Program PWSCF v.5.1.1 starts on 9Oct2015 at 15:19:22 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: ./TaInS2.save/ 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 3 845 449 73 Max 16 11 4 858 467 81 Sum 733 499 151 40811 22023 3727 bravais-lattice index = 14 lattice parameter (alat) = 6.3117 a.u. unit-cell volume = 558.7286 (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 = 44.0000 Ry charge density cutoff = 265.0000 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)= 2.565868 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 2.565868 ) 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 0.389732 ) 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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) Ta 13.00 180.94790 Ta( 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= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0027322 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027322 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0027322 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0027322 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0027322 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0027322 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0027322 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0027322 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0027322 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0027322 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0027322 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027322 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0027322 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0027322 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0027322 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0027322 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0027322 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0027322 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0027322 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0027322 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0027322 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0027322 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027322 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0027322 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0027322 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0027322 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0027322 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0027322 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0027322 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0027322 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0027322 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0027322 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0027322 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027322 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0027322 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0027322 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0027322 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0027322 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0027322 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0027322 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0027322 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0027322 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0027322 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0027322 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0027322 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0027322 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0027322 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0027322 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0027322 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0027322 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0027322 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027322 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0027322 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0027322 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0027322 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0027322 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0027322 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0027322 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0027322 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027322 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0027322 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0027322 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027322 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0027322 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0027322 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0027322 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0027322 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0027322 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0027322 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0027322 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 91) = ( 0.3280423 0.5681860 -0.0000000), wk = 0.0027322 k( 92) = ( 0.3227513 0.5590217 -0.0000000), wk = 0.0027322 k( 93) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0027322 k( 94) = ( 0.3121693 0.5406931 -0.0000000), wk = 0.0027322 k( 95) = ( 0.3068783 0.5315288 -0.0000000), wk = 0.0027322 k( 96) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0027322 k( 97) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0027322 k( 98) = ( 0.2910053 0.5040359 -0.0000000), wk = 0.0027322 k( 99) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0027322 k( 100) = ( 0.2804233 0.4857074 -0.0000000), wk = 0.0027322 k( 101) = ( 0.2751323 0.4765431 -0.0000000), wk = 0.0027322 k( 102) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0027322 k( 103) = ( 0.2645503 0.4582145 -0.0000000), wk = 0.0027322 k( 104) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0027322 k( 105) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0027322 k( 106) = ( 0.2486772 0.4307216 -0.0000000), wk = 0.0027322 k( 107) = ( 0.2433862 0.4215573 -0.0000000), wk = 0.0027322 k( 108) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0027322 k( 109) = ( 0.2328042 0.4032288 -0.0000000), wk = 0.0027322 k( 110) = ( 0.2275132 0.3940645 -0.0000000), wk = 0.0027322 k( 111) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0027322 k( 112) = ( 0.2169312 0.3757359 -0.0000000), wk = 0.0027322 k( 113) = ( 0.2116402 0.3665716 -0.0000000), wk = 0.0027322 k( 114) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0027322 k( 115) = ( 0.2010582 0.3482430 -0.0000000), wk = 0.0027322 k( 116) = ( 0.1957672 0.3390787 -0.0000000), wk = 0.0027322 k( 117) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0027322 k( 118) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0027322 k( 119) = ( 0.1798942 0.3115859 -0.0000000), wk = 0.0027322 k( 120) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0027322 k( 121) = ( 0.1693122 0.2932573 -0.0000000), wk = 0.0027322 k( 122) = ( 0.1640212 0.2840930 -0.0000000), wk = 0.0027322 k( 123) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0027322 k( 124) = ( 0.1534391 0.2657644 -0.0000000), wk = 0.0027322 k( 125) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0027322 k( 126) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0027322 k( 127) = ( 0.1375661 0.2382715 -0.0000000), wk = 0.0027322 k( 128) = ( 0.1322751 0.2291072 -0.0000000), wk = 0.0027322 k( 129) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0027322 k( 130) = ( 0.1216931 0.2107787 -0.0000000), wk = 0.0027322 k( 131) = ( 0.1164021 0.2016144 -0.0000000), wk = 0.0027322 k( 132) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0027322 k( 133) = ( 0.1058201 0.1832858 -0.0000000), wk = 0.0027322 k( 134) = ( 0.1005291 0.1741215 -0.0000000), wk = 0.0027322 k( 135) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0027322 k( 136) = ( 0.0899471 0.1557929 -0.0000000), wk = 0.0027322 k( 137) = ( 0.0846561 0.1466286 -0.0000000), wk = 0.0027322 k( 138) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0027322 k( 139) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0027322 k( 140) = ( 0.0687831 0.1191358 -0.0000000), wk = 0.0027322 k( 141) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0027322 k( 142) = ( 0.0582011 0.1008072 -0.0000000), wk = 0.0027322 k( 143) = ( 0.0529101 0.0916429 -0.0000000), wk = 0.0027322 k( 144) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0027322 k( 145) = ( 0.0423280 0.0733143 -0.0000000), wk = 0.0027322 k( 146) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0027322 k( 147) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0027322 k( 148) = ( 0.0264550 0.0458215 -0.0000000), wk = 0.0027322 k( 149) = ( 0.0211640 0.0366572 -0.0000000), wk = 0.0027322 k( 150) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0027322 k( 151) = ( 0.0105820 0.0183286 -0.0000000), wk = 0.0027322 k( 152) = ( 0.0052910 0.0091643 -0.0000000), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.0102561), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0205122), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0307683), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.0410244), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.0512805), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.0615366), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.0717927), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.0820488), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.0923049), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.1025610), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.1128170), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.1230731), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.1333292), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.1435853), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.1538414), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.1640975), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.1743536), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.1846097), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.1948658), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.1948658), wk = 0.0027322 k( 175) = ( 0.0090909 0.0052486 0.1948658), wk = 0.0027322 k( 176) = ( 0.0181818 0.0104973 0.1948658), wk = 0.0027322 k( 177) = ( 0.0272727 0.0157459 0.1948658), wk = 0.0027322 k( 178) = ( 0.0363636 0.0209946 0.1948658), wk = 0.0027322 k( 179) = ( 0.0454546 0.0262432 0.1948658), wk = 0.0027322 k( 180) = ( 0.0545455 0.0314918 0.1948658), wk = 0.0027322 k( 181) = ( 0.0636364 0.0367405 0.1948658), wk = 0.0027322 k( 182) = ( 0.0727273 0.0419891 0.1948658), wk = 0.0027322 k( 183) = ( 0.0818182 0.0472377 0.1948658), wk = 0.0027322 k( 184) = ( 0.0909091 0.0524864 0.1948658), wk = 0.0027322 k( 185) = ( 0.1000000 0.0577350 0.1948658), wk = 0.0027322 k( 186) = ( 0.1090909 0.0629837 0.1948658), wk = 0.0027322 k( 187) = ( 0.1181818 0.0682323 0.1948658), wk = 0.0027322 k( 188) = ( 0.1272727 0.0734809 0.1948658), wk = 0.0027322 k( 189) = ( 0.1363636 0.0787296 0.1948658), wk = 0.0027322 k( 190) = ( 0.1454545 0.0839782 0.1948658), wk = 0.0027322 k( 191) = ( 0.1545455 0.0892269 0.1948658), wk = 0.0027322 k( 192) = ( 0.1636364 0.0944755 0.1948658), wk = 0.0027322 k( 193) = ( 0.1727273 0.0997241 0.1948658), wk = 0.0027322 k( 194) = ( 0.1818182 0.1049728 0.1948658), wk = 0.0027322 k( 195) = ( 0.1909091 0.1102214 0.1948658), wk = 0.0027322 k( 196) = ( 0.2000000 0.1154701 0.1948658), wk = 0.0027322 k( 197) = ( 0.2090909 0.1207187 0.1948658), wk = 0.0027322 k( 198) = ( 0.2181818 0.1259673 0.1948658), wk = 0.0027322 k( 199) = ( 0.2272727 0.1312160 0.1948658), wk = 0.0027322 k( 200) = ( 0.2363636 0.1364646 0.1948658), wk = 0.0027322 k( 201) = ( 0.2454545 0.1417133 0.1948658), wk = 0.0027322 k( 202) = ( 0.2545455 0.1469619 0.1948658), wk = 0.0027322 k( 203) = ( 0.2636364 0.1522105 0.1948658), wk = 0.0027322 k( 204) = ( 0.2727273 0.1574592 0.1948658), wk = 0.0027322 k( 205) = ( 0.2818182 0.1627078 0.1948658), wk = 0.0027322 k( 206) = ( 0.2909091 0.1679564 0.1948658), wk = 0.0027322 k( 207) = ( 0.3000000 0.1732051 0.1948658), wk = 0.0027322 k( 208) = ( 0.3090909 0.1784537 0.1948658), wk = 0.0027322 k( 209) = ( 0.3181818 0.1837024 0.1948658), wk = 0.0027322 k( 210) = ( 0.3272727 0.1889510 0.1948658), wk = 0.0027322 k( 211) = ( 0.3363636 0.1941996 0.1948658), wk = 0.0027322 k( 212) = ( 0.3454546 0.1994483 0.1948658), wk = 0.0027322 k( 213) = ( 0.3545454 0.2046969 0.1948658), wk = 0.0027322 k( 214) = ( 0.3636364 0.2099456 0.1948658), wk = 0.0027322 k( 215) = ( 0.3727273 0.2151942 0.1948658), wk = 0.0027322 k( 216) = ( 0.3818182 0.2204428 0.1948658), wk = 0.0027322 k( 217) = ( 0.3909091 0.2256915 0.1948658), wk = 0.0027322 k( 218) = ( 0.4000000 0.2309401 0.1948658), wk = 0.0027322 k( 219) = ( 0.4090909 0.2361887 0.1948658), wk = 0.0027322 k( 220) = ( 0.4181818 0.2414374 0.1948658), wk = 0.0027322 k( 221) = ( 0.4272727 0.2466860 0.1948658), wk = 0.0027322 k( 222) = ( 0.4363636 0.2519347 0.1948658), wk = 0.0027322 k( 223) = ( 0.4454546 0.2571833 0.1948658), wk = 0.0027322 k( 224) = ( 0.4545455 0.2624319 0.1948658), wk = 0.0027322 k( 225) = ( 0.4636364 0.2676806 0.1948658), wk = 0.0027322 k( 226) = ( 0.4727273 0.2729292 0.1948658), wk = 0.0027322 k( 227) = ( 0.4818182 0.2781779 0.1948658), wk = 0.0027322 k( 228) = ( 0.4909091 0.2834265 0.1948658), wk = 0.0027322 k( 229) = ( 0.5000000 0.2886751 0.1948658), wk = 0.0027322 k( 230) = ( 0.5000000 0.2886751 0.1948658), wk = 0.0027322 k( 231) = ( 0.4947917 0.2976962 0.1948658), wk = 0.0027322 k( 232) = ( 0.4895833 0.3067173 0.1948658), wk = 0.0027322 k( 233) = ( 0.4843750 0.3157384 0.1948658), wk = 0.0027322 k( 234) = ( 0.4791667 0.3247595 0.1948658), wk = 0.0027322 k( 235) = ( 0.4739583 0.3337806 0.1948658), wk = 0.0027322 k( 236) = ( 0.4687500 0.3428017 0.1948658), wk = 0.0027322 k( 237) = ( 0.4635417 0.3518228 0.1948658), wk = 0.0027322 k( 238) = ( 0.4583333 0.3608439 0.1948658), wk = 0.0027322 k( 239) = ( 0.4531250 0.3698650 0.1948658), wk = 0.0027322 k( 240) = ( 0.4479167 0.3788861 0.1948658), wk = 0.0027322 k( 241) = ( 0.4427083 0.3879072 0.1948658), wk = 0.0027322 k( 242) = ( 0.4375000 0.3969283 0.1948658), wk = 0.0027322 k( 243) = ( 0.4322917 0.4059494 0.1948658), wk = 0.0027322 k( 244) = ( 0.4270833 0.4149705 0.1948658), wk = 0.0027322 k( 245) = ( 0.4218750 0.4239916 0.1948658), wk = 0.0027322 k( 246) = ( 0.4166667 0.4330127 0.1948658), wk = 0.0027322 k( 247) = ( 0.4114583 0.4420338 0.1948658), wk = 0.0027322 k( 248) = ( 0.4062500 0.4510549 0.1948658), wk = 0.0027322 k( 249) = ( 0.4010417 0.4600760 0.1948658), wk = 0.0027322 k( 250) = ( 0.3958333 0.4690971 0.1948658), wk = 0.0027322 k( 251) = ( 0.3906250 0.4781182 0.1948658), wk = 0.0027322 k( 252) = ( 0.3854167 0.4871393 0.1948658), wk = 0.0027322 k( 253) = ( 0.3802083 0.4961604 0.1948658), wk = 0.0027322 k( 254) = ( 0.3750000 0.5051815 0.1948658), wk = 0.0027322 k( 255) = ( 0.3697917 0.5142026 0.1948658), wk = 0.0027322 k( 256) = ( 0.3645833 0.5232237 0.1948658), wk = 0.0027322 k( 257) = ( 0.3593750 0.5322448 0.1948658), wk = 0.0027322 k( 258) = ( 0.3541667 0.5412659 0.1948658), wk = 0.0027322 k( 259) = ( 0.3489583 0.5502870 0.1948658), wk = 0.0027322 k( 260) = ( 0.3437500 0.5593081 0.1948658), wk = 0.0027322 k( 261) = ( 0.3385417 0.5683292 0.1948658), wk = 0.0027322 k( 262) = ( 0.3333333 0.5773503 0.1948658), wk = 0.0027322 k( 263) = ( 0.3333333 0.5773503 0.1948658), wk = 0.0027322 k( 264) = ( 0.3280423 0.5681860 0.1948658), wk = 0.0027322 k( 265) = ( 0.3227513 0.5590217 0.1948658), wk = 0.0027322 k( 266) = ( 0.3174603 0.5498574 0.1948658), wk = 0.0027322 k( 267) = ( 0.3121693 0.5406931 0.1948658), wk = 0.0027322 k( 268) = ( 0.3068783 0.5315288 0.1948658), wk = 0.0027322 k( 269) = ( 0.3015873 0.5223645 0.1948658), wk = 0.0027322 k( 270) = ( 0.2962963 0.5132002 0.1948658), wk = 0.0027322 k( 271) = ( 0.2910053 0.5040359 0.1948658), wk = 0.0027322 k( 272) = ( 0.2857143 0.4948717 0.1948658), wk = 0.0027322 k( 273) = ( 0.2804233 0.4857074 0.1948658), wk = 0.0027322 k( 274) = ( 0.2751323 0.4765431 0.1948658), wk = 0.0027322 k( 275) = ( 0.2698413 0.4673788 0.1948658), wk = 0.0027322 k( 276) = ( 0.2645503 0.4582145 0.1948658), wk = 0.0027322 k( 277) = ( 0.2592593 0.4490502 0.1948658), wk = 0.0027322 k( 278) = ( 0.2539683 0.4398859 0.1948658), wk = 0.0027322 k( 279) = ( 0.2486772 0.4307216 0.1948658), wk = 0.0027322 k( 280) = ( 0.2433862 0.4215573 0.1948658), wk = 0.0027322 k( 281) = ( 0.2380952 0.4123931 0.1948658), wk = 0.0027322 k( 282) = ( 0.2328042 0.4032288 0.1948658), wk = 0.0027322 k( 283) = ( 0.2275132 0.3940645 0.1948658), wk = 0.0027322 k( 284) = ( 0.2222222 0.3849002 0.1948658), wk = 0.0027322 k( 285) = ( 0.2169312 0.3757359 0.1948658), wk = 0.0027322 k( 286) = ( 0.2116402 0.3665716 0.1948658), wk = 0.0027322 k( 287) = ( 0.2063492 0.3574073 0.1948658), wk = 0.0027322 k( 288) = ( 0.2010582 0.3482430 0.1948658), wk = 0.0027322 k( 289) = ( 0.1957672 0.3390787 0.1948658), wk = 0.0027322 k( 290) = ( 0.1904762 0.3299144 0.1948658), wk = 0.0027322 k( 291) = ( 0.1851852 0.3207502 0.1948658), wk = 0.0027322 k( 292) = ( 0.1798942 0.3115859 0.1948658), wk = 0.0027322 k( 293) = ( 0.1746032 0.3024216 0.1948658), wk = 0.0027322 k( 294) = ( 0.1693122 0.2932573 0.1948658), wk = 0.0027322 k( 295) = ( 0.1640212 0.2840930 0.1948658), wk = 0.0027322 k( 296) = ( 0.1587302 0.2749287 0.1948658), wk = 0.0027322 k( 297) = ( 0.1534391 0.2657644 0.1948658), wk = 0.0027322 k( 298) = ( 0.1481482 0.2566001 0.1948658), wk = 0.0027322 k( 299) = ( 0.1428571 0.2474358 0.1948658), wk = 0.0027322 k( 300) = ( 0.1375661 0.2382715 0.1948658), wk = 0.0027322 k( 301) = ( 0.1322751 0.2291072 0.1948658), wk = 0.0027322 k( 302) = ( 0.1269841 0.2199430 0.1948658), wk = 0.0027322 k( 303) = ( 0.1216931 0.2107787 0.1948658), wk = 0.0027322 k( 304) = ( 0.1164021 0.2016144 0.1948658), wk = 0.0027322 k( 305) = ( 0.1111111 0.1924501 0.1948658), wk = 0.0027322 k( 306) = ( 0.1058201 0.1832858 0.1948658), wk = 0.0027322 k( 307) = ( 0.1005291 0.1741215 0.1948658), wk = 0.0027322 k( 308) = ( 0.0952381 0.1649572 0.1948658), wk = 0.0027322 k( 309) = ( 0.0899471 0.1557929 0.1948658), wk = 0.0027322 k( 310) = ( 0.0846561 0.1466286 0.1948658), wk = 0.0027322 k( 311) = ( 0.0793651 0.1374644 0.1948658), wk = 0.0027322 k( 312) = ( 0.0740741 0.1283001 0.1948658), wk = 0.0027322 k( 313) = ( 0.0687831 0.1191358 0.1948658), wk = 0.0027322 k( 314) = ( 0.0634921 0.1099715 0.1948658), wk = 0.0027322 k( 315) = ( 0.0582011 0.1008072 0.1948658), wk = 0.0027322 k( 316) = ( 0.0529101 0.0916429 0.1948658), wk = 0.0027322 k( 317) = ( 0.0476191 0.0824786 0.1948658), wk = 0.0027322 k( 318) = ( 0.0423280 0.0733143 0.1948658), wk = 0.0027322 k( 319) = ( 0.0370370 0.0641500 0.1948658), wk = 0.0027322 k( 320) = ( 0.0317460 0.0549857 0.1948658), wk = 0.0027322 k( 321) = ( 0.0264550 0.0458215 0.1948658), wk = 0.0027322 k( 322) = ( 0.0211640 0.0366572 0.1948658), wk = 0.0027322 k( 323) = ( 0.0158730 0.0274929 0.1948658), wk = 0.0027322 k( 324) = ( 0.0105820 0.0183286 0.1948658), wk = 0.0027322 k( 325) = ( 0.0052910 0.0091643 0.1948658), wk = 0.0027322 k( 326) = ( 0.0000000 0.0000000 0.1948658), wk = 0.0027322 k( 327) = ( 0.5000000 0.2886751 0.1948658), wk = 0.0027322 k( 328) = ( 0.5000000 0.2886751 0.1846097), wk = 0.0027322 k( 329) = ( 0.5000000 0.2886751 0.1743536), wk = 0.0027322 k( 330) = ( 0.5000000 0.2886751 0.1640975), wk = 0.0027322 k( 331) = ( 0.5000000 0.2886751 0.1538414), wk = 0.0027322 k( 332) = ( 0.5000000 0.2886751 0.1435853), wk = 0.0027322 k( 333) = ( 0.5000000 0.2886751 0.1333292), wk = 0.0027322 k( 334) = ( 0.5000000 0.2886751 0.1230731), wk = 0.0027322 k( 335) = ( 0.5000000 0.2886751 0.1128170), wk = 0.0027322 k( 336) = ( 0.5000000 0.2886751 0.1025610), wk = 0.0027322 k( 337) = ( 0.5000000 0.2886751 0.0923049), wk = 0.0027322 k( 338) = ( 0.5000000 0.2886751 0.0820488), wk = 0.0027322 k( 339) = ( 0.5000000 0.2886751 0.0717927), wk = 0.0027322 k( 340) = ( 0.5000000 0.2886751 0.0615366), wk = 0.0027322 k( 341) = ( 0.5000000 0.2886751 0.0512805), wk = 0.0027322 k( 342) = ( 0.5000000 0.2886751 0.0410244), wk = 0.0027322 k( 343) = ( 0.5000000 0.2886751 0.0307683), wk = 0.0027322 k( 344) = ( 0.5000000 0.2886751 0.0205122), wk = 0.0027322 k( 345) = ( 0.5000000 0.2886751 0.0102561), wk = 0.0027322 k( 346) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027322 k( 347) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027322 k( 348) = ( 0.3333333 0.5773503 0.0102561), wk = 0.0027322 k( 349) = ( 0.3333333 0.5773503 0.0205122), wk = 0.0027322 k( 350) = ( 0.3333333 0.5773503 0.0307683), wk = 0.0027322 k( 351) = ( 0.3333333 0.5773503 0.0410244), wk = 0.0027322 k( 352) = ( 0.3333333 0.5773503 0.0512805), wk = 0.0027322 k( 353) = ( 0.3333333 0.5773503 0.0615366), wk = 0.0027322 k( 354) = ( 0.3333333 0.5773503 0.0717927), wk = 0.0027322 k( 355) = ( 0.3333333 0.5773503 0.0820488), wk = 0.0027322 k( 356) = ( 0.3333333 0.5773503 0.0923049), wk = 0.0027322 k( 357) = ( 0.3333333 0.5773503 0.1025610), wk = 0.0027322 k( 358) = ( 0.3333333 0.5773503 0.1128170), wk = 0.0027322 k( 359) = ( 0.3333333 0.5773503 0.1230731), wk = 0.0027322 k( 360) = ( 0.3333333 0.5773503 0.1333292), wk = 0.0027322 k( 361) = ( 0.3333333 0.5773503 0.1435853), wk = 0.0027322 k( 362) = ( 0.3333333 0.5773503 0.1538414), wk = 0.0027322 k( 363) = ( 0.3333333 0.5773503 0.1640975), wk = 0.0027322 k( 364) = ( 0.3333333 0.5773503 0.1743536), wk = 0.0027322 k( 365) = ( 0.3333333 0.5773503 0.1846097), wk = 0.0027322 k( 366) = ( 0.3333333 0.5773503 0.1948658), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0090909 0.0000000 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0181818 0.0000000 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0272727 -0.0000000 0.0000000), wk = 0.0027322 k( 5) = ( 0.0363636 0.0000000 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0027322 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0027322 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0027322 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0027322 k( 10) = ( 0.0818182 0.0000000 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0027322 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027322 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0027322 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0027322 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0027322 k( 16) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0027322 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0027322 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0027322 k( 19) = ( 0.1636364 0.0000000 -0.0000000), wk = 0.0027322 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0027322 k( 21) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0027322 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0027322 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027322 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0027322 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0027322 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0027322 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0027322 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0027322 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0027322 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0027322 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0027322 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0027322 k( 33) = ( 0.2909091 0.0000000 -0.0000000), wk = 0.0027322 k( 34) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0027322 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0027322 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0027322 k( 37) = ( 0.3272727 0.0000000 0.0000000), wk = 0.0027322 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0027322 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0027322 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0027322 k( 41) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0027322 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0027322 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0027322 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0027322 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027322 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0027322 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0027322 k( 48) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0027322 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0027322 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0027322 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0027322 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0027322 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0027322 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0027322 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 58) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0027322 k( 59) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0027322 k( 60) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0027322 k( 61) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0027322 k( 62) = ( 0.4739583 0.0520833 -0.0000000), wk = 0.0027322 k( 63) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0027322 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0027322 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027322 k( 66) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0027322 k( 67) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0027322 k( 68) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0027322 k( 69) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0027322 k( 70) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0027322 k( 71) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0027322 k( 72) = ( 0.4218750 0.1562500 -0.0000000), wk = 0.0027322 k( 73) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027322 k( 74) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0027322 k( 75) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0027322 k( 76) = ( 0.4010417 0.1979167 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0027322 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0027322 k( 80) = ( 0.3802083 0.2395833 0.0000000), wk = 0.0027322 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0027322 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0027322 k( 83) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0027322 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0027322 k( 85) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0027322 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0027322 k( 87) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0027322 k( 88) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0027322 k( 89) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 90) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 91) = ( 0.3280423 0.3280423 0.0000000), wk = 0.0027322 k( 92) = ( 0.3227513 0.3227513 0.0000000), wk = 0.0027322 k( 93) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0027322 k( 94) = ( 0.3121693 0.3121693 0.0000000), wk = 0.0027322 k( 95) = ( 0.3068783 0.3068783 -0.0000000), wk = 0.0027322 k( 96) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0027322 k( 97) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0027322 k( 98) = ( 0.2910053 0.2910053 0.0000000), wk = 0.0027322 k( 99) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027322 k( 100) = ( 0.2804233 0.2804233 -0.0000000), wk = 0.0027322 k( 101) = ( 0.2751323 0.2751323 0.0000000), wk = 0.0027322 k( 102) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0027322 k( 103) = ( 0.2645503 0.2645503 0.0000000), wk = 0.0027322 k( 104) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0027322 k( 105) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0027322 k( 106) = ( 0.2486772 0.2486773 0.0000000), wk = 0.0027322 k( 107) = ( 0.2433862 0.2433862 0.0000000), wk = 0.0027322 k( 108) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0027322 k( 109) = ( 0.2328042 0.2328042 0.0000000), wk = 0.0027322 k( 110) = ( 0.2275132 0.2275132 0.0000000), wk = 0.0027322 k( 111) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027322 k( 112) = ( 0.2169312 0.2169312 0.0000000), wk = 0.0027322 k( 113) = ( 0.2116402 0.2116402 0.0000000), wk = 0.0027322 k( 114) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0027322 k( 115) = ( 0.2010582 0.2010582 0.0000000), wk = 0.0027322 k( 116) = ( 0.1957672 0.1957672 0.0000000), wk = 0.0027322 k( 117) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0027322 k( 118) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0027322 k( 119) = ( 0.1798942 0.1798942 0.0000000), wk = 0.0027322 k( 120) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0027322 k( 121) = ( 0.1693122 0.1693122 0.0000000), wk = 0.0027322 k( 122) = ( 0.1640212 0.1640212 0.0000000), wk = 0.0027322 k( 123) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0027322 k( 124) = ( 0.1534391 0.1534391 0.0000000), wk = 0.0027322 k( 125) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0027322 k( 126) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0027322 k( 127) = ( 0.1375661 0.1375661 0.0000000), wk = 0.0027322 k( 128) = ( 0.1322751 0.1322751 0.0000000), wk = 0.0027322 k( 129) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0027322 k( 130) = ( 0.1216931 0.1216931 0.0000000), wk = 0.0027322 k( 131) = ( 0.1164021 0.1164021 0.0000000), wk = 0.0027322 k( 132) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027322 k( 133) = ( 0.1058201 0.1058201 0.0000000), wk = 0.0027322 k( 134) = ( 0.1005291 0.1005291 0.0000000), wk = 0.0027322 k( 135) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0027322 k( 136) = ( 0.0899471 0.0899471 0.0000000), wk = 0.0027322 k( 137) = ( 0.0846561 0.0846561 0.0000000), wk = 0.0027322 k( 138) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0027322 k( 139) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0027322 k( 140) = ( 0.0687831 0.0687831 0.0000000), wk = 0.0027322 k( 141) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0027322 k( 142) = ( 0.0582011 0.0582011 0.0000000), wk = 0.0027322 k( 143) = ( 0.0529101 0.0529101 0.0000000), wk = 0.0027322 k( 144) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0027322 k( 145) = ( 0.0423280 0.0423280 0.0000000), wk = 0.0027322 k( 146) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0027322 k( 147) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0027322 k( 148) = ( 0.0264550 0.0264550 -0.0000000), wk = 0.0027322 k( 149) = ( 0.0211640 0.0211640 0.0000000), wk = 0.0027322 k( 150) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0027322 k( 151) = ( 0.0105820 0.0105820 0.0000000), wk = 0.0027322 k( 152) = ( 0.0052910 0.0052910 0.0000000), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 175) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0027322 k( 176) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0027322 k( 177) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0027322 k( 178) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0027322 k( 179) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0027322 k( 180) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0027322 k( 181) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0027322 k( 182) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0027322 k( 183) = ( 0.0818182 0.0000000 0.5000000), wk = 0.0027322 k( 184) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0027322 k( 185) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0027322 k( 186) = ( 0.1090909 0.0000000 0.5000000), wk = 0.0027322 k( 187) = ( 0.1181818 0.0000000 0.5000000), wk = 0.0027322 k( 188) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0027322 k( 189) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0027322 k( 190) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0027322 k( 191) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0027322 k( 192) = ( 0.1636364 0.0000000 0.5000000), wk = 0.0027322 k( 193) = ( 0.1727273 0.0000000 0.5000000), wk = 0.0027322 k( 194) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0027322 k( 195) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0027322 k( 196) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0027322 k( 197) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0027322 k( 198) = ( 0.2181818 0.0000000 0.5000000), wk = 0.0027322 k( 199) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0027322 k( 200) = ( 0.2363636 0.0000000 0.5000000), wk = 0.0027322 k( 201) = ( 0.2454545 0.0000000 0.5000000), wk = 0.0027322 k( 202) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0027322 k( 203) = ( 0.2636364 0.0000000 0.5000000), wk = 0.0027322 k( 204) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0027322 k( 205) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0027322 k( 206) = ( 0.2909091 0.0000000 0.5000000), wk = 0.0027322 k( 207) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027322 k( 208) = ( 0.3090909 0.0000000 0.5000000), wk = 0.0027322 k( 209) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0027322 k( 210) = ( 0.3272727 0.0000000 0.5000000), wk = 0.0027322 k( 211) = ( 0.3363636 0.0000000 0.5000000), wk = 0.0027322 k( 212) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0027322 k( 213) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0027322 k( 214) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0027322 k( 215) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0027322 k( 216) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0027322 k( 217) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0027322 k( 218) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0027322 k( 219) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0027322 k( 220) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0027322 k( 221) = ( 0.4272727 0.0000000 0.5000000), wk = 0.0027322 k( 222) = ( 0.4363636 0.0000000 0.5000000), wk = 0.0027322 k( 223) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0027322 k( 224) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0027322 k( 225) = ( 0.4636364 0.0000000 0.5000000), wk = 0.0027322 k( 226) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0027322 k( 227) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0027322 k( 228) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0027322 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 231) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0027322 k( 232) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0027322 k( 233) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0027322 k( 234) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0027322 k( 235) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0027322 k( 236) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0027322 k( 237) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0027322 k( 238) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027322 k( 239) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0027322 k( 240) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0027322 k( 241) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0027322 k( 242) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0027322 k( 243) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0027322 k( 244) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0027322 k( 245) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0027322 k( 246) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027322 k( 247) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0027322 k( 248) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0027322 k( 249) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0027322 k( 250) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0027322 k( 251) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0027322 k( 252) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0027322 k( 253) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0027322 k( 254) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027322 k( 255) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0027322 k( 256) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0027322 k( 257) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0027322 k( 258) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0027322 k( 259) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0027322 k( 260) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0027322 k( 261) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0027322 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 k( 264) = ( 0.3280423 0.3280423 0.5000000), wk = 0.0027322 k( 265) = ( 0.3227513 0.3227513 0.5000000), wk = 0.0027322 k( 266) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0027322 k( 267) = ( 0.3121693 0.3121693 0.5000000), wk = 0.0027322 k( 268) = ( 0.3068783 0.3068783 0.5000000), wk = 0.0027322 k( 269) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0027322 k( 270) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0027322 k( 271) = ( 0.2910053 0.2910053 0.5000000), wk = 0.0027322 k( 272) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027322 k( 273) = ( 0.2804233 0.2804233 0.5000000), wk = 0.0027322 k( 274) = ( 0.2751323 0.2751323 0.5000000), wk = 0.0027322 k( 275) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0027322 k( 276) = ( 0.2645503 0.2645503 0.5000000), wk = 0.0027322 k( 277) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0027322 k( 278) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0027322 k( 279) = ( 0.2486772 0.2486773 0.5000000), wk = 0.0027322 k( 280) = ( 0.2433862 0.2433862 0.5000000), wk = 0.0027322 k( 281) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0027322 k( 282) = ( 0.2328042 0.2328042 0.5000000), wk = 0.0027322 k( 283) = ( 0.2275132 0.2275132 0.5000000), wk = 0.0027322 k( 284) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027322 k( 285) = ( 0.2169312 0.2169312 0.5000000), wk = 0.0027322 k( 286) = ( 0.2116402 0.2116402 0.5000000), wk = 0.0027322 k( 287) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0027322 k( 288) = ( 0.2010582 0.2010582 0.5000000), wk = 0.0027322 k( 289) = ( 0.1957672 0.1957672 0.5000000), wk = 0.0027322 k( 290) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0027322 k( 291) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0027322 k( 292) = ( 0.1798942 0.1798942 0.5000000), wk = 0.0027322 k( 293) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0027322 k( 294) = ( 0.1693122 0.1693122 0.5000000), wk = 0.0027322 k( 295) = ( 0.1640212 0.1640212 0.5000000), wk = 0.0027322 k( 296) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0027322 k( 297) = ( 0.1534391 0.1534391 0.5000000), wk = 0.0027322 k( 298) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0027322 k( 299) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027322 k( 300) = ( 0.1375661 0.1375661 0.5000000), wk = 0.0027322 k( 301) = ( 0.1322751 0.1322751 0.5000000), wk = 0.0027322 k( 302) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0027322 k( 303) = ( 0.1216931 0.1216931 0.5000000), wk = 0.0027322 k( 304) = ( 0.1164021 0.1164021 0.5000000), wk = 0.0027322 k( 305) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027322 k( 306) = ( 0.1058201 0.1058201 0.5000000), wk = 0.0027322 k( 307) = ( 0.1005291 0.1005291 0.5000000), wk = 0.0027322 k( 308) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0027322 k( 309) = ( 0.0899471 0.0899471 0.5000000), wk = 0.0027322 k( 310) = ( 0.0846561 0.0846561 0.5000000), wk = 0.0027322 k( 311) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0027322 k( 312) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0027322 k( 313) = ( 0.0687831 0.0687831 0.5000000), wk = 0.0027322 k( 314) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0027322 k( 315) = ( 0.0582011 0.0582011 0.5000000), wk = 0.0027322 k( 316) = ( 0.0529101 0.0529101 0.5000000), wk = 0.0027322 k( 317) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0027322 k( 318) = ( 0.0423280 0.0423280 0.5000000), wk = 0.0027322 k( 319) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0027322 k( 320) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0027322 k( 321) = ( 0.0264550 0.0264550 0.5000000), wk = 0.0027322 k( 322) = ( 0.0211640 0.0211640 0.5000000), wk = 0.0027322 k( 323) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0027322 k( 324) = ( 0.0105820 0.0105820 0.5000000), wk = 0.0027322 k( 325) = ( 0.0052910 0.0052910 0.5000000), wk = 0.0027322 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 327) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027322 k( 328) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0027322 k( 329) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0027322 k( 330) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0027322 k( 331) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0027322 k( 332) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0027322 k( 333) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0027322 k( 334) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0027322 k( 335) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0027322 k( 336) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0027322 k( 337) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0027322 k( 338) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0027322 k( 339) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0027322 k( 340) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0027322 k( 341) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0027322 k( 342) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0027322 k( 343) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0027322 k( 344) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0027322 k( 345) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0027322 k( 346) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027322 k( 347) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027322 k( 348) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0027322 k( 349) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0027322 k( 350) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0027322 k( 351) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0027322 k( 352) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0027322 k( 353) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0027322 k( 354) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0027322 k( 355) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0027322 k( 356) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0027322 k( 357) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0027322 k( 358) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0027322 k( 359) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0027322 k( 360) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0027322 k( 361) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0027322 k( 362) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0027322 k( 363) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0027322 k( 364) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0027322 k( 365) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0027322 k( 366) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027322 Dense grid: 40811 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 22023 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 112, 46) NL pseudopotentials 0.12 Mb ( 56, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 849) G-vector shells 0.00 Mb ( 394) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 112, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.19 Mb ( 136, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TaInS2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.0 secs Computing kpt #: 2 total cpu time spent up to now is 46.2 secs Computing kpt #: 3 total cpu time spent up to now is 47.1 secs Computing kpt #: 4 total cpu time spent up to now is 48.0 secs Computing kpt #: 5 total cpu time spent up to now is 48.9 secs Computing kpt #: 6 total cpu time spent up to now is 49.9 secs Computing kpt #: 7 total cpu time spent up to now is 50.8 secs Computing kpt #: 8 total cpu time spent up to now is 51.7 secs Computing kpt #: 9 total cpu time spent up to now is 52.7 secs Computing kpt #: 10 total cpu time spent up to now is 53.6 secs Computing kpt #: 11 total cpu time spent up to now is 54.6 secs Computing kpt #: 12 total cpu time spent up to now is 55.7 secs Computing kpt #: 13 total cpu time spent up to now is 56.6 secs Computing kpt #: 14 total cpu time spent up to now is 57.6 secs Computing kpt #: 15 total cpu time spent up to now is 58.5 secs Computing kpt #: 16 total cpu time spent up to now is 59.5 secs Computing kpt #: 17 total cpu time spent up to now is 60.4 secs Computing kpt #: 18 total cpu time spent up to now is 61.4 secs Computing kpt #: 19 total cpu time spent up to now is 62.3 secs Computing kpt #: 20 total cpu time spent up to now is 63.8 secs Computing kpt #: 21 total cpu time spent up to now is 65.3 secs Computing kpt #: 22 total cpu time spent up to now is 66.8 secs Computing kpt #: 23 total cpu time spent up to now is 68.2 secs Computing kpt #: 24 total cpu time spent up to now is 69.3 secs Computing kpt #: 25 total cpu time spent up to now is 70.4 secs Computing kpt #: 26 total cpu time spent up to now is 71.4 secs Computing kpt #: 27 total cpu time spent up to now is 72.4 secs Computing kpt #: 28 total cpu time spent up to now is 73.5 secs Computing kpt #: 29 total cpu time spent up to now is 74.7 secs Computing kpt #: 30 total cpu time spent up to now is 75.8 secs Computing kpt #: 31 total cpu time spent up to now is 76.9 secs Computing kpt #: 32 total cpu time spent up to now is 77.9 secs Computing kpt #: 33 total cpu time spent up to now is 78.9 secs Computing kpt #: 34 total cpu time spent up to now is 80.2 secs Computing kpt #: 35 total cpu time spent up to now is 81.2 secs Computing kpt #: 36 total cpu time spent up to now is 82.2 secs Computing kpt #: 37 total cpu time spent up to now is 83.2 secs Computing kpt #: 38 total cpu time spent up to now is 84.2 secs Computing kpt #: 39 total cpu time spent up to now is 85.4 secs Computing kpt #: 40 total cpu time spent up to now is 86.4 secs Computing kpt #: 41 total cpu time spent up to now is 87.5 secs Computing kpt #: 42 total cpu time spent up to now is 88.6 secs Computing kpt #: 43 total cpu time spent up to now is 89.7 secs Computing kpt #: 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is 109.1 secs Computing kpt #: 60 total cpu time spent up to now is 110.2 secs Computing kpt #: 61 total cpu time spent up to now is 111.4 secs Computing kpt #: 62 total cpu time spent up to now is 112.5 secs Computing kpt #: 63 total cpu time spent up to now is 113.8 secs Computing kpt #: 64 total cpu time spent up to now is 115.0 secs Computing kpt #: 65 total cpu time spent up to now is 116.3 secs Computing kpt #: 66 total cpu time spent up to now is 117.6 secs Computing kpt #: 67 total cpu time spent up to now is 118.9 secs Computing kpt #: 68 total cpu time spent up to now is 120.1 secs Computing kpt #: 69 total cpu time spent up to now is 121.5 secs Computing kpt #: 70 total cpu time spent up to now is 123.1 secs Computing kpt #: 71 total cpu time spent up to now is 124.3 secs Computing kpt #: 72 total cpu time spent up to now is 125.5 secs Computing kpt #: 73 total cpu time spent up to now is 126.7 secs Computing kpt #: 74 total cpu time spent up to now is 128.1 secs Computing kpt #: 75 total cpu time spent up to now is 129.4 secs Computing kpt #: 76 total cpu time spent up to now is 130.6 secs Computing kpt #: 77 total cpu time spent up to now is 131.8 secs Computing kpt #: 78 total cpu time spent up to now is 133.0 secs Computing kpt #: 79 total cpu time spent up to now is 134.2 secs Computing kpt #: 80 total cpu time spent up to now is 135.4 secs Computing kpt #: 81 total cpu time spent up to now is 136.7 secs Computing kpt #: 82 total cpu time spent up to now is 137.9 secs Computing kpt #: 83 total cpu time spent up to now is 139.1 secs Computing kpt #: 84 total cpu time spent up to now is 140.3 secs Computing kpt #: 85 total cpu time spent up to now is 141.5 secs Computing kpt #: 86 total cpu time spent up to now is 142.6 secs Computing kpt #: 87 total cpu time spent up to now is 144.1 secs Computing kpt #: 88 total cpu time spent up to now is 145.4 secs Computing kpt #: 89 total cpu time spent up to now is 146.6 secs Computing kpt #: 90 total cpu time spent up to now is 147.8 secs Computing kpt #: 91 total cpu time spent up to now is 149.0 secs Computing kpt #: 92 total cpu time spent up to now is 150.2 secs Computing kpt #: 93 total cpu time spent up to now is 151.4 secs Computing kpt #: 94 total cpu time spent up to now is 152.6 secs Computing kpt #: 95 total cpu time spent up to now is 153.8 secs Computing kpt #: 96 total cpu time spent up to now is 155.0 secs Computing kpt #: 97 total cpu time spent up to now is 156.2 secs Computing kpt #: 98 total cpu time spent up to now is 157.4 secs Computing kpt #: 99 total cpu time spent up to now is 158.6 secs Computing kpt #: 100 total cpu time spent up to now is 159.8 secs Computing kpt #: 101 total cpu time spent up to now is 161.1 secs Computing kpt #: 102 total cpu time spent up to now is 162.4 secs Computing kpt #: 103 total cpu time spent up to now is 163.6 secs Computing kpt #: 104 total cpu time spent up to now is 164.8 secs Computing kpt #: 105 total cpu time spent up to now is 166.0 secs Computing kpt #: 106 total cpu time spent up to now is 167.2 secs Computing kpt #: 107 total cpu time spent up to now is 168.4 secs Computing kpt #: 108 total cpu time spent up to now is 169.6 secs Computing kpt #: 109 total cpu time spent up to now is 170.8 secs Computing kpt #: 110 total cpu time spent up to now is 171.9 secs Computing kpt #: 111 total cpu time spent up to now is 173.2 secs Computing kpt #: 112 total cpu time spent up to now is 174.5 secs Computing kpt #: 113 total cpu time spent up to now is 175.7 secs Computing kpt #: 114 total cpu time spent up to now is 176.9 secs Computing kpt #: 115 total cpu time spent up to now is 178.1 secs Computing kpt #: 116 total cpu time spent up to now is 179.3 secs Computing kpt #: 117 total cpu time spent up to now is 180.3 secs Computing kpt #: 118 total cpu time spent up to now is 181.4 secs Computing kpt #: 119 total cpu time spent up to now is 182.6 secs Computing kpt #: 120 total cpu time spent up to now is 183.7 secs Computing kpt #: 121 total cpu time spent up to now is 185.1 secs Computing kpt #: 122 total cpu time spent up to now is 186.3 secs Computing kpt #: 123 total cpu time spent up to now is 187.4 secs Computing kpt #: 124 total cpu time spent up to now is 188.6 secs Computing kpt #: 125 total cpu time spent up to now is 189.6 secs Computing kpt #: 126 total cpu time spent up to now is 190.6 secs Computing kpt #: 127 total cpu time spent up to now is 191.6 secs Computing kpt #: 128 total cpu time spent up to now is 192.7 secs Computing kpt #: 129 total cpu time spent up to now is 193.7 secs Computing kpt #: 130 total cpu time spent up to now is 194.6 secs Computing kpt #: 131 total cpu time spent up to now is 195.6 secs Computing kpt #: 132 total cpu time spent up to now is 196.6 secs Computing kpt #: 133 total cpu time spent up to now is 197.6 secs Computing kpt #: 134 total cpu time spent up to now is 198.6 secs Computing kpt #: 135 total cpu time spent up to now is 199.6 secs Computing kpt #: 136 total cpu time spent up to now is 200.6 secs Computing kpt #: 137 total cpu time spent up to now is 201.6 secs Computing kpt #: 138 total cpu time spent up to now is 202.5 secs Computing kpt #: 139 total cpu time spent up to now is 203.6 secs Computing kpt #: 140 total cpu time spent up to now is 204.6 secs Computing kpt #: 141 total cpu time spent up to now is 205.6 secs Computing kpt #: 142 total cpu time spent up to now is 206.5 secs Computing kpt #: 143 total cpu time spent up to now is 207.5 secs Computing kpt #: 144 total cpu time spent up to now is 208.4 secs Computing kpt #: 145 total cpu time spent up to now is 209.4 secs Computing kpt #: 146 total cpu time spent up to now is 210.4 secs Computing kpt #: 147 total cpu time spent up to now is 211.4 secs Computing kpt #: 148 total cpu time spent up to now is 212.3 secs Computing kpt #: 149 total cpu time spent up to now is 213.2 secs Computing kpt #: 150 total cpu time spent up to now is 214.2 secs Computing kpt #: 151 total cpu time spent up to now is 215.1 secs Computing kpt #: 152 total cpu time spent up to now is 216.0 secs Computing kpt #: 153 total cpu time spent up to now is 217.0 secs Computing kpt #: 154 total cpu time spent up to now is 217.9 secs Computing kpt #: 155 total cpu time spent up to now is 218.8 secs Computing kpt #: 156 total cpu time spent up to now is 219.7 secs Computing kpt #: 157 total cpu time spent up to now is 220.6 secs Computing kpt #: 158 total cpu time spent up to now is 221.6 secs Computing kpt #: 159 total cpu time spent up to now is 222.6 secs Computing kpt #: 160 total cpu time spent up to now is 223.5 secs Computing kpt #: 161 total cpu time spent up to now is 224.7 secs Computing kpt #: 162 total cpu time spent up to now is 225.6 secs Computing kpt #: 163 total cpu time spent up to now is 226.6 secs Computing kpt #: 164 total cpu time spent up to now is 227.5 secs Computing kpt #: 165 total cpu time spent up to now is 228.5 secs Computing kpt #: 166 total cpu time spent up to now is 229.6 secs Computing kpt #: 167 total cpu time spent up to now is 230.6 secs Computing kpt #: 168 total cpu time spent up to now is 231.6 secs Computing kpt #: 169 total cpu time spent up to now is 232.5 secs Computing kpt #: 170 total cpu time spent up to now is 233.5 secs Computing kpt #: 171 total cpu time spent up to now is 234.7 secs Computing kpt #: 172 total cpu time spent up to now is 235.7 secs Computing kpt #: 173 total cpu time spent up to now is 236.6 secs Computing kpt #: 174 total cpu time spent up to now is 237.6 secs Computing kpt #: 175 total cpu time spent up to now is 238.8 secs Computing kpt #: 176 total cpu time spent up to now is 239.9 secs Computing kpt #: 177 total cpu time spent up to now is 240.9 secs Computing kpt #: 178 total cpu time spent up to now is 241.9 secs Computing kpt #: 179 total cpu time spent up to now is 243.0 secs Computing kpt #: 180 total cpu time spent up to now is 243.9 secs Computing kpt #: 181 total cpu time spent up to now is 245.1 secs Computing kpt #: 182 total cpu time spent up to now is 246.1 secs Computing kpt #: 183 total cpu time spent up to now is 247.0 secs Computing kpt #: 184 total cpu time spent up to now is 248.0 secs Computing kpt #: 185 total cpu time spent up to now is 248.9 secs Computing kpt #: 186 total cpu time spent up to now is 249.9 secs Computing kpt #: 187 total cpu time spent up to now is 250.8 secs Computing kpt #: 188 total cpu time spent up to now is 251.8 secs Computing kpt #: 189 total cpu time spent up to now is 252.8 secs Computing kpt #: 190 total cpu time spent up to now is 253.7 secs Computing kpt #: 191 total cpu time spent up to now is 254.6 secs Computing kpt #: 192 total cpu time spent up to now is 255.6 secs Computing kpt #: 193 total cpu time spent up to now is 256.5 secs Computing kpt #: 194 total cpu time spent up to now is 257.4 secs Computing kpt #: 195 total cpu time spent up to now is 258.5 secs Computing kpt #: 196 total cpu time spent up to now is 259.6 secs Computing kpt #: 197 total cpu time spent up to now is 260.6 secs Computing kpt #: 198 total cpu time spent up to now is 261.5 secs Computing kpt #: 199 total cpu time spent up to now is 262.5 secs Computing kpt #: 200 total cpu time spent up to now is 263.5 secs Computing kpt #: 201 total cpu time spent up to now is 264.5 secs Computing kpt #: 202 total cpu time spent up to now is 265.7 secs Computing kpt #: 203 total cpu time spent up to now is 266.8 secs Computing kpt #: 204 total cpu time spent up to now is 268.0 secs Computing kpt #: 205 total cpu time spent up to now is 269.2 secs Computing kpt #: 206 total cpu time spent up to now is 270.4 secs Computing kpt #: 207 total cpu time spent up to now is 271.6 secs Computing kpt #: 208 total cpu time spent up to now is 272.7 secs Computing kpt #: 209 total cpu time spent up to now is 273.9 secs Computing kpt #: 210 total cpu time spent up to now is 275.1 secs Computing kpt #: 211 total cpu time spent up to now is 276.3 secs Computing kpt #: 212 total cpu time spent up to now is 277.5 secs Computing kpt #: 213 total cpu time spent up to now is 278.7 secs Computing kpt #: 214 total cpu time spent up to now is 279.9 secs Computing kpt #: 215 total cpu time spent up to now is 281.0 secs Computing kpt #: 216 total cpu time spent up to now is 282.3 secs Computing kpt #: 217 total cpu time spent up to now is 283.5 secs Computing kpt #: 218 total cpu time spent up to now is 284.6 secs Computing kpt #: 219 total cpu time spent up to now is 285.8 secs Computing kpt #: 220 total cpu time spent up to now is 287.0 secs Computing kpt #: 221 total cpu time spent up to now is 288.2 secs Computing kpt #: 222 total cpu time spent up to now is 289.4 secs Computing kpt #: 223 total cpu time spent up to now is 290.6 secs Computing kpt #: 224 total cpu time spent up to now is 291.7 secs Computing kpt #: 225 total cpu time spent up to now is 292.9 secs Computing kpt #: 226 total cpu time spent up to now is 294.1 secs Computing kpt #: 227 total cpu time spent up to now is 295.3 secs Computing kpt #: 228 total cpu time spent up to now is 296.5 secs Computing kpt #: 229 total cpu time spent up to now is 297.7 secs Computing kpt #: 230 total cpu time spent up to now is 299.0 secs Computing kpt #: 231 total cpu time spent up to now is 300.3 secs Computing kpt #: 232 total cpu time spent up to now is 301.5 secs Computing kpt #: 233 total cpu time spent up to now is 302.7 secs Computing kpt #: 234 total cpu time spent up to now is 303.9 secs Computing kpt #: 235 total cpu time spent up to now is 305.1 secs Computing kpt #: 236 total cpu time spent up to now is 306.4 secs Computing kpt #: 237 total cpu time spent up to now is 307.5 secs Computing kpt #: 238 total cpu time spent up to now is 308.7 secs Computing kpt #: 239 total cpu time spent up to now is 309.9 secs Computing kpt #: 240 total cpu time spent up to now is 311.1 secs Computing kpt #: 241 total cpu time spent up to now is 312.4 secs Computing kpt #: 242 total cpu time spent up to now is 313.6 secs Computing kpt #: 243 total cpu time spent up to now is 314.7 secs Computing kpt #: 244 total cpu time spent up to now is 315.9 secs Computing kpt #: 245 total cpu time spent up to now is 317.2 secs Computing kpt #: 246 total cpu time spent up to now is 318.3 secs Computing kpt #: 247 total cpu time spent up to now is 319.4 secs Computing kpt #: 248 total cpu time spent up to now is 320.6 secs Computing kpt #: 249 total cpu time spent up to now is 321.6 secs Computing kpt #: 250 total cpu time spent up to now is 322.6 secs Computing kpt #: 251 total cpu time spent up to now is 323.7 secs Computing kpt #: 252 total cpu time spent up to now is 324.8 secs Computing kpt #: 253 total cpu time spent up to now is 325.8 secs Computing kpt #: 254 total cpu time spent up to now is 326.8 secs Computing kpt #: 255 total cpu time spent up to now is 327.8 secs Computing kpt #: 256 total cpu time spent up to now is 328.9 secs Computing kpt #: 257 total cpu time spent up to now is 330.0 secs Computing kpt #: 258 total cpu time spent up to now is 331.0 secs Computing kpt #: 259 total cpu time spent up to now is 332.1 secs Computing kpt #: 260 total cpu time spent up to now is 333.0 secs Computing kpt #: 261 total cpu time spent up to now is 334.0 secs Computing kpt #: 262 total cpu time spent up to now is 335.0 secs Computing kpt #: 263 total cpu time spent up to now is 336.0 secs Computing kpt #: 264 total cpu time spent up to now is 337.1 secs Computing kpt #: 265 total cpu time spent up to now is 338.1 secs Computing kpt #: 266 total cpu time spent up to now is 339.1 secs Computing kpt #: 267 total cpu time spent up to now is 340.1 secs Computing kpt #: 268 total cpu time spent up to now is 341.2 secs Computing kpt #: 269 total cpu time spent up to now is 342.5 secs Computing kpt #: 270 total cpu time spent up to now is 343.5 secs Computing kpt #: 271 total cpu time spent up to now is 344.5 secs Computing kpt #: 272 total cpu time spent up to now is 345.6 secs Computing kpt #: 273 total cpu time spent up to now is 346.6 secs Computing kpt #: 274 total cpu time spent up to now is 347.8 secs Computing kpt #: 275 total cpu time spent up to now is 348.8 secs Computing kpt #: 276 total cpu time spent up to now is 349.9 secs Computing kpt #: 277 total cpu time spent up to now is 351.0 secs Computing kpt #: 278 total cpu time spent up to now is 352.0 secs Computing kpt #: 279 total cpu time spent up to now is 353.1 secs Computing kpt #: 280 total cpu time spent up to now is 354.3 secs Computing kpt #: 281 total cpu time spent up to now is 355.5 secs Computing kpt #: 282 total cpu time spent up to now is 356.6 secs Computing kpt #: 283 total cpu time spent up to now is 357.7 secs Computing kpt #: 284 total cpu time spent up to now is 358.9 secs Computing kpt #: 285 total cpu time spent up to now is 360.0 secs Computing kpt #: 286 total cpu time spent up to now is 361.2 secs Computing kpt #: 287 total cpu time spent up to now is 362.3 secs Computing kpt #: 288 total cpu time spent up to now is 363.9 secs Computing kpt #: 289 total cpu time spent up to now is 365.8 secs Computing kpt #: 290 total cpu time spent up to now is 367.6 secs Computing kpt #: 291 total cpu time spent up to now is 369.3 secs Computing kpt #: 292 total cpu time spent up to now is 370.6 secs Computing kpt #: 293 total cpu time spent up to now is 371.8 secs Computing kpt #: 294 total cpu time spent up to now is 373.0 secs Computing kpt #: 295 total cpu time spent up to now is 374.2 secs Computing kpt #: 296 total cpu time spent up to now is 375.3 secs Computing kpt #: 297 total cpu time spent up to now is 376.3 secs Computing kpt #: 298 total cpu time spent up to now is 377.3 secs Computing kpt #: 299 total cpu time spent up to now is 378.3 secs Computing kpt #: 300 total cpu time spent up to now is 379.3 secs Computing kpt #: 301 total cpu time spent up to now is 380.3 secs Computing kpt #: 302 total cpu time spent up to now is 381.2 secs Computing kpt #: 303 total cpu time spent up to now is 382.2 secs Computing kpt #: 304 total cpu time spent up to now is 383.2 secs Computing kpt #: 305 total cpu time spent up to now is 384.1 secs Computing kpt #: 306 total cpu time spent up to now is 385.2 secs Computing kpt #: 307 total cpu time spent up to now is 386.2 secs Computing kpt #: 308 total cpu time spent up to now is 387.2 secs Computing kpt #: 309 total cpu time spent up to now is 388.1 secs Computing kpt #: 310 total cpu time spent up to now is 389.1 secs Computing kpt #: 311 total cpu time spent up to now is 390.1 secs Computing kpt #: 312 total cpu time spent up to now is 391.2 secs Computing kpt #: 313 total cpu time spent up to now is 392.1 secs Computing kpt #: 314 total cpu time spent up to now is 393.1 secs Computing kpt #: 315 total cpu time spent up to now is 394.1 secs Computing kpt #: 316 total cpu time spent up to now is 395.1 secs Computing kpt #: 317 total cpu time spent up to now is 396.2 secs Computing kpt #: 318 total cpu time spent up to now is 397.2 secs Computing kpt #: 319 total cpu time spent up to now is 400.1 secs Computing kpt #: 320 total cpu time spent up to now is 401.2 secs Computing kpt #: 321 total cpu time spent up to now is 402.2 secs Computing kpt #: 322 total cpu time spent up to now is 403.2 secs Computing kpt #: 323 total cpu time spent up to now is 404.2 secs Computing kpt #: 324 total cpu time spent up to now is 405.2 secs Computing kpt #: 325 total cpu time spent up to now is 406.2 secs Computing kpt #: 326 total cpu time spent up to now is 407.2 secs Computing kpt #: 327 total cpu time spent up to now is 408.4 secs Computing kpt #: 328 total cpu time spent up to now is 409.7 secs Computing kpt #: 329 total cpu time spent up to now is 410.9 secs Computing kpt #: 330 total cpu time spent up to now is 412.1 secs Computing kpt #: 331 total cpu time spent up to now is 413.4 secs Computing kpt #: 332 total cpu time spent up to now is 414.7 secs Computing kpt #: 333 total cpu time spent up to now is 415.9 secs Computing kpt #: 334 total cpu time spent up to now is 417.2 secs Computing kpt #: 335 total cpu time spent up to now is 418.5 secs Computing kpt #: 336 total cpu time spent up to now is 419.8 secs Computing kpt #: 337 total cpu time spent up to now is 421.1 secs Computing kpt #: 338 total cpu time spent up to now is 422.6 secs Computing kpt #: 339 total cpu time spent up to now is 423.9 secs Computing kpt #: 340 total cpu time spent up to now is 425.2 secs Computing kpt #: 341 total cpu time spent up to now is 426.4 secs Computing kpt #: 342 total cpu time spent up to now is 427.7 secs Computing kpt #: 343 total cpu time spent up to now is 428.8 secs Computing kpt #: 344 total cpu time spent up to now is 430.0 secs Computing kpt #: 345 total cpu time spent up to now is 431.4 secs Computing kpt #: 346 total cpu time spent up to now is 432.6 secs Computing kpt #: 347 total cpu time spent up to now is 433.8 secs Computing kpt #: 348 total cpu time spent up to now is 434.9 secs Computing kpt #: 349 total cpu time spent up to now is 436.1 secs Computing kpt #: 350 total cpu time spent up to now is 437.3 secs Computing kpt #: 351 total cpu time spent up to now is 438.5 secs Computing kpt #: 352 total cpu time spent up to now is 439.7 secs Computing kpt #: 353 total cpu time spent up to now is 440.9 secs Computing kpt #: 354 total cpu time spent up to now is 442.0 secs Computing kpt #: 355 total cpu time spent up to now is 443.2 secs Computing kpt #: 356 total cpu time spent up to now is 444.5 secs Computing kpt #: 357 total cpu time spent up to now is 445.8 secs Computing kpt #: 358 total cpu time spent up to now is 447.0 secs Computing kpt #: 359 total cpu time spent up to now is 448.2 secs Computing kpt #: 360 total cpu time spent up to now is 449.4 secs Computing kpt #: 361 total cpu time spent up to now is 450.4 secs Computing kpt #: 362 total cpu time spent up to now is 451.4 secs Computing kpt #: 363 total cpu time spent up to now is 452.4 secs Computing kpt #: 364 total cpu time spent up to now is 453.4 secs Computing kpt #: 365 total cpu time spent up to now is 454.4 secs Computing kpt #: 366 total cpu time spent up to now is 455.5 secs ethr = 2.63E-11, avg # of iterations = 21.2 total cpu time spent up to now is 456.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -57.5145 -57.5145 -30.3450 -30.3450 -21.6721 -21.6721 -21.5331 -21.5331 -4.7226 -4.7226 -4.5537 -4.5537 -4.0863 -4.0863 -3.7323 -3.7323 -3.5869 -3.5869 -3.5457 -3.5457 -2.9186 -2.9186 2.2054 2.2054 5.8907 5.8907 6.4624 6.4624 7.9002 7.9002 8.0222 8.0222 8.7881 8.7881 8.9169 8.9169 11.3102 11.3102 12.8276 12.8276 13.0806 13.0806 13.1680 13.1680 13.4044 13.4044 k = 0.0091 0.0052-0.0000 ( 2795 PWs) bands (ev): -57.5144 -57.5144 -30.3450 -30.3450 -21.6721 -21.6721 -21.5333 -21.5333 -4.7223 -4.7223 -4.5537 -4.5537 -4.0858 -4.0858 -3.7322 -3.7322 -3.5869 -3.5869 -3.5453 -3.5453 -2.9181 -2.9181 2.2068 2.2068 5.8922 5.8922 6.4622 6.4622 7.8985 7.8985 8.0205 8.0205 8.7861 8.7861 8.9146 8.9146 11.3079 11.3079 12.8273 12.8273 13.0797 13.0797 13.1688 13.1688 13.4042 13.4042 k = 0.0182 0.0105-0.0000 ( 2795 PWs) bands (ev): -57.5144 -57.5144 -30.3451 -30.3451 -21.6722 -21.6722 -21.5339 -21.5339 -4.7215 -4.7215 -4.5535 -4.5535 -4.0843 -4.0843 -3.7319 -3.7319 -3.5872 -3.5872 -3.5441 -3.5441 -2.9166 -2.9166 2.2113 2.2113 5.8965 5.8965 6.4614 6.4614 7.8925 7.8925 8.0160 8.0160 8.7799 8.7799 8.9078 8.9078 11.3012 11.3012 12.8262 12.8262 13.0769 13.0769 13.1707 13.1707 13.4037 13.4037 k = 0.0273 0.0157-0.0000 ( 2795 PWs) bands (ev): -57.5144 -57.5144 -30.3454 -30.3454 -21.6723 -21.6723 -21.5348 -21.5348 -4.7202 -4.7202 -4.5532 -4.5532 -4.0818 -4.0818 -3.7315 -3.7315 -3.5875 -3.5875 -3.5421 -3.5421 -2.9142 -2.9142 2.2187 2.2187 5.9038 5.9038 6.4601 6.4601 7.8808 7.8808 8.0105 8.0105 8.7695 8.7695 8.8964 8.8964 11.2899 11.2899 12.8245 12.8245 13.0726 13.0726 13.1731 13.1731 13.4040 13.4040 k = 0.0364 0.0210-0.0000 ( 2801 PWs) bands (ev): -57.5143 -57.5143 -30.3457 -30.3457 -21.6724 -21.6724 -21.5362 -21.5362 -4.7185 -4.7185 -4.5529 -4.5529 -4.0784 -4.0784 -3.7309 -3.7309 -3.5880 -3.5880 -3.5392 -3.5392 -2.9108 -2.9108 2.2290 2.2290 5.9139 5.9139 6.4583 6.4583 7.8612 7.8612 8.0062 8.0062 8.7551 8.7551 8.8806 8.8806 11.2742 11.2742 12.8221 12.8221 13.0671 13.0671 13.1749 13.1749 13.4063 13.4063 k = 0.0455 0.0262-0.0000 ( 2797 PWs) bands (ev): -57.5142 -57.5142 -30.3461 -30.3461 -21.6726 -21.6726 -21.5379 -21.5379 -4.7162 -4.7162 -4.5524 -4.5524 -4.0741 -4.0741 -3.7301 -3.7301 -3.5887 -3.5887 -3.5355 -3.5355 -2.9065 -2.9065 2.2423 2.2423 5.9269 5.9269 6.4559 6.4559 7.8324 7.8324 8.0049 8.0049 8.7367 8.7367 8.8607 8.8607 11.2539 11.2539 12.8190 12.8190 13.0605 13.0605 13.1751 13.1751 13.4123 13.4123 k = 0.0545 0.0315-0.0000 ( 2801 PWs) bands (ev): -57.5141 -57.5141 -30.3466 -30.3466 -21.6729 -21.6729 -21.5399 -21.5399 -4.7135 -4.7135 -4.5518 -4.5518 -4.0688 -4.0688 -3.7292 -3.7292 -3.5894 -3.5894 -3.5308 -3.5308 -2.9012 -2.9012 2.2585 2.2585 5.9427 5.9427 6.4530 6.4530 7.7942 7.7942 8.0070 8.0070 8.7142 8.7142 8.8367 8.8367 11.2292 11.2292 12.8152 12.8152 13.0530 13.0530 13.1733 13.1733 13.4232 13.4232 k = 0.0636 0.0367-0.0000 ( 2801 PWs) bands (ev): -57.5140 -57.5140 -30.3471 -30.3471 -21.6732 -21.6732 -21.5423 -21.5423 -4.7104 -4.7104 -4.5511 -4.5511 -4.0627 -4.0627 -3.7281 -3.7281 -3.5903 -3.5903 -3.5252 -3.5252 -2.8950 -2.8950 2.2776 2.2776 5.9612 5.9612 6.4495 6.4495 7.7476 7.7476 8.0122 8.0122 8.6876 8.6876 8.8090 8.8090 11.2001 11.2001 12.8109 12.8109 13.0448 13.0448 13.1695 13.1695 13.4397 13.4397 k = 0.0727 0.0420-0.0000 ( 2789 PWs) bands (ev): -57.5138 -57.5138 -30.3477 -30.3477 -21.6735 -21.6735 -21.5449 -21.5449 -4.7069 -4.7069 -4.5502 -4.5502 -4.0558 -4.0558 -3.7269 -3.7269 -3.5913 -3.5913 -3.5185 -3.5185 -2.8878 -2.8878 2.2996 2.2996 5.9826 5.9826 6.4455 6.4455 7.6933 7.6933 8.0200 8.0200 8.6571 8.6571 8.7780 8.7780 11.1667 11.1667 12.8061 12.8061 13.0361 13.0361 13.1643 13.1643 13.4617 13.4617 k = 0.0818 0.0472-0.0000 ( 2785 PWs) bands (ev): -57.5136 -57.5136 -30.3484 -30.3484 -21.6740 -21.6740 -21.5479 -21.5479 -4.7031 -4.7031 -4.5494 -4.5494 -4.0481 -4.0481 -3.7255 -3.7255 -3.5923 -3.5923 -3.5107 -3.5107 -2.8798 -2.8798 2.3245 2.3245 6.0066 6.0066 6.4408 6.4408 7.6324 7.6324 8.0298 8.0298 8.6227 8.6227 8.7440 8.7440 11.1291 11.1291 12.8009 12.8009 13.0268 13.0268 13.1586 13.1586 13.4890 13.4890 k = 0.0909 0.0525-0.0000 ( 2785 PWs) bands (ev): -57.5134 -57.5134 -30.3491 -30.3491 -21.6745 -21.6745 -21.5513 -21.5513 -4.6990 -4.6990 -4.5484 -4.5484 -4.0397 -4.0397 -3.7240 -3.7240 -3.5935 -3.5935 -3.5018 -3.5018 -2.8709 -2.8709 2.3522 2.3522 6.0333 6.0333 6.4356 6.4356 7.5657 7.5657 8.0413 8.0413 8.5842 8.5842 8.7075 8.7075 11.0876 11.0876 12.7955 12.7955 13.0174 13.0174 13.1533 13.1533 13.5207 13.5207 k = 0.1000 0.0577-0.0000 ( 2781 PWs) bands (ev): -57.5132 -57.5132 -30.3500 -30.3500 -21.6751 -21.6751 -21.5548 -21.5548 -4.6947 -4.6947 -4.5474 -4.5474 -4.0307 -4.0307 -3.7224 -3.7224 -3.5947 -3.5947 -3.4916 -3.4916 -2.8612 -2.8612 2.3828 2.3828 6.0626 6.0626 6.4298 6.4298 7.4939 7.4939 8.0542 8.0542 8.5419 8.5419 8.6689 8.6689 11.0422 11.0422 12.7901 12.7901 13.0081 13.0081 13.1492 13.1492 13.5564 13.5564 k = 0.1091 0.0630-0.0000 ( 2781 PWs) bands (ev): -57.5129 -57.5129 -30.3509 -30.3509 -21.6758 -21.6758 -21.5586 -21.5586 -4.6902 -4.6902 -4.5463 -4.5463 -4.0213 -4.0213 -3.7207 -3.7207 -3.5959 -3.5959 -3.4800 -3.4800 -2.8506 -2.8506 2.4162 2.4162 6.0943 6.0943 6.4233 6.4233 7.4177 7.4177 8.0682 8.0682 8.4958 8.4958 8.6287 8.6287 10.9932 10.9932 12.7849 12.7849 12.9992 12.9992 13.1468 13.1468 13.5955 13.5955 k = 0.1182 0.0682-0.0000 ( 2775 PWs) bands (ev): -57.5127 -57.5127 -30.3519 -30.3519 -21.6766 -21.6766 -21.5626 -21.5626 -4.6855 -4.6855 -4.5451 -4.5451 -4.0114 -4.0114 -3.7188 -3.7188 -3.5972 -3.5972 -3.4671 -3.4671 -2.8392 -2.8392 2.4523 2.4523 6.1283 6.1283 6.4161 6.4161 7.3377 7.3377 8.0831 8.0831 8.4463 8.4463 8.5871 8.5871 10.9410 10.9410 12.7802 12.7802 12.9912 12.9912 13.1463 13.1463 13.6373 13.6373 k = 0.1273 0.0735-0.0000 ( 2771 PWs) bands (ev): -57.5124 -57.5124 -30.3529 -30.3529 -21.6775 -21.6775 -21.5668 -21.5668 -4.6807 -4.6807 -4.5439 -4.5439 -4.0011 -4.0011 -3.7169 -3.7169 -3.5985 -3.5985 -3.4526 -3.4526 -2.8271 -2.8271 2.4912 2.4912 6.1645 6.1645 6.4081 6.4081 7.2547 7.2547 8.0983 8.0983 8.3938 8.3938 8.5447 8.5447 10.8858 10.8858 12.7761 12.7761 12.9843 12.9843 13.1478 13.1478 13.6814 13.6814 k = 0.1364 0.0787-0.0000 ( 2767 PWs) bands (ev): -57.5121 -57.5121 -30.3540 -30.3540 -21.6785 -21.6785 -21.5711 -21.5711 -4.6758 -4.6758 -4.5426 -4.5426 -3.9907 -3.9907 -3.7149 -3.7149 -3.5998 -3.5998 -3.4366 -3.4366 -2.8142 -2.8142 2.5328 2.5328 6.2027 6.2027 6.3995 6.3995 7.1691 7.1691 8.1132 8.1132 8.3393 8.3393 8.5015 8.5015 10.8280 10.8280 12.7731 12.7731 12.9790 12.9790 13.1514 13.1514 13.7273 13.7273 k = 0.1455 0.0840-0.0000 ( 2771 PWs) bands (ev): -57.5118 -57.5118 -30.3553 -30.3553 -21.6797 -21.6797 -21.5756 -21.5756 -4.6710 -4.6710 -4.5413 -4.5413 -3.9801 -3.9801 -3.7129 -3.7129 -3.6010 -3.6010 -3.4189 -3.4189 -2.8006 -2.8006 2.5771 2.5771 6.2425 6.2425 6.3901 6.3901 7.0816 7.0816 8.1259 8.1259 8.2848 8.2848 8.4580 8.4580 10.7680 10.7680 12.7713 12.7713 12.9753 12.9753 13.1571 13.1571 13.7747 13.7747 k = 0.1545 0.0892-0.0000 ( 2763 PWs) bands (ev): -57.5115 -57.5115 -30.3564 -30.3564 -21.6811 -21.6811 -21.5801 -21.5801 -4.6661 -4.6661 -4.5400 -4.5400 -3.9696 -3.9696 -3.7108 -3.7108 -3.6021 -3.6021 -3.3994 -3.3994 -2.7863 -2.7863 2.6239 2.6239 6.2832 6.2832 6.3801 6.3801 6.9931 6.9931 8.1304 8.1304 8.2363 8.2363 8.4145 8.4145 10.7062 10.7062 12.7711 12.7711 12.9735 12.9735 13.1649 13.1649 13.8231 13.8231 k = 0.1636 0.0945-0.0000 ( 2759 PWs) bands (ev): -57.5112 -57.5112 -30.3577 -30.3577 -21.6826 -21.6826 -21.5847 -21.5847 -4.6613 -4.6613 -4.5386 -4.5386 -3.9591 -3.9591 -3.7088 -3.7088 -3.6032 -3.6032 -3.3782 -3.3782 -2.7714 -2.7714 2.6733 2.6733 6.3231 6.3231 6.3704 6.3704 6.9045 6.9045 8.1098 8.1098 8.2107 8.2107 8.3717 8.3717 10.6431 10.6431 12.7724 12.7724 12.9738 12.9738 13.1745 13.1745 13.8722 13.8722 k = 0.1727 0.0997-0.0000 ( 2763 PWs) bands (ev): -57.5109 -57.5109 -30.3591 -30.3591 -21.6845 -21.6845 -21.5892 -21.5892 -4.6565 -4.6565 -4.5373 -4.5373 -3.9487 -3.9487 -3.7068 -3.7068 -3.6041 -3.6041 -3.3552 -3.3552 -2.7559 -2.7559 2.7252 2.7252 6.3465 6.3465 6.3750 6.3750 6.8177 6.8177 8.0608 8.0608 8.2100 8.2100 8.3310 8.3310 10.5790 10.5790 12.7756 12.7756 12.9762 12.9762 13.1858 13.1858 13.9217 13.9217 k = 0.1818 0.1050-0.0000 ( 2763 PWs) bands (ev): -57.5105 -57.5105 -30.3605 -30.3605 -21.6866 -21.6866 -21.5937 -21.5937 -4.6519 -4.6519 -4.5359 -4.5359 -3.9386 -3.9386 -3.7048 -3.7048 -3.6049 -3.6049 -3.3304 -3.3304 -2.7398 -2.7398 2.7794 2.7794 6.3377 6.3377 6.4056 6.4056 6.7368 6.7368 8.0008 8.0008 8.2126 8.2126 8.2975 8.2975 10.5144 10.5144 12.7807 12.7807 12.9810 12.9810 13.1988 13.1988 13.9712 13.9712 k = 0.1909 0.1102-0.0000 ( 2763 PWs) bands (ev): -57.5102 -57.5102 -30.3619 -30.3619 -21.6890 -21.6890 -21.5980 -21.5980 -4.6474 -4.6474 -4.5345 -4.5345 -3.9288 -3.9288 -3.7028 -3.7028 -3.6054 -3.6054 -3.3038 -3.3038 -2.7232 -2.7232 2.8360 2.8360 6.3233 6.3233 6.4252 6.4252 6.6723 6.6723 7.9373 7.9373 8.1991 8.1991 8.2835 8.2835 10.4498 10.4498 12.7878 12.7878 12.9880 12.9880 13.2132 13.2132 14.0206 14.0206 k = 0.2000 0.1155-0.0000 ( 2759 PWs) bands (ev): -57.5098 -57.5098 -30.3633 -30.3633 -21.6916 -21.6916 -21.6022 -21.6022 -4.6431 -4.6431 -4.5332 -4.5332 -3.9194 -3.9194 -3.7010 -3.7010 -3.6057 -3.6057 -3.2754 -3.2754 -2.7061 -2.7061 2.8948 2.8948 6.3068 6.3068 6.4092 6.4092 6.6451 6.6451 7.8727 7.8727 8.1664 8.1664 8.2902 8.2902 10.3857 10.3857 12.7970 12.7970 12.9973 12.9973 13.2289 13.2289 14.0695 14.0695 k = 0.2091 0.1207-0.0000 ( 2757 PWs) bands (ev): -57.5095 -57.5095 -30.3648 -30.3648 -21.6945 -21.6945 -21.6062 -21.6062 -4.6389 -4.6389 -4.5318 -4.5318 -3.9103 -3.9103 -3.6994 -3.6994 -3.6057 -3.6057 -3.2453 -3.2453 -2.6886 -2.6886 2.9558 2.9558 6.2882 6.2882 6.3524 6.3524 6.6607 6.6607 7.8082 7.8082 8.1263 8.1263 8.3050 8.3050 10.3224 10.3224 12.8082 12.8082 13.0090 13.0090 13.2454 13.2454 14.1177 14.1177 k = 0.2182 0.1260-0.0000 ( 2753 PWs) bands (ev): -57.5091 -57.5091 -30.3663 -30.3663 -21.6978 -21.6978 -21.6099 -21.6099 -4.6349 -4.6349 -4.5305 -4.5305 -3.9016 -3.9016 -3.6979 -3.6979 -3.6054 -3.6054 -3.2136 -3.2136 -2.6707 -2.6707 3.0188 3.0188 6.2614 6.2614 6.2807 6.2807 6.6988 6.6988 7.7445 7.7445 8.0841 8.0841 8.3225 8.3225 10.2606 10.2606 12.8215 12.8215 13.0228 13.0228 13.2626 13.2626 14.1650 14.1650 k = 0.2273 0.1312-0.0000 ( 2753 PWs) bands (ev): -57.5087 -57.5087 -30.3678 -30.3678 -21.7015 -21.7015 -21.6134 -21.6134 -4.6311 -4.6311 -4.5291 -4.5291 -3.8934 -3.8934 -3.6967 -3.6967 -3.6048 -3.6048 -3.1803 -3.1803 -2.6524 -2.6524 3.0836 3.0836 6.1844 6.1844 6.2496 6.2496 6.7462 6.7462 7.6822 7.6822 8.0414 8.0414 8.3409 8.3409 10.2006 10.2006 12.8369 12.8369 13.0387 13.0387 13.2798 13.2798 14.2112 14.2112 k = 0.2364 0.1365-0.0000 ( 2756 PWs) bands (ev): -57.5084 -57.5084 -30.3694 -30.3694 -21.7054 -21.7054 -21.6166 -21.6166 -4.6275 -4.6275 -4.5279 -4.5279 -3.8856 -3.8856 -3.6957 -3.6957 -3.6038 -3.6038 -3.1456 -3.1456 -2.6338 -2.6338 3.1503 3.1503 6.0956 6.0956 6.2252 6.2252 6.7978 6.7978 7.6219 7.6219 7.9987 7.9987 8.3595 8.3595 10.1428 10.1428 12.8544 12.8544 13.0563 13.0563 13.2963 13.2963 14.2560 14.2560 k = 0.2455 0.1417-0.0000 ( 2750 PWs) bands (ev): -57.5080 -57.5080 -30.3709 -30.3709 -21.7097 -21.7097 -21.6194 -21.6194 -4.6241 -4.6241 -4.5266 -4.5266 -3.8781 -3.8781 -3.6949 -3.6949 -3.6024 -3.6024 -3.1095 -3.1095 -2.6150 -2.6150 3.2185 3.2185 6.0055 6.0055 6.1994 6.1994 6.8516 6.8516 7.5640 7.5640 7.9566 7.9566 8.3780 8.3780 10.0878 10.0878 12.8737 12.8737 13.0750 13.0750 13.3110 13.3110 14.2993 14.2993 k = 0.2545 0.1470-0.0000 ( 2748 PWs) bands (ev): -57.5076 -57.5076 -30.3724 -30.3724 -21.7142 -21.7142 -21.6220 -21.6220 -4.6210 -4.6210 -4.5253 -4.5253 -3.8711 -3.8711 -3.6944 -3.6944 -3.6007 -3.6007 -3.0723 -3.0723 -2.5960 -2.5960 3.2881 3.2881 5.9155 5.9155 6.1715 6.1715 6.9063 6.9063 7.5090 7.5090 7.9151 7.9151 8.3962 8.3962 10.0360 10.0360 12.8948 12.8948 13.0938 13.0938 13.3220 13.3220 14.3023 14.3023 k = 0.2636 0.1522-0.0000 ( 2756 PWs) bands (ev): -57.5072 -57.5072 -30.3740 -30.3740 -21.7191 -21.7191 -21.6244 -21.6244 -4.6180 -4.6180 -4.5242 -4.5242 -3.8645 -3.8645 -3.6941 -3.6941 -3.5986 -3.5986 -3.0340 -3.0340 -2.5769 -2.5769 3.3589 3.3589 5.8263 5.8263 6.1416 6.1416 6.9613 6.9613 7.4574 7.4574 7.8743 7.8743 8.4138 8.4138 9.9877 9.9877 12.9172 12.9172 13.1102 13.1102 13.3264 13.3264 14.1180 14.1180 k = 0.2727 0.1575-0.0000 ( 2764 PWs) bands (ev): -57.5069 -57.5069 -30.3756 -30.3756 -21.7242 -21.7242 -21.6265 -21.6265 -4.6153 -4.6153 -4.5231 -4.5231 -3.8582 -3.8582 -3.6942 -3.6942 -3.5962 -3.5962 -2.9948 -2.9948 -2.5577 -2.5577 3.4307 3.4307 5.7384 5.7384 6.1096 6.1096 7.0157 7.0157 7.4097 7.4097 7.8345 7.8345 8.4308 8.4308 9.9432 9.9432 12.9400 12.9400 13.1186 13.1186 13.3212 13.3212 13.9553 13.9553 k = 0.2818 0.1627-0.0000 ( 2760 PWs) bands (ev): -57.5065 -57.5065 -30.3771 -30.3771 -21.7293 -21.7293 -21.6283 -21.6283 -4.6128 -4.6128 -4.5219 -4.5219 -3.8523 -3.8523 -3.6944 -3.6944 -3.5935 -3.5935 -2.9549 -2.9549 -2.5385 -2.5385 3.5032 3.5032 5.6522 5.6522 6.0756 6.0756 7.0685 7.0685 7.3667 7.3667 7.7958 7.7958 8.4471 8.4471 9.9031 9.9031 12.9594 12.9594 13.1059 13.1059 13.3087 13.3087 13.8310 13.8310 k = 0.2909 0.1680-0.0000 ( 2760 PWs) bands (ev): -57.5062 -57.5062 -30.3786 -30.3786 -21.7346 -21.7346 -21.6299 -21.6299 -4.6105 -4.6105 -4.5209 -4.5209 -3.8467 -3.8467 -3.6948 -3.6948 -3.5905 -3.5905 -2.9144 -2.9144 -2.5193 -2.5193 3.5760 3.5760 5.5680 5.5680 6.0397 6.0397 7.1180 7.1180 7.3300 7.3300 7.7583 7.7583 8.4626 8.4626 9.8674 9.8674 12.9544 12.9544 13.0678 13.0678 13.3045 13.3045 13.7552 13.7552 k = 0.3000 0.1732-0.0000 ( 2748 PWs) bands (ev): -57.5058 -57.5058 -30.3800 -30.3800 -21.7399 -21.7399 -21.6313 -21.6313 -4.6083 -4.6083 -4.5199 -4.5199 -3.8415 -3.8415 -3.6954 -3.6954 -3.5873 -3.5873 -2.8736 -2.8736 -2.5003 -2.5003 3.6488 3.6488 5.4863 5.4863 6.0022 6.0022 7.1591 7.1591 7.3044 7.3044 7.7220 7.7220 8.4773 8.4773 9.8363 9.8363 12.8646 12.8646 13.0619 13.0619 13.3171 13.3171 13.7220 13.7220 k = 0.3091 0.1785-0.0000 ( 2756 PWs) bands (ev): -57.5054 -57.5054 -30.3816 -30.3816 -21.7454 -21.7454 -21.6325 -21.6325 -4.6064 -4.6064 -4.5190 -4.5190 -3.8365 -3.8365 -3.6962 -3.6962 -3.5839 -3.5839 -2.8325 -2.8325 -2.4814 -2.4814 3.7212 3.7212 5.4075 5.4075 5.9631 5.9631 7.1796 7.1796 7.3018 7.3018 7.6870 7.6870 8.4912 8.4912 9.8100 9.8100 12.7141 12.7141 13.0847 13.0847 13.3409 13.3409 13.7163 13.7163 k = 0.3182 0.1837-0.0000 ( 2756 PWs) bands (ev): -57.5051 -57.5051 -30.3830 -30.3830 -21.7508 -21.7508 -21.6336 -21.6336 -4.6047 -4.6047 -4.5181 -4.5181 -3.8318 -3.8318 -3.6971 -3.6971 -3.5803 -3.5803 -2.7915 -2.7915 -2.4628 -2.4628 3.7926 3.7926 5.3319 5.3319 5.9230 5.9230 7.1735 7.1735 7.3281 7.3281 7.6537 7.6537 8.5042 8.5042 9.7884 9.7884 12.5414 12.5414 13.1147 13.1147 13.3707 13.3707 13.7265 13.7265 k = 0.3273 0.1890-0.0000 ( 2756 PWs) bands (ev): -57.5047 -57.5047 -30.3844 -30.3844 -21.7562 -21.7562 -21.6345 -21.6345 -4.6031 -4.6031 -4.5173 -4.5173 -3.8274 -3.8274 -3.6981 -3.6981 -3.5767 -3.5767 -2.7506 -2.7506 -2.4444 -2.4444 3.8624 3.8624 5.2601 5.2601 5.8821 5.8821 7.1549 7.1549 7.3687 7.3687 7.6222 7.6222 8.5163 8.5163 9.7712 9.7712 12.3601 12.3601 13.1474 13.1474 13.4040 13.4040 13.7458 13.7458 k = 0.3364 0.1942-0.0000 ( 2752 PWs) bands (ev): -57.5044 -57.5044 -30.3857 -30.3857 -21.7614 -21.7614 -21.6354 -21.6354 -4.6016 -4.6016 -4.5165 -4.5165 -3.8233 -3.8233 -3.6992 -3.6992 -3.5730 -3.5730 -2.7102 -2.7102 -2.4265 -2.4265 3.9300 3.9300 5.1927 5.1927 5.8407 5.8407 7.1338 7.1338 7.4129 7.4129 7.5932 7.5932 8.5276 8.5276 9.7582 9.7582 12.1763 12.1763 13.1815 13.1815 13.4395 13.4395 13.7708 13.7708 k = 0.3455 0.1994-0.0000 ( 2748 PWs) bands (ev): -57.5041 -57.5041 -30.3870 -30.3870 -21.7666 -21.7666 -21.6361 -21.6361 -4.6004 -4.6004 -4.5158 -4.5158 -3.8193 -3.8193 -3.7003 -3.7003 -3.5693 -3.5693 -2.6703 -2.6703 -2.4090 -2.4090 3.9943 3.9943 5.1305 5.1305 5.7992 5.7992 7.1134 7.1134 7.4554 7.4554 7.5688 7.5688 8.5380 8.5380 9.7488 9.7488 11.9936 11.9936 13.2162 13.2162 13.4765 13.4765 13.7997 13.7997 k = 0.3545 0.2047-0.0000 ( 2746 PWs) bands (ev): -57.5038 -57.5038 -30.3883 -30.3883 -21.7716 -21.7716 -21.6367 -21.6367 -4.5992 -4.5992 -4.5152 -4.5152 -3.8157 -3.8157 -3.7014 -3.7014 -3.5656 -3.5656 -2.6312 -2.6312 -2.3919 -2.3919 4.0543 4.0543 5.0743 5.0743 5.7580 5.7580 7.0945 7.0945 7.4856 7.4856 7.5590 7.5590 8.5476 8.5476 9.7420 9.7420 11.8141 11.8141 13.2510 13.2510 13.5145 13.5145 13.8312 13.8312 k = 0.3636 0.2099-0.0000 ( 2750 PWs) bands (ev): -57.5035 -57.5035 -30.3895 -30.3895 -21.7765 -21.7765 -21.6373 -21.6373 -4.5982 -4.5982 -4.5146 -4.5146 -3.8122 -3.8122 -3.7026 -3.7026 -3.5620 -3.5620 -2.5932 -2.5932 -2.3755 -2.3755 4.1086 4.1086 5.0251 5.0251 5.7175 5.7175 7.0775 7.0775 7.4843 7.4843 7.5826 7.5826 8.5564 8.5564 9.7369 9.7369 11.6396 11.6396 13.2856 13.2856 13.5530 13.5530 13.8648 13.8648 k = 0.3727 0.2152-0.0000 ( 2746 PWs) bands (ev): -57.5032 -57.5032 -30.3906 -30.3906 -21.7811 -21.7811 -21.6378 -21.6378 -4.5973 -4.5973 -4.5140 -4.5140 -3.8090 -3.8090 -3.7037 -3.7037 -3.5585 -3.5585 -2.5564 -2.5564 -2.3597 -2.3597 4.1560 4.1560 4.9844 4.9844 5.6781 5.6781 7.0623 7.0623 7.4664 7.4664 7.6251 7.6251 8.5645 8.5645 9.7319 9.7319 11.4720 11.4720 13.3195 13.3195 13.5919 13.5919 13.9001 13.9001 k = 0.3818 0.2204-0.0000 ( 2742 PWs) bands (ev): -57.5029 -57.5029 -30.3917 -30.3917 -21.7855 -21.7855 -21.6381 -21.6381 -4.5965 -4.5965 -4.5135 -4.5135 -3.8060 -3.8060 -3.7048 -3.7048 -3.5550 -3.5550 -2.5210 -2.5210 -2.3446 -2.3446 4.1947 4.1947 4.9531 4.9531 5.6400 5.6400 7.0489 7.0489 7.4456 7.4456 7.6731 7.6731 8.5718 8.5718 9.7253 9.7253 11.3130 11.3130 13.3524 13.3524 13.6307 13.6307 13.9368 13.9368 k = 0.3909 0.2257-0.0000 ( 2748 PWs) bands (ev): -57.5027 -57.5027 -30.3927 -30.3927 -21.7897 -21.7897 -21.6385 -21.6385 -4.5959 -4.5959 -4.5131 -4.5131 -3.8033 -3.8033 -3.7059 -3.7059 -3.5518 -3.5518 -2.4872 -2.4872 -2.3302 -2.3302 4.2236 4.2236 4.9324 4.9324 5.6036 5.6036 7.0371 7.0371 7.4251 7.4251 7.7240 7.7240 8.5785 8.5785 9.7147 9.7147 11.1647 11.1647 13.3840 13.3840 13.6690 13.6690 13.9747 13.9747 k = 0.4000 0.2309-0.0000 ( 2752 PWs) bands (ev): -57.5025 -57.5025 -30.3937 -30.3937 -21.7937 -21.7937 -21.6389 -21.6389 -4.5953 -4.5953 -4.5128 -4.5128 -3.8008 -3.8008 -3.7069 -3.7069 -3.5487 -3.5487 -2.4554 -2.4554 -2.3167 -2.3167 4.2422 4.2422 4.9226 4.9226 5.5692 5.5692 7.0269 7.0269 7.4057 7.4057 7.7773 7.7773 8.5845 8.5845 9.6976 9.6976 11.0295 11.0295 13.4139 13.4139 13.7065 13.7065 14.0135 14.0135 k = 0.4091 0.2362-0.0000 ( 2750 PWs) bands (ev): -57.5023 -57.5023 -30.3946 -30.3946 -21.7973 -21.7973 -21.6391 -21.6391 -4.5948 -4.5948 -4.5124 -4.5124 -3.7984 -3.7984 -3.7078 -3.7078 -3.5458 -3.5458 -2.4256 -2.4256 -2.3040 -2.3040 4.2507 4.2507 4.9228 4.9228 5.5370 5.5370 7.0180 7.0180 7.3877 7.3877 7.8333 7.8333 8.5899 8.5899 9.6712 9.6712 10.9099 10.9099 13.4420 13.4420 13.7428 13.7428 14.0531 14.0531 k = 0.4182 0.2414-0.0000 ( 2740 PWs) bands (ev): -57.5021 -57.5021 -30.3953 -30.3953 -21.8005 -21.8005 -21.6393 -21.6393 -4.5943 -4.5943 -4.5121 -4.5121 -3.7963 -3.7963 -3.7087 -3.7087 -3.5430 -3.5430 -2.3981 -2.3981 -2.2922 -2.2922 4.2509 4.2509 4.9313 4.9313 5.5073 5.5073 7.0103 7.0103 7.3712 7.3712 7.8921 7.8921 8.5948 8.5948 9.6329 9.6329 10.8083 10.8083 13.4679 13.4679 13.7777 13.7777 14.0930 14.0930 k = 0.4273 0.2467-0.0000 ( 2740 PWs) bands (ev): -57.5019 -57.5019 -30.3960 -30.3960 -21.8036 -21.8036 -21.6395 -21.6395 -4.5939 -4.5939 -4.5118 -4.5118 -3.7944 -3.7944 -3.7095 -3.7095 -3.5406 -3.5406 -2.3730 -2.3730 -2.2813 -2.2813 4.2447 4.2447 4.9458 4.9458 5.4804 5.4804 7.0037 7.0037 7.3564 7.3564 7.9538 7.9538 8.5992 8.5992 9.5811 9.5811 10.7259 10.7259 13.4915 13.4915 13.8107 13.8107 14.1329 14.1329 k = 0.4364 0.2519-0.0000 ( 2740 PWs) bands (ev): -57.5017 -57.5017 -30.3967 -30.3967 -21.8063 -21.8063 -21.6397 -21.6397 -4.5936 -4.5936 -4.5116 -4.5116 -3.7928 -3.7928 -3.7103 -3.7103 -3.5384 -3.5384 -2.3507 -2.3507 -2.2714 -2.2714 4.2344 4.2344 4.9637 4.9637 5.4564 5.4564 6.9982 6.9982 7.3432 7.3432 8.0185 8.0185 8.6032 8.6032 9.5160 9.5160 10.6625 10.6625 13.5126 13.5126 13.8413 13.8413 14.1721 14.1721 k = 0.4455 0.2572-0.0000 ( 2744 PWs) bands (ev): -57.5016 -57.5016 -30.3973 -30.3973 -21.8086 -21.8086 -21.6398 -21.6398 -4.5934 -4.5934 -4.5115 -4.5115 -3.7913 -3.7913 -3.7109 -3.7109 -3.5364 -3.5364 -2.3313 -2.3313 -2.2624 -2.2624 4.2222 4.2222 4.9827 4.9827 5.4354 5.4354 6.9936 6.9936 7.3318 7.3318 8.0857 8.0857 8.6069 8.6069 9.4397 9.4397 10.6164 10.6164 13.5311 13.5311 13.8691 13.8691 14.2099 14.2099 k = 0.4545 0.2624-0.0000 ( 2748 PWs) bands (ev): -57.5015 -57.5015 -30.3978 -30.3978 -21.8107 -21.8107 -21.6400 -21.6400 -4.5932 -4.5932 -4.5113 -4.5113 -3.7901 -3.7901 -3.7115 -3.7115 -3.5348 -3.5348 -2.3148 -2.3148 -2.2545 -2.2545 4.2095 4.2095 5.0012 5.0012 5.4176 5.4176 6.9898 6.9898 7.3221 7.3221 8.1545 8.1545 8.6104 8.6104 9.3559 9.3559 10.5846 10.5846 13.5468 13.5468 13.8938 13.8938 14.2454 14.2454 k = 0.4636 0.2677-0.0000 ( 2740 PWs) bands (ev): -57.5014 -57.5014 -30.3981 -30.3981 -21.8123 -21.8123 -21.6400 -21.6400 -4.5930 -4.5930 -4.5112 -4.5112 -3.7891 -3.7891 -3.7119 -3.7119 -3.5334 -3.5334 -2.3014 -2.3014 -2.2478 -2.2478 4.1978 4.1978 5.0177 5.0177 5.4031 5.4031 6.9868 6.9868 7.3141 7.3141 8.2232 8.2232 8.6141 8.6141 9.2692 9.2692 10.5637 10.5637 13.5597 13.5597 13.9148 13.9148 14.2775 14.2775 k = 0.4727 0.2729-0.0000 ( 2736 PWs) bands (ev): -57.5013 -57.5013 -30.3984 -30.3984 -21.8135 -21.8135 -21.6401 -21.6401 -4.5929 -4.5929 -4.5111 -4.5111 -3.7883 -3.7883 -3.7123 -3.7123 -3.5323 -3.5323 -2.2911 -2.2911 -2.2422 -2.2422 4.1879 4.1879 5.0314 5.0314 5.3918 5.3918 6.9845 6.9845 7.3079 7.3079 8.2885 8.2885 8.6181 8.6181 9.1857 9.1857 10.5507 10.5507 13.5698 13.5698 13.9317 13.9317 14.3046 14.3046 k = 0.4818 0.2782-0.0000 ( 2742 PWs) bands (ev): -57.5013 -57.5013 -30.3987 -30.3987 -21.8145 -21.8145 -21.6401 -21.6401 -4.5928 -4.5928 -4.5111 -4.5111 -3.7878 -3.7878 -3.7126 -3.7126 -3.5315 -3.5315 -2.2839 -2.2839 -2.2380 -2.2380 4.1803 4.1803 5.0415 5.0415 5.3838 5.3838 6.9829 6.9829 7.3035 7.3035 8.3450 8.3450 8.6227 8.6227 9.1127 9.1127 10.5430 10.5430 13.5770 13.5770 13.9441 13.9441 14.3254 14.3254 k = 0.4909 0.2834-0.0000 ( 2736 PWs) bands (ev): -57.5012 -57.5012 -30.3987 -30.3987 -21.8151 -21.8151 -21.6401 -21.6401 -4.5927 -4.5927 -4.5110 -4.5110 -3.7874 -3.7874 -3.7127 -3.7127 -3.5310 -3.5310 -2.2796 -2.2796 -2.2354 -2.2354 4.1757 4.1757 5.0477 5.0477 5.3790 5.3790 6.9820 6.9820 7.3008 7.3008 8.3847 8.3847 8.6273 8.6273 9.0608 9.0608 10.5392 10.5392 13.5814 13.5814 13.9517 13.9517 14.3386 14.3386 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6401 -21.6401 -4.5927 -4.5927 -4.5110 -4.5110 -3.7873 -3.7873 -3.7128 -3.7128 -3.5309 -3.5309 -2.2782 -2.2782 -2.2346 -2.2346 4.1741 4.1741 5.0498 5.0498 5.3774 5.3774 6.9817 6.9817 7.2999 7.2999 8.3992 8.3992 8.6294 8.6294 9.0415 9.0415 10.5380 10.5380 13.5828 13.5828 13.9543 13.9543 14.3431 14.3431 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6401 -21.6401 -4.5927 -4.5927 -4.5110 -4.5110 -3.7873 -3.7873 -3.7128 -3.7128 -3.5309 -3.5309 -2.2782 -2.2782 -2.2346 -2.2346 4.1741 4.1741 5.0498 5.0498 5.3774 5.3774 6.9817 6.9817 7.2999 7.2999 8.3992 8.3992 8.6294 8.6294 9.0415 9.0415 10.5380 10.5380 13.5828 13.5828 13.9543 13.9543 14.3431 14.3431 k = 0.4948 0.2977-0.0000 ( 2740 PWs) bands (ev): -57.5012 -57.5012 -30.3991 -30.3986 -21.8159 -21.8146 -21.6404 -21.6402 -4.5927 -4.5926 -4.5110 -4.5109 -3.7875 -3.7871 -3.7127 -3.7127 -3.5311 -3.5310 -2.2806 -2.2752 -2.2346 -2.2338 4.1741 4.1772 5.0474 5.0529 5.3775 5.3775 6.9750 6.9838 7.2955 7.3051 8.3846 8.4107 8.6169 8.6324 9.0402 9.0496 10.5270 10.5523 13.5808 13.5893 13.9537 13.9560 14.3274 14.3588 k = 0.4896 0.3067-0.0000 ( 2742 PWs) bands (ev): -57.5012 -57.5012 -30.3993 -30.3985 -21.8163 -21.8137 -21.6409 -21.6405 -4.5925 -4.5924 -4.5108 -4.5108 -3.7876 -3.7869 -3.7126 -3.7125 -3.5315 -3.5315 -2.2822 -2.2715 -2.2341 -2.2324 4.1772 4.1833 5.0460 5.0570 5.3776 5.3776 6.9644 6.9813 7.2923 7.3107 8.3651 8.4197 8.5950 8.6284 9.0457 9.0639 10.5195 10.5697 13.5827 13.6006 13.9541 13.9595 14.3122 14.3740 k = 0.4844 0.3157-0.0000 ( 2750 PWs) bands (ev): -57.5012 -57.5012 -30.3997 -30.3984 -21.8168 -21.8129 -21.6417 -21.6411 -4.5921 -4.5919 -4.5106 -4.5106 -3.7877 -3.7866 -3.7123 -3.7122 -3.5324 -3.5323 -2.2830 -2.2672 -2.2330 -2.2302 4.1833 4.1925 5.0455 5.0620 5.3777 5.3778 6.9502 6.9742 7.2902 7.3162 8.3378 8.4238 8.5677 8.6219 9.0569 9.0827 10.5158 10.5895 13.5877 13.6168 13.9547 13.9651 14.2978 14.3883 k = 0.4792 0.3248-0.0000 ( 2758 PWs) bands (ev): -57.5012 -57.5012 -30.4000 -30.3984 -21.8171 -21.8119 -21.6427 -21.6419 -4.5916 -4.5913 -4.5102 -4.5102 -3.7877 -3.7863 -3.7119 -3.7118 -3.5335 -3.5334 -2.2831 -2.2625 -2.2313 -2.2271 4.1925 4.2047 5.0458 5.0678 5.3778 5.3780 6.9331 6.9627 7.2892 7.3211 8.3000 8.4154 8.5445 8.6176 9.0726 9.1047 10.5155 10.6114 13.5948 13.6378 13.9548 13.9732 14.2846 14.4005 k = 0.4740 0.3338-0.0000 ( 2754 PWs) bands (ev): -57.5012 -57.5012 -30.4003 -30.3983 -21.8173 -21.8108 -21.6439 -21.6429 -4.5909 -4.5906 -4.5098 -4.5097 -3.7876 -3.7859 -3.7114 -3.7112 -3.5349 -3.5347 -2.2825 -2.2575 -2.2291 -2.2231 4.2047 4.2200 5.0471 5.0744 5.3779 5.3781 6.9137 6.9475 7.2890 7.3250 8.2506 8.3836 8.5377 8.6188 9.0915 9.1289 10.5186 10.6348 13.6024 13.6632 13.9537 13.9844 14.2734 14.4091 k = 0.4688 0.3428-0.0000 ( 2758 PWs) bands (ev): -57.5011 -57.5011 -30.4007 -30.3982 -21.8175 -21.8096 -21.6453 -21.6442 -4.5901 -4.5897 -4.5092 -4.5092 -3.7876 -3.7855 -3.7107 -3.7106 -3.5366 -3.5364 -2.2810 -2.2522 -2.2263 -2.2182 4.2200 4.2382 5.0492 5.0818 5.3778 5.3781 6.8924 6.9291 7.2891 7.3274 8.1901 8.3295 8.5477 8.6268 9.1128 9.1545 10.5247 10.6592 13.6089 13.6924 13.9503 13.9992 14.2648 14.4112 k = 0.4635 0.3518-0.0000 ( 2758 PWs) bands (ev): -57.5011 -57.5011 -30.4011 -30.3982 -21.8175 -21.8082 -21.6469 -21.6458 -4.5891 -4.5887 -4.5086 -4.5086 -3.7875 -3.7851 -3.7099 -3.7098 -3.5386 -3.5384 -2.2787 -2.2469 -2.2231 -2.2121 4.2382 4.2594 5.0521 5.0900 5.3775 5.3780 6.8699 6.9083 7.2891 7.3279 8.1199 8.2612 8.5677 8.6414 9.1362 9.1814 10.5335 10.6842 13.6125 13.7239 13.9443 14.0180 14.2595 14.4035 k = 0.4583 0.3608-0.0000 ( 2758 PWs) bands (ev): -57.5010 -57.5010 -30.4015 -30.3982 -21.8174 -21.8068 -21.6486 -21.6475 -4.5881 -4.5876 -4.5079 -4.5078 -3.7873 -3.7846 -3.7090 -3.7088 -3.5408 -3.5406 -2.2758 -2.2414 -2.2195 -2.2051 4.2593 4.2834 5.0558 5.0989 5.3769 5.3776 6.8467 6.8858 7.2886 7.3263 8.0419 8.1832 8.5939 8.6622 9.1613 9.2094 10.5446 10.7096 13.6115 13.7552 13.9363 14.0404 14.2577 14.3838 k = 0.4531 0.3699-0.0000 ( 2754 PWs) bands (ev): -57.5010 -57.5010 -30.4018 -30.3982 -21.8172 -21.8052 -21.6506 -21.6495 -4.5870 -4.5864 -4.5070 -4.5070 -3.7871 -3.7841 -3.7080 -3.7078 -3.5433 -3.5431 -2.2721 -2.2360 -2.2155 -2.1970 4.2834 4.3103 5.0603 5.1085 5.3759 5.3768 6.8230 6.8623 7.2874 7.3220 7.9580 8.0981 8.6249 8.6885 9.1879 9.2385 10.5577 10.7351 13.6044 13.7804 13.9303 14.0646 14.2586 14.3552 k = 0.4479 0.3789-0.0000 ( 2748 PWs) bands (ev): -57.5009 -57.5009 -30.4022 -30.3982 -21.8170 -21.8035 -21.6526 -21.6517 -4.5858 -4.5852 -4.5061 -4.5060 -3.7868 -3.7836 -3.7068 -3.7066 -3.5461 -3.5458 -2.2677 -2.2305 -2.2111 -2.1879 4.3103 4.3400 5.0656 5.1188 5.3743 5.3755 6.7996 6.8384 7.2852 7.3147 7.8699 8.0073 8.6600 8.7198 9.2161 9.2689 10.5724 10.7607 13.5905 13.7890 13.9348 14.0855 14.2593 14.3269 k = 0.4427 0.3879-0.0000 ( 2752 PWs) bands (ev): -57.5008 -57.5008 -30.4027 -30.3983 -21.8167 -21.8018 -21.6549 -21.6541 -4.5845 -4.5839 -4.5051 -4.5050 -3.7865 -3.7831 -3.7055 -3.7053 -3.5491 -3.5488 -2.2626 -2.2250 -2.2063 -2.1781 4.3400 4.3724 5.0716 5.1296 5.3721 5.3736 6.7767 6.8147 7.2817 7.3034 7.7794 7.9119 8.6990 8.7557 9.2458 9.3005 10.5887 10.7862 13.5691 13.7743 13.9535 14.0928 14.2531 14.3128 k = 0.4375 0.3969-0.0000 ( 2752 PWs) bands (ev): -57.5008 -57.5008 -30.4031 -30.3984 -21.8164 -21.8000 -21.6573 -21.6567 -4.5833 -4.5825 -4.5040 -4.5040 -3.7862 -3.7825 -3.7040 -3.7038 -3.5523 -3.5520 -2.2570 -2.2194 -2.2013 -2.1675 4.3724 4.4074 5.0782 5.1409 5.3691 5.3710 6.7547 6.7917 7.2768 7.2870 7.6888 7.8128 8.7416 8.7959 9.2771 9.3334 10.6063 10.8117 13.5403 13.7404 13.9768 14.0770 14.2260 14.3239 k = 0.4323 0.4059-0.0000 ( 2752 PWs) bands (ev): -57.5007 -57.5007 -30.4036 -30.3985 -21.8160 -21.7981 -21.6597 -21.6594 -4.5820 -4.5812 -4.5028 -4.5028 -3.7858 -3.7818 -3.7024 -3.7022 -3.5557 -3.5554 -2.2508 -2.2138 -2.1960 -2.1564 4.4075 4.4450 5.0855 5.1527 5.3652 5.3676 6.7341 6.7700 7.2633 7.2703 7.6011 7.7109 8.7877 8.8403 9.3098 9.3677 10.6251 10.8373 13.5040 13.6920 13.9902 14.0410 14.1577 14.2960 k = 0.4271 0.4150-0.0000 ( 2760 PWs) bands (ev): -57.5007 -57.5007 -30.4041 -30.3987 -21.8157 -21.7962 -21.6624 -21.6622 -4.5807 -4.5798 -4.5016 -4.5016 -3.7853 -3.7812 -3.7007 -3.7005 -3.5593 -3.5590 -2.2441 -2.2080 -2.1906 -2.1448 4.4451 4.4850 5.0934 5.1649 5.3604 5.3634 6.7152 6.7499 7.2287 7.2621 7.5205 7.6070 8.8372 8.8885 9.3441 9.4035 10.6451 10.8631 13.4598 13.6289 13.9809 13.9904 14.0396 14.1177 k = 0.4219 0.4240-0.0000 ( 2756 PWs) bands (ev): -57.5006 -57.5006 -30.4045 -30.3988 -21.8152 -21.7942 -21.6654 -21.6647 -4.5794 -4.5785 -4.5004 -4.5003 -3.7849 -3.7805 -3.6989 -3.6986 -3.5630 -3.5627 -2.2369 -2.2022 -2.1849 -2.1328 4.4852 4.5273 5.1017 5.1774 5.3546 5.3582 6.6982 6.7319 7.1789 7.2518 7.4521 7.5020 8.8900 8.9405 9.3799 9.4408 10.6663 10.8892 13.4067 13.5458 13.8887 13.8918 13.9578 13.9779 k = 0.4167 0.4330-0.0000 ( 2752 PWs) bands (ev): -57.5005 -57.5005 -30.4049 -30.3990 -21.8147 -21.7920 -21.6685 -21.6673 -4.5781 -4.5772 -4.4991 -4.4990 -3.7843 -3.7798 -3.6969 -3.6967 -3.5669 -3.5666 -2.2294 -2.1964 -2.1792 -2.1206 4.5276 4.5719 5.1106 5.1900 5.3476 5.3521 6.6833 6.7163 7.1121 7.2386 7.3973 7.3986 8.9460 8.9960 9.4174 9.4796 10.6887 10.9156 13.3406 13.4333 13.7146 13.7602 13.9152 13.9156 k = 0.4115 0.4420-0.0000 ( 2750 PWs) bands (ev): -57.5004 -57.5004 -30.4054 -30.3991 -21.8143 -21.7899 -21.6717 -21.6698 -4.5769 -4.5759 -4.4977 -4.4977 -3.7838 -3.7791 -3.6948 -3.6946 -3.5709 -3.5705 -2.2215 -2.1905 -2.1734 -2.1082 4.5723 4.6185 5.1198 5.2028 5.3397 5.3450 6.6706 6.7035 7.0313 7.2177 7.2985 7.3576 9.0051 9.0548 9.4564 9.5199 10.7122 10.9425 13.2516 13.2875 13.5483 13.6514 13.8642 13.8694 k = 0.4062 0.4511-0.0000 ( 2750 PWs) bands (ev): -57.5003 -57.5003 -30.4058 -30.3993 -21.8138 -21.7878 -21.6750 -21.6723 -4.5757 -4.5747 -4.4964 -4.4963 -3.7832 -3.7784 -3.6926 -3.6923 -3.5749 -3.5746 -2.2134 -2.1847 -2.1676 -2.0958 4.6191 4.6670 5.1294 5.2155 5.3307 5.3371 6.6596 6.6936 6.9424 7.1593 7.2356 7.3245 9.0670 9.1167 9.4971 9.5618 10.7368 10.9697 13.1175 13.1245 13.4165 13.5619 13.8162 13.8225 k = 0.4010 0.4601-0.0000 ( 2750 PWs) bands (ev): -57.5002 -57.5002 -30.4062 -30.3995 -21.8134 -21.7856 -21.6783 -21.6748 -4.5746 -4.5736 -4.4951 -4.4950 -3.7826 -3.7777 -3.6903 -3.6900 -3.5791 -3.5787 -2.2052 -2.1789 -2.1619 -2.0834 4.6679 4.7171 5.1392 5.2280 5.3207 5.3285 6.6492 6.6867 6.8509 7.0623 7.2106 7.2957 9.1315 9.1814 9.5397 9.6053 10.7624 10.9970 12.9355 12.9605 13.3209 13.4826 13.7705 13.7768 k = 0.3958 0.4691-0.0000 ( 2750 PWs) bands (ev): -57.5002 -57.5002 -30.4067 -30.3997 -21.8130 -21.7835 -21.6817 -21.6772 -4.5736 -4.5725 -4.4938 -4.4937 -3.7820 -3.7769 -3.6878 -3.6876 -3.5832 -3.5829 -2.1968 -2.1733 -2.1563 -2.0712 4.7184 4.7688 5.1492 5.2401 5.3100 5.3195 6.6339 6.6831 6.7652 6.9596 7.1910 7.2689 9.1985 9.2485 9.5842 9.6505 10.7888 11.0240 12.7491 12.7774 13.2456 13.4081 13.7271 13.7337 k = 0.3906 0.4781-0.0000 ( 2750 PWs) bands (ev): -57.5001 -57.5001 -30.4071 -30.3999 -21.8127 -21.7813 -21.6849 -21.6794 -4.5727 -4.5715 -4.4925 -4.4924 -3.7814 -3.7762 -3.6853 -3.6851 -3.5874 -3.5870 -2.1885 -2.1678 -2.1509 -2.0593 4.7705 4.8215 5.1594 5.2511 5.2987 5.3106 6.5947 6.6827 6.7061 6.8572 7.1714 7.2429 9.2676 9.3177 9.6311 9.6974 10.8157 11.0499 12.5631 12.5878 13.1794 13.3359 13.6864 13.6937 k = 0.3854 0.4871-0.0000 ( 2754 PWs) bands (ev): -57.5000 -57.5000 -30.4075 -30.4001 -21.8123 -21.7792 -21.6882 -21.6816 -4.5718 -4.5706 -4.4913 -4.4911 -3.7807 -3.7754 -3.6828 -3.6826 -3.5915 -3.5911 -2.1803 -2.1625 -2.1457 -2.0478 4.8239 4.8751 5.1695 5.2601 5.2869 5.3031 6.5196 6.6854 6.6868 6.7568 7.1510 7.2171 9.3385 9.3883 9.6807 9.7461 10.8425 11.0733 12.3808 12.3976 13.1180 13.2650 13.6485 13.6572 k = 0.3802 0.4962-0.0000 ( 2758 PWs) bands (ev): -57.5000 -57.5000 -30.4079 -30.4003 -21.8121 -21.7772 -21.6914 -21.6836 -4.5710 -4.5698 -4.4902 -4.4900 -3.7801 -3.7747 -3.6802 -3.6800 -3.5956 -3.5952 -2.1723 -2.1575 -2.1409 -2.0368 4.8783 4.9290 5.1797 5.2642 5.2751 5.2998 6.4313 6.6589 6.6855 6.6916 7.1296 7.1912 9.4108 9.4595 9.7336 9.7967 10.8685 11.0920 12.2056 12.2100 13.0598 13.1956 13.6138 13.6245 k = 0.3750 0.5052-0.0000 ( 2750 PWs) bands (ev): -57.4999 -57.4999 -30.4082 -30.4004 -21.8118 -21.7752 -21.6943 -21.6854 -4.5703 -4.5691 -4.4891 -4.4889 -3.7795 -3.7740 -3.6776 -3.6774 -3.5995 -3.5991 -2.1645 -2.1528 -2.1364 -2.0264 4.9331 4.9826 5.1897 5.2614 5.2634 5.3029 6.3416 6.5651 6.6912 6.7003 7.1071 7.1652 9.4838 9.5304 9.7904 9.8492 10.8925 11.1019 12.0274 12.0419 13.0046 13.1282 13.5824 13.5957 k = 0.3698 0.5142-0.0000 ( 2748 PWs) bands (ev): -57.4998 -57.4998 -30.4085 -30.4006 -21.8116 -21.7733 -21.6971 -21.6870 -4.5697 -4.5684 -4.4881 -4.4879 -3.7789 -3.7733 -3.6750 -3.6749 -3.6032 -3.6028 -2.1572 -2.1484 -2.1323 -2.0168 4.9879 5.0349 5.1997 5.2522 5.2543 5.3101 6.2539 6.4759 6.7009 6.7120 7.0838 7.1391 9.5570 9.5999 9.8520 9.9035 10.9126 11.0970 11.8527 11.8963 12.9526 13.0634 13.5547 13.5707 k = 0.3646 0.5232-0.0000 ( 2752 PWs) bands (ev): -57.4998 -57.4998 -30.4088 -30.4008 -21.8115 -21.7717 -21.6997 -21.6884 -4.5692 -4.5679 -4.4873 -4.4871 -3.7783 -3.7727 -3.6726 -3.6725 -3.6067 -3.6063 -2.1503 -2.1445 -2.1288 -2.0081 5.0417 5.0848 5.2096 5.2421 5.2458 5.3185 6.1703 6.3924 6.7134 6.7262 7.0596 7.1131 9.6296 9.6669 9.9190 9.9593 10.9257 11.0684 11.6896 11.7776 12.9046 13.0024 13.5307 13.5495 k = 0.3594 0.5322-0.0000 ( 2740 PWs) bands (ev): -57.4997 -57.4997 -30.4089 -30.4008 -21.8114 -21.7701 -21.7018 -21.6895 -4.5687 -4.5674 -4.4865 -4.4863 -3.7778 -3.7721 -3.6703 -3.6702 -3.6098 -3.6094 -2.1440 -2.1410 -2.1258 -2.0003 5.0935 5.1299 5.2196 5.2341 5.2375 5.3270 6.0924 6.3161 6.7280 6.7426 7.0349 7.0877 9.7009 9.7305 9.9916 10.0157 10.9270 11.0081 11.5443 11.6935 12.8613 12.9466 13.5105 13.5320 k = 0.3542 0.5413-0.0000 ( 2734 PWs) bands (ev): -57.4996 -57.4996 -30.4091 -30.4009 -21.8113 -21.7688 -21.7037 -21.6905 -4.5683 -4.5670 -4.4859 -4.4856 -3.7773 -3.7716 -3.6682 -3.6681 -3.6126 -3.6122 -2.1384 -2.1381 -2.1235 -1.9937 5.1414 5.1660 5.2251 5.2299 5.2354 5.3352 6.0221 6.2488 6.7436 6.7609 7.0101 7.0633 9.7698 9.7899 10.0694 10.0708 10.9095 10.9161 11.4260 11.6444 12.8237 12.8974 13.4941 13.5181 k = 0.3490 0.5503-0.0000 ( 2734 PWs) bands (ev): -57.4996 -57.4996 -30.4093 -30.4010 -21.8113 -21.7678 -21.7053 -21.6912 -4.5680 -4.5667 -4.4854 -4.4852 -3.7769 -3.7712 -3.6665 -3.6664 -3.6149 -3.6145 -2.1357 -2.1336 -2.1219 -1.9884 5.1830 5.1868 5.2235 5.2254 5.2512 5.3430 5.9617 6.1926 6.7593 6.7801 6.9859 7.0410 9.8352 9.8444 10.1208 10.1511 10.8021 10.8684 11.3437 11.6212 12.7930 12.8566 13.4816 13.5076 k = 0.3438 0.5593-0.0000 ( 2738 PWs) bands (ev): -57.4996 -57.4996 -30.4094 -30.4011 -21.8114 -21.7672 -21.7064 -21.6918 -4.5679 -4.5665 -4.4851 -4.4848 -3.7767 -3.7709 -3.6652 -3.6651 -3.6166 -3.6162 -2.1340 -2.1297 -2.1209 -1.9845 5.1926 5.2145 5.2194 5.2293 5.2701 5.3501 5.9145 6.1500 6.7734 6.7989 6.9635 7.0223 9.8923 9.8947 10.1591 10.2343 10.6801 10.8119 11.2974 11.6127 12.7700 12.8257 13.4728 13.5004 k = 0.3385 0.5683-0.0000 ( 2742 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7668 -21.7071 -21.6921 -4.5677 -4.5664 -4.4849 -4.4846 -3.7765 -3.7707 -3.6644 -3.6644 -3.6177 -3.6172 -2.1329 -2.1270 -2.1206 -1.9820 5.1927 5.2153 5.2334 5.2358 5.2839 5.3557 5.8842 6.1235 6.7837 6.8143 6.9460 7.0092 9.9292 9.9431 10.1773 10.3118 10.5685 10.7632 11.2767 11.6109 12.7558 12.8065 13.4676 13.4962 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7666 -21.7073 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7764 -3.7707 -3.6641 -3.6641 -3.6180 -3.6175 -2.1326 -2.1260 -2.1207 -1.9812 5.1923 5.2142 5.2352 5.2425 5.2887 5.3579 5.8738 6.1145 6.7876 6.8209 6.9387 7.0044 9.9452 9.9652 10.1782 10.3520 10.5128 10.7448 11.2713 11.6108 12.7510 12.7999 13.4659 13.4949 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7666 -21.7073 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7764 -3.7707 -3.6641 -3.6641 -3.6180 -3.6175 -2.1326 -2.1260 -2.1207 -1.9812 5.1923 5.2142 5.2352 5.2425 5.2887 5.3579 5.8738 6.1145 6.7876 6.8209 6.9387 7.0044 9.9452 9.9652 10.1782 10.3520 10.5128 10.7448 11.2713 11.6108 12.7510 12.7999 13.4659 13.4949 k = 0.3280 0.5682-0.0000 ( 2741 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7668 -21.7071 -21.6921 -4.5677 -4.5664 -4.4849 -4.4846 -3.7765 -3.7707 -3.6644 -3.6643 -3.6177 -3.6172 -2.1330 -2.1271 -2.1206 -1.9821 5.1930 5.2154 5.2324 5.2360 5.2848 5.3555 5.8842 6.1235 6.7833 6.8137 6.9466 7.0096 9.9219 9.9343 10.1885 10.3289 10.5588 10.7616 11.2760 11.6107 12.7560 12.8067 13.4676 13.4962 k = 0.3228 0.5590-0.0000 ( 2735 PWs) bands (ev): -57.4996 -57.4996 -30.4094 -30.4011 -21.8113 -21.7671 -21.7064 -21.6918 -4.5678 -4.5665 -4.4851 -4.4848 -3.7767 -3.7710 -3.6651 -3.6650 -3.6167 -3.6163 -2.1342 -2.1302 -2.1210 -1.9849 5.1952 5.2177 5.2191 5.2213 5.2771 5.3489 5.9133 6.1489 6.7712 6.7955 6.9669 7.0245 9.8488 9.8500 10.2206 10.3197 10.6398 10.8023 11.2903 11.6111 12.7708 12.8266 13.4724 13.4999 k = 0.3175 0.5499-0.0000 ( 2743 PWs) bands (ev): -57.4996 -57.4996 -30.4093 -30.4011 -21.8112 -21.7677 -21.7054 -21.6913 -4.5681 -4.5667 -4.4854 -4.4852 -3.7771 -3.7714 -3.6661 -3.6661 -3.6153 -3.6149 -2.1362 -2.1349 -2.1222 -1.9896 5.1907 5.1934 5.2043 5.2252 5.2715 5.3395 5.9568 6.1881 6.7532 6.7716 6.9943 7.0471 9.7372 9.7409 10.2617 10.3389 10.7247 10.8527 11.3171 11.6147 12.7949 12.8585 13.4802 13.5057 k = 0.3122 0.5407-0.0000 ( 2747 PWs) bands (ev): -57.4997 -57.4997 -30.4091 -30.4010 -21.8110 -21.7683 -21.7041 -21.6907 -4.5683 -4.5670 -4.4859 -4.4857 -3.7776 -3.7719 -3.6674 -3.6674 -3.6135 -3.6131 -2.1411 -2.1391 -2.1244 -1.9964 5.1580 5.1636 5.2070 5.2342 5.2692 5.3279 6.0107 6.2381 6.7316 6.7451 7.0255 7.0752 9.6123 9.6172 10.3020 10.3722 10.8063 10.9029 11.3603 11.6255 12.8272 12.9005 13.4906 13.5134 k = 0.3069 0.5315-0.0000 ( 2749 PWs) bands (ev): -57.4997 -57.4997 -30.4089 -30.4008 -21.8106 -21.7691 -21.7025 -21.6899 -4.5687 -4.5674 -4.4865 -4.4863 -3.7783 -3.7726 -3.6689 -3.6688 -3.6115 -3.6111 -2.1489 -2.1429 -2.1276 -2.0054 5.1225 5.1254 5.2128 5.2458 5.2698 5.3145 6.0715 6.2962 6.7080 6.7176 7.0592 7.1072 9.4831 9.4883 10.3361 10.4090 10.8812 10.9491 11.4226 11.6486 12.8665 12.9504 13.5033 13.5226 k = 0.3016 0.5224-0.0000 ( 2749 PWs) bands (ev): -57.4998 -57.4998 -30.4086 -30.4006 -21.8101 -21.7697 -21.7007 -21.6889 -4.5691 -4.5678 -4.4872 -4.4870 -3.7792 -3.7736 -3.6703 -3.6702 -3.6094 -3.6089 -2.1585 -2.1476 -2.1319 -2.0165 5.0839 5.0863 5.2171 5.2594 5.2747 5.2997 6.1371 6.3604 6.6837 6.6898 7.0945 7.1419 9.3534 9.3590 10.3605 10.4431 10.9488 10.9931 11.5031 11.6880 12.9114 13.0060 13.5179 13.5332 k = 0.2963 0.5132-0.0000 ( 2751 PWs) bands (ev): -57.4999 -57.4999 -30.4082 -30.4003 -21.8094 -21.7704 -21.6987 -21.6879 -4.5696 -4.5683 -4.4880 -4.4878 -3.7802 -3.7746 -3.6718 -3.6716 -3.6072 -3.6067 -2.1697 -2.1532 -2.1374 -2.0299 5.0411 5.0507 5.2178 5.2682 5.2855 5.2908 6.2057 6.4290 6.6596 6.6622 7.1310 7.1787 9.2254 9.2317 10.3726 10.4695 11.0107 11.0395 11.5986 11.7458 12.9603 13.0648 13.5340 13.5450 k = 0.2910 0.5040-0.0000 ( 2751 PWs) bands (ev): -57.5000 -57.5000 -30.4077 -30.4000 -21.8085 -21.7709 -21.6965 -21.6867 -4.5701 -4.5688 -4.4889 -4.4887 -3.7815 -3.7759 -3.6732 -3.6730 -3.6050 -3.6045 -2.1828 -2.1598 -2.1438 -2.0456 4.9978 5.0164 5.2146 5.2544 5.3025 5.3052 6.2757 6.5004 6.6356 6.6366 7.1685 7.2171 9.1005 9.1078 10.3715 10.4847 11.0711 11.0926 11.7056 11.8216 13.0117 13.1241 13.5511 13.5580 k = 0.2857 0.4949-0.0000 ( 2743 PWs) bands (ev): -57.5001 -57.5001 -30.4071 -30.3995 -21.8074 -21.7713 -21.6942 -21.6854 -4.5707 -4.5695 -4.4898 -4.4896 -3.7828 -3.7773 -3.6744 -3.6742 -3.6029 -3.6024 -2.1978 -2.1673 -2.1514 -2.0635 4.9546 4.9837 5.2086 5.2330 5.3248 5.3286 6.3453 6.5697 6.6143 6.6164 7.2066 7.2567 8.9795 8.9881 10.3581 10.4871 11.1348 11.1546 11.8211 11.9125 13.0641 13.1813 13.5685 13.5727 k = 0.2804 0.4857-0.0000 ( 2743 PWs) bands (ev): -57.5002 -57.5002 -30.4066 -30.3991 -21.8061 -21.7715 -21.6918 -21.6840 -4.5714 -4.5701 -4.4909 -4.4907 -3.7844 -3.7789 -3.6756 -3.6754 -3.6009 -3.6005 -2.2147 -2.1757 -2.1599 -2.0836 4.9115 4.9522 5.2009 5.2095 5.3516 5.3561 6.4106 6.5767 6.6023 6.6580 7.2452 7.2971 8.8628 8.8728 10.3345 10.4768 11.2050 11.2259 11.9430 12.0154 13.1161 13.2335 13.5858 13.5893 k = 0.2751 0.4765-0.0000 ( 2749 PWs) bands (ev): -57.5004 -57.5004 -30.4060 -30.3986 -21.8047 -21.7716 -21.6894 -21.6825 -4.5722 -4.5709 -4.4920 -4.4918 -3.7861 -3.7807 -3.6766 -3.6764 -3.5991 -3.5987 -2.2335 -2.1852 -2.1694 -2.1060 4.8684 4.9213 5.1853 5.1925 5.3824 5.3871 6.4617 6.5537 6.6043 6.7339 7.2840 7.3383 8.7508 8.7624 10.3031 10.4558 11.2832 11.3059 12.0696 12.1271 13.1664 13.2776 13.6022 13.6086 k = 0.2698 0.4674-0.0000 ( 2757 PWs) bands (ev): -57.5005 -57.5005 -30.4053 -30.3982 -21.8030 -21.7715 -21.6870 -21.6811 -4.5730 -4.5718 -4.4932 -4.4930 -3.7879 -3.7826 -3.6775 -3.6773 -3.5975 -3.5971 -2.2542 -2.1955 -2.1800 -2.1306 4.8250 4.8899 5.1621 5.1843 5.4170 5.4214 6.4825 6.5303 6.6381 6.8123 7.3230 7.3800 8.6438 8.6567 10.2663 10.4267 11.3695 11.3939 12.1997 12.2452 13.2137 13.3111 13.6168 13.6306 k = 0.2646 0.4582-0.0000 ( 2761 PWs) bands (ev): -57.5007 -57.5007 -30.4045 -30.3976 -21.8011 -21.7711 -21.6845 -21.6795 -4.5739 -4.5727 -4.4944 -4.4942 -3.7899 -3.7846 -3.6783 -3.6780 -3.5961 -3.5957 -2.2769 -2.2070 -2.1914 -2.1572 4.7806 4.8564 5.1415 5.1771 5.4552 5.4589 6.4791 6.5078 6.6975 6.8913 7.3620 7.4220 8.5416 8.5559 10.2261 10.3920 11.4634 11.4887 12.3323 12.3674 13.2570 13.3328 13.6290 13.6544 k = 0.2593 0.4491-0.0000 ( 2757 PWs) bands (ev): -57.5009 -57.5009 -30.4037 -30.3969 -21.7988 -21.7705 -21.6819 -21.6779 -4.5749 -4.5737 -4.4956 -4.4954 -3.7920 -3.7867 -3.6789 -3.6787 -3.5950 -3.5945 -2.3015 -2.2197 -2.2037 -2.1854 4.7348 4.8193 5.1252 5.1718 5.4968 5.4996 6.4671 6.4867 6.7670 6.9706 7.4008 7.4642 8.4443 8.4597 10.1842 10.3540 11.5643 11.5899 12.4666 12.4917 13.2955 13.3431 13.6378 13.6772 k = 0.2540 0.4399-0.0000 ( 2757 PWs) bands (ev): -57.5011 -57.5011 -30.4027 -30.3962 -21.7964 -21.7696 -21.6793 -21.6762 -4.5759 -4.5747 -4.4969 -4.4967 -3.7943 -3.7890 -3.6795 -3.6792 -3.5941 -3.5936 -2.3279 -2.2349 -2.2169 -2.2141 4.6869 4.7773 5.1147 5.1690 5.5418 5.5433 6.4529 6.4670 6.8397 7.0498 7.4392 7.5064 8.3519 8.3680 10.1419 10.3145 11.6716 11.6966 12.6012 12.6159 13.3285 13.3434 13.6426 13.6955 k = 0.2487 0.4307-0.0000 ( 2757 PWs) bands (ev): -57.5013 -57.5013 -30.4017 -30.3954 -21.7937 -21.7684 -21.6768 -21.6745 -4.5771 -4.5759 -4.4982 -4.4980 -3.7967 -3.7914 -3.6799 -3.6796 -3.5934 -3.5929 -2.3561 -2.2575 -2.2380 -2.2310 4.6366 4.7296 5.1110 5.1696 5.5899 5.5899 6.4389 6.4490 6.9135 7.1284 7.4771 7.5485 8.2642 8.2805 10.1003 10.2749 11.7847 11.8085 12.7349 12.7371 13.3364 13.3554 13.6429 13.7062 k = 0.2434 0.4216-0.0000 ( 2757 PWs) bands (ev): -57.5015 -57.5015 -30.4007 -30.3946 -21.7907 -21.7670 -21.6743 -21.6727 -4.5783 -4.5771 -4.4995 -4.4993 -3.7991 -3.7939 -3.6803 -3.6799 -3.5930 -3.5925 -2.3861 -2.2893 -2.2553 -2.2458 4.5833 4.6763 5.1143 5.1740 5.6391 5.6411 6.4261 6.4329 6.9871 7.2061 7.5141 7.5902 8.1811 8.1971 10.0604 10.2363 11.9033 11.9252 12.8506 12.8656 13.3254 13.3764 13.6385 13.7080 k = 0.2381 0.4124-0.0000 ( 2759 PWs) bands (ev): -57.5018 -57.5018 -30.3996 -30.3937 -21.7875 -21.7654 -21.6717 -21.6710 -4.5796 -4.5784 -4.5008 -4.5007 -3.8017 -3.7966 -3.6805 -3.6802 -3.5928 -3.5924 -2.4176 -2.3248 -2.2713 -2.2613 4.5270 4.6176 5.1245 5.1828 5.6908 5.6950 6.4150 6.4188 7.0600 7.2826 7.5500 7.6313 8.1027 8.1176 10.0228 10.1997 12.0269 12.0463 12.9487 12.9900 13.3159 13.3921 13.6296 13.7033 k = 0.2328 0.4032-0.0000 ( 2759 PWs) bands (ev): -57.5020 -57.5020 -30.3984 -30.3927 -21.7840 -21.7635 -21.6692 -21.6692 -4.5809 -4.5798 -4.5021 -4.5020 -3.8045 -3.7993 -3.6808 -3.6804 -3.5929 -3.5925 -2.4507 -2.3624 -2.2874 -2.2776 4.4675 4.5543 5.1412 5.1962 5.7446 5.7514 6.4061 6.4070 7.1316 7.3572 7.5842 7.6714 8.0294 8.0422 9.9881 10.1658 12.1553 12.1715 13.0187 13.1019 13.3155 13.4053 13.6176 13.6984 k = 0.2275 0.3941-0.0000 ( 2755 PWs) bands (ev): -57.5023 -57.5023 -30.3972 -30.3917 -21.7802 -21.7612 -21.6674 -21.6666 -4.5824 -4.5812 -4.5035 -4.5034 -3.8073 -3.8021 -3.6809 -3.6806 -3.5933 -3.5928 -2.4852 -2.4016 -2.3040 -2.2944 4.4050 4.4868 5.1640 5.2144 5.8001 5.8098 6.3978 6.4000 7.2015 7.4291 7.6155 7.7091 7.9624 7.9716 9.9569 10.1350 12.2882 12.3004 13.0492 13.1901 13.3279 13.4219 13.6054 13.7026 k = 0.2222 0.3849-0.0000 ( 2755 PWs) bands (ev): -57.5026 -57.5026 -30.3959 -30.3907 -21.7763 -21.7588 -21.6656 -21.6642 -4.5840 -4.5828 -4.5048 -4.5047 -3.8102 -3.8051 -3.6810 -3.6807 -3.5938 -3.5934 -2.5209 -2.4422 -2.3210 -2.3119 4.3396 4.4159 5.1925 5.2376 5.8566 5.8699 6.3917 6.3973 7.2690 7.4966 7.6420 7.7410 7.9048 7.9095 9.9294 10.1077 12.4252 12.4325 13.0445 13.2399 13.3408 13.4469 13.5996 13.7235 k = 0.2169 0.3757-0.0000 ( 2755 PWs) bands (ev): -57.5029 -57.5029 -30.3945 -30.3896 -21.7721 -21.7561 -21.6637 -21.6617 -4.5856 -4.5845 -4.5061 -4.5061 -3.8133 -3.8082 -3.6812 -3.6808 -3.5946 -3.5941 -2.5578 -2.4839 -2.3386 -2.3299 4.2716 4.3422 5.2264 5.2655 5.9132 5.9305 6.3895 6.3987 7.3332 7.5539 7.6620 7.7525 7.8632 7.8704 9.9062 10.0844 12.5660 12.5672 13.0193 13.2511 13.3399 13.4657 13.6124 13.7593 k = 0.2116 0.3666-0.0000 ( 2751 PWs) bands (ev): -57.5032 -57.5032 -30.3931 -30.3884 -21.7677 -21.7532 -21.6618 -21.6591 -4.5874 -4.5862 -4.5074 -4.5074 -3.8165 -3.8114 -3.6813 -3.6809 -3.5955 -3.5951 -2.5957 -2.5266 -2.3566 -2.3484 4.2013 4.2662 5.2654 5.2983 5.9687 5.9906 6.3924 6.4056 7.3925 7.5810 7.6859 7.7240 7.8466 7.8751 9.8873 10.0652 12.7032 12.7095 12.9847 13.2396 13.3243 13.4621 13.6433 13.7984 k = 0.2063 0.3574-0.0000 ( 2751 PWs) bands (ev): -57.5035 -57.5035 -30.3917 -30.3872 -21.7631 -21.7501 -21.6599 -21.6566 -4.5892 -4.5881 -4.5088 -4.5087 -3.8199 -3.8148 -3.6814 -3.6811 -3.5966 -3.5962 -2.6345 -2.5701 -2.3750 -2.3673 4.1291 4.1884 5.3090 5.3358 6.0215 6.0482 6.4020 6.4193 7.4424 7.5613 7.6790 7.7293 7.8553 7.9039 9.8730 10.0503 12.8379 12.8494 12.9520 13.2185 13.2997 13.4437 13.6749 13.8298 k = 0.2011 0.3482-0.0000 ( 2751 PWs) bands (ev): -57.5038 -57.5038 -30.3902 -30.3859 -21.7584 -21.7468 -21.6580 -21.6541 -4.5912 -4.5901 -4.5101 -4.5101 -3.8235 -3.8183 -3.6816 -3.6812 -3.5978 -3.5974 -2.6740 -2.6142 -2.3938 -2.3865 4.0552 4.1093 5.3571 5.3778 6.0694 6.1005 6.4211 6.4417 7.4705 7.5159 7.6473 7.7795 7.8804 7.9391 9.8635 10.0398 12.8878 12.9633 13.0194 13.2005 13.2728 13.4188 13.6987 13.8487 k = 0.1958 0.3391-0.0000 ( 2755 PWs) bands (ev): -57.5042 -57.5042 -30.3887 -30.3847 -21.7536 -21.7434 -21.6560 -21.6516 -4.5933 -4.5922 -4.5115 -4.5114 -3.8272 -3.8221 -3.6818 -3.6815 -3.5992 -3.5988 -2.7140 -2.6587 -2.4129 -2.4061 3.9802 4.0293 5.4095 5.4243 6.1108 6.1446 6.4523 6.4746 7.4578 7.4604 7.6520 7.8269 7.9154 7.9758 9.8589 10.0337 12.8508 13.0478 13.1462 13.2172 13.2630 13.3911 13.7168 13.8554 k = 0.1905 0.3299-0.0000 ( 2759 PWs) bands (ev): -57.5045 -57.5045 -30.3872 -30.3834 -21.7487 -21.7398 -21.6539 -21.6491 -4.5955 -4.5944 -4.5128 -4.5128 -3.8311 -3.8260 -3.6821 -3.6818 -3.6005 -3.6002 -2.7545 -2.7035 -2.4323 -2.4260 3.9044 3.9487 5.4659 5.4749 6.1445 6.1788 6.4973 6.5187 7.4006 7.4132 7.6851 7.8689 7.9563 8.0128 9.8592 10.0322 12.8110 13.0566 13.1729 13.2975 13.3591 13.3641 13.7375 13.8523 k = 0.1852 0.3208-0.0000 ( 2761 PWs) bands (ev): -57.5049 -57.5049 -30.3856 -30.3821 -21.7438 -21.7361 -21.6518 -21.6464 -4.5979 -4.5968 -4.5142 -4.5141 -3.8353 -3.8302 -3.6825 -3.6822 -3.6019 -3.6016 -2.7952 -2.7484 -2.4519 -2.4461 3.8279 3.8680 5.5260 5.5296 6.1711 6.2038 6.5550 6.5734 7.3389 7.3565 7.7275 7.9064 7.9998 8.0493 9.8646 10.0352 12.7730 13.0335 13.1466 13.3255 13.3997 13.5101 13.7754 13.8430 k = 0.1799 0.3116-0.0000 ( 2759 PWs) bands (ev): -57.5052 -57.5052 -30.3840 -30.3807 -21.7387 -21.7322 -21.6495 -21.6438 -4.6004 -4.5993 -4.5155 -4.5155 -3.8397 -3.8346 -3.6829 -3.6827 -3.6033 -3.6030 -2.8359 -2.7931 -2.4717 -2.4663 3.7513 3.7873 5.5882 5.5897 6.1919 6.2218 6.6231 6.6370 7.2762 7.2955 7.7713 7.9407 8.0431 8.0850 9.8751 10.0427 12.7378 13.0042 13.1146 13.2965 13.4614 13.6614 13.8365 13.8485 k = 0.1746 0.3024-0.0000 ( 2759 PWs) bands (ev): -57.5056 -57.5056 -30.3824 -30.3793 -21.7337 -21.7284 -21.6471 -21.6410 -4.6030 -4.6019 -4.5169 -4.5169 -3.8443 -3.8392 -3.6835 -3.6833 -3.6046 -3.6043 -2.8766 -2.8376 -2.4915 -2.4866 3.6748 3.7071 5.6504 5.6568 6.2086 6.2355 6.6987 6.7074 7.2131 7.2329 7.8140 7.9730 8.0841 8.1195 9.8907 10.0547 12.7060 12.9750 13.0823 13.2659 13.4869 13.7503 13.8915 13.9591 k = 0.1693 0.2933-0.0000 ( 2753 PWs) bands (ev): -57.5060 -57.5060 -30.3807 -30.3778 -21.7287 -21.7245 -21.6446 -21.6382 -4.6057 -4.6046 -4.5182 -4.5182 -3.8493 -3.8442 -3.6843 -3.6840 -3.6058 -3.6056 -2.9170 -2.8817 -2.5115 -2.5070 3.5986 3.6276 5.7162 5.7270 6.2227 6.2466 6.7797 6.7827 7.1499 7.1702 7.8545 8.0040 8.1216 8.1525 9.9114 10.0712 12.6781 12.9479 13.0509 13.2353 13.4874 13.7441 14.0400 14.0903 k = 0.1640 0.2841-0.0000 ( 2751 PWs) bands (ev): -57.5063 -57.5063 -30.3790 -30.3763 -21.7238 -21.7206 -21.6418 -21.6352 -4.6086 -4.6075 -4.5196 -4.5196 -3.8545 -3.8495 -3.6852 -3.6850 -3.6069 -3.6067 -2.9570 -2.9252 -2.5314 -2.5273 3.5231 3.5489 5.7852 5.8001 6.2351 6.2563 6.8608 6.8647 7.0869 7.1087 7.8926 8.0341 8.1550 8.1840 9.9373 10.0921 12.6544 12.9238 13.0208 13.2050 13.4744 13.7179 14.2047 14.2151 k = 0.1587 0.2749-0.0000 ( 2749 PWs) bands (ev): -57.5067 -57.5067 -30.3773 -30.3748 -21.7190 -21.7167 -21.6389 -21.6321 -4.6117 -4.6106 -4.5210 -4.5210 -3.8601 -3.8551 -3.6862 -3.6860 -3.6078 -3.6076 -2.9964 -2.9679 -2.5514 -2.5476 3.4484 3.4714 5.8572 5.8760 6.2465 6.2653 6.9355 6.9523 7.0245 7.0538 7.9278 8.0634 8.1838 8.2136 9.9681 10.1174 12.6349 12.9033 12.9924 13.1754 13.4543 13.6864 14.2794 14.3576 k = 0.1534 0.2658-0.0000 ( 2743 PWs) bands (ev): -57.5071 -57.5071 -30.3756 -30.3733 -21.7144 -21.7129 -21.6358 -21.6289 -4.6149 -4.6138 -4.5224 -4.5224 -3.8661 -3.8612 -3.6874 -3.6873 -3.6085 -3.6084 -3.0351 -3.0097 -2.5712 -2.5677 3.3747 3.3952 5.9322 5.9543 6.2575 6.2741 6.9556 6.9609 7.0438 7.0565 7.9602 8.0922 8.2078 8.2415 10.0038 10.1470 12.6196 12.8865 12.9660 13.1466 13.4304 13.6524 14.2751 14.4256 k = 0.1481 0.2566-0.0000 ( 2745 PWs) bands (ev): -57.5075 -57.5075 -30.3739 -30.3718 -21.7100 -21.7093 -21.6325 -21.6256 -4.6183 -4.6172 -4.5238 -4.5238 -3.8725 -3.8676 -3.6888 -3.6887 -3.6091 -3.6089 -3.0730 -3.0504 -2.5908 -2.5878 3.3023 3.3204 6.0097 6.0349 6.2683 6.2829 6.8995 6.9052 7.1318 7.1354 7.9896 8.1206 8.2269 8.2677 10.0442 10.1806 12.6085 12.8736 12.9417 13.1187 13.4044 13.6170 14.2472 14.4101 k = 0.1429 0.2474-0.0000 ( 2741 PWs) bands (ev): -57.5079 -57.5079 -30.3722 -30.3703 -21.7059 -21.7057 -21.6289 -21.6220 -4.6218 -4.6208 -4.5252 -4.5252 -3.8792 -3.8745 -3.6903 -3.6902 -3.6094 -3.6092 -3.1098 -3.0899 -2.6103 -2.6075 3.2313 3.2474 6.0897 6.1175 6.2790 6.2918 6.8386 6.8464 7.2177 7.2285 8.0158 8.1485 8.2414 8.2925 10.0889 10.2182 12.6015 12.8644 12.9196 13.0918 13.3777 13.5809 14.2110 14.3764 k = 0.1376 0.2383-0.0000 ( 2749 PWs) bands (ev): -57.5083 -57.5083 -30.3706 -30.3689 -21.7024 -21.7021 -21.6251 -21.6184 -4.6255 -4.6245 -4.5267 -4.5267 -3.8864 -3.8818 -3.6920 -3.6919 -3.6095 -3.6094 -3.1455 -3.1281 -2.6296 -2.6271 3.1620 3.1761 6.1719 6.2016 6.2898 6.3008 6.7786 6.7871 7.3061 7.3225 8.0387 8.1760 8.2515 8.3162 10.1377 10.2594 12.5982 12.8587 12.9000 13.0659 13.3510 13.5447 14.1705 14.3368 k = 0.1323 0.2291-0.0000 ( 2753 PWs) bands (ev): -57.5086 -57.5086 -30.3689 -30.3674 -21.6992 -21.6986 -21.6210 -21.6146 -4.6294 -4.6284 -4.5281 -4.5281 -3.8941 -3.8896 -3.6938 -3.6938 -3.6094 -3.6093 -3.1799 -3.1648 -2.6485 -2.6463 3.0943 3.1067 6.2558 6.2853 6.3024 6.3102 6.7197 6.7286 7.3953 7.4170 8.0581 8.2025 8.2581 8.3393 10.1901 10.3040 12.5985 12.8563 12.8828 13.0411 13.3250 13.5087 14.1273 14.2938 k = 0.1270 0.2199-0.0000 ( 2749 PWs) bands (ev): -57.5090 -57.5090 -30.3673 -30.3659 -21.6962 -21.6953 -21.6166 -21.6106 -4.6334 -4.6325 -4.5296 -4.5296 -3.9021 -3.8978 -3.6957 -3.6957 -3.6091 -3.6090 -3.2129 -3.1999 -2.6671 -2.6652 3.0285 3.0393 6.3102 6.3182 6.3427 6.3742 6.6620 6.6721 7.4847 7.5116 8.0738 8.2262 8.2635 8.3622 10.2457 10.3516 12.6021 12.8569 12.8683 13.0176 13.3003 13.4732 14.0821 14.2485 k = 0.1217 0.2108-0.0000 ( 2747 PWs) bands (ev): -57.5094 -57.5094 -30.3657 -30.3644 -21.6935 -21.6924 -21.6121 -21.6064 -4.6376 -4.6367 -4.5310 -4.5310 -3.9107 -3.9065 -3.6977 -3.6977 -3.6086 -3.6085 -3.2444 -3.2333 -2.6854 -2.6836 2.9647 2.9741 6.3212 6.3282 6.4289 6.4578 6.6061 6.6202 7.5738 7.6058 8.0858 8.2399 8.2753 8.3854 10.3041 10.4019 12.6085 12.8566 12.8601 12.9953 13.2773 13.4387 14.0354 14.2013 k = 0.1164 0.2016-0.0000 ( 2757 PWs) bands (ev): -57.5098 -57.5098 -30.3641 -30.3631 -21.6910 -21.6898 -21.6074 -21.6022 -4.6420 -4.6412 -4.5325 -4.5325 -3.9196 -3.9157 -3.6998 -3.6998 -3.6080 -3.6079 -3.2744 -3.2650 -2.7032 -2.7017 2.9030 2.9111 6.3318 6.3375 6.5126 6.5151 6.5560 6.5970 7.6621 7.6994 8.0941 8.2400 8.2975 8.4093 10.3648 10.4545 12.6175 12.8477 12.8653 12.9744 13.2564 13.4052 13.9875 14.1527 k = 0.1111 0.1925-0.0000 ( 2753 PWs) bands (ev): -57.5101 -57.5101 -30.3626 -30.3616 -21.6887 -21.6875 -21.6025 -21.5977 -4.6465 -4.6457 -4.5340 -4.5340 -3.9289 -3.9253 -3.7019 -3.7019 -3.6071 -3.6071 -3.3026 -3.2947 -2.7206 -2.7192 2.8435 2.8505 6.3422 6.3464 6.4888 6.4947 6.6103 6.6597 7.7492 7.7920 8.0990 8.2334 8.3239 8.4341 10.4271 10.5089 12.6287 12.8417 12.8717 12.9555 13.2380 13.3731 13.9387 14.1031 k = 0.1058 0.1833-0.0000 ( 2753 PWs) bands (ev): -57.5105 -57.5105 -30.3611 -30.3602 -21.6865 -21.6854 -21.5975 -21.5932 -4.6511 -4.6504 -4.5354 -4.5354 -3.9386 -3.9352 -3.7041 -3.7041 -3.6062 -3.6061 -3.3292 -3.3226 -2.7374 -2.7363 2.7863 2.7923 6.3523 6.3543 6.4414 6.4453 6.6992 6.7458 7.8344 7.8830 8.1008 8.2235 8.3516 8.4600 10.4907 10.5645 12.6416 12.8387 12.8779 12.9397 13.2223 13.3425 13.8895 14.0526 k = 0.1005 0.1741-0.0000 ( 2753 PWs) bands (ev): -57.5108 -57.5108 -30.3596 -30.3589 -21.6846 -21.6835 -21.5925 -21.5887 -4.6559 -4.6551 -4.5368 -4.5368 -3.9486 -3.9455 -3.7062 -3.7062 -3.6051 -3.6050 -3.3540 -3.3486 -2.7537 -2.7527 2.7314 2.7365 6.3577 6.3611 6.3937 6.4012 6.7893 6.8348 7.9170 7.9720 8.1006 8.2117 8.3798 8.4869 10.5550 10.6211 12.6559 12.8389 12.8807 12.9298 13.2095 13.3136 13.8400 14.0017 k = 0.0952 0.1650-0.0000 ( 2757 PWs) bands (ev): -57.5111 -57.5111 -30.3582 -30.3576 -21.6829 -21.6819 -21.5875 -21.5842 -4.6607 -4.6600 -4.5383 -4.5383 -3.9589 -3.9560 -3.7084 -3.7084 -3.6039 -3.6039 -3.3770 -3.3726 -2.7694 -2.7686 2.6790 2.6833 6.3353 6.3417 6.3749 6.3844 6.8794 6.9244 7.9947 8.0576 8.1005 8.1992 8.4084 8.5147 10.6194 10.6780 12.6711 12.8421 12.8764 12.9294 13.1996 13.2865 13.7907 13.9506 k = 0.0899 0.1558-0.0000 ( 2757 PWs) bands (ev): -57.5115 -57.5115 -30.3568 -30.3563 -21.6813 -21.6805 -21.5825 -21.5796 -4.6656 -4.6650 -4.5397 -4.5397 -3.9693 -3.9668 -3.7105 -3.7105 -3.6027 -3.6027 -3.3982 -3.3947 -2.7846 -2.7839 2.6291 2.6327 6.2934 6.2967 6.3831 6.3888 6.9691 7.0135 8.0541 8.1141 8.1331 8.1933 8.4372 8.5434 10.6834 10.7348 12.6869 12.8485 12.8665 12.9367 13.1928 13.2615 13.7418 13.8997 k = 0.0847 0.1466-0.0000 ( 2759 PWs) bands (ev): -57.5118 -57.5118 -30.3555 -30.3551 -21.6800 -21.6792 -21.5776 -21.5752 -4.6705 -4.6699 -4.5410 -4.5410 -3.9798 -3.9776 -3.7126 -3.7126 -3.6014 -3.6014 -3.4177 -3.4149 -2.7990 -2.7984 2.5817 2.5847 6.2505 6.2527 6.3918 6.3960 7.0579 7.1017 8.0671 8.1533 8.1697 8.2389 8.4661 8.5727 10.7465 10.7910 12.7029 12.8550 12.8580 12.9475 13.1888 13.2386 13.6938 13.8491 k = 0.0794 0.1375-0.0000 ( 2767 PWs) bands (ev): -57.5121 -57.5121 -30.3544 -30.3540 -21.6788 -21.6781 -21.5729 -21.5708 -4.6754 -4.6749 -4.5424 -4.5424 -3.9903 -3.9884 -3.7147 -3.7147 -3.6001 -3.6001 -3.4355 -3.4333 -2.8128 -2.8123 2.5370 2.5394 6.2090 6.2107 6.4003 6.4034 7.1455 7.1883 8.0624 8.1409 8.2386 8.3134 8.4950 8.6024 10.8082 10.8462 12.7186 12.8439 12.8706 12.9597 13.1875 13.2180 13.6470 13.7993 k = 0.0741 0.1283-0.0000 ( 2775 PWs) bands (ev): -57.5124 -57.5124 -30.3532 -30.3529 -21.6777 -21.6772 -21.5683 -21.5666 -4.6803 -4.6799 -4.5437 -4.5437 -4.0008 -3.9991 -3.7167 -3.7167 -3.5988 -3.5987 -3.4517 -3.4500 -2.8258 -2.8254 2.4949 2.4969 6.1696 6.1709 6.4083 6.4107 7.2312 7.2729 8.0541 8.1250 8.3066 8.3875 8.5238 8.6324 10.8679 10.8998 12.7338 12.8341 12.8861 12.9723 13.1888 13.1997 13.6019 13.7506 k = 0.0688 0.1191-0.0000 ( 2787 PWs) bands (ev): -57.5127 -57.5127 -30.3522 -30.3520 -21.6769 -21.6764 -21.5639 -21.5625 -4.6852 -4.6848 -4.5450 -4.5450 -4.0110 -4.0096 -3.7187 -3.7187 -3.5975 -3.5974 -3.4663 -3.4650 -2.8381 -2.8378 2.4556 2.4571 6.1324 6.1334 6.4158 6.4177 7.3147 7.3549 8.0447 8.1085 8.3716 8.4583 8.5523 8.6623 10.9252 10.9515 12.7483 12.8259 12.9042 12.9848 13.1839 13.1921 13.5592 13.7033 k = 0.0635 0.1100-0.0000 ( 2795 PWs) bands (ev): -57.5130 -57.5130 -30.3512 -30.3510 -21.6761 -21.6757 -21.5597 -21.5586 -4.6899 -4.6896 -4.5462 -4.5462 -4.0209 -4.0198 -3.7205 -3.7205 -3.5962 -3.5961 -3.4793 -3.4784 -2.8497 -2.8494 2.4190 2.4202 6.0976 6.0984 6.4228 6.4242 7.3954 7.4338 8.0350 8.0922 8.4327 8.5248 8.5807 8.6920 10.9797 11.0009 12.7616 12.8195 12.9245 12.9970 13.1709 13.1968 13.5193 13.6579 k = 0.0582 0.1008-0.0000 ( 2795 PWs) bands (ev): -57.5132 -57.5132 -30.3503 -30.3501 -21.6753 -21.6750 -21.5557 -21.5548 -4.6945 -4.6942 -4.5473 -4.5473 -4.0304 -4.0295 -3.7223 -3.7223 -3.5949 -3.5948 -3.4910 -3.4903 -2.8604 -2.8602 2.3852 2.3861 6.0653 6.0659 6.4292 6.4303 7.4726 7.5089 8.0255 8.0764 8.4897 8.5856 8.6096 8.7210 11.0309 11.0475 12.7738 12.8150 12.9463 13.0086 13.1606 13.2023 13.4833 13.6146 k = 0.0529 0.0916-0.0000 ( 2797 PWs) bands (ev): -57.5134 -57.5134 -30.3494 -30.3493 -21.6747 -21.6745 -21.5520 -21.5513 -4.6988 -4.6986 -4.5483 -4.5483 -4.0394 -4.0387 -3.7239 -3.7239 -3.5936 -3.5936 -3.5013 -3.5008 -2.8702 -2.8701 2.3542 2.3549 6.0355 6.0360 6.4351 6.4359 7.5458 7.5796 8.0166 8.0616 8.5421 8.6297 8.6494 8.7492 11.0784 11.0911 12.7847 12.8124 12.9688 13.0195 13.1533 13.2074 13.4520 13.5740 k = 0.0476 0.0825-0.0000 ( 2793 PWs) bands (ev): -57.5136 -57.5136 -30.3485 -30.3484 -21.6741 -21.6740 -21.5485 -21.5480 -4.7029 -4.7028 -4.5493 -4.5493 -4.0477 -4.0472 -3.7254 -3.7254 -3.5924 -3.5924 -3.5103 -3.5099 -2.8792 -2.8791 2.3261 2.3267 6.0084 6.0087 6.4403 6.4409 7.6142 7.6452 8.0086 8.0479 8.5898 8.6571 8.6996 8.7762 11.1220 11.1313 12.7942 12.8115 12.9910 13.0295 13.1493 13.2109 13.4266 13.5365 k = 0.0423 0.0733-0.0000 ( 2793 PWs) bands (ev): -57.5138 -57.5138 -30.3478 -30.3477 -21.6736 -21.6735 -21.5453 -21.5450 -4.7068 -4.7067 -4.5502 -4.5502 -4.0555 -4.0551 -3.7268 -3.7268 -3.5913 -3.5913 -3.5182 -3.5179 -2.8874 -2.8873 2.3009 2.3013 5.9840 5.9842 6.4451 6.4455 7.6772 7.7049 8.0021 8.0357 8.6325 8.6815 8.7460 8.8018 11.1613 11.1679 12.8023 12.8121 13.0119 13.0387 13.1485 13.2114 13.4082 13.5027 k = 0.0370 0.0642-0.0000 ( 2795 PWs) bands (ev): -57.5139 -57.5139 -30.3471 -30.3471 -21.6732 -21.6732 -21.5425 -21.5423 -4.7103 -4.7102 -4.5510 -4.5510 -4.0624 -4.0622 -3.7280 -3.7280 -3.5904 -3.5904 -3.5249 -3.5247 -2.8946 -2.8946 2.2786 2.2789 5.9623 5.9625 6.4492 6.4495 7.7338 7.7577 7.9976 8.0253 8.6701 8.7039 8.7871 8.8257 11.1962 11.2006 12.8090 12.8138 13.0301 13.0471 13.1509 13.2083 13.3972 13.4731 k = 0.0317 0.0550-0.0000 ( 2795 PWs) bands (ev): -57.5141 -57.5141 -30.3466 -30.3465 -21.6729 -21.6729 -21.5401 -21.5399 -4.7134 -4.7133 -4.5517 -4.5517 -4.0686 -4.0685 -3.7291 -3.7291 -3.5895 -3.5895 -3.5306 -3.5305 -2.9009 -2.9009 2.2592 2.2594 5.9435 5.9435 6.4527 6.4529 7.7833 7.8026 7.9955 8.0174 8.7024 8.7243 8.8225 8.8475 11.2266 11.2293 12.8145 12.8163 13.0451 13.0547 13.1557 13.2019 13.3927 13.4485 k = 0.0265 0.0458-0.0000 ( 2795 PWs) bands (ev): -57.5142 -57.5142 -30.3461 -30.3461 -21.6726 -21.6726 -21.5380 -21.5379 -4.7161 -4.7161 -4.5523 -4.5523 -4.0739 -4.0738 -3.7301 -3.7301 -3.5887 -3.5887 -3.5353 -3.5353 -2.9063 -2.9062 2.2428 2.2429 5.9274 5.9275 6.4557 6.4558 7.8244 7.8385 7.9967 8.0123 8.7295 8.7424 8.8522 8.8670 11.2522 11.2538 12.8188 12.8191 13.0568 13.0615 13.1613 13.1937 13.3930 13.4294 k = 0.0212 0.0367-0.0000 ( 2799 PWs) bands (ev): -57.5143 -57.5143 -30.3457 -30.3457 -21.6725 -21.6725 -21.5362 -21.5362 -4.7184 -4.7184 -4.5528 -4.5528 -4.0783 -4.0783 -3.7309 -3.7309 -3.5881 -3.5881 -3.5391 -3.5391 -2.9107 -2.9107 2.2294 2.2294 5.9142 5.9143 6.4582 6.4582 7.8562 7.8650 8.0011 8.0107 8.7512 8.7580 8.8761 8.8839 11.2732 11.2740 12.8219 12.8221 13.0656 13.0675 13.1662 13.1851 13.3958 13.4161 k = 0.0159 0.0275-0.0000 ( 2799 PWs) bands (ev): -57.5144 -57.5144 -30.3454 -30.3454 -21.6723 -21.6723 -21.5349 -21.5349 -4.7202 -4.7202 -4.5532 -4.5532 -4.0818 -4.0818 -3.7315 -3.7315 -3.5876 -3.5876 -3.5420 -3.5420 -2.9141 -2.9141 2.2189 2.2189 5.9040 5.9040 6.4600 6.4601 7.8783 7.8826 8.0080 8.0126 8.7678 8.7707 8.8944 8.8977 11.2894 11.2898 12.8243 12.8245 13.0721 13.0727 13.1689 13.1777 13.3994 13.4084 k = 0.0106 0.0183-0.0000 ( 2795 PWs) bands (ev): -57.5144 -57.5144 -30.3452 -30.3452 -21.6722 -21.6722 -21.5339 -21.5339 -4.7215 -4.7215 -4.5535 -4.5535 -4.0843 -4.0843 -3.7319 -3.7319 -3.5872 -3.5872 -3.5441 -3.5441 -2.9166 -2.9166 2.2114 2.2114 5.8966 5.8966 6.4614 6.4614 7.8917 7.8931 8.0152 8.0166 8.7793 8.7802 8.9071 8.9081 11.3010 11.3011 12.8262 12.8263 13.0768 13.0769 13.1694 13.1721 13.4023 13.4051 k = 0.0053 0.0092-0.0000 ( 2795 PWs) bands (ev): -57.5144 -57.5144 -30.3450 -30.3450 -21.6721 -21.6721 -21.5333 -21.5333 -4.7223 -4.7223 -4.5537 -4.5537 -4.0858 -4.0858 -3.7322 -3.7322 -3.5869 -3.5869 -3.5453 -3.5453 -2.9181 -2.9181 2.2069 2.2069 5.8922 5.8922 6.4622 6.4622 7.8983 7.8985 8.0204 8.0206 8.7860 8.7861 8.9145 8.9147 11.3079 11.3079 12.8273 12.8273 13.0796 13.0797 13.1686 13.1690 13.4040 13.4043 k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -57.5145 -57.5145 -30.3450 -30.3450 -21.6721 -21.6721 -21.5331 -21.5331 -4.7226 -4.7226 -4.5537 -4.5537 -4.0863 -4.0863 -3.7323 -3.7323 -3.5869 -3.5869 -3.5457 -3.5457 -2.9186 -2.9186 2.2054 2.2054 5.8907 5.8907 6.4624 6.4624 7.9002 7.9002 8.0222 8.0222 8.7881 8.7881 8.9169 8.9169 11.3102 11.3102 12.8276 12.8276 13.0806 13.0806 13.1680 13.1680 13.4044 13.4044 k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -57.5145 -57.5145 -30.3450 -30.3450 -21.6721 -21.6721 -21.5331 -21.5331 -4.7226 -4.7226 -4.5537 -4.5537 -4.0863 -4.0863 -3.7323 -3.7323 -3.5869 -3.5869 -3.5457 -3.5457 -2.9186 -2.9186 2.2054 2.2054 5.8907 5.8907 6.4624 6.4624 7.9002 7.9002 8.0222 8.0222 8.7881 8.7881 8.9169 8.9169 11.3102 11.3102 12.8276 12.8276 13.0806 13.0806 13.1680 13.1680 13.4044 13.4044 k = 0.0000 0.0000 0.0103 ( 2795 PWs) bands (ev): -57.5145 -57.5145 -30.3450 -30.3450 -21.6721 -21.6721 -21.5331 -21.5331 -4.7220 -4.7220 -4.5537 -4.5537 -4.0862 -4.0862 -3.7323 -3.7323 -3.5869 -3.5869 -3.5477 -3.5477 -2.9173 -2.9173 2.2086 2.2086 5.8452 5.8452 6.5097 6.5097 7.9002 7.9004 8.0224 8.0224 8.7880 8.7880 8.9165 8.9171 11.3051 11.3051 12.8257 12.8303 13.0810 13.0810 13.1678 13.1678 13.4019 13.4067 k = 0.0000 0.0000 0.0205 ( 2789 PWs) bands (ev): -57.5144 -57.5144 -30.3449 -30.3449 -21.6720 -21.6720 -21.5331 -21.5331 -4.7205 -4.7205 -4.5537 -4.5537 -4.0858 -4.0858 -3.7323 -3.7323 -3.5869 -3.5869 -3.5536 -3.5536 -2.9138 -2.9138 2.2184 2.2184 5.7370 5.7370 6.6231 6.6231 7.9002 7.9008 8.0227 8.0227 8.7876 8.7876 8.9158 8.9169 11.2898 11.2898 12.8245 12.8337 13.0820 13.0820 13.1670 13.1670 13.3990 13.4085 k = 0.0000 0.0000 0.0308 ( 2789 PWs) bands (ev): -57.5144 -57.5144 -30.3449 -30.3449 -21.6720 -21.6720 -21.5331 -21.5331 -4.7180 -4.7180 -4.5537 -4.5537 -4.0853 -4.0853 -3.7323 -3.7323 -3.5869 -3.5869 -3.5632 -3.5632 -2.9081 -2.9081 2.2346 2.2346 5.6021 5.6021 6.7666 6.7666 7.9005 7.9012 8.0233 8.0233 8.7870 8.7870 8.9149 8.9165 11.2643 11.2643 12.8242 12.8377 13.0837 13.0837 13.1656 13.1656 13.3958 13.4099 k = 0.0000 0.0000 0.0410 ( 2788 PWs) bands (ev): -57.5144 -57.5144 -30.3449 -30.3449 -21.6720 -21.6720 -21.5331 -21.5331 -4.7145 -4.7145 -4.5537 -4.5537 -4.0845 -4.0845 -3.7323 -3.7323 -3.5869 -3.5869 -3.5761 -3.5761 -2.9006 -2.9006 2.2572 2.2572 5.4570 5.4570 6.9238 6.9238 7.9008 7.9018 8.0241 8.0241 8.7861 8.7861 8.9137 8.9158 11.2285 11.2285 12.8246 12.8421 13.0859 13.0859 13.1638 13.1638 13.3925 13.4107 k = 0.0000 0.0000 0.0513 ( 2788 PWs) bands (ev): -57.5144 -57.5144 -30.3449 -30.3449 -21.6720 -21.6720 -21.5331 -21.5331 -4.7101 -4.7101 -4.5538 -4.5537 -4.0835 -4.0835 -3.7323 -3.7323 -3.5918 -3.5918 -3.5869 -3.5869 -2.8916 -2.8916 2.2862 2.2862 5.3081 5.3081 7.0879 7.0879 7.9013 7.9024 8.0251 8.0251 8.7850 8.7850 8.9123 8.9148 11.1823 11.1823 12.8259 12.8470 13.0887 13.0887 13.1616 13.1616 13.3892 13.4111 k = 0.0000 0.0000 0.0615 ( 2788 PWs) bands (ev): -57.5144 -57.5144 -30.3449 -30.3449 -21.6720 -21.6720 -21.5331 -21.5331 -4.7049 -4.7049 -4.5538 -4.5538 -4.0822 -4.0822 -3.7323 -3.7323 -3.6098 -3.6098 -3.5869 -3.5869 -2.8816 -2.8816 2.3213 2.3213 5.1585 5.1585 7.2560 7.2560 7.9019 7.9032 8.0265 8.0265 8.7838 8.7838 8.9108 8.9137 11.1260 11.1260 12.8279 12.8522 13.0918 13.0918 13.1591 13.1591 13.3858 13.4110 k = 0.0000 0.0000 0.0718 ( 2806 PWs) bands (ev): -57.5145 -57.5145 -30.3450 -30.3450 -21.6721 -21.6721 -21.5332 -21.5332 -4.6991 -4.6991 -4.5538 -4.5538 -4.0807 -4.0807 -3.7323 -3.7323 -3.6296 -3.6296 -3.5869 -3.5869 -2.8709 -2.8709 2.3624 2.3624 5.0098 5.0098 7.4263 7.4263 7.9025 7.9040 8.0284 8.0284 8.7824 8.7824 8.9091 8.9123 11.0593 11.0593 12.8305 12.8574 13.0951 13.0951 13.1563 13.1563 13.3824 13.4104 k = 0.0000 0.0000 0.0820 ( 2782 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6719 -21.6719 -21.5331 -21.5331 -4.6926 -4.6926 -4.5538 -4.5538 -4.0789 -4.0789 -3.7323 -3.7323 -3.6506 -3.6506 -3.5868 -3.5868 -2.8600 -2.8600 2.4095 2.4095 4.8628 4.8628 7.5972 7.5972 7.9033 7.9048 8.0312 8.0312 8.7810 8.7810 8.9074 8.9107 10.9828 10.9828 12.8339 12.8628 13.0984 13.0984 13.1537 13.1537 13.3793 13.4093 k = 0.0000 0.0000 0.0923 ( 2782 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6719 -21.6719 -21.5331 -21.5331 -4.6858 -4.6858 -4.5538 -4.5538 -4.0768 -4.0768 -3.7323 -3.7323 -3.6724 -3.6724 -3.5869 -3.5868 -2.8491 -2.8491 2.4621 2.4621 4.7184 4.7184 7.7665 7.7665 7.9041 7.9057 8.0365 8.0365 8.7796 8.7796 8.9057 8.9091 10.8965 10.8965 12.8378 12.8679 13.1015 13.1015 13.1512 13.1512 13.3765 13.4076 k = 0.0000 0.0000 0.1026 ( 2782 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6719 -21.6719 -21.5331 -21.5331 -4.6787 -4.6787 -4.5538 -4.5538 -4.0744 -4.0744 -3.7323 -3.7323 -3.6944 -3.6944 -3.5869 -3.5869 -2.8385 -2.8385 2.5201 2.5201 4.5769 4.5769 7.9049 7.9065 7.9235 7.9235 8.0541 8.0541 8.7783 8.7783 8.9039 8.9074 10.8009 10.8009 12.8423 12.8727 13.1040 13.1040 13.1492 13.1492 13.3740 13.4055 k = 0.0000 0.0000 0.1128 ( 2782 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6719 -21.6719 -21.5331 -21.5331 -4.6715 -4.6715 -4.5538 -4.5538 -4.0718 -4.0718 -3.7323 -3.7323 -3.7161 -3.7161 -3.5869 -3.5869 -2.8285 -2.8285 2.5830 2.5830 4.4391 4.4391 7.9058 7.9073 8.0038 8.0038 8.1478 8.1478 8.7772 8.7772 8.9023 8.9056 10.6966 10.6966 12.8470 12.8770 13.1056 13.1056 13.1480 13.1480 13.3719 13.4030 k = 0.0000 0.0000 0.1231 ( 2776 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6718 -21.6718 -21.5331 -21.5331 -4.6644 -4.6644 -4.5538 -4.5538 -4.0689 -4.0689 -3.7371 -3.7371 -3.7323 -3.7323 -3.5869 -3.5869 -2.8193 -2.8193 2.6503 2.6503 4.3056 4.3056 7.9066 7.9081 8.0181 8.0181 8.3059 8.3059 8.7768 8.7768 8.9007 8.9039 10.5844 10.5844 12.8521 12.8808 13.1063 13.1063 13.1478 13.1478 13.3704 13.4001 k = 0.0000 0.0000 0.1333 ( 2776 PWs) bands (ev): -57.5144 -57.5144 -30.3448 -30.3448 -21.6718 -21.6718 -21.5331 -21.5331 -4.6577 -4.6577 -4.5538 -4.5538 -4.0659 -4.0659 -3.7568 -3.7568 -3.7323 -3.7323 -3.5869 -3.5869 -2.8110 -2.8110 2.7213 2.7213 4.1771 4.1771 7.9074 7.9088 8.0227 8.0227 8.4704 8.4704 8.7778 8.7778 8.8994 8.9022 10.4651 10.4651 12.8572 12.8838 13.1059 13.1059 13.1485 13.1485 13.3694 13.3970 k = 0.0000 0.0000 0.1436 ( 2764 PWs) bands (ev): -57.5144 -57.5144 -30.3447 -30.3447 -21.6717 -21.6717 -21.5330 -21.5330 -4.6516 -4.6516 -4.5538 -4.5538 -4.0628 -4.0628 -3.7748 -3.7748 -3.7323 -3.7323 -3.5868 -3.5868 -2.8038 -2.8038 2.7949 2.7949 4.0548 4.0548 7.9082 7.9094 8.0252 8.0252 8.6283 8.6283 8.7846 8.7846 8.8982 8.9007 10.3404 10.3404 12.8624 12.8860 13.1049 13.1049 13.1499 13.1499 13.3691 13.3936 k = 0.0000 0.0000 0.1538 ( 2752 PWs) bands (ev): -57.5144 -57.5144 -30.3446 -30.3446 -21.6716 -21.6716 -21.5329 -21.5329 -4.6462 -4.6462 -4.5537 -4.5537 -4.0598 -4.0598 -3.7905 -3.7905 -3.7323 -3.7323 -3.5868 -3.5868 -2.7978 -2.7978 2.8694 2.8694 3.9405 3.9405 7.9089 7.9099 8.0268 8.0268 8.7363 8.7363 8.8376 8.8376 8.8972 8.8993 10.2121 10.2121 12.8674 12.8873 13.1035 13.1035 13.1515 13.1515 13.3695 13.3901 k = 0.0000 0.0000 0.1641 ( 2758 PWs) bands (ev): -57.5144 -57.5144 -30.3446 -30.3446 -21.6717 -21.6717 -21.5330 -21.5330 -4.6418 -4.6418 -4.5537 -4.5537 -4.0571 -4.0571 -3.8035 -3.8035 -3.7323 -3.7323 -3.5868 -3.5868 -2.7930 -2.7930 2.9416 2.9416 3.8372 3.8372 7.9095 7.9102 8.0279 8.0279 8.7559 8.7559 8.8965 8.8981 8.9717 8.9717 10.0837 10.0837 12.8722 12.8877 13.1020 13.1020 13.1532 13.1532 13.3704 13.3865 k = 0.0000 0.0000 0.1744 ( 2752 PWs) bands (ev): -57.5144 -57.5144 -30.3446 -30.3446 -21.6717 -21.6717 -21.5329 -21.5329 -4.6385 -4.6385 -4.5537 -4.5537 -4.0549 -4.0549 -3.8132 -3.8132 -3.7322 -3.7322 -3.5868 -3.5868 -2.7896 -2.7896 3.0061 3.0061 3.7505 3.7505 7.9099 7.9105 8.0287 8.0287 8.7593 8.7593 8.8961 8.8972 9.1077 9.1077 9.9621 9.9621 12.8765 12.8872 13.1008 13.1008 13.1545 13.1545 13.3720 13.3831 k = 0.0000 0.0000 0.1846 ( 2758 PWs) bands (ev): -57.5144 -57.5144 -30.3446 -30.3446 -21.6717 -21.6717 -21.5330 -21.5330 -4.6365 -4.6365 -4.5537 -4.5537 -4.0534 -4.0534 -3.8193 -3.8193 -3.7323 -3.7323 -3.5868 -3.5868 -2.7875 -2.7875 3.0536 3.0536 3.6897 3.6897 7.9103 7.9105 8.0291 8.0291 8.7603 8.7603 8.8959 8.8965 9.2159 9.2159 9.8637 9.8637 12.8803 12.8857 13.1000 13.1000 13.1554 13.1554 13.3741 13.3798 k = 0.0000 0.0000 0.1949 ( 2746 PWs) bands (ev): -57.5143 -57.5143 -30.3446 -30.3446 -21.6717 -21.6717 -21.5328 -21.5328 -4.6358 -4.6358 -4.5537 -4.5537 -4.0529 -4.0529 -3.8213 -3.8213 -3.7322 -3.7322 -3.5868 -3.5868 -2.7868 -2.7868 3.0717 3.0717 3.6672 3.6672 7.9105 7.9105 8.0292 8.0292 8.7605 8.7605 8.8961 8.8961 9.2606 9.2606 9.8223 9.8223 12.8834 12.8834 13.0998 13.0998 13.1557 13.1557 13.3768 13.3768 k = 0.0000 0.0000 0.1949 ( 2746 PWs) bands (ev): -57.5143 -57.5143 -30.3446 -30.3446 -21.6717 -21.6717 -21.5328 -21.5328 -4.6358 -4.6358 -4.5537 -4.5537 -4.0529 -4.0529 -3.8213 -3.8213 -3.7322 -3.7322 -3.5868 -3.5868 -2.7868 -2.7868 3.0717 3.0717 3.6672 3.6672 7.9105 7.9105 8.0292 8.0292 8.7605 8.7605 8.8961 8.8961 9.2606 9.2606 9.8223 9.8223 12.8834 12.8834 13.0998 13.0998 13.1557 13.1557 13.3768 13.3768 k = 0.0091 0.0052 0.1949 ( 2756 PWs) bands (ev): -57.5144 -57.5144 -30.3447 -30.3447 -21.6717 -21.6717 -21.5331 -21.5331 -4.6357 -4.6357 -4.5537 -4.5537 -4.0519 -4.0519 -3.8213 -3.8213 -3.7322 -3.7322 -3.5868 -3.5868 -2.7863 -2.7863 3.0728 3.0728 3.6686 3.6686 7.9087 7.9087 8.0275 8.0275 8.7570 8.7570 8.8920 8.8920 9.2628 9.2628 9.8231 9.8231 12.8793 12.8793 13.1004 13.1004 13.1515 13.1515 13.3769 13.3769 k = 0.0182 0.0105 0.1949 ( 2756 PWs) bands (ev): -57.5143 -57.5143 -30.3448 -30.3448 -21.6718 -21.6718 -21.5337 -21.5337 -4.6355 -4.6355 -4.5535 -4.5535 -4.0487 -4.0487 -3.8211 -3.8211 -3.7319 -3.7319 -3.5870 -3.5870 -2.7848 -2.7848 3.0762 3.0762 3.6727 3.6727 7.9028 7.9028 8.0231 8.0231 8.7464 8.7464 8.8806 8.8806 9.2690 9.2690 9.8254 9.8254 12.8670 12.8670 13.1018 13.1018 13.1407 13.1407 13.3778 13.3778 k = 0.0273 0.0157 0.1949 ( 2756 PWs) bands (ev): -57.5143 -57.5143 -30.3450 -30.3450 -21.6719 -21.6719 -21.5347 -21.5347 -4.6351 -4.6351 -4.5532 -4.5532 -4.0435 -4.0435 -3.8209 -3.8209 -3.7315 -3.7315 -3.5872 -3.5872 -2.7823 -2.7823 3.0819 3.0819 3.6795 3.6795 7.8910 7.8910 8.0178 8.0178 8.7285 8.7285 8.8631 8.8631 9.2779 9.2779 9.8294 9.8294 12.8458 12.8458 13.1008 13.1008 13.1291 13.1291 13.3803 13.3803 k = 0.0364 0.0210 0.1949 ( 2760 PWs) bands (ev): -57.5142 -57.5142 -30.3454 -30.3454 -21.6721 -21.6721 -21.5360 -21.5360 -4.6346 -4.6346 -4.5528 -4.5528 -4.0362 -4.0362 -3.8206 -3.8206 -3.7309 -3.7309 -3.5876 -3.5876 -2.7789 -2.7789 3.0899 3.0899 3.6891 3.6891 7.8714 7.8714 8.0139 8.0139 8.7031 8.7031 8.8414 8.8414 9.2883 9.2883 9.8348 9.8348 12.8152 12.8152 13.0909 13.0909 13.1265 13.1265 13.3853 13.3853 k = 0.0455 0.0262 0.1949 ( 2764 PWs) bands (ev): -57.5141 -57.5141 -30.3458 -30.3458 -21.6723 -21.6723 -21.5377 -21.5377 -4.6340 -4.6340 -4.5524 -4.5524 -4.0269 -4.0269 -3.8202 -3.8202 -3.7301 -3.7301 -3.5881 -3.5881 -2.7744 -2.7744 3.1002 3.1002 3.7013 3.7013 7.8425 7.8425 8.0130 8.0130 8.6703 8.6703 8.8166 8.8166 9.2989 9.2989 9.8417 9.8417 12.7754 12.7754 13.0753 13.0753 13.1317 13.1317 13.3933 13.3933 k = 0.0545 0.0315 0.1949 ( 2760 PWs) bands (ev): -57.5140 -57.5140 -30.3462 -30.3462 -21.6726 -21.6726 -21.5397 -21.5397 -4.6333 -4.6333 -4.5517 -4.5517 -4.0155 -4.0155 -3.8196 -3.8196 -3.7291 -3.7291 -3.5886 -3.5886 -2.7690 -2.7690 3.1127 3.1127 3.7162 3.7162 7.8043 7.8043 8.0156 8.0156 8.6306 8.6306 8.7898 8.7898 9.3086 9.3086 9.8499 9.8499 12.7273 12.7273 13.0597 13.0597 13.1400 13.1400 13.4049 13.4049 k = 0.0636 0.0367 0.1949 ( 2756 PWs) bands (ev): -57.5138 -57.5138 -30.3468 -30.3468 -21.6729 -21.6729 -21.5421 -21.5421 -4.6324 -4.6324 -4.5510 -4.5510 -4.0023 -4.0023 -3.8189 -3.8189 -3.7280 -3.7280 -3.5892 -3.5892 -2.7627 -2.7627 3.1275 3.1275 3.7338 3.7338 7.7577 7.7577 8.0213 8.0213 8.5846 8.5846 8.7611 8.7611 9.3167 9.3167 9.8594 9.8594 12.6727 12.6727 13.0457 13.0457 13.1499 13.1499 13.4204 13.4204 k = 0.0727 0.0420 0.1949 ( 2760 PWs) bands (ev): -57.5137 -57.5137 -30.3474 -30.3474 -21.6733 -21.6733 -21.5448 -21.5448 -4.6314 -4.6314 -4.5502 -4.5502 -3.9871 -3.9871 -3.8180 -3.8180 -3.7267 -3.7267 -3.5898 -3.5898 -2.7554 -2.7554 3.1446 3.1446 3.7538 3.7538 7.7035 7.7035 8.0294 8.0294 8.5333 8.5333 8.7306 8.7306 9.3226 9.3226 9.8700 9.8700 12.6130 12.6130 13.0333 13.0333 13.1608 13.1608 13.4400 13.4400 k = 0.0818 0.0472 0.1949 ( 2756 PWs) bands (ev): -57.5135 -57.5135 -30.3481 -30.3481 -21.6737 -21.6737 -21.5478 -21.5478 -4.6303 -4.6303 -4.5493 -4.5493 -3.9702 -3.9702 -3.8168 -3.8168 -3.7253 -3.7253 -3.5905 -3.5905 -2.7471 -2.7471 3.1639 3.1639 3.7764 3.7764 7.6427 7.6427 8.0397 8.0397 8.4774 8.4774 8.6983 8.6983 9.3261 9.3261 9.8815 9.8815 12.5499 12.5499 13.0224 13.0224 13.1729 13.1729 13.4638 13.4638 k = 0.0909 0.0525 0.1949 ( 2756 PWs) bands (ev): -57.5133 -57.5133 -30.3489 -30.3489 -21.6743 -21.6743 -21.5511 -21.5511 -4.6291 -4.6291 -4.5484 -4.5484 -3.9516 -3.9516 -3.8153 -3.8153 -3.7237 -3.7237 -3.5913 -3.5913 -2.7379 -2.7379 3.1856 3.1856 3.8015 3.8015 7.5761 7.5761 8.0516 8.0516 8.4175 8.4175 8.6642 8.6642 9.3270 9.3270 9.8938 9.8938 12.4847 12.4847 13.0127 13.0127 13.1861 13.1861 13.4915 13.4915 k = 0.1000 0.0577 0.1949 ( 2764 PWs) bands (ev): -57.5131 -57.5131 -30.3499 -30.3499 -21.6749 -21.6749 -21.5547 -21.5547 -4.6278 -4.6278 -4.5473 -4.5473 -3.9317 -3.9317 -3.8133 -3.8133 -3.7220 -3.7220 -3.5920 -3.5920 -2.7279 -2.7279 3.2095 3.2095 3.8289 3.8289 7.5044 7.5044 8.0648 8.0648 8.3543 8.3543 8.6283 8.6283 9.3251 9.3251 9.9065 9.9065 12.4185 12.4185 13.0041 13.0041 13.2008 13.2008 13.5228 13.5228 k = 0.1091 0.0630 0.1949 ( 2768 PWs) bands (ev): -57.5129 -57.5129 -30.3508 -30.3508 -21.6757 -21.6757 -21.5586 -21.5586 -4.6264 -4.6264 -4.5462 -4.5462 -3.9108 -3.9108 -3.8104 -3.8104 -3.7202 -3.7202 -3.5927 -3.5927 -2.7169 -2.7169 3.2356 3.2356 3.8586 3.8586 7.4282 7.4282 8.0789 8.0789 8.2885 8.2885 8.5908 8.5908 9.3206 9.3206 9.9194 9.9194 12.3523 12.3523 12.9965 12.9965 13.2172 13.2172 13.5574 13.5574 k = 0.1182 0.0682 0.1949 ( 2772 PWs) bands (ev): -57.5127 -57.5127 -30.3519 -30.3519 -21.6765 -21.6765 -21.5626 -21.5626 -4.6250 -4.6250 -4.5450 -4.5450 -3.8896 -3.8896 -3.8058 -3.8058 -3.7182 -3.7182 -3.5934 -3.5934 -2.7051 -2.7051 3.2641 3.2641 3.8905 3.8905 7.3482 7.3482 8.0927 8.0927 8.2213 8.2213 8.5518 8.5518 9.3136 9.3136 9.9322 9.9322 12.2872 12.2872 12.9900 12.9900 13.2356 13.2356 13.5947 13.5947 k = 0.1273 0.0735 0.1949 ( 2768 PWs) bands (ev): -57.5124 -57.5124 -30.3529 -30.3529 -21.6774 -21.6774 -21.5668 -21.5668 -4.6235 -4.6235 -4.5438 -4.5438 -3.8698 -3.8698 -3.7983 -3.7983 -3.7161 -3.7161 -3.5939 -3.5939 -2.6924 -2.6924 3.2948 3.2948 3.9245 3.9245 7.2649 7.2649 8.0990 8.0990 8.1600 8.1600 8.5116 8.5116 9.3042 9.3042 9.9445 9.9445 12.2239 12.2239 12.9845 12.9845 13.2562 13.2562 13.6342 13.6342 k = 0.1364 0.0787 0.1949 ( 2772 PWs) bands (ev): -57.5121 -57.5121 -30.3541 -30.3541 -21.6785 -21.6785 -21.5712 -21.5712 -4.6220 -4.6220 -4.5425 -4.5425 -3.8534 -3.8534 -3.7858 -3.7858 -3.7138 -3.7138 -3.5942 -3.5942 -2.6790 -2.6790 3.3277 3.3277 3.9605 3.9605 7.1788 7.1788 8.0586 8.0586 8.1440 8.1440 8.4704 8.4704 9.2926 9.2926 9.9559 9.9559 12.1635 12.1635 12.9802 12.9802 13.2792 13.2792 13.6755 13.6755 k = 0.1455 0.0840 0.1949 ( 2772 PWs) bands (ev): -57.5119 -57.5119 -30.3553 -30.3553 -21.6798 -21.6798 -21.5757 -21.5757 -4.6204 -4.6204 -4.5411 -4.5411 -3.8421 -3.8421 -3.7671 -3.7671 -3.7113 -3.7113 -3.5942 -3.5942 -2.6647 -2.6647 3.3629 3.3629 3.9984 3.9984 7.0905 7.0905 7.9875 7.9875 8.1571 8.1571 8.4284 8.4284 9.2792 9.2792 9.9658 9.9658 12.1067 12.1067 12.9771 12.9771 13.3045 13.3045 13.7182 13.7182 k = 0.1545 0.0892 0.1949 ( 2772 PWs) bands (ev): -57.5115 -57.5115 -30.3565 -30.3565 -21.6812 -21.6812 -21.5802 -21.5802 -4.6188 -4.6188 -4.5397 -4.5397 -3.8349 -3.8349 -3.7434 -3.7434 -3.7083 -3.7083 -3.5937 -3.5937 -2.6497 -2.6497 3.4003 3.4003 4.0379 4.0379 7.0002 7.0002 7.9110 7.9110 8.1742 8.1742 8.3862 8.3862 9.2641 9.2641 9.9739 9.9739 12.0545 12.0545 12.9754 12.9754 13.3321 13.3321 13.7617 13.7617 k = 0.1636 0.0945 0.1949 ( 2768 PWs) bands (ev): -57.5112 -57.5112 -30.3578 -30.3578 -21.6828 -21.6828 -21.5847 -21.5847 -4.6172 -4.6172 -4.5383 -4.5383 -3.8304 -3.8304 -3.7197 -3.7197 -3.7019 -3.7019 -3.5922 -3.5922 -2.6340 -2.6340 3.4399 3.4399 4.0791 4.0791 6.9085 6.9085 7.8320 7.8320 8.1914 8.1914 8.3445 8.3445 9.2476 9.2476 9.9796 9.9796 12.0076 12.0076 12.9752 12.9752 13.3619 13.3619 13.8057 13.8057 k = 0.1727 0.0997 0.1949 ( 2772 PWs) bands (ev): -57.5109 -57.5109 -30.3592 -30.3592 -21.6846 -21.6846 -21.5893 -21.5893 -4.6156 -4.6156 -4.5369 -4.5369 -3.8272 -3.8272 -3.7090 -3.7090 -3.6814 -3.6814 -3.5889 -3.5889 -2.6177 -2.6177 3.4816 3.4816 4.1217 4.1217 6.8158 6.8158 7.7513 7.7513 8.2060 8.2060 8.3059 8.3059 9.2301 9.2301 9.9825 9.9825 11.9669 11.9669 12.9766 12.9766 13.3934 13.3934 13.8497 13.8497 k = 0.1818 0.1050 0.1949 ( 2772 PWs) bands (ev): -57.5106 -57.5106 -30.3606 -30.3606 -21.6867 -21.6867 -21.5937 -21.5937 -4.6140 -4.6140 -4.5355 -4.5355 -3.8248 -3.8248 -3.7055 -3.7055 -3.6554 -3.6554 -3.5815 -3.5815 -2.6007 -2.6007 3.5255 3.5255 4.1655 4.1655 6.7224 6.7224 7.6695 7.6695 8.2084 8.2084 8.2796 8.2796 9.2118 9.2118 9.9821 9.9821 11.9331 11.9331 12.9799 12.9799 13.4264 13.4264 13.8934 13.8934 k = 0.1909 0.1102 0.1949 ( 2762 PWs) bands (ev): -57.5102 -57.5102 -30.3619 -30.3619 -21.6890 -21.6890 -21.5980 -21.5980 -4.6124 -4.6124 -4.5340 -4.5340 -3.8228 -3.8228 -3.7030 -3.7030 -3.6346 -3.6346 -3.5660 -3.5660 -2.5831 -2.5831 3.5715 3.5715 4.2103 4.2103 6.6286 6.6286 7.5867 7.5867 8.1848 8.1848 8.2794 8.2794 9.1929 9.1929 9.9781 9.9781 11.9068 11.9068 12.9851 12.9851 13.4603 13.4603 13.9365 13.9365 k = 0.2000 0.1155 0.1949 ( 2762 PWs) bands (ev): -57.5098 -57.5098 -30.3634 -30.3634 -21.6916 -21.6916 -21.6022 -21.6022 -4.6108 -4.6108 -4.5325 -4.5325 -3.8210 -3.8210 -3.7009 -3.7009 -3.6224 -3.6224 -3.5400 -3.5400 -2.5649 -2.5649 3.6196 3.6196 4.2560 4.2560 6.5348 6.5348 7.5032 7.5032 8.1467 8.1467 8.2940 8.2940 9.1737 9.1737 9.9703 9.9703 11.8886 11.8886 12.9924 12.9924 13.4945 13.4945 13.9786 13.9786 k = 0.2091 0.1207 0.1949 ( 2760 PWs) bands (ev): -57.5095 -57.5095 -30.3649 -30.3649 -21.6946 -21.6946 -21.6062 -21.6062 -4.6093 -4.6093 -4.5311 -4.5311 -3.8194 -3.8194 -3.6991 -3.6991 -3.6160 -3.6160 -3.5065 -3.5065 -2.5463 -2.5463 3.6697 3.6697 4.3023 4.3023 6.4414 6.4414 7.4194 7.4194 8.1047 8.1047 8.3126 8.3126 9.1545 9.1545 9.9586 9.9586 11.8787 11.8787 13.0019 13.0019 13.5280 13.5280 14.0193 14.0193 k = 0.2182 0.1260 0.1949 ( 2752 PWs) bands (ev): -57.5091 -57.5091 -30.3663 -30.3663 -21.6979 -21.6979 -21.6099 -21.6099 -4.6079 -4.6079 -4.5297 -4.5297 -3.8178 -3.8178 -3.6975 -3.6975 -3.6122 -3.6122 -3.4689 -3.4689 -2.5272 -2.5272 3.7217 3.7217 4.3488 4.3488 6.3486 6.3486 7.3354 7.3354 8.0616 8.0616 8.3325 8.3325 9.1354 9.1354 9.9430 9.9430 11.8774 11.8774 13.0138 13.0138 13.5597 13.5597 14.0582 14.0582 k = 0.2273 0.1312 0.1949 ( 2744 PWs) bands (ev): -57.5087 -57.5087 -30.3678 -30.3678 -21.7015 -21.7015 -21.6133 -21.6133 -4.6064 -4.6064 -4.5283 -4.5283 -3.8163 -3.8163 -3.6961 -3.6961 -3.6094 -3.6094 -3.4288 -3.4288 -2.5077 -2.5077 3.7757 3.7757 4.3954 4.3954 6.2569 6.2569 7.2516 7.2516 8.0184 8.0184 8.3527 8.3527 9.1167 9.1167 9.9239 9.9239 11.8846 11.8846 13.0280 13.0280 13.5879 13.5879 14.0950 14.0950 k = 0.2364 0.1365 0.1949 ( 2750 PWs) bands (ev): -57.5084 -57.5084 -30.3694 -30.3694 -21.7055 -21.7055 -21.6165 -21.6165 -4.6051 -4.6051 -4.5270 -4.5270 -3.8149 -3.8149 -3.6951 -3.6951 -3.6069 -3.6069 -3.3872 -3.3872 -2.4879 -2.4879 3.8314 3.8314 4.4417 4.4417 6.1664 6.1664 7.1682 7.1682 7.9754 7.9754 8.3729 8.3729 9.0984 9.0984 9.9016 9.9016 11.9000 11.9000 13.0447 13.0447 13.6098 13.6098 14.1290 14.1290 k = 0.2455 0.1417 0.1949 ( 2746 PWs) bands (ev): -57.5080 -57.5080 -30.3709 -30.3709 -21.7097 -21.7097 -21.6194 -21.6194 -4.6038 -4.6038 -4.5256 -4.5256 -3.8134 -3.8134 -3.6943 -3.6943 -3.6045 -3.6045 -3.3445 -3.3445 -2.4678 -2.4678 3.8889 3.8889 4.4872 4.4872 6.0777 6.0777 7.0855 7.0855 7.9329 7.9329 8.3927 8.3927 9.0808 9.0808 9.8766 9.8766 11.9235 11.9235 13.0639 13.0639 13.6213 13.6213 14.1594 14.1594 k = 0.2545 0.1470 0.1949 ( 2748 PWs) bands (ev): -57.5076 -57.5076 -30.3724 -30.3724 -21.7143 -21.7143 -21.6220 -21.6220 -4.6026 -4.6026 -4.5244 -4.5244 -3.8119 -3.8119 -3.6939 -3.6939 -3.6020 -3.6020 -3.3009 -3.3009 -2.4474 -2.4474 3.9479 3.9479 4.5317 4.5317 5.9912 5.9912 7.0037 7.0037 7.8911 7.8911 8.4122 8.4122 9.0639 9.0639 9.8495 9.8495 11.9545 11.9545 13.0855 13.0855 13.6158 13.6158 14.1847 14.1847 k = 0.2636 0.1522 0.1949 ( 2752 PWs) bands (ev): -57.5072 -57.5072 -30.3740 -30.3740 -21.7192 -21.7192 -21.6243 -21.6243 -4.6015 -4.6015 -4.5232 -4.5232 -3.8105 -3.8105 -3.6936 -3.6936 -3.5993 -3.5993 -3.2566 -3.2566 -2.4270 -2.4270 4.0085 4.0085 4.5745 4.5745 5.9073 5.9073 6.9231 6.9231 7.8501 7.8501 8.4310 8.4310 9.0479 9.0479 9.8210 9.8210 11.9926 11.9926 13.1094 13.1094 13.5845 13.5845 14.2024 14.2024 k = 0.2727 0.1575 0.1949 ( 2754 PWs) bands (ev): -57.5069 -57.5069 -30.3756 -30.3756 -21.7242 -21.7242 -21.6264 -21.6264 -4.6004 -4.6004 -4.5220 -4.5220 -3.8090 -3.8090 -3.6937 -3.6937 -3.5965 -3.5965 -3.2119 -3.2119 -2.4064 -2.4064 4.0703 4.0703 4.6150 4.6150 5.8265 5.8265 6.8439 6.8439 7.8099 7.8099 8.4492 8.4492 9.0329 9.0329 9.7917 9.7917 12.0372 12.0372 13.1352 13.1352 13.5187 13.5187 14.2102 14.2102 k = 0.2818 0.1627 0.1949 ( 2750 PWs) bands (ev): -57.5065 -57.5065 -30.3771 -30.3771 -21.7293 -21.7293 -21.6282 -21.6282 -4.5994 -4.5994 -4.5209 -4.5209 -3.8075 -3.8075 -3.6939 -3.6939 -3.5934 -3.5934 -3.1669 -3.1669 -2.3858 -2.3858 4.1334 4.1334 4.6525 4.6525 5.7497 5.7497 6.7666 6.7666 7.7708 7.7708 8.4667 8.4667 9.0190 9.0190 9.7622 9.7622 12.0878 12.0878 13.1615 13.1615 13.4177 13.4177 14.2109 14.2109 k = 0.2909 0.1680 0.1949 ( 2750 PWs) bands (ev): -57.5061 -57.5061 -30.3786 -30.3786 -21.7346 -21.7346 -21.6299 -21.6299 -4.5985 -4.5985 -4.5199 -4.5199 -3.8059 -3.8059 -3.6944 -3.6944 -3.5902 -3.5902 -3.1218 -3.1218 -2.3652 -2.3652 4.1974 4.1974 4.6861 4.6861 5.6777 5.6777 6.6912 6.6912 7.7328 7.7328 8.4834 8.4834 9.0063 9.0063 9.7331 9.7331 12.1438 12.1438 13.1782 13.1782 13.2979 13.2979 14.2133 14.2133 k = 0.3000 0.1732 0.1949 ( 2752 PWs) bands (ev): -57.5058 -57.5058 -30.3801 -30.3801 -21.7400 -21.7400 -21.6313 -21.6313 -4.5976 -4.5976 -4.5189 -4.5189 -3.8044 -3.8044 -3.6950 -3.6950 -3.5868 -3.5868 -3.0767 -3.0767 -2.3448 -2.3448 4.2621 4.2621 4.7148 4.7148 5.6114 5.6114 6.6182 6.6182 7.6960 7.6960 8.4992 8.4992 8.9947 8.9947 9.7050 9.7050 12.2045 12.2045 13.1000 13.1000 13.2549 13.2549 14.2223 14.2223 k = 0.3091 0.1785 0.1949 ( 2752 PWs) bands (ev): -57.5054 -57.5054 -30.3816 -30.3816 -21.7454 -21.7454 -21.6325 -21.6325 -4.5969 -4.5969 -4.5180 -4.5180 -3.8029 -3.8029 -3.6958 -3.6958 -3.5832 -3.5832 -3.0318 -3.0318 -2.3245 -2.3245 4.3273 4.3273 4.7371 4.7371 5.5522 5.5522 6.5477 6.5477 7.6604 7.6604 8.5142 8.5142 8.9844 8.9844 9.6783 9.6783 12.2693 12.2693 12.9428 12.9428 13.2817 13.2817 14.2373 14.2373 k = 0.3182 0.1837 0.1949 ( 2752 PWs) bands (ev): -57.5051 -57.5051 -30.3830 -30.3830 -21.7508 -21.7508 -21.6336 -21.6336 -4.5962 -4.5962 -4.5172 -4.5172 -3.8014 -3.8014 -3.6967 -3.6967 -3.5796 -3.5796 -2.9873 -2.9873 -2.3045 -2.3045 4.3928 4.3928 4.7518 4.7518 5.5014 5.5014 6.4802 6.4802 7.6261 7.6261 8.5283 8.5283 8.9754 8.9754 9.6534 9.6534 12.3370 12.3370 12.7734 12.7734 13.3177 13.3177 14.2560 14.2560 k = 0.3273 0.1890 0.1949 ( 2752 PWs) bands (ev): -57.5047 -57.5047 -30.3844 -30.3844 -21.7562 -21.7562 -21.6346 -21.6346 -4.5955 -4.5955 -4.5164 -4.5164 -3.7998 -3.7998 -3.6977 -3.6977 -3.5759 -3.5759 -2.9434 -2.9434 -2.2849 -2.2849 4.4580 4.4580 4.7576 4.7576 5.4603 5.4603 6.4158 6.4158 7.5931 7.5931 8.5415 8.5415 8.9677 8.9677 9.6306 9.6306 12.4029 12.4029 12.6053 12.6053 13.3571 13.3571 14.2764 14.2764 k = 0.3364 0.1942 0.1949 ( 2752 PWs) bands (ev): -57.5044 -57.5044 -30.3858 -30.3858 -21.7615 -21.7615 -21.6354 -21.6354 -4.5950 -4.5950 -4.5157 -4.5157 -3.7983 -3.7983 -3.6988 -3.6988 -3.5722 -3.5722 -2.9002 -2.9002 -2.2657 -2.2657 4.5227 4.5227 4.7536 4.7536 5.4297 5.4297 6.3550 6.3550 7.5616 7.5616 8.5538 8.5538 8.9614 8.9614 9.6102 9.6102 12.3920 12.3920 12.5168 12.5168 13.3986 13.3986 14.2968 14.2968 k = 0.3455 0.1994 0.1949 ( 2746 PWs) bands (ev): -57.5041 -57.5041 -30.3870 -30.3870 -21.7666 -21.7666 -21.6361 -21.6361 -4.5945 -4.5945 -4.5150 -4.5150 -3.7968 -3.7968 -3.6999 -3.6999 -3.5684 -3.5684 -2.8579 -2.8579 -2.2469 -2.2469 4.5863 4.5863 4.7399 4.7399 5.4096 5.4096 6.2981 6.2981 7.5316 7.5316 8.5653 8.5653 8.9565 8.9565 9.5924 9.5924 12.2348 12.2348 12.5786 12.5786 13.4416 13.4416 14.3163 14.3163 k = 0.3545 0.2047 0.1949 ( 2748 PWs) bands (ev): -57.5038 -57.5038 -30.3883 -30.3883 -21.7716 -21.7716 -21.6367 -21.6367 -4.5940 -4.5940 -4.5144 -4.5144 -3.7953 -3.7953 -3.7010 -3.7010 -3.5648 -3.5648 -2.8166 -2.8166 -2.2287 -2.2287 4.6482 4.6482 4.7175 4.7175 5.3992 5.3992 6.2454 6.2454 7.5030 7.5030 8.5759 8.5759 8.9531 8.9531 9.5772 9.5772 12.0663 12.0663 12.6567 12.6567 13.4857 13.4857 14.3342 14.3342 k = 0.3636 0.2099 0.1949 ( 2744 PWs) bands (ev): -57.5035 -57.5035 -30.3895 -30.3895 -21.7764 -21.7764 -21.6372 -21.6372 -4.5936 -4.5936 -4.5139 -4.5139 -3.7939 -3.7939 -3.7022 -3.7022 -3.5612 -3.5612 -2.7766 -2.7766 -2.2112 -2.2112 4.6857 4.6857 4.7104 4.7104 5.3968 5.3968 6.1972 6.1972 7.4760 7.4760 8.5857 8.5857 8.9511 8.9511 9.5646 9.5646 11.8997 11.8997 12.7385 12.7385 13.5305 13.5305 14.3501 14.3501 k = 0.3727 0.2152 0.1949 ( 2744 PWs) bands (ev): -57.5032 -57.5032 -30.3906 -30.3906 -21.7811 -21.7811 -21.6377 -21.6377 -4.5933 -4.5933 -4.5134 -4.5134 -3.7925 -3.7925 -3.7033 -3.7033 -3.5577 -3.5577 -2.7381 -2.7381 -2.1944 -2.1944 4.6521 4.6521 4.7667 4.7667 5.4005 5.4005 6.1540 6.1540 7.4506 7.4506 8.5948 8.5948 8.9507 8.9507 9.5547 9.5547 11.7371 11.7371 12.8222 12.8222 13.5754 13.5754 14.3640 14.3640 k = 0.3818 0.2204 0.1949 ( 2744 PWs) bands (ev): -57.5030 -57.5030 -30.3917 -30.3917 -21.7855 -21.7855 -21.6382 -21.6382 -4.5930 -4.5930 -4.5130 -4.5130 -3.7911 -3.7911 -3.7044 -3.7044 -3.5543 -3.5543 -2.7012 -2.7012 -2.1783 -2.1783 4.6144 4.6144 4.8207 4.8207 5.4084 5.4084 6.1160 6.1160 7.4268 7.4268 8.6030 8.6030 8.9517 8.9517 9.5473 9.5473 11.5796 11.5796 12.9070 12.9070 13.6202 13.6202 14.3758 14.3758 k = 0.3909 0.2257 0.1949 ( 2756 PWs) bands (ev): -57.5027 -57.5027 -30.3928 -30.3928 -21.7898 -21.7898 -21.6386 -21.6386 -4.5928 -4.5928 -4.5126 -4.5126 -3.7899 -3.7899 -3.7055 -3.7055 -3.5511 -3.5511 -2.6661 -2.6661 -2.1632 -2.1632 4.5752 4.5752 4.8708 4.8708 5.4190 5.4190 6.0835 6.0835 7.4047 7.4047 8.6106 8.6106 8.9542 8.9542 9.5421 9.5421 11.4279 11.4279 12.9922 12.9922 13.6641 13.6641 14.3859 14.3859 k = 0.4000 0.2309 0.1949 ( 2756 PWs) bands (ev): -57.5025 -57.5025 -30.3937 -30.3937 -21.7937 -21.7937 -21.6389 -21.6389 -4.5926 -4.5926 -4.5123 -4.5123 -3.7886 -3.7886 -3.7066 -3.7066 -3.5480 -3.5480 -2.6330 -2.6330 -2.1489 -2.1489 4.5359 4.5359 4.9164 4.9164 5.4312 5.4312 6.0567 6.0567 7.3843 7.3843 8.6175 8.6175 8.9582 8.9582 9.5391 9.5391 11.2829 11.2829 13.0774 13.0774 13.7069 13.7069 14.3943 14.3943 k = 0.4091 0.2362 0.1949 ( 2756 PWs) bands (ev): -57.5023 -57.5023 -30.3946 -30.3946 -21.7973 -21.7973 -21.6392 -21.6392 -4.5924 -4.5924 -4.5120 -4.5120 -3.7875 -3.7875 -3.7075 -3.7075 -3.5452 -3.5452 -2.6021 -2.6021 -2.1357 -2.1357 4.4977 4.4977 4.9569 4.9569 5.4441 5.4441 6.0358 6.0358 7.3655 7.3655 8.6238 8.6238 8.9636 8.9636 9.5379 9.5379 11.1453 11.1453 13.1617 13.1617 13.7479 13.7479 14.4012 14.4012 k = 0.4182 0.2414 0.1949 ( 2764 PWs) bands (ev): -57.5021 -57.5021 -30.3955 -30.3955 -21.8007 -21.8007 -21.6394 -21.6394 -4.5922 -4.5922 -4.5118 -4.5118 -3.7865 -3.7865 -3.7085 -3.7085 -3.5425 -3.5425 -2.5735 -2.5735 -2.1235 -2.1235 4.4613 4.4613 4.9919 4.9919 5.4570 5.4570 6.0205 6.0205 7.3485 7.3485 8.6294 8.6294 8.9704 8.9704 9.5383 9.5383 11.0159 11.0159 13.2445 13.2445 13.7864 13.7864 14.4069 14.4069 k = 0.4273 0.2467 0.1949 ( 2760 PWs) bands (ev): -57.5019 -57.5019 -30.3962 -30.3962 -21.8037 -21.8037 -21.6396 -21.6396 -4.5921 -4.5921 -4.5116 -4.5116 -3.7855 -3.7855 -3.7093 -3.7093 -3.5401 -3.5401 -2.5474 -2.5474 -2.1124 -2.1124 4.4274 4.4274 5.0214 5.0214 5.4695 5.4695 6.0105 6.0105 7.3332 7.3332 8.6344 8.6344 8.9784 8.9784 9.5398 9.5398 10.8956 10.8956 13.3251 13.3251 13.8221 13.8221 14.4115 14.4115 k = 0.4364 0.2519 0.1949 ( 2756 PWs) bands (ev): -57.5018 -57.5018 -30.3968 -30.3968 -21.8063 -21.8063 -21.6398 -21.6398 -4.5920 -4.5920 -4.5114 -4.5114 -3.7846 -3.7846 -3.7100 -3.7100 -3.5379 -3.5379 -2.5239 -2.5239 -2.1025 -2.1025 4.3965 4.3965 5.0455 5.0455 5.4811 5.4811 6.0052 6.0052 7.3197 7.3197 8.6389 8.6389 8.9873 8.9873 9.5423 9.5423 10.7854 10.7854 13.4023 13.4023 13.8542 13.8542 14.4151 14.4151 k = 0.4455 0.2572 0.1949 ( 2752 PWs) bands (ev): -57.5016 -57.5016 -30.3973 -30.3973 -21.8087 -21.8087 -21.6399 -21.6399 -4.5920 -4.5920 -4.5112 -4.5112 -3.7838 -3.7838 -3.7107 -3.7107 -3.5360 -3.5360 -2.5033 -2.5033 -2.0938 -2.0938 4.3690 4.3690 5.0645 5.0645 5.4917 5.4917 6.0038 6.0038 7.3080 7.3080 8.6427 8.6427 8.9969 8.9969 9.5452 9.5452 10.6862 10.6862 13.4752 13.4752 13.8822 13.8822 14.4178 14.4178 k = 0.4545 0.2624 0.1949 ( 2754 PWs) bands (ev): -57.5015 -57.5015 -30.3978 -30.3978 -21.8107 -21.8107 -21.6400 -21.6400 -4.5919 -4.5919 -4.5111 -4.5111 -3.7832 -3.7832 -3.7113 -3.7113 -3.5344 -3.5344 -2.4856 -2.4856 -2.0864 -2.0864 4.3453 4.3453 5.0790 5.0790 5.5009 5.5009 6.0052 6.0052 7.2980 7.2980 8.6460 8.6460 9.0067 9.0067 9.5483 9.5483 10.5993 10.5993 13.5425 13.5425 13.9056 13.9056 14.4196 14.4196 k = 0.4636 0.2677 0.1949 ( 2748 PWs) bands (ev): -57.5014 -57.5014 -30.3982 -30.3982 -21.8123 -21.8123 -21.6401 -21.6401 -4.5918 -4.5918 -4.5110 -4.5110 -3.7826 -3.7826 -3.7117 -3.7117 -3.5330 -3.5330 -2.4710 -2.4710 -2.0803 -2.0803 4.3255 4.3255 5.0896 5.0896 5.5086 5.5086 6.0083 6.0083 7.2899 7.2899 8.6487 8.6487 9.0161 9.0161 9.5514 9.5514 10.5257 10.5257 13.6024 13.6024 13.9240 13.9240 14.4207 14.4207 k = 0.4727 0.2729 0.1949 ( 2754 PWs) bands (ev): -57.5013 -57.5013 -30.3985 -30.3985 -21.8136 -21.8136 -21.6402 -21.6402 -4.5918 -4.5918 -4.5109 -4.5109 -3.7822 -3.7822 -3.7121 -3.7121 -3.5319 -3.5319 -2.4595 -2.4595 -2.0755 -2.0755 4.3099 4.3099 5.0971 5.0971 5.5146 5.5146 6.0120 6.0120 7.2835 7.2835 8.6508 8.6508 9.0244 9.0244 9.5540 9.5540 10.4668 10.4668 13.6531 13.6531 13.9372 13.9372 14.4210 14.4210 k = 0.4818 0.2782 0.1949 ( 2750 PWs) bands (ev): -57.5013 -57.5013 -30.3987 -30.3987 -21.8145 -21.8145 -21.6402 -21.6402 -4.5918 -4.5918 -4.5109 -4.5109 -3.7819 -3.7819 -3.7123 -3.7123 -3.5312 -3.5312 -2.4512 -2.4512 -2.0721 -2.0721 4.2987 4.2987 5.1020 5.1020 5.5189 5.5189 6.0155 6.0155 7.2790 7.2790 8.6523 8.6523 9.0310 9.0310 9.5561 9.5561 10.4237 10.4237 13.6922 13.6922 13.9457 13.9457 14.4210 14.4210 k = 0.4909 0.2834 0.1949 ( 2756 PWs) bands (ev): -57.5013 -57.5013 -30.3989 -30.3989 -21.8151 -21.8151 -21.6403 -21.6403 -4.5918 -4.5918 -4.5108 -4.5108 -3.7817 -3.7817 -3.7125 -3.7125 -3.5307 -3.5307 -2.4462 -2.4462 -2.0700 -2.0700 4.2920 4.2920 5.1047 5.1047 5.5216 5.5216 6.0179 6.0179 7.2763 7.2763 8.6531 8.6531 9.0353 9.0353 9.5573 9.5573 10.3974 10.3974 13.7172 13.7172 13.9501 13.9501 14.4208 14.4208 k = 0.5000 0.2887 0.1949 ( 2760 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8153 -21.8153 -21.6403 -21.6403 -4.5918 -4.5918 -4.5109 -4.5109 -3.7817 -3.7817 -3.7126 -3.7126 -3.5306 -3.5306 -2.4446 -2.4446 -2.0693 -2.0693 4.2897 4.2897 5.1056 5.1056 5.5224 5.5224 6.0187 6.0187 7.2754 7.2754 8.6534 8.6534 9.0368 9.0368 9.5578 9.5578 10.3886 10.3886 13.7258 13.7258 13.9514 13.9514 14.4207 14.4207 k = 0.5000 0.2887 0.1949 ( 2760 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8153 -21.8153 -21.6403 -21.6403 -4.5918 -4.5918 -4.5109 -4.5109 -3.7817 -3.7817 -3.7126 -3.7126 -3.5306 -3.5306 -2.4446 -2.4446 -2.0693 -2.0693 4.2897 4.2897 5.1056 5.1056 5.5224 5.5224 6.0187 6.0187 7.2754 7.2754 8.6534 8.6534 9.0368 9.0368 9.5578 9.5578 10.3886 10.3886 13.7258 13.7258 13.9514 13.9514 14.4207 14.4207 k = 0.4948 0.2977 0.1949 ( 2756 PWs) bands (ev): -57.5012 -57.5012 -30.3992 -30.3987 -21.8159 -21.8146 -21.6405 -21.6403 -4.5917 -4.5917 -4.5108 -4.5108 -3.7817 -3.7817 -3.7125 -3.7125 -3.5307 -3.5307 -2.4476 -2.4406 -2.0693 -2.0689 4.2893 4.2931 5.1056 5.1068 5.5194 5.5260 6.0169 6.0196 7.2715 7.2761 8.6261 8.6633 9.0388 9.0391 9.5445 9.5823 10.3864 10.3909 13.7147 13.7362 13.9255 13.9727 14.4127 14.4194 k = 0.4896 0.3067 0.1949 ( 2756 PWs) bands (ev): -57.5012 -57.5012 -30.3994 -30.3986 -21.8164 -21.8138 -21.6410 -21.6406 -4.5915 -4.5915 -4.5107 -4.5106 -3.7816 -3.7816 -3.7123 -3.7123 -3.5312 -3.5312 -2.4497 -2.4357 -2.0688 -2.0680 4.2919 4.2996 5.1066 5.1090 5.5170 5.5303 6.0142 6.0195 7.2647 7.2736 8.5833 8.6544 9.0450 9.0457 9.5436 9.6159 10.3842 10.3934 13.7020 13.7461 13.8955 13.9901 14.3942 14.4097 k = 0.4844 0.3157 0.1949 ( 2760 PWs) bands (ev): -57.5012 -57.5012 -30.3997 -30.3985 -21.8168 -21.8129 -21.6418 -21.6412 -4.5911 -4.5911 -4.5104 -4.5104 -3.7816 -3.7816 -3.7121 -3.7120 -3.5320 -3.5320 -2.4509 -2.4300 -2.0678 -2.0666 4.2976 4.3091 5.1087 5.1123 5.5152 5.5350 6.0107 6.0185 7.2549 7.2681 8.5277 8.6270 9.0556 9.0567 9.5548 9.6561 10.3822 10.3960 13.6866 13.7551 13.8626 14.0040 14.3651 14.3915 k = 0.4792 0.3248 0.1949 ( 2752 PWs) bands (ev): -57.5012 -57.5012 -30.4000 -30.3983 -21.8170 -21.8118 -21.6427 -21.6419 -4.5905 -4.5905 -4.5101 -4.5100 -3.7815 -3.7815 -3.7116 -3.7116 -3.5331 -3.5330 -2.4512 -2.4233 -2.0664 -2.0649 4.3063 4.3217 5.1118 5.1165 5.5140 5.5404 6.0063 6.0166 7.2426 7.2597 8.4617 8.5831 9.0703 9.0718 9.5766 9.7010 10.3804 10.3987 13.6678 13.7592 13.8317 14.0149 14.3267 14.3636 k = 0.4740 0.3338 0.1949 ( 2748 PWs) bands (ev): -57.5011 -57.5011 -30.4002 -30.3982 -21.8172 -21.8107 -21.6438 -21.6429 -4.5898 -4.5898 -4.5096 -4.5096 -3.7814 -3.7814 -3.7111 -3.7111 -3.5345 -3.5344 -2.4505 -2.4158 -2.0646 -2.0626 4.3181 4.3372 5.1159 5.1218 5.5134 5.5463 6.0011 6.0138 7.2280 7.2486 8.3871 8.5251 9.0891 9.0909 9.6068 9.7488 10.3787 10.4016 13.6450 13.7460 13.8158 14.0214 14.2826 14.3253 k = 0.4688 0.3428 0.1949 ( 2748 PWs) bands (ev): -57.5011 -57.5011 -30.4006 -30.3981 -21.8173 -21.8094 -21.6453 -21.6442 -4.5890 -4.5890 -4.5091 -4.5090 -3.7813 -3.7813 -3.7104 -3.7104 -3.5362 -3.5361 -2.4490 -2.4075 -2.0623 -2.0600 4.3328 4.3556 5.1208 5.1279 5.5134 5.5526 5.9952 6.0100 7.2114 7.2350 8.3057 8.4555 9.1117 9.1139 9.6431 9.7984 10.3772 10.4046 13.6178 13.7118 13.8189 14.0193 14.2387 14.2761 k = 0.4635 0.3518 0.1949 ( 2750 PWs) bands (ev): -57.5011 -57.5011 -30.4010 -30.3981 -21.8174 -21.8081 -21.6468 -21.6457 -4.5881 -4.5881 -4.5085 -4.5084 -3.7812 -3.7811 -3.7096 -3.7096 -3.5382 -3.5381 -2.4466 -2.3984 -2.0596 -2.0569 4.3504 4.3769 5.1266 5.1348 5.5138 5.5594 5.9886 6.0053 7.1932 7.2192 8.2186 8.3767 9.1381 9.1406 9.6838 9.8492 10.3760 10.4079 13.5863 13.6691 13.8285 14.0003 14.2046 14.2166 k = 0.4583 0.3608 0.1949 ( 2754 PWs) bands (ev): -57.5010 -57.5010 -30.4014 -30.3981 -21.8173 -21.8067 -21.6486 -21.6475 -4.5871 -4.5870 -4.5078 -4.5077 -3.7810 -3.7810 -3.7087 -3.7087 -3.5405 -3.5404 -2.4434 -2.3886 -2.0565 -2.0535 4.3709 4.4011 5.1331 5.1423 5.5148 5.5667 5.9815 5.9999 7.1738 7.2014 8.1270 8.2905 9.1679 9.1708 9.7275 9.9006 10.3751 10.4114 13.5508 13.6233 13.8386 13.9577 14.1478 14.1870 k = 0.4531 0.3699 0.1949 ( 2758 PWs) bands (ev): -57.5010 -57.5010 -30.4018 -30.3982 -21.8172 -21.8052 -21.6506 -21.6496 -4.5860 -4.5859 -4.5070 -4.5068 -3.7808 -3.7808 -3.7077 -3.7077 -3.5430 -3.5429 -2.4394 -2.3782 -2.0531 -2.0497 4.3943 4.4281 5.1401 5.1504 5.5162 5.5743 5.9739 5.9938 7.1536 7.1820 8.0317 8.1985 9.2010 9.2042 9.7731 9.9523 10.3746 10.4152 13.5114 13.5762 13.8462 13.8948 14.0713 14.1822 k = 0.4479 0.3789 0.1949 ( 2754 PWs) bands (ev): -57.5009 -57.5009 -30.4022 -30.3982 -21.8170 -21.8035 -21.6527 -21.6517 -4.5848 -4.5847 -4.5061 -4.5059 -3.7806 -3.7806 -3.7065 -3.7065 -3.5458 -3.5456 -2.4346 -2.3671 -2.0493 -2.0456 4.4205 4.4577 5.1476 5.1588 5.5181 5.5822 5.9661 5.9871 7.1328 7.1611 7.9337 8.1019 9.2372 9.2407 9.8202 10.0042 10.3747 10.4194 13.4678 13.5283 13.8194 13.8477 13.9905 14.1816 k = 0.4427 0.3879 0.1949 ( 2754 PWs) bands (ev): -57.5009 -57.5009 -30.4027 -30.3983 -21.8167 -21.8018 -21.6549 -21.6541 -4.5835 -4.5835 -4.5051 -4.5049 -3.7804 -3.7803 -3.7052 -3.7052 -3.5488 -3.5486 -2.4291 -2.3555 -2.0452 -2.0411 4.4494 4.4901 5.1553 5.1674 5.5202 5.5903 5.9583 5.9802 7.1117 7.1388 7.8337 8.0016 9.2763 9.2800 9.8681 10.0562 10.3755 10.4241 13.4194 13.4797 13.7374 13.8306 13.9174 14.1794 k = 0.4375 0.3969 0.1949 ( 2758 PWs) bands (ev): -57.5008 -57.5008 -30.4031 -30.3984 -21.8164 -21.8000 -21.6573 -21.6567 -4.5823 -4.5822 -4.5040 -4.5038 -3.7801 -3.7800 -3.7038 -3.7038 -3.5520 -3.5519 -2.4230 -2.3433 -2.0408 -2.0364 4.4809 4.5250 5.1630 5.1759 5.5227 5.5987 5.9507 5.9732 7.0907 7.1150 7.7325 7.8985 9.3182 9.3219 9.9167 10.1082 10.3773 10.4294 13.3646 13.4296 13.6530 13.7663 13.8813 14.1722 k = 0.4323 0.4059 0.1949 ( 2746 PWs) bands (ev): -57.5007 -57.5007 -30.4035 -30.3985 -21.8159 -21.7980 -21.6597 -21.6594 -4.5810 -4.5809 -4.5028 -4.5027 -3.7798 -3.7797 -3.7022 -3.7022 -3.5554 -3.5552 -2.4163 -2.3308 -2.0361 -2.0315 4.5151 4.5623 5.1706 5.1841 5.5253 5.6072 5.9436 5.9665 7.0698 7.0897 7.6312 7.7933 9.3629 9.3664 9.9656 10.1601 10.3805 10.4355 13.3007 13.3767 13.5701 13.6733 13.8652 14.1591 k = 0.4271 0.4150 0.1949 ( 2742 PWs) bands (ev): -57.5006 -57.5006 -30.4039 -30.3986 -21.8155 -21.7961 -21.6623 -21.6621 -4.5797 -4.5796 -4.5016 -4.5014 -3.7795 -3.7794 -3.7005 -3.7005 -3.5590 -3.5588 -2.4090 -2.3179 -2.0313 -2.0263 4.5517 4.6021 5.1778 5.1918 5.5280 5.6157 5.9374 5.9603 7.0493 7.0621 7.5309 7.6866 9.4101 9.4132 10.0148 10.2113 10.3858 10.4425 13.2247 13.3178 13.4926 13.5747 13.8491 14.1402 k = 0.4219 0.4240 0.1949 ( 2746 PWs) bands (ev): -57.5005 -57.5005 -30.4044 -30.3987 -21.8151 -21.7941 -21.6654 -21.6647 -4.5785 -4.5784 -4.5004 -4.5002 -3.7792 -3.7791 -3.6987 -3.6986 -3.5628 -3.5626 -2.4013 -2.3048 -2.0262 -2.0210 4.5907 4.6440 5.1843 5.1986 5.5308 5.6242 5.9324 5.9552 7.0292 7.0315 7.4331 7.5790 9.4598 9.4622 10.0639 10.2609 10.3944 10.4506 13.1346 13.2473 13.4228 13.4804 13.8293 14.1167 k = 0.4167 0.4330 0.1949 ( 2746 PWs) bands (ev): -57.5005 -57.5005 -30.4049 -30.3989 -21.8147 -21.7920 -21.6685 -21.6673 -4.5772 -4.5772 -4.4991 -4.4989 -3.7788 -3.7787 -3.6967 -3.6967 -3.5666 -3.5665 -2.3932 -2.2916 -2.0210 -2.0156 4.6320 4.6880 5.1900 5.2043 5.5335 5.6327 5.9289 5.9516 6.9959 7.0094 7.3402 7.4712 9.5119 9.5132 10.1127 10.3064 10.4090 10.4602 13.0308 13.1586 13.3607 13.3981 13.8056 14.0901 k = 0.4115 0.4420 0.1949 ( 2746 PWs) bands (ev): -57.5004 -57.5004 -30.4053 -30.3991 -21.8142 -21.7899 -21.6717 -21.6698 -4.5761 -4.5760 -4.4978 -4.4976 -3.7784 -3.7783 -3.6946 -3.6946 -3.5706 -3.5704 -2.3848 -2.2782 -2.0158 -2.0102 4.6755 4.7340 5.1945 5.2086 5.5362 5.6410 5.9274 5.9497 6.9527 6.9901 7.2554 7.3635 9.5660 9.5664 10.1611 10.3433 10.4344 10.4716 12.9154 13.0498 13.3045 13.3305 13.7785 14.0617 k = 0.4062 0.4511 0.1949 ( 2742 PWs) bands (ev): -57.5003 -57.5003 -30.4057 -30.3992 -21.8137 -21.7877 -21.6750 -21.6723 -4.5749 -4.5749 -4.4965 -4.4962 -3.7780 -3.7778 -3.6924 -3.6924 -3.5747 -3.5745 -2.3762 -2.2649 -2.0104 -2.0047 4.7209 4.7817 5.1977 5.2115 5.5388 5.6492 5.9281 5.9500 6.8988 6.9711 7.1821 7.2565 9.6205 9.6231 10.2086 10.3694 10.4732 10.4852 12.7909 12.9250 13.2521 13.2740 13.7489 14.0329 k = 0.4010 0.4601 0.1949 ( 2740 PWs) bands (ev): -57.5002 -57.5002 -30.4062 -30.3994 -21.8133 -21.7855 -21.6783 -21.6748 -4.5739 -4.5738 -4.4951 -4.4949 -3.7775 -3.7774 -3.6901 -3.6901 -3.5789 -3.5786 -2.3674 -2.2518 -2.0051 -1.9992 4.7682 4.8309 5.1994 5.2127 5.5413 5.6571 5.9313 5.9528 6.8324 6.9524 7.1227 7.1507 9.6764 9.6821 10.2547 10.3890 10.5014 10.5210 12.6591 12.7895 13.2021 13.2237 13.7180 14.0048 k = 0.3958 0.4691 0.1949 ( 2744 PWs) bands (ev): -57.5002 -57.5002 -30.4066 -30.3996 -21.8129 -21.7834 -21.6816 -21.6772 -4.5729 -4.5728 -4.4938 -4.4936 -3.7771 -3.7769 -3.6877 -3.6877 -3.5831 -3.5828 -2.3586 -2.2388 -1.9999 -1.9938 4.8171 4.8813 5.1996 5.2121 5.5437 5.6647 5.9370 5.9581 6.7551 6.9336 7.0469 7.0758 9.7335 9.7432 10.2990 10.4072 10.5207 10.5731 12.5217 12.6467 13.1538 13.1768 13.6867 13.9781 k = 0.3906 0.4781 0.1949 ( 2744 PWs) bands (ev): -57.5001 -57.5001 -30.4070 -30.3998 -21.8126 -21.7813 -21.6849 -21.6794 -4.5720 -4.5719 -4.4926 -4.4923 -3.7766 -3.7764 -3.6852 -3.6852 -3.5873 -3.5870 -2.3499 -2.2263 -1.9947 -1.9885 4.8675 4.9326 5.1983 5.2100 5.5463 5.6721 5.9453 5.9660 6.6707 6.9127 6.9474 7.0382 9.7915 9.8064 10.3410 10.4266 10.5435 10.6270 12.3800 12.4993 13.1068 13.1316 13.6563 13.9537 k = 0.3854 0.4871 0.1949 ( 2744 PWs) bands (ev): -57.5000 -57.5000 -30.4074 -30.4000 -21.8123 -21.7792 -21.6881 -21.6815 -4.5712 -4.5711 -4.4914 -4.4911 -3.7761 -3.7759 -3.6827 -3.6827 -3.5914 -3.5911 -2.3414 -2.2142 -1.9897 -1.9834 4.9189 4.9844 5.1957 5.2064 5.5489 5.6791 5.9560 5.9765 6.5829 6.8423 6.9004 7.0067 9.8501 9.8716 10.3805 10.4486 10.5699 10.6814 12.2350 12.3489 13.0611 13.0872 13.6274 13.9318 k = 0.3802 0.4962 0.1949 ( 2752 PWs) bands (ev): -57.5000 -57.5000 -30.4078 -30.4003 -21.8121 -21.7772 -21.6913 -21.6835 -4.5704 -4.5704 -4.4902 -4.4900 -3.7756 -3.7754 -3.6801 -3.6801 -3.5955 -3.5952 -2.3331 -2.2027 -1.9850 -1.9786 4.9710 5.0358 5.1922 5.2015 5.5518 5.6857 5.9689 5.9892 6.4944 6.7475 6.8813 6.9792 9.9088 9.9386 10.4175 10.4741 10.5995 10.7352 12.0877 12.1969 13.0169 13.0436 13.6007 13.9128 k = 0.3750 0.5052 0.1949 ( 2756 PWs) bands (ev): -57.4999 -57.4999 -30.4082 -30.4005 -21.8119 -21.7753 -21.6943 -21.6854 -4.5698 -4.5697 -4.4892 -4.4889 -3.7752 -3.7750 -3.6776 -3.6775 -3.5994 -3.5991 -2.3252 -2.1918 -1.9805 -1.9740 5.0234 5.0858 5.1887 5.1957 5.5550 5.6921 5.9836 6.0038 6.4072 6.6558 6.8632 6.9543 9.9672 10.0073 10.4528 10.5039 10.6315 10.7877 11.9392 12.0445 12.9748 13.0011 13.5767 13.8966 k = 0.3698 0.5142 0.1949 ( 2758 PWs) bands (ev): -57.4998 -57.4998 -30.4085 -30.4007 -21.8117 -21.7734 -21.6971 -21.6870 -4.5692 -4.5691 -4.4882 -4.4879 -3.7747 -3.7745 -3.6750 -3.6750 -3.6032 -3.6028 -2.3178 -2.1818 -1.9763 -1.9698 5.0753 5.1303 5.1886 5.1896 5.5587 5.6981 5.9996 6.0199 6.3228 6.5688 6.8455 6.9314 10.0245 10.0773 10.4870 10.5384 10.6646 10.8379 11.7904 11.8928 12.9353 12.9602 13.5556 13.8833 k = 0.3646 0.5232 0.1949 ( 2762 PWs) bands (ev): -57.4998 -57.4998 -30.4088 -30.4009 -21.8116 -21.7718 -21.6997 -21.6884 -4.5687 -4.5687 -4.4874 -4.4871 -3.7743 -3.7741 -3.6726 -3.6725 -3.6067 -3.6063 -2.3110 -2.1728 -1.9725 -1.9660 5.1253 5.1548 5.1839 5.2061 5.5628 5.7039 6.0161 6.0368 6.2426 6.4878 6.8284 6.9104 10.0803 10.1484 10.5213 10.5783 10.6975 10.8847 11.6423 11.7433 12.8992 12.9220 13.5374 13.8726 k = 0.3594 0.5322 0.1949 ( 2758 PWs) bands (ev): -57.4997 -57.4997 -30.4091 -30.4010 -21.8115 -21.7703 -21.7019 -21.6896 -4.5683 -4.5682 -4.4866 -4.4863 -3.7739 -3.7737 -3.6704 -3.6703 -3.6098 -3.6095 -2.3050 -2.1648 -1.9692 -1.9627 5.1566 5.1645 5.1869 5.2427 5.5675 5.7098 6.0323 6.0539 6.1682 6.4139 6.8122 6.8912 10.1336 10.2199 10.5562 10.6236 10.7290 10.9271 11.4961 11.5973 12.8673 12.8875 13.5219 13.8642 k = 0.3542 0.5413 0.1949 ( 2750 PWs) bands (ev): -57.4997 -57.4997 -30.4092 -30.4010 -21.8114 -21.7690 -21.7038 -21.6906 -4.5680 -4.5679 -4.4860 -4.4857 -3.7735 -3.7733 -3.6683 -3.6682 -3.6126 -3.6122 -2.2998 -2.1580 -1.9663 -1.9598 5.1529 5.1665 5.2236 5.2802 5.5727 5.7158 6.0458 6.0702 6.1027 6.3490 6.7973 6.8742 10.1837 10.2908 10.5923 10.6742 10.7579 10.9637 11.3533 11.4568 12.8403 12.8579 13.5092 13.8579 k = 0.3490 0.5503 0.1949 ( 2754 PWs) bands (ev): -57.4997 -57.4997 -30.4094 -30.4012 -21.8114 -21.7680 -21.7054 -21.6914 -4.5677 -4.5677 -4.4855 -4.4852 -3.7733 -3.7730 -3.6666 -3.6665 -3.6149 -3.6145 -2.2955 -2.1525 -1.9640 -1.9575 5.1486 5.1622 5.2615 5.3122 5.5783 5.7221 6.0334 6.0707 6.0848 6.2949 6.7843 6.8598 10.2291 10.3595 10.6290 10.7293 10.7838 10.9929 11.2166 11.3251 12.8188 12.8343 13.4989 13.8534 k = 0.3438 0.5593 0.1949 ( 2750 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8115 -21.7673 -21.7064 -21.6919 -4.5675 -4.5675 -4.4851 -4.4848 -3.7730 -3.7728 -3.6653 -3.6652 -3.6166 -3.6162 -2.2923 -2.1485 -1.9623 -1.9558 5.1449 5.1584 5.2915 5.3364 5.5835 5.7286 5.9912 6.0777 6.0966 6.2540 6.7740 6.8487 10.2677 10.4230 10.6645 10.7863 10.8061 11.0123 11.0912 11.2089 12.8036 12.8174 13.4912 13.8504 k = 0.3385 0.5683 0.1949 ( 2750 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7668 -21.7071 -21.6922 -4.5675 -4.5674 -4.4849 -4.4846 -3.7729 -3.7726 -3.6645 -3.6644 -3.6176 -3.6172 -2.2903 -2.1460 -1.9612 -1.9547 5.1424 5.1559 5.3106 5.3512 5.5874 5.7342 5.9613 6.0845 6.1045 6.2286 6.7672 6.8415 10.2958 10.4747 10.6925 10.8230 10.8375 10.9920 11.0164 11.1247 12.7945 12.8076 13.4863 13.8486 k = 0.3333 0.5774 0.1949 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5674 -4.5674 -4.4849 -4.4845 -3.7729 -3.7726 -3.6643 -3.6641 -3.6180 -3.6175 -2.2897 -2.1451 -1.9609 -1.9544 5.1415 5.1549 5.3171 5.3560 5.5888 5.7366 5.9507 6.0870 6.1073 6.2200 6.7647 6.8390 10.3070 10.4982 10.7026 10.8273 10.8606 10.9531 11.0093 11.0971 12.7916 12.8046 13.4845 13.8480 k = 0.3333 0.5774 0.1949 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5674 -4.5674 -4.4849 -4.4845 -3.7729 -3.7726 -3.6643 -3.6641 -3.6180 -3.6175 -2.2897 -2.1451 -1.9609 -1.9544 5.1415 5.1549 5.3171 5.3560 5.5888 5.7366 5.9507 6.0870 6.1073 6.2200 6.7647 6.8390 10.3070 10.4982 10.7026 10.8273 10.8606 10.9531 11.0093 11.0971 12.7916 12.8046 13.4845 13.8480 k = 0.3280 0.5682 0.1949 ( 2752 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7668 -21.7072 -21.6922 -4.5675 -4.5674 -4.4849 -4.4846 -3.7729 -3.7726 -3.6645 -3.6644 -3.6177 -3.6172 -2.2904 -2.1460 -1.9613 -1.9548 5.1425 5.1560 5.3108 5.3512 5.5873 5.7339 5.9614 6.0842 6.1041 6.2286 6.7674 6.8418 10.2926 10.4659 10.7008 10.8344 10.8464 10.9813 11.0152 11.1204 12.7943 12.8072 13.4867 13.8487 k = 0.3228 0.5590 0.1949 ( 2756 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4013 -21.8114 -21.7672 -21.7066 -21.6920 -4.5676 -4.5675 -4.4851 -4.4848 -3.7731 -3.7728 -3.6652 -3.6651 -3.6167 -3.6163 -2.2927 -2.1489 -1.9625 -1.9560 5.1457 5.1591 5.2939 5.3377 5.5833 5.7269 5.9904 6.0759 6.0941 6.2531 6.7758 6.8502 10.2472 10.3813 10.7014 10.8364 10.8618 11.0108 11.0420 11.1823 12.8015 12.8134 13.4942 13.8509 k = 0.3175 0.5499 0.1949 ( 2754 PWs) bands (ev): -57.4997 -57.4997 -30.4094 -30.4011 -21.8112 -21.7677 -21.7055 -21.6915 -4.5677 -4.5677 -4.4855 -4.4852 -3.7734 -3.7731 -3.6663 -3.6661 -3.6153 -3.6148 -2.2967 -2.1537 -1.9645 -1.9580 5.1513 5.1646 5.2695 5.3172 5.5776 5.7175 6.0272 6.0671 6.0769 6.2909 6.7897 6.8644 10.1751 10.2745 10.6948 10.8493 10.9063 10.9932 11.1187 11.2640 12.8117 12.8205 13.5087 13.8551 k = 0.3122 0.5407 0.1949 ( 2754 PWs) bands (ev): -57.4997 -57.4997 -30.4092 -30.4010 -21.8110 -21.7684 -21.7042 -21.6908 -4.5680 -4.5679 -4.4859 -4.4856 -3.7738 -3.7735 -3.6676 -3.6674 -3.6135 -3.6131 -2.3024 -2.1607 -1.9674 -1.9608 5.1592 5.1724 5.2410 5.2917 5.5710 5.7069 6.0278 6.0529 6.0978 6.3392 6.8090 6.8840 10.0861 10.1618 10.6777 10.8802 10.9622 10.9689 11.2052 11.3554 12.8229 12.8252 13.5317 13.8621 k = 0.3069 0.5315 0.1949 ( 2754 PWs) bands (ev): -57.4998 -57.4998 -30.4089 -30.4008 -21.8106 -21.7691 -21.7026 -21.6900 -4.5682 -4.5682 -4.4865 -4.4862 -3.7743 -3.7741 -3.6690 -3.6688 -3.6115 -3.6111 -2.3099 -2.1698 -1.9712 -1.9646 5.1695 5.1819 5.2115 5.2634 5.5638 5.6953 6.0018 6.0225 6.1556 6.3955 6.8330 6.9085 9.9891 10.0493 10.6520 10.9037 10.9596 11.0254 11.2987 11.4529 12.8247 12.8328 13.5645 13.8729 k = 0.3016 0.5224 0.1949 ( 2758 PWs) bands (ev): -57.4998 -57.4998 -30.4086 -30.4006 -21.8101 -21.7698 -21.7007 -21.6890 -4.5686 -4.5685 -4.4873 -4.4870 -3.7750 -3.7748 -3.6704 -3.6703 -3.6093 -3.6089 -2.3193 -2.1811 -1.9759 -1.9693 5.1769 5.1815 5.1994 5.2349 5.5562 5.6828 5.9683 5.9864 6.2200 6.4578 6.8608 6.9372 9.8895 9.9397 10.6199 10.8779 11.0045 11.0941 11.3975 11.5551 12.8170 12.8393 13.6073 13.8883 k = 0.2963 0.5132 0.1949 ( 2754 PWs) bands (ev): -57.4999 -57.4999 -30.4082 -30.4003 -21.8094 -21.7704 -21.6987 -21.6879 -4.5690 -4.5689 -4.4880 -4.4877 -3.7758 -3.7756 -3.6718 -3.6717 -3.6071 -3.6067 -2.3307 -2.1947 -1.9816 -1.9749 5.1501 5.1883 5.2132 5.2145 5.5481 5.6693 5.9297 5.9454 6.2880 6.5247 6.8917 6.9693 9.7908 9.8344 10.5831 10.8362 11.0691 11.1673 11.5005 11.6610 12.8011 12.8405 13.6594 13.9090 k = 0.2910 0.5040 0.1949 ( 2748 PWs) bands (ev): -57.5000 -57.5000 -30.4077 -30.3999 -21.8085 -21.7709 -21.6965 -21.6867 -4.5694 -4.5694 -4.4889 -4.4886 -3.7767 -3.7765 -3.6731 -3.6731 -3.6049 -3.6045 -2.3441 -2.2106 -1.9882 -1.9815 5.1246 5.1699 5.2231 5.2306 5.5394 5.6545 5.8871 5.9003 6.3586 6.5948 6.9250 7.0042 9.6951 9.7342 10.5428 10.7900 11.1418 11.2446 11.6070 11.7702 12.7772 12.8349 13.7190 13.9354 k = 0.2857 0.4949 0.1949 ( 2744 PWs) bands (ev): -57.5001 -57.5001 -30.4071 -30.3995 -21.8074 -21.7712 -21.6942 -21.6854 -4.5699 -4.5699 -4.4899 -4.4896 -3.7777 -3.7775 -3.6744 -3.6743 -3.6027 -3.6024 -2.3595 -2.2289 -1.9958 -1.9890 5.1023 5.1454 5.2420 5.2501 5.5301 5.6384 5.8415 5.8521 6.4307 6.6674 6.9599 7.0411 9.6036 9.6398 10.5002 10.7415 11.2203 11.3257 11.7164 11.8822 12.7462 12.8219 13.7838 13.9669 k = 0.2804 0.4857 0.1949 ( 2744 PWs) bands (ev): -57.5002 -57.5002 -30.4065 -30.3991 -21.8061 -21.7715 -21.6918 -21.6840 -4.5705 -4.5704 -4.4909 -4.4906 -3.7789 -3.7787 -3.6755 -3.6755 -3.6007 -3.6004 -2.3770 -2.2495 -2.0043 -1.9975 5.0837 5.1227 5.2635 5.2706 5.5199 5.6208 5.7944 5.8018 6.5039 6.7418 6.9958 7.0796 9.5173 9.5515 10.4560 10.6919 11.3038 11.4107 11.8283 11.9965 12.7093 12.8014 13.8510 14.0028 k = 0.2751 0.4765 0.1949 ( 2748 PWs) bands (ev): -57.5004 -57.5004 -30.4059 -30.3986 -21.8047 -21.7716 -21.6894 -21.6826 -4.5711 -4.5710 -4.4920 -4.4917 -3.7801 -3.7800 -3.6765 -3.6764 -3.5989 -3.5986 -2.3965 -2.2724 -2.0138 -2.0070 5.0694 5.1030 5.2854 5.2909 5.5091 5.6017 5.7474 5.7512 6.5776 6.8173 7.0323 7.1190 9.4369 9.4697 10.4112 10.6421 11.3918 11.4992 11.9421 12.1123 12.6685 12.7743 13.9175 14.0411 k = 0.2698 0.4674 0.1949 ( 2754 PWs) bands (ev): -57.5005 -57.5005 -30.4053 -30.3981 -21.8030 -21.7714 -21.6870 -21.6811 -4.5718 -4.5717 -4.4932 -4.4929 -3.7815 -3.7813 -3.6773 -3.6773 -3.5972 -3.5970 -2.4181 -2.2975 -2.0242 -2.0174 5.0594 5.0866 5.3055 5.3084 5.4975 5.5811 5.7027 5.7033 6.6515 6.8933 7.0692 7.1590 9.3627 9.3946 10.3664 10.5927 11.4838 11.5913 12.0571 12.2279 12.6263 12.7418 13.9805 14.0800 k = 0.2646 0.4582 0.1949 ( 2758 PWs) bands (ev): -57.5007 -57.5007 -30.4045 -30.3975 -21.8010 -21.7711 -21.6844 -21.6795 -4.5725 -4.5724 -4.4944 -4.4942 -3.7829 -3.7827 -3.6781 -3.6780 -3.5958 -3.5956 -2.4417 -2.3250 -2.0356 -2.0288 5.0539 5.0739 5.3190 5.3198 5.4846 5.5589 5.6610 5.6668 6.7250 6.9692 7.1063 7.1993 9.2952 9.3264 10.3221 10.5443 11.5795 11.6867 12.1720 12.3377 12.5894 12.7061 14.0371 14.1169 k = 0.2593 0.4491 0.1949 ( 2756 PWs) bands (ev): -57.5009 -57.5009 -30.4036 -30.3969 -21.7988 -21.7704 -21.6819 -21.6778 -4.5732 -4.5732 -4.4957 -4.4954 -3.7843 -3.7842 -3.6786 -3.6786 -3.5946 -3.5944 -2.4673 -2.3545 -2.0479 -2.0411 5.0531 5.0648 5.3167 5.3227 5.4690 5.5347 5.6339 5.6444 6.7978 7.0435 7.1444 7.2397 9.2345 9.2653 10.2788 10.4974 11.6785 11.7853 12.2838 12.4152 12.5850 12.6712 14.0844 14.1494 k = 0.2540 0.4399 0.1949 ( 2772 PWs) bands (ev): -57.5011 -57.5011 -30.4028 -30.3963 -21.7964 -21.7697 -21.6794 -21.6763 -4.5741 -4.5740 -4.4970 -4.4967 -3.7858 -3.7858 -3.6791 -3.6791 -3.5937 -3.5935 -2.4949 -2.3862 -2.0610 -2.0544 5.0568 5.0592 5.2967 5.3082 5.4493 5.5082 5.6287 5.6416 6.8695 7.1130 7.1861 7.2801 9.1808 9.2113 10.2369 10.4522 11.7802 11.8868 12.3833 12.4161 12.6473 12.6587 14.1200 14.1747 k = 0.2487 0.4307 0.1949 ( 2768 PWs) bands (ev): -57.5013 -57.5013 -30.4018 -30.3955 -21.7937 -21.7685 -21.6769 -21.6746 -4.5749 -4.5748 -4.4982 -4.4980 -3.7874 -3.7873 -3.6795 -3.6795 -3.5929 -3.5927 -2.5243 -2.4200 -2.0750 -2.0684 5.0567 5.0650 5.2593 5.2747 5.4280 5.4796 5.6455 5.6582 6.9394 7.1705 7.2383 7.3206 9.1342 9.1642 10.1969 10.4091 11.8835 11.9907 12.3793 12.4420 12.6638 12.7729 14.1420 14.1904 k = 0.2434 0.4216 0.1949 ( 2764 PWs) bands (ev): -57.5016 -57.5016 -30.4007 -30.3946 -21.7907 -21.7671 -21.6743 -21.6728 -4.5758 -4.5757 -4.4995 -4.4993 -3.7889 -3.7889 -3.6797 -3.6797 -3.5924 -3.5923 -2.5555 -2.4556 -2.0898 -2.0834 5.0567 5.0775 5.2088 5.2260 5.4079 5.4494 5.6785 5.6898 7.0070 7.2130 7.3034 7.3613 9.0945 9.1241 10.1589 10.3684 11.9858 12.0960 12.3372 12.4401 12.7420 12.8980 14.1492 14.1942 k = 0.2381 0.4124 0.1949 ( 2772 PWs) bands (ev): -57.5018 -57.5018 -30.3997 -30.3938 -21.7875 -21.7654 -21.6718 -21.6711 -4.5768 -4.5767 -4.5009 -4.5006 -3.7905 -3.7905 -3.6799 -3.6799 -3.5922 -3.5921 -2.5885 -2.4931 -2.1054 -2.0991 5.0579 5.0938 5.1498 5.1677 5.3901 5.4182 5.7223 5.7319 7.0718 7.2470 7.3748 7.4026 9.0618 9.0908 10.1232 10.3300 12.0786 12.1997 12.3050 12.4110 12.8516 13.0273 14.1413 14.1847 k = 0.2328 0.4032 0.1949 ( 2766 PWs) bands (ev): -57.5021 -57.5021 -30.3985 -30.3928 -21.7839 -21.7634 -21.6693 -21.6693 -4.5777 -4.5776 -4.5022 -4.5019 -3.7921 -3.7921 -3.6800 -3.6799 -3.5922 -3.5921 -2.6231 -2.5322 -2.1218 -2.1157 5.0564 5.0845 5.1066 5.1142 5.3752 5.3864 5.7737 5.7814 7.1329 7.2770 7.4449 7.4476 9.0357 9.0639 10.0900 10.2943 12.1305 12.2825 12.3159 12.3951 12.9719 13.1589 14.1191 14.1615 k = 0.2275 0.3941 0.1949 ( 2760 PWs) bands (ev): -57.5023 -57.5023 -30.3972 -30.3917 -21.7802 -21.7612 -21.6675 -21.6667 -4.5787 -4.5786 -4.5035 -4.5033 -3.7937 -3.7936 -3.6800 -3.6799 -3.5925 -3.5924 -2.6593 -2.5729 -2.1389 -2.1329 5.0168 5.0227 5.0727 5.1352 5.3557 5.3645 5.8309 5.8367 7.1899 7.3045 7.4887 7.5201 9.0159 9.0432 10.0594 10.2611 12.1194 12.2824 12.3927 12.4603 13.0963 13.2917 14.0839 14.1253 k = 0.2222 0.3849 0.1949 ( 2764 PWs) bands (ev): -57.5026 -57.5026 -30.3959 -30.3907 -21.7763 -21.7588 -21.6657 -21.6642 -4.5798 -4.5797 -4.5048 -4.5046 -3.7953 -3.7952 -3.6800 -3.6799 -3.5930 -3.5930 -2.6968 -2.6151 -2.1566 -2.1508 4.9465 4.9557 5.0664 5.1548 5.3294 5.3599 5.8928 5.8967 7.2422 7.3303 7.5343 7.5916 9.0021 9.0282 10.0314 10.2306 12.0829 12.2426 12.4981 12.5653 13.2226 13.4250 14.0373 14.0775 k = 0.2169 0.3757 0.1949 ( 2764 PWs) bands (ev): -57.5029 -57.5029 -30.3946 -30.3896 -21.7721 -21.7561 -21.6638 -21.6617 -4.5809 -4.5808 -4.5061 -4.5059 -3.7968 -3.7967 -3.6799 -3.6799 -3.5937 -3.5937 -2.7357 -2.6585 -2.1749 -2.1694 4.8746 4.8838 5.0580 5.1647 5.3153 5.3634 5.9588 5.9607 7.2898 7.3548 7.5818 7.6614 8.9939 9.0185 10.0063 10.2027 12.0409 12.1972 12.6117 12.6765 13.3498 13.5578 13.9813 14.0202 k = 0.2116 0.3666 0.1949 ( 2762 PWs) bands (ev): -57.5032 -57.5032 -30.3932 -30.3885 -21.7677 -21.7532 -21.6619 -21.6592 -4.5821 -4.5820 -4.5075 -4.5073 -3.7984 -3.7982 -3.6799 -3.6798 -3.5947 -3.5946 -2.7758 -2.7031 -2.1937 -2.1885 4.8019 4.8105 5.0433 5.1552 5.3231 5.3763 6.0281 6.0283 7.3328 7.3784 7.6310 7.7291 8.9906 9.0136 9.9841 10.1775 11.9987 12.1516 12.7278 12.7884 13.4769 13.6888 13.9182 13.9558 k = 0.2063 0.3574 0.1949 ( 2766 PWs) bands (ev): -57.5035 -57.5035 -30.3918 -30.3873 -21.7632 -21.7502 -21.6600 -21.6567 -4.5833 -4.5832 -4.5088 -4.5086 -3.7999 -3.7997 -3.6798 -3.6798 -3.5958 -3.5958 -2.8170 -2.7487 -2.2131 -2.2081 4.7287 4.7365 5.0219 5.1279 5.3513 5.3986 6.0988 6.1012 7.3719 7.4015 7.6813 7.7944 8.9918 9.0130 9.9647 10.1548 11.9583 12.1071 12.8435 12.8985 13.6028 13.8116 13.8542 13.8872 k = 0.2011 0.3482 0.1949 ( 2762 PWs) bands (ev): -57.5039 -57.5039 -30.3903 -30.3860 -21.7585 -21.7469 -21.6580 -21.6542 -4.5845 -4.5844 -4.5101 -4.5099 -3.8014 -3.8012 -3.6798 -3.6797 -3.5971 -3.5970 -2.8590 -2.7952 -2.2329 -2.2281 4.6554 4.6625 4.9944 5.0905 5.3920 5.4294 6.1723 6.1769 7.4079 7.4243 7.7320 7.8569 8.9970 9.0161 9.9483 10.1346 11.9205 12.0646 12.9567 13.0049 13.7202 13.7737 13.8238 13.9403 k = 0.1958 0.3391 0.1949 ( 2758 PWs) bands (ev): -57.5042 -57.5042 -30.3887 -30.3847 -21.7537 -21.7434 -21.6560 -21.6516 -4.5858 -4.5857 -4.5114 -4.5112 -3.8028 -3.8026 -3.6798 -3.6797 -3.5985 -3.5984 -2.9019 -2.8423 -2.2531 -2.2486 4.5822 4.5887 4.9619 5.0477 5.4404 5.4677 6.2484 6.2554 7.4417 7.4472 7.7822 7.9162 9.0056 9.0225 9.9348 10.1168 11.8857 12.0243 13.0647 13.1056 13.6994 13.7227 13.8737 14.0466 k = 0.1905 0.3299 0.1949 ( 2750 PWs) bands (ev): -57.5045 -57.5045 -30.3871 -30.3833 -21.7487 -21.7397 -21.6539 -21.6490 -4.5872 -4.5871 -4.5127 -4.5125 -3.8042 -3.8039 -3.6798 -3.6798 -3.6000 -3.5998 -2.9455 -2.8901 -2.2736 -2.2693 4.5096 4.5154 4.9254 5.0018 5.4945 5.5125 6.3268 6.3364 7.4705 7.4740 7.8312 7.9719 9.0170 9.0316 9.9243 10.1013 11.8544 11.9867 13.1646 13.1985 13.6239 13.6525 13.9971 14.1266 k = 0.1852 0.3208 0.1949 ( 2746 PWs) bands (ev): -57.5049 -57.5049 -30.3855 -30.3820 -21.7437 -21.7360 -21.6517 -21.6464 -4.5885 -4.5884 -4.5140 -4.5139 -3.8056 -3.8053 -3.6800 -3.6799 -3.6015 -3.6013 -2.9896 -2.9382 -2.2943 -2.2904 4.4376 4.4428 4.8858 4.9537 5.5531 5.5627 6.4074 6.4197 7.4946 7.5056 7.8782 8.0237 9.0308 9.0430 9.9166 10.0880 11.8268 11.9518 13.2528 13.2813 13.5490 13.5793 14.1261 14.1747 k = 0.1799 0.3116 0.1949 ( 2746 PWs) bands (ev): -57.5052 -57.5052 -30.3839 -30.3806 -21.7386 -21.7322 -21.6494 -21.6437 -4.5899 -4.5898 -4.5153 -4.5152 -3.8069 -3.8066 -3.6803 -3.6802 -3.6031 -3.6029 -3.0340 -2.9866 -2.3153 -2.3116 4.3664 4.3711 4.8435 4.9039 5.6157 5.6180 6.4898 6.5049 7.5196 7.5372 7.9227 8.0713 9.0464 9.0562 9.9119 10.0768 11.8031 11.9200 13.3256 13.3518 13.4758 13.5083 14.2054 14.2580 k = 0.1746 0.3024 0.1949 ( 2750 PWs) bands (ev): -57.5056 -57.5056 -30.3823 -30.3792 -21.7336 -21.7283 -21.6471 -21.6410 -4.5914 -4.5913 -4.5167 -4.5165 -3.8083 -3.8079 -3.6807 -3.6806 -3.6047 -3.6044 -3.0788 -3.0351 -2.3364 -2.3330 4.2963 4.3005 4.7992 4.8529 5.6776 5.6819 6.5738 6.5920 7.5459 7.5691 7.9641 8.1142 9.0635 9.0708 9.9100 10.0676 11.7833 11.8911 13.3780 13.4025 13.4079 13.4474 14.2333 14.3911 k = 0.1693 0.2933 0.1949 ( 2746 PWs) bands (ev): -57.5060 -57.5060 -30.3806 -30.3777 -21.7286 -21.7244 -21.6445 -21.6381 -4.5929 -4.5928 -4.5180 -4.5179 -3.8095 -3.8091 -3.6812 -3.6812 -3.6063 -3.6059 -3.1236 -3.0836 -2.3576 -2.3545 4.2275 4.2311 4.7532 4.8010 5.7413 5.7514 6.6592 6.6806 7.5737 7.6020 8.0021 8.1523 9.0816 9.0864 9.9108 10.0603 11.7676 11.8655 13.3357 13.3671 13.4193 13.4636 14.2630 14.4680 k = 0.1640 0.2841 0.1949 ( 2738 PWs) bands (ev): -57.5063 -57.5063 -30.3789 -30.3762 -21.7237 -21.7205 -21.6418 -21.6351 -4.5944 -4.5943 -4.5193 -4.5192 -3.8108 -3.8103 -3.6819 -3.6819 -3.6078 -3.6074 -3.1685 -3.1319 -2.3789 -2.3760 4.1599 4.1631 4.7060 4.7485 5.8086 5.8239 6.7457 6.7706 7.6031 7.6361 8.0363 8.1854 9.1003 9.1027 9.9140 10.0546 11.7561 11.8432 13.2730 13.3082 13.4382 13.4958 14.2925 14.4455 k = 0.1587 0.2749 0.1949 ( 2746 PWs) bands (ev): -57.5067 -57.5067 -30.3773 -30.3748 -21.7190 -21.7167 -21.6389 -21.6321 -4.5960 -4.5959 -4.5207 -4.5206 -3.8120 -3.8115 -3.6829 -3.6828 -3.6092 -3.6087 -3.2131 -3.1799 -2.4001 -2.3974 4.0938 4.0967 4.6577 4.6954 5.8793 5.8992 6.8331 6.8615 7.6343 7.6716 8.0666 8.2133 9.1194 9.1195 9.9195 10.0503 11.7488 11.8244 13.2144 13.2529 13.4433 13.5184 14.3173 14.4124 k = 0.1534 0.2658 0.1949 ( 2748 PWs) bands (ev): -57.5071 -57.5071 -30.3756 -30.3733 -21.7144 -21.7130 -21.6358 -21.6289 -4.5976 -4.5975 -4.5221 -4.5220 -3.8133 -3.8127 -3.6840 -3.6839 -3.6105 -3.6100 -3.2575 -3.2275 -2.4212 -2.4188 4.0293 4.0318 4.6087 4.6421 5.9530 5.9771 6.9211 6.9533 7.6675 7.7088 8.0927 8.2360 9.1365 9.1386 9.9268 10.0473 11.7458 11.8092 13.1608 13.2027 13.4375 13.5319 14.3335 14.3738 k = 0.1481 0.2566 0.1949 ( 2756 PWs) bands (ev): -57.5075 -57.5075 -30.3740 -30.3719 -21.7101 -21.7093 -21.6325 -21.6256 -4.5993 -4.5992 -4.5235 -4.5234 -3.8145 -3.8139 -3.6853 -3.6853 -3.6118 -3.6112 -3.3013 -3.2744 -2.4422 -2.4400 3.9665 3.9687 4.5592 4.5887 6.0296 6.0574 7.0094 7.0455 7.7027 7.7478 8.1147 8.2536 9.1534 9.1576 9.9356 10.0451 11.7472 11.7980 13.1126 13.1580 13.4241 13.5378 14.3306 14.3388 k = 0.1429 0.2474 0.1949 ( 2756 PWs) bands (ev): -57.5079 -57.5079 -30.3723 -30.3704 -21.7060 -21.7058 -21.6289 -21.6221 -4.6009 -4.6009 -4.5249 -4.5249 -3.8157 -3.8151 -3.6869 -3.6868 -3.6130 -3.6123 -3.3445 -3.3205 -2.4629 -2.4610 3.9054 3.9074 4.5095 4.5355 6.1088 6.1398 7.0977 7.1378 7.7402 7.7887 8.1326 8.2662 9.1700 9.1763 9.9452 10.0435 11.7530 11.7911 13.0700 13.1190 13.4053 13.5376 14.2832 14.3327 k = 0.1376 0.2383 0.1949 ( 2756 PWs) bands (ev): -57.5083 -57.5083 -30.3706 -30.3689 -21.7025 -21.7022 -21.6251 -21.6184 -4.6026 -4.6026 -4.5264 -4.5263 -3.8169 -3.8163 -3.6886 -3.6885 -3.6143 -3.6134 -3.3869 -3.3656 -2.4834 -2.4817 3.8462 3.8479 4.4598 4.4826 6.1902 6.2240 7.1857 7.2300 7.7798 7.8316 8.1466 8.2742 9.1864 9.1944 9.9551 10.0420 11.7635 11.7887 13.0329 13.0857 13.3831 13.5327 14.2321 14.3160 k = 0.1323 0.2291 0.1949 ( 2752 PWs) bands (ev): -57.5086 -57.5086 -30.3690 -30.3674 -21.6993 -21.6986 -21.6210 -21.6146 -4.6043 -4.6043 -4.5278 -4.5277 -3.8182 -3.8174 -3.6905 -3.6904 -3.6158 -3.6146 -3.4281 -3.4095 -2.5036 -2.5020 3.7890 3.7904 4.4102 4.4302 6.2737 6.3100 7.2732 7.3215 7.8219 7.8762 8.1570 8.2777 9.2022 9.2118 9.9646 10.0404 11.7787 11.7914 13.0015 13.0578 13.3590 13.5242 14.1779 14.2900 k = 0.1270 0.2199 0.1949 ( 2754 PWs) bands (ev): -57.5090 -57.5090 -30.3673 -30.3660 -21.6963 -21.6954 -21.6166 -21.6106 -4.6061 -4.6060 -4.5293 -4.5292 -3.8195 -3.8187 -3.6925 -3.6924 -3.6178 -3.6163 -3.4677 -3.4518 -2.5234 -2.5220 3.7336 3.7349 4.3610 4.3785 6.3590 6.3974 7.3598 7.4121 7.8662 7.9224 8.1642 8.2773 9.2174 9.2285 9.9733 10.0381 11.7987 11.7994 12.9755 13.0352 13.3338 13.5131 14.1211 14.2564 k = 0.1217 0.2108 0.1949 ( 2758 PWs) bands (ev): -57.5094 -57.5094 -30.3658 -30.3645 -21.6936 -21.6925 -21.6121 -21.6065 -4.6078 -4.6077 -4.5308 -4.5307 -3.8208 -3.8200 -3.6947 -3.6947 -3.6209 -3.6188 -3.5050 -3.4919 -2.5428 -2.5416 3.6804 3.6814 4.3124 4.3275 6.4458 6.4859 7.4453 7.5013 7.9130 7.9696 8.1691 8.2734 9.2319 9.2443 9.9805 10.0350 11.8130 11.8236 12.9547 13.0174 13.3083 13.5001 14.0622 14.2165 k = 0.1164 0.2016 0.1949 ( 2758 PWs) bands (ev): -57.5098 -57.5098 -30.3642 -30.3631 -21.6910 -21.6899 -21.6074 -21.6022 -4.6096 -4.6095 -4.5322 -4.5322 -3.8223 -3.8213 -3.6970 -3.6970 -3.6267 -3.6234 -3.5383 -3.5284 -2.5618 -2.5607 3.6292 3.6301 4.2645 4.2776 6.5339 6.5754 7.5295 7.5887 7.9623 8.0167 8.1728 8.2663 9.2456 9.2592 9.9858 10.0307 11.8326 11.8535 12.9388 13.0040 13.2833 13.4861 14.0018 14.1716 k = 0.1111 0.1925 0.1949 ( 2766 PWs) bands (ev): -57.5101 -57.5101 -30.3627 -30.3617 -21.6888 -21.6876 -21.6026 -21.5978 -4.6113 -4.6113 -4.5337 -4.5337 -3.8239 -3.8229 -3.6994 -3.6994 -3.6382 -3.6330 -3.5645 -3.5584 -2.5802 -2.5792 3.5801 3.5809 4.2175 4.2288 6.6229 6.6654 7.6122 7.6738 8.0138 8.0607 8.1785 8.2566 9.2585 9.2730 9.9888 10.0251 11.8583 11.8883 12.9273 12.9946 13.2592 13.4714 13.9405 14.1228 k = 0.1058 0.1833 0.1949 ( 2764 PWs) bands (ev): -57.5105 -57.5105 -30.3612 -30.3603 -21.6866 -21.6855 -21.5976 -21.5933 -4.6131 -4.6130 -4.5352 -4.5352 -3.8258 -3.8246 -3.7019 -3.7018 -3.6581 -3.6512 -3.5806 -3.5780 -2.5980 -2.5972 3.5332 3.5338 4.1717 4.1812 6.7125 6.7558 7.6931 7.7562 8.0677 8.0947 8.1934 8.2448 9.2705 9.2858 9.9894 10.0180 11.8901 11.9279 12.9200 12.9888 13.2363 13.4564 13.8789 14.0713 k = 0.1005 0.1741 0.1949 ( 2772 PWs) bands (ev): -57.5109 -57.5109 -30.3598 -30.3590 -21.6847 -21.6837 -21.5927 -21.5889 -4.6149 -4.6148 -4.5367 -4.5366 -3.8281 -3.8268 -3.7044 -3.7044 -3.6843 -3.6774 -3.5886 -3.5876 -2.6153 -2.6146 3.4884 3.4890 4.1270 4.1351 6.8024 6.8462 7.7722 7.8355 8.1106 8.1236 8.2253 8.2315 9.2816 9.2975 9.9874 10.0095 11.9277 11.9721 12.9163 12.9860 13.2149 13.4415 13.8174 14.0177 k = 0.0952 0.1650 0.1949 ( 2768 PWs) bands (ev): -57.5112 -57.5112 -30.3583 -30.3577 -21.6830 -21.6820 -21.5876 -21.5843 -4.6166 -4.6165 -4.5381 -4.5381 -3.8312 -3.8296 -3.7137 -3.7092 -3.7058 -3.7044 -3.5922 -3.5919 -2.6319 -2.6313 3.4459 3.4464 4.0838 4.0906 6.8923 6.9362 7.8493 7.9114 8.1124 8.1811 8.2173 8.2703 9.2917 9.3080 9.9831 9.9995 11.9711 12.0207 12.9158 12.9857 13.1954 13.4268 13.7568 13.9629 k = 0.0899 0.1558 0.1949 ( 2764 PWs) bands (ev): -57.5115 -57.5115 -30.3569 -30.3564 -21.6814 -21.6805 -21.5826 -21.5797 -4.6183 -4.6183 -4.5395 -4.5395 -3.8356 -3.8336 -3.7406 -3.7361 -3.7088 -3.7088 -3.5938 -3.5937 -2.6478 -2.6473 3.4056 3.4060 4.0420 4.0477 6.9817 7.0254 7.9241 7.9832 8.1080 8.2025 8.2402 8.3208 9.3008 9.3172 9.9765 9.9883 12.0197 12.0732 12.9180 12.9876 13.1780 13.4123 13.6976 13.9076 k = 0.0847 0.1466 0.1949 ( 2768 PWs) bands (ev): -57.5118 -57.5118 -30.3556 -30.3552 -21.6800 -21.6793 -21.5777 -21.5752 -4.6200 -4.6200 -4.5409 -4.5409 -3.8425 -3.8399 -3.7650 -3.7620 -3.7113 -3.7113 -3.5944 -3.5944 -2.6630 -2.6626 3.3676 3.3679 4.0020 4.0067 7.0702 7.1135 7.9953 8.0492 8.1022 8.1905 8.2994 8.3730 9.3088 9.3251 9.9680 9.9761 12.0731 12.1292 12.9225 12.9912 13.1627 13.3980 13.6406 13.8524 k = 0.0794 0.1375 0.1949 ( 2770 PWs) bands (ev): -57.5121 -57.5121 -30.3544 -30.3540 -21.6788 -21.6782 -21.5729 -21.5709 -4.6216 -4.6216 -4.5423 -4.5423 -3.8536 -3.8504 -3.7843 -3.7828 -3.7137 -3.7136 -3.5944 -3.5944 -2.6774 -2.6771 3.3319 3.3321 3.9637 3.9676 7.1575 7.1999 8.0535 8.1015 8.1060 8.1889 8.3585 8.4251 9.3157 9.3317 9.9578 9.9630 12.1307 12.1883 12.9289 12.9962 13.1497 13.3834 13.5868 13.7979 k = 0.0741 0.1283 0.1949 ( 2770 PWs) bands (ev): -57.5124 -57.5124 -30.3532 -30.3529 -21.6777 -21.6772 -21.5683 -21.5666 -4.6232 -4.6232 -4.5436 -4.5436 -3.8695 -3.8661 -3.7972 -3.7968 -3.7159 -3.7159 -3.5941 -3.5940 -2.6911 -2.6908 3.2984 3.2986 3.9274 3.9305 7.2430 7.2843 8.0657 8.1193 8.1531 8.2192 8.4165 8.4762 9.3213 9.3367 9.9464 9.9494 12.1919 12.2499 12.9370 13.0023 13.1391 13.3678 13.5374 13.7446 k = 0.0688 0.1191 0.1949 ( 2770 PWs) bands (ev): -57.5126 -57.5126 -30.3521 -30.3519 -21.6768 -21.6763 -21.5638 -21.5624 -4.6248 -4.6248 -4.5449 -4.5449 -3.8890 -3.8860 -3.8051 -3.8051 -3.7180 -3.7180 -3.5935 -3.5935 -2.7039 -2.7037 3.2672 3.2673 3.8930 3.8955 7.3262 7.3661 8.0583 8.1121 8.2177 8.2724 8.4728 8.5254 9.3255 9.3401 9.9341 9.9355 12.2559 12.3133 12.9463 13.0092 13.1308 13.3499 13.4942 13.6930 k = 0.0635 0.1100 0.1949 ( 2766 PWs) bands (ev): -57.5129 -57.5129 -30.3510 -30.3508 -21.6759 -21.6755 -21.5595 -21.5584 -4.6263 -4.6262 -4.5461 -4.5461 -3.9100 -3.9074 -3.8100 -3.8099 -3.7200 -3.7200 -3.5929 -3.5928 -2.7159 -2.7157 3.2383 3.2384 3.8608 3.8627 7.4066 7.4447 8.0483 8.0988 8.2831 8.3299 8.5267 8.5723 9.3283 9.3418 9.9213 9.9216 12.3221 12.3779 12.9568 13.0167 13.1248 13.3282 13.4591 13.6437 k = 0.0582 0.1008 0.1949 ( 2766 PWs) bands (ev): -57.5131 -57.5131 -30.3500 -30.3499 -21.6751 -21.6748 -21.5555 -21.5547 -4.6277 -4.6276 -4.5472 -4.5472 -3.9308 -3.9288 -3.8131 -3.8130 -3.7219 -3.7219 -3.5921 -3.5921 -2.7270 -2.7268 3.2117 3.2118 3.8308 3.8323 7.4836 7.5196 8.0381 8.0842 8.3472 8.3873 8.5776 8.6164 9.3294 9.3416 9.9079 9.9083 12.3896 12.4429 12.9683 13.0246 13.1208 13.3021 13.4330 13.5972 k = 0.0529 0.0916 0.1949 ( 2766 PWs) bands (ev): -57.5133 -57.5133 -30.3491 -30.3490 -21.6745 -21.6743 -21.5518 -21.5511 -4.6290 -4.6290 -4.5483 -4.5483 -3.9508 -3.9493 -3.8153 -3.8152 -3.7236 -3.7236 -3.5914 -3.5914 -2.7372 -2.7371 3.1874 3.1874 3.8031 3.8042 7.5565 7.5901 8.0284 8.0698 8.4091 8.4429 8.6252 8.6576 9.3288 9.3395 9.8946 9.8954 12.4576 12.5074 12.9808 13.0329 13.1185 13.2727 13.4149 13.5540 k = 0.0476 0.0825 0.1949 ( 2762 PWs) bands (ev): -57.5135 -57.5135 -30.3483 -30.3482 -21.6739 -21.6737 -21.5483 -21.5479 -4.6302 -4.6302 -4.5493 -4.5493 -3.9694 -3.9683 -3.8168 -3.8167 -3.7252 -3.7252 -3.5906 -3.5906 -2.7465 -2.7464 3.1654 3.1654 3.7778 3.7786 7.6248 7.6555 8.0197 8.0563 8.4684 8.4964 8.6693 8.6956 9.3264 9.3354 9.8821 9.8830 12.5251 12.5704 12.9945 13.0416 13.1175 13.2425 13.4027 13.5146 k = 0.0423 0.0733 0.1949 ( 2764 PWs) bands (ev): -57.5137 -57.5137 -30.3475 -30.3475 -21.6734 -21.6733 -21.5452 -21.5449 -4.6313 -4.6313 -4.5502 -4.5502 -3.9864 -3.9857 -3.8180 -3.8179 -3.7267 -3.7267 -3.5899 -3.5899 -2.7549 -2.7548 3.1457 3.1458 3.7549 3.7555 7.6876 7.7150 8.0125 8.0441 8.5246 8.5469 8.7099 8.7305 9.3220 9.3293 9.8704 9.8712 12.5910 12.6309 13.0096 13.0508 13.1173 13.2136 13.3943 13.4796 k = 0.0370 0.0642 0.1949 ( 2764 PWs) bands (ev): -57.5139 -57.5139 -30.3469 -30.3468 -21.6730 -21.6729 -21.5424 -21.5422 -4.6323 -4.6323 -4.5510 -4.5510 -4.0017 -4.0012 -3.8189 -3.8188 -3.7280 -3.7280 -3.5892 -3.5892 -2.7623 -2.7623 3.1284 3.1284 3.7346 3.7350 7.7441 7.7677 8.0073 8.0337 8.5768 8.5938 8.7469 8.7624 9.3158 9.3214 9.8597 9.8604 12.6540 12.6875 13.0263 13.0607 13.1174 13.1874 13.3884 13.4495 k = 0.0317 0.0550 0.1949 ( 2764 PWs) bands (ev): -57.5140 -57.5140 -30.3463 -30.3463 -21.6726 -21.6726 -21.5399 -21.5398 -4.6332 -4.6332 -4.5517 -4.5517 -4.0151 -4.0148 -3.8196 -3.8196 -3.7291 -3.7291 -3.5886 -3.5886 -2.7688 -2.7687 3.1133 3.1134 3.7169 3.7171 7.7934 7.8125 8.0046 8.0256 8.6242 8.6362 8.7807 8.7915 9.3077 9.3117 9.8501 9.8506 12.7125 12.7388 13.0450 13.0715 13.1174 13.1650 13.3842 13.4246 k = 0.0265 0.0458 0.1949 ( 2768 PWs) bands (ev): -57.5141 -57.5141 -30.3459 -30.3458 -21.6724 -21.6723 -21.5379 -21.5378 -4.6340 -4.6340 -4.5523 -4.5523 -4.0266 -4.0264 -3.8202 -3.8202 -3.7301 -3.7301 -3.5881 -3.5881 -2.7743 -2.7742 3.1006 3.1006 3.7018 3.7019 7.8345 7.8486 8.0051 8.0202 8.6657 8.6734 8.8112 8.8180 9.2983 9.3009 9.8418 9.8422 12.7647 12.7832 13.0653 13.0835 13.1172 13.1470 13.3812 13.4053 k = 0.0212 0.0367 0.1949 ( 2764 PWs) bands (ev): -57.5142 -57.5142 -30.3454 -30.3454 -21.6721 -21.6721 -21.5361 -21.5361 -4.6346 -4.6346 -4.5528 -4.5528 -4.0360 -4.0359 -3.8206 -3.8206 -3.7309 -3.7309 -3.5876 -3.5876 -2.7788 -2.7787 3.0902 3.0902 3.6894 3.6895 7.8663 7.8752 8.0090 8.0183 8.7002 8.7046 8.8384 8.8421 9.2880 9.2895 9.8349 9.8351 12.8086 12.8198 13.0853 13.0956 13.1181 13.1348 13.3791 13.3916 k = 0.0159 0.0275 0.1949 ( 2760 PWs) bands (ev): -57.5143 -57.5143 -30.3451 -30.3451 -21.6719 -21.6719 -21.5347 -21.5347 -4.6351 -4.6351 -4.5532 -4.5532 -4.0434 -4.0433 -3.8209 -3.8209 -3.7315 -3.7315 -3.5873 -3.5873 -2.7823 -2.7823 3.0821 3.0821 3.6797 3.6797 7.8886 7.8928 8.0154 8.0199 8.7271 8.7290 8.8618 8.8634 9.2779 9.2785 9.8294 9.8295 12.8425 12.8479 13.0984 13.1030 13.1250 13.1327 13.3778 13.3830 k = 0.0106 0.0183 0.1949 ( 2756 PWs) bands (ev): -57.5143 -57.5143 -30.3448 -30.3448 -21.6718 -21.6718 -21.5337 -21.5337 -4.6355 -4.6355 -4.5535 -4.5535 -4.0487 -4.0487 -3.8211 -3.8211 -3.7319 -3.7319 -3.5870 -3.5870 -2.7848 -2.7848 3.0763 3.0763 3.6728 3.6728 7.9020 7.9033 8.0223 8.0237 8.7459 8.7465 8.8801 8.8806 9.2690 9.2692 9.8255 9.8255 12.8659 12.8676 13.1011 13.1026 13.1394 13.1417 13.3771 13.3786 k = 0.0053 0.0092 0.1949 ( 2754 PWs) bands (ev): -57.5143 -57.5143 -30.3447 -30.3447 -21.6717 -21.6717 -21.5331 -21.5331 -4.6357 -4.6357 -4.5537 -4.5537 -4.0519 -4.0519 -3.8213 -3.8213 -3.7322 -3.7322 -3.5868 -3.5868 -2.7863 -2.7863 3.0728 3.0728 3.6686 3.6686 7.9086 7.9088 8.0274 8.0276 8.7569 8.7570 8.8919 8.8920 9.2628 9.2629 9.8231 9.8231 12.8792 12.8794 13.1003 13.1005 13.1513 13.1516 13.3768 13.3770 k = 0.0000 0.0000 0.1949 ( 2746 PWs) bands (ev): -57.5143 -57.5143 -30.3446 -30.3446 -21.6717 -21.6717 -21.5328 -21.5328 -4.6358 -4.6358 -4.5537 -4.5537 -4.0529 -4.0529 -3.8213 -3.8213 -3.7322 -3.7322 -3.5868 -3.5868 -2.7868 -2.7868 3.0717 3.0717 3.6672 3.6672 7.9105 7.9105 8.0292 8.0292 8.7605 8.7605 8.8961 8.8961 9.2606 9.2606 9.8223 9.8223 12.8834 12.8834 13.0998 13.0998 13.1557 13.1557 13.3768 13.3768 k = 0.5000 0.2887 0.1949 ( 2760 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8153 -21.8153 -21.6403 -21.6403 -4.5918 -4.5918 -4.5109 -4.5109 -3.7817 -3.7817 -3.7126 -3.7126 -3.5306 -3.5306 -2.4446 -2.4446 -2.0693 -2.0693 4.2897 4.2897 5.1056 5.1056 5.5224 5.5224 6.0187 6.0187 7.2754 7.2754 8.6534 8.6534 9.0368 9.0368 9.5578 9.5578 10.3886 10.3886 13.7258 13.7258 13.9514 13.9514 14.4207 14.4207 k = 0.5000 0.2887 0.1846 ( 2762 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8154 -21.8154 -21.6403 -21.6403 -4.5919 -4.5917 -4.5109 -4.5108 -3.7817 -3.7817 -3.7126 -3.7126 -3.5306 -3.5306 -2.4456 -2.4423 -2.0715 -2.0684 4.2886 4.2891 5.0993 5.1124 5.5024 5.5349 6.0167 6.0358 7.2755 7.2756 8.6518 8.6542 9.0354 9.0363 9.5490 9.5533 10.3861 10.3952 13.7166 13.7374 13.9505 13.9517 14.4096 14.4318 k = 0.5000 0.2887 0.1744 ( 2758 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8153 -21.8153 -21.6403 -21.6403 -4.5920 -4.5917 -4.5109 -4.5108 -3.7818 -3.7818 -3.7126 -3.7125 -3.5307 -3.5305 -2.4453 -2.4387 -2.0750 -2.0687 4.2857 4.2867 5.0934 5.1197 5.4768 5.5389 6.0306 6.0660 7.2759 7.2761 8.6493 8.6542 9.0322 9.0339 9.5275 9.5356 10.3879 10.4053 13.7092 13.7517 13.9489 13.9518 14.3946 14.4446 k = 0.5000 0.2887 0.1641 ( 2758 PWs) bands (ev): -57.5013 -57.5013 -30.3990 -30.3990 -21.8153 -21.8153 -21.6403 -21.6403 -4.5921 -4.5916 -4.5110 -4.5107 -3.7820 -3.7820 -3.7127 -3.7125 -3.5307 -3.5305 -2.4437 -2.4339 -2.0797 -2.0704 4.2812 4.2827 5.0877 5.1274 5.4481 5.5353 6.0594 6.1067 7.2766 7.2770 8.6460 8.6534 9.0272 9.0292 9.4948 9.5058 10.3935 10.4180 13.7028 13.7685 13.9461 13.9519 14.3697 14.4591 k = 0.5000 0.2887 0.1538 ( 2754 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8153 -21.8153 -21.6403 -21.6403 -4.5922 -4.5916 -4.5110 -4.5107 -3.7823 -3.7822 -3.7127 -3.7125 -3.5307 -3.5305 -2.4408 -2.4279 -2.0856 -2.0733 4.2754 4.2772 5.0823 5.1351 5.4184 5.5264 6.1007 6.1558 7.2776 7.2781 8.6419 8.6519 9.0204 9.0220 9.4523 9.4655 10.4023 10.4322 13.6965 13.7871 13.9421 13.9519 14.3322 14.4736 k = 0.5000 0.2887 0.1436 ( 2754 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8153 -21.8153 -21.6403 -21.6403 -4.5923 -4.5916 -4.5111 -4.5107 -3.7826 -3.7826 -3.7127 -3.7125 -3.5308 -3.5305 -2.4366 -2.4207 -2.0926 -2.0774 4.2682 4.2704 5.0770 5.1426 5.3894 5.5144 6.1520 6.2116 7.2789 7.2795 8.6371 8.6496 9.0113 9.0116 9.4023 9.4169 10.4132 10.4470 13.6894 13.8057 13.9370 13.9520 14.2884 14.4795 k = 0.5000 0.2887 0.1333 ( 2750 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8153 -21.8153 -21.6402 -21.6402 -4.5924 -4.5916 -4.5111 -4.5107 -3.7830 -3.7829 -3.7127 -3.7125 -3.5308 -3.5305 -2.4312 -2.4124 -2.1008 -2.0828 4.2601 4.2625 5.0717 5.1493 5.3627 5.5011 6.2109 6.2726 7.2803 7.2811 8.6314 8.6468 8.9971 8.9996 9.3470 9.3629 10.4255 10.4616 13.6809 13.8214 13.9319 13.9519 14.2464 14.4666 k = 0.5000 0.2887 0.1231 ( 2742 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8153 -21.8153 -21.6402 -21.6402 -4.5925 -4.5916 -4.5111 -4.5106 -3.7834 -3.7833 -3.7127 -3.7125 -3.5308 -3.5305 -2.4247 -2.4030 -2.1100 -2.0893 4.2513 4.2537 5.0664 5.1541 5.3397 5.4878 6.2756 6.3377 7.2820 7.2830 8.6250 8.6434 8.9770 8.9841 9.2891 9.3067 10.4383 10.4755 13.6707 13.8290 13.9301 13.9516 14.2118 14.4473 k = 0.5000 0.2887 0.1128 ( 2734 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6402 -21.6402 -4.5926 -4.5916 -4.5111 -4.5106 -3.7838 -3.7837 -3.7128 -3.7125 -3.5308 -3.5305 -2.4169 -2.3926 -2.1203 -2.0970 4.2419 4.2444 5.0612 5.1559 5.3217 5.4752 6.3446 6.4060 7.2838 7.2849 8.6177 8.6396 8.9492 8.9631 9.2322 9.2521 10.4512 10.4883 13.6589 13.8235 13.9345 13.9511 14.1879 14.4312 k = 0.5000 0.2887 0.1026 ( 2740 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6402 -21.6402 -4.5927 -4.5917 -4.5112 -4.5106 -3.7843 -3.7842 -3.7128 -3.7125 -3.5309 -3.5305 -2.4081 -2.3814 -2.1314 -2.1058 4.2324 4.2349 5.0561 5.1537 5.3101 5.4636 6.4167 6.4764 7.2856 7.2870 8.6095 8.6352 8.9116 8.9343 9.1803 9.2033 10.4637 10.4997 13.6458 13.8057 13.9433 13.9504 14.1761 14.4194 k = 0.5000 0.2887 0.0923 ( 2744 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8152 -21.8152 -21.6403 -21.6403 -4.5928 -4.5918 -4.5112 -4.5106 -3.7848 -3.7847 -3.7128 -3.7125 -3.5309 -3.5305 -2.3982 -2.3693 -2.1434 -2.1156 4.2230 4.2253 5.0513 5.1470 5.3051 5.4531 6.4906 6.5480 7.2875 7.2891 8.5999 8.6305 8.8631 8.8958 9.1375 9.1631 10.4756 10.5096 13.6320 13.7804 13.9497 13.9521 14.1761 14.4112 k = 0.5000 0.2887 0.0820 ( 2744 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8152 -21.8152 -21.6403 -21.6403 -4.5929 -4.5919 -4.5112 -4.5107 -3.7852 -3.7852 -3.7128 -3.7126 -3.5309 -3.5306 -2.3874 -2.3565 -2.1562 -2.1263 4.2139 4.2160 5.0470 5.1368 5.3059 5.4436 6.5652 6.6197 7.2894 7.2912 8.5883 8.6249 8.8057 8.8483 9.1055 9.1319 10.4866 10.5181 13.6184 13.7516 13.9490 13.9583 14.1857 14.4055 k = 0.5000 0.2887 0.0718 ( 2744 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8152 -21.8152 -21.6403 -21.6403 -4.5929 -4.5920 -4.5112 -4.5107 -3.7857 -3.7856 -3.7128 -3.7126 -3.5309 -3.5306 -2.3757 -2.3430 -2.1696 -2.1379 4.2053 4.2072 5.0434 5.1243 5.3108 5.4349 6.6393 6.6901 7.2912 7.2932 8.5735 8.6174 8.7438 8.7963 9.0827 9.1083 10.4966 10.5251 13.6056 13.7220 13.9486 13.9616 14.2023 14.4010 k = 0.5000 0.2887 0.0615 ( 2742 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6402 -21.6402 -4.5929 -4.5921 -4.5112 -4.5107 -3.7860 -3.7860 -3.7128 -3.7126 -3.5310 -3.5307 -2.3632 -2.3290 -2.1836 -2.1502 4.1974 4.1991 5.0406 5.1111 5.3184 5.4268 6.7114 6.7579 7.2930 7.2951 8.5535 8.6038 8.6862 8.7462 9.0669 9.0901 10.5057 10.5307 13.5943 13.6935 13.9484 13.9628 14.2228 14.3966 k = 0.5000 0.2887 0.0513 ( 2746 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8153 -21.8153 -21.6402 -21.6402 -4.5930 -4.5922 -4.5112 -4.5108 -3.7864 -3.7864 -3.7129 -3.7127 -3.5310 -3.5307 -2.3500 -2.3146 -2.1980 -2.1633 4.1905 4.1919 5.0388 5.0980 5.3276 5.4190 6.7796 6.8210 7.2945 7.2968 8.5262 8.5716 8.6490 8.7044 9.0558 9.0760 10.5137 10.5350 13.5851 13.6671 13.9486 13.9625 14.2451 14.3917 k = 0.5000 0.2887 0.0410 ( 2746 PWs) bands (ev): -57.5012 -57.5012 -30.3989 -30.3989 -21.8153 -21.8153 -21.6402 -21.6402 -4.5930 -4.5923 -4.5112 -4.5108 -3.7867 -3.7867 -3.7129 -3.7127 -3.5310 -3.5308 -2.3362 -2.2999 -2.2127 -2.1770 4.1846 4.1858 5.0382 5.0857 5.3376 5.4112 6.8419 6.8772 7.2960 7.2982 8.4924 8.5224 8.6347 8.6743 9.0482 9.0649 10.5206 10.5379 13.5784 13.6434 13.9492 13.9613 14.2676 14.3856 k = 0.5000 0.2887 0.0308 ( 2736 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6402 -21.6402 -4.5929 -4.5924 -4.5111 -4.5109 -3.7870 -3.7870 -3.7128 -3.7127 -3.5309 -3.5308 -2.3219 -2.2853 -2.2273 -2.1911 4.1800 4.1809 5.0389 5.0745 5.3478 5.4033 6.8960 6.9240 7.2973 7.2993 8.4567 8.4738 8.6292 8.6545 9.0434 9.0561 10.5266 10.5397 13.5746 13.6230 13.9501 13.9597 14.2891 14.3779 k = 0.5000 0.2887 0.0205 ( 2740 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8153 -21.8153 -21.6402 -21.6402 -4.5929 -4.5925 -4.5111 -4.5109 -3.7872 -3.7872 -3.7128 -3.7127 -3.5309 -3.5308 -2.3073 -2.2718 -2.2408 -2.2056 4.1766 4.1772 5.0410 5.0647 5.3580 5.3951 6.9389 6.9585 7.2984 7.2999 8.4258 8.4346 8.6271 8.6419 9.0408 9.0494 10.5314 10.5402 13.5739 13.6060 13.9512 13.9579 14.3091 14.3684 k = 0.5000 0.2887 0.0103 ( 2742 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8153 -21.8153 -21.6402 -21.6402 -4.5928 -4.5926 -4.5111 -4.5110 -3.7873 -3.7873 -3.7128 -3.7128 -3.5309 -3.5309 -2.2926 -2.2672 -2.2455 -2.2203 4.1746 4.1749 5.0446 5.0565 5.3679 5.3865 6.9682 6.9783 7.2993 7.3002 8.4054 8.4090 8.6272 8.6341 9.0402 9.0445 10.5352 10.5396 13.5766 13.5926 13.9526 13.9560 14.3272 14.3568 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5012 -57.5012 -30.3988 -30.3988 -21.8152 -21.8152 -21.6401 -21.6401 -4.5927 -4.5927 -4.5110 -4.5110 -3.7873 -3.7873 -3.7128 -3.7128 -3.5309 -3.5309 -2.2782 -2.2782 -2.2346 -2.2346 4.1741 4.1741 5.0498 5.0498 5.3774 5.3774 6.9817 6.9817 7.2999 7.2999 8.3992 8.3992 8.6294 8.6294 9.0415 9.0415 10.5380 10.5380 13.5828 13.5828 13.9543 13.9543 14.3431 14.3431 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7666 -21.7073 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7764 -3.7707 -3.6641 -3.6641 -3.6180 -3.6175 -2.1326 -2.1260 -2.1207 -1.9812 5.1923 5.2142 5.2352 5.2425 5.2887 5.3579 5.8738 6.1145 6.7876 6.8209 6.9387 7.0044 9.9452 9.9652 10.1782 10.3520 10.5128 10.7448 11.2713 11.6108 12.7510 12.7999 13.4659 13.4949 k = 0.3333 0.5774 0.0103 ( 2733 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4011 -21.8114 -21.7666 -21.7072 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7764 -3.7707 -3.6641 -3.6641 -3.6180 -3.6175 -2.1414 -2.1261 -2.1118 -1.9810 5.1919 5.2138 5.2366 5.2430 5.2891 5.3594 5.8744 6.1153 6.7831 6.8166 6.9378 7.0033 9.9512 9.9710 10.1787 10.3526 10.5150 10.7470 11.2675 11.6060 12.7521 12.7999 13.4719 13.5011 k = 0.3333 0.5774 0.0205 ( 2733 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4011 -21.8114 -21.7666 -21.7072 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7763 -3.7707 -3.6641 -3.6641 -3.6180 -3.6175 -2.1542 -2.1266 -2.0989 -1.9804 5.1909 5.2125 5.2406 5.2448 5.2902 5.3638 5.8761 6.1175 6.7697 6.8041 6.9348 6.9999 9.9688 9.9880 10.1803 10.3544 10.5213 10.7534 11.2561 11.5921 12.7549 12.7999 13.4896 13.5193 k = 0.3333 0.5774 0.0308 ( 2739 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7666 -21.7073 -21.6922 -4.5677 -4.5664 -4.4848 -4.4845 -3.7762 -3.7708 -3.6641 -3.6641 -3.6180 -3.6175 -2.1672 -2.1273 -2.0858 -1.9794 5.1892 5.2103 5.2454 5.2497 5.2920 5.3711 5.8789 6.1211 6.7481 6.7836 6.9298 6.9943 9.9977 10.0159 10.1829 10.3574 10.5316 10.7640 11.2378 11.5697 12.7591 12.7997 13.5188 13.5490 k = 0.3333 0.5774 0.0410 ( 2739 PWs) bands (ev): -57.4996 -57.4996 -30.4095 -30.4012 -21.8114 -21.7666 -21.7073 -21.6923 -4.5677 -4.5665 -4.4848 -4.4845 -3.7761 -3.7709 -3.6641 -3.6641 -3.6180 -3.6175 -2.1800 -2.1283 -2.0729 -1.9780 5.1869 5.2075 5.2491 5.2593 5.2946 5.3813 5.8827 6.1261 6.7191 6.7558 6.9227 6.9868 10.0371 10.0538 10.1865 10.3616 10.5458 10.7784 11.2133 11.5401 12.7641 12.7995 13.5587 13.5892 k = 0.3333 0.5774 0.0513 ( 2745 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4012 -21.8114 -21.7666 -21.7074 -21.6923 -4.5677 -4.5666 -4.4848 -4.4846 -3.7759 -3.7710 -3.6641 -3.6641 -3.6180 -3.6175 -2.1925 -2.1295 -2.0602 -1.9764 5.1841 5.2039 5.2532 5.2722 5.2979 5.3943 5.8873 6.1321 6.6835 6.7215 6.9135 6.9774 10.0859 10.1007 10.1912 10.3671 10.5634 10.7963 11.1836 11.5046 12.7693 12.7993 13.6085 13.6385 k = 0.3333 0.5774 0.0615 ( 2745 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4012 -21.8114 -21.7666 -21.7074 -21.6923 -4.5677 -4.5666 -4.4848 -4.4846 -3.7756 -3.7711 -3.6642 -3.6641 -3.6180 -3.6175 -2.2046 -2.1309 -2.0480 -1.9745 5.1807 5.1998 5.2579 5.2879 5.3019 5.4102 5.8926 6.1391 6.6423 6.6814 6.9026 6.9666 10.1430 10.1555 10.1969 10.3738 10.5839 10.8172 11.1497 11.4646 12.7743 12.7990 13.6671 13.6953 k = 0.3333 0.5774 0.0718 ( 2757 PWs) bands (ev): -57.4996 -57.4996 -30.4097 -30.4013 -21.8115 -21.7667 -21.7074 -21.6924 -4.5677 -4.5667 -4.4848 -4.4846 -3.7754 -3.7713 -3.6642 -3.6642 -3.6180 -3.6176 -2.2161 -2.1324 -2.0363 -1.9725 5.1769 5.1953 5.2631 5.3063 5.3065 5.4288 5.8984 6.1469 6.5966 6.6366 6.8901 6.9545 10.2036 10.2069 10.2169 10.3817 10.6069 10.8406 11.1128 11.4216 12.7788 12.7988 13.7331 13.7572 k = 0.3333 0.5774 0.0820 ( 2751 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5676 -4.5668 -4.4848 -4.4846 -3.7751 -3.7714 -3.6642 -3.6641 -3.6180 -3.6175 -2.2271 -2.1339 -2.0251 -1.9703 5.1729 5.1906 5.2688 5.3115 5.3273 5.4501 5.9046 6.1552 6.5473 6.5879 6.8765 6.9415 10.2114 10.2761 10.2832 10.3908 10.6319 10.8658 11.0741 11.3767 12.7826 12.7987 13.8054 13.8205 k = 0.3333 0.5774 0.0923 ( 2751 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5676 -4.5668 -4.4848 -4.4846 -3.7748 -3.7716 -3.6642 -3.6641 -3.6180 -3.6175 -2.2373 -2.1355 -2.0147 -1.9681 5.1687 5.1857 5.2748 5.3169 5.3507 5.4740 5.9110 6.1638 6.4953 6.5364 6.8622 6.9281 10.2201 10.3490 10.3530 10.4009 10.6580 10.8921 11.0347 11.3312 12.7856 12.7986 13.8773 13.8824 k = 0.3333 0.5774 0.1026 ( 2751 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5676 -4.5669 -4.4848 -4.4846 -3.7745 -3.7717 -3.6642 -3.6641 -3.6180 -3.6175 -2.2468 -2.1371 -2.0050 -1.9659 5.1644 5.1808 5.2810 5.3225 5.3762 5.5002 5.9173 6.1724 6.4417 6.4829 6.8475 6.9144 10.2297 10.4120 10.4235 10.4246 10.6847 10.9189 10.9958 11.2860 12.7879 12.7987 13.9084 13.9628 k = 0.3333 0.5774 0.1128 ( 2751 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5675 -4.5670 -4.4848 -4.4846 -3.7742 -3.7719 -3.6642 -3.6641 -3.6180 -3.6175 -2.2555 -2.1386 -1.9961 -1.9638 5.1603 5.1761 5.2872 5.3282 5.4037 5.5287 5.9235 6.1809 6.3874 6.4284 6.8330 6.9010 10.2400 10.4239 10.4963 10.4974 10.7114 10.9453 10.9590 11.2423 12.7896 12.7989 13.8876 14.0449 k = 0.3333 0.5774 0.1231 ( 2751 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5675 -4.5671 -4.4848 -4.4845 -3.7739 -3.7720 -3.6642 -3.6641 -3.6180 -3.6175 -2.2632 -2.1400 -1.9881 -1.9618 5.1563 5.1716 5.2932 5.3337 5.4326 5.5590 5.9293 6.1889 6.3335 6.3737 6.8190 6.8881 10.2509 10.4364 10.5662 10.5677 10.7372 10.9260 10.9703 11.2010 12.7907 12.7994 13.8268 14.1270 k = 0.3333 0.5774 0.1333 ( 2760 PWs) bands (ev): -57.4996 -57.4996 -30.4097 -30.4014 -21.8115 -21.7667 -21.7075 -21.6924 -4.5675 -4.5672 -4.4849 -4.4846 -3.7737 -3.7722 -3.6643 -3.6641 -3.6180 -3.6175 -2.2701 -2.1413 -1.9811 -1.9600 5.1527 5.1675 5.2989 5.3390 5.4625 5.5907 5.9346 6.1963 6.2809 6.3199 6.8059 6.8762 10.2621 10.4490 10.6304 10.6323 10.7615 10.8998 10.9929 11.1635 12.7914 12.8000 13.7534 14.1023 k = 0.3333 0.5774 0.1436 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6924 -4.5675 -4.5672 -4.4848 -4.4845 -3.7735 -3.7723 -3.6643 -3.6641 -3.6180 -3.6175 -2.2760 -2.1424 -1.9750 -1.9583 5.1494 5.1638 5.3040 5.3438 5.4924 5.6233 5.9393 6.2027 6.2311 6.2682 6.7941 6.8655 10.2732 10.4614 10.6788 10.6925 10.7839 10.8856 11.0113 11.1314 12.7917 12.8008 13.6808 14.0308 k = 0.3333 0.5774 0.1538 ( 2748 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8114 -21.7666 -21.7074 -21.6923 -4.5674 -4.5672 -4.4848 -4.4845 -3.7732 -3.7724 -3.6642 -3.6641 -3.6180 -3.6175 -2.2809 -2.1433 -1.9700 -1.9570 5.1467 5.1607 5.3085 5.3480 5.5214 5.6555 5.9433 6.1854 6.2061 6.2219 6.7839 6.8563 10.2837 10.4731 10.7059 10.7445 10.8040 10.8891 11.0230 11.1077 12.7919 12.8018 13.6152 13.9686 k = 0.3333 0.5774 0.1641 ( 2748 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8114 -21.7667 -21.7074 -21.6923 -4.5674 -4.5673 -4.4848 -4.4845 -3.7731 -3.7725 -3.6643 -3.6641 -3.6180 -3.6175 -2.2847 -2.1441 -1.9660 -1.9559 5.1445 5.1582 5.3122 5.3514 5.5477 5.6859 5.9465 6.1457 6.1746 6.2145 6.7757 6.8489 10.2931 10.4833 10.7126 10.7852 10.8224 10.9079 11.0248 11.0959 12.7918 12.8028 13.5603 13.9175 k = 0.3333 0.5774 0.1744 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6924 -4.5674 -4.5673 -4.4848 -4.4845 -3.7730 -3.7725 -3.6643 -3.6641 -3.6180 -3.6175 -2.2874 -2.1447 -1.9632 -1.9550 5.1428 5.1564 5.3149 5.3540 5.5693 5.7119 5.9488 6.1144 6.1396 6.2174 6.7697 6.8434 10.3005 10.4913 10.7092 10.8113 10.8403 10.9305 11.0187 11.0943 12.7917 12.8037 13.5189 13.8795 k = 0.3333 0.5774 0.1846 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6924 -4.5674 -4.5673 -4.4848 -4.4845 -3.7729 -3.7726 -3.6643 -3.6641 -3.6180 -3.6175 -2.2891 -2.1450 -1.9615 -1.9546 5.1418 5.1553 5.3165 5.3555 5.5837 5.7300 5.9502 6.0941 6.1158 6.2194 6.7660 6.8401 10.3053 10.4965 10.7045 10.8237 10.8550 10.9471 11.0120 11.0961 12.7916 12.8043 13.4932 13.8560 k = 0.3333 0.5774 0.1949 ( 2754 PWs) bands (ev): -57.4996 -57.4996 -30.4096 -30.4013 -21.8115 -21.7667 -21.7074 -21.6923 -4.5674 -4.5674 -4.4849 -4.4845 -3.7729 -3.7726 -3.6643 -3.6641 -3.6180 -3.6175 -2.2897 -2.1451 -1.9609 -1.9544 5.1415 5.1549 5.3171 5.3560 5.5888 5.7366 5.9507 6.0870 6.1073 6.2200 6.7647 6.8390 10.3070 10.4982 10.7026 10.8273 10.8606 10.9531 11.0093 11.0971 12.7916 12.8046 13.4845 13.8480 Writing output data file TaInS2.save init_run : 2.77s CPU 13.98s WALL ( 1 calls) electrons : 408.60s CPU 414.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 408.59s CPU 413.75s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.88s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.55s WALL ( 1 calls) newd : 0.44s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 366 calls) cegterg : 378.58s CPU 381.33s WALL ( 540 calls) Called by sum_band: Called by *egterg: h_psi : 170.81s CPU 176.36s WALL ( 8674 calls) s_psi : 22.57s CPU 22.89s WALL ( 8674 calls) g_psi : 0.31s CPU 0.36s WALL ( 7768 calls) cdiaghg : 136.29s CPU 134.74s WALL ( 8134 calls) cegterg:over : 36.01s CPU 33.61s WALL ( 7768 calls) cegterg:upda : 4.04s CPU 6.21s WALL ( 7768 calls) cegterg:last : 4.17s CPU 4.79s WALL ( 1712 calls) Called by h_psi: h_psi:vloc : 128.82s CPU 132.97s WALL ( 8674 calls) h_psi:vnl : 41.90s CPU 43.06s WALL ( 8674 calls) add_vuspsi : 13.47s CPU 16.70s WALL ( 8674 calls) General routines calbec : 28.40s CPU 26.30s WALL ( 8674 calls) fft : 0.27s CPU 1.48s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 124.07s CPU 127.06s WALL ( 986068 calls) interpolate : 0.03s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 0.78s WALL ( 732 calls) Parallel routines fft_scatter : 88.36s CPU 85.67s WALL ( 986091 calls) PWSCF : 7m37.58s CPU 8m54.11s WALL This run was terminated on: 15:28:15 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=