing kpt #: 141 total cpu time spent up to now is 193.7 secs Computing kpt #: 142 total cpu time spent up to now is 194.6 secs Computing kpt #: 143 total cpu time spent up to now is 195.5 secs Computing kpt #: 144 total cpu time spent up to now is 196.5 secs Computing kpt #: 145 total cpu time spent up to now is 197.5 secs Computing kpt #: 146 total cpu time spent up to now is 198.4 secs Computing kpt #: 147 total cpu time spent up to now is 199.3 secs Computing kpt #: 148 total cpu time spent up to now is 200.2 secs Computing kpt #: 149 total cpu time spent up to now is 201.1 secs Computing kpt #: 150 total cpu time spent up to now is 202.0 secs Computing kpt #: 151 total cpu time spent up to now is 203.0 secs Computing kpt #: 152 total cpu time spent up to now is 203.8 secs Computing kpt #: 153 total cpu time spent up to now is 204.7 secs Computing kpt #: 154 total cpu time spent up to now is 205.6 secs Computing kpt #: 155 total cpu time spent up to now is 206.5 secs Computing kpt #: 156 total cpu time spent up to now is 207.4 secs Computing kpt #: 157 total cpu time spent up to now is 208.3 secs Computing kpt #: 158 total cpu time spent up to now is 209.2 secs Computing kpt #: 159 total cpu time spent up to now is 210.1 secs Computing kpt #: 160 total cpu time spent up to now is 211.0 secs Computing kpt #: 161 total cpu time spent up to now is 211.9 secs Computing kpt #: 162 total cpu time spent up to now is 212.8 secs Computing kpt #: 163 total cpu time spent up to now is 213.7 secs Computing kpt #: 164 total cpu time spent up to now is 214.8 secs Computing kpt #: 165 total cpu time spent up to now is 215.8 secs Computing kpt #: 166 total cpu time spent up to now is 216.8 secs Computing kpt #: 167 total cpu time spent up to now is 217.8 secs Computing kpt #: 168 total cpu time spent up to now is 218.7 secs Computing kpt #: 169 total cpu time spent up to now is 219.7 secs Computing kpt #: 170 total cpu time spent up to now is 220.7 secs Computing kpt #: 171 total cpu time spent up to now is 221.8 secs Computing kpt #: 172 total cpu time spent up to now is 222.8 secs Computing kpt #: 173 total cpu time spent up to now is 223.8 secs Computing kpt #: 174 total cpu time spent up to now is 224.8 secs Computing kpt #: 175 total cpu time spent up to now is 225.8 secs Computing kpt #: 176 total cpu time spent up to now is 226.8 secs Computing kpt #: 177 total cpu time spent up to now is 227.8 secs Computing kpt #: 178 total cpu time spent up to now is 228.8 secs Computing kpt #: 179 total cpu time spent up to now is 229.7 secs Computing kpt #: 180 total cpu time spent up to now is 230.7 secs Computing kpt #: 181 total cpu time spent up to now is 231.6 secs Computing kpt #: 182 total cpu time spent up to now is 232.6 secs Computing kpt #: 183 total cpu time spent up to now is 233.5 secs Computing kpt #: 184 total cpu time spent up to now is 234.5 secs Computing kpt #: 185 total cpu time spent up to now is 235.4 secs Computing kpt #: 186 total cpu time spent up to now is 236.3 secs Computing kpt #: 187 total cpu time spent up to now is 237.2 secs Computing kpt #: 188 total cpu time spent up to now is 238.2 secs Computing kpt #: 189 total cpu time spent up to now is 239.2 secs Computing kpt #: 190 total cpu time spent up to now is 240.1 secs Computing kpt #: 191 total cpu time spent up to now is 240.9 secs Computing kpt #: 192 total cpu time spent up to now is 241.8 secs Computing kpt #: 193 total cpu time spent up to now is 242.7 secs Computing kpt #: 194 total cpu time spent up to now is 243.7 secs Computing kpt #: 195 total cpu time spent up to now is 244.6 secs Computing kpt #: 196 total cpu time spent up to now is 245.5 secs Computing kpt #: 197 total cpu time spent up to now is 246.5 secs Computing kpt #: 198 total cpu time spent up to now is 247.4 secs Computing kpt #: 199 total cpu time spent up to now is 248.3 secs Computing kpt #: 200 total cpu time spent up to now is 249.2 secs Computing kpt #: 201 total cpu time spent up to now is 250.2 secs Computing kpt #: 202 total cpu time spent up to now is 251.2 secs Computing kpt #: 203 total cpu time spent up to now is 252.3 secs Computing kpt #: 204 total cpu time spent up to now is 253.4 secs Computing kpt #: 205 total cpu time spent up to now is 254.6 secs Computing kpt #: 206 total cpu time spent up to now is 255.8 secs Computing kpt #: 207 total cpu time spent up to now is 257.0 secs Computing kpt #: 208 total cpu time spent up to now is 258.2 secs Computing kpt #: 209 total cpu time spent up to now is 259.4 secs Computing kpt #: 210 total cpu time spent up to now is 260.6 secs Computing kpt #: 211 total cpu time spent up to now is 261.8 secs Computing kpt #: 212 total cpu time spent up to now is 263.4 secs Computing kpt #: 213 total cpu time spent up to now is 264.7 secs Computing kpt #: 214 total cpu time spent up to now is 266.0 secs Computing kpt #: 215 total cpu time spent up to now is 267.2 secs Computing kpt #: 216 total cpu time spent up to now is 268.4 secs Computing kpt #: 217 total cpu time spent up to now is 269.6 secs Computing kpt #: 218 total cpu time spent up to now is 270.8 secs Computing kpt #: 219 total cpu time spent up to now is 272.0 secs Computing kpt #: 220 total cpu time spent up to now is 273.2 secs Computing kpt #: 221 total cpu time spent up to now is 274.4 secs Computing kpt #: 222 total cpu time spent up to now is 275.6 secs Computing kpt #: 223 total cpu time spent up to now is 276.7 secs Computing kpt #: 224 total cpu time spent up to now is 277.8 secs Computing kpt #: 225 total cpu time spent up to now is 278.8 secs Computing kpt #: 226 total cpu time spent up to now is 280.4 secs Computing kpt #: 227 total cpu time spent up to now is 281.5 secs Computing kpt #: 228 total cpu time spent up to now is 282.6 secs Computing kpt #: 229 total cpu time spent up to now is 283.7 secs Computing kpt #: 230 total cpu time spent up to now is 284.7 secs Computing kpt #: 231 total cpu time spent up to now is 285.8 secs Computing kpt #: 232 total cpu time spent up to now is 287.0 secs Computing kpt #: 233 total cpu time spent up to now is 288.1 secs Computing kpt #: 234 total cpu time spent up to now is 289.2 secs Computing kpt #: 235 total cpu time spent up to now is 290.2 secs Computing kpt #: 236 total cpu time spent up to now is 291.3 secs Computing kpt #: 237 total cpu time spent up to now is 292.4 secs Computing kpt #: 238 total cpu time spent up to now is 294.3 secs Computing kpt #: 239 total cpu time spent up to now is 296.0 secs Computing kpt #: 240 total cpu time spent up to now is 297.6 secs Computing kpt #: 241 total cpu time spent up to now is 299.3 secs Computing kpt #: 242 total cpu time spent up to now is 300.7 secs Computing kpt #: 243 total cpu time spent up to now is 301.9 secs Computing kpt #: 244 total cpu time spent up to now is 303.1 secs Computing kpt #: 245 total cpu time spent up to now is 304.3 secs Computing kpt #: 246 total cpu time spent up to now is 305.5 secs Computing kpt #: 247 total cpu time spent up to now is 306.7 secs Computing kpt #: 248 total cpu time spent up to now is 307.9 secs Computing kpt #: 249 total cpu time spent up to now is 309.1 secs Computing kpt #: 250 total cpu time spent up to now is 310.3 secs Computing kpt #: 251 total cpu time spent up to now is 311.6 secs Computing kpt #: 252 total cpu time spent up to now is 312.8 secs Computing kpt #: 253 total cpu time spent up to now is 314.0 secs Computing kpt #: 254 total cpu time spent up to now is 315.2 secs Computing kpt #: 255 total cpu time spent up to now is 316.4 secs Computing kpt #: 256 total cpu time spent up to now is 317.7 secs Computing kpt #: 257 total cpu time spent up to now is 318.9 secs Computing kpt #: 258 total cpu time spent up to now is 320.1 secs Computing kpt #: 259 total cpu time spent up to now is 321.3 secs Computing kpt #: 260 total cpu time spent up to now is 322.6 secs Computing kpt #: 261 total cpu time spent up to now is 323.8 secs Computing kpt #: 262 total cpu time spent up to now is 325.1 secs Computing kpt #: 263 total cpu time spent up to now is 326.3 secs Computing kpt #: 264 total cpu time spent up to now is 327.5 secs Computing kpt #: 265 total cpu time spent up to now is 328.8 secs Computing kpt #: 266 total cpu time spent up to now is 330.2 secs Computing kpt #: 267 total cpu time spent up to now is 331.4 secs Computing kpt #: 268 total cpu time spent up to now is 332.5 secs Computing kpt #: 269 total cpu time spent up to now is 333.8 secs Computing kpt #: 270 total cpu time spent up to now is 335.0 secs Computing kpt #: 271 total cpu time spent up to now is 336.2 secs Computing kpt #: 272 total cpu time spent up to now is 337.4 secs Computing kpt #: 273 total cpu time spent up to now is 338.5 secs Computing kpt #: 274 total cpu time spent up to now is 339.7 secs Computing kpt #: 275 total cpu time spent up to now is 340.8 secs Computing kpt #: 276 total cpu time spent up to now is 341.8 secs Computing kpt #: 277 total cpu time spent up to now is 342.9 secs Computing kpt #: 278 total cpu time spent up to now is 344.0 secs Computing kpt #: 279 total cpu time spent up to now is 345.1 secs Computing kpt #: 280 total cpu time spent up to now is 346.2 secs Computing kpt #: 281 total cpu time spent up to now is 347.3 secs Computing kpt #: 282 total cpu time spent up to now is 348.4 secs Computing kpt #: 283 total cpu time spent up to now is 349.5 secs Computing kpt #: 284 total cpu time spent up to now is 350.6 secs Computing kpt #: 285 total cpu time spent up to now is 351.9 secs Computing kpt #: 286 total cpu time spent up to now is 353.1 secs Computing kpt #: 287 total cpu time spent up to now is 354.2 secs Computing kpt #: 288 total cpu time spent up to now is 355.4 secs Computing kpt #: 289 total cpu time spent up to now is 356.6 secs Computing kpt #: 290 total cpu time spent up to now is 357.7 secs Computing kpt #: 291 total cpu time spent up to now is 358.9 secs Computing kpt #: 292 total cpu time spent up to now is 360.0 secs Computing kpt #: 293 total cpu time spent up to now is 361.0 secs Computing kpt #: 294 total cpu time spent up to now is 362.0 secs Computing kpt #: 295 total cpu time spent up to now is 363.2 secs Computing kpt #: 296 total cpu time spent up to now is 364.3 secs Computing kpt #: 297 total cpu time spent up to now is 365.4 secs Computing kpt #: 298 total cpu time spent up to now is 366.5 secs Computing kpt #: 299 total cpu time spent up to now is 367.6 secs Computing kpt #: 300 total cpu time spent up to now is 368.6 secs Computing kpt #: 301 total cpu time spent up to now is 369.6 secs Computing kpt #: 302 total cpu time spent up to now is 370.6 secs Computing kpt #: 303 total cpu time spent up to now is 371.6 secs Computing kpt #: 304 total cpu time spent up to now is 372.5 secs Computing kpt #: 305 total cpu time spent up to now is 373.4 secs Computing kpt #: 306 total cpu time spent up to now is 374.3 secs Computing kpt #: 307 total cpu time spent up to now is 375.3 secs Computing kpt #: 308 total cpu time spent up to now is 376.3 secs Computing kpt #: 309 total cpu time spent up to now is 377.3 secs Computing kpt #: 310 total cpu time spent up to now is 378.2 secs Computing kpt #: 311 total cpu time spent up to now is 379.2 secs Computing kpt #: 312 total cpu time spent up to now is 380.1 secs Computing kpt #: 313 total cpu time spent up to now is 381.0 secs Computing kpt #: 314 total cpu time spent up to now is 382.0 secs Computing kpt #: 315 total cpu time spent up to now is 382.9 secs Computing kpt #: 316 total cpu time spent up to now is 383.9 secs Computing kpt #: 317 total cpu time spent up to now is 384.8 secs Computing kpt #: 318 total cpu time spent up to now is 385.8 secs Computing kpt #: 319 total cpu time spent up to now is 386.7 secs Computing kpt #: 320 total cpu time spent up to now is 387.7 secs Computing kpt #: 321 total cpu time spent up to now is 388.7 secs Computing kpt #: 322 total cpu time spent up to now is 389.7 secs Computing kpt #: 323 total cpu time spent up to now is 390.7 secs Computing kpt #: 324 total cpu time spent up to now is 391.7 secs Computing kpt #: 325 total cpu time spent up to now is 392.7 secs Computing kpt #: 326 total cpu time spent up to now is 393.7 secs Computing kpt #: 327 total cpu time spent up to now is 394.7 secs Computing kpt #: 328 total cpu time spent up to now is 395.7 secs Computing kpt #: 329 total cpu time spent up to now is 396.8 secs Computing kpt #: 330 total cpu time spent up to now is 397.9 secs Computing kpt #: 331 total cpu time spent up to now is 399.0 secs Computing kpt #: 332 total cpu time spent up to now is 400.1 secs Computing kpt #: 333 total cpu time spent up to now is 401.1 secs Computing kpt #: 334 total cpu time spent up to now is 402.1 secs Computing kpt #: 335 total cpu time spent up to now is 403.1 secs Computing kpt #: 336 total cpu time spent up to now is 404.1 secs Computing kpt #: 337 total cpu time spent up to now is 405.1 secs Computing kpt #: 338 total cpu time spent up to now is 406.1 secs Computing kpt #: 339 total cpu time spent up to now is 407.1 secs Computing kpt #: 340 total cpu time spent up to now is 408.0 secs Computing kpt #: 341 total cpu time spent up to now is 409.0 secs Computing kpt #: 342 total cpu time spent up to now is 410.0 secs Computing kpt #: 343 total cpu time spent up to now is 410.9 secs Computing kpt #: 344 total cpu time spent up to now is 411.9 secs Computing kpt #: 345 total cpu time spent up to now is 412.9 secs Computing kpt #: 346 total cpu time spent up to now is 413.9 secs Computing kpt #: 347 total cpu time spent up to now is 414.9 secs Computing kpt #: 348 total cpu time spent up to now is 415.8 secs Computing kpt #: 349 total cpu time spent up to now is 416.9 secs Computing kpt #: 350 total cpu time spent up to now is 418.1 secs Computing kpt #: 351 total cpu time spent up to now is 419.3 secs Computing kpt #: 352 total cpu time spent up to now is 420.4 secs Computing kpt #: 353 total cpu time spent up to now is 421.5 secs Computing kpt #: 354 total cpu time spent up to now is 422.6 secs Computing kpt #: 355 total cpu time spent up to now is 423.8 secs Computing kpt #: 356 total cpu time spent up to now is 424.9 secs Computing kpt #: 357 total cpu time spent up to now is 426.1 secs Computing kpt #: 358 total cpu time spent up to now is 427.2 secs Computing kpt #: 359 total cpu time spent up to now is 428.3 secs Computing kpt #: 360 total cpu time spent up to now is 429.5 secs Computing kpt #: 361 total cpu time spent up to now is 430.8 secs Computing kpt #: 362 total cpu time spent up to now is 432.0 secs Computing kpt #: 363 total cpu time spent up to now is 433.2 secs Computing kpt #: 364 total cpu time spent up to now is 434.5 secs Computing kpt #: 365 total cpu time spent up to now is 435.7 secs Computing kpt #: 366 total cpu time spent up to now is 437.0 secs Computing kpt #: 367 total cpu time spent up to now is 438.3 secs Computing kpt #: 368 total cpu time spent up to now is 439.5 secs Computing kpt #: 369 total cpu time spent up to now is 440.7 secs ethr = 2.63E-11, avg # of iterations = 20.4 total cpu time spent up to now is 441.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2957 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9518 -3.9518 -3.9501 -3.9501 -3.4904 -3.4904 -3.1311 -3.1311 -3.0628 -3.0628 -2.9860 -2.9860 -1.9945 -1.9945 2.9707 2.9707 6.5159 6.5159 7.8106 7.8106 7.8292 7.8292 7.8961 7.8961 8.8961 8.8961 8.9645 8.9645 12.2840 12.2840 13.5558 13.5558 13.6200 13.6200 13.9209 13.9209 13.9353 13.9353 k = 0.0091 0.0052-0.0000 ( 2957 PWs) bands (ev): -43.7928 -43.7928 -21.3296 -21.3296 -19.3119 -19.3119 -19.1340 -19.1340 -3.9518 -3.9518 -3.9500 -3.9500 -3.4895 -3.4895 -3.1310 -3.1310 -3.0627 -3.0627 -2.9861 -2.9861 -1.9941 -1.9941 2.9721 2.9721 6.5171 6.5171 7.8091 7.8091 7.8284 7.8284 7.8941 7.8941 8.8957 8.8957 8.9640 8.9640 12.2803 12.2803 13.5554 13.5554 13.6197 13.6197 13.9205 13.9205 13.9353 13.9353 k = 0.0182 0.0105-0.0000 ( 2953 PWs) bands (ev): -43.7926 -43.7926 -21.3299 -21.3299 -19.3120 -19.3120 -19.1347 -19.1347 -3.9517 -3.9517 -3.9496 -3.9496 -3.4866 -3.4866 -3.1307 -3.1307 -3.0624 -3.0624 -2.9864 -2.9864 -1.9929 -1.9929 2.9764 2.9764 6.5207 6.5207 7.8036 7.8036 7.8271 7.8271 7.8883 7.8883 8.8943 8.8943 8.9630 8.9630 12.2689 12.2689 13.5526 13.5526 13.6205 13.6205 13.9187 13.9187 13.9358 13.9358 k = 0.0273 0.0157-0.0000 ( 2948 PWs) bands (ev): -43.7924 -43.7924 -21.3303 -21.3303 -19.3122 -19.3122 -19.1358 -19.1358 -3.9515 -3.9515 -3.9489 -3.9489 -3.4818 -3.4818 -3.1302 -3.1302 -3.0620 -3.0620 -2.9868 -2.9868 -1.9910 -1.9910 2.9835 2.9835 6.5266 6.5266 7.7921 7.7921 7.8259 7.8259 7.8803 7.8803 8.8906 8.8906 8.9625 8.9625 12.2502 12.2502 13.5442 13.5442 13.6258 13.6258 13.9143 13.9143 13.9382 13.9382 k = 0.0364 0.0210-0.0000 ( 2940 PWs) bands (ev): -43.7921 -43.7921 -21.3309 -21.3309 -19.3124 -19.3124 -19.1374 -19.1374 -3.9512 -3.9512 -3.9480 -3.9480 -3.4752 -3.4752 -3.1296 -3.1296 -3.0613 -3.0613 -2.9874 -2.9874 -1.9883 -1.9883 2.9934 2.9934 6.5348 6.5348 7.7747 7.7747 7.8218 7.8218 7.8734 7.8734 8.8834 8.8834 8.9636 8.9636 12.2242 12.2242 13.5285 13.5285 13.6381 13.6381 13.9070 13.9070 13.9425 13.9425 k = 0.0455 0.0262-0.0000 ( 2934 PWs) bands (ev): -43.7918 -43.7918 -21.3316 -21.3316 -19.3127 -19.3127 -19.1394 -19.1394 -3.9508 -3.9508 -3.9470 -3.9470 -3.4667 -3.4667 -3.1288 -3.1288 -3.0603 -3.0603 -2.9882 -2.9882 -1.9849 -1.9849 3.0061 3.0061 6.5454 6.5454 7.7517 7.7517 7.8102 7.8102 7.8722 7.8722 8.8717 8.8717 8.9670 8.9670 12.1914 12.1914 13.5063 13.5063 13.6571 13.6571 13.8973 13.8973 13.9485 13.9485 k = 0.0545 0.0315-0.0000 ( 2936 PWs) bands (ev): -43.7915 -43.7915 -21.3325 -21.3325 -19.3132 -19.3132 -19.1419 -19.1419 -3.9504 -3.9504 -3.9458 -3.9458 -3.4563 -3.4563 -3.1278 -3.1278 -3.0593 -3.0593 -2.9892 -2.9892 -1.9808 -1.9808 3.0217 3.0217 6.5582 6.5582 7.7237 7.7237 7.7903 7.7903 7.8777 7.8777 8.8555 8.8555 8.9726 8.9726 12.1521 12.1521 13.4794 13.4794 13.6818 13.6818 13.8856 13.8856 13.9557 13.9557 k = 0.0636 0.0367-0.0000 ( 2938 PWs) bands (ev): -43.7911 -43.7911 -21.3336 -21.3336 -19.3137 -19.3137 -19.1447 -19.1447 -3.9500 -3.9500 -3.9445 -3.9445 -3.4442 -3.4442 -3.1268 -3.1268 -3.0579 -3.0579 -2.9904 -2.9904 -1.9759 -1.9759 3.0400 3.0400 6.5731 6.5731 7.6910 7.6910 7.7644 7.7644 7.8877 7.8877 8.8351 8.8351 8.9797 8.9797 12.1066 12.1066 13.4494 13.4494 13.7112 13.7112 13.8721 13.8721 13.9641 13.9641 k = 0.0727 0.0420-0.0000 ( 2938 PWs) bands (ev): -43.7907 -43.7907 -21.3349 -21.3349 -19.3142 -19.3142 -19.1479 -19.1479 -3.9494 -3.9494 -3.9430 -3.9430 -3.4303 -3.4303 -3.1256 -3.1256 -3.0562 -3.0562 -2.9916 -2.9916 -1.9703 -1.9703 3.0611 3.0611 6.5901 6.5901 7.6539 7.6539 7.7343 7.7343 7.9009 7.9009 8.8110 8.8110 8.9877 8.9877 12.0554 12.0554 13.4174 13.4174 13.7444 13.7444 13.8575 13.8575 13.9732 13.9732 k = 0.0818 0.0472-0.0000 ( 2946 PWs) bands (ev): -43.7903 -43.7903 -21.3363 -21.3363 -19.3149 -19.3149 -19.1515 -19.1515 -3.9489 -3.9489 -3.9415 -3.9415 -3.4148 -3.4148 -3.1244 -3.1244 -3.0541 -3.0541 -2.9931 -2.9931 -1.9641 -1.9641 3.0849 3.0849 6.6091 6.6091 7.6128 7.6128 7.7010 7.7010 7.9166 7.9166 8.7838 8.7838 8.9959 8.9959 11.9990 11.9990 13.3846 13.3846 13.7788 13.7788 13.8442 13.8442 13.9831 13.9831 k = 0.0909 0.0525-0.0000 ( 2946 PWs) bands (ev): -43.7897 -43.7897 -21.3379 -21.3379 -19.3157 -19.3157 -19.1555 -19.1555 -3.9483 -3.9483 -3.9398 -3.9398 -3.3976 -3.3976 -3.1229 -3.1229 -3.0516 -3.0516 -2.9946 -2.9946 -1.9571 -1.9571 3.1115 3.1115 6.6299 6.6299 7.5682 7.5682 7.6651 7.6651 7.9345 7.9345 8.7537 8.7537 9.0038 9.0038 11.9378 11.9378 13.3521 13.3521 13.8001 13.8001 13.8462 13.8462 13.9935 13.9935 k = 0.1000 0.0577-0.0000 ( 2954 PWs) bands (ev): -43.7892 -43.7892 -21.3396 -21.3396 -19.3166 -19.3166 -19.1597 -19.1597 -3.9477 -3.9477 -3.9380 -3.9380 -3.3790 -3.3790 -3.1214 -3.1214 -3.0486 -3.0486 -2.9962 -2.9962 -1.9496 -1.9496 3.1407 3.1407 6.6523 6.6523 7.5206 7.5206 7.6270 7.6270 7.9543 7.9543 8.7211 8.7211 9.0109 9.0109 11.8724 11.8724 13.3204 13.3204 13.7909 13.7909 13.8807 13.8807 14.0045 14.0045 k = 0.1091 0.0630-0.0000 ( 2958 PWs) bands (ev): -43.7886 -43.7886 -21.3414 -21.3414 -19.3176 -19.3176 -19.1643 -19.1643 -3.9470 -3.9470 -3.9362 -3.9362 -3.3591 -3.3591 -3.1199 -3.1199 -3.0450 -3.0450 -2.9978 -2.9978 -1.9415 -1.9415 3.1725 3.1725 6.6760 6.6760 7.4706 7.4706 7.5870 7.5870 7.9758 7.9758 8.6863 8.6863 9.0170 9.0170 11.8032 11.8032 13.2905 13.2905 13.7726 13.7726 13.9258 13.9258 14.0162 14.0162 k = 0.1182 0.0682-0.0000 ( 2956 PWs) bands (ev): -43.7879 -43.7879 -21.3435 -21.3435 -19.3188 -19.3188 -19.1690 -19.1690 -3.9463 -3.9463 -3.9343 -3.9343 -3.3380 -3.3380 -3.1182 -3.1182 -3.0405 -3.0405 -2.9994 -2.9994 -1.9327 -1.9327 3.2070 3.2070 6.7007 6.7007 7.4190 7.4190 7.5453 7.5453 7.9991 7.9991 8.6496 8.6496 9.0217 9.0217 11.7307 11.7307 13.2629 13.2629 13.7521 13.7521 13.9732 13.9732 14.0298 14.0298 k = 0.1273 0.0735-0.0000 ( 2966 PWs) bands (ev): -43.7872 -43.7872 -21.3456 -21.3456 -19.3201 -19.3201 -19.1740 -19.1740 -3.9457 -3.9457 -3.9324 -3.9324 -3.3161 -3.3161 -3.1165 -3.1165 -3.0353 -3.0353 -3.0009 -3.0009 -1.9235 -1.9235 3.2440 3.2440 6.7257 6.7257 7.3664 7.3664 7.5021 7.5021 8.0239 8.0239 8.6112 8.6112 9.0249 9.0249 11.6555 11.6555 13.2380 13.2380 13.7306 13.7306 14.0146 14.0146 14.0522 14.0522 k = 0.1364 0.0787-0.0000 ( 2962 PWs) bands (ev): -43.7864 -43.7864 -21.3479 -21.3479 -19.3215 -19.3215 -19.1792 -19.1792 -3.9450 -3.9450 -3.9304 -3.9304 -3.2935 -3.2935 -3.1147 -3.1147 -3.0290 -3.0290 -3.0020 -3.0020 -1.9137 -1.9137 3.2835 3.2835 6.7503 6.7503 7.3142 7.3142 7.4577 7.4577 8.0501 8.0501 8.5714 8.5714 9.0264 9.0264 11.5781 11.5781 13.2163 13.2163 13.7087 13.7087 14.0368 14.0368 14.0958 14.0958 k = 0.1455 0.0840-0.0000 ( 2964 PWs) bands (ev): -43.7856 -43.7856 -21.3503 -21.3503 -19.3231 -19.3231 -19.1845 -19.1845 -3.9444 -3.9444 -3.9284 -3.9284 -3.2707 -3.2707 -3.1130 -3.1130 -3.0218 -3.0218 -3.0026 -3.0026 -1.9034 -1.9034 3.3254 3.3254 6.7730 6.7730 7.2638 7.2638 7.4121 7.4121 8.0777 8.0777 8.5305 8.5305 9.0262 9.0262 11.4989 11.4989 13.1981 13.1981 13.6867 13.6867 14.0500 14.0500 14.1499 14.1499 k = 0.1545 0.0892-0.0000 ( 2964 PWs) bands (ev): -43.7847 -43.7847 -21.3529 -21.3529 -19.3249 -19.3249 -19.1898 -19.1898 -3.9437 -3.9437 -3.9264 -3.9264 -3.2481 -3.2481 -3.1111 -3.1111 -3.0149 -3.0149 -3.0008 -3.0008 -1.8926 -1.8926 3.3698 3.3698 6.7918 6.7918 7.2177 7.2177 7.3654 7.3654 8.1066 8.1066 8.4886 8.4886 9.0242 9.0242 11.4185 11.4185 13.1836 13.1836 13.6648 13.6648 14.0610 14.0610 14.2073 14.2073 k = 0.1636 0.0945-0.0000 ( 2966 PWs) bands (ev): -43.7839 -43.7839 -21.3555 -21.3555 -19.3270 -19.3270 -19.1952 -19.1952 -3.9432 -3.9432 -3.9245 -3.9245 -3.2263 -3.2263 -3.1092 -3.1092 -3.0116 -3.0116 -2.9930 -2.9930 -1.8815 -1.8815 3.4163 3.4163 6.8032 6.8032 7.1794 7.1794 7.3179 7.3179 8.1365 8.1365 8.4460 8.4460 9.0204 9.0204 11.3374 11.3374 13.1728 13.1728 13.6433 13.6433 14.0711 14.0711 14.2662 14.2662 k = 0.1727 0.0997-0.0000 ( 2970 PWs) bands (ev): -43.7830 -43.7830 -21.3583 -21.3583 -19.3292 -19.3292 -19.2006 -19.2006 -3.9427 -3.9427 -3.9226 -3.9226 -3.2059 -3.2059 -3.1074 -3.1074 -3.0111 -3.0111 -2.9794 -2.9794 -1.8699 -1.8699 3.4651 3.4651 6.8032 6.8032 7.1533 7.1533 7.2695 7.2695 8.1675 8.1675 8.4028 8.4028 9.0149 9.0149 11.2560 11.2560 13.1658 13.1658 13.6224 13.6224 14.0804 14.0804 14.3262 14.3262 k = 0.1818 0.1050-0.0000 ( 2970 PWs) bands (ev): -43.7820 -43.7820 -21.3612 -21.3612 -19.3317 -19.3317 -19.2059 -19.2059 -3.9422 -3.9422 -3.9206 -3.9206 -3.1874 -3.1874 -3.1054 -3.1054 -3.0113 -3.0113 -2.9617 -2.9617 -1.8580 -1.8580 3.5160 3.5160 6.7882 6.7882 7.1430 7.1430 7.2205 7.2205 8.1992 8.1992 8.3594 8.3594 9.0078 9.0078 11.1750 11.1750 13.1624 13.1624 13.6023 13.6023 14.0891 14.0891 14.3866 14.3866 k = 0.1909 0.1102-0.0000 ( 2978 PWs) bands (ev): -43.7811 -43.7811 -21.3642 -21.3642 -19.3345 -19.3345 -19.2111 -19.2111 -3.9418 -3.9418 -3.9189 -3.9189 -3.1713 -3.1713 -3.1035 -3.1035 -3.0115 -3.0115 -2.9402 -2.9402 -1.8458 -1.8458 3.5689 3.5689 6.7584 6.7584 7.1482 7.1482 7.1710 7.1710 8.2314 8.2314 8.3161 8.3161 8.9992 8.9992 11.0948 11.0948 13.1627 13.1627 13.5832 13.5832 14.0970 14.0970 14.4473 14.4473 k = 0.2000 0.1155-0.0000 ( 2974 PWs) bands (ev): -43.7801 -43.7801 -21.3672 -21.3672 -19.3376 -19.3376 -19.2162 -19.2162 -3.9414 -3.9414 -3.9170 -3.9170 -3.1576 -3.1576 -3.1015 -3.1015 -3.0113 -3.0113 -2.9151 -2.9151 -1.8333 -1.8333 3.6236 3.6236 6.7172 6.7172 7.1204 7.1204 7.1663 7.1663 8.2586 8.2586 8.2785 8.2785 8.9894 8.9894 11.0159 11.0159 13.1664 13.1664 13.5654 13.5654 14.1041 14.1041 14.5078 14.5078 k = 0.2091 0.1207-0.0000 ( 2970 PWs) bands (ev): -43.7790 -43.7790 -21.3704 -21.3704 -19.3409 -19.3409 -19.2210 -19.2210 -3.9411 -3.9411 -3.9153 -3.9153 -3.1462 -3.1462 -3.0995 -3.0995 -3.0108 -3.0108 -2.8867 -2.8867 -1.8206 -1.8206 3.6801 3.6801 6.6687 6.6687 7.0699 7.0699 7.1923 7.1923 8.2262 8.2262 8.3010 8.3010 8.9784 8.9784 10.9389 10.9389 13.1732 13.1732 13.5489 13.5489 14.1103 14.1103 14.5680 14.5680 k = 0.2182 0.1260-0.0000 ( 2966 PWs) bands (ev): -43.7779 -43.7779 -21.3736 -21.3736 -19.3446 -19.3446 -19.2256 -19.2256 -3.9408 -3.9408 -3.9136 -3.9136 -3.1371 -3.1371 -3.0977 -3.0977 -3.0097 -3.0097 -2.8553 -2.8553 -1.8077 -1.8077 3.7382 3.7382 6.6159 6.6159 7.0190 7.0190 7.2238 7.2238 8.1834 8.1834 8.3347 8.3347 8.9665 8.9665 10.8642 10.8642 13.1828 13.1828 13.5339 13.5339 14.1152 14.1152 14.6275 14.6275 k = 0.2273 0.1312-0.0000 ( 2968 PWs) bands (ev): -43.7769 -43.7769 -21.3769 -21.3769 -19.3486 -19.3486 -19.2300 -19.2300 -3.9406 -3.9406 -3.9120 -3.9120 -3.1298 -3.1298 -3.0960 -3.0960 -3.0082 -3.0082 -2.8214 -2.8214 -1.7946 -1.7946 3.7976 3.7976 6.5609 6.5609 6.9678 6.9678 7.2586 7.2586 8.1405 8.1405 8.3690 8.3690 8.9540 8.9540 10.7924 10.7924 13.1948 13.1948 13.5205 13.5205 14.1186 14.1186 14.6862 14.6862 k = 0.2364 0.1365-0.0000 ( 2968 PWs) bands (ev): -43.7758 -43.7758 -21.3802 -21.3802 -19.3529 -19.3529 -19.2340 -19.2340 -3.9405 -3.9405 -3.9105 -3.9105 -3.1239 -3.1239 -3.0945 -3.0945 -3.0062 -3.0062 -2.7854 -2.7854 -1.7814 -1.7814 3.8582 3.8582 6.5051 6.5051 6.9165 6.9165 7.2953 7.2953 8.0980 8.0980 8.4035 8.4035 8.9409 8.9409 10.7240 10.7240 13.2089 13.2089 13.5090 13.5090 14.1199 14.1199 14.7438 14.7438 k = 0.2455 0.1417-0.0000 ( 2982 PWs) bands (ev): -43.7749 -43.7749 -21.3836 -21.3836 -19.3576 -19.3576 -19.2377 -19.2377 -3.9406 -3.9406 -3.9092 -3.9092 -3.1194 -3.1194 -3.0932 -3.0932 -3.0039 -3.0039 -2.7477 -2.7477 -1.7681 -1.7681 3.9198 3.9198 6.4492 6.4492 6.8653 6.8653 7.3331 7.3331 8.0561 8.0561 8.4379 8.4379 8.9276 8.9276 10.6594 10.6594 13.2246 13.2246 13.4994 13.4994 14.1179 14.1179 14.8000 14.8000 k = 0.2545 0.1470-0.0000 ( 2986 PWs) bands (ev): -43.7739 -43.7739 -21.3870 -21.3870 -19.3624 -19.3624 -19.2411 -19.2411 -3.9406 -3.9406 -3.9080 -3.9080 -3.1158 -3.1158 -3.0921 -3.0921 -3.0009 -3.0009 -2.7087 -2.7087 -1.7547 -1.7547 3.9821 3.9821 6.3941 6.3941 6.8141 6.8141 7.3714 7.3714 8.0150 8.0150 8.4722 8.4722 8.9142 8.9142 10.5992 10.5992 13.2415 13.2415 13.4919 13.4919 14.1108 14.1108 14.8546 14.8546 k = 0.2636 0.1522-0.0000 ( 2982 PWs) bands (ev): -43.7728 -43.7728 -21.3904 -21.3904 -19.3676 -19.3676 -19.2443 -19.2443 -3.9406 -3.9406 -3.9067 -3.9067 -3.1129 -3.1129 -3.0909 -3.0909 -2.9975 -2.9975 -2.6686 -2.6686 -1.7414 -1.7414 4.0449 4.0449 6.3401 6.3401 6.7632 6.7632 7.4096 7.4096 7.9746 7.9746 8.5062 8.5062 8.9009 8.9009 10.5437 10.5437 13.2590 13.2590 13.4864 13.4864 14.0941 14.0941 14.7778 14.7778 k = 0.2727 0.1575-0.0000 ( 2984 PWs) bands (ev): -43.7717 -43.7717 -21.3939 -21.3939 -19.3729 -19.3729 -19.2471 -19.2471 -3.9408 -3.9408 -3.9057 -3.9057 -3.1109 -3.1109 -3.0898 -3.0898 -2.9938 -2.9938 -2.6278 -2.6278 -1.7280 -1.7280 4.1078 4.1078 6.2877 6.2877 6.7126 6.7126 7.4475 7.4475 7.9351 7.9351 8.5396 8.5396 8.8880 8.8880 10.4932 10.4932 13.2765 13.2765 13.4832 13.4832 14.0587 14.0587 14.5924 14.5924 k = 0.2818 0.1627-0.0000 ( 2992 PWs) bands (ev): -43.7708 -43.7708 -21.3973 -21.3973 -19.3784 -19.3784 -19.2496 -19.2496 -3.9410 -3.9410 -3.9047 -3.9047 -3.1096 -3.1096 -3.0887 -3.0887 -2.9899 -2.9899 -2.5865 -2.5865 -1.7148 -1.7148 4.1706 4.1706 6.2372 6.2372 6.6625 6.6625 7.4848 7.4848 7.8967 7.8967 8.5723 8.5723 8.8755 8.8755 10.4481 10.4481 13.2934 13.2934 13.4821 13.4821 13.9867 13.9867 14.4459 14.4459 k = 0.2909 0.1680-0.0000 ( 2988 PWs) bands (ev): -43.7697 -43.7697 -21.4007 -21.4007 -19.3840 -19.3840 -19.2518 -19.2518 -3.9412 -3.9412 -3.9038 -3.9038 -3.1088 -3.1088 -3.0872 -3.0872 -2.9857 -2.9857 -2.5449 -2.5449 -1.7017 -1.7017 4.2328 4.2328 6.1889 6.1889 6.6131 6.6131 7.5215 7.5215 7.8593 7.8593 8.6041 8.6041 8.8638 8.8638 10.4086 10.4086 13.3085 13.3085 13.4832 13.4832 13.8639 13.8639 14.3540 14.3540 k = 0.3000 0.1732-0.0000 ( 2976 PWs) bands (ev): -43.7685 -43.7685 -21.4041 -21.4041 -19.3897 -19.3897 -19.2538 -19.2538 -3.9415 -3.9415 -3.9028 -3.9028 -3.1085 -3.1085 -3.0855 -3.0855 -2.9812 -2.9812 -2.5032 -2.5032 -1.6887 -1.6887 4.2940 4.2940 6.1430 6.1430 6.5644 6.5644 7.5574 7.5574 7.8231 7.8231 8.6348 8.6348 8.8529 8.8529 10.3748 10.3748 13.3193 13.3193 13.4864 13.4864 13.7031 13.7031 14.3067 14.3067 k = 0.3091 0.1785-0.0000 ( 2978 PWs) bands (ev): -43.7675 -43.7675 -21.4074 -21.4074 -19.3954 -19.3954 -19.2556 -19.2556 -3.9418 -3.9418 -3.9021 -3.9021 -3.1088 -3.1088 -3.0837 -3.0837 -2.9767 -2.9767 -2.4616 -2.4616 -1.6759 -1.6759 4.3538 4.3538 6.0998 6.0998 6.5167 6.5167 7.5928 7.5928 7.7881 7.7881 8.6640 8.6640 8.8433 8.8433 10.3466 10.3466 13.3153 13.3153 13.4898 13.4898 13.5376 13.5376 14.2830 14.2830 k = 0.3182 0.1837-0.0000 ( 2978 PWs) bands (ev): -43.7665 -43.7665 -21.4107 -21.4107 -19.4012 -19.4012 -19.2572 -19.2572 -3.9422 -3.9422 -3.9015 -3.9015 -3.1094 -3.1094 -3.0818 -3.0818 -2.9722 -2.9722 -2.4203 -2.4203 -1.6634 -1.6634 4.4117 4.4117 6.0595 6.0595 6.4700 6.4700 7.6278 7.6278 7.7543 7.7543 8.6912 8.6912 8.8354 8.8354 10.3238 10.3238 13.2420 13.2420 13.4258 13.4258 13.5018 13.5018 14.2706 14.2706 k = 0.3273 0.1890-0.0000 ( 2988 PWs) bands (ev): -43.7657 -43.7657 -21.4140 -21.4140 -19.4069 -19.4069 -19.2585 -19.2585 -3.9426 -3.9426 -3.9011 -3.9011 -3.1103 -3.1103 -3.0799 -3.0799 -2.9677 -2.9677 -2.3796 -2.3796 -1.6511 -1.6511 4.4673 4.4673 6.0224 6.0224 6.4245 6.4245 7.6627 7.6627 7.7220 7.7220 8.7155 8.7155 8.8300 8.8300 10.3062 10.3062 13.0772 13.0772 13.4076 13.4076 13.5107 13.5107 14.2638 14.2638 k = 0.3364 0.1942-0.0000 ( 2988 PWs) bands (ev): -43.7647 -43.7647 -21.4171 -21.4171 -19.4125 -19.4125 -19.2598 -19.2598 -3.9430 -3.9430 -3.9006 -3.9006 -3.1113 -3.1113 -3.0779 -3.0779 -2.9632 -2.9632 -2.3395 -2.3395 -1.6392 -1.6392 4.5201 4.5201 5.9885 5.9885 6.3803 6.3803 7.6906 7.6906 7.6984 7.6984 8.7354 8.7354 8.8286 8.8286 10.2930 10.2930 12.8906 12.8906 13.4107 13.4107 13.5219 13.5219 14.2601 14.2601 k = 0.3455 0.1994-0.0000 ( 2984 PWs) bands (ev): -43.7638 -43.7638 -21.4202 -21.4202 -19.4179 -19.4179 -19.2608 -19.2608 -3.9434 -3.9434 -3.9002 -3.9002 -3.1124 -3.1124 -3.0758 -3.0758 -2.9587 -2.9587 -2.3003 -2.3003 -1.6277 -1.6277 4.5697 4.5697 5.9581 5.9581 6.3376 6.3376 7.6613 7.6613 7.7343 7.7343 8.7490 8.7490 8.8331 8.8331 10.2835 10.2835 12.7024 12.7024 13.4173 13.4173 13.5348 13.5348 14.2582 14.2582 k = 0.3545 0.2047-0.0000 ( 2980 PWs) bands (ev): -43.7629 -43.7629 -21.4231 -21.4231 -19.4233 -19.4233 -19.2617 -19.2617 -3.9438 -3.9438 -3.8998 -3.8998 -3.1136 -3.1136 -3.0737 -3.0737 -2.9543 -2.9543 -2.2622 -2.2622 -1.6165 -1.6165 4.6155 4.6155 5.9311 5.9311 6.2965 6.2965 7.6332 7.6332 7.7720 7.7720 8.7556 8.7556 8.8441 8.8441 10.2768 10.2768 12.5175 12.5175 13.4240 13.4240 13.5490 13.5490 14.2573 14.2573 k = 0.3636 0.2099-0.0000 ( 2990 PWs) bands (ev): -43.7622 -43.7622 -21.4260 -21.4260 -19.4284 -19.4284 -19.2626 -19.2626 -3.9443 -3.9443 -3.8997 -3.8997 -3.1149 -3.1149 -3.0717 -3.0717 -2.9502 -2.9502 -2.2253 -2.2253 -1.6058 -1.6058 4.6573 4.6573 5.9077 5.9077 6.2572 6.2572 7.6066 7.6066 7.8118 7.8118 8.7569 8.7569 8.8596 8.8596 10.2715 10.2715 12.3381 12.3381 13.4299 13.4299 13.5644 13.5644 14.2572 14.2572 k = 0.3727 0.2152-0.0000 ( 2986 PWs) bands (ev): -43.7613 -43.7613 -21.4287 -21.4287 -19.4334 -19.4334 -19.2633 -19.2633 -3.9448 -3.9448 -3.8994 -3.8994 -3.1162 -3.1162 -3.0697 -3.0697 -2.9461 -2.9461 -2.1898 -2.1898 -1.5956 -1.5956 4.6947 4.6947 5.8877 5.8877 6.2197 6.2197 7.5816 7.5816 7.8543 7.8543 8.7556 8.7556 8.8772 8.8772 10.2661 10.2661 12.1661 12.1661 13.4346 13.4346 13.5807 13.5807 14.2575 14.2575 k = 0.3818 0.2204-0.0000 ( 2990 PWs) bands (ev): -43.7606 -43.7606 -21.4313 -21.4313 -19.4380 -19.4380 -19.2639 -19.2639 -3.9453 -3.9453 -3.8993 -3.8993 -3.1174 -3.1174 -3.0678 -3.0678 -2.9422 -2.9422 -2.1558 -2.1558 -1.5859 -1.5859 4.7277 4.7277 5.8711 5.8711 6.1842 6.1842 7.5582 7.5582 7.9000 7.9000 8.7530 8.7530 8.8952 8.8952 10.2587 10.2587 12.0034 12.0034 13.4379 13.4379 13.5978 13.5978 14.2582 14.2582 k = 0.3909 0.2257-0.0000 ( 2986 PWs) bands (ev): -43.7599 -43.7599 -21.4338 -21.4338 -19.4425 -19.4425 -19.2644 -19.2644 -3.9457 -3.9457 -3.8992 -3.8992 -3.1186 -3.1186 -3.0659 -3.0659 -2.9385 -2.9385 -2.1236 -2.1236 -1.5767 -1.5767 4.7562 4.7562 5.8575 5.8575 6.1509 6.1509 7.5364 7.5364 7.9496 7.9496 8.7501 8.7501 8.9128 8.9128 10.2470 10.2470 11.8519 11.8519 13.4400 13.4400 13.6154 13.6154 14.2591 14.2591 k = 0.4000 0.2309-0.0000 ( 2990 PWs) bands (ev): -43.7593 -43.7593 -21.4361 -21.4361 -19.4466 -19.4466 -19.2649 -19.2649 -3.9461 -3.9461 -3.8992 -3.8992 -3.1198 -3.1198 -3.0642 -3.0642 -2.9351 -2.9351 -2.0933 -2.0933 -1.5681 -1.5681 4.7803 4.7803 5.8468 5.8468 6.1198 6.1198 7.5162 7.5162 8.0034 8.0034 8.7472 8.7472 8.9294 8.9294 10.2285 10.2285 11.7138 11.7138 13.4408 13.4408 13.6333 13.6333 14.2602 14.2602 k = 0.4091 0.2362-0.0000 ( 2996 PWs) bands (ev): -43.7587 -43.7587 -21.4382 -21.4382 -19.4505 -19.4505 -19.2653 -19.2653 -3.9466 -3.9466 -3.8992 -3.8992 -3.1210 -3.1210 -3.0626 -3.0626 -2.9319 -2.9319 -2.0650 -2.0650 -1.5602 -1.5602 4.8003 4.8003 5.8384 5.8384 6.0910 6.0910 7.4977 7.4977 8.0615 8.0615 8.7445 8.7445 8.9449 8.9449 10.2009 10.2009 11.5913 11.5913 13.4406 13.4406 13.6511 13.6511 14.2614 14.2614 k = 0.4182 0.2414-0.0000 ( 3000 PWs) bands (ev): -43.7582 -43.7582 -21.4402 -21.4402 -19.4540 -19.4540 -19.2656 -19.2656 -3.9470 -3.9470 -3.8992 -3.8992 -3.1220 -3.1220 -3.0611 -3.0611 -2.9289 -2.9289 -2.0390 -2.0390 -1.5529 -1.5529 4.8165 4.8165 5.8322 5.8322 6.0646 6.0646 7.4809 7.4809 8.1240 8.1240 8.7421 8.7421 8.9591 8.9591 10.1619 10.1619 11.4863 11.4863 13.4396 13.4396 13.6685 13.6685 14.2627 14.2627 k = 0.4273 0.2467-0.0000 ( 2994 PWs) bands (ev): -43.7576 -43.7576 -21.4419 -21.4419 -19.4572 -19.4572 -19.2659 -19.2659 -3.9473 -3.9473 -3.8992 -3.8992 -3.1229 -3.1229 -3.0596 -3.0596 -2.9262 -2.9262 -2.0153 -2.0153 -1.5463 -1.5463 4.8294 4.8294 5.8276 5.8276 6.0407 6.0407 7.4658 7.4658 8.1906 8.1906 8.7400 8.7400 8.9718 8.9718 10.1105 10.1105 11.4001 11.4001 13.4380 13.4380 13.6852 13.6852 14.2641 14.2641 k = 0.4364 0.2519-0.0000 ( 2990 PWs) bands (ev): -43.7572 -43.7572 -21.4435 -21.4435 -19.4601 -19.4601 -19.2662 -19.2662 -3.9476 -3.9476 -3.8992 -3.8992 -3.1237 -3.1237 -3.0583 -3.0583 -2.9237 -2.9237 -1.9940 -1.9940 -1.5404 -1.5404 4.8394 4.8394 5.8243 5.8243 6.0195 6.0195 7.4525 7.4525 8.2607 8.2607 8.7382 8.7382 8.9832 8.9832 10.0470 10.0470 11.3323 11.3323 13.4359 13.4359 13.7010 13.7010 14.2654 14.2654 k = 0.4455 0.2572-0.0000 ( 2998 PWs) bands (ev): -43.7569 -43.7569 -21.4449 -21.4449 -19.4626 -19.4626 -19.2664 -19.2664 -3.9480 -3.9480 -3.8993 -3.8993 -3.1245 -3.1245 -3.0573 -3.0573 -2.9217 -2.9217 -1.9753 -1.9753 -1.5353 -1.5353 4.8470 4.8470 5.8220 5.8220 6.0009 6.0009 7.4409 7.4409 8.3332 8.3332 8.7367 8.7367 8.9931 8.9931 9.9737 9.9737 11.2815 11.2815 13.4336 13.4336 13.7153 13.7153 14.2667 14.2667 k = 0.4545 0.2624-0.0000 ( 2986 PWs) bands (ev): -43.7564 -43.7564 -21.4461 -21.4461 -19.4647 -19.4647 -19.2665 -19.2665 -3.9482 -3.9482 -3.8992 -3.8992 -3.1251 -3.1251 -3.0562 -3.0562 -2.9197 -2.9197 -1.9593 -1.9593 -1.5309 -1.5309 4.8525 4.8525 5.8205 5.8205 5.9851 5.9851 7.4311 7.4311 8.4065 8.4065 8.7355 8.7355 9.0014 9.0014 9.8942 9.8942 11.2450 11.2450 13.4313 13.4313 13.7281 13.7281 14.2680 14.2680 k = 0.4636 0.2677-0.0000 ( 2990 PWs) bands (ev): -43.7562 -43.7562 -21.4470 -21.4470 -19.4664 -19.4664 -19.2666 -19.2666 -3.9484 -3.9484 -3.8993 -3.8993 -3.1256 -3.1256 -3.0555 -3.0555 -2.9182 -2.9182 -1.9461 -1.9461 -1.5273 -1.5273 4.8565 4.8565 5.8195 5.8195 5.9720 5.9720 7.4230 7.4230 8.4779 8.4779 8.7346 8.7346 9.0083 9.0083 9.8137 9.8137 11.2201 11.2201 13.4292 13.4292 13.7390 13.7390 14.2691 14.2691 k = 0.4727 0.2729-0.0000 ( 2988 PWs) bands (ev): -43.7559 -43.7559 -21.4478 -21.4478 -19.4678 -19.4678 -19.2667 -19.2667 -3.9486 -3.9486 -3.8993 -3.8993 -3.1260 -3.1260 -3.0548 -3.0548 -2.9170 -2.9170 -1.9357 -1.9357 -1.5244 -1.5244 4.8593 4.8593 5.8188 5.8188 5.9618 5.9618 7.4168 7.4168 8.5436 8.5436 8.7338 8.7338 9.0137 9.0137 9.7383 9.7383 11.2037 11.2037 13.4274 13.4274 13.7477 13.7477 14.2700 14.2700 k = 0.4818 0.2782-0.0000 ( 2984 PWs) bands (ev): -43.7557 -43.7557 -21.4483 -21.4483 -19.4688 -19.4688 -19.2668 -19.2668 -3.9487 -3.9487 -3.8993 -3.8993 -3.1263 -3.1263 -3.0544 -3.0544 -2.9161 -2.9161 -1.9283 -1.9283 -1.5224 -1.5224 4.8611 4.8611 5.8184 5.8184 5.9544 5.9544 7.4123 7.4123 8.5984 8.5984 8.7334 8.7334 9.0176 9.0176 9.6752 9.6752 11.1937 11.1937 13.4260 13.4260 13.7540 13.7540 14.2707 14.2707 k = 0.4909 0.2834-0.0000 ( 2980 PWs) bands (ev): -43.7556 -43.7556 -21.4487 -21.4487 -19.4694 -19.4694 -19.2668 -19.2668 -3.9487 -3.9487 -3.8993 -3.8993 -3.1264 -3.1264 -3.0541 -3.0541 -2.9156 -2.9156 -1.9238 -1.9238 -1.5212 -1.5212 4.8620 4.8620 5.8182 5.8182 5.9500 5.9500 7.4096 7.4096 8.6355 8.6355 8.7331 8.7331 9.0199 9.0199 9.6326 9.6326 11.1883 11.1883 13.4251 13.4251 13.7579 13.7579 14.2711 14.2711 k = 0.5000 0.2887-0.0000 ( 2974 PWs) bands (ev): -43.7555 -43.7555 -21.4488 -21.4488 -19.4695 -19.4695 -19.2669 -19.2669 -3.9487 -3.9487 -3.8992 -3.8992 -3.1264 -3.1264 -3.0539 -3.0539 -2.9154 -2.9154 -1.9223 -1.9223 -1.5208 -1.5208 4.8624 4.8624 5.8181 5.8181 5.9486 5.9486 7.4087 7.4087 8.6487 8.6487 8.7330 8.7330 9.0207 9.0207 9.6174 9.6174 11.1866 11.1866 13.4248 13.4248 13.7592 13.7592 14.2713 14.2713 k = 0.5000 0.2887-0.0000 ( 2974 PWs) bands (ev): -43.7555 -43.7555 -21.4488 -21.4488 -19.4695 -19.4695 -19.2669 -19.2669 -3.9487 -3.9487 -3.8992 -3.8992 -3.1264 -3.1264 -3.0539 -3.0539 -2.9154 -2.9154 -1.9223 -1.9223 -1.5208 -1.5208 4.8624 4.8624 5.8181 5.8181 5.9486 5.9486 7.4087 7.4087 8.6487 8.6487 8.7330 8.7330 9.0207 9.0207 9.6174 9.6174 11.1866 11.1866 13.4248 13.4248 13.7592 13.7592 14.2713 14.2713 k = 0.4948 0.2977-0.0000 ( 2982 PWs) bands (ev): -43.7556 -43.7556 -21.4498 -21.4477 -19.4707 -19.4683 -19.2673 -19.2667 -3.9487 -3.9485 -3.8996 -3.8989 -3.1272 -3.1258 -3.0543 -3.0536 -2.9161 -2.9152 -1.9235 -1.9202 -1.5208 -1.5203 4.8630 4.8646 5.8175 5.8201 5.9468 5.9485 7.4071 7.4088 8.6483 8.6506 8.7333 8.7334 9.0119 9.0187 9.6186 9.6214 11.1837 11.1894 13.4278 13.4284 13.7559 13.7644 14.2653 14.2784 k = 0.4896 0.3067-0.0000 ( 2978 PWs) bands (ev): -43.7555 -43.7555 -21.4509 -21.4467 -19.4717 -19.4670 -19.2681 -19.2669 -3.9485 -3.9479 -3.8998 -3.8986 -3.1277 -3.1249 -3.0546 -3.0532 -2.9170 -2.9152 -1.9238 -1.9173 -1.5205 -1.5194 4.8666 4.8698 5.8183 5.8233 5.9432 5.9466 7.4040 7.4074 8.6490 8.6538 8.7341 8.7342 8.9930 9.0060 9.6248 9.6302 11.1808 11.1920 13.4374 13.4387 13.7544 13.7713 14.2606 14.2867 k = 0.4844 0.3157-0.0000 ( 2982 PWs) bands (ev): -43.7555 -43.7555 -21.4521 -21.4458 -19.4726 -19.4655 -19.2691 -19.2674 -3.9480 -3.9472 -3.9001 -3.8983 -3.1283 -3.1240 -3.0550 -3.0528 -2.9184 -2.9156 -1.9232 -1.9134 -1.5197 -1.5181 4.8731 4.8779 5.8204 5.8280 5.9378 5.9429 7.3996 7.4047 8.6507 8.6582 8.7354 8.7355 8.9649 8.9832 9.6359 9.6434 11.1780 11.1944 13.4534 13.4555 13.7538 13.7791 14.2577 14.2969 k = 0.4792 0.3248-0.0000 ( 2983 PWs) bands (ev): -43.7554 -43.7554 -21.4532 -21.4448 -19.4735 -19.4639 -19.2705 -19.2683 -3.9473 -3.9462 -3.9003 -3.8979 -3.1287 -3.1230 -3.0552 -3.0523 -2.9201 -2.9164 -1.9218 -1.9088 -1.5186 -1.5165 4.8825 4.8890 5.8238 5.8339 5.9305 5.9374 7.3941 7.4009 8.6524 8.6634 8.7368 8.7370 8.9295 8.9514 9.6514 9.6606 11.1754 11.1968 13.4757 13.4787 13.7532 13.7866 14.2577 14.3096 k = 0.4740 0.3338-0.0000 ( 2983 PWs) bands (ev): -43.7553 -43.7553 -21.4544 -21.4439 -19.4742 -19.4622 -19.2721 -19.2695 -3.9464 -3.9450 -3.9005 -3.8975 -3.1290 -3.1219 -3.0554 -3.0519 -2.9220 -2.9175 -1.9194 -1.9032 -1.5171 -1.5144 4.8948 4.9028 5.8285 5.8412 5.9214 5.9301 7.3877 7.3963 8.6524 8.6683 8.7378 8.7386 8.8895 8.9127 9.6708 9.6813 11.1732 11.1992 13.5039 13.5083 13.7515 13.7919 14.2621 14.3259 k = 0.4688 0.3428-0.0000 ( 2989 PWs) bands (ev): -43.7553 -43.7553 -21.4556 -21.4431 -19.4748 -19.4604 -19.2739 -19.2710 -3.9453 -3.9436 -3.9007 -3.8972 -3.1292 -3.1208 -3.0556 -3.0514 -2.9243 -2.9189 -1.9163 -1.8969 -1.5152 -1.5120 4.9099 4.9196 5.8342 5.8498 5.9105 5.9211 7.3809 7.3911 8.6466 8.6701 8.7386 8.7399 8.8497 8.8705 9.6937 9.7051 11.1718 11.2017 13.5375 13.5439 13.7478 13.7932 14.2725 14.3467 k = 0.4635 0.3518-0.0000 ( 2983 PWs) bands (ev): -43.7551 -43.7551 -21.4568 -21.4423 -19.4754 -19.4585 -19.2760 -19.2728 -3.9439 -3.9419 -3.9008 -3.8967 -3.1292 -3.1195 -3.0557 -3.0509 -2.9269 -2.9206 -1.9124 -1.8898 -1.5129 -1.5093 4.9278 4.9391 5.8410 5.8596 5.8978 5.9105 7.3739 7.3858 8.6274 8.6624 8.7400 8.7416 8.8173 8.8315 9.7198 9.7318 11.1711 11.2047 13.5751 13.5853 13.7418 13.7886 14.2904 14.3728 k = 0.4583 0.3608-0.0000 ( 2991 PWs) bands (ev): -43.7551 -43.7551 -21.4580 -21.4416 -19.4759 -19.4565 -19.2783 -19.2749 -3.9424 -3.9401 -3.9009 -3.8964 -3.1292 -3.1182 -3.0558 -3.0504 -2.9298 -2.9229 -1.9077 -1.8820 -1.5103 -1.5062 4.9485 4.9613 5.8480 5.8703 5.8836 5.8991 7.3672 7.3806 8.5875 8.6344 8.7440 8.7453 8.7979 8.8052 9.7489 9.7612 11.1716 11.2083 13.6130 13.6317 13.7361 13.7772 14.3165 14.4045 k = 0.4531 0.3699-0.0000 ( 2997 PWs) bands (ev): -43.7550 -43.7550 -21.4592 -21.4409 -19.4764 -19.4544 -19.2808 -19.2773 -3.9408 -3.9381 -3.9010 -3.8960 -3.1290 -3.1168 -3.0559 -3.0500 -2.9330 -2.9253 -1.9022 -1.8735 -1.5074 -1.5028 4.9718 4.9862 5.8532 5.8662 5.8838 5.8889 7.3610 7.3760 8.5285 8.5825 8.7510 8.7510 8.7901 8.7956 9.7808 9.7933 11.1733 11.2126 13.6396 13.6807 13.7413 13.7608 14.3510 14.4419 k = 0.4479 0.3789-0.0000 ( 2993 PWs) bands (ev): -43.7548 -43.7548 -21.4604 -21.4402 -19.4767 -19.4521 -19.2835 -19.2800 -3.9390 -3.9359 -3.9010 -3.8956 -3.1287 -3.1152 -3.0559 -3.0494 -2.9363 -2.9280 -1.8961 -1.8644 -1.5042 -1.4992 4.9978 5.0137 5.8485 5.8503 5.8864 5.8970 7.3559 7.3723 8.4562 8.5138 8.7556 8.7581 8.7913 8.7992 9.8155 9.8280 11.1765 11.2180 13.6380 13.7078 13.7636 13.7737 14.3931 14.4844 k = 0.4427 0.3879-0.0000 ( 2993 PWs) bands (ev): -43.7546 -43.7546 -21.4617 -21.4396 -19.4771 -19.4498 -19.2863 -19.2829 -3.9371 -3.9335 -3.9009 -3.8952 -3.1282 -3.1135 -3.0558 -3.0489 -2.9399 -2.9310 -1.8894 -1.8548 -1.5008 -1.4953 5.0263 5.0438 5.8290 5.8371 5.8937 5.9116 7.3519 7.3697 8.3752 8.4347 8.7572 8.7613 8.8015 8.8122 9.8530 9.8653 11.1813 11.2246 13.6146 13.6826 13.8163 13.8264 14.4418 14.5310 k = 0.4375 0.3969-0.0000 ( 2993 PWs) bands (ev): -43.7544 -43.7544 -21.4629 -21.4390 -19.4774 -19.4473 -19.2892 -19.2861 -3.9351 -3.9311 -3.9008 -3.8948 -3.1276 -3.1117 -3.0556 -3.0484 -2.9437 -2.9343 -1.8821 -1.8446 -1.4971 -1.4912 5.0572 5.0763 5.8080 5.8190 5.9055 5.9274 7.3493 7.3684 8.2879 8.3485 8.7562 8.7604 8.8186 8.8310 9.8932 9.9052 11.1879 11.2327 13.5799 13.6420 13.8819 13.8884 14.4957 14.5792 k = 0.4323 0.4059-0.0000 ( 2989 PWs) bands (ev): -43.7541 -43.7541 -21.4641 -21.4385 -19.4776 -19.4448 -19.2922 -19.2895 -3.9331 -3.9286 -3.9005 -3.8944 -3.1267 -3.1098 -3.0554 -3.0478 -2.9476 -2.9378 -1.8744 -1.8340 -1.4932 -1.4869 5.0905 5.1111 5.7858 5.7985 5.9196 5.9442 7.3484 7.3688 8.1961 8.2571 8.7533 8.7570 8.8400 8.8536 9.9361 9.9475 11.1963 11.2423 13.5375 13.5938 13.9527 13.9554 14.5530 14.6224 k = 0.4271 0.4150-0.0000 ( 2983 PWs) bands (ev): -43.7539 -43.7539 -21.4653 -21.4381 -19.4778 -19.4421 -19.2952 -19.2931 -3.9311 -3.9261 -3.9002 -3.8940 -3.1257 -3.1077 -3.0551 -3.0472 -2.9516 -2.9415 -1.8662 -1.8231 -1.4891 -1.4825 5.1261 5.1482 5.7624 5.7764 5.9352 5.9621 7.3493 7.3707 8.1006 8.1617 8.7487 8.7517 8.8644 8.8789 9.9817 9.9923 11.2068 11.2538 13.4888 13.5395 14.0244 14.0270 14.6070 14.6288 k = 0.4219 0.4240-0.0000 ( 2989 PWs) bands (ev): -43.7537 -43.7537 -21.4665 -21.4377 -19.4781 -19.4394 -19.2983 -19.2969 -3.9293 -3.9236 -3.8999 -3.8936 -3.1247 -3.1056 -3.0548 -3.0467 -2.9559 -2.9455 -1.8576 -1.8119 -1.4849 -1.4779 5.1638 5.1874 5.7382 5.7531 5.9520 5.9809 7.3520 7.3743 8.0025 8.0633 8.7425 8.7446 8.8914 8.9066 10.0299 10.0395 11.2194 11.2672 13.4343 13.4795 14.0901 14.1026 14.5282 14.5508 k = 0.4167 0.4330-0.0000 ( 2989 PWs) bands (ev): -43.7535 -43.7535 -21.4676 -21.4373 -19.4783 -19.4366 -19.3013 -19.3009 -3.9275 -3.9211 -3.8994 -3.8932 -3.1234 -3.1033 -3.0545 -3.0461 -2.9603 -2.9497 -1.8487 -1.8005 -1.4806 -1.4733 5.2036 5.2285 5.7135 5.7290 5.9701 6.0006 7.3566 7.3796 7.9025 7.9625 8.7347 8.7358 8.9206 8.9364 10.0807 10.0889 11.2341 11.2827 13.3743 13.4140 14.1316 14.1706 14.3814 14.3929 k = 0.4115 0.4420-0.0000 ( 2989 PWs) bands (ev): -43.7533 -43.7533 -21.4688 -21.4370 -19.4785 -19.4337 -19.3050 -19.3043 -3.9257 -3.9186 -3.8989 -3.8929 -3.1220 -3.1009 -3.0540 -3.0455 -2.9648 -2.9540 -1.8397 -1.7890 -1.4763 -1.4686 5.2452 5.2714 5.6883 5.7043 5.9892 6.0211 7.3629 7.3863 7.8012 7.8600 8.7253 8.7253 8.9518 8.9682 10.1339 10.1404 11.2511 11.3004 13.3088 13.3429 14.0737 14.1387 14.3100 14.3467 k = 0.4062 0.4511-0.0000 ( 2989 PWs) bands (ev): -43.7530 -43.7530 -21.4699 -21.4368 -19.4787 -19.4308 -19.3093 -19.3072 -3.9241 -3.9161 -3.8982 -3.8925 -3.1205 -3.0984 -3.0535 -3.0449 -2.9693 -2.9585 -1.8305 -1.7775 -1.4719 -1.4640 5.2884 5.3160 5.6630 5.6795 6.0094 6.0425 7.3710 7.3941 7.6997 7.7563 8.7133 8.7144 8.9851 9.0017 10.1893 10.1938 11.2703 11.3203 13.2373 13.2658 13.9256 13.9776 14.3705 14.3853 k = 0.4010 0.4601-0.0000 ( 2985 PWs) bands (ev): -43.7528 -43.7528 -21.4709 -21.4366 -19.4790 -19.4278 -19.3136 -19.3100 -3.9226 -3.9137 -3.8975 -3.8922 -3.1188 -3.0957 -3.0529 -3.0442 -2.9738 -2.9631 -1.8212 -1.7661 -1.4676 -1.4594 5.3332 5.3620 5.6380 5.6547 6.0306 6.0647 7.3806 7.4016 7.5995 7.6520 8.6997 8.7020 9.0201 9.0368 10.2468 10.2487 11.2917 11.3424 13.1591 13.1821 13.7607 13.8079 14.4208 14.4320 k = 0.3958 0.4691-0.0000 ( 2983 PWs) bands (ev): -43.7525 -43.7525 -21.4720 -21.4364 -19.4793 -19.4247 -19.3179 -19.3127 -3.9214 -3.9114 -3.8966 -3.8919 -3.1170 -3.0930 -3.0522 -3.0434 -2.9783 -2.9679 -1.8121 -1.7549 -1.4633 -1.4549 5.3793 5.4092 5.6134 5.6303 6.0528 6.0876 7.3915 7.4029 7.5071 7.5477 8.6848 8.6884 9.0568 9.0735 10.3049 10.3060 11.3152 11.3668 13.0725 13.0907 13.5991 13.6456 14.4182 14.4484 k = 0.3906 0.4781-0.0000 ( 2983 PWs) bands (ev): -43.7523 -43.7523 -21.4729 -21.4363 -19.4796 -19.4217 -19.3223 -19.3152 -3.9202 -3.9093 -3.8958 -3.8915 -3.1151 -3.0901 -3.0515 -3.0427 -2.9829 -2.9727 -1.8031 -1.7440 -1.4591 -1.4505 5.4263 5.4573 5.5896 5.6065 6.0760 6.1112 7.3621 7.4030 7.4445 7.4586 8.6687 8.6737 9.0951 9.1116 10.3617 10.3666 11.3407 11.3934 12.9758 12.9906 13.4483 13.4948 14.3949 14.4288 k = 0.3854 0.4871-0.0000 ( 2987 PWs) bands (ev): -43.7521 -43.7521 -21.4739 -21.4362 -19.4799 -19.4186 -19.3266 -19.3175 -3.9193 -3.9074 -3.8949 -3.8913 -3.1132 -3.0873 -3.0506 -3.0419 -2.9875 -2.9776 -1.7943 -1.7334 -1.4551 -1.4463 5.4739 5.5060 5.5669 5.5837 6.1001 6.1355 7.2735 7.3400 7.4176 7.4597 8.6517 8.6581 9.1347 9.1507 10.4186 10.4280 11.3682 11.4221 12.8674 12.8813 13.3125 13.3581 14.3675 14.4022 k = 0.3802 0.4962-0.0000 ( 2985 PWs) bands (ev): -43.7519 -43.7519 -21.4748 -21.4362 -19.4802 -19.4156 -19.3309 -19.3197 -3.9185 -3.9056 -3.8939 -3.8909 -3.1113 -3.0844 -3.0496 -3.0410 -2.9919 -2.9825 -1.7859 -1.7234 -1.4513 -1.4423 5.5204 5.5470 5.5544 5.5626 6.1253 6.1605 7.1769 7.2387 7.4310 7.4710 8.6342 8.6420 9.1753 9.1908 10.4747 10.4894 11.3975 11.4528 12.7479 12.7641 13.1937 13.2364 14.3411 14.3764 k = 0.3750 0.5052-0.0000 ( 2989 PWs) bands (ev): -43.7518 -43.7518 -21.4756 -21.4362 -19.4806 -19.4126 -19.3351 -19.3216 -3.9179 -3.9040 -3.8930 -3.8906 -3.1094 -3.0816 -3.0485 -3.0400 -2.9962 -2.9874 -1.7779 -1.7139 -1.4478 -1.4386 5.5231 5.5417 5.5721 5.6036 6.1514 6.1863 7.0804 7.1392 7.4450 7.4846 8.6164 8.6256 9.2166 9.2312 10.5290 10.5500 11.4284 11.4852 12.6202 12.6421 13.0911 13.1289 14.3175 14.3533 k = 0.3698 0.5142-0.0000 ( 2989 PWs) bands (ev): -43.7516 -43.7516 -21.4763 -21.4362 -19.4810 -19.4096 -19.3392 -19.3234 -3.9174 -3.9026 -3.8921 -3.8903 -3.1075 -3.0788 -3.0472 -3.0389 -3.0004 -2.9922 -1.7705 -1.7052 -1.4445 -1.4352 5.5053 5.5232 5.6188 5.6513 6.1786 6.2128 6.9860 7.0424 7.4589 7.4988 8.5988 8.6094 9.2580 9.2716 10.5800 10.6084 11.4609 11.5191 12.4893 12.5195 13.0023 13.0339 14.2971 14.3334 k = 0.3646 0.5232-0.0000 ( 2989 PWs) bands (ev): -43.7514 -43.7514 -21.4770 -21.4362 -19.4813 -19.4068 -19.3430 -19.3248 -3.9170 -3.9015 -3.8913 -3.8901 -3.1057 -3.0763 -3.0458 -3.0376 -3.0044 -2.9969 -1.7638 -1.6973 -1.4416 -1.4322 5.4889 5.5066 5.6647 5.6975 6.2068 6.2402 6.8946 6.9492 7.4723 7.5129 8.5819 8.5939 9.2988 9.3114 10.6263 10.6630 11.4951 11.5545 12.3602 12.4009 12.9250 12.9499 14.2800 14.3169 k = 0.3594 0.5322-0.0000 ( 2979 PWs) bands (ev): -43.7512 -43.7512 -21.4775 -21.4362 -19.4817 -19.4042 -19.3465 -19.3261 -3.9166 -3.9004 -3.8905 -3.8897 -3.1040 -3.0739 -3.0440 -3.0362 -3.0082 -3.0014 -1.7578 -1.6903 -1.4390 -1.4295 5.4745 5.4921 5.7083 5.7410 6.2358 6.2684 6.8074 6.8607 7.4849 7.5261 8.5661 8.5794 9.3382 9.3495 10.6659 10.7119 11.5311 11.5911 12.2373 12.2903 12.8581 12.8762 14.2663 14.3038 k = 0.3542 0.5413-0.0000 ( 2975 PWs) bands (ev): -43.7510 -43.7510 -21.4780 -21.4363 -19.4820 -19.4018 -19.3496 -19.3271 -3.9164 -3.8996 -3.8899 -3.8894 -3.1027 -3.0718 -3.0422 -3.0346 -3.0117 -3.0056 -1.7526 -1.6844 -1.4368 -1.4272 5.4624 5.4799 5.7484 5.7809 6.2652 6.2976 6.7258 6.7784 7.4960 7.5380 8.5520 8.5665 9.3749 9.3848 10.6971 10.7527 11.5697 11.6287 12.1238 12.1910 12.8014 12.8131 14.2557 14.2938 k = 0.3490 0.5503-0.0000 ( 2975 PWs) bands (ev): -43.7509 -43.7509 -21.4784 -21.4363 -19.4823 -19.3998 -19.3522 -19.3279 -3.9162 -3.8991 -3.8894 -3.8892 -3.1015 -3.0702 -3.0403 -3.0330 -3.0149 -3.0094 -1.7485 -1.6796 -1.4350 -1.4254 5.4527 5.4702 5.7834 5.8156 6.2939 6.3272 6.6516 6.7051 7.5054 7.5481 8.5401 8.5556 9.4074 9.4160 10.7186 10.7834 11.6120 11.6673 12.0219 12.1053 12.7556 12.7615 14.2482 14.2867 k = 0.3438 0.5593-0.0000 ( 2965 PWs) bands (ev): -43.7508 -43.7507 -21.4787 -21.4364 -19.4826 -19.3983 -19.3542 -19.3284 -3.9160 -3.8987 -3.8889 -3.8889 -3.1006 -3.0689 -3.0385 -3.0313 -3.0175 -3.0124 -1.7454 -1.6760 -1.4337 -1.4241 5.4456 5.4631 5.8112 5.8432 6.3196 6.3563 6.5880 6.6447 7.5125 7.5557 8.5311 8.5474 9.4336 9.4410 10.7305 10.8029 11.6591 11.7055 11.9326 12.0352 12.7217 12.7230 14.2434 14.2823 k = 0.3385 0.5683-0.0000 ( 2953 PWs) bands (ev): -43.7506 -43.7506 -21.4788 -21.4364 -19.4827 -19.3973 -19.3554 -19.3287 -3.9159 -3.8984 -3.8887 -3.8886 -3.1000 -3.0680 -3.0372 -3.0298 -3.0195 -3.0144 -1.7434 -1.6738 -1.4329 -1.4233 5.4413 5.4587 5.8295 5.8615 6.3380 6.3807 6.5413 6.6039 7.5170 7.5606 8.5254 8.5422 9.4512 9.4578 10.7346 10.8120 11.7113 11.7386 11.8562 11.9845 12.6992 12.7009 14.2408 14.2800 k = 0.3333 0.5774-0.0000 ( 2943 PWs) bands (ev): -43.7505 -43.7505 -21.4789 -21.4364 -19.4827 -19.3970 -19.3559 -19.3288 -3.9159 -3.8983 -3.8885 -3.8884 -3.0998 -3.0677 -3.0367 -3.0291 -3.0203 -3.0150 -1.7428 -1.6731 -1.4327 -1.4230 5.4398 5.4573 5.8360 5.8680 6.3443 6.3909 6.5232 6.5896 7.5186 7.5623 8.5234 8.5403 9.4576 9.4639 10.7350 10.8141 11.7515 11.7536 11.8085 11.9642 12.6912 12.6940 14.2401 14.2794 k = 0.3333 0.5774-0.0000 ( 2943 PWs) bands (ev): -43.7505 -43.7505 -21.4789 -21.4364 -19.4827 -19.3970 -19.3559 -19.3288 -3.9159 -3.8983 -3.8885 -3.8884 -3.0998 -3.0677 -3.0367 -3.0291 -3.0203 -3.0150 -1.7428 -1.6731 -1.4327 -1.4230 5.4398 5.4573 5.8360 5.8680 6.3443 6.3909 6.5232 6.5896 7.5186 7.5623 8.5234 8.5403 9.4576 9.4639 10.7350 10.8141 11.7515 11.7536 11.8085 11.9642 12.6912 12.6940 14.2401 14.2794 k = 0.3280 0.5682-0.0000 ( 2951 PWs) bands (ev): -43.7506 -43.7506 -21.4788 -21.4364 -19.4827 -19.3973 -19.3554 -19.3287 -3.9159 -3.8984 -3.8887 -3.8886 -3.1000 -3.0680 -3.0372 -3.0298 -3.0195 -3.0144 -1.7435 -1.6739 -1.4330 -1.4233 5.4414 5.4588 5.8290 5.8608 6.3398 6.3831 6.5394 6.6027 7.5169 7.5605 8.5256 8.5423 9.4502 9.4569 10.7364 10.8138 11.7090 11.7367 11.8578 11.9857 12.6993 12.7011 14.2406 14.2798 k = 0.3228 0.5590-0.0000 ( 2961 PWs) bands (ev): -43.7507 -43.7507 -21.4787 -21.4363 -19.4825 -19.3982 -19.3543 -19.3284 -3.9160 -3.8986 -3.8889 -3.8889 -3.1006 -3.0690 -3.0382 -3.0312 -3.0177 -3.0126 -1.7457 -1.6764 -1.4338 -1.4242 5.4461 5.4635 5.8080 5.8390 6.3324 6.3708 6.5764 6.6359 7.5119 7.5551 8.5320 8.5482 9.4272 9.4349 10.7440 10.8164 11.6504 11.6955 11.9350 12.0392 12.7220 12.7232 14.2418 14.2806 k = 0.3175 0.5499-0.0000 ( 2969 PWs) bands (ev): -43.7509 -43.7509 -21.4783 -21.4362 -19.4821 -19.3994 -19.3525 -19.3279 -3.9161 -3.8989 -3.8893 -3.8892 -3.1015 -3.0704 -3.0395 -3.0327 -3.0153 -3.0099 -1.7495 -1.6806 -1.4353 -1.4257 5.4540 5.4715 5.7751 5.8043 6.3281 6.3629 6.6233 6.6812 7.5036 7.5461 8.5429 8.5582 9.3881 9.3973 10.7612 10.8259 11.5927 11.6432 12.0211 12.1102 12.7555 12.7610 14.2428 14.2808 k = 0.3122 0.5407-0.0000 ( 2973 PWs) bands (ev): -43.7511 -43.7510 -21.4779 -21.4361 -19.4816 -19.4009 -19.3502 -19.3273 -3.9162 -3.8993 -3.8899 -3.8896 -3.1025 -3.0724 -3.0406 -3.0342 -3.0126 -3.0068 -1.7549 -1.6867 -1.4374 -1.4278 5.4652 5.4828 5.7332 5.7598 6.3283 6.3602 6.6759 6.7339 7.4921 7.5338 8.5579 8.5720 9.3341 9.3451 10.7893 10.8438 11.5376 11.5865 12.1137 12.1917 12.8002 12.8110 14.2428 14.2794 k = 0.3069 0.5315-0.0000 ( 2973 PWs) bands (ev): -43.7512 -43.7512 -21.4772 -21.4359 -19.4808 -19.4026 -19.3475 -19.3265 -3.9163 -3.8997 -3.8905 -3.8900 -3.1038 -3.0748 -3.0415 -3.0355 -3.0098 -3.0035 -1.7621 -1.6947 -1.4401 -1.4306 5.4797 5.4974 5.6853 5.7087 6.3321 6.3612 6.7326 6.7914 7.4778 7.5185 8.5769 8.5896 9.2675 9.2803 10.8274 10.8687 11.4873 11.5292 12.2114 12.2805 12.8543 12.8711 14.2406 14.2753 k = 0.3016 0.5224-0.0000 ( 2981 PWs) bands (ev): -43.7515 -43.7515 -21.4764 -21.4356 -19.4798 -19.4042 -19.3446 -19.3255 -3.9164 -3.9003 -3.8913 -3.8906 -3.1052 -3.0776 -3.0422 -3.0367 -3.0070 -3.0002 -1.7710 -1.7046 -1.4435 -1.4340 5.4975 5.5154 5.6339 5.6538 6.3378 6.3641 6.7923 6.8522 7.4610 7.5007 8.5994 8.6106 9.1912 9.2054 10.8723 10.8966 11.4459 11.4753 12.3134 12.3749 12.9164 12.9395 14.2351 14.2671 k = 0.2963 0.5132-0.0000 ( 2989 PWs) bands (ev): -43.7518 -43.7518 -21.4755 -21.4353 -19.4786 -19.4058 -19.3415 -19.3244 -3.9166 -3.9010 -3.8922 -3.8912 -3.1068 -3.0806 -3.0427 -3.0379 -3.0043 -2.9969 -1.7818 -1.7166 -1.4475 -1.4381 5.5183 5.5368 5.5811 5.5971 6.3442 6.3674 6.8541 6.9154 7.4421 7.4808 8.6251 8.6345 9.1081 9.1234 10.9182 10.9203 11.4198 11.4302 12.4188 12.4736 12.9853 13.0148 14.2251 14.2538 k = 0.2910 0.5040-0.0000 ( 2993 PWs) bands (ev): -43.7521 -43.7521 -21.4744 -21.4348 -19.4771 -19.4072 -19.3383 -19.3232 -3.9168 -3.9017 -3.8931 -3.8919 -3.1084 -3.0838 -3.0430 -3.0388 -3.0017 -2.9938 -1.7945 -1.7306 -1.4521 -1.4428 5.5248 5.5399 5.5457 5.5616 6.3502 6.3702 6.9175 6.9800 7.4216 7.4593 8.6535 8.6611 9.0210 9.0369 10.9308 10.9558 11.4029 11.4172 12.5268 12.5757 13.0597 13.0956 14.2098 14.2342 k = 0.2857 0.4949-0.0000 ( 2989 PWs) bands (ev): -43.7524 -43.7524 -21.4731 -21.4343 -19.4754 -19.4084 -19.3350 -19.3219 -3.9169 -3.9024 -3.8941 -3.8924 -3.1100 -3.0870 -3.0431 -3.0396 -2.9991 -2.9907 -1.8090 -1.7466 -1.4574 -1.4482 5.4733 5.4830 5.5720 5.5897 6.3550 6.3716 6.9820 7.0457 7.4000 7.4368 8.6841 8.6899 8.9323 8.9485 10.9221 10.9730 11.4048 11.4434 12.6367 12.6806 13.1387 13.1809 14.1883 14.2078 k = 0.2804 0.4857-0.0000 ( 2987 PWs) bands (ev): -43.7527 -43.7527 -21.4717 -21.4336 -19.4734 -19.4095 -19.3316 -19.3205 -3.9170 -3.9032 -3.8951 -3.8931 -3.1116 -3.0901 -3.0432 -3.0404 -2.9969 -2.9879 -1.8255 -1.7647 -1.4633 -1.4542 5.4211 5.4269 5.6030 5.6212 6.3582 6.3711 7.0469 7.1117 7.3777 7.4138 8.7165 8.7205 8.8439 8.8600 10.8948 10.9631 11.4420 11.4970 12.7478 12.7875 13.2214 13.2699 14.1605 14.1745 k = 0.2751 0.4765-0.0000 ( 2995 PWs) bands (ev): -43.7532 -43.7532 -21.4701 -21.4329 -19.4711 -19.4103 -19.3282 -19.3190 -3.9171 -3.9042 -3.8963 -3.8938 -3.1132 -3.0933 -3.0432 -3.0411 -2.9950 -2.9856 -1.8440 -1.7849 -1.4698 -1.4608 5.3698 5.3720 5.6375 5.6560 6.3594 6.3686 7.1116 7.1774 7.3553 7.3911 8.7479 8.7524 8.7596 8.7732 10.8545 10.9310 11.5091 11.5720 12.8593 12.8957 13.3074 13.3617 14.1265 14.1348 k = 0.2698 0.4674-0.0000 ( 2995 PWs) bands (ev): -43.7537 -43.7537 -21.4683 -21.4321 -19.4686 -19.4108 -19.3248 -19.3174 -3.9173 -3.9052 -3.8974 -3.8944 -3.1147 -3.0964 -3.0431 -3.0417 -2.9932 -2.9833 -1.8644 -1.8071 -1.4769 -1.4680 5.3183 5.3196 5.6752 5.6940 6.3583 6.3637 7.1750 7.2418 7.3339 7.3694 8.6733 8.6895 8.7853 8.7855 10.8066 10.8861 11.5967 11.6625 12.9702 13.0045 13.3960 13.4561 14.0872 14.0896 k = 0.2646 0.4582-0.0000 ( 2995 PWs) bands (ev): -43.7542 -43.7542 -21.4664 -21.4311 -19.4657 -19.4111 -19.3213 -19.3157 -3.9174 -3.9062 -3.8986 -3.8951 -3.1162 -3.0994 -3.0429 -3.0422 -2.9917 -2.9814 -1.8867 -1.8314 -1.4846 -1.4759 5.2658 5.2705 5.7160 5.7351 6.3550 6.3566 7.2346 7.2929 7.3252 7.3514 8.5940 8.6099 8.8188 8.8208 10.7551 10.8349 11.6976 11.7645 13.0795 13.1131 13.4867 13.5524 14.0403 14.0437 k = 0.2593 0.4491-0.0000 ( 2999 PWs) bands (ev): -43.7547 -43.7547 -21.4643 -21.4300 -19.4626 -19.4111 -19.3179 -19.3140 -3.9176 -3.9074 -3.8998 -3.8957 -3.1175 -3.1024 -3.0428 -3.0428 -2.9906 -2.9799 -1.9109 -1.8577 -1.4929 -1.4843 5.2143 5.2222 5.7599 5.7793 6.3473 6.3494 7.2781 7.2840 7.3492 7.3757 8.5197 8.5355 8.8526 8.8564 10.7024 10.7816 11.8076 11.8750 13.1859 13.2203 13.5788 13.6500 13.9886 13.9979 k = 0.2540 0.4399-0.0000 ( 3001 PWs) bands (ev): -43.7553 -43.7553 -21.4620 -21.4288 -19.4592 -19.4108 -19.3144 -19.3122 -3.9178 -3.9085 -3.9010 -3.8963 -3.1188 -3.1051 -3.0433 -3.0426 -2.9899 -2.9788 -1.9369 -1.8859 -1.5017 -1.4933 5.1637 5.1746 5.8067 5.8265 6.3361 6.3417 7.2648 7.2820 7.3860 7.4353 8.4511 8.4670 8.8863 8.8919 10.6503 10.7284 11.9242 11.9923 13.2879 13.3252 13.6699 13.7462 13.9384 13.9532 k = 0.2487 0.4307-0.0000 ( 3001 PWs) bands (ev): -43.7560 -43.7560 -21.4596 -21.4275 -19.4556 -19.4103 -19.3110 -19.3104 -3.9180 -3.9097 -3.9021 -3.8968 -3.1199 -3.1078 -3.0437 -3.0424 -2.9894 -2.9779 -1.9647 -1.9160 -1.5110 -1.5028 5.1138 5.1274 5.8563 5.8765 6.3235 6.3322 7.2462 7.2684 7.4391 7.4929 8.3887 8.4053 8.9197 8.9271 10.5998 10.6767 12.0456 12.1149 13.3840 13.4262 13.7500 13.8167 13.9150 13.9201 k = 0.2434 0.4216-0.0000 ( 2993 PWs) bands (ev): -43.7565 -43.7565 -21.4570 -21.4260 -19.4516 -19.4094 -19.3085 -19.3075 -3.9181 -3.9109 -3.9032 -3.8973 -3.1208 -3.1102 -3.0441 -3.0422 -2.9893 -2.9774 -1.9943 -1.9478 -1.5208 -1.5128 5.0641 5.0801 5.9086 5.9292 6.3099 6.3213 7.2289 7.2527 7.4928 7.5467 8.3331 8.3510 8.9525 8.9617 10.5518 10.6274 12.1704 12.2418 13.4721 13.5222 13.7813 13.7952 13.9363 13.9854 k = 0.2381 0.4124-0.0000 ( 2991 PWs) bands (ev): -43.7572 -43.7572 -21.4543 -21.4245 -19.4474 -19.4083 -19.3065 -19.3041 -3.9184 -3.9122 -3.9042 -3.8978 -3.1217 -3.1125 -3.0445 -3.0420 -2.9896 -2.9773 -2.0255 -1.9814 -1.5311 -1.5233 5.0143 5.0324 5.9634 5.9844 6.2959 6.3097 7.2135 7.2378 7.5433 7.5952 8.2850 8.3051 8.9844 8.9954 10.5070 10.5814 12.2974 12.3718 13.5495 13.6119 13.7435 13.7568 14.0073 14.0863 k = 0.2328 0.4032-0.0000 ( 2987 PWs) bands (ev): -43.7579 -43.7579 -21.4514 -21.4228 -19.4429 -19.4068 -19.3045 -19.3007 -3.9187 -3.9134 -3.9051 -3.8983 -3.1224 -3.1147 -3.0449 -3.0418 -2.9902 -2.9776 -2.0583 -2.0166 -1.5419 -1.5343 4.9641 4.9839 6.0205 6.0419 6.2823 6.2978 7.2002 7.2246 7.5884 7.6370 8.2450 8.2685 9.0152 9.0279 10.4660 10.5392 12.4251 12.5038 13.6067 13.6866 13.6960 13.7274 14.0839 14.1824 k = 0.2275 0.3941-0.0000 ( 2987 PWs) bands (ev): -43.7587 -43.7587 -21.4483 -21.4210 -19.4382 -19.4051 -19.3025 -19.2973 -3.9192 -3.9148 -3.9060 -3.8987 -3.1230 -3.1168 -3.0453 -3.0417 -2.9912 -2.9783 -2.0926 -2.0533 -1.5531 -1.5457 4.9132 4.9342 6.0796 6.1015 6.2698 6.2865 7.1894 7.2137 7.6264 7.6701 8.2141 8.2422 9.0446 9.0590 10.4293 10.5012 12.5517 12.6361 13.6137 13.6331 13.7361 13.7690 14.1412 14.2362 k = 0.2222 0.3849-0.0000 ( 2991 PWs) bands (ev): -43.7595 -43.7595 -21.4452 -21.4190 -19.4333 -19.4032 -19.3004 -19.2939 -3.9196 -3.9161 -3.9069 -3.8993 -3.1235 -3.1187 -3.0457 -3.0415 -2.9927 -2.9794 -2.1283 -2.0914 -1.5646 -1.5575 4.8612 4.8831 6.1406 6.1630 6.2592 6.2765 7.1813 7.2054 7.6555 7.6929 8.1931 8.2271 9.0725 9.0886 10.3972 10.4678 12.6751 12.7668 13.5787 13.5792 13.7785 13.8359 14.1704 14.2323 k = 0.2169 0.3757-0.0000 ( 2999 PWs) bands (ev): -43.7605 -43.7605 -21.4419 -21.4170 -19.4282 -19.4009 -19.2982 -19.2905 -3.9203 -3.9175 -3.9078 -3.8998 -3.1239 -3.1205 -3.0462 -3.0415 -2.9945 -2.9809 -2.1653 -2.1308 -1.5766 -1.5697 4.8078 4.8302 6.2029 6.2259 6.2512 6.2683 7.1762 7.2000 7.6739 7.7045 8.1826 8.2232 9.0987 9.1165 10.3702 10.4396 12.7924 12.8930 13.5271 13.5341 13.8251 13.8964 14.1802 14.2162 k = 0.2116 0.3666-0.0000 ( 3003 PWs) bands (ev): -43.7614 -43.7614 -21.4385 -21.4148 -19.4229 -19.3985 -19.2959 -19.2871 -3.9209 -3.9188 -3.9085 -3.9003 -3.1242 -3.1222 -3.0467 -3.0415 -2.9966 -2.9827 -2.2034 -2.1713 -1.5889 -1.5822 4.7530 4.7754 6.2452 6.2628 6.2676 6.2900 7.1746 7.1980 7.6813 7.7051 8.1824 8.2294 9.1230 9.1424 10.3487 10.4167 12.8998 13.0105 13.4772 13.4883 13.8720 13.9535 14.1848 14.2075 k = 0.2063 0.3574-0.0000 ( 3007 PWs) bands (ev): -43.7623 -43.7623 -21.4350 -21.4126 -19.4175 -19.3958 -19.2936 -19.2837 -3.9216 -3.9201 -3.9092 -3.9008 -3.1243 -3.1237 -3.0473 -3.0414 -2.9991 -2.9849 -2.2425 -2.2128 -1.6014 -1.5951 4.6965 4.7186 6.2443 6.2605 6.3317 6.3549 7.1766 7.1996 7.6781 7.6961 8.1909 8.2432 9.1453 9.1662 10.3329 10.3995 12.9933 13.1139 13.4300 13.4435 13.9240 14.0127 14.1921 14.2098 k = 0.2011 0.3482-0.0000 ( 3011 PWs) bands (ev): -43.7633 -43.7633 -21.4314 -21.4102 -19.4119 -19.3929 -19.2911 -19.2803 -3.9223 -3.9214 -3.9098 -3.9014 -3.1251 -3.1243 -3.0479 -3.0414 -3.0018 -2.9873 -2.2825 -2.2552 -1.6143 -1.6082 4.6383 4.6598 6.2471 6.2617 6.3965 6.4200 7.1829 7.2052 7.6660 7.6794 8.2058 8.2621 9.1655 9.1879 10.3233 10.3883 13.0690 13.1978 13.3859 13.4006 13.9876 14.0796 14.2054 14.2227 k = 0.1958 0.3391-0.0000 ( 3011 PWs) bands (ev): -43.7643 -43.7643 -21.4277 -21.4077 -19.4062 -19.3898 -19.2885 -19.2768 -3.9231 -3.9227 -3.9103 -3.9019 -3.1264 -3.1242 -3.0487 -3.0416 -3.0046 -2.9900 -2.3233 -2.2983 -1.6274 -1.6215 4.5785 4.5991 6.2541 6.2669 6.4612 6.4847 7.1938 7.2153 7.6467 7.6568 8.2244 8.2833 9.1834 9.2073 10.3201 10.3833 13.1249 13.2588 13.3455 13.3602 14.0654 14.1538 14.2278 14.2493 k = 0.1905 0.3299-0.0000 ( 3003 PWs) bands (ev): -43.7652 -43.7652 -21.4240 -21.4052 -19.4005 -19.3865 -19.2859 -19.2733 -3.9239 -3.9238 -3.9108 -3.9024 -3.1275 -3.1239 -3.0497 -3.0417 -3.0075 -2.9927 -2.3647 -2.3421 -1.6407 -1.6351 4.5172 4.5368 6.2655 6.2763 6.5252 6.5484 7.2100 7.2304 7.6220 7.6298 8.2443 8.3047 9.1990 9.2243 10.3234 10.3847 13.1613 13.2964 13.3101 13.3240 14.1431 14.2112 14.2737 14.3129 k = 0.1852 0.3208-0.0000 ( 2989 PWs) bands (ev): -43.7661 -43.7661 -21.4201 -21.4025 -19.3947 -19.3831 -19.2830 -19.2698 -3.9251 -3.9246 -3.9111 -3.9028 -3.1285 -3.1235 -3.0510 -3.0421 -3.0102 -2.9955 -2.4066 -2.3862 -1.6541 -1.6489 4.4545 4.4730 6.2814 6.2900 6.5877 6.6105 7.2319 7.2509 7.5933 7.5994 8.2637 8.3245 9.2123 9.2388 10.3335 10.3927 13.1792 13.2821 13.2836 13.3244 14.1904 14.2389 14.3695 14.4234 k = 0.1799 0.3116-0.0000 ( 2987 PWs) bands (ev): -43.7671 -43.7671 -21.4162 -21.3998 -19.3890 -19.3795 -19.2800 -19.2662 -3.9263 -3.9255 -3.9116 -3.9034 -3.1295 -3.1232 -3.0528 -3.0426 -3.0130 -2.9985 -2.4487 -2.4306 -1.6678 -1.6628 4.3908 4.4079 6.3017 6.3079 6.6482 6.6700 7.2601 7.2773 7.5614 7.5666 8.2811 8.3417 9.2232 9.2509 10.3504 10.4074 13.1791 13.2518 13.2653 13.3357 14.2130 14.2554 14.5039 14.5579 k = 0.1746 0.3024-0.0000 ( 3001 PWs) bands (ev): -43.7683 -43.7683 -21.4123 -21.3970 -19.3833 -19.3759 -19.2768 -19.2625 -3.9275 -3.9264 -3.9123 -3.9042 -3.1306 -3.1229 -3.0552 -3.0436 -3.0157 -3.0017 -2.4911 -2.4751 -1.6815 -1.6768 4.3261 4.3420 6.3263 6.3302 6.7061 6.7265 7.2951 7.3100 7.5273 7.5317 8.2955 8.3553 9.2318 9.2605 10.3741 10.4286 13.1650 13.2221 13.2598 13.3419 14.2259 14.2667 14.6568 14.7059 k = 0.1693 0.2933-0.0000 ( 3007 PWs) bands (ev): -43.7694 -43.7694 -21.4084 -21.3942 -19.3777 -19.3722 -19.2734 -19.2587 -3.9287 -3.9274 -3.9129 -3.9050 -3.1317 -3.1225 -3.0582 -3.0449 -3.0180 -3.0046 -2.5334 -2.5196 -1.6954 -1.6909 4.2609 4.2754 6.3550 6.3565 6.7608 6.7795 7.3371 7.3493 7.4914 7.4953 8.3063 8.3649 9.2380 9.2677 10.4045 10.4564 13.1449 13.1953 13.2608 13.3458 14.2336 14.2741 14.8182 14.8597 k = 0.1640 0.2841-0.0000 ( 3011 PWs) bands (ev): -43.7705 -43.7705 -21.4045 -21.3914 -19.3723 -19.3685 -19.2697 -19.2549 -3.9299 -3.9283 -3.9135 -3.9058 -3.1328 -3.1222 -3.0619 -3.0466 -3.0198 -3.0072 -2.5755 -2.5638 -1.7093 -1.7051 4.1954 4.2086 6.3868 6.3876 6.8123 6.8288 7.3860 7.3948 7.4543 7.4577 8.3132 8.3701 9.2419 9.2725 10.4414 10.4907 13.1240 13.1714 13.2653 13.3496 14.2375 14.2781 14.9636 14.9912 k = 0.1587 0.2749-0.0000 ( 3007 PWs) bands (ev): -43.7716 -43.7716 -21.4005 -21.3885 -19.3670 -19.3647 -19.2658 -19.2509 -3.9310 -3.9292 -3.9142 -3.9067 -3.1339 -3.1217 -3.0665 -3.0488 -3.0210 -3.0094 -2.6172 -2.6076 -1.7232 -1.7193 4.1298 4.1418 6.4208 6.4238 6.8606 6.8748 7.4140 7.4186 7.4420 7.4488 8.3159 8.3709 9.2436 9.2749 10.4846 10.5311 13.1046 13.1505 13.2724 13.3549 14.2383 14.2789 14.9850 15.0102 k = 0.1534 0.2658-0.0000 ( 2995 PWs) bands (ev): -43.7726 -43.7726 -21.3966 -21.3855 -19.3620 -19.3610 -19.2616 -19.2468 -3.9320 -3.9300 -3.9148 -3.9075 -3.1352 -3.1213 -3.0718 -3.0516 -3.0217 -3.0111 -2.6583 -2.6508 -1.7371 -1.7334 4.0645 4.0753 6.4581 6.4632 6.9060 6.9178 7.3758 7.3799 7.5026 7.5056 8.3144 8.3673 9.2431 9.2751 10.5336 10.5773 13.0875 13.1326 13.2823 13.3625 14.2362 14.2768 14.9484 14.9762 k = 0.1481 0.2566-0.0000 ( 2991 PWs) bands (ev): -43.7736 -43.7736 -21.3927 -21.3826 -19.3573 -19.3572 -19.2571 -19.2425 -3.9331 -3.9309 -3.9155 -3.9085 -3.1368 -3.1211 -3.0780 -3.0551 -3.0220 -3.0124 -2.6986 -2.6931 -1.7509 -1.7475 3.9996 4.0093 6.4985 6.5056 6.9490 6.9585 7.3365 7.3407 7.5681 7.5683 8.3090 8.3596 9.2407 9.2732 10.5882 10.6290 13.0731 13.1178 13.2952 13.3727 14.2316 14.2721 14.9020 14.9312 k = 0.1429 0.2474-0.0000 ( 2991 PWs) bands (ev): -43.7747 -43.7747 -21.3888 -21.3796 -19.3537 -19.3527 -19.2523 -19.2382 -3.9342 -3.9318 -3.9164 -3.9095 -3.1387 -3.1212 -3.0850 -3.0592 -3.0220 -3.0133 -2.7378 -2.7343 -1.7647 -1.7616 3.9355 3.9441 6.5415 6.5505 6.9902 6.9975 7.2972 7.3016 7.6346 7.6379 8.2998 8.3481 9.2363 9.2692 10.6477 10.6857 13.0617 13.1060 13.3109 13.3860 14.2247 14.2650 14.8506 14.8806 k = 0.1376 0.2383-0.0000 ( 2999 PWs) bands (ev): -43.7759 -43.7759 -21.3850 -21.3767 -19.3502 -19.3485 -19.2472 -19.2337 -3.9353 -3.9327 -3.9175 -3.9108 -3.1413 -3.1219 -3.0926 -3.0640 -3.0216 -3.0138 -2.7756 -2.7741 -1.7784 -1.7755 3.8724 3.8800 6.5865 6.5972 7.0302 7.0355 7.2584 7.2631 7.7041 7.7102 8.2872 8.3331 9.2301 9.2633 10.7118 10.7470 13.0533 13.0972 13.3296 13.4021 14.2159 14.2559 14.7955 14.8260 k = 0.1323 0.2291-0.0000 ( 2991 PWs) bands (ev): -43.7769 -43.7769 -21.3812 -21.3737 -19.3468 -19.3447 -19.2419 -19.2290 -3.9363 -3.9336 -3.9184 -3.9120 -3.1446 -3.1236 -3.1001 -3.0691 -3.0209 -3.0138 -2.8122 -2.8117 -1.7920 -1.7893 3.8104 3.8171 6.6330 6.6453 7.0694 7.0729 7.2208 7.2260 7.7758 7.7845 8.2716 8.3151 9.2222 9.2557 10.7798 10.8124 13.0481 13.0916 13.3511 13.4210 14.2054 14.2450 14.7374 14.7683 k = 0.1270 0.2199-0.0000 ( 2985 PWs) bands (ev): -43.7779 -43.7779 -21.3775 -21.3708 -19.3435 -19.3411 -19.2363 -19.2242 -3.9373 -3.9345 -3.9195 -3.9133 -3.1491 -3.1280 -3.1065 -3.0745 -3.0199 -3.0135 -2.8482 -2.8457 -1.8053 -1.8029 3.7497 3.7556 6.6799 6.6936 7.1082 7.1097 7.1852 7.1913 7.8489 7.8599 8.2534 8.2944 9.2129 9.2465 10.8514 10.8813 13.0461 13.0890 13.3750 13.4425 14.1935 14.2326 14.6769 14.7079 k = 0.1217 0.2108-0.0000 ( 2985 PWs) bands (ev): -43.7790 -43.7789 -21.3739 -21.3679 -19.3405 -19.3378 -19.2305 -19.2193 -3.9383 -3.9354 -3.9207 -3.9147 -3.1551 -3.1365 -3.1104 -3.0802 -3.0188 -3.0129 -2.8816 -2.8774 -1.8185 -1.8163 3.6906 3.6958 6.7257 6.7406 7.1419 7.1465 7.1536 7.1648 7.9226 7.9357 8.2329 8.2716 9.2022 9.2359 10.9259 10.9533 13.0472 13.0895 13.4012 13.4663 14.1803 14.2189 14.6144 14.6456 k = 0.1164 0.2016-0.0000 ( 2993 PWs) bands (ev): -43.7801 -43.7801 -21.3704 -21.3651 -19.3376 -19.3349 -19.2246 -19.2143 -3.9393 -3.9363 -3.9221 -3.9164 -3.1632 -3.1490 -3.1124 -3.0859 -3.0176 -3.0122 -2.9120 -2.9062 -1.8315 -1.8295 3.6331 3.6376 6.7681 6.7838 7.1267 7.1298 7.1863 7.1888 7.9964 8.0114 8.2106 8.2470 9.1903 9.2240 11.0028 11.0278 13.0516 13.0930 13.4293 13.4919 14.1661 14.2040 14.5505 14.5817 k = 0.1111 0.1925-0.0000 ( 2993 PWs) bands (ev): -43.7811 -43.7811 -21.3670 -21.3624 -19.3348 -19.3322 -19.2185 -19.2092 -3.9403 -3.9372 -3.9235 -3.9180 -3.1739 -3.1643 -3.1135 -3.0912 -3.0161 -3.0113 -2.9389 -2.9319 -1.8441 -1.8424 3.5775 3.5814 6.8032 6.8188 7.1105 7.1138 7.2256 7.2264 8.0696 8.0863 8.1870 8.2211 9.1774 9.2109 11.0816 11.1043 13.0592 13.0997 13.4589 13.5191 14.1512 14.1884 14.4856 14.5167 k = 0.1058 0.1833-0.0000 ( 2989 PWs) bands (ev): -43.7821 -43.7821 -21.3637 -21.3596 -19.3323 -19.3298 -19.2123 -19.2040 -3.9412 -3.9381 -3.9249 -3.9196 -3.1875 -3.1820 -3.1142 -3.0961 -3.0145 -3.0102 -2.9620 -2.9543 -1.8565 -1.8550 3.5238 3.5271 6.8259 6.8399 7.1100 7.1115 7.2652 7.2655 8.1415 8.1599 8.1624 8.1943 9.1636 9.1969 11.1619 11.1824 13.0700 13.1094 13.4898 13.5475 14.1357 14.1720 14.4203 14.4513 k = 0.1005 0.1741-0.0000 ( 2985 PWs) bands (ev): -43.7830 -43.7830 -21.3605 -21.3570 -19.3299 -19.3276 -19.2062 -19.1988 -3.9421 -3.9390 -3.9264 -3.9214 -3.2041 -3.2018 -3.1147 -3.1004 -3.0128 -3.0090 -2.9813 -2.9735 -1.8686 -1.8672 3.4721 3.4750 6.8325 6.8436 7.1269 7.1285 7.3047 7.3057 8.1369 8.1669 8.2124 8.2319 9.1491 9.1820 11.2431 11.2614 13.0841 13.1222 13.5214 13.5767 14.1198 14.1551 14.3549 14.3857 k = 0.0952 0.1650-0.0000 ( 2977 PWs) bands (ev): -43.7838 -43.7838 -21.3574 -21.3544 -19.3277 -19.3256 -19.2000 -19.1935 -3.9430 -3.9399 -3.9280 -3.9232 -3.2233 -3.2231 -3.1153 -3.1040 -3.0112 -3.0080 -2.9967 -2.9894 -1.8802 -1.8790 3.4227 3.4250 6.8243 6.8325 7.1585 7.1631 7.3448 7.3463 8.1113 8.1393 8.2809 8.3016 9.1340 9.1665 11.3246 11.3410 13.1013 13.1379 13.5535 13.6064 14.1036 14.1378 14.2899 14.3206 k = 0.0899 0.1558-0.0000 ( 2969 PWs) bands (ev): -43.7847 -43.7847 -21.3545 -21.3519 -19.3257 -19.3238 -19.1939 -19.1883 -3.9438 -3.9407 -3.9296 -3.9250 -3.2455 -3.2445 -3.1159 -3.1071 -3.0116 -3.0103 -3.0045 -3.0018 -1.8915 -1.8905 3.3754 3.3774 6.8064 6.8122 7.2011 7.2080 7.3852 7.3872 8.0857 8.1118 8.3472 8.3689 9.1185 9.1505 11.4061 11.4206 13.1215 13.1566 13.5856 13.6361 14.0873 14.1201 14.2259 14.2566 k = 0.0847 0.1466-0.0000 ( 2961 PWs) bands (ev): -43.7855 -43.7855 -21.3517 -21.3496 -19.3239 -19.3222 -19.1879 -19.1831 -3.9446 -3.9416 -3.9312 -3.9269 -3.2685 -3.2668 -3.1167 -3.1099 -3.0209 -3.0157 -3.0055 -3.0038 -1.9024 -1.9015 3.3305 3.3321 6.7832 6.7873 7.2501 7.2585 7.4259 7.4282 8.0604 8.0846 8.4107 8.4332 9.1027 9.1340 11.4870 11.4997 13.1447 13.1781 13.6175 13.6656 14.0708 14.1016 14.1634 14.1944 k = 0.0794 0.1375-0.0000 ( 2957 PWs) bands (ev): -43.7863 -43.7863 -21.3491 -21.3473 -19.3222 -19.3208 -19.1820 -19.1781 -3.9454 -3.9425 -3.9329 -3.9289 -3.2916 -3.2897 -3.1176 -3.1124 -3.0290 -3.0242 -3.0042 -3.0023 -1.9127 -1.9120 3.2880 3.2893 6.7574 6.7605 7.3023 7.3115 7.4666 7.4693 8.0356 8.0580 8.4713 8.4943 9.0867 9.1173 11.5668 11.5778 13.1708 13.2023 13.6488 13.6946 14.0535 14.0809 14.1036 14.1362 k = 0.0741 0.1283-0.0000 ( 2955 PWs) bands (ev): -43.7870 -43.7870 -21.3466 -21.3451 -19.3207 -19.3195 -19.1764 -19.1731 -3.9462 -3.9434 -3.9346 -3.9309 -3.3144 -3.3126 -3.1186 -3.1147 -3.0356 -3.0317 -3.0024 -3.0007 -1.9226 -1.9220 3.2479 3.2490 6.7309 6.7331 7.3558 7.3654 7.5072 7.5101 8.0117 8.0323 8.5285 8.5519 9.0708 9.1005 11.6450 11.6544 13.1994 13.2290 13.6792 13.7226 14.0284 14.0504 14.0540 14.0902 k = 0.0688 0.1191-0.0000 ( 2957 PWs) bands (ev): -43.7878 -43.7878 -21.3443 -21.3431 -19.3193 -19.3183 -19.1710 -19.1683 -3.9470 -3.9443 -3.9363 -3.9329 -3.3366 -3.3349 -3.1198 -3.1168 -3.0410 -3.0378 -3.0006 -2.9992 -1.9320 -1.9315 3.2104 3.2113 6.7045 6.7062 7.4092 7.4189 7.5474 7.5505 7.9887 8.0077 8.5822 8.6057 9.0551 9.0838 11.7211 11.7289 13.2304 13.2579 13.7082 13.7495 13.9802 14.0032 14.0304 14.0638 k = 0.0635 0.1100-0.0000 ( 2955 PWs) bands (ev): -43.7885 -43.7885 -21.3421 -21.3412 -19.3181 -19.3173 -19.1658 -19.1637 -3.9477 -3.9452 -3.9380 -3.9349 -3.3578 -3.3564 -3.1209 -3.1188 -3.0455 -3.0430 -2.9987 -2.9976 -1.9408 -1.9404 3.1755 3.1761 6.6789 6.6802 7.4617 7.4712 7.5869 7.5902 7.9669 7.9843 8.6321 8.6555 9.0397 9.0672 11.7945 11.8010 13.2633 13.2886 13.7353 13.7750 13.9277 13.9519 14.0148 14.0452 k = 0.0582 0.1008-0.0000 ( 2955 PWs) bands (ev): -43.7892 -43.7892 -21.3401 -21.3394 -19.3170 -19.3164 -19.1610 -19.1593 -3.9484 -3.9461 -3.9396 -3.9369 -3.3779 -3.3767 -3.1222 -3.1206 -3.0491 -3.0472 -2.9969 -2.9960 -1.9491 -1.9487 3.1432 3.1437 6.6546 6.6554 7.5125 7.5215 7.6254 7.6288 7.9465 7.9624 8.6782 8.7011 9.0248 9.0509 11.8647 11.8699 13.2979 13.3209 13.7597 13.7985 13.8777 13.9031 14.0008 14.0289 k = 0.0529 0.0916-0.0000 ( 2949 PWs) bands (ev): -43.7897 -43.7897 -21.3383 -21.3377 -19.3160 -19.3155 -19.1565 -19.1552 -3.9490 -3.9469 -3.9412 -3.9387 -3.3966 -3.3957 -3.1234 -3.1223 -3.0520 -3.0506 -2.9952 -2.9945 -1.9567 -1.9564 3.1135 3.1139 6.6317 6.6323 7.5609 7.5693 7.6626 7.6661 7.9277 7.9421 8.7202 8.7422 9.0107 9.0352 11.9312 11.9353 13.3334 13.3541 13.7781 13.8154 13.8357 13.8615 13.9881 14.0138 k = 0.0476 0.0825-0.0000 ( 2939 PWs) bands (ev): -43.7902 -43.7902 -21.3366 -21.3362 -19.3151 -19.3148 -19.1523 -19.1514 -3.9495 -3.9477 -3.9426 -3.9405 -3.4139 -3.4132 -3.1246 -3.1238 -3.0544 -3.0534 -2.9934 -2.9929 -1.9637 -1.9635 3.0866 3.0869 6.6105 6.6110 7.6064 7.6139 7.6980 7.7017 7.9107 7.9236 8.7581 8.7789 8.9976 9.0202 11.9935 11.9966 13.3695 13.3877 13.7771 13.7839 13.8407 13.8440 13.9764 13.9998 k = 0.0423 0.0733-0.0000 ( 2939 PWs) bands (ev): -43.7907 -43.7907 -21.3351 -21.3348 -19.3144 -19.3142 -19.1485 -19.1478 -3.9500 -3.9485 -3.9439 -3.9422 -3.4296 -3.4291 -3.1258 -3.1253 -3.0564 -3.0557 -2.9919 -2.9916 -1.9700 -1.9699 3.0625 3.0627 6.5912 6.5915 7.6483 7.6550 7.7312 7.7349 7.8956 7.9071 8.7916 8.8108 8.9858 9.0062 12.0509 12.0532 13.4051 13.4210 13.7450 13.7501 13.8479 13.8616 13.9659 13.9868 k = 0.0370 0.0642-0.0000 ( 2939 PWs) bands (ev): -43.7911 -43.7911 -21.3338 -21.3336 -19.3138 -19.3136 -19.1451 -19.1447 -3.9505 -3.9492 -3.9452 -3.9438 -3.4436 -3.4433 -3.1269 -3.1266 -3.0580 -3.0576 -2.9906 -2.9903 -1.9756 -1.9755 3.0411 3.0412 6.5740 6.5742 7.6863 7.6920 7.7614 7.7650 7.8830 7.8931 8.8208 8.8377 8.9756 8.9934 12.1031 12.1047 13.4397 13.4530 13.7101 13.7175 13.8628 13.8776 13.9566 13.9749 k = 0.0317 0.0550-0.0000 ( 2937 PWs) bands (ev): -43.7915 -43.7915 -21.3326 -21.3325 -19.3132 -19.3131 -19.1421 -19.1418 -3.9509 -3.9498 -3.9464 -3.9452 -3.4559 -3.4557 -3.1279 -3.1277 -3.0593 -3.0590 -2.9894 -2.9892 -1.9806 -1.9805 3.0225 3.0226 6.5588 6.5589 7.7200 7.7247 7.7877 7.7911 7.8736 7.8821 8.8453 8.8595 8.9677 8.9824 12.1495 12.1506 13.4720 13.4829 13.6799 13.6872 13.8779 13.8914 13.9487 13.9642 k = 0.0265 0.0458-0.0000 ( 2937 PWs) bands (ev): -43.7918 -43.7918 -21.3317 -21.3316 -19.3128 -19.3127 -19.1396 -19.1394 -3.9512 -3.9504 -3.9474 -3.9466 -3.4663 -3.4662 -3.1288 -3.1287 -3.0604 -3.0602 -2.9883 -2.9882 -1.9848 -1.9847 3.0067 3.0067 6.5458 6.5459 7.7489 7.7526 7.8084 7.8109 7.8689 7.8754 8.8650 8.8757 8.9625 8.9735 12.1897 12.1903 13.5009 13.5093 13.6551 13.6613 13.8914 13.9028 13.9423 13.9549 k = 0.0212 0.0367-0.0000 ( 2943 PWs) bands (ev): -43.7922 -43.7922 -21.3309 -21.3309 -19.3124 -19.3124 -19.1375 -19.1374 -3.9514 -3.9509 -3.9483 -3.9478 -3.4750 -3.4749 -3.1296 -3.1295 -3.0613 -3.0612 -2.9875 -2.9874 -1.9882 -1.9882 2.9938 2.9938 6.5351 6.5352 7.7727 7.7754 7.8212 7.8220 7.8714 7.8750 8.8795 8.8863 8.9604 8.9674 12.2231 12.2235 13.5249 13.5307 13.6363 13.6410 13.9028 13.9115 13.9376 13.9470 k = 0.0159 0.0275-0.0000 ( 2945 PWs) bands (ev): -43.7924 -43.7924 -21.3303 -21.3303 -19.3122 -19.3122 -19.1359 -19.1358 -3.9516 -3.9513 -3.9490 -3.9487 -3.4817 -3.4817 -3.1302 -3.1302 -3.0619 -3.0619 -2.9868 -2.9868 -1.9910 -1.9910 2.9837 2.9837 6.5267 6.5268 7.7909 7.7927 7.8256 7.8260 7.8794 7.8808 8.8888 8.8922 8.9608 8.9642 12.2496 12.2497 13.5423 13.5455 13.6247 13.6274 13.9116 13.9172 13.9350 13.9409 k = 0.0106 0.0183-0.0000 ( 2953 PWs) bands (ev): -43.7926 -43.7926 -21.3299 -21.3299 -19.3120 -19.3120 -19.1347 -19.1347 -3.9517 -3.9517 -3.9496 -3.9495 -3.4865 -3.4865 -3.1308 -3.1308 -3.0624 -3.0624 -2.9863 -2.9863 -1.9929 -1.9929 2.9765 2.9765 6.5207 6.5207 7.8031 7.8039 7.8268 7.8273 7.8881 7.8884 8.8937 8.8948 8.9625 8.9635 12.2686 12.2687 13.5519 13.5531 13.6200 13.6210 13.9176 13.9198 13.9346 13.9370 k = 0.0053 0.0092-0.0000 ( 2957 PWs) bands (ev): -43.7928 -43.7928 -21.3296 -21.3296 -19.3119 -19.3119 -19.1340 -19.1340 -3.9518 -3.9518 -3.9500 -3.9500 -3.4895 -3.4895 -3.1310 -3.1310 -3.0627 -3.0627 -2.9861 -2.9861 -1.9941 -1.9941 2.9722 2.9722 6.5171 6.5171 7.8091 7.8092 7.8284 7.8285 7.8940 7.8940 8.8957 8.8958 8.9639 8.9641 12.2802 12.2802 13.5553 13.5554 13.6196 13.6198 13.9203 13.9207 13.9351 13.9354 k = 0.0000 0.0000 0.0000 ( 2957 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9518 -3.9518 -3.9501 -3.9501 -3.4904 -3.4904 -3.1311 -3.1311 -3.0628 -3.0628 -2.9860 -2.9860 -1.9945 -1.9945 2.9707 2.9707 6.5159 6.5159 7.8106 7.8106 7.8292 7.8292 7.8961 7.8961 8.8961 8.8961 8.9645 8.9645 12.2840 12.2840 13.5558 13.5558 13.6200 13.6200 13.9209 13.9209 13.9353 13.9353 k = 0.0000 0.0000 0.0000 ( 2957 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9518 -3.9518 -3.9501 -3.9501 -3.4904 -3.4904 -3.1311 -3.1311 -3.0628 -3.0628 -2.9860 -2.9860 -1.9945 -1.9945 2.9707 2.9707 6.5159 6.5159 7.8106 7.8106 7.8292 7.8292 7.8961 7.8961 8.8961 8.8961 8.9645 8.9645 12.2840 12.2840 13.5558 13.5558 13.6200 13.6200 13.9209 13.9209 13.9353 13.9353 k = 0.0000 0.0000 0.0102 ( 2956 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9518 -3.9518 -3.9500 -3.9500 -3.4902 -3.4902 -3.1311 -3.1311 -3.0630 -3.0630 -2.9860 -2.9860 -1.9949 -1.9949 2.9739 2.9739 6.4969 6.4969 7.8159 7.8159 7.8292 7.8293 7.9114 7.9114 8.8961 8.8961 8.9644 8.9644 12.2805 12.2805 13.5558 13.5558 13.6198 13.6201 13.9210 13.9211 13.9355 13.9355 k = 0.0000 0.0000 0.0205 ( 2938 PWs) bands (ev): -43.7926 -43.7926 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9495 -3.9495 -3.4897 -3.4897 -3.1310 -3.1310 -3.0634 -3.0634 -2.9858 -2.9858 -1.9962 -1.9962 2.9833 2.9833 6.4432 6.4432 7.8243 7.8243 7.8293 7.8293 7.9618 7.9618 8.8960 8.8960 8.9643 8.9644 12.2699 12.2699 13.5558 13.5558 13.6197 13.6202 13.9215 13.9218 13.9361 13.9361 k = 0.0000 0.0000 0.0307 ( 2938 PWs) bands (ev): -43.7926 -43.7926 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9489 -3.9489 -3.4887 -3.4887 -3.1310 -3.1310 -3.0644 -3.0644 -2.9858 -2.9858 -1.9984 -1.9984 2.9990 2.9990 6.3622 6.3622 7.8292 7.8292 7.8293 7.8294 8.0461 8.0461 8.8958 8.8958 8.9640 8.9642 12.2520 12.2520 13.5557 13.5557 13.6195 13.6203 13.9224 13.9228 13.9372 13.9372 k = 0.0000 0.0000 0.0409 ( 2944 PWs) bands (ev): -43.7927 -43.7927 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9482 -3.9482 -3.4875 -3.4875 -3.1311 -3.1311 -3.0658 -3.0658 -2.9859 -2.9859 -2.0013 -2.0013 3.0208 3.0208 6.2620 6.2620 7.8293 7.8294 7.8318 7.8318 8.1554 8.1554 8.8956 8.8956 8.9638 8.9640 12.2267 12.2267 13.5556 13.5556 13.6193 13.6203 13.9236 13.9241 13.9386 13.9386 k = 0.0000 0.0000 0.0512 ( 2944 PWs) bands (ev): -43.7927 -43.7927 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9473 -3.9473 -3.4859 -3.4859 -3.1311 -3.1311 -3.0675 -3.0675 -2.9859 -2.9859 -2.0049 -2.0049 3.0487 3.0487 6.1492 6.1492 7.8294 7.8295 7.8332 7.8332 8.2817 8.2817 8.8953 8.8953 8.9634 8.9637 12.1938 12.1938 13.5555 13.5555 13.6191 13.6204 13.9251 13.9258 13.9403 13.9403 k = 0.0000 0.0000 0.0614 ( 2932 PWs) bands (ev): -43.7925 -43.7925 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9516 -3.9516 -3.9461 -3.9461 -3.4840 -3.4840 -3.1309 -3.1309 -3.0694 -3.0694 -2.9858 -2.9858 -2.0091 -2.0091 3.0825 3.0825 6.0285 6.0285 7.8295 7.8296 7.8340 7.8340 8.4196 8.4196 8.8950 8.8950 8.9631 8.9634 12.1532 12.1532 13.5553 13.5553 13.6189 13.6203 13.9270 13.9277 13.9424 13.9424 k = 0.0000 0.0000 0.0716 ( 2932 PWs) bands (ev): -43.7925 -43.7925 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9516 -3.9516 -3.9449 -3.9449 -3.4819 -3.4819 -3.1309 -3.1309 -3.0717 -3.0717 -2.9858 -2.9858 -2.0138 -2.0138 3.1219 3.1219 5.9032 5.9032 7.8296 7.8297 7.8346 7.8346 8.5657 8.5657 8.8947 8.8947 8.9626 8.9630 12.1045 12.1045 13.5551 13.5551 13.6188 13.6203 13.9290 13.9298 13.9447 13.9447 k = 0.0000 0.0000 0.0819 ( 2932 PWs) bands (ev): -43.7925 -43.7925 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9516 -3.9516 -3.9435 -3.9435 -3.4795 -3.4795 -3.1309 -3.1309 -3.0743 -3.0743 -2.9858 -2.9858 -2.0189 -2.0189 3.1668 3.1668 5.7755 5.7755 7.8296 7.8298 7.8350 7.8350 8.7172 8.7172 8.8945 8.8945 8.9622 8.9626 12.0477 12.0477 13.5549 13.5549 13.6186 13.6202 13.9313 13.9321 13.9472 13.9472 k = 0.0000 0.0000 0.0921 ( 2932 PWs) bands (ev): -43.7925 -43.7925 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9516 -3.9516 -3.9421 -3.9421 -3.4769 -3.4769 -3.1309 -3.1309 -3.0771 -3.0771 -2.9858 -2.9858 -2.0242 -2.0242 3.2168 3.2168 5.6471 5.6471 7.8297 7.8299 7.8353 7.8353 8.8691 8.8691 8.8978 8.8978 8.9617 8.9621 11.9825 11.9825 13.5547 13.5547 13.6184 13.6201 13.9337 13.9345 13.9498 13.9498 k = 0.0000 0.0000 0.1023 ( 2938 PWs) bands (ev): -43.7926 -43.7926 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9516 -3.9516 -3.9408 -3.9408 -3.4742 -3.4742 -3.1309 -3.1309 -3.0800 -3.0800 -2.9858 -2.9858 -2.0297 -2.0297 3.2716 3.2716 5.5193 5.5193 7.8299 7.8301 7.8356 7.8356 8.8922 8.8922 8.9612 8.9617 9.0324 9.0324 11.9089 11.9089 13.5545 13.5545 13.6183 13.6199 13.9361 13.9370 13.9525 13.9525 k = 0.0000 0.0000 0.1126 ( 2956 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9517 -3.9517 -3.9396 -3.9396 -3.4714 -3.4714 -3.1310 -3.1310 -3.0832 -3.0832 -2.9860 -2.9860 -2.0351 -2.0351 3.3309 3.3309 5.3931 5.3931 7.8300 7.8302 7.8358 7.8358 8.8921 8.8921 8.9607 8.9612 9.1917 9.1917 11.8271 11.8271 13.5542 13.5542 13.6181 13.6198 13.9386 13.9394 13.9552 13.9552 k = 0.0000 0.0000 0.1228 ( 2944 PWs) bands (ev): -43.7927 -43.7927 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9379 -3.9379 -3.4686 -3.4686 -3.1310 -3.1310 -3.0859 -3.0859 -2.9860 -2.9860 -2.0404 -2.0404 3.3939 3.3939 5.2696 5.2696 7.8301 7.8303 7.8360 7.8360 8.8918 8.8918 8.9603 8.9607 9.3518 9.3518 11.7375 11.7375 13.5540 13.5540 13.6180 13.6196 13.9410 13.9418 13.9578 13.9578 k = 0.0000 0.0000 0.1330 ( 2944 PWs) bands (ev): -43.7927 -43.7927 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9366 -3.9366 -3.4659 -3.4659 -3.1310 -3.1310 -3.0888 -3.0888 -2.9860 -2.9860 -2.0454 -2.0454 3.4602 3.4602 5.1495 5.1495 7.8302 7.8303 7.8362 7.8362 8.8914 8.8914 8.9598 8.9602 9.5113 9.5113 11.6404 11.6404 13.5538 13.5538 13.6180 13.6194 13.9433 13.9440 13.9603 13.9603 k = 0.0000 0.0000 0.1433 ( 2944 PWs) bands (ev): -43.7927 -43.7927 -21.3295 -21.3295 -19.3118 -19.3118 -19.1338 -19.1338 -3.9517 -3.9517 -3.9354 -3.9354 -3.4634 -3.4634 -3.1310 -3.1310 -3.0915 -3.0915 -2.9860 -2.9860 -2.0499 -2.0499 3.5285 3.5285 5.0343 5.0343 7.8303 7.8304 7.8363 7.8363 8.8910 8.8910 8.9595 8.9598 9.6693 9.6693 11.5367 11.5367 13.5536 13.5536 13.6179 13.6192 13.9454 13.9461 13.9627 13.9627 k = 0.0000 0.0000 0.1535 ( 2956 PWs) bands (ev): -43.7928 -43.7928 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9518 -3.9518 -3.9344 -3.9344 -3.4610 -3.4610 -3.1310 -3.1310 -3.0941 -3.0941 -2.9861 -2.9861 -2.0540 -2.0540 3.5976 3.5976 4.9254 4.9254 7.8304 7.8305 7.8364 7.8364 8.8907 8.8907 8.9591 8.9594 9.8241 9.8241 11.4277 11.4277 13.5534 13.5534 13.6179 13.6190 13.9474 13.9479 13.9647 13.9647 k = 0.0000 0.0000 0.1637 ( 2968 PWs) bands (ev): -43.7929 -43.7929 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9519 -3.9519 -3.9335 -3.9335 -3.4590 -3.4590 -3.1312 -3.1312 -3.0964 -3.0964 -2.9862 -2.9862 -2.0575 -2.0575 3.6652 3.6652 4.8251 4.8251 7.8304 7.8305 7.8365 7.8365 8.8904 8.8904 8.9588 8.9591 9.9737 9.9737 11.3156 11.3156 13.5532 13.5532 13.6179 13.6188 13.9490 13.9494 13.9665 13.9665 k = 0.0000 0.0000 0.1740 ( 2968 PWs) bands (ev): -43.7929 -43.7929 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9519 -3.9519 -3.9328 -3.9328 -3.4573 -3.4573 -3.1312 -3.1312 -3.0981 -3.0981 -2.9862 -2.9862 -2.0603 -2.0603 3.7282 3.7282 4.7366 4.7366 7.8305 7.8306 7.8366 7.8366 8.8901 8.8901 8.9586 8.9588 10.1143 10.1143 11.2040 11.2040 13.5531 13.5531 13.6179 13.6187 13.9503 13.9507 13.9679 13.9679 k = 0.0000 0.0000 0.1842 ( 2968 PWs) bands (ev): -43.7929 -43.7929 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9519 -3.9519 -3.9323 -3.9323 -3.4561 -3.4561 -3.1312 -3.1312 -3.0995 -3.0995 -2.9862 -2.9862 -2.0623 -2.0623 3.7815 3.7815 4.6651 4.6651 7.8306 7.8306 7.8367 7.8367 8.8900 8.8900 8.9584 8.9586 10.2389 10.2389 11.1000 11.1000 13.5530 13.5530 13.6180 13.6185 13.9513 13.9516 13.9690 13.9690 k = 0.0000 0.0000 0.1944 ( 2968 PWs) bands (ev): -43.7929 -43.7929 -21.3295 -21.3295 -19.3119 -19.3119 -19.1338 -19.1338 -3.9519 -3.9519 -3.9319 -3.9319 -3.4553 -3.4553 -3.1312 -3.1312 -3.1003 -3.1003 -2.9862 -2.9862 -2.0636 -2.0636 3.8184 3.8184 4.6173 4.6173 7.8306 7.8306 7.8367 7.8367 8.8899 8.8899 8.9584 8.9584 10.3325 10.3325 11.0188 11.0188 13.5530 13.5530 13.6181 13.6183 13.9520 13.9521 13.9696 13.9696 k = 0.0000 0.0000 0.2047 ( 2974 PWs) bands (ev): -43.7930 -43.7930 -21.3296 -21.3296 -19.3119 -19.3119 -19.1338 -19.1338 -3.9520 -3.9520 -3.9318 -3.9318 -3.4551 -3.4551 -3.1313 -3.1313 -3.1006 -3.1006 -2.9862 -2.9862 -2.0640 -2.0640 3.8318 3.8318 4.6003 4.6003 7.8306 7.8306 7.8367 7.8367 8.8898 8.8898 8.9583 8.9583 10.3693 10.3693 10.9861 10.9861 13.5530 13.5530 13.6182 13.6182 13.9522 13.9522 13.9698 13.9698 k = 0.0000 0.0000 0.2047 ( 2974 PWs) bands (ev): -43.7930 -43.7930 -21.3296 -21.3296 -19.3119 -19.3119 -19.1338 -19.1338 -3.9520 -3.9520 -3.9318 -3.9318 -3.4551 -3.4551 -3.1313 -3.1313 -3.1006 -3.1006 -2.9862 -2.9862 -2.0640 -2.0640 3.8318 3.8318 4.6003 4.6003 7.8306 7.8306 7.8367 7.8367 8.8898 8.8898 8.9583 8.9583 10.3693 10.3693 10.9861 10.9861 13.5530 13.5530 13.6182 13.6182 13.9522 13.9522 13.9698 13.9698 k = 0.0091 0.0052 0.2047 ( 2962 PWs) bands (ev): -43.7928 -43.7928 -21.3296 -21.3296 -19.3119 -19.3119 -19.1340 -19.1340 -3.9518 -3.9518 -3.9317 -3.9317 -3.4540 -3.4540 -3.1310 -3.1310 -3.1004 -3.1004 -2.9862 -2.9862 -2.0636 -2.0636 3.8328 3.8328 4.6015 4.6015 7.8291 7.8291 7.8364 7.8364 8.8874 8.8874 8.9558 8.9558 10.3700 10.3700 10.9869 10.9869 13.5540 13.5540 13.6190 13.6190 13.9361 13.9361 13.9632 13.9632 k = 0.0182 0.0105 0.2047 ( 2962 PWs) bands (ev): -43.7927 -43.7927 -21.3299 -21.3299 -19.3120 -19.3120 -19.1347 -19.1347 -3.9516 -3.9516 -3.9317 -3.9317 -3.4509 -3.4509 -3.1307 -3.1307 -3.1002 -3.1002 -2.9863 -2.9863 -2.0625 -2.0625 3.8359 3.8359 4.6053 4.6053 7.8217 7.8217 7.8385 7.8385 8.8800 8.8800 8.9483 8.9483 10.3718 10.3718 10.9891 10.9891 13.5566 13.5566 13.6218 13.6218 13.8825 13.8825 13.9578 13.9578 k = 0.0273 0.0157 0.2047 ( 2960 PWs) bands (ev): -43.7926 -43.7926 -21.3303 -21.3303 -19.3122 -19.3122 -19.1358 -19.1358 -3.9513 -3.9513 -3.9315 -3.9315 -3.4458 -3.4458 -3.1303 -3.1303 -3.0998 -3.0998 -2.9864 -2.9864 -2.0606 -2.0606 3.8412 3.8412 4.6116 4.6116 7.8079 7.8079 7.8433 7.8433 8.8677 8.8677 8.9362 8.9362 10.3746 10.3746 10.9928 10.9928 13.5598 13.5598 13.6274 13.6274 13.8085 13.8085 13.9521 13.9521 k = 0.0364 0.0210 0.2047 ( 2956 PWs) bands (ev): -43.7923 -43.7923 -21.3309 -21.3309 -19.3124 -19.3124 -19.1374 -19.1374 -3.9510 -3.9510 -3.9312 -3.9312 -3.4386 -3.4386 -3.1297 -3.1297 -3.0993 -3.0993 -2.9865 -2.9865 -2.0580 -2.0580 3.8485 3.8485 4.6203 4.6203 7.7886 7.7886 7.8504 7.8504 8.8503 8.8503 8.9198 8.9198 10.3781 10.3781 10.9978 10.9978 13.5621 13.5621 13.6345 13.6345 13.7275 13.7275 13.9447 13.9447 k = 0.0455 0.0262 0.2047 ( 2958 PWs) bands (ev): -43.7921 -43.7921 -21.3316 -21.3316 -19.3128 -19.3128 -19.1394 -19.1394 -3.9506 -3.9506 -3.9310 -3.9310 -3.4294 -3.4294 -3.1290 -3.1290 -3.0986 -3.0986 -2.9866 -2.9866 -2.0547 -2.0547 3.8579 3.8579 4.6315 4.6315 7.7640 7.7640 7.8596 7.8596 8.8278 8.8278 8.8997 8.8997 10.3819 10.3819 11.0041 11.0041 13.5615 13.5615 13.6136 13.6136 13.6762 13.6762 13.9355 13.9355 k = 0.0545 0.0315 0.2047 ( 2954 PWs) bands (ev): -43.7917 -43.7917 -21.3326 -21.3326 -19.3132 -19.3132 -19.1419 -19.1419 -3.9500 -3.9500 -3.9306 -3.9306 -3.4183 -3.4183 -3.1281 -3.1281 -3.0977 -3.0977 -2.9868 -2.9868 -2.0506 -2.0506 3.8694 3.8694 4.6451 4.6451 7.7344 7.7344 7.8708 7.8708 8.8002 8.8002 8.8764 8.8764 10.3854 10.3854 11.0115 11.0115 13.5206 13.5206 13.5708 13.5708 13.6887 13.6887 13.9247 13.9247 k = 0.0636 0.0367 0.2047 ( 2950 PWs) bands (ev): -43.7913 -43.7913 -21.3336 -21.3336 -19.3137 -19.3137 -19.1447 -19.1447 -3.9494 -3.9494 -3.9301 -3.9301 -3.4054 -3.4054 -3.1271 -3.1271 -3.0965 -3.0965 -2.9869 -2.9869 -2.0459 -2.0459 3.8830 3.8830 4.6610 4.6610 7.7002 7.7002 7.8839 7.8839 8.7678 8.7678 8.8503 8.8503 10.3881 10.3881 11.0199 11.0199 13.4287 13.4287 13.5688 13.5688 13.7147 13.7147 13.9123 13.9123 k = 0.0727 0.0420 0.2047 ( 2958 PWs) bands (ev): -43.7909 -43.7909 -21.3349 -21.3349 -19.3143 -19.3143 -19.1479 -19.1479 -3.9488 -3.9488 -3.9297 -3.9297 -3.3906 -3.3906 -3.1261 -3.1261 -3.0951 -3.0951 -2.9870 -2.9870 -2.0404 -2.0404 3.8987 3.8987 4.6791 4.6791 7.6617 7.6617 7.8990 7.8990 8.7309 8.7309 8.8217 8.8217 10.3897 10.3897 11.0289 11.0289 13.3324 13.3324 13.5701 13.5701 13.7463 13.7463 13.8988 13.8988 k = 0.0818 0.0472 0.2047 ( 2966 PWs) bands (ev): -43.7905 -43.7905 -21.3363 -21.3363 -19.3150 -19.3150 -19.1516 -19.1516 -3.9482 -3.9482 -3.9291 -3.9291 -3.3741 -3.3741 -3.1250 -3.1250 -3.0935 -3.0935 -2.9871 -2.9871 -2.0343 -2.0343 3.9165 3.9165 4.6995 4.6995 7.6192 7.6192 7.9159 7.9159 8.6899 8.6899 8.7909 8.7909 10.3895 10.3895 11.0383 11.0383 13.2355 13.2355 13.5733 13.5733 13.7814 13.7814 13.8848 13.8848 k = 0.0909 0.0525 0.2047 ( 2960 PWs) bands (ev): -43.7899 -43.7899 -21.3379 -21.3379 -19.3157 -19.3157 -19.1555 -19.1555 -3.9475 -3.9475 -3.9284 -3.9284 -3.3561 -3.3561 -3.1237 -3.1237 -3.0914 -3.0914 -2.9868 -2.9868 -2.0275 -2.0275 3.9364 3.9364 4.7219 4.7219 7.5732 7.5732 7.9346 7.9346 8.6453 8.6453 8.7579 8.7579 10.3872 10.3872 11.0478 11.0478 13.1393 13.1393 13.5791 13.5791 13.8163 13.8163 13.8738 13.8738 k = 0.1000 0.0577 0.2047 ( 2964 PWs) bands (ev): -43.7893 -43.7893 -21.3396 -21.3396 -19.3166 -19.3166 -19.1597 -19.1597 -3.9468 -3.9468 -3.9277 -3.9277 -3.3366 -3.3366 -3.1225 -3.1225 -3.0890 -3.0890 -2.9865 -2.9865 -2.0200 -2.0200 3.9584 3.9584 4.7462 4.7462 7.5240 7.5240 7.9551 7.9551 8.5975 8.5975 8.7230 8.7230 10.3825 10.3825 11.0568 11.0568 13.0448 13.0448 13.5877 13.5877 13.8317 13.8317 13.8846 13.8846 k = 0.1091 0.0630 0.2047 ( 2966 PWs) bands (ev): -43.7887 -43.7887 -21.3415 -21.3415 -19.3176 -19.3176 -19.1643 -19.1643 -3.9460 -3.9460 -3.9269 -3.9269 -3.3160 -3.3160 -3.1211 -3.1211 -3.0861 -3.0861 -2.9858 -2.9858 -2.0119 -2.0119 3.9825 3.9825 4.7724 4.7724 7.4721 7.4721 7.9773 7.9773 8.5471 8.5471 8.6863 8.6863 10.3751 10.3751 11.0649 11.0649 12.9529 12.9529 13.5996 13.5996 13.8208 13.8208 13.9239 13.9239 k = 0.1182 0.0682 0.2047 ( 2966 PWs) bands (ev): -43.7880 -43.7880 -21.3435 -21.3435 -19.3188 -19.3188 -19.1690 -19.1690 -3.9452 -3.9452 -3.9260 -3.9260 -3.2943 -3.2943 -3.1197 -3.1197 -3.0826 -3.0826 -2.9847 -2.9847 -2.0033 -2.0033 4.0087 4.0087 4.8002 4.8002 7.4179 7.4179 8.0011 8.0011 8.4943 8.4943 8.6480 8.6480 10.3648 10.3648 11.0715 11.0715 12.8646 12.8646 13.6151 13.6151 13.8038 13.8038 13.9713 13.9713 k = 0.1273 0.0735 0.2047 ( 2962 PWs) bands (ev): -43.7872 -43.7872 -21.3456 -21.3456 -19.3201 -19.3201 -19.1740 -19.1740 -3.9445 -3.9445 -3.9250 -3.9250 -3.2721 -3.2721 -3.1183 -3.1183 -3.0784 -3.0784 -2.9829 -2.9829 -1.9940 -1.9940 4.0371 4.0371 4.8296 4.8296 7.3618 7.3618 8.0265 8.0265 8.4396 8.4396 8.6083 8.6083 10.3516 10.3516 11.0757 11.0757 12.7809 12.7809 13.6343 13.6343 13.7855 13.7855 14.0219 14.0219 k = 0.1364 0.0787 0.2047 ( 2966 PWs) bands (ev): -43.7865 -43.7865 -21.3479 -21.3479 -19.3215 -19.3215 -19.1792 -19.1792 -3.9438 -3.9438 -3.9240 -3.9240 -3.2497 -3.2497 -3.1169 -3.1169 -3.0735 -3.0735 -2.9803 -2.9803 -1.9842 -1.9842 4.0675 4.0675 4.8603 4.8603 7.3042 7.3042 8.0532 8.0532 8.3832 8.3832 8.5673 8.5673 10.3355 10.3355 11.0768 11.0768 12.7029 12.7029 13.6569 13.6569 13.7670 13.7670 14.0746 14.0746 k = 0.1455 0.0840 0.2047 ( 2962 PWs) bands (ev): -43.7856 -43.7856 -21.3503 -21.3503 -19.3231 -19.3231 -19.1845 -19.1845 -3.9431 -3.9431 -3.9229 -3.9229 -3.2276 -3.2276 -3.1154 -3.1154 -3.0677 -3.0677 -2.9763 -2.9763 -1.9738 -1.9738 4.1001 4.1001 4.8921 4.8921 7.2455 7.2455 8.0812 8.0812 8.3256 8.3256 8.5254 8.5254 10.3165 10.3165 11.0739 11.0739 12.6320 12.6320 13.6818 13.6818 13.7500 13.7500 14.1288 14.1288 k = 0.1545 0.0892 0.2047 ( 2964 PWs) bands (ev): -43.7847 -43.7847 -21.3529 -21.3529 -19.3249 -19.3249 -19.1898 -19.1898 -3.9424 -3.9424 -3.9217 -3.9217 -3.2067 -3.2067 -3.1139 -3.1139 -3.0610 -3.0610 -2.9704 -2.9704 -1.9629 -1.9629 4.1347 4.1347 4.9249 4.9249 7.1862 7.1862 8.1104 8.1104 8.2670 8.2670 8.4826 8.4826 10.2949 10.2949 11.0661 11.0661 12.5691 12.5691 13.7014 13.7014 13.7422 13.7422 14.1841 14.1841 k = 0.1636 0.0945 0.2047 ( 2964 PWs) bands (ev): -43.7838 -43.7838 -21.3555 -21.3555 -19.3270 -19.3270 -19.1952 -19.1952 -3.9419 -3.9419 -3.9205 -3.9205 -3.1876 -3.1876 -3.1124 -3.1124 -3.0537 -3.0537 -2.9617 -2.9617 -1.9516 -1.9516 4.1714 4.1714 4.9582 4.9582 7.1266 7.1266 8.1399 8.1399 8.2084 8.2084 8.4391 8.4391 10.2708 10.2708 11.0526 11.0526 12.5154 12.5154 13.6971 13.6971 13.7623 13.7623 14.2400 14.2400 k = 0.1727 0.0997 0.2047 ( 2960 PWs) bands (ev): -43.7829 -43.7829 -21.3583 -21.3583 -19.3292 -19.3292 -19.2006 -19.2006 -3.9413 -3.9413 -3.9192 -3.9192 -3.1708 -3.1708 -3.1109 -3.1109 -3.0460 -3.0460 -2.9493 -2.9493 -1.9399 -1.9399 4.2102 4.2102 4.9919 4.9919 7.0671 7.0671 8.1422 8.1422 8.1774 8.1774 8.3953 8.3953 10.2443 10.2443 11.0326 11.0326 12.4719 12.4719 13.6816 13.6816 13.7974 13.7974 14.2962 14.2962 k = 0.1818 0.1050 0.2047 ( 2964 PWs) bands (ev): -43.7820 -43.7820 -21.3612 -21.3612 -19.3317 -19.3317 -19.2059 -19.2059 -3.9409 -3.9409 -3.9179 -3.9179 -3.1568 -3.1568 -3.1095 -3.1095 -3.0387 -3.0387 -2.9323 -2.9323 -1.9277 -1.9277 4.2510 4.2510 5.0257 5.0257 7.0082 7.0082 8.0845 8.0845 8.2067 8.2067 8.3512 8.3512 10.2159 10.2159 11.0060 11.0060 12.4391 12.4391 13.6647 13.6647 13.8376 13.8376 14.3523 14.3523 k = 0.1909 0.1102 0.2047 ( 2966 PWs) bands (ev): -43.7810 -43.7810 -21.3642 -21.3642 -19.3345 -19.3345 -19.2111 -19.2111 -3.9406 -3.9406 -3.9166 -3.9166 -3.1455 -3.1455 -3.1081 -3.1081 -3.0322 -3.0322 -2.9105 -2.9105 -1.9152 -1.9152 4.2937 4.2937 5.0592 5.0592 6.9502 6.9502 8.0242 8.0242 8.2388 8.2388 8.3078 8.3078 10.1857 10.1857 10.9728 10.9728 12.4172 12.4172 13.6481 13.6481 13.8809 13.8809 14.4079 14.4079 k = 0.2000 0.1155 0.2047 ( 2962 PWs) bands (ev): -43.7799 -43.7799 -21.3672 -21.3672 -19.3376 -19.3376 -19.2162 -19.2162 -3.9402 -3.9402 -3.9152 -3.9152 -3.1364 -3.1364 -3.1067 -3.1067 -3.0264 -3.0264 -2.8842 -2.8842 -1.9024 -1.9024 4.3384 4.3384 5.0920 5.0920 6.8935 6.8935 7.9637 7.9637 8.2551 8.2551 8.2810 8.2810 10.1541 10.1541 10.9334 10.9334 12.4061 12.4061 13.6322 13.6322 13.9262 13.9262 14.4627 14.4627 k = 0.2091 0.1207 0.2047 ( 2966 PWs) bands (ev): -43.7790 -43.7790 -21.3704 -21.3704 -19.3409 -19.3409 -19.2210 -19.2210 -3.9400 -3.9400 -3.9139 -3.9139 -3.1292 -3.1292 -3.1055 -3.1055 -3.0215 -3.0215 -2.8539 -2.8539 -1.8892 -1.8892 4.3851 4.3851 5.1238 5.1238 6.8385 6.8385 7.9035 7.9035 8.2158 8.2158 8.3106 8.3106 10.1212 10.1212 10.8885 10.8885 12.4051 12.4051 13.6175 13.6175 13.9726 13.9726 14.5165 14.5165 k = 0.2182 0.1260 0.2047 ( 2966 PWs) bands (ev): -43.7779 -43.7779 -21.3736 -21.3736 -19.3446 -19.3446 -19.2256 -19.2256 -3.9399 -3.9399 -3.9126 -3.9126 -3.1234 -3.1234 -3.1044 -3.1044 -3.0170 -3.0170 -2.8206 -2.8206 -1.8759 -1.8759 4.4335 4.4335 5.1540 5.1540 6.7857 6.7857 7.8438 7.8438 8.1724 8.1724 8.3452 8.3452 10.0873 10.0873 10.8394 10.8394 12.4135 12.4135 13.6040 13.6040 14.0189 14.0189 14.5688 14.5688 k = 0.2273 0.1312 0.2047 ( 2972 PWs) bands (ev): -43.7769 -43.7769 -21.3769 -21.3769 -19.3486 -19.3486 -19.2300 -19.2300 -3.9398 -3.9398 -3.9114 -3.9114 -3.1186 -3.1186 -3.1035 -3.1035 -3.0129 -3.0129 -2.7849 -2.7849 -1.8623 -1.8623 4.4837 4.4837 5.1824 5.1824 6.7353 6.7353 7.7849 7.7849 8.1290 8.1290 8.3805 8.3805 10.0525 10.0525 10.7872 10.7872 12.4304 12.4304 13.5920 13.5920 14.0635 14.0635 14.6194 14.6194 k = 0.2364 0.1365 0.2047 ( 2976 PWs) bands (ev): -43.7759 -43.7759 -21.3802 -21.3802 -19.3530 -19.3530 -19.2340 -19.2340 -3.9398 -3.9398 -3.9102 -3.9102 -3.1147 -3.1147 -3.1027 -3.1027 -3.0089 -3.0089 -2.7472 -2.7472 -1.8485 -1.8485 4.5355 4.5355 5.2083 5.2083 6.6878 6.6878 7.7270 7.7270 8.0861 8.0861 8.4161 8.4161 10.0172 10.0172 10.7331 10.7331 12.4546 12.4546 13.5815 13.5815 14.1034 14.1034 14.6680 14.6680 k = 0.2455 0.1417 0.2047 ( 2972 PWs) bands (ev): -43.7748 -43.7748 -21.3836 -21.3836 -19.3576 -19.3576 -19.2377 -19.2377 -3.9398 -3.9398 -3.9090 -3.9090 -3.1114 -3.1114 -3.1018 -3.1018 -3.0048 -3.0048 -2.7081 -2.7081 -1.8347 -1.8347 4.5889 4.5889 5.2314 5.2314 6.6434 6.6434 7.6704 7.6704 8.0437 8.0437 8.4518 8.4518 9.9814 9.9814 10.6784 10.6784 12.4853 12.4853 13.5727 13.5727 14.1340 14.1340 14.7141 14.7141 k = 0.2545 0.1470 0.2047 ( 2972 PWs) bands (ev): -43.7737 -43.7737 -21.3870 -21.3870 -19.3624 -19.3624 -19.2411 -19.2411 -3.9399 -3.9399 -3.9078 -3.9078 -3.1090 -3.1090 -3.1008 -3.1008 -3.0007 -3.0007 -2.6678 -2.6678 -1.8208 -1.8208 4.6437 4.6437 5.2513 5.2513 6.6026 6.6026 7.6154 7.6154 8.0021 8.0021 8.4874 8.4874 9.9453 9.9453 10.6240 10.6240 12.5215 12.5215 13.5657 13.5657 14.1462 14.1462 14.7565 14.7565 k = 0.2636 0.1522 0.2047 ( 2978 PWs) bands (ev): -43.7727 -43.7727 -21.3904 -21.3904 -19.3676 -19.3676 -19.2443 -19.2443 -3.9401 -3.9401 -3.9068 -3.9068 -3.1074 -3.1074 -3.0995 -3.0995 -2.9965 -2.9965 -2.6267 -2.6267 -1.8068 -1.8068 4.6998 4.6998 5.2675 5.2675 6.5654 6.5654 7.5623 7.5623 7.9613 7.9613 8.5229 8.5229 9.9088 9.9088 10.5711 10.5711 12.5625 12.5625 13.5605 13.5605 14.1249 14.1249 14.7764 14.7764 k = 0.2727 0.1575 0.2047 ( 2978 PWs) bands (ev): -43.7717 -43.7717 -21.3939 -21.3939 -19.3729 -19.3729 -19.2471 -19.2471 -3.9403 -3.9403 -3.9058 -3.9058 -3.1067 -3.1067 -3.0976 -3.0976 -2.9923 -2.9923 -2.5851 -2.5851 -1.7929 -1.7929 4.7569 4.7569 5.2797 5.2797 6.5321 6.5321 7.5114 7.5114 7.9215 7.9215 8.5579 8.5579 9.8721 9.8721 10.5205 10.5205 12.6075 12.6075 13.5571 13.5571 14.0547 14.0547 14.7205 14.7205 k = 0.2818 0.1627 0.2047 ( 2974 PWs) bands (ev): -43.7706 -43.7706 -21.3973 -21.3973 -19.3784 -19.3784 -19.2496 -19.2496 -3.9405 -3.9405 -3.9048 -3.9048 -3.1067 -3.1067 -3.0953 -3.0953 -2.9879 -2.9879 -2.5431 -2.5431 -1.7790 -1.7790 4.8149 4.8149 5.2878 5.2878 6.5027 6.5027 7.4630 7.4630 7.8826 7.8826 8.5926 8.5926 9.8352 9.8352 10.4730 10.4730 12.6558 12.6558 13.5556 13.5556 13.9367 13.9367 14.6991 14.6991 k = 0.2909 0.1680 0.2047 ( 2974 PWs) bands (ev): -43.7695 -43.7695 -21.4007 -21.4007 -19.3840 -19.3840 -19.2518 -19.2518 -3.9408 -3.9408 -3.9040 -3.9040 -3.1071 -3.1071 -3.0929 -3.0929 -2.9834 -2.9834 -2.5009 -2.5009 -1.7652 -1.7652 4.8735 4.8735 5.2917 5.2917 6.4772 6.4772 7.4175 7.4175 7.8449 7.8449 8.6266 8.6266 9.7981 9.7981 10.4292 10.4292 12.7068 12.7068 13.5557 13.5557 13.7879 13.7879 14.7108 14.7108 k = 0.3000 0.1732 0.2047 ( 2980 PWs) bands (ev): -43.7686 -43.7686 -21.4041 -21.4041 -19.3897 -19.3897 -19.2538 -19.2538 -3.9411 -3.9411 -3.9033 -3.9033 -3.1078 -3.1078 -3.0905 -3.0905 -2.9790 -2.9790 -2.4588 -2.4588 -1.7516 -1.7516 4.9324 4.9324 5.2914 5.2914 6.4553 6.4553 7.3752 7.3752 7.8083 7.8083 8.6599 8.6599 9.7606 9.7606 10.3896 10.3896 12.7597 12.7597 13.5549 13.5549 13.6268 13.6268 14.7410 14.7410 k = 0.3091 0.1785 0.2047 ( 2984 PWs) bands (ev): -43.7676 -43.7676 -21.4074 -21.4074 -19.3954 -19.3954 -19.2556 -19.2556 -3.9415 -3.9415 -3.9026 -3.9026 -3.1087 -3.1087 -3.0880 -3.0880 -2.9745 -2.9745 -2.4169 -2.4169 -1.7382 -1.7382 4.9913 4.9913 5.2871 5.2871 6.4366 6.4366 7.3366 7.3366 7.7729 7.7729 8.6923 8.6923 9.7227 9.7227 10.3547 10.3547 12.8137 12.8137 13.4497 13.4497 13.5667 13.5667 14.7806 14.7806 k = 0.3182 0.1837 0.2047 ( 2992 PWs) bands (ev): -43.7667 -43.7667 -21.4107 -21.4107 -19.4012 -19.4012 -19.2572 -19.2572 -3.9420 -3.9420 -3.9021 -3.9021 -3.1098 -3.1098 -3.0855 -3.0855 -2.9701 -2.9701 -2.3754 -2.3754 -1.7250 -1.7250 5.0498 5.0498 5.2792 5.2792 6.4209 6.4209 7.3020 7.3020 7.7389 7.7389 8.7237 8.7237 9.6843 9.6843 10.3248 10.3248 12.8665 12.8665 13.2830 13.2830 13.5712 13.5712 14.8250 14.8250 k = 0.3273 0.1890 0.2047 ( 2992 PWs) bands (ev): -43.7657 -43.7657 -21.4140 -21.4140 -19.4069 -19.4069 -19.2585 -19.2585 -3.9424 -3.9424 -3.9015 -3.9015 -3.1109 -3.1109 -3.0830 -3.0830 -2.9656 -2.9656 -2.3345 -2.3345 -1.7122 -1.7122 5.1075 5.1075 5.2681 5.2681 6.4076 6.4076 7.2720 7.2720 7.7062 7.7062 8.7542 8.7542 9.6452 9.6452 10.3001 10.3001 12.9095 12.9095 13.1278 13.1278 13.5787 13.5787 14.8713 14.8713 k = 0.3364 0.1942 0.2047 ( 2998 PWs) bands (ev): -43.7649 -43.7649 -21.4171 -21.4171 -19.4125 -19.4125 -19.2598 -19.2598 -3.9429 -3.9429 -3.9011 -3.9011 -3.1121 -3.1121 -3.0806 -3.0806 -2.9612 -2.9612 -2.2943 -2.2943 -1.6997 -1.6997 5.1640 5.1640 5.2543 5.2543 6.3962 6.3962 7.2469 7.2469 7.6749 7.6749 8.7834 8.7834 9.6052 9.6052 10.2808 10.2808 12.8808 12.8808 13.0483 13.0483 13.5880 13.5880 14.9178 14.9178 k = 0.3455 0.1994 0.2047 ( 3002 PWs) bands (ev): -43.7640 -43.7640 -21.4202 -21.4202 -19.4180 -19.4180 -19.2608 -19.2608 -3.9434 -3.9434 -3.9007 -3.9007 -3.1134 -3.1134 -3.0782 -3.0782 -2.9569 -2.9569 -2.2551 -2.2551 -1.6875 -1.6875 5.2183 5.2183 5.2387 5.2387 6.3863 6.3863 7.2272 7.2272 7.6450 7.6450 8.8114 8.8114 9.5641 9.5641 10.2667 10.2667 12.7466 12.7466 13.0795 13.0795 13.5989 13.5989 14.9632 14.9632 k = 0.3545 0.2047 0.2047 ( 3006 PWs) bands (ev): -43.7632 -43.7632 -21.4232 -21.4232 -19.4233 -19.4233 -19.2618 -19.2618 -3.9438 -3.9438 -3.9004 -3.9004 -3.1146 -3.1146 -3.0759 -3.0759 -2.9526 -2.9526 -2.2170 -2.2170 -1.6758 -1.6758 5.2202 5.2202 5.2716 5.2716 6.3773 6.3773 7.2135 7.2135 7.6166 7.6166 8.8380 8.8380 9.5217 9.5217 10.2579 10.2579 12.5955 12.5955 13.1335 13.1335 13.6112 13.6112 15.0060 15.0060 k = 0.3636 0.2099 0.2047 ( 3006 PWs) bands (ev): -43.7623 -43.7623 -21.4260 -21.4260 -19.4284 -19.4284 -19.2626 -19.2626 -3.9443 -3.9443 -3.9001 -3.9001 -3.1159 -3.1159 -3.0736 -3.0736 -2.9484 -2.9484 -2.1801 -2.1801 -1.6646 -1.6646 5.2014 5.2014 5.3212 5.3212 6.3691 6.3691 7.2060 7.2060 7.5898 7.5898 8.8633 8.8633 9.4779 9.4779 10.2540 10.2540 12.4465 12.4465 13.1919 13.1919 13.6247 13.6247 15.0429 15.0429 k = 0.3727 0.2152 0.2047 ( 3010 PWs) bands (ev): -43.7616 -43.7616 -21.4288 -21.4288 -19.4334 -19.4334 -19.2633 -19.2633 -3.9448 -3.9448 -3.8999 -3.8999 -3.1171 -3.1171 -3.0714 -3.0714 -2.9445 -2.9445 -2.1447 -2.1447 -1.6538 -1.6538 5.1819 5.1819 5.3678 5.3678 6.3612 6.3612 7.2052 7.2052 7.5646 7.5646 8.8871 8.8871 9.4323 9.4323 10.2548 10.2548 12.3031 12.3031 13.2516 13.2516 13.6391 13.6391 15.0685 15.0685 k = 0.3818 0.2204 0.2047 ( 3006 PWs) bands (ev): -43.7608 -43.7608 -21.4314 -21.4314 -19.4381 -19.4381 -19.2639 -19.2639 -3.9452 -3.9452 -3.8997 -3.8997 -3.1183 -3.1183 -3.0693 -3.0693 -2.9406 -2.9406 -2.1108 -2.1108 -1.6437 -1.6437 5.1620 5.1620 5.4107 5.4107 6.3535 6.3535 7.2112 7.2112 7.5409 7.5409 8.9093 8.9093 9.3849 9.3849 10.2598 10.2598 12.1668 12.1668 13.3116 13.3116 13.6542 13.6542 15.0819 15.0819 k = 0.3909 0.2257 0.2047 ( 3006 PWs) bands (ev): -43.7601 -43.7601 -21.4338 -21.4338 -19.4425 -19.4425 -19.2644 -19.2644 -3.9457 -3.9457 -3.8995 -3.8995 -3.1195 -3.1195 -3.0672 -3.0672 -2.9370 -2.9370 -2.0787 -2.0787 -1.6341 -1.6341 5.1423 5.1423 5.4497 5.4497 6.3458 6.3458 7.2241 7.2241 7.5189 7.5189 8.9300 8.9300 9.3356 9.3356 10.2686 10.2686 12.0386 12.0386 13.3715 13.3715 13.6699 13.6699 15.0869 15.0869 k = 0.4000 0.2309 0.2047 ( 3010 PWs) bands (ev): -43.7595 -43.7595 -21.4361 -21.4361 -19.4467 -19.4467 -19.2649 -19.2649 -3.9462 -3.9462 -3.8994 -3.8994 -3.1206 -3.1206 -3.0654 -3.0654 -2.9336 -2.9336 -2.0486 -2.0486 -1.6251 -1.6251 5.1231 5.1231 5.4845 5.4845 6.3381 6.3381 7.2438 7.2438 7.4986 7.4986 8.9489 8.9489 9.2844 9.2844 10.2804 10.2804 11.9192 11.9192 13.4309 13.4309 13.6858 13.6858 15.0825 15.0825 k = 0.4091 0.2362 0.2047 ( 3014 PWs) bands (ev): -43.7589 -43.7589 -21.4382 -21.4382 -19.4505 -19.4505 -19.2653 -19.2653 -3.9467 -3.9467 -3.8993 -3.8993 -3.1216 -3.1216 -3.0636 -3.0636 -2.9305 -2.9305 -2.0205 -2.0205 -1.6168 -1.6168 5.1046 5.1046 5.5150 5.5150 6.3305 6.3305 7.2698 7.2698 7.4800 7.4800 8.9661 8.9661 9.2314 9.2314 10.2946 10.2946 11.8091 11.8091 13.4894 13.4894 13.7017 13.7017 15.0590 15.0590 k = 0.4182 0.2414 0.2047 ( 3004 PWs) bands (ev): -43.7583 -43.7583 -21.4402 -21.4402 -19.4540 -19.4540 -19.2656 -19.2656 -3.9470 -3.9470 -3.8992 -3.8992 -3.1225 -3.1225 -3.0619 -3.0619 -2.9275 -2.9275 -1.9945 -1.9945 -1.6092 -1.6092 5.0872 5.0872 5.5413 5.5413 6.3231 6.3231 7.3015 7.3015 7.4631 7.4631 8.9814 8.9814 9.1773 9.1773 10.3106 10.3106 11.7088 11.7088 13.5468 13.5468 13.7177 13.7177 15.0102 15.0102 k = 0.4273 0.2467 0.2047 ( 3000 PWs) bands (ev): -43.7577 -43.7577 -21.4419 -21.4419 -19.4572 -19.4572 -19.2659 -19.2659 -3.9473 -3.9473 -3.8991 -3.8991 -3.1234 -3.1234 -3.0603 -3.0603 -2.9249 -2.9249 -1.9709 -1.9709 -1.6023 -1.6023 5.0711 5.0711 5.5635 5.5635 6.3158 6.3158 7.3379 7.3379 7.4480 7.4480 8.9943 8.9943 9.1229 9.1229 10.3277 10.3277 11.6186 11.6186 13.6024 13.6024 13.7335 13.7335 14.9478 14.9478 k = 0.4364 0.2519 0.2047 ( 2994 PWs) bands (ev): -43.7572 -43.7572 -21.4435 -21.4435 -19.4601 -19.4601 -19.2662 -19.2662 -3.9476 -3.9476 -3.8990 -3.8990 -3.1241 -3.1241 -3.0589 -3.0589 -2.9224 -2.9224 -1.9498 -1.9498 -1.5961 -1.5961 5.0564 5.0564 5.5820 5.5820 6.3090 6.3090 7.3776 7.3776 7.4350 7.4350 9.0026 9.0026 9.0713 9.0713 10.3449 10.3449 11.5390 11.5390 13.6553 13.6553 13.7497 13.7497 14.8812 14.8812 k = 0.4455 0.2572 0.2047 ( 2988 PWs) bands (ev): -43.7567 -43.7567 -21.4449 -21.4449 -19.4626 -19.4626 -19.2664 -19.2664 -3.9479 -3.9479 -3.8989 -3.8989 -3.1247 -3.1247 -3.0577 -3.0577 -2.9203 -2.9203 -1.9313 -1.9313 -1.5908 -1.5908 5.0434 5.0434 5.5970 5.5970 6.3026 6.3026 7.4144 7.4144 7.4284 7.4284 8.9913 8.9913 9.0386 9.0386 10.3617 10.3617 11.4699 11.4699 13.7029 13.7029 13.7680 13.7680 14.8147 14.8147 k = 0.4545 0.2624 0.2047 ( 2992 PWs) bands (ev): -43.7565 -43.7565 -21.4461 -21.4461 -19.4647 -19.4647 -19.2665 -19.2665 -3.9482 -3.9482 -3.8989 -3.8989 -3.1253 -3.1253 -3.0567 -3.0567 -2.9185 -2.9185 -1.9154 -1.9154 -1.5862 -1.5862 5.0321 5.0321 5.6089 5.6089 6.2969 6.2969 7.4115 7.4115 7.4634 7.4634 8.9493 8.9493 9.0376 9.0376 10.3773 10.3773 11.4116 11.4116 13.7389 13.7389 13.7937 13.7937 14.7506 14.7506 k = 0.4636 0.2677 0.2047 ( 2986 PWs) bands (ev): -43.7561 -43.7561 -21.4470 -21.4470 -19.4664 -19.4664 -19.2667 -19.2667 -3.9484 -3.9484 -3.8989 -3.8989 -3.1258 -3.1258 -3.0558 -3.0558 -2.9170 -2.9170 -1.9023 -1.9023 -1.5824 -1.5824 5.0228 5.0228 5.6180 5.6180 6.2921 6.2921 7.4038 7.4038 7.5027 7.5027 8.9038 8.9038 9.0428 9.0428 10.3911 10.3911 11.3639 11.3639 13.7598 13.7598 13.8290 13.8290 14.6914 14.6914 k = 0.4727 0.2729 0.2047 ( 2986 PWs) bands (ev): -43.7559 -43.7559 -21.4478 -21.4478 -19.4678 -19.4678 -19.2667 -19.2667 -3.9485 -3.9485 -3.8989 -3.8989 -3.1262 -3.1262 -3.0551 -3.0551 -2.9159 -2.9159 -1.8920 -1.8920 -1.5794 -1.5794 5.0154 5.0154 5.6248 5.6248 6.2882 6.2882 7.3976 7.3976 7.5376 7.5376 8.8637 8.8637 9.0477 9.0477 10.4025 10.4025 11.3270 11.3270 13.7717 13.7717 13.8658 13.8658 14.6397 14.6397 k = 0.4818 0.2782 0.2047 ( 2984 PWs) bands (ev): -43.7557 -43.7557 -21.4483 -21.4483 -19.4688 -19.4688 -19.2668 -19.2668 -3.9486 -3.9486 -3.8989 -3.8989 -3.1264 -3.1264 -3.0547 -3.0547 -2.9150 -2.9150 -1.8846 -1.8846 -1.5773 -1.5773 5.0101 5.0101 5.6294 5.6294 6.2853 6.2853 7.3932 7.3932 7.5651 7.5651 8.8324 8.8324 9.0515 9.0515 10.4109 10.4109 11.3007 11.3007 13.7790 13.7790 13.8969 13.8969 14.5988 14.5988 k = 0.4909 0.2834 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4487 -21.4487 -19.4694 -19.4694 -19.2669 -19.2669 -3.9487 -3.9487 -3.8989 -3.8989 -3.1266 -3.1266 -3.0544 -3.0544 -2.9145 -2.9145 -1.8802 -1.8802 -1.5761 -1.5761 5.0069 5.0069 5.6321 5.6321 6.2835 6.2835 7.3905 7.3905 7.5828 7.5828 8.8124 8.8124 9.0538 9.0538 10.4162 10.4162 11.2849 11.2849 13.7832 13.7832 13.9177 13.9177 14.5721 14.5721 k = 0.5000 0.2887 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9487 -3.9487 -3.8988 -3.8988 -3.1266 -3.1266 -3.0543 -3.0543 -2.9144 -2.9144 -1.8787 -1.8787 -1.5756 -1.5756 5.0058 5.0058 5.6330 5.6330 6.2829 6.2829 7.3896 7.3896 7.5890 7.5890 8.8055 8.8055 9.0546 9.0546 10.4179 10.4179 11.2797 11.2797 13.7845 13.7845 13.9251 13.9251 14.5628 14.5628 k = 0.5000 0.2887 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9487 -3.9487 -3.8988 -3.8988 -3.1266 -3.1266 -3.0543 -3.0543 -2.9144 -2.9144 -1.8787 -1.8787 -1.5756 -1.5756 5.0058 5.0058 5.6330 5.6330 6.2829 6.2829 7.3896 7.3896 7.5890 7.5890 8.8055 8.8055 9.0546 9.0546 10.4179 10.4179 11.2797 11.2797 13.7845 13.7845 13.9251 13.9251 14.5628 14.5628 k = 0.4948 0.2977 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4499 -21.4477 -19.4707 -19.4683 -19.2673 -19.2667 -3.9487 -3.9485 -3.8991 -3.8985 -3.1274 -3.1258 -3.0546 -3.0538 -2.9150 -2.9142 -1.8802 -1.8762 -1.5755 -1.5754 5.0064 5.0082 5.6327 5.6333 6.2824 6.2844 7.3803 7.3825 7.5944 7.5963 8.8079 8.8095 9.0445 9.0537 10.4145 10.4248 11.2779 11.2807 13.7728 13.7897 13.9203 13.9395 14.5598 14.5636 k = 0.4896 0.3067 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4510 -21.4467 -19.4717 -19.4670 -19.2681 -19.2669 -3.9485 -3.9479 -3.8994 -3.8982 -3.1280 -3.1249 -3.0550 -3.0534 -2.9159 -2.9143 -1.8809 -1.8729 -1.5749 -1.5747 5.0098 5.0134 5.6324 5.6337 6.2828 6.2868 7.3578 7.3614 7.6106 7.6136 8.8169 8.8199 9.0237 9.0417 10.4145 10.4349 11.2753 11.2809 13.7574 13.7867 13.9265 13.9605 14.5547 14.5622 k = 0.4844 0.3157 0.2047 ( 2984 PWs) bands (ev): -43.7555 -43.7555 -21.4521 -21.4458 -19.4726 -19.4655 -19.2691 -19.2675 -3.9480 -3.9472 -3.8997 -3.8978 -3.1286 -3.1240 -3.0553 -3.0530 -2.9172 -2.9148 -1.8806 -1.8687 -1.5738 -1.5735 5.0162 5.0216 5.6322 5.6340 6.2842 6.2901 7.3269 7.3312 7.6328 7.6362 8.8320 8.8362 8.9930 9.0189 10.4181 10.4478 11.2718 11.2803 13.7401 13.7770 13.9423 13.9862 14.5475 14.5588 k = 0.4792 0.3248 0.2047 ( 2992 PWs) bands (ev): -43.7555 -43.7555 -21.4532 -21.4449 -19.4735 -19.4639 -19.2705 -19.2683 -3.9474 -3.9462 -3.9000 -3.8975 -3.1291 -3.1230 -3.0556 -3.0525 -2.9188 -2.9156 -1.8795 -1.8636 -1.5724 -1.5720 5.0255 5.0326 5.6318 5.6343 6.2864 6.2943 7.2913 7.2956 7.6577 7.6609 8.8529 8.8574 8.9537 8.9858 10.4250 10.4633 11.2676 11.2790 13.7219 13.7631 13.9648 14.0155 14.5384 14.5533 k = 0.4740 0.3338 0.2047 ( 2990 PWs) bands (ev): -43.7554 -43.7554 -21.4544 -21.4440 -19.4742 -19.4623 -19.2721 -19.2695 -3.9464 -3.9450 -3.9001 -3.8971 -3.1294 -3.1219 -3.0559 -3.0520 -2.9207 -2.9167 -1.8776 -1.8578 -1.5705 -1.5700 5.0376 5.0465 5.6313 5.6345 6.2896 6.2994 7.2530 7.2572 7.6833 7.6861 8.8753 8.8791 8.9141 8.9430 10.4348 10.4807 11.2624 11.2769 13.7030 13.7469 13.9918 14.0478 14.5276 14.5461 k = 0.4688 0.3428 0.2047 ( 2990 PWs) bands (ev): -43.7553 -43.7553 -21.4556 -21.4431 -19.4749 -19.4605 -19.2739 -19.2710 -3.9452 -3.9435 -3.9003 -3.8968 -3.1296 -3.1207 -3.0561 -3.0516 -2.9230 -2.9182 -1.8748 -1.8511 -1.5683 -1.5677 5.0526 5.0632 5.6305 5.6343 6.2937 6.3053 7.2136 7.2173 7.7088 7.7109 8.8383 8.8889 8.9124 8.9263 10.4474 10.4999 11.2564 11.2741 13.6834 13.7292 14.0220 14.0828 14.5153 14.5374 k = 0.4635 0.3518 0.2047 ( 2996 PWs) bands (ev): -43.7553 -43.7553 -21.4568 -21.4423 -19.4754 -19.4585 -19.2760 -19.2728 -3.9440 -3.9419 -3.9005 -3.8964 -3.1298 -3.1194 -3.0562 -3.0511 -2.9255 -2.9201 -1.8711 -1.8437 -1.5657 -1.5650 5.0703 5.0828 5.6292 5.6338 6.2986 6.3120 7.1740 7.1771 7.7338 7.7350 8.7756 8.8299 8.9467 8.9611 10.4623 10.5206 11.2494 11.2704 13.6629 13.7101 14.0548 14.1203 14.5014 14.5272 k = 0.4583 0.3608 0.2047 ( 3000 PWs) bands (ev): -43.7552 -43.7552 -21.4580 -21.4416 -19.4759 -19.4565 -19.2784 -19.2749 -3.9425 -3.9401 -3.9006 -3.8960 -3.1298 -3.1181 -3.0564 -3.0506 -2.9284 -2.9223 -1.8667 -1.8356 -1.5627 -1.5619 5.0908 5.1050 5.6274 5.6327 6.3043 6.3196 7.1351 7.1374 7.7580 7.7583 8.7049 8.7624 8.9858 9.0011 10.4793 10.5424 11.2414 11.2660 13.6411 13.6895 14.0896 14.1601 14.4855 14.5157 k = 0.4531 0.3699 0.2047 ( 3000 PWs) bands (ev): -43.7550 -43.7550 -21.4592 -21.4409 -19.4764 -19.4544 -19.2809 -19.2773 -3.9409 -3.9381 -3.9006 -3.8956 -3.1296 -3.1166 -3.0564 -3.0501 -2.9315 -2.9248 -1.8616 -1.8268 -1.5594 -1.5585 5.1141 5.1299 5.6249 5.6310 6.3109 6.3278 7.0977 7.0990 7.7806 7.7815 8.6282 8.6884 9.0281 9.0446 10.4981 10.5653 11.2326 11.2609 13.6177 13.6670 14.1257 14.2021 14.4655 14.5019 k = 0.4479 0.3789 0.2047 ( 2996 PWs) bands (ev): -43.7548 -43.7548 -21.4604 -21.4402 -19.4767 -19.4521 -19.2835 -19.2800 -3.9390 -3.9359 -3.9006 -3.8952 -3.1293 -3.1150 -3.0563 -3.0495 -2.9348 -2.9276 -1.8558 -1.8174 -1.5557 -1.5548 5.1399 5.1575 5.6215 5.6283 6.3183 6.3368 7.0622 7.0625 7.8020 7.8041 8.5464 8.6086 9.0729 9.0906 10.5187 10.5892 11.2228 11.2551 13.5920 13.6421 14.1625 14.2461 14.4355 14.4822 k = 0.4427 0.3879 0.2047 ( 2992 PWs) bands (ev): -43.7546 -43.7546 -21.4617 -21.4396 -19.4771 -19.4498 -19.2863 -19.2829 -3.9371 -3.9335 -3.9005 -3.8947 -3.1288 -3.1133 -3.0562 -3.0489 -2.9384 -2.9306 -1.8493 -1.8075 -1.5518 -1.5509 5.1683 5.1876 5.6171 5.6246 6.3263 6.3465 7.0286 7.0293 7.8223 7.8259 8.4604 8.5240 9.1198 9.1388 10.5407 10.6142 11.2120 11.2486 13.5638 13.6143 14.1978 14.2921 14.3852 14.4440 k = 0.4375 0.3969 0.2047 ( 2990 PWs) bands (ev): -43.7544 -43.7543 -21.4629 -21.4390 -19.4773 -19.4473 -19.2892 -19.2861 -3.9352 -3.9311 -3.9004 -3.8943 -3.1282 -3.1115 -3.0561 -3.0484 -2.9421 -2.9339 -1.8423 -1.7971 -1.5477 -1.5467 5.1993 5.2202 5.6114 5.6197 6.3351 6.3567 6.9976 6.9995 7.8416 7.8468 8.3707 8.4353 9.1683 9.1886 10.5643 10.6403 11.2004 11.2416 13.5326 13.5830 14.2214 14.3204 14.3397 14.3734 k = 0.4323 0.4059 0.2047 ( 2992 PWs) bands (ev): -43.7542 -43.7542 -21.4641 -21.4385 -19.4776 -19.4448 -19.2922 -19.2895 -3.9333 -3.9287 -3.9002 -3.8940 -3.1274 -3.1096 -3.0559 -3.0479 -2.9461 -2.9375 -1.8347 -1.7863 -1.5434 -1.5423 5.2326 5.2552 5.6044 5.6134 6.3445 6.3675 6.9700 6.9731 7.8596 7.8667 8.2782 8.3431 9.2181 9.2396 10.5894 10.6675 11.1879 11.2341 13.4979 13.5480 14.1785 14.2815 14.3041 14.3889 k = 0.4271 0.4150 0.2047 ( 3002 PWs) bands (ev): -43.7541 -43.7541 -21.4653 -21.4381 -19.4779 -19.4421 -19.2952 -19.2932 -3.9314 -3.9262 -3.9000 -3.8936 -3.1266 -3.1076 -3.0558 -3.0474 -2.9503 -2.9414 -1.8267 -1.7751 -1.5389 -1.5377 5.2682 5.2925 5.5960 5.6057 6.3546 6.3788 6.9463 6.9506 7.8760 7.8854 8.1837 8.2481 9.2687 9.2914 10.6159 10.6960 11.1746 11.2262 13.4597 13.5090 14.0809 14.1803 14.3311 14.4389 k = 0.4219 0.4240 0.2047 ( 3002 PWs) bands (ev): -43.7538 -43.7538 -21.4665 -21.4377 -19.4781 -19.4394 -19.2983 -19.2970 -3.9295 -3.9237 -3.8996 -3.8933 -3.1254 -3.1055 -3.0555 -3.0468 -2.9546 -2.9455 -1.8183 -1.7637 -1.5342 -1.5330 5.3060 5.3320 5.5862 5.5965 6.3652 6.3905 6.9266 6.9322 7.8900 7.9026 8.0884 8.1513 9.3199 9.3439 10.6440 10.7258 11.1607 11.2180 13.4177 13.4658 13.9698 14.0735 14.3623 14.4869 k = 0.4167 0.4330 0.2047 ( 3006 PWs) bands (ev): -43.7537 -43.7537 -21.4676 -21.4374 -19.4783 -19.4366 -19.3013 -19.3009 -3.9277 -3.9212 -3.8992 -3.8929 -3.1242 -3.1032 -3.0551 -3.0463 -2.9590 -2.9497 -1.8096 -1.7522 -1.5295 -1.5283 5.3459 5.3735 5.5750 5.5859 6.3764 6.4027 6.9112 6.9180 7.8974 7.9172 7.9968 8.0540 9.3714 9.3967 10.6736 10.7572 11.1461 11.2097 13.3721 13.4185 13.8526 13.9630 14.3920 14.5122 k = 0.4115 0.4420 0.2047 ( 2994 PWs) bands (ev): -43.7533 -43.7533 -21.4688 -21.4370 -19.4785 -19.4337 -19.3051 -19.3043 -3.9259 -3.9186 -3.8986 -3.8925 -3.1227 -3.1008 -3.0546 -3.0456 -2.9634 -2.9540 -1.8007 -1.7406 -1.5247 -1.5235 5.3877 5.4169 5.5626 5.5739 6.3881 6.4152 6.9002 6.9082 7.8645 7.9175 7.9430 7.9685 9.4231 9.4496 10.7048 10.7901 11.1310 11.2014 13.3229 13.3673 13.7316 13.8500 14.4200 14.5239 k = 0.4062 0.4511 0.2047 ( 2994 PWs) bands (ev): -43.7531 -43.7531 -21.4699 -21.4368 -19.4787 -19.4308 -19.3093 -19.3072 -3.9243 -3.9161 -3.8980 -3.8922 -3.1212 -3.0982 -3.0541 -3.0449 -2.9680 -2.9585 -1.7917 -1.7289 -1.5199 -1.5187 5.4310 5.4621 5.5493 5.5606 6.4003 6.4280 6.8935 6.9027 7.7763 7.8418 7.9423 7.9564 9.4748 9.5024 10.7374 10.8246 11.1154 11.1932 13.2705 13.3125 13.6083 13.7355 14.4471 14.5375 k = 0.4010 0.4601 0.2047 ( 2988 PWs) bands (ev): -43.7528 -43.7528 -21.4709 -21.4366 -19.4790 -19.4278 -19.3136 -19.3100 -3.9228 -3.9137 -3.8972 -3.8919 -3.1194 -3.0955 -3.0535 -3.0442 -2.9725 -2.9631 -1.7826 -1.7174 -1.5152 -1.5139 5.4748 5.5089 5.5362 5.5464 6.4131 6.4410 6.8910 6.9013 7.6791 7.7431 7.9488 7.9654 9.5264 9.5551 10.7714 10.8608 11.0994 11.1851 13.2152 13.2546 13.4841 13.6207 14.4744 14.5541 k = 0.3958 0.4691 0.2047 ( 2980 PWs) bands (ev): -43.7525 -43.7525 -21.4720 -21.4364 -19.4793 -19.4247 -19.3179 -19.3127 -3.9214 -3.9113 -3.8963 -3.8915 -3.1176 -3.0927 -3.0528 -3.0434 -2.9770 -2.9678 -1.7736 -1.7061 -1.5106 -1.5092 5.5067 5.5309 5.5357 5.5574 6.4263 6.4543 6.8925 6.9039 7.5807 7.6428 7.9547 7.9743 9.5777 9.6075 10.8066 10.8985 11.0829 11.1771 13.1575 13.1940 13.3602 13.5068 14.5027 14.5738 k = 0.3906 0.4781 0.2047 ( 2984 PWs) bands (ev): -43.7523 -43.7523 -21.4730 -21.4363 -19.4796 -19.4217 -19.3223 -19.3152 -3.9203 -3.9092 -3.8955 -3.8913 -3.1157 -3.0899 -3.0521 -3.0427 -2.9817 -2.9727 -1.7647 -1.6951 -1.5060 -1.5047 5.4987 5.5154 5.5759 5.6066 6.4400 6.4678 6.8976 6.9101 7.4829 7.5427 7.9589 7.9814 9.6287 9.6594 10.8426 10.9377 11.0662 11.1691 13.0982 13.1313 13.2383 13.3952 14.5326 14.5961 k = 0.3854 0.4871 0.2047 ( 2980 PWs) bands (ev): -43.7521 -43.7521 -21.4739 -21.4362 -19.4799 -19.4186 -19.3267 -19.3176 -3.9193 -3.9072 -3.8946 -3.8910 -3.1137 -3.0870 -3.0512 -3.0418 -2.9862 -2.9776 -1.7560 -1.6845 -1.5017 -1.5004 5.4838 5.4997 5.6239 5.6567 6.4543 6.4814 6.9061 6.9194 7.3864 7.4436 7.9610 7.9864 9.6793 9.7108 10.8788 10.9781 11.0494 11.1609 13.0378 13.0666 13.1204 13.2871 14.5642 14.6208 k = 0.3802 0.4962 0.2047 ( 2976 PWs) bands (ev): -43.7518 -43.7518 -21.4748 -21.4362 -19.4802 -19.4156 -19.3309 -19.3197 -3.9184 -3.9054 -3.8937 -3.8907 -3.1117 -3.0841 -3.0502 -3.0408 -2.9907 -2.9825 -1.7477 -1.6744 -1.4976 -1.4962 5.4683 5.4840 5.6732 5.7073 6.4691 6.4952 6.9174 6.9312 7.2922 7.3462 7.9607 7.9892 9.7295 9.7614 10.9133 11.0194 11.0337 11.1523 12.9773 12.9923 13.0163 13.1841 14.5975 14.6477 k = 0.3750 0.5052 0.2047 ( 2968 PWs) bands (ev): -43.7515 -43.7515 -21.4756 -21.4361 -19.4806 -19.4125 -19.3351 -19.3216 -3.9177 -3.9037 -3.8927 -3.8903 -3.1097 -3.0812 -3.0490 -3.0397 -2.9950 -2.9873 -1.7398 -1.6650 -1.4938 -1.4924 5.4532 5.4689 5.7228 5.7580 6.4847 6.5092 6.9310 6.9446 7.2013 7.2509 7.9581 7.9896 9.7789 9.8111 10.9410 11.0235 11.0612 11.1429 12.8917 12.9176 12.9454 13.0875 14.6324 14.6761 k = 0.3698 0.5142 0.2047 ( 2980 PWs) bands (ev): -43.7515 -43.7515 -21.4763 -21.4362 -19.4810 -19.4096 -19.3392 -19.3234 -3.9173 -3.9024 -3.8919 -3.8901 -3.1079 -3.0786 -3.0478 -3.0386 -2.9994 -2.9922 -1.7325 -1.6562 -1.4902 -1.4889 5.4389 5.4545 5.7722 5.8080 6.5010 6.5234 6.9462 6.9574 7.1160 7.1586 7.9534 7.9879 9.8274 9.8593 10.9493 11.0305 11.1026 11.1322 12.7926 12.8599 12.8827 12.9987 14.6685 14.7057 k = 0.3646 0.5232 0.2047 ( 2984 PWs) bands (ev): -43.7514 -43.7514 -21.4770 -21.4362 -19.4813 -19.4068 -19.3430 -19.3249 -3.9169 -3.9013 -3.8911 -3.8899 -3.1062 -3.0760 -3.0463 -3.0373 -3.0035 -2.9969 -1.7258 -1.6483 -1.4871 -1.4857 5.4257 5.4413 5.8204 5.8567 6.5183 6.5379 6.9601 6.9623 7.0458 7.0700 7.9467 7.9842 9.8746 9.9057 10.9364 11.0557 11.1193 11.1437 12.7025 12.8054 12.8237 12.9190 14.7056 14.7359 k = 0.3594 0.5322 0.2047 ( 2984 PWs) bands (ev): -43.7513 -43.7512 -21.4775 -21.4362 -19.4817 -19.4042 -19.3465 -19.3261 -3.9166 -3.9003 -3.8905 -3.8896 -3.1046 -3.0737 -3.0446 -3.0359 -3.0073 -3.0014 -1.7199 -1.6414 -1.4843 -1.4829 5.4139 5.4295 5.8665 5.9029 6.5369 6.5528 6.9210 6.9744 6.9900 7.0227 7.9386 7.9790 9.9196 9.9494 10.9145 11.0862 11.1052 11.1819 12.6237 12.7559 12.7693 12.8495 14.7434 14.7660 k = 0.3542 0.5413 0.2047 ( 2988 PWs) bands (ev): -43.7512 -43.7512 -21.4780 -21.4363 -19.4820 -19.4018 -19.3496 -19.3271 -3.9164 -3.8996 -3.8899 -3.8894 -3.1032 -3.0717 -3.0429 -3.0344 -3.0110 -3.0057 -1.7148 -1.6354 -1.4819 -1.4805 5.4038 5.4194 5.9090 5.9454 6.5571 6.5683 6.8560 6.9056 6.9959 7.0311 7.9298 7.9728 9.9614 9.9894 10.8893 11.0893 11.1158 11.2168 12.5581 12.7128 12.7209 12.7910 14.7813 14.7952 k = 0.3490 0.5503 0.2047 ( 2988 PWs) bands (ev): -43.7511 -43.7511 -21.4784 -21.4364 -19.4823 -19.3998 -19.3523 -19.3279 -3.9162 -3.8990 -3.8894 -3.8892 -3.1020 -3.0701 -3.0411 -3.0327 -3.0143 -3.0094 -1.7107 -1.6306 -1.4801 -1.4786 5.3956 5.4112 5.9462 5.9824 6.5794 6.5845 6.7930 6.8340 7.0099 7.0440 7.9209 7.9663 9.9985 10.0242 10.8640 11.0727 11.1416 11.2467 12.5066 12.6777 12.6803 12.7445 14.8185 14.8222 k = 0.3438 0.5593 0.2047 ( 2992 PWs) bands (ev): -43.7511 -43.7511 -21.4787 -21.4364 -19.4826 -19.3983 -19.3542 -19.3284 -3.9162 -3.8987 -3.8891 -3.8890 -3.1013 -3.0689 -3.0394 -3.0310 -3.0172 -3.0126 -1.7076 -1.6271 -1.4787 -1.4773 5.3895 5.4052 5.9757 6.0116 6.6015 6.6039 6.7387 6.7713 7.0214 7.0556 7.9132 7.9604 10.0285 10.0519 10.8414 11.0572 11.1617 11.2700 12.4701 12.6493 12.6515 12.7109 14.8454 14.8539 k = 0.3385 0.5683 0.2047 ( 2992 PWs) bands (ev): -43.7510 -43.7510 -21.4789 -21.4364 -19.4827 -19.3973 -19.3555 -19.3288 -3.9161 -3.8985 -3.8889 -3.8889 -3.1007 -3.0682 -3.0381 -3.0295 -3.0193 -3.0147 -1.7057 -1.6249 -1.4778 -1.4764 5.3858 5.4014 5.9950 6.0306 6.6180 6.6299 6.6980 6.7208 7.0292 7.0637 7.9077 7.9561 10.0486 10.0701 10.8250 11.0456 11.1746 11.2848 12.4487 12.6297 12.6353 12.6907 14.8621 14.8840 k = 0.3333 0.5774 0.2047 ( 2988 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8984 -3.8888 -3.8888 -3.1006 -3.0679 -3.0376 -3.0288 -3.0202 -3.0154 -1.7050 -1.6242 -1.4775 -1.4761 5.3845 5.4002 6.0017 6.0373 6.6266 6.6465 6.6810 6.6957 7.0320 7.0667 7.9056 7.9545 10.0559 10.0766 10.8188 11.0410 11.1791 11.2900 12.4417 12.6230 12.6298 12.6841 14.8686 14.8984 k = 0.3333 0.5774 0.2047 ( 2988 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8984 -3.8888 -3.8888 -3.1006 -3.0679 -3.0376 -3.0288 -3.0202 -3.0154 -1.7050 -1.6242 -1.4775 -1.4761 5.3845 5.4002 6.0017 6.0373 6.6266 6.6465 6.6810 6.6957 7.0320 7.0667 7.9056 7.9545 10.0559 10.0766 10.8188 11.0410 11.1791 11.2900 12.4417 12.6230 12.6298 12.6841 14.8686 14.8984 k = 0.3280 0.5682 0.2047 ( 2992 PWs) bands (ev): -43.7510 -43.7510 -21.4789 -21.4364 -19.4827 -19.3973 -19.3555 -19.3288 -3.9161 -3.8985 -3.8889 -3.8889 -3.1007 -3.0682 -3.0381 -3.0295 -3.0193 -3.0147 -1.7057 -1.6250 -1.4779 -1.4764 5.3859 5.4015 5.9948 6.0303 6.6206 6.6326 6.6958 6.7185 7.0288 7.0633 7.9081 7.9565 10.0479 10.0694 10.8261 11.0467 11.1743 11.2845 12.4485 12.6301 12.6357 12.6906 14.8605 14.8805 k = 0.3228 0.5590 0.2047 ( 2984 PWs) bands (ev): -43.7510 -43.7510 -21.4787 -21.4364 -19.4825 -19.3982 -19.3543 -19.3285 -3.9161 -3.8986 -3.8890 -3.8890 -3.1012 -3.0690 -3.0391 -3.0308 -3.0172 -3.0127 -1.7079 -1.6274 -1.4788 -1.4774 5.3900 5.4056 5.9749 6.0102 6.6143 6.6168 6.7270 6.7600 7.0186 7.0525 7.9161 7.9630 10.0240 10.0477 10.8487 11.0650 11.1601 11.2683 12.4681 12.6511 12.6533 12.7097 14.8351 14.8360 k = 0.3175 0.5499 0.2047 ( 2984 PWs) bands (ev): -43.7511 -43.7511 -21.4784 -21.4363 -19.4821 -19.3994 -19.3525 -19.3280 -3.9162 -3.8989 -3.8894 -3.8892 -3.1020 -3.0704 -3.0403 -3.0324 -3.0147 -3.0100 -1.7117 -1.6317 -1.4803 -1.4789 5.3969 5.4126 5.9448 5.9793 6.6081 6.6130 6.7666 6.8088 7.0011 7.0342 7.9299 7.9744 9.9858 10.0124 10.8860 11.0965 11.1372 11.2420 12.4991 12.6823 12.6852 12.7401 14.7770 14.7931 k = 0.3122 0.5407 0.2047 ( 2992 PWs) bands (ev): -43.7513 -43.7513 -21.4779 -21.4361 -19.4816 -19.4009 -19.3502 -19.3273 -3.9163 -3.8993 -3.8899 -3.8896 -3.1031 -3.0724 -3.0415 -3.0341 -3.0119 -3.0070 -1.7171 -1.6377 -1.4826 -1.4812 5.4067 5.4224 5.9077 5.9408 6.6055 6.6155 6.8119 6.8625 6.9764 7.0091 7.9496 7.9908 9.9364 9.9657 10.9357 11.1069 11.1408 11.2070 12.5403 12.7216 12.7308 12.7807 14.7087 14.7375 k = 0.3069 0.5315 0.2047 ( 3000 PWs) bands (ev): -43.7515 -43.7515 -21.4773 -21.4359 -19.4808 -19.4026 -19.3476 -19.3265 -3.9165 -3.8998 -3.8906 -3.8901 -3.1045 -3.0749 -3.0424 -3.0355 -3.0090 -3.0037 -1.7242 -1.6456 -1.4854 -1.4841 5.4193 5.4350 5.8666 5.8977 6.6069 6.6200 6.8586 6.9166 6.9482 6.9806 7.9746 8.0118 9.8792 9.9102 10.9923 11.0741 11.1649 11.1967 12.5903 12.7697 12.7858 12.8302 14.6339 14.6721 k = 0.3016 0.5224 0.2047 ( 3000 PWs) bands (ev): -43.7517 -43.7517 -21.4765 -21.4356 -19.4798 -19.4042 -19.3447 -19.3255 -3.9166 -3.9003 -3.8913 -3.8906 -3.1059 -3.0776 -3.0430 -3.0368 -3.0061 -3.0004 -1.7330 -1.6555 -1.4890 -1.4876 5.4347 5.4504 5.8236 5.8523 6.6106 6.6252 6.8871 6.9016 6.9681 6.9860 8.0040 8.0368 9.8172 9.8490 11.0098 11.0842 11.1176 11.2622 12.6482 12.8253 12.8481 12.8875 14.5551 14.5999 k = 0.2963 0.5132 0.2047 ( 2992 PWs) bands (ev): -43.7519 -43.7519 -21.4755 -21.4353 -19.4786 -19.4058 -19.3416 -19.3244 -3.9166 -3.9009 -3.8921 -3.8911 -3.1075 -3.0805 -3.0434 -3.0378 -3.0032 -2.9970 -1.7437 -1.6674 -1.4932 -1.4919 5.4527 5.4685 5.7804 5.8064 6.6154 6.6305 6.8575 6.8634 7.0055 7.0496 8.0369 8.0650 9.7532 9.7847 10.9694 11.0664 11.1559 11.3361 12.7130 12.8866 12.9154 12.9513 14.4740 14.5236 k = 0.2910 0.5040 0.2047 ( 2998 PWs) bands (ev): -43.7522 -43.7522 -21.4744 -21.4348 -19.4771 -19.4072 -19.3383 -19.3232 -3.9168 -3.9016 -3.8930 -3.8917 -3.1092 -3.0837 -3.0437 -3.0389 -3.0004 -2.9938 -1.7563 -1.6813 -1.4981 -1.4968 5.4733 5.4891 5.7383 5.7613 6.6206 6.6351 6.8079 6.8168 7.0639 7.1159 8.0721 8.0952 9.6894 9.7195 10.9207 11.0128 11.2396 11.4173 12.7837 12.9519 12.9855 13.0204 14.3925 14.4455 k = 0.2857 0.4949 0.2047 ( 3006 PWs) bands (ev): -43.7526 -43.7526 -21.4732 -21.4343 -19.4754 -19.4085 -19.3350 -19.3219 -3.9171 -3.9024 -3.8940 -3.8924 -3.1110 -3.0871 -3.0438 -3.0398 -2.9979 -2.9909 -1.7708 -1.6973 -1.5037 -1.5024 5.4961 5.5120 5.6980 5.7179 6.6256 6.6389 6.7542 6.7631 7.1277 7.1840 8.1085 8.1264 9.6277 9.6557 10.8696 10.9580 11.3297 11.5047 12.8595 13.0192 13.0559 13.0940 14.3124 14.3677 k = 0.2804 0.4857 0.2047 ( 3006 PWs) bands (ev): -43.7530 -43.7530 -21.4717 -21.4337 -19.4734 -19.4095 -19.3317 -19.3205 -3.9172 -3.9032 -3.8951 -3.8931 -3.1127 -3.0903 -3.0438 -3.0406 -2.9955 -2.9882 -1.7872 -1.7153 -1.5099 -1.5086 5.5208 5.5367 5.6601 5.6767 6.6300 6.6411 6.6976 6.7061 7.1941 7.2533 8.1448 8.1574 9.5697 9.5949 10.8176 10.9030 11.4252 11.5976 12.9395 13.0855 13.1242 13.1717 14.2357 14.2924 k = 0.2751 0.4765 0.2047 ( 3002 PWs) bands (ev): -43.7533 -43.7533 -21.4701 -21.4329 -19.4711 -19.4103 -19.3282 -19.3190 -3.9173 -3.9041 -3.8962 -3.8937 -3.1144 -3.0935 -3.0437 -3.0413 -2.9933 -2.9856 -1.8055 -1.7353 -1.5168 -1.5155 5.5466 5.5628 5.6253 5.6383 6.6326 6.6345 6.6404 6.6549 7.2618 7.3232 8.1799 8.1868 9.5169 9.5387 10.7658 10.8486 11.5254 11.6955 13.0223 13.1473 13.1880 13.2536 14.1649 14.2216 k = 0.2698 0.4674 0.2047 ( 2998 PWs) bands (ev): -43.7537 -43.7537 -21.4684 -21.4321 -19.4686 -19.4108 -19.3248 -19.3174 -3.9175 -3.9050 -3.8972 -3.8944 -3.1161 -3.0967 -3.0435 -3.0418 -2.9914 -2.9834 -1.8257 -1.7574 -1.5244 -1.5230 5.5708 5.5882 5.5958 5.6040 6.5803 6.5828 6.6366 6.6470 7.3304 7.3936 8.2125 8.2136 9.4708 9.4886 10.7149 10.7954 11.6298 11.7978 13.1052 13.2005 13.2457 13.3398 14.1026 14.1581 k = 0.2646 0.4582 0.2047 ( 3002 PWs) bands (ev): -43.7543 -43.7543 -21.4664 -21.4311 -19.4657 -19.4111 -19.3213 -19.3157 -3.9176 -3.9060 -3.8985 -3.8951 -3.1177 -3.0998 -3.0433 -3.0424 -2.9898 -2.9816 -1.8479 -1.7816 -1.5325 -1.5312 5.5607 5.5693 5.6035 5.6167 6.5229 6.5245 6.6381 6.6457 7.3993 7.4640 8.2366 8.2414 9.4325 9.4461 10.6657 10.7442 11.7381 11.9042 13.1809 13.2410 13.2998 13.4303 14.0516 14.1044 k = 0.2593 0.4491 0.2047 ( 2996 PWs) bands (ev): -43.7547 -43.7547 -21.4643 -21.4300 -19.4626 -19.4111 -19.3179 -19.3140 -3.9178 -3.9071 -3.8996 -3.8957 -3.1192 -3.1027 -3.0431 -3.0429 -2.9885 -2.9800 -1.8719 -1.8077 -1.5413 -1.5400 5.5357 5.5402 5.6274 5.6409 6.4685 6.4685 6.6384 6.6435 7.4680 7.5341 8.2547 8.2655 9.4031 9.4122 10.6187 10.6955 11.8502 12.0145 13.2327 13.2653 13.3632 13.5244 14.0144 14.0629 k = 0.2540 0.4399 0.2047 ( 2992 PWs) bands (ev): -43.7553 -43.7552 -21.4620 -21.4288 -19.4592 -19.4108 -19.3144 -19.3122 -3.9180 -3.9082 -3.9007 -3.8962 -3.1207 -3.1056 -3.0434 -3.0429 -2.9874 -2.9788 -1.8978 -1.8357 -1.5506 -1.5493 5.5132 5.5141 5.6485 5.6613 6.4178 6.4197 6.6373 6.6400 7.5364 7.6036 8.2673 8.2840 9.3832 9.3879 10.5743 10.6496 11.9657 12.1284 13.2489 13.2712 13.4451 13.6215 13.9913 14.0344 k = 0.2487 0.4307 0.2047 ( 2996 PWs) bands (ev): -43.7559 -43.7559 -21.4596 -21.4275 -19.4555 -19.4103 -19.3110 -19.3104 -3.9183 -3.9094 -3.9019 -3.8969 -3.1221 -3.1084 -3.0438 -3.0426 -2.9868 -2.9780 -1.9255 -1.8656 -1.5605 -1.5592 5.4911 5.4936 5.6634 5.6750 6.3754 6.3795 6.6350 6.6353 7.6039 7.6722 8.2739 8.2961 9.3732 9.3737 10.5331 10.6069 12.0845 12.2456 13.2370 13.2591 13.5385 13.7207 13.9800 14.0177 k = 0.2434 0.4216 0.2047 ( 2992 PWs) bands (ev): -43.7565 -43.7565 -21.4570 -21.4260 -19.4516 -19.4094 -19.3085 -19.3075 -3.9185 -3.9106 -3.9029 -3.8974 -3.1234 -3.1110 -3.0442 -3.0423 -2.9866 -2.9775 -1.9550 -1.8973 -1.5710 -1.5696 5.4712 5.4769 5.6689 5.6789 6.3446 6.3513 6.6294 6.6313 7.6703 7.7397 8.2746 8.3020 9.3697 9.3729 10.4953 10.5678 12.2064 12.3660 13.2064 13.2314 13.6367 13.8209 13.9759 14.0095 k = 0.2381 0.4124 0.2047 ( 3000 PWs) bands (ev): -43.7573 -43.7573 -21.4543 -21.4245 -19.4474 -19.4083 -19.3065 -19.3041 -3.9188 -3.9119 -3.9041 -3.8981 -3.1246 -3.1135 -3.0446 -3.0421 -2.9869 -2.9777 -1.9861 -1.9307 -1.5819 -1.5806 5.4542 5.4631 5.6621 5.6702 6.3284 6.3380 6.6222 6.6264 7.7353 7.8056 8.2699 8.3018 9.3755 9.3816 10.4613 10.5326 12.3312 12.4891 13.1639 13.1921 13.7365 13.9191 13.9739 14.0068 k = 0.2328 0.4032 0.2047 ( 3008 PWs) bands (ev): -43.7581 -43.7581 -21.4514 -21.4228 -19.4429 -19.4069 -19.3045 -19.3007 -3.9192 -3.9133 -3.9052 -3.8987 -3.1258 -3.1160 -3.0450 -3.0419 -2.9874 -2.9781 -2.0188 -1.9658 -1.5934 -1.5920 5.4400 5.4519 5.6416 5.6478 6.3287 6.3411 6.6141 6.6203 7.7984 7.8696 8.2607 8.2964 9.3901 9.3984 10.4315 10.5016 12.4584 12.6144 13.1148 13.1452 13.8352 13.9707 13.9835 14.0360 k = 0.2275 0.3941 0.2047 ( 3008 PWs) bands (ev): -43.7589 -43.7589 -21.4484 -21.4210 -19.4383 -19.4052 -19.3025 -19.2973 -3.9196 -3.9146 -3.9062 -3.8992 -3.1267 -3.1182 -3.0453 -3.0416 -2.9883 -2.9788 -2.0530 -2.0023 -1.6053 -1.6039 5.4282 5.4430 5.6078 5.6124 6.3450 6.3600 6.6051 6.6132 7.8593 7.9315 8.2480 8.2869 9.4125 9.4221 10.4060 10.4750 12.5873 12.7404 13.0636 13.0946 13.9232 13.9712 13.9811 14.1251 k = 0.2222 0.3849 0.2047 ( 3004 PWs) bands (ev): -43.7597 -43.7597 -21.4452 -21.4190 -19.4333 -19.4032 -19.3004 -19.2939 -3.9201 -3.9158 -3.9070 -3.8997 -3.1276 -3.1202 -3.0456 -3.0413 -2.9895 -2.9799 -2.0886 -2.0403 -1.6176 -1.6162 5.4186 5.4361 5.5628 5.5662 6.3754 6.3926 6.5956 6.6055 7.9174 7.9907 8.2329 8.2746 9.4411 9.4515 10.3852 10.4529 12.7161 12.8600 13.0197 13.0442 13.9370 13.9669 14.0353 14.2143 k = 0.2169 0.3757 0.2047 ( 3004 PWs) bands (ev): -43.7605 -43.7605 -21.4419 -21.4170 -19.4282 -19.4010 -19.2982 -19.2905 -3.9206 -3.9171 -3.9079 -3.9002 -3.1283 -3.1222 -3.0458 -3.0411 -2.9911 -2.9814 -2.1255 -2.0795 -1.6303 -1.6289 5.4109 5.4310 5.5094 5.5121 6.4170 6.4362 6.5860 6.5972 7.9724 8.0469 8.2164 8.2608 9.4749 9.4854 10.3692 10.4357 12.8355 12.9118 13.0046 13.0456 13.9181 13.9463 14.1182 14.2938 k = 0.2116 0.3666 0.2047 ( 3006 PWs) bands (ev): -43.7614 -43.7614 -21.4385 -21.4148 -19.4229 -19.3985 -19.2959 -19.2871 -3.9212 -3.9184 -3.9086 -3.9007 -3.1290 -3.1240 -3.0461 -3.0409 -2.9931 -2.9833 -2.1637 -2.1199 -1.6434 -1.6419 5.4041 5.4270 5.4501 5.4527 6.4674 6.4885 6.5769 6.5889 8.0234 8.0995 8.1996 8.2468 9.5125 9.5227 10.3584 10.4235 12.8749 12.8852 13.0369 13.1629 13.8921 13.9204 14.1913 14.3577 k = 0.2063 0.3574 0.2047 ( 3002 PWs) bands (ev): -43.7623 -43.7623 -21.4350 -21.4126 -19.4175 -19.3958 -19.2936 -19.2837 -3.9219 -3.9197 -3.9093 -3.9012 -3.1296 -3.1257 -3.0464 -3.0407 -2.9953 -2.9854 -2.2028 -2.1613 -1.6567 -1.6553 5.3843 5.3866 5.4036 5.4240 6.5229 6.5477 6.5702 6.5809 8.0694 8.1477 8.1837 8.2341 9.5530 9.5626 10.3529 10.4165 12.8260 12.8521 13.1542 13.2947 13.8613 13.8901 14.2492 14.4013 k = 0.2011 0.3482 0.2047 ( 3002 PWs) bands (ev): -43.7632 -43.7632 -21.4314 -21.4102 -19.4119 -19.3929 -19.2911 -19.2803 -3.9225 -3.9209 -3.9099 -3.9017 -3.1300 -3.1273 -3.0466 -3.0405 -2.9981 -2.9880 -2.2430 -2.2037 -1.6704 -1.6690 5.3208 5.3209 5.3965 5.4211 6.5532 6.5735 6.5955 6.6126 8.1085 8.1653 8.1950 8.2250 9.5955 9.6042 10.3529 10.4148 12.7768 12.8056 13.2866 13.4284 13.8272 13.8568 14.2902 14.4244 k = 0.1958 0.3391 0.2047 ( 2998 PWs) bands (ev): -43.7642 -43.7641 -21.4277 -21.4077 -19.4062 -19.3898 -19.2885 -19.2768 -3.9232 -3.9221 -3.9104 -3.9022 -3.1304 -3.1287 -3.0468 -3.0404 -3.0010 -2.9908 -2.2839 -2.2468 -1.6844 -1.6829 5.2535 5.2537 5.3918 5.4180 6.5499 6.5676 6.6605 6.6818 8.1368 8.1521 8.2237 8.2342 9.6392 9.6468 10.3585 10.4185 12.7294 12.7583 13.4204 13.5599 13.7913 13.8217 14.3163 14.4317 k = 0.1905 0.3299 0.2047 ( 2998 PWs) bands (ev): -43.7651 -43.7651 -21.4240 -21.4052 -19.4005 -19.3865 -19.2859 -19.2733 -3.9240 -3.9233 -3.9109 -3.9028 -3.1307 -3.1300 -3.0470 -3.0404 -3.0043 -2.9938 -2.3256 -2.2905 -1.6985 -1.6971 5.1855 5.1857 5.3869 5.4140 6.5465 6.5636 6.7317 6.7546 8.1399 8.1500 8.2346 8.2690 9.6836 9.6900 10.3698 10.4277 12.6843 12.7122 13.5507 13.6847 13.7549 13.7865 14.3347 14.4309 k = 0.1852 0.3208 0.2047 ( 2994 PWs) bands (ev): -43.7661 -43.7661 -21.4201 -21.4025 -19.3947 -19.3831 -19.2830 -19.2698 -3.9248 -3.9245 -3.9114 -3.9034 -3.1313 -3.1310 -3.0472 -3.0404 -3.0079 -2.9971 -2.3678 -2.3347 -1.7129 -1.7114 5.1176 5.1177 5.3811 5.4087 6.5455 6.5621 6.8063 6.8305 8.1299 8.1520 8.2539 8.2988 9.7281 9.7333 10.3869 10.4425 12.6417 12.6681 13.6705 13.7180 13.7546 13.7968 14.3561 14.4303 k = 0.1799 0.3116 0.2047 ( 2992 PWs) bands (ev): -43.7671 -43.7671 -21.4162 -21.3998 -19.3890 -19.3795 -19.2800 -19.2662 -3.9256 -3.9256 -3.9119 -3.9040 -3.1324 -3.1313 -3.0474 -3.0406 -3.0117 -3.0005 -2.4104 -2.3792 -1.7273 -1.7260 5.0500 5.0501 5.3738 5.4014 6.5478 6.5636 6.8836 6.9090 8.1224 8.1501 8.2743 8.3231 9.7724 9.7763 10.4097 10.4627 12.6017 12.6262 13.6836 13.7101 13.7902 13.8837 14.3942 14.4385 k = 0.1746 0.3024 0.2047 ( 2996 PWs) bands (ev): -43.7682 -43.7682 -21.4123 -21.3970 -19.3833 -19.3759 -19.2768 -19.2625 -3.9268 -3.9265 -3.9124 -3.9047 -3.1336 -3.1316 -3.0477 -3.0410 -3.0157 -3.0041 -2.4533 -2.4239 -1.7420 -1.7406 4.9832 4.9833 5.3647 5.3919 6.5540 6.5687 6.9629 6.9895 8.1175 8.1484 8.2919 8.3418 9.8161 9.8188 10.4379 10.4882 12.5643 12.5866 13.6515 13.6821 13.8727 13.9372 14.4595 14.4650 k = 0.1693 0.2933 0.2047 ( 2984 PWs) bands (ev): -43.7692 -43.7692 -21.4084 -21.3942 -19.3777 -19.3722 -19.2733 -19.2587 -3.9278 -3.9273 -3.9128 -3.9053 -3.1346 -3.1317 -3.0480 -3.0416 -3.0198 -3.0075 -2.4962 -2.4686 -1.7566 -1.7553 4.9174 4.9175 5.3532 5.3796 6.5645 6.5777 7.0440 7.0718 8.1154 8.1483 8.3054 8.3551 9.8589 9.8604 10.4714 10.5188 12.5294 12.5493 13.6226 13.6547 13.9277 13.9579 14.5155 14.5508 k = 0.1640 0.2841 0.2047 ( 2980 PWs) bands (ev): -43.7702 -43.7702 -21.4044 -21.3913 -19.3722 -19.3684 -19.2697 -19.2548 -3.9289 -3.9281 -3.9133 -3.9060 -3.1356 -3.1320 -3.0485 -3.0426 -3.0240 -3.0109 -2.5392 -2.5131 -1.7714 -1.7701 4.8529 4.8530 5.3391 5.3643 6.5797 6.5911 7.1264 7.1554 8.1162 8.1506 8.3144 8.3629 9.9008 9.9011 10.5096 10.5540 12.4970 12.5143 13.5975 13.6306 13.9532 13.9555 14.5866 14.6551 k = 0.1587 0.2749 0.2047 ( 2978 PWs) bands (ev): -43.7713 -43.7713 -21.4005 -21.3884 -19.3670 -19.3647 -19.2657 -19.2509 -3.9299 -3.9290 -3.9138 -3.9068 -3.1366 -3.1322 -3.0492 -3.0440 -3.0284 -3.0141 -2.5819 -2.5573 -1.7861 -1.7848 4.7898 4.7898 5.3222 5.3460 6.5996 6.6090 7.2098 7.2400 8.1200 8.1554 8.3186 8.3655 9.9407 9.9415 10.5521 10.5933 12.4673 12.4819 13.5767 13.6107 13.9393 13.9561 14.6652 14.7557 k = 0.1534 0.2658 0.2047 ( 2970 PWs) bands (ev): -43.7723 -43.7723 -21.3965 -21.3855 -19.3619 -19.3609 -19.2615 -19.2468 -3.9310 -3.9299 -3.9143 -3.9075 -3.1377 -3.1326 -3.0502 -3.0461 -3.0325 -3.0169 -2.6241 -2.6009 -1.8008 -1.7996 4.7283 4.7283 5.3026 5.3247 6.6243 6.6316 7.2939 7.3253 8.1269 8.1631 8.3184 8.3633 9.9790 9.9808 10.5982 10.6362 12.4404 12.4523 13.5606 13.5952 13.9154 13.9448 14.7346 14.8352 k = 0.1481 0.2566 0.2047 ( 2974 PWs) bands (ev): -43.7734 -43.7734 -21.3926 -21.3825 -19.3573 -19.3572 -19.2570 -19.2425 -3.9320 -3.9308 -3.9150 -3.9085 -3.1389 -3.1332 -3.0520 -3.0489 -3.0365 -3.0194 -2.6658 -2.6438 -1.8154 -1.8143 4.6684 4.6684 5.2802 5.3005 6.6537 6.6588 7.3782 7.4111 8.1367 8.1735 8.3141 8.3566 10.0159 10.0187 10.6471 10.6818 12.4167 12.4257 13.5492 13.5844 13.8874 13.9252 14.7812 14.8798 k = 0.1429 0.2474 0.2047 ( 2974 PWs) bands (ev): -43.7745 -43.7745 -21.3888 -21.3796 -19.3537 -19.3527 -19.2523 -19.2382 -3.9330 -3.9317 -3.9156 -3.9094 -3.1402 -3.1339 -3.0545 -3.0523 -3.0398 -3.0215 -2.7067 -2.6857 -1.8300 -1.8288 4.6104 4.6104 5.2552 5.2737 6.6876 6.6905 7.4626 7.4968 8.1495 8.1867 8.3061 8.3459 10.0514 10.0551 10.6978 10.7292 12.3966 12.4028 13.5427 13.5782 13.8573 13.9010 14.7984 14.8880 k = 0.1376 0.2383 0.2047 ( 2974 PWs) bands (ev): -43.7756 -43.7756 -21.3849 -21.3766 -19.3502 -19.3485 -19.2472 -19.2336 -3.9340 -3.9326 -3.9163 -3.9104 -3.1417 -3.1349 -3.0582 -3.0564 -3.0426 -3.0233 -2.7464 -2.7264 -1.8443 -1.8433 4.5542 4.5542 5.2278 5.2445 6.7258 6.7265 7.5466 7.5824 8.1653 8.2022 8.2952 8.3316 10.0854 10.0899 10.7493 10.7774 12.3807 12.3842 13.5409 13.5764 13.8265 13.8744 14.7886 14.8681 k = 0.1323 0.2291 0.2047 ( 2970 PWs) bands (ev): -43.7766 -43.7766 -21.3812 -21.3737 -19.3468 -19.3446 -19.2419 -19.2290 -3.9349 -3.9334 -3.9170 -3.9115 -3.1435 -3.1362 -3.0627 -3.0611 -3.0448 -3.0249 -2.7848 -2.7655 -1.8585 -1.8576 4.4999 4.4999 5.1984 5.2132 6.7665 6.7677 7.6301 7.6673 8.1839 8.2187 8.2831 8.3142 10.1180 10.1231 10.8006 10.8254 12.3699 12.3707 13.5436 13.5788 13.7957 13.8470 14.7580 14.8293 k = 0.1270 0.2199 0.2047 ( 2966 PWs) bands (ev): -43.7777 -43.7777 -21.3775 -21.3708 -19.3435 -19.3411 -19.2363 -19.2242 -3.9358 -3.9343 -3.9177 -3.9125 -3.1457 -3.1381 -3.0680 -3.0662 -3.0469 -3.0267 -2.8212 -2.8025 -1.8725 -1.8716 4.4476 4.4477 5.1672 5.1803 6.8101 6.8132 7.7125 7.7514 8.2051 8.2307 8.2758 8.2945 10.1489 10.1547 10.8502 10.8718 12.3633 12.3651 13.5504 13.5850 13.7656 13.8196 14.7126 14.7781 k = 0.1217 0.2108 0.2047 ( 2968 PWs) bands (ev): -43.7788 -43.7788 -21.3739 -21.3679 -19.3405 -19.3378 -19.2305 -19.2193 -3.9367 -3.9352 -3.9185 -3.9137 -3.1487 -3.1407 -3.0740 -3.0719 -3.0492 -3.0288 -2.8553 -2.8371 -1.8863 -1.8854 4.3974 4.3974 5.1347 5.1462 6.8569 6.8618 7.7937 7.8342 8.2257 8.2280 8.2737 8.2862 10.1782 10.1845 10.8971 10.9156 12.3630 12.3672 13.5610 13.5946 13.7365 13.7931 14.6573 14.7186 k = 0.1164 0.2016 0.2047 ( 2968 PWs) bands (ev): -43.7798 -43.7798 -21.3704 -21.3651 -19.3375 -19.3349 -19.2246 -19.2143 -3.9376 -3.9361 -3.9194 -3.9148 -3.1527 -3.1446 -3.0803 -3.0779 -3.0519 -3.0315 -2.8864 -2.8685 -1.8997 -1.8989 4.3492 4.3492 5.1011 5.1111 6.9066 6.9130 7.8733 7.9154 8.2083 8.2395 8.2654 8.3098 10.2059 10.2126 10.9400 10.9554 12.3708 12.3773 13.5750 13.6068 13.7089 13.7680 14.5952 14.6536 k = 0.1111 0.1925 0.2047 ( 2972 PWs) bands (ev): -43.7809 -43.7809 -21.3670 -21.3623 -19.3348 -19.3322 -19.2185 -19.2092 -3.9385 -3.9371 -3.9202 -3.9161 -3.1582 -3.1503 -3.0870 -3.0843 -3.0550 -3.0351 -2.9136 -2.8963 -1.9129 -1.9121 4.3032 4.3032 5.0668 5.0754 6.9587 6.9664 7.9511 7.9946 8.1865 8.2192 8.2902 8.3390 10.2319 10.2388 10.9778 10.9905 12.3875 12.3961 13.5917 13.6207 13.6830 13.7451 14.5286 14.5851 k = 0.1058 0.1833 0.2047 ( 2960 PWs) bands (ev): -43.7817 -43.7817 -21.3636 -21.3596 -19.3323 -19.3298 -19.2123 -19.2040 -3.9393 -3.9379 -3.9210 -3.9172 -3.1659 -3.1584 -3.0934 -3.0907 -3.0586 -3.0398 -2.9360 -2.9196 -1.9256 -1.9250 4.2592 4.2592 5.0322 5.0395 7.0128 7.0216 8.0267 8.0712 8.1629 8.1941 8.3218 8.3715 10.2561 10.2632 11.0098 11.0199 12.4138 12.4242 13.6109 13.6349 13.6591 13.7259 14.4595 14.5144 k = 0.1005 0.1741 0.2047 ( 2964 PWs) bands (ev): -43.7828 -43.7828 -21.3605 -21.3570 -19.3299 -19.3276 -19.2061 -19.1988 -3.9402 -3.9389 -3.9219 -3.9184 -3.1764 -3.1700 -3.0994 -3.0970 -3.0626 -3.0456 -2.9534 -2.9385 -1.9380 -1.9374 4.2174 4.2174 4.9974 5.0037 7.0684 7.0781 8.0998 8.1382 8.1410 8.1721 8.3562 8.4066 10.2785 10.2857 11.0354 11.0433 12.4501 12.4620 13.6308 13.6384 13.6456 13.7137 14.3889 14.4426 k = 0.0952 0.1650 0.2047 ( 2968 PWs) bands (ev): -43.7837 -43.7837 -21.3574 -21.3544 -19.3277 -19.3256 -19.2000 -19.1935 -3.9411 -3.9398 -3.9228 -3.9197 -3.1904 -3.1851 -3.1045 -3.1026 -3.0668 -3.0523 -2.9657 -2.9530 -1.9500 -1.9495 4.1777 4.1777 4.9630 4.9682 7.1252 7.1356 8.1127 8.1370 8.1707 8.2204 8.3932 8.4437 10.2991 10.3062 11.0546 11.0606 12.4962 12.5092 13.6171 13.6470 13.6550 13.7140 14.3180 14.3707 k = 0.0899 0.1558 0.2047 ( 2968 PWs) bands (ev): -43.7847 -43.7847 -21.3545 -21.3519 -19.3257 -19.3238 -19.1939 -19.1883 -3.9420 -3.9408 -3.9237 -3.9209 -3.2075 -3.2035 -3.1086 -3.1074 -3.0711 -3.0591 -2.9740 -2.9636 -1.9615 -1.9610 4.1402 4.1402 4.9290 4.9334 7.1826 7.1935 8.0874 8.1107 8.2387 8.2875 8.4324 8.4825 10.3177 10.3247 11.0677 11.0722 12.5517 12.5655 13.5999 13.6392 13.6784 13.7265 14.2477 14.2995 k = 0.0847 0.1466 0.2047 ( 2964 PWs) bands (ev): -43.7855 -43.7855 -21.3517 -21.3496 -19.3239 -19.3222 -19.1879 -19.1832 -3.9428 -3.9417 -3.9245 -3.9220 -3.2272 -3.2241 -3.1118 -3.1113 -3.0751 -3.0655 -2.9793 -2.9712 -1.9725 -1.9721 4.1048 4.1048 4.8957 4.8994 7.2403 7.2516 8.0622 8.0840 8.3039 8.3517 8.4736 8.5226 10.3343 10.3410 11.0752 11.0784 12.6160 12.6302 13.5851 13.6280 13.7025 13.7449 14.1787 14.2295 k = 0.0794 0.1375 0.2047 ( 2960 PWs) bands (ev): -43.7863 -43.7863 -21.3491 -21.3473 -19.3222 -19.3208 -19.1821 -19.1781 -3.9435 -3.9426 -3.9253 -3.9232 -3.2485 -3.2463 -3.1144 -3.1144 -3.0788 -3.0712 -2.9827 -2.9765 -1.9830 -1.9827 4.0716 4.0716 4.8635 4.8664 7.2977 7.3092 8.0375 8.0577 8.3663 8.4122 8.5165 8.5633 10.3488 10.3550 11.0780 11.0802 12.6879 12.7023 13.5727 13.6169 13.7268 13.7656 14.1117 14.1616 k = 0.0741 0.1283 0.2047 ( 2964 PWs) bands (ev): -43.7871 -43.7871 -21.3466 -21.3451 -19.3207 -19.3195 -19.1764 -19.1731 -3.9444 -3.9436 -3.9261 -3.9243 -3.2706 -3.2689 -3.1169 -3.1166 -3.0823 -3.0763 -2.9849 -2.9802 -1.9930 -1.9927 4.0406 4.0406 4.8324 4.8348 7.3545 7.3660 8.0135 8.0321 8.4259 8.4687 8.5608 8.6041 10.3611 10.3669 11.0768 11.0783 12.7666 12.7808 13.5628 13.6069 13.7508 13.7871 14.0473 14.0962 k = 0.0688 0.1191 0.2047 ( 2964 PWs) bands (ev): -43.7879 -43.7879 -21.3443 -21.3431 -19.3193 -19.3183 -19.1710 -19.1683 -3.9452 -3.9445 -3.9269 -3.9254 -3.2927 -3.2915 -3.1190 -3.1185 -3.0853 -3.0806 -2.9862 -2.9827 -2.0024 -2.0022 4.0117 4.0117 4.8027 4.8046 7.4101 7.4215 7.9903 8.0075 8.4828 8.5215 8.6056 8.6446 10.3712 10.3764 11.0725 11.0735 12.8508 12.8647 13.5554 13.5985 13.7741 13.8085 13.9860 14.0340 k = 0.0635 0.1100 0.2047 ( 2956 PWs) bands (ev): -43.7885 -43.7885 -21.3421 -21.3412 -19.3181 -19.3173 -19.1658 -19.1637 -3.9460 -3.9454 -3.9275 -3.9263 -3.3144 -3.3135 -3.1207 -3.1202 -3.0880 -3.0843 -2.9869 -2.9843 -2.0112 -2.0110 3.9850 3.9850 4.7745 4.7760 7.4642 7.4753 7.9683 7.9840 8.5370 8.5709 8.6500 8.6841 10.3791 10.3836 11.0659 11.0665 12.9397 12.9531 13.5503 13.5919 13.7960 13.8293 13.9283 13.9758 k = 0.0582 0.1008 0.2047 ( 2952 PWs) bands (ev): -43.7891 -43.7891 -21.3401 -21.3394 -19.3170 -19.3164 -19.1610 -19.1593 -3.9467 -3.9462 -3.9281 -3.9272 -3.3352 -3.3345 -3.1222 -3.1217 -3.0903 -3.0875 -2.9872 -2.9854 -2.0194 -2.0193 3.9605 3.9605 4.7480 4.7492 7.5162 7.5269 7.9475 7.9618 8.5884 8.6172 8.6932 8.7221 10.3848 10.3887 11.0577 11.0581 13.0322 13.0449 13.5474 13.5869 13.8150 13.8486 13.8752 13.9232 k = 0.0529 0.0916 0.2047 ( 2956 PWs) bands (ev): -43.7898 -43.7898 -21.3383 -21.3377 -19.3160 -19.3155 -19.1565 -19.1552 -3.9475 -3.9471 -3.9288 -3.9280 -3.3548 -3.3544 -3.1237 -3.1232 -3.0923 -3.0903 -2.9874 -2.9861 -2.0270 -2.0268 3.9381 3.9381 4.7234 4.7242 7.5657 7.5758 7.9282 7.9410 8.6369 8.6606 8.7345 8.7581 10.3883 10.3915 11.0486 11.0488 13.1273 13.1393 13.5465 13.5834 13.8236 13.8242 13.8692 13.8838 k = 0.0476 0.0825 0.2047 ( 2956 PWs) bands (ev): -43.7903 -43.7903 -21.3366 -21.3362 -19.3152 -19.3148 -19.1523 -19.1514 -3.9482 -3.9480 -3.9293 -3.9288 -3.3731 -3.3727 -3.1250 -3.1246 -3.0941 -3.0926 -2.9874 -2.9865 -2.0339 -2.0338 3.9178 3.9178 4.7008 4.7014 7.6122 7.6217 7.9104 7.9218 8.6823 8.7013 8.7731 8.7920 10.3899 10.3924 11.0390 11.0392 13.2242 13.2354 13.5474 13.5811 13.7800 13.8023 13.8774 13.8864 k = 0.0423 0.0733 0.2047 ( 2960 PWs) bands (ev): -43.7909 -43.7909 -21.3351 -21.3348 -19.3144 -19.3142 -19.1485 -19.1479 -3.9489 -3.9487 -3.9299 -3.9295 -3.3897 -3.3895 -3.1262 -3.1259 -3.0956 -3.0946 -2.9873 -2.9867 -2.0401 -2.0400 3.8997 3.8997 4.6802 4.6806 7.6553 7.6640 7.8942 7.9043 8.7243 8.7388 8.8089 8.8233 10.3897 10.3916 11.0295 11.0296 13.3220 13.3322 13.5497 13.5797 13.7408 13.7657 13.8895 13.9023 k = 0.0370 0.0642 0.2047 ( 2956 PWs) bands (ev): -43.7913 -43.7913 -21.3338 -21.3336 -19.3138 -19.3136 -19.1451 -19.1447 -3.9495 -3.9494 -3.9303 -3.9300 -3.4047 -3.4045 -3.1272 -3.1270 -3.0968 -3.0961 -2.9871 -2.9867 -2.0456 -2.0456 3.8838 3.8838 4.6618 4.6621 7.6946 7.7025 7.8799 7.8886 8.7624 8.7729 8.8415 8.8519 10.3880 10.3894 11.0204 11.0204 13.4195 13.4284 13.5533 13.5787 13.7075 13.7304 13.9039 13.9166 k = 0.0317 0.0550 0.2047 ( 2956 PWs) bands (ev): -43.7917 -43.7917 -21.3327 -21.3326 -19.3133 -19.3132 -19.1421 -19.1419 -3.9500 -3.9500 -3.9307 -3.9305 -3.4178 -3.4177 -3.1281 -3.1280 -3.0978 -3.0974 -2.9869 -2.9867 -2.0504 -2.0504 3.8700 3.8700 4.6457 4.6459 7.7297 7.7366 7.8673 7.8748 8.7961 8.8032 8.8707 8.8777 10.3853 10.3862 11.0119 11.0119 13.5141 13.5189 13.5614 13.5781 13.6816 13.7001 13.9176 13.9291 k = 0.0265 0.0458 0.2047 ( 2960 PWs) bands (ev): -43.7921 -43.7921 -21.3317 -21.3316 -19.3128 -19.3128 -19.1396 -19.1394 -3.9506 -3.9505 -3.9310 -3.9309 -3.4291 -3.4290 -3.1290 -3.1290 -3.0987 -3.0984 -2.9867 -2.9866 -2.0546 -2.0545 3.8583 3.8583 4.6320 4.6321 7.7601 7.7660 7.8567 7.8629 8.8249 8.8293 8.8963 8.9005 10.3818 10.3824 11.0044 11.0044 13.5532 13.5698 13.6047 13.6167 13.6710 13.6819 13.9298 13.9397 k = 0.0212 0.0367 0.2047 ( 2956 PWs) bands (ev): -43.7923 -43.7923 -21.3309 -21.3309 -19.3125 -19.3124 -19.1375 -19.1374 -3.9510 -3.9509 -3.9313 -3.9312 -3.4383 -3.4383 -3.1297 -3.1297 -3.0993 -3.0992 -2.9865 -2.9864 -2.0579 -2.0579 3.8487 3.8487 4.6206 4.6207 7.7856 7.7904 7.8481 7.8530 8.8486 8.8509 8.9179 8.9202 10.3781 10.3784 10.9980 10.9980 13.5569 13.5677 13.6290 13.6400 13.7225 13.7278 13.9402 13.9483 k = 0.0159 0.0275 0.2047 ( 2960 PWs) bands (ev): -43.7926 -43.7926 -21.3303 -21.3303 -19.3122 -19.3122 -19.1359 -19.1358 -3.9514 -3.9513 -3.9315 -3.9315 -3.4456 -3.4456 -3.1303 -3.1303 -3.0998 -3.0998 -2.9864 -2.9863 -2.0606 -2.0606 3.8413 3.8413 4.6118 4.6118 7.8058 7.8094 7.8415 7.8452 8.8668 8.8678 8.9353 8.9363 10.3747 10.3748 10.9929 10.9929 13.5573 13.5625 13.6249 13.6301 13.8044 13.8090 13.9488 13.9549 k = 0.0106 0.0183 0.2047 ( 2962 PWs) bands (ev): -43.7927 -43.7927 -21.3299 -21.3299 -19.3120 -19.3120 -19.1347 -19.1347 -3.9516 -3.9516 -3.9317 -3.9316 -3.4509 -3.4509 -3.1308 -3.1308 -3.1002 -3.1002 -2.9863 -2.9862 -2.0624 -2.0624 3.8360 3.8360 4.6054 4.6054 7.8204 7.8227 7.8373 7.8396 8.8797 8.8800 8.9480 8.9483 10.3718 10.3719 10.9891 10.9891 13.5559 13.5575 13.6211 13.6227 13.8798 13.8832 13.9557 13.9597 k = 0.0053 0.0092 0.2047 ( 2966 PWs) bands (ev): -43.7929 -43.7929 -21.3296 -21.3296 -19.3119 -19.3119 -19.1340 -19.1340 -3.9518 -3.9518 -3.9318 -3.9318 -3.4540 -3.4540 -3.1311 -3.1311 -3.1005 -3.1005 -2.9862 -2.9862 -2.0636 -2.0636 3.8328 3.8328 4.6016 4.6016 7.8288 7.8294 7.8361 7.8367 8.8873 8.8873 8.9558 8.9558 10.3700 10.3700 10.9869 10.9869 13.5539 13.5541 13.6189 13.6192 13.9351 13.9366 13.9623 13.9639 k = 0.0000 0.0000 0.2047 ( 2974 PWs) bands (ev): -43.7930 -43.7930 -21.3296 -21.3296 -19.3119 -19.3119 -19.1338 -19.1338 -3.9520 -3.9520 -3.9318 -3.9318 -3.4551 -3.4551 -3.1313 -3.1313 -3.1006 -3.1006 -2.9862 -2.9862 -2.0640 -2.0640 3.8318 3.8318 4.6003 4.6003 7.8306 7.8306 7.8367 7.8367 8.8898 8.8898 8.9583 8.9583 10.3693 10.3693 10.9861 10.9861 13.5530 13.5530 13.6182 13.6182 13.9522 13.9522 13.9698 13.9698 k = 0.5000 0.2887 0.2047 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9487 -3.9487 -3.8988 -3.8988 -3.1266 -3.1266 -3.0543 -3.0543 -2.9144 -2.9144 -1.8787 -1.8787 -1.5756 -1.5756 5.0058 5.0058 5.6330 5.6330 6.2829 6.2829 7.3896 7.3896 7.5890 7.5890 8.8055 8.8055 9.0546 9.0546 10.4179 10.4179 11.2797 11.2797 13.7845 13.7845 13.9251 13.9251 14.5628 14.5628 k = 0.5000 0.2887 0.1944 ( 2992 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8990 -3.8989 -3.1268 -3.1266 -3.0545 -3.0541 -2.9145 -2.9145 -1.8796 -1.8784 -1.5757 -1.5748 5.0041 5.0054 5.6341 5.6345 6.2780 6.2818 7.3897 7.3897 7.5939 7.5959 8.8039 8.8060 9.0543 9.0544 10.4133 10.4169 11.2766 11.2805 13.7834 13.7850 13.9228 13.9244 14.5474 14.5617 k = 0.5000 0.2887 0.1842 ( 2988 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8990 -3.8988 -3.1268 -3.1265 -3.0547 -3.0539 -2.9145 -2.9144 -1.8811 -1.8787 -1.5749 -1.5733 5.0002 5.0028 5.6378 5.6387 6.2674 6.2747 7.3900 7.3901 7.6105 7.6145 8.8013 8.8054 9.0535 9.0538 10.4029 10.4100 11.2715 11.2793 13.7819 13.7850 13.9174 13.9205 14.5180 14.5448 k = 0.5000 0.2887 0.1740 ( 2988 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9487 -3.8991 -3.8987 -3.1269 -3.1265 -3.0549 -3.0537 -2.9146 -2.9144 -1.8832 -1.8797 -1.5735 -1.5710 4.9945 4.9982 5.6441 5.6451 6.2515 6.2623 7.3906 7.3906 7.6383 7.6441 8.7976 8.8037 9.0522 9.0527 10.3869 10.3972 11.2647 11.2761 13.7797 13.7845 13.9083 13.9129 14.4794 14.5161 k = 0.5000 0.2887 0.1637 ( 2984 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9487 -3.9487 -3.8992 -3.8986 -3.1269 -3.1264 -3.0550 -3.0535 -2.9146 -2.9144 -1.8857 -1.8812 -1.5713 -1.5682 4.9870 4.9917 5.6527 5.6536 6.2313 6.2453 7.3914 7.3914 7.6764 7.6836 8.7931 8.8009 9.0505 9.0511 10.3652 10.3785 11.2565 11.2712 13.7768 13.7835 13.8952 13.9008 14.4367 14.4806 k = 0.5000 0.2887 0.1535 ( 2992 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8993 -3.8987 -3.1270 -3.1264 -3.0552 -3.0533 -2.9147 -2.9145 -1.8886 -1.8833 -1.5685 -1.5649 4.9782 4.9837 5.6633 5.6638 6.2078 6.2248 7.3923 7.3924 7.7236 7.7319 8.7878 8.7972 9.0485 9.0492 10.3377 10.3535 11.2475 11.2650 13.7730 13.7818 13.8775 13.8832 14.3945 14.4431 k = 0.5000 0.2887 0.1433 ( 2992 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8994 -3.8987 -3.1271 -3.1263 -3.0553 -3.0532 -2.9148 -2.9145 -1.8918 -1.8858 -1.5652 -1.5611 4.9683 4.9743 5.6753 5.6757 6.1820 6.2018 7.3935 7.3935 7.7788 7.7880 8.7818 8.7926 9.0461 9.0470 10.3045 10.3223 11.2379 11.2579 13.7676 13.7795 13.8553 13.8595 14.3565 14.4074 k = 0.5000 0.2887 0.1330 ( 2994 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8994 -3.8987 -3.1271 -3.1263 -3.0554 -3.0531 -2.9149 -2.9146 -1.8952 -1.8887 -1.5614 -1.5571 4.9577 4.9640 5.6878 5.6895 6.1549 6.1772 7.3947 7.3948 7.8407 7.8505 8.7753 8.7872 9.0434 9.0444 10.2657 10.2849 11.2285 11.2502 13.7592 13.7757 13.8302 13.8304 14.3250 14.3760 k = 0.5000 0.2887 0.1228 ( 2988 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8995 -3.8986 -3.1271 -3.1262 -3.0554 -3.0529 -2.9149 -2.9146 -1.8987 -1.8919 -1.5574 -1.5529 4.9467 4.9531 5.7009 5.7043 6.1272 6.1519 7.3961 7.3962 7.9083 7.9184 8.7684 8.7811 9.0405 9.0417 10.2214 10.2414 11.2195 11.2424 13.7438 13.7669 13.7999 13.8071 14.3008 14.3502 k = 0.5000 0.2887 0.1126 ( 2988 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8995 -3.8986 -3.1271 -3.1262 -3.0555 -3.0529 -2.9150 -2.9146 -1.9022 -1.8952 -1.5531 -1.5486 4.9355 4.9419 5.7143 5.7196 6.0997 6.1267 7.3976 7.3976 7.9804 7.9906 8.7613 8.7746 9.0375 9.0388 10.1720 10.1923 11.2113 11.2348 13.7174 13.7399 13.7833 13.7910 14.2834 14.3299 k = 0.5000 0.2887 0.1023 ( 2996 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8996 -3.8987 -3.1272 -3.1263 -3.0555 -3.0529 -2.9152 -2.9148 -1.9056 -1.8987 -1.5488 -1.5443 4.9244 4.9306 5.7275 5.7352 6.0731 6.1021 7.3990 7.3991 8.0560 8.0660 8.7542 8.7677 9.0345 9.0359 10.1180 10.1379 11.2041 11.2275 13.6819 13.6994 13.7774 13.7817 14.2718 14.3146 k = 0.5000 0.2887 0.0921 ( 2996 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8996 -3.8988 -3.1272 -3.1263 -3.0555 -3.0529 -2.9153 -2.9149 -1.9088 -1.9021 -1.5445 -1.5402 4.9137 4.9196 5.7404 5.7507 6.0478 6.0786 7.4005 7.4006 8.1340 8.1437 8.7474 8.7606 9.0315 9.0330 10.0599 10.0790 11.1981 11.2207 13.6426 13.6561 13.7739 13.7758 14.2648 14.3034 k = 0.5000 0.2887 0.0819 ( 3000 PWs) bands (ev): -43.7558 -43.7558 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9489 -3.9488 -3.8997 -3.8989 -3.1271 -3.1263 -3.0555 -3.0530 -2.9154 -2.9150 -1.9119 -1.9055 -1.5403 -1.5363 4.9036 4.9090 5.7528 5.7656 6.0243 6.0565 7.4020 7.4020 8.2132 8.2225 8.7409 8.7536 9.0286 9.0302 9.9986 10.0165 11.1932 11.2146 13.6028 13.6133 13.7710 13.7716 14.2610 14.2953 k = 0.5000 0.2887 0.0716 ( 2996 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8997 -3.8989 -3.1271 -3.1263 -3.0554 -3.0530 -2.9154 -2.9150 -1.9146 -1.9087 -1.5364 -1.5326 4.8942 4.8992 5.7643 5.7797 6.0031 6.0362 7.4034 7.4034 8.2923 8.3010 8.7350 8.7469 9.0260 9.0277 9.9352 9.9515 11.1894 11.2092 13.5646 13.5729 13.7683 13.7685 14.2595 14.2895 k = 0.5000 0.2887 0.0614 ( 2990 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8996 -3.8989 -3.1269 -3.1262 -3.0552 -3.0531 -2.9154 -2.9151 -1.9170 -1.9117 -1.5327 -1.5294 4.8859 4.8902 5.7750 5.7924 5.9845 6.0178 7.4047 7.4047 8.3698 8.3778 8.7300 8.7408 9.0237 9.0255 9.8711 9.8856 11.1867 11.2044 13.5295 13.5360 13.7657 13.7662 14.2597 14.2852 k = 0.5000 0.2887 0.0512 ( 2986 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8996 -3.8990 -3.1269 -3.1263 -3.0550 -3.0531 -2.9154 -2.9151 -1.9190 -1.9144 -1.5295 -1.5266 4.8786 4.8823 5.7847 5.8033 5.9690 6.0013 7.4058 7.4059 8.4437 8.4508 8.7262 8.7355 9.0219 9.0237 9.8081 9.8206 11.1850 11.2002 13.4984 13.5035 13.7635 13.7643 14.2609 14.2820 k = 0.5000 0.2887 0.0409 ( 2986 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8995 -3.8990 -3.1268 -3.1263 -3.0548 -3.0533 -2.9155 -2.9152 -1.9205 -1.9168 -1.5267 -1.5243 4.8726 4.8756 5.7935 5.8119 5.9570 5.9867 7.4068 7.4069 8.5113 8.5175 8.7239 8.7314 9.0206 9.0224 9.7485 9.7589 11.1841 11.1965 13.4722 13.4760 13.7619 13.7626 14.2626 14.2795 k = 0.5000 0.2887 0.0307 ( 2990 PWs) bands (ev): -43.7557 -43.7557 -21.4488 -21.4488 -19.4696 -19.4696 -19.2669 -19.2669 -3.9488 -3.9488 -3.8995 -3.8991 -3.1268 -3.1264 -3.0547 -3.0535 -2.9155 -2.9153 -1.9217 -1.9188 -1.5243 -1.5225 4.8679 4.8702 5.8013 5.8178 5.9490 5.9741 7.4076 7.4076 8.5691 8.5743 8.7236 8.7292 9.0199 9.0216 9.6957 9.7036 11.1839 11.1934 13.4514 13.4542 13.7606 13.7612 14.2647 14.2773 k = 0.5000 0.2887 0.0205 ( 2980 PWs) bands (ev): -43.7556 -43.7556 -21.4488 -21.4488 -19.4696 -19.4695 -19.2669 -19.2669 -3.9487 -3.9487 -3.8994 -3.8991 -3.1266 -3.1264 -3.0544 -3.0536 -2.9154 -2.9153 -1.9224 -1.9204 -1.5226 -1.5214 4.8646 4.8661 5.8081 5.8207 5.9451 5.9635 7.4082 7.4082 8.6130 8.6168 8.7260 8.7295 9.0199 9.0212 9.6534 9.6588 11.1843 11.1907 13.4364 13.4382 13.7598 13.7602 14.2670 14.2753 k = 0.5000 0.2887 0.0102 ( 2978 PWs) bands (ev): -43.7555 -43.7555 -21.4488 -21.4488 -19.4695 -19.4695 -19.2669 -19.2669 -3.9487 -3.9487 -3.8993 -3.8992 -3.1265 -3.1264 -3.0542 -3.0538 -2.9154 -2.9154 -1.9226 -1.9216 -1.5214 -1.5208 4.8627 4.8635 5.8138 5.8206 5.9451 5.9548 7.4086 7.4086 8.6395 8.6416 8.7302 8.7319 9.0202 9.0210 9.6261 9.6288 11.1852 11.1885 13.4275 13.4284 13.7593 13.7595 14.2692 14.2734 k = 0.5000 0.2887-0.0000 ( 2974 PWs) bands (ev): -43.7555 -43.7555 -21.4488 -21.4488 -19.4695 -19.4695 -19.2669 -19.2669 -3.9487 -3.9487 -3.8992 -3.8992 -3.1264 -3.1264 -3.0539 -3.0539 -2.9154 -2.9154 -1.9223 -1.9223 -1.5208 -1.5208 4.8624 4.8624 5.8181 5.8181 5.9486 5.9486 7.4087 7.4087 8.6487 8.6487 8.7330 8.7330 9.0207 9.0207 9.6174 9.6174 11.1866 11.1866 13.4248 13.4248 13.7592 13.7592 14.2713 14.2713 k = 0.3333 0.5774-0.0000 ( 2943 PWs) bands (ev): -43.7505 -43.7505 -21.4789 -21.4364 -19.4827 -19.3970 -19.3559 -19.3288 -3.9159 -3.8983 -3.8885 -3.8884 -3.0998 -3.0677 -3.0367 -3.0291 -3.0203 -3.0150 -1.7428 -1.6731 -1.4327 -1.4230 5.4398 5.4573 5.8360 5.8680 6.3443 6.3909 6.5232 6.5896 7.5186 7.5623 8.5234 8.5403 9.4576 9.4639 10.7350 10.8141 11.7515 11.7536 11.8085 11.9642 12.6912 12.6940 14.2401 14.2794 k = 0.3333 0.5774 0.0102 ( 2949 PWs) bands (ev): -43.7505 -43.7505 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3288 -3.9159 -3.8983 -3.8886 -3.8885 -3.0999 -3.0678 -3.0367 -3.0292 -3.0203 -3.0151 -1.7426 -1.6728 -1.4329 -1.4233 5.4395 5.4569 5.8369 5.8689 6.3458 6.3923 6.5239 6.5903 7.5152 7.5588 8.5197 8.5368 9.4617 9.4680 10.7353 10.8147 11.7505 11.7558 11.8048 11.9686 12.6908 12.6937 14.2458 14.2854 k = 0.3333 0.5774 0.0205 ( 2955 PWs) bands (ev): -43.7506 -43.7506 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3288 -3.9160 -3.8984 -3.8886 -3.8885 -3.0999 -3.0678 -3.0369 -3.0292 -3.0204 -3.0151 -1.7420 -1.6721 -1.4336 -1.4241 5.4384 5.4558 5.8393 5.8713 6.3501 6.3965 6.5259 6.5923 7.5053 7.5486 8.5085 8.5263 9.4737 9.4804 10.7363 10.8164 11.7411 11.7686 11.7938 11.9815 12.6899 12.6928 14.2628 14.3034 k = 0.3333 0.5774 0.0307 ( 2958 PWs) bands (ev): -43.7506 -43.7506 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3288 -3.9160 -3.8984 -3.8886 -3.8885 -3.0999 -3.0678 -3.0369 -3.0292 -3.0204 -3.0151 -1.7410 -1.6710 -1.4348 -1.4254 5.4366 5.4539 5.8433 5.8754 6.3572 6.4034 6.5292 6.5956 7.4892 7.5321 8.4903 8.5091 9.4932 9.5005 10.7379 10.8194 11.7259 11.7761 11.7895 12.0026 12.6883 12.6914 14.2908 14.3329 k = 0.3333 0.5774 0.0409 ( 2982 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1002 -3.0680 -3.0371 -3.0293 -3.0206 -3.0153 -1.7396 -1.6694 -1.4364 -1.4273 5.4342 5.4514 5.8488 5.8810 6.3671 6.4129 6.5336 6.6000 7.4676 7.5098 8.4654 8.4856 9.5196 9.5276 10.7402 10.8235 11.7054 11.7523 11.8179 12.0313 12.6861 12.6895 14.3290 14.3732 k = 0.3333 0.5774 0.0512 ( 2985 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1002 -3.0680 -3.0372 -3.0293 -3.0206 -3.0153 -1.7379 -1.6673 -1.4384 -1.4296 5.4312 5.4483 5.8558 5.8881 6.3796 6.4250 6.5391 6.6055 7.4411 7.4826 8.4347 8.4566 9.5520 9.5608 10.7431 10.8289 11.6803 11.7230 11.8531 12.0669 12.6834 12.6870 14.3769 14.4236 k = 0.3333 0.5774 0.0614 ( 2985 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1002 -3.0680 -3.0372 -3.0293 -3.0206 -3.0153 -1.7359 -1.6649 -1.4407 -1.4324 5.4278 5.4447 5.8642 5.8967 6.3945 6.4395 6.5455 6.6120 7.4107 7.4514 8.3988 8.4227 9.5893 9.5991 10.7467 10.8355 11.6515 11.6893 11.8941 12.1086 12.6801 12.6840 14.4334 14.4830 k = 0.3333 0.5774 0.0716 ( 2985 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1002 -3.0680 -3.0372 -3.0292 -3.0205 -3.0153 -1.7336 -1.6621 -1.4434 -1.4355 5.4239 5.4408 5.8739 5.9065 6.4118 6.4562 6.5527 6.6192 7.3771 7.4171 8.3587 8.3847 9.6306 9.6414 10.7509 10.8435 11.6197 11.6519 11.9399 12.1552 12.6763 12.6805 14.4975 14.5505 k = 0.3333 0.5774 0.0819 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1003 -3.0681 -3.0374 -3.0292 -3.0206 -3.0153 -1.7310 -1.6589 -1.4464 -1.4391 5.4198 5.4365 5.8846 5.9174 6.4311 6.4748 6.5604 6.6269 7.3415 7.3807 8.3152 8.3436 9.6746 9.6865 10.7557 10.8527 11.5859 11.6117 11.9895 12.2059 12.6719 12.6765 14.5681 14.6249 k = 0.3333 0.5774 0.0921 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1004 -3.0680 -3.0374 -3.0291 -3.0205 -3.0153 -1.7283 -1.6555 -1.4496 -1.4429 5.4155 5.4321 5.8963 5.9294 6.4521 6.4951 6.5684 6.6351 7.3045 7.3429 8.2694 8.3001 9.7204 9.7333 10.7610 10.8634 11.5508 11.5695 12.0415 12.2595 12.6672 12.6721 14.6439 14.7050 k = 0.3333 0.5774 0.1023 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8986 -3.8888 -3.8887 -3.1004 -3.0680 -3.0374 -3.0291 -3.0205 -3.0153 -1.7254 -1.6519 -1.4529 -1.4470 5.4112 5.4276 5.9087 5.9420 6.4745 6.5166 6.5765 6.6434 7.2671 7.3048 8.2223 8.2554 9.7668 9.7807 10.7669 10.8755 11.5153 11.5261 12.0949 12.3147 12.6621 12.6673 14.7231 14.7897 k = 0.3333 0.5774 0.1126 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8887 -3.1004 -3.0680 -3.0375 -3.0291 -3.0204 -3.0153 -1.7224 -1.6481 -1.4563 -1.4512 5.4069 5.4232 5.9216 5.9552 6.4978 6.5391 6.5846 6.6517 7.2300 7.2671 8.1749 8.2103 9.8127 9.8277 10.7732 10.8891 11.4802 11.4821 12.1483 12.3704 12.6567 12.6623 14.8033 14.8773 k = 0.3333 0.5774 0.1228 ( 2982 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8984 -3.8888 -3.8887 -3.1003 -3.0679 -3.0375 -3.0290 -3.0204 -3.0153 -1.7195 -1.6443 -1.4597 -1.4555 5.4028 5.4189 5.9347 5.9685 6.5216 6.5619 6.5925 6.6597 7.1942 7.2307 8.1282 8.1658 9.8571 9.8731 10.7799 10.9042 11.4382 11.4461 12.2006 12.4252 12.6513 12.6571 14.8787 14.9655 k = 0.3333 0.5774 0.1330 ( 2985 PWs) bands (ev): -43.7509 -43.7509 -21.4789 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8985 -3.8888 -3.8887 -3.1004 -3.0679 -3.0376 -3.0289 -3.0204 -3.0153 -1.7166 -1.6405 -1.4630 -1.4597 5.3989 5.4149 5.9476 5.9818 6.5453 6.5846 6.5998 6.6673 7.1603 7.1963 8.0832 8.1230 9.8990 9.9160 10.7867 10.9207 11.3949 11.4138 12.2505 12.4779 12.6458 12.6518 14.9337 15.0363 k = 0.3333 0.5774 0.1433 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8887 -3.1004 -3.0679 -3.0377 -3.0289 -3.0205 -3.0153 -1.7139 -1.6368 -1.4661 -1.4638 5.3953 5.4112 5.9600 5.9945 6.5682 6.6065 6.6065 6.6744 7.1290 7.1646 8.0410 8.0830 9.9376 9.9555 10.7935 10.9388 11.3528 11.3839 12.2968 12.5272 12.6406 12.6468 14.9473 15.0019 k = 0.3333 0.5774 0.1535 ( 2991 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4365 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8887 -3.1004 -3.0679 -3.0378 -3.0289 -3.0204 -3.0153 -1.7114 -1.6333 -1.4689 -1.4675 5.3921 5.4080 5.9715 6.0063 6.5895 6.6124 6.6269 6.6806 7.1011 7.1364 8.0028 8.0467 9.9719 9.9905 10.8001 10.9581 11.3123 11.3571 12.3384 12.5718 12.6357 12.6421 14.9335 14.9715 k = 0.3333 0.5774 0.1637 ( 2994 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4365 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8887 -3.1005 -3.0679 -3.0378 -3.0289 -3.0204 -3.0153 -1.7092 -1.6303 -1.4714 -1.4709 5.3895 5.4053 5.9817 6.0167 6.6086 6.6174 6.6450 6.6859 7.0771 7.1122 7.9696 8.0151 10.0011 10.0205 10.8062 10.9785 11.2742 11.3340 12.3741 12.6103 12.6314 12.6380 14.9135 14.9459 k = 0.3333 0.5774 0.1740 ( 2994 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4365 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8887 -3.1005 -3.0679 -3.0378 -3.0288 -3.0204 -3.0153 -1.7074 -1.6277 -1.4737 -1.4734 5.3873 5.4031 5.9901 6.0254 6.6214 6.6244 6.6601 6.6901 7.0578 7.0927 7.9424 7.9894 10.0246 10.0446 10.8114 10.9993 11.2393 11.3153 12.4030 12.6278 12.6345 12.6417 14.8949 14.9254 k = 0.3333 0.5774 0.1842 ( 2994 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4365 -19.4828 -19.3970 -19.3559 -19.3289 -3.9162 -3.8985 -3.8888 -3.8888 -3.1006 -3.0680 -3.0377 -3.0288 -3.0203 -3.0154 -1.7061 -1.6258 -1.4758 -1.4749 5.3858 5.4015 5.9965 6.0319 6.6243 6.6364 6.6715 6.6932 7.0436 7.0784 7.9223 7.9702 10.0419 10.0622 10.8154 11.0190 11.2094 11.3014 12.4243 12.6252 12.6319 12.6650 14.8806 14.9105 k = 0.3333 0.5774 0.1944 ( 2988 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8984 -3.8888 -3.8888 -3.1006 -3.0679 -3.0376 -3.0288 -3.0202 -3.0154 -1.7053 -1.6246 -1.4771 -1.4758 5.3848 5.4005 6.0004 6.0359 6.6260 6.6439 6.6786 6.6951 7.0349 7.0697 7.9098 7.9585 10.0524 10.0730 10.8179 11.0347 11.1875 11.2929 12.4373 12.6236 12.6303 12.6792 14.8716 14.9015 k = 0.3333 0.5774 0.2047 ( 2988 PWs) bands (ev): -43.7510 -43.7510 -21.4790 -21.4364 -19.4828 -19.3970 -19.3559 -19.3289 -3.9161 -3.8984 -3.8888 -3.8888 -3.1006 -3.0679 -3.0376 -3.0288 -3.0202 -3.0154 -1.7050 -1.6242 -1.4775 -1.4761 5.3845 5.4002 6.0017 6.0373 6.6266 6.6465 6.6810 6.6957 7.0320 7.0667 7.9056 7.9545 10.0559 10.0766 10.8188 11.0410 11.1791 11.2900 12.4417 12.6230 12.6298 12.6841 14.8686 14.8984 Writing output data file NbInS2.save init_run : 3.43s CPU 14.02s WALL ( 1 calls) electrons : 394.14s CPU 400.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 394.12s CPU 399.68s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.79s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.14s CPU 0.56s WALL ( 1 calls) newd : 0.41s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 369 calls) cegterg : 362.26s CPU 364.89s WALL ( 517 calls) Called by sum_band: Called by *egterg: h_psi : 165.78s CPU 171.22s WALL ( 8432 calls) s_psi : 22.53s CPU 22.85s WALL ( 8432 calls) g_psi : 0.32s CPU 0.35s WALL ( 7546 calls) cdiaghg : 128.30s CPU 126.85s WALL ( 7915 calls) cegterg:over : 35.37s CPU 32.97s WALL ( 7546 calls) cegterg:upda : 4.30s CPU 6.51s WALL ( 7546 calls) cegterg:last : 4.24s CPU 4.86s WALL ( 1625 calls) Called by h_psi: h_psi:vloc : 124.47s CPU 128.50s WALL ( 8432 calls) h_psi:vnl : 41.22s CPU 42.29s WALL ( 8432 calls) add_vuspsi : 13.71s CPU 16.64s WALL ( 8432 calls) General routines calbec : 27.49s CPU 25.52s WALL ( 8432 calls) fft : 0.33s CPU 1.38s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 120.48s CPU 122.86s WALL ( 971076 calls) interpolate : 0.18s CPU 0.20s WALL ( 4 calls) davcio : 0.04s CPU 1.21s WALL ( 738 calls) Parallel routines fft_scatter : 83.24s CPU 81.68s WALL ( 971099 calls) PWSCF : 7m30.03s CPU 8m50.14s WALL This run was terminated on: 15:39:25 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=