Program PWSCF v.5.1.1 starts on 9Oct2015 at 15:43: 9 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 9 3 847 451 73 Max 16 10 4 859 474 81 Sum 721 475 151 40849 22059 3741 bravais-lattice index = 14 lattice parameter (alat) = 6.2550 a.u. unit-cell volume = 558.9814 (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)= 6.254993 celldm(2)= 1.000000 celldm(3)= 2.637462 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 2.637462 ) 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 0.379152 ) 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= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0027397 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0027397 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0027397 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0027397 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0027397 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0027397 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0027397 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0027397 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0027397 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0027397 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0027397 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0027397 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0027397 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0027397 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0027397 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0027397 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0027397 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0027397 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0027397 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0027397 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0027397 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0027397 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0027397 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0027397 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0027397 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0027397 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0027397 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0027397 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0027397 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0027397 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0027397 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0027397 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0027397 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0027397 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0027397 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0027397 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0027397 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0027397 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0027397 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0027397 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0027397 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0027397 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0027397 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0027397 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0027397 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0027397 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0027397 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0027397 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0027397 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0027397 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0027397 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0027397 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0027397 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0027397 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027397 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027397 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0027397 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0027397 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0027397 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0027397 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0027397 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0027397 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0027397 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027397 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0027397 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0027397 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0027397 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0027397 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0027397 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0027397 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0027397 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027397 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0027397 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0027397 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0027397 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0027397 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0027397 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0027397 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0027397 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027397 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0027397 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0027397 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0027397 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0027397 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0027397 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0027397 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0027397 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027397 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027397 k( 91) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0027397 k( 92) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0027397 k( 93) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0027397 k( 94) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0027397 k( 95) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0027397 k( 96) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0027397 k( 97) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0027397 k( 98) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0027397 k( 99) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0027397 k( 100) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0027397 k( 101) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0027397 k( 102) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0027397 k( 103) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0027397 k( 104) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0027397 k( 105) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0027397 k( 106) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0027397 k( 107) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0027397 k( 108) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0027397 k( 109) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0027397 k( 110) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0027397 k( 111) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0027397 k( 112) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0027397 k( 113) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0027397 k( 114) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0027397 k( 115) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0027397 k( 116) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0027397 k( 117) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0027397 k( 118) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0027397 k( 119) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0027397 k( 120) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0027397 k( 121) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0027397 k( 122) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027397 k( 123) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0027397 k( 124) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0027397 k( 125) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0027397 k( 126) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0027397 k( 127) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0027397 k( 128) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0027397 k( 129) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0027397 k( 130) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0027397 k( 131) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0027397 k( 132) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0027397 k( 133) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0027397 k( 134) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0027397 k( 135) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0027397 k( 136) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0027397 k( 137) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0027397 k( 138) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0027397 k( 139) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0027397 k( 140) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0027397 k( 141) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0027397 k( 142) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0027397 k( 143) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0027397 k( 144) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0027397 k( 145) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0027397 k( 146) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0027397 k( 147) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0027397 k( 148) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0027397 k( 149) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0027397 k( 150) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0027397 k( 151) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0027397 k( 152) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0027397 k( 153) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0027397 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 156) = ( 0.0000000 0.0000000 0.0105320), wk = 0.0027397 k( 157) = ( 0.0000000 0.0000000 0.0210640), wk = 0.0027397 k( 158) = ( 0.0000000 0.0000000 0.0315960), wk = 0.0027397 k( 159) = ( 0.0000000 0.0000000 0.0421280), wk = 0.0027397 k( 160) = ( 0.0000000 0.0000000 0.0526600), wk = 0.0027397 k( 161) = ( 0.0000000 0.0000000 0.0631921), wk = 0.0027397 k( 162) = ( 0.0000000 0.0000000 0.0737241), wk = 0.0027397 k( 163) = ( 0.0000000 0.0000000 0.0842561), wk = 0.0027397 k( 164) = ( 0.0000000 0.0000000 0.0947881), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.1053201), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.1158521), wk = 0.0027397 k( 167) = ( 0.0000000 0.0000000 0.1263841), wk = 0.0027397 k( 168) = ( 0.0000000 0.0000000 0.1369161), wk = 0.0027397 k( 169) = ( 0.0000000 0.0000000 0.1474481), wk = 0.0027397 k( 170) = ( 0.0000000 0.0000000 0.1579801), wk = 0.0027397 k( 171) = ( 0.0000000 0.0000000 0.1685122), wk = 0.0027397 k( 172) = ( 0.0000000 0.0000000 0.1790442), wk = 0.0027397 k( 173) = ( 0.0000000 0.0000000 0.1895762), wk = 0.0027397 k( 174) = ( 0.0000000 0.0000000 0.1895762), wk = 0.0027397 k( 175) = ( 0.0090909 0.0052486 0.1895762), wk = 0.0027397 k( 176) = ( 0.0181818 0.0104973 0.1895762), wk = 0.0027397 k( 177) = ( 0.0272727 0.0157459 0.1895762), wk = 0.0027397 k( 178) = ( 0.0363636 0.0209946 0.1895762), wk = 0.0027397 k( 179) = ( 0.0454546 0.0262432 0.1895762), wk = 0.0027397 k( 180) = ( 0.0545455 0.0314918 0.1895762), wk = 0.0027397 k( 181) = ( 0.0636364 0.0367405 0.1895762), wk = 0.0027397 k( 182) = ( 0.0727273 0.0419891 0.1895762), wk = 0.0027397 k( 183) = ( 0.0818182 0.0472377 0.1895762), wk = 0.0027397 k( 184) = ( 0.0909091 0.0524864 0.1895762), wk = 0.0027397 k( 185) = ( 0.1000000 0.0577350 0.1895762), wk = 0.0027397 k( 186) = ( 0.1090909 0.0629837 0.1895762), wk = 0.0027397 k( 187) = ( 0.1181818 0.0682323 0.1895762), wk = 0.0027397 k( 188) = ( 0.1272727 0.0734809 0.1895762), wk = 0.0027397 k( 189) = ( 0.1363636 0.0787296 0.1895762), wk = 0.0027397 k( 190) = ( 0.1454545 0.0839782 0.1895762), wk = 0.0027397 k( 191) = ( 0.1545455 0.0892269 0.1895762), wk = 0.0027397 k( 192) = ( 0.1636364 0.0944755 0.1895762), wk = 0.0027397 k( 193) = ( 0.1727273 0.0997241 0.1895762), wk = 0.0027397 k( 194) = ( 0.1818182 0.1049728 0.1895762), wk = 0.0027397 k( 195) = ( 0.1909091 0.1102214 0.1895762), wk = 0.0027397 k( 196) = ( 0.2000000 0.1154701 0.1895762), wk = 0.0027397 k( 197) = ( 0.2090909 0.1207187 0.1895762), wk = 0.0027397 k( 198) = ( 0.2181818 0.1259673 0.1895762), wk = 0.0027397 k( 199) = ( 0.2272727 0.1312160 0.1895762), wk = 0.0027397 k( 200) = ( 0.2363636 0.1364646 0.1895762), wk = 0.0027397 k( 201) = ( 0.2454545 0.1417133 0.1895762), wk = 0.0027397 k( 202) = ( 0.2545455 0.1469619 0.1895762), wk = 0.0027397 k( 203) = ( 0.2636364 0.1522105 0.1895762), wk = 0.0027397 k( 204) = ( 0.2727273 0.1574592 0.1895762), wk = 0.0027397 k( 205) = ( 0.2818182 0.1627078 0.1895762), wk = 0.0027397 k( 206) = ( 0.2909091 0.1679564 0.1895762), wk = 0.0027397 k( 207) = ( 0.3000000 0.1732051 0.1895762), wk = 0.0027397 k( 208) = ( 0.3090909 0.1784537 0.1895762), wk = 0.0027397 k( 209) = ( 0.3181818 0.1837024 0.1895762), wk = 0.0027397 k( 210) = ( 0.3272727 0.1889510 0.1895762), wk = 0.0027397 k( 211) = ( 0.3363636 0.1941996 0.1895762), wk = 0.0027397 k( 212) = ( 0.3454546 0.1994483 0.1895762), wk = 0.0027397 k( 213) = ( 0.3545454 0.2046969 0.1895762), wk = 0.0027397 k( 214) = ( 0.3636364 0.2099456 0.1895762), wk = 0.0027397 k( 215) = ( 0.3727273 0.2151942 0.1895762), wk = 0.0027397 k( 216) = ( 0.3818182 0.2204428 0.1895762), wk = 0.0027397 k( 217) = ( 0.3909091 0.2256915 0.1895762), wk = 0.0027397 k( 218) = ( 0.4000000 0.2309401 0.1895762), wk = 0.0027397 k( 219) = ( 0.4090909 0.2361887 0.1895762), wk = 0.0027397 k( 220) = ( 0.4181818 0.2414374 0.1895762), wk = 0.0027397 k( 221) = ( 0.4272727 0.2466860 0.1895762), wk = 0.0027397 k( 222) = ( 0.4363636 0.2519347 0.1895762), wk = 0.0027397 k( 223) = ( 0.4454546 0.2571833 0.1895762), wk = 0.0027397 k( 224) = ( 0.4545455 0.2624319 0.1895762), wk = 0.0027397 k( 225) = ( 0.4636364 0.2676806 0.1895762), wk = 0.0027397 k( 226) = ( 0.4727273 0.2729292 0.1895762), wk = 0.0027397 k( 227) = ( 0.4818182 0.2781779 0.1895762), wk = 0.0027397 k( 228) = ( 0.4909091 0.2834265 0.1895762), wk = 0.0027397 k( 229) = ( 0.5000000 0.2886751 0.1895762), wk = 0.0027397 k( 230) = ( 0.5000000 0.2886751 0.1895762), wk = 0.0027397 k( 231) = ( 0.4947917 0.2976962 0.1895762), wk = 0.0027397 k( 232) = ( 0.4895833 0.3067173 0.1895762), wk = 0.0027397 k( 233) = ( 0.4843750 0.3157384 0.1895762), wk = 0.0027397 k( 234) = ( 0.4791667 0.3247595 0.1895762), wk = 0.0027397 k( 235) = ( 0.4739583 0.3337806 0.1895762), wk = 0.0027397 k( 236) = ( 0.4687500 0.3428017 0.1895762), wk = 0.0027397 k( 237) = ( 0.4635417 0.3518228 0.1895762), wk = 0.0027397 k( 238) = ( 0.4583333 0.3608439 0.1895762), wk = 0.0027397 k( 239) = ( 0.4531250 0.3698650 0.1895762), wk = 0.0027397 k( 240) = ( 0.4479167 0.3788861 0.1895762), wk = 0.0027397 k( 241) = ( 0.4427083 0.3879072 0.1895762), wk = 0.0027397 k( 242) = ( 0.4375000 0.3969283 0.1895762), wk = 0.0027397 k( 243) = ( 0.4322917 0.4059494 0.1895762), wk = 0.0027397 k( 244) = ( 0.4270833 0.4149705 0.1895762), wk = 0.0027397 k( 245) = ( 0.4218750 0.4239916 0.1895762), wk = 0.0027397 k( 246) = ( 0.4166667 0.4330127 0.1895762), wk = 0.0027397 k( 247) = ( 0.4114583 0.4420338 0.1895762), wk = 0.0027397 k( 248) = ( 0.4062500 0.4510549 0.1895762), wk = 0.0027397 k( 249) = ( 0.4010417 0.4600760 0.1895762), wk = 0.0027397 k( 250) = ( 0.3958333 0.4690971 0.1895762), wk = 0.0027397 k( 251) = ( 0.3906250 0.4781182 0.1895762), wk = 0.0027397 k( 252) = ( 0.3854167 0.4871393 0.1895762), wk = 0.0027397 k( 253) = ( 0.3802083 0.4961604 0.1895762), wk = 0.0027397 k( 254) = ( 0.3750000 0.5051815 0.1895762), wk = 0.0027397 k( 255) = ( 0.3697917 0.5142026 0.1895762), wk = 0.0027397 k( 256) = ( 0.3645833 0.5232237 0.1895762), wk = 0.0027397 k( 257) = ( 0.3593750 0.5322448 0.1895762), wk = 0.0027397 k( 258) = ( 0.3541667 0.5412659 0.1895762), wk = 0.0027397 k( 259) = ( 0.3489583 0.5502870 0.1895762), wk = 0.0027397 k( 260) = ( 0.3437500 0.5593081 0.1895762), wk = 0.0027397 k( 261) = ( 0.3385417 0.5683292 0.1895762), wk = 0.0027397 k( 262) = ( 0.3333333 0.5773503 0.1895762), wk = 0.0027397 k( 263) = ( 0.3333333 0.5773503 0.1895762), wk = 0.0027397 k( 264) = ( 0.3281250 0.5683292 0.1895762), wk = 0.0027397 k( 265) = ( 0.3229167 0.5593081 0.1895762), wk = 0.0027397 k( 266) = ( 0.3177083 0.5502870 0.1895762), wk = 0.0027397 k( 267) = ( 0.3125000 0.5412659 0.1895762), wk = 0.0027397 k( 268) = ( 0.3072917 0.5322448 0.1895762), wk = 0.0027397 k( 269) = ( 0.3020833 0.5232237 0.1895762), wk = 0.0027397 k( 270) = ( 0.2968750 0.5142026 0.1895762), wk = 0.0027397 k( 271) = ( 0.2916667 0.5051815 0.1895762), wk = 0.0027397 k( 272) = ( 0.2864583 0.4961604 0.1895762), wk = 0.0027397 k( 273) = ( 0.2812500 0.4871393 0.1895762), wk = 0.0027397 k( 274) = ( 0.2760417 0.4781182 0.1895762), wk = 0.0027397 k( 275) = ( 0.2708333 0.4690971 0.1895762), wk = 0.0027397 k( 276) = ( 0.2656250 0.4600760 0.1895762), wk = 0.0027397 k( 277) = ( 0.2604167 0.4510549 0.1895762), wk = 0.0027397 k( 278) = ( 0.2552083 0.4420338 0.1895762), wk = 0.0027397 k( 279) = ( 0.2500000 0.4330127 0.1895762), wk = 0.0027397 k( 280) = ( 0.2447917 0.4239916 0.1895762), wk = 0.0027397 k( 281) = ( 0.2395833 0.4149705 0.1895762), wk = 0.0027397 k( 282) = ( 0.2343750 0.4059494 0.1895762), wk = 0.0027397 k( 283) = ( 0.2291667 0.3969283 0.1895762), wk = 0.0027397 k( 284) = ( 0.2239583 0.3879072 0.1895762), wk = 0.0027397 k( 285) = ( 0.2187500 0.3788861 0.1895762), wk = 0.0027397 k( 286) = ( 0.2135417 0.3698650 0.1895762), wk = 0.0027397 k( 287) = ( 0.2083333 0.3608439 0.1895762), wk = 0.0027397 k( 288) = ( 0.2031250 0.3518228 0.1895762), wk = 0.0027397 k( 289) = ( 0.1979167 0.3428017 0.1895762), wk = 0.0027397 k( 290) = ( 0.1927083 0.3337806 0.1895762), wk = 0.0027397 k( 291) = ( 0.1875000 0.3247595 0.1895762), wk = 0.0027397 k( 292) = ( 0.1822917 0.3157384 0.1895762), wk = 0.0027397 k( 293) = ( 0.1770833 0.3067173 0.1895762), wk = 0.0027397 k( 294) = ( 0.1718750 0.2976962 0.1895762), wk = 0.0027397 k( 295) = ( 0.1666667 0.2886751 0.1895762), wk = 0.0027397 k( 296) = ( 0.1614583 0.2796540 0.1895762), wk = 0.0027397 k( 297) = ( 0.1562500 0.2706329 0.1895762), wk = 0.0027397 k( 298) = ( 0.1510417 0.2616118 0.1895762), wk = 0.0027397 k( 299) = ( 0.1458333 0.2525907 0.1895762), wk = 0.0027397 k( 300) = ( 0.1406250 0.2435696 0.1895762), wk = 0.0027397 k( 301) = ( 0.1354167 0.2345486 0.1895762), wk = 0.0027397 k( 302) = ( 0.1302083 0.2255274 0.1895762), wk = 0.0027397 k( 303) = ( 0.1250000 0.2165064 0.1895762), wk = 0.0027397 k( 304) = ( 0.1197917 0.2074853 0.1895762), wk = 0.0027397 k( 305) = ( 0.1145833 0.1984641 0.1895762), wk = 0.0027397 k( 306) = ( 0.1093750 0.1894431 0.1895762), wk = 0.0027397 k( 307) = ( 0.1041667 0.1804220 0.1895762), wk = 0.0027397 k( 308) = ( 0.0989583 0.1714009 0.1895762), wk = 0.0027397 k( 309) = ( 0.0937500 0.1623798 0.1895762), wk = 0.0027397 k( 310) = ( 0.0885417 0.1533587 0.1895762), wk = 0.0027397 k( 311) = ( 0.0833333 0.1443376 0.1895762), wk = 0.0027397 k( 312) = ( 0.0781250 0.1353165 0.1895762), wk = 0.0027397 k( 313) = ( 0.0729167 0.1262954 0.1895762), wk = 0.0027397 k( 314) = ( 0.0677083 0.1172743 0.1895762), wk = 0.0027397 k( 315) = ( 0.0625000 0.1082532 0.1895762), wk = 0.0027397 k( 316) = ( 0.0572917 0.0992321 0.1895762), wk = 0.0027397 k( 317) = ( 0.0520833 0.0902110 0.1895762), wk = 0.0027397 k( 318) = ( 0.0468750 0.0811899 0.1895762), wk = 0.0027397 k( 319) = ( 0.0416667 0.0721688 0.1895762), wk = 0.0027397 k( 320) = ( 0.0364583 0.0631477 0.1895762), wk = 0.0027397 k( 321) = ( 0.0312500 0.0541266 0.1895762), wk = 0.0027397 k( 322) = ( 0.0260417 0.0451055 0.1895762), wk = 0.0027397 k( 323) = ( 0.0208333 0.0360844 0.1895762), wk = 0.0027397 k( 324) = ( 0.0156250 0.0270633 0.1895762), wk = 0.0027397 k( 325) = ( 0.0104167 0.0180422 0.1895762), wk = 0.0027397 k( 326) = ( 0.0052083 0.0090211 0.1895762), wk = 0.0027397 k( 327) = ( 0.0000000 0.0000000 0.1895762), wk = 0.0027397 k( 328) = ( 0.5000000 0.2886751 0.1895762), wk = 0.0027397 k( 329) = ( 0.5000000 0.2886751 0.1790442), wk = 0.0027397 k( 330) = ( 0.5000000 0.2886751 0.1685122), wk = 0.0027397 k( 331) = ( 0.5000000 0.2886751 0.1579801), wk = 0.0027397 k( 332) = ( 0.5000000 0.2886751 0.1474481), wk = 0.0027397 k( 333) = ( 0.5000000 0.2886751 0.1369161), wk = 0.0027397 k( 334) = ( 0.5000000 0.2886751 0.1263841), wk = 0.0027397 k( 335) = ( 0.5000000 0.2886751 0.1158521), wk = 0.0027397 k( 336) = ( 0.5000000 0.2886751 0.1053201), wk = 0.0027397 k( 337) = ( 0.5000000 0.2886751 0.0947881), wk = 0.0027397 k( 338) = ( 0.5000000 0.2886751 0.0842561), wk = 0.0027397 k( 339) = ( 0.5000000 0.2886751 0.0737241), wk = 0.0027397 k( 340) = ( 0.5000000 0.2886751 0.0631921), wk = 0.0027397 k( 341) = ( 0.5000000 0.2886751 0.0526600), wk = 0.0027397 k( 342) = ( 0.5000000 0.2886751 0.0421280), wk = 0.0027397 k( 343) = ( 0.5000000 0.2886751 0.0315960), wk = 0.0027397 k( 344) = ( 0.5000000 0.2886751 0.0210640), wk = 0.0027397 k( 345) = ( 0.5000000 0.2886751 0.0105320), wk = 0.0027397 k( 346) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027397 k( 347) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027397 k( 348) = ( 0.3333333 0.5773503 0.0105320), wk = 0.0027397 k( 349) = ( 0.3333333 0.5773503 0.0210640), wk = 0.0027397 k( 350) = ( 0.3333333 0.5773503 0.0315960), wk = 0.0027397 k( 351) = ( 0.3333333 0.5773503 0.0421280), wk = 0.0027397 k( 352) = ( 0.3333333 0.5773503 0.0526600), wk = 0.0027397 k( 353) = ( 0.3333333 0.5773503 0.0631921), wk = 0.0027397 k( 354) = ( 0.3333333 0.5773503 0.0737241), wk = 0.0027397 k( 355) = ( 0.3333333 0.5773503 0.0842561), wk = 0.0027397 k( 356) = ( 0.3333333 0.5773503 0.0947881), wk = 0.0027397 k( 357) = ( 0.3333333 0.5773503 0.1053201), wk = 0.0027397 k( 358) = ( 0.3333333 0.5773503 0.1158521), wk = 0.0027397 k( 359) = ( 0.3333333 0.5773503 0.1263841), wk = 0.0027397 k( 360) = ( 0.3333333 0.5773503 0.1369161), wk = 0.0027397 k( 361) = ( 0.3333333 0.5773503 0.1474481), wk = 0.0027397 k( 362) = ( 0.3333333 0.5773503 0.1579801), wk = 0.0027397 k( 363) = ( 0.3333333 0.5773503 0.1685122), wk = 0.0027397 k( 364) = ( 0.3333333 0.5773503 0.1790442), wk = 0.0027397 k( 365) = ( 0.3333333 0.5773503 0.1895762), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0090909 0.0000000 0.0000000), wk = 0.0027397 k( 3) = ( 0.0181818 0.0000000 0.0000000), wk = 0.0027397 k( 4) = ( 0.0272727 0.0000000 0.0000000), wk = 0.0027397 k( 5) = ( 0.0363636 0.0000000 0.0000000), wk = 0.0027397 k( 6) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0027397 k( 7) = ( 0.0545455 0.0000000 0.0000000), wk = 0.0027397 k( 8) = ( 0.0636364 0.0000000 0.0000000), wk = 0.0027397 k( 9) = ( 0.0727273 0.0000000 0.0000000), wk = 0.0027397 k( 10) = ( 0.0818182 0.0000000 0.0000000), wk = 0.0027397 k( 11) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0027397 k( 12) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0027397 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0027397 k( 14) = ( 0.1181818 0.0000000 0.0000000), wk = 0.0027397 k( 15) = ( 0.1272727 0.0000000 0.0000000), wk = 0.0027397 k( 16) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0027397 k( 17) = ( 0.1454545 0.0000000 0.0000000), wk = 0.0027397 k( 18) = ( 0.1545455 0.0000000 0.0000000), wk = 0.0027397 k( 19) = ( 0.1636364 0.0000000 0.0000000), wk = 0.0027397 k( 20) = ( 0.1727273 0.0000000 0.0000000), wk = 0.0027397 k( 21) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0027397 k( 22) = ( 0.1909091 0.0000000 0.0000000), wk = 0.0027397 k( 23) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0027397 k( 24) = ( 0.2090909 0.0000000 0.0000000), wk = 0.0027397 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0027397 k( 26) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0027397 k( 27) = ( 0.2363636 0.0000000 0.0000000), wk = 0.0027397 k( 28) = ( 0.2454545 0.0000000 0.0000000), wk = 0.0027397 k( 29) = ( 0.2545455 0.0000000 0.0000000), wk = 0.0027397 k( 30) = ( 0.2636364 0.0000000 0.0000000), wk = 0.0027397 k( 31) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0027397 k( 32) = ( 0.2818182 0.0000000 0.0000000), wk = 0.0027397 k( 33) = ( 0.2909091 0.0000000 0.0000000), wk = 0.0027397 k( 34) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0027397 k( 35) = ( 0.3090909 0.0000000 0.0000000), wk = 0.0027397 k( 36) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0027397 k( 37) = ( 0.3272727 0.0000000 -0.0000000), wk = 0.0027397 k( 38) = ( 0.3363636 0.0000000 0.0000000), wk = 0.0027397 k( 39) = ( 0.3454546 0.0000000 0.0000000), wk = 0.0027397 k( 40) = ( 0.3545454 0.0000000 0.0000000), wk = 0.0027397 k( 41) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0027397 k( 42) = ( 0.3727273 0.0000000 0.0000000), wk = 0.0027397 k( 43) = ( 0.3818182 0.0000000 0.0000000), wk = 0.0027397 k( 44) = ( 0.3909091 0.0000000 0.0000000), wk = 0.0027397 k( 45) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0027397 k( 46) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0027397 k( 47) = ( 0.4181818 0.0000000 0.0000000), wk = 0.0027397 k( 48) = ( 0.4272727 0.0000000 0.0000000), wk = 0.0027397 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0027397 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0027397 k( 51) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0027397 k( 52) = ( 0.4636364 0.0000000 0.0000000), wk = 0.0027397 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0027397 k( 54) = ( 0.4818182 0.0000000 0.0000000), wk = 0.0027397 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0027397 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 58) = ( 0.4947917 0.0104167 0.0000000), wk = 0.0027397 k( 59) = ( 0.4895833 0.0208333 0.0000000), wk = 0.0027397 k( 60) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0027397 k( 61) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0027397 k( 62) = ( 0.4739583 0.0520833 0.0000000), wk = 0.0027397 k( 63) = ( 0.4687500 0.0625000 0.0000000), wk = 0.0027397 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0027397 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027397 k( 66) = ( 0.4531250 0.0937500 -0.0000000), wk = 0.0027397 k( 67) = ( 0.4479167 0.1041667 0.0000000), wk = 0.0027397 k( 68) = ( 0.4427083 0.1145833 0.0000000), wk = 0.0027397 k( 69) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0027397 k( 70) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0027397 k( 71) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0027397 k( 72) = ( 0.4218750 0.1562500 -0.0000000), wk = 0.0027397 k( 73) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027397 k( 74) = ( 0.4114583 0.1770833 0.0000000), wk = 0.0027397 k( 75) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0027397 k( 76) = ( 0.4010417 0.1979167 0.0000000), wk = 0.0027397 k( 77) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0027397 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0027397 k( 79) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0027397 k( 80) = ( 0.3802083 0.2395833 -0.0000000), wk = 0.0027397 k( 81) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0027397 k( 82) = ( 0.3697917 0.2604167 -0.0000000), wk = 0.0027397 k( 83) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0027397 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0027397 k( 85) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0027397 k( 86) = ( 0.3489583 0.3020833 0.0000000), wk = 0.0027397 k( 87) = ( 0.3437500 0.3125000 -0.0000000), wk = 0.0027397 k( 88) = ( 0.3385417 0.3229167 -0.0000000), wk = 0.0027397 k( 89) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027397 k( 90) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027397 k( 91) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0027397 k( 92) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0027397 k( 93) = ( 0.3177083 0.3177083 0.0000000), wk = 0.0027397 k( 94) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0027397 k( 95) = ( 0.3072917 0.3072917 0.0000000), wk = 0.0027397 k( 96) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0027397 k( 97) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0027397 k( 98) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0027397 k( 99) = ( 0.2864583 0.2864583 0.0000000), wk = 0.0027397 k( 100) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0027397 k( 101) = ( 0.2760417 0.2760417 0.0000000), wk = 0.0027397 k( 102) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0027397 k( 103) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0027397 k( 104) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0027397 k( 105) = ( 0.2552083 0.2552083 0.0000000), wk = 0.0027397 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027397 k( 107) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0027397 k( 108) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0027397 k( 109) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0027397 k( 110) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0027397 k( 111) = ( 0.2239583 0.2239583 0.0000000), wk = 0.0027397 k( 112) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0027397 k( 113) = ( 0.2135417 0.2135417 0.0000000), wk = 0.0027397 k( 114) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0027397 k( 115) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0027397 k( 116) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0027397 k( 117) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0027397 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027397 k( 119) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0027397 k( 120) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0027397 k( 121) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0027397 k( 122) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027397 k( 123) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0027397 k( 124) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0027397 k( 125) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0027397 k( 126) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0027397 k( 127) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0027397 k( 128) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0027397 k( 129) = ( 0.1302083 0.1302083 -0.0000000), wk = 0.0027397 k( 130) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0027397 k( 131) = ( 0.1197917 0.1197917 0.0000000), wk = 0.0027397 k( 132) = ( 0.1145833 0.1145833 0.0000000), wk = 0.0027397 k( 133) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0027397 k( 134) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0027397 k( 135) = ( 0.0989583 0.0989583 -0.0000000), wk = 0.0027397 k( 136) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0027397 k( 137) = ( 0.0885417 0.0885417 0.0000000), wk = 0.0027397 k( 138) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0027397 k( 139) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0027397 k( 140) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0027397 k( 141) = ( 0.0677083 0.0677083 -0.0000000), wk = 0.0027397 k( 142) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0027397 k( 143) = ( 0.0572917 0.0572917 0.0000000), wk = 0.0027397 k( 144) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0027397 k( 145) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0027397 k( 146) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0027397 k( 147) = ( 0.0364583 0.0364583 0.0000000), wk = 0.0027397 k( 148) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0027397 k( 149) = ( 0.0260417 0.0260417 0.0000000), wk = 0.0027397 k( 150) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0027397 k( 151) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0027397 k( 152) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0027397 k( 153) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0027397 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 156) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027397 k( 157) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027397 k( 158) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027397 k( 159) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027397 k( 160) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027397 k( 161) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027397 k( 162) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027397 k( 163) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027397 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027397 k( 167) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027397 k( 168) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027397 k( 169) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027397 k( 170) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027397 k( 171) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027397 k( 172) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027397 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 175) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0027397 k( 176) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0027397 k( 177) = ( 0.0272727 0.0000000 0.5000000), wk = 0.0027397 k( 178) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0027397 k( 179) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0027397 k( 180) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0027397 k( 181) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0027397 k( 182) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0027397 k( 183) = ( 0.0818182 0.0000000 0.5000000), wk = 0.0027397 k( 184) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0027397 k( 185) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0027397 k( 186) = ( 0.1090909 0.0000000 0.5000000), wk = 0.0027397 k( 187) = ( 0.1181818 0.0000000 0.5000000), wk = 0.0027397 k( 188) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0027397 k( 189) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0027397 k( 190) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0027397 k( 191) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0027397 k( 192) = ( 0.1636364 0.0000000 0.5000000), wk = 0.0027397 k( 193) = ( 0.1727273 0.0000000 0.5000000), wk = 0.0027397 k( 194) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0027397 k( 195) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0027397 k( 196) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0027397 k( 197) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0027397 k( 198) = ( 0.2181818 0.0000000 0.5000000), wk = 0.0027397 k( 199) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0027397 k( 200) = ( 0.2363636 0.0000000 0.5000000), wk = 0.0027397 k( 201) = ( 0.2454545 0.0000000 0.5000000), wk = 0.0027397 k( 202) = ( 0.2545455 0.0000000 0.5000000), wk = 0.0027397 k( 203) = ( 0.2636364 0.0000000 0.5000000), wk = 0.0027397 k( 204) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0027397 k( 205) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0027397 k( 206) = ( 0.2909091 0.0000000 0.5000000), wk = 0.0027397 k( 207) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0027397 k( 208) = ( 0.3090909 0.0000000 0.5000000), wk = 0.0027397 k( 209) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0027397 k( 210) = ( 0.3272727 0.0000000 0.5000000), wk = 0.0027397 k( 211) = ( 0.3363636 0.0000000 0.5000000), wk = 0.0027397 k( 212) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0027397 k( 213) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0027397 k( 214) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0027397 k( 215) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0027397 k( 216) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0027397 k( 217) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0027397 k( 218) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0027397 k( 219) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0027397 k( 220) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0027397 k( 221) = ( 0.4272727 0.0000000 0.5000000), wk = 0.0027397 k( 222) = ( 0.4363636 0.0000000 0.5000000), wk = 0.0027397 k( 223) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0027397 k( 224) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0027397 k( 225) = ( 0.4636364 0.0000000 0.5000000), wk = 0.0027397 k( 226) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0027397 k( 227) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0027397 k( 228) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0027397 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 231) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0027397 k( 232) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0027397 k( 233) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0027397 k( 234) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0027397 k( 235) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0027397 k( 236) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0027397 k( 237) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0027397 k( 238) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027397 k( 239) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0027397 k( 240) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0027397 k( 241) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0027397 k( 242) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0027397 k( 243) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0027397 k( 244) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0027397 k( 245) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0027397 k( 246) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027397 k( 247) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0027397 k( 248) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0027397 k( 249) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0027397 k( 250) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0027397 k( 251) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0027397 k( 252) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0027397 k( 253) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0027397 k( 254) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027397 k( 255) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0027397 k( 256) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0027397 k( 257) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0027397 k( 258) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0027397 k( 259) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0027397 k( 260) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0027397 k( 261) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0027397 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027397 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027397 k( 264) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0027397 k( 265) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0027397 k( 266) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0027397 k( 267) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0027397 k( 268) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0027397 k( 269) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0027397 k( 270) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0027397 k( 271) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0027397 k( 272) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0027397 k( 273) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0027397 k( 274) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0027397 k( 275) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0027397 k( 276) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0027397 k( 277) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0027397 k( 278) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0027397 k( 279) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027397 k( 280) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0027397 k( 281) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0027397 k( 282) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0027397 k( 283) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0027397 k( 284) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0027397 k( 285) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0027397 k( 286) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0027397 k( 287) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0027397 k( 288) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0027397 k( 289) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0027397 k( 290) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0027397 k( 291) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0027397 k( 292) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0027397 k( 293) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0027397 k( 294) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0027397 k( 295) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027397 k( 296) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0027397 k( 297) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0027397 k( 298) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0027397 k( 299) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0027397 k( 300) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0027397 k( 301) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0027397 k( 302) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0027397 k( 303) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027397 k( 304) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0027397 k( 305) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0027397 k( 306) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0027397 k( 307) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0027397 k( 308) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0027397 k( 309) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0027397 k( 310) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0027397 k( 311) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0027397 k( 312) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0027397 k( 313) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0027397 k( 314) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0027397 k( 315) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0027397 k( 316) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0027397 k( 317) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0027397 k( 318) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0027397 k( 319) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0027397 k( 320) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0027397 k( 321) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0027397 k( 322) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0027397 k( 323) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0027397 k( 324) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0027397 k( 325) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0027397 k( 326) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0027397 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 329) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0027397 k( 330) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0027397 k( 331) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0027397 k( 332) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0027397 k( 333) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0027397 k( 334) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027397 k( 335) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0027397 k( 336) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0027397 k( 337) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027397 k( 338) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0027397 k( 339) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0027397 k( 340) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027397 k( 341) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0027397 k( 342) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0027397 k( 343) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0027397 k( 344) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0027397 k( 345) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0027397 k( 346) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 347) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027397 k( 348) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0027397 k( 349) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0027397 k( 350) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0027397 k( 351) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0027397 k( 352) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0027397 k( 353) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027397 k( 354) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0027397 k( 355) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0027397 k( 356) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027397 k( 357) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0027397 k( 358) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0027397 k( 359) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027397 k( 360) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0027397 k( 361) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0027397 k( 362) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0027397 k( 363) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0027397 k( 364) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0027397 k( 365) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027397 Dense grid: 40849 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 22059 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 46) NL pseudopotentials 0.12 Mb ( 60, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 855) G-vector shells 0.00 Mb ( 413) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 120, 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 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.2 secs Computing kpt #: 3 total cpu time spent up to now is 46.2 secs Computing kpt #: 4 total cpu time spent up to now is 47.2 secs Computing kpt #: 5 total cpu time spent up to now is 48.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.1 secs Computing kpt #: 7 total cpu time spent up to now is 50.1 secs Computing kpt #: 8 total cpu time spent up to now is 51.0 secs Computing kpt #: 9 total cpu time spent up to now is 52.0 secs Computing kpt #: 10 total cpu time spent up to now is 53.0 secs Computing kpt #: 11 total cpu time spent up to now is 54.2 secs Computing kpt #: 12 total cpu time spent up to now is 55.3 secs Computing kpt #: 13 total cpu time spent up to now is 56.2 secs Computing kpt #: 14 total cpu time 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is 88.8 secs Computing kpt #: 46 total cpu time spent up to now is 90.0 secs Computing kpt #: 47 total cpu time spent up to now is 91.2 secs Computing kpt #: 48 total cpu time spent up to now is 92.3 secs Computing kpt #: 49 total cpu time spent up to now is 93.6 secs Computing kpt #: 50 total cpu time spent up to now is 94.9 secs Computing kpt #: 51 total cpu time spent up to now is 96.3 secs Computing kpt #: 52 total cpu time spent up to now is 97.7 secs Computing kpt #: 53 total cpu time spent up to now is 98.9 secs Computing kpt #: 54 total cpu time spent up to now is 100.2 secs Computing kpt #: 55 total cpu time spent up to now is 101.4 secs Computing kpt #: 56 total cpu time spent up to now is 102.5 secs Computing kpt #: 57 total cpu time spent up to now is 103.7 secs Computing kpt #: 58 total cpu time spent up to now is 104.9 secs Computing kpt #: 59 total cpu time spent up to now is 106.0 secs Computing kpt #: 60 total cpu time spent up to now is 107.2 secs Computing kpt #: 61 total cpu time spent up to now is 108.5 secs Computing kpt #: 62 total cpu time spent up to now is 109.7 secs Computing kpt #: 63 total cpu time spent up to now is 110.9 secs Computing kpt #: 64 total cpu time spent up to now is 112.2 secs Computing kpt #: 65 total cpu time spent up to now is 113.5 secs Computing kpt #: 66 total cpu time spent up to now is 114.7 secs Computing kpt #: 67 total cpu time spent up to now is 116.0 secs Computing kpt #: 68 total cpu time spent up to now is 117.3 secs Computing kpt #: 69 total cpu time spent up to now is 118.5 secs Computing kpt #: 70 total cpu time spent up to now is 119.9 secs Computing kpt #: 71 total cpu time spent up to now is 121.3 secs Computing kpt #: 72 total cpu time spent up to now is 122.7 secs Computing kpt #: 73 total cpu time spent up to now is 124.0 secs Computing kpt #: 74 total cpu time spent up to now is 125.4 secs Computing kpt #: 75 total cpu time spent up to now is 126.8 secs Computing kpt #: 76 total cpu time spent up 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total cpu time spent up to now is 405.0 secs Computing kpt #: 320 total cpu time spent up to now is 406.1 secs Computing kpt #: 321 total cpu time spent up to now is 407.1 secs Computing kpt #: 322 total cpu time spent up to now is 408.3 secs Computing kpt #: 323 total cpu time spent up to now is 409.4 secs Computing kpt #: 324 total cpu time spent up to now is 410.4 secs Computing kpt #: 325 total cpu time spent up to now is 411.4 secs Computing kpt #: 326 total cpu time spent up to now is 412.4 secs Computing kpt #: 327 total cpu time spent up to now is 413.5 secs Computing kpt #: 328 total cpu time spent up to now is 414.7 secs Computing kpt #: 329 total cpu time spent up to now is 416.1 secs Computing kpt #: 330 total cpu time spent up to now is 417.3 secs Computing kpt #: 331 total cpu time spent up to now is 418.6 secs Computing kpt #: 332 total cpu time spent up to now is 419.8 secs Computing kpt #: 333 total cpu time spent up to now is 421.2 secs Computing kpt #: 334 total cpu 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up to now is 441.0 secs Computing kpt #: 350 total cpu time spent up to now is 442.3 secs Computing kpt #: 351 total cpu time spent up to now is 443.5 secs Computing kpt #: 352 total cpu time spent up to now is 445.3 secs Computing kpt #: 353 total cpu time spent up to now is 447.3 secs Computing kpt #: 354 total cpu time spent up to now is 449.2 secs Computing kpt #: 355 total cpu time spent up to now is 450.8 secs Computing kpt #: 356 total cpu time spent up to now is 452.2 secs Computing kpt #: 357 total cpu time spent up to now is 453.4 secs Computing kpt #: 358 total cpu time spent up to now is 454.6 secs Computing kpt #: 359 total cpu time spent up to now is 455.8 secs Computing kpt #: 360 total cpu time spent up to now is 457.0 secs Computing kpt #: 361 total cpu time spent up to now is 458.2 secs Computing kpt #: 362 total cpu time spent up to now is 459.3 secs Computing kpt #: 363 total cpu time spent up to now is 460.3 secs Computing kpt #: 364 total cpu time spent up to now is 461.3 secs Computing kpt #: 365 total cpu time spent up to now is 462.4 secs ethr = 2.63E-11, avg # of iterations = 21.4 total cpu time spent up to now is 462.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2783 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6831 -21.6831 -21.5300 -21.5300 -4.7043 -4.7043 -4.5892 -4.5892 -4.0754 -4.0754 -3.7707 -3.7707 -3.6103 -3.6103 -3.5859 -3.5859 -2.9288 -2.9288 2.1918 2.1918 5.6710 5.6710 6.4120 6.4120 8.0715 8.0715 8.2056 8.2056 8.9539 8.9539 9.0865 9.0865 11.1212 11.1212 12.8284 12.8284 13.0740 13.0740 13.2282 13.2282 13.4658 13.4658 k = 0.0091 0.0052-0.0000 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5303 -21.5303 -4.7040 -4.7040 -4.5892 -4.5892 -4.0748 -4.0748 -3.7706 -3.7706 -3.6104 -3.6104 -3.5855 -3.5855 -2.9283 -2.9283 2.1933 2.1933 5.6725 5.6725 6.4118 6.4118 8.0696 8.0696 8.2038 8.2038 8.9517 8.9517 9.0840 9.0840 11.1195 11.1195 12.8277 12.8277 13.0731 13.0731 13.2282 13.2282 13.4649 13.4649 k = 0.0182 0.0105-0.0000 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3552 -30.3552 -21.6832 -21.6832 -21.5309 -21.5309 -4.7034 -4.7034 -4.5890 -4.5890 -4.0731 -4.0731 -3.7704 -3.7704 -3.6106 -3.6106 -3.5842 -3.5842 -2.9267 -2.9267 2.1978 2.1978 5.6771 5.6771 6.4113 6.4113 8.0635 8.0635 8.1990 8.1990 8.9449 8.9449 9.0765 9.0765 11.1144 11.1144 12.8255 12.8255 13.0704 13.0704 13.2277 13.2277 13.4629 13.4629 k = 0.0273 0.0157-0.0000 ( 2795 PWs) bands (ev): -57.5315 -57.5315 -30.3554 -30.3554 -21.6833 -21.6833 -21.5319 -21.5319 -4.7023 -4.7023 -4.5887 -4.5887 -4.0704 -4.0704 -3.7699 -3.7699 -3.6110 -3.6110 -3.5821 -3.5821 -2.9241 -2.9241 2.2055 2.2055 5.6846 5.6846 6.4104 6.4104 8.0515 8.0515 8.1930 8.1930 8.9337 8.9337 9.0643 9.0643 11.1058 11.1058 12.8219 12.8219 13.0660 13.0660 13.2260 13.2260 13.4611 13.4611 k = 0.0364 0.0210-0.0000 ( 2795 PWs) bands (ev): -57.5314 -57.5314 -30.3557 -30.3557 -21.6835 -21.6835 -21.5333 -21.5333 -4.7008 -4.7008 -4.5883 -4.5883 -4.0665 -4.0665 -3.7693 -3.7693 -3.6115 -3.6115 -3.5791 -3.5791 -2.9204 -2.9204 2.2161 2.2161 5.6951 5.6951 6.4092 6.4092 8.0315 8.0315 8.1881 8.1881 8.9180 8.9180 9.0473 9.0473 11.0938 11.0938 12.8170 12.8170 13.0601 13.0601 13.2221 13.2221 13.4616 13.4616 k = 0.0455 0.0262-0.0000 ( 2795 PWs) bands (ev): -57.5313 -57.5313 -30.3562 -30.3562 -21.6838 -21.6838 -21.5352 -21.5352 -4.6989 -4.6989 -4.5878 -4.5878 -4.0616 -4.0616 -3.7684 -3.7684 -3.6122 -3.6122 -3.5752 -3.5752 -2.9157 -2.9157 2.2297 2.2297 5.7086 5.7086 6.4076 6.4076 8.0020 8.0020 8.1861 8.1861 8.8978 8.8978 9.0258 9.0258 11.0783 11.0783 12.8109 12.8109 13.0529 13.0529 13.2148 13.2148 13.4664 13.4664 k = 0.0545 0.0315-0.0000 ( 2791 PWs) bands (ev): -57.5312 -57.5312 -30.3566 -30.3566 -21.6840 -21.6840 -21.5373 -21.5373 -4.6966 -4.6966 -4.5871 -4.5871 -4.0557 -4.0557 -3.7674 -3.7674 -3.6130 -3.6130 -3.5703 -3.5703 -2.9100 -2.9100 2.2464 2.2464 5.7251 5.7251 6.4056 6.4056 7.9629 7.9629 8.1877 8.1877 8.8732 8.8732 9.0002 9.0002 11.0591 11.0591 12.8037 12.8037 13.0446 13.0446 13.2040 13.2040 13.4769 13.4769 k = 0.0636 0.0367-0.0000 ( 2795 PWs) bands (ev): -57.5310 -57.5310 -30.3573 -30.3573 -21.6844 -21.6844 -21.5399 -21.5399 -4.6940 -4.6940 -4.5863 -4.5863 -4.0489 -4.0489 -3.7663 -3.7663 -3.6140 -3.6140 -3.5643 -3.5643 -2.9032 -2.9032 2.2661 2.2661 5.7444 5.7444 6.4033 6.4033 7.9147 7.9147 8.1926 8.1926 8.8440 8.8440 8.9708 8.9708 11.0364 11.0364 12.7956 12.7956 13.0355 13.0355 13.1901 13.1901 13.4934 13.4934 k = 0.0727 0.0420-0.0000 ( 2795 PWs) bands (ev): -57.5309 -57.5309 -30.3580 -30.3580 -21.6848 -21.6848 -21.5428 -21.5428 -4.6910 -4.6910 -4.5855 -4.5855 -4.0412 -4.0412 -3.7650 -3.7650 -3.6150 -3.6150 -3.5572 -3.5572 -2.8955 -2.8955 2.2888 2.2888 5.7667 5.7667 6.4005 6.4005 7.8585 7.8585 8.2002 8.2002 8.8102 8.8102 8.9380 8.9380 11.0099 11.0099 12.7868 12.7868 13.0257 13.0257 13.1743 13.1743 13.5158 13.5158 k = 0.0818 0.0472-0.0000 ( 2789 PWs) bands (ev): -57.5306 -57.5306 -30.3587 -30.3587 -21.6853 -21.6853 -21.5461 -21.5461 -4.6878 -4.6878 -4.5845 -4.5845 -4.0327 -4.0327 -3.7635 -3.7635 -3.6162 -3.6162 -3.5490 -3.5490 -2.8868 -2.8868 2.3144 2.3144 5.7917 5.7917 6.3973 6.3973 7.7954 7.7954 8.2100 8.2100 8.7719 8.7719 8.9024 8.9024 10.9798 10.9798 12.7777 12.7777 13.0155 13.0155 13.1577 13.1577 13.5433 13.5433 k = 0.0909 0.0525-0.0000 ( 2793 PWs) bands (ev): -57.5304 -57.5304 -30.3596 -30.3596 -21.6859 -21.6859 -21.5497 -21.5497 -4.6844 -4.6844 -4.5835 -4.5835 -4.0235 -4.0235 -3.7619 -3.7619 -3.6174 -3.6174 -3.5394 -3.5394 -2.8771 -2.8771 2.3430 2.3430 5.8195 5.8195 6.3936 6.3936 7.7261 7.7261 8.2216 8.2216 8.7291 8.7291 8.8644 8.8644 10.9459 10.9459 12.7684 12.7684 13.0051 13.0051 13.1416 13.1416 13.5752 13.5752 k = 0.1000 0.0577-0.0000 ( 2791 PWs) bands (ev): -57.5302 -57.5302 -30.3606 -30.3606 -21.6865 -21.6865 -21.5535 -21.5535 -4.6808 -4.6808 -4.5823 -4.5823 -4.0137 -4.0137 -3.7602 -3.7602 -3.6187 -3.6187 -3.5284 -3.5284 -2.8665 -2.8665 2.3746 2.3746 5.8500 5.8500 6.3894 6.3894 7.6515 7.6515 8.2346 8.2346 8.6818 8.6818 8.8245 8.8245 10.9085 10.9085 12.7594 12.7594 12.9947 12.9947 13.1269 13.1269 13.6108 13.6108 k = 0.1091 0.0630-0.0000 ( 2781 PWs) bands (ev): -57.5299 -57.5299 -30.3615 -30.3615 -21.6872 -21.6872 -21.5575 -21.5575 -4.6770 -4.6770 -4.5811 -4.5811 -4.0035 -4.0035 -3.7583 -3.7583 -3.6201 -3.6201 -3.5159 -3.5159 -2.8550 -2.8550 2.4090 2.4090 5.8830 5.8830 6.3847 6.3847 7.5723 7.5723 8.2487 8.2487 8.6304 8.6304 8.7831 8.7831 10.8675 10.8675 12.7509 12.7509 12.9849 12.9849 13.1141 13.1141 13.6495 13.6495 k = 0.1182 0.0682-0.0000 ( 2777 PWs) bands (ev): -57.5296 -57.5296 -30.3626 -30.3626 -21.6881 -21.6881 -21.5619 -21.5619 -4.6731 -4.6731 -4.5798 -4.5798 -3.9929 -3.9929 -3.7563 -3.7563 -3.6215 -3.6215 -3.5018 -3.5018 -2.8426 -2.8426 2.4463 2.4463 5.9186 5.9186 6.3794 6.3794 7.4892 7.4892 8.2635 8.2635 8.5752 8.5752 8.7405 8.7405 10.8232 10.8232 12.7432 12.7432 12.9758 12.9758 13.1037 13.1037 13.6908 13.6908 k = 0.1273 0.0735-0.0000 ( 2777 PWs) bands (ev): -57.5293 -57.5293 -30.3638 -30.3638 -21.6891 -21.6891 -21.5664 -21.5664 -4.6692 -4.6692 -4.5785 -4.5785 -3.9821 -3.9821 -3.7542 -3.7542 -3.6229 -3.6229 -3.4860 -3.4860 -2.8294 -2.8294 2.4865 2.4865 5.9565 5.9565 6.3734 6.3734 7.4027 7.4027 8.2782 8.2782 8.5172 8.5172 8.6970 8.6970 10.7757 10.7757 12.7366 12.7366 12.9679 12.9679 13.0958 13.0958 13.7341 13.7341 k = 0.1364 0.0787-0.0000 ( 2781 PWs) bands (ev): -57.5290 -57.5290 -30.3650 -30.3650 -21.6903 -21.6903 -21.5712 -21.5712 -4.6652 -4.6652 -4.5771 -4.5771 -3.9712 -3.9712 -3.7521 -3.7521 -3.6242 -3.6242 -3.4684 -3.4684 -2.8153 -2.8153 2.5295 2.5295 5.9966 5.9966 6.3668 6.3668 7.3134 7.3134 8.2914 8.2914 8.4582 8.4582 8.6529 8.6529 10.7254 10.7254 12.7314 12.7314 12.9614 12.9614 13.0907 13.0907 13.7791 13.7791 k = 0.1455 0.0840-0.0000 ( 2779 PWs) bands (ev): -57.5287 -57.5287 -30.3663 -30.3663 -21.6916 -21.6916 -21.5760 -21.5760 -4.6612 -4.6612 -4.5756 -4.5756 -3.9603 -3.9603 -3.7499 -3.7499 -3.6256 -3.6256 -3.4489 -3.4489 -2.8005 -2.8005 2.5752 2.5752 6.0387 6.0387 6.3594 6.3594 7.2219 7.2219 8.2975 8.2975 8.4037 8.4037 8.6084 8.6084 10.6724 10.6724 12.7279 12.7279 12.9568 12.9568 13.0883 13.0883 13.8253 13.8253 k = 0.1545 0.0892-0.0000 ( 2777 PWs) bands (ev): -57.5283 -57.5283 -30.3677 -30.3677 -21.6931 -21.6931 -21.5809 -21.5809 -4.6573 -4.6573 -4.5741 -4.5741 -3.9496 -3.9496 -3.7476 -3.7476 -3.6269 -3.6269 -3.4274 -3.4274 -2.7849 -2.7849 2.6237 2.6237 6.0824 6.0824 6.3512 6.3512 7.1289 7.1289 8.2773 8.2773 8.3730 8.3730 8.5641 8.5641 10.6172 10.6172 12.7261 12.7261 12.9542 12.9542 13.0887 13.0887 13.8723 13.8723 k = 0.1636 0.0945-0.0000 ( 2773 PWs) bands (ev): -57.5280 -57.5280 -30.3691 -30.3691 -21.6947 -21.6947 -21.5859 -21.5859 -4.6534 -4.6534 -4.5726 -4.5726 -3.9391 -3.9391 -3.7453 -3.7453 -3.6280 -3.6280 -3.4040 -3.4040 -2.7686 -2.7686 2.6748 2.6748 6.1275 6.1275 6.3421 6.3421 7.0350 7.0350 8.2238 8.2238 8.3728 8.3728 8.5210 8.5210 10.5602 10.5602 12.7264 12.7264 12.9537 12.9537 13.0917 13.0917 13.9199 13.9199 k = 0.1727 0.0997-0.0000 ( 2773 PWs) bands (ev): -57.5276 -57.5276 -30.3706 -30.3706 -21.6967 -21.6967 -21.5908 -21.5908 -4.6497 -4.6497 -4.5710 -4.5710 -3.9289 -3.9289 -3.7430 -3.7430 -3.6290 -3.6290 -3.3786 -3.3786 -2.7517 -2.7517 2.7286 2.7286 6.1731 6.1731 6.3321 6.3321 6.9410 6.9410 8.1576 8.1576 8.3799 8.3799 8.4820 8.4820 10.5017 10.5017 12.7288 12.7288 12.9556 12.9556 13.0974 13.0974 13.9676 13.9676 k = 0.1818 0.1050-0.0000 ( 2765 PWs) bands (ev): -57.5272 -57.5272 -30.3720 -30.3720 -21.6989 -21.6989 -21.5956 -21.5956 -4.6460 -4.6460 -4.5694 -4.5694 -3.9190 -3.9190 -3.7407 -3.7407 -3.6299 -3.6299 -3.3511 -3.3511 -2.7341 -2.7341 2.7849 2.7849 6.2181 6.2181 6.3213 6.3213 6.8483 6.8483 8.0875 8.0875 8.3766 8.3766 8.4565 8.4565 10.4422 10.4422 12.7334 12.7334 12.9599 12.9599 13.1056 13.1056 14.0152 14.0152 k = 0.1909 0.1102-0.0000 ( 2765 PWs) bands (ev): -57.5268 -57.5268 -30.3736 -30.3736 -21.7013 -21.7013 -21.6004 -21.6004 -4.6426 -4.6426 -4.5678 -4.5678 -3.9096 -3.9096 -3.7385 -3.7385 -3.6305 -3.6305 -3.3217 -3.3217 -2.7159 -2.7159 2.8436 2.8436 6.2594 6.2594 6.3105 6.3105 6.7589 6.7589 8.0159 8.0159 8.3506 8.3506 8.4551 8.4551 10.3823 10.3823 12.7403 12.7403 12.9666 12.9666 13.1162 13.1162 14.0625 14.0625 k = 0.2000 0.1155-0.0000 ( 2763 PWs) bands (ev): -57.5264 -57.5264 -30.3752 -30.3752 -21.7041 -21.7041 -21.6049 -21.6049 -4.6393 -4.6393 -4.5662 -4.5662 -3.9007 -3.9007 -3.7364 -3.7364 -3.6309 -3.6309 -3.2904 -3.2904 -2.6971 -2.6971 2.9048 2.9048 6.2822 6.2822 6.3096 6.3096 6.6778 6.6778 7.9439 7.9439 8.3115 8.3115 8.4674 8.4674 10.3222 10.3222 12.7496 12.7496 12.9758 12.9758 13.1292 13.1292 14.1091 14.1091 k = 0.2091 0.1207-0.0000 ( 2763 PWs) bands (ev): -57.5260 -57.5260 -30.3768 -30.3768 -21.7072 -21.7072 -21.6093 -21.6093 -4.6361 -4.6361 -4.5646 -4.5646 -3.8922 -3.8922 -3.7345 -3.7345 -3.6310 -3.6310 -3.2572 -3.2572 -2.6779 -2.6779 2.9682 2.9682 6.2729 6.2729 6.3213 6.3213 6.6159 6.6159 7.8724 7.8724 8.2684 8.2684 8.4840 8.4840 10.2626 10.2626 12.7611 12.7611 12.9875 12.9875 13.1442 13.1442 14.1549 14.1549 k = 0.2182 0.1260-0.0000 ( 2771 PWs) bands (ev): -57.5256 -57.5256 -30.3785 -30.3785 -21.7108 -21.7108 -21.6135 -21.6135 -4.6332 -4.6332 -4.5630 -4.5630 -3.8842 -3.8842 -3.7327 -3.7327 -3.6307 -3.6307 -3.2223 -3.2223 -2.6582 -2.6582 3.0338 3.0338 6.2559 6.2559 6.3035 6.3035 6.5907 6.5907 7.8020 7.8020 8.2242 8.2242 8.5020 8.5020 10.2039 10.2039 12.7749 12.7749 13.0016 13.0016 13.1610 13.1610 14.1997 14.1997 k = 0.2273 0.1312-0.0000 ( 2771 PWs) bands (ev): -57.5252 -57.5252 -30.3802 -30.3802 -21.7146 -21.7146 -21.6174 -21.6174 -4.6305 -4.6305 -4.5613 -4.5613 -3.8767 -3.8767 -3.7311 -3.7311 -3.6301 -3.6301 -3.1858 -3.1858 -2.6381 -2.6381 3.1015 3.1015 6.2319 6.2319 6.2525 6.2525 6.6052 6.6052 7.7332 7.7332 8.1798 8.1798 8.5205 8.5205 10.1467 10.1467 12.7909 12.7909 13.0180 13.0180 13.1794 13.1794 14.2432 14.2432 k = 0.2364 0.1365-0.0000 ( 2777 PWs) bands (ev): -57.5248 -57.5248 -30.3819 -30.3819 -21.7188 -21.7188 -21.6210 -21.6210 -4.6280 -4.6280 -4.5597 -4.5597 -3.8696 -3.8696 -3.7298 -3.7298 -3.6291 -3.6291 -3.1478 -3.1478 -2.6177 -2.6177 3.1710 3.1710 6.1665 6.1665 6.2192 6.2192 6.6426 6.6426 7.6666 7.6666 8.1357 8.1357 8.5388 8.5388 10.0913 10.0913 12.8089 12.8089 13.0364 13.0364 13.1987 13.1987 14.2853 14.2853 k = 0.2455 0.1417-0.0000 ( 2769 PWs) bands (ev): -57.5244 -57.5244 -30.3836 -30.3836 -21.7232 -21.7232 -21.6242 -21.6242 -4.6256 -4.6256 -4.5581 -4.5581 -3.8629 -3.8629 -3.7287 -3.7287 -3.6277 -3.6277 -3.1084 -3.1084 -2.5970 -2.5970 3.2424 3.2424 6.0813 6.0813 6.1945 6.1945 6.6903 6.6903 7.6026 7.6026 8.0922 8.0922 8.5568 8.5568 10.0384 10.0384 12.8287 12.8287 13.0564 13.0564 13.2184 13.2184 14.3257 14.3257 k = 0.2545 0.1470-0.0000 ( 2769 PWs) bands (ev): -57.5239 -57.5239 -30.3853 -30.3853 -21.7280 -21.7280 -21.6271 -21.6271 -4.6235 -4.6235 -4.5566 -4.5566 -3.8566 -3.8566 -3.7280 -3.7280 -3.6259 -3.6259 -3.0678 -3.0678 -2.5760 -2.5760 3.3154 3.3154 5.9919 5.9919 6.1682 6.1682 6.7429 6.7429 7.5418 7.5418 8.0493 8.0493 8.5743 8.5743 9.9882 9.9882 12.8500 12.8500 13.0771 13.0771 13.2373 13.2373 14.3174 14.3174 k = 0.2636 0.1522-0.0000 ( 2767 PWs) bands (ev): -57.5235 -57.5235 -30.3869 -30.3869 -21.7330 -21.7330 -21.6298 -21.6298 -4.6216 -4.6216 -4.5551 -4.5551 -3.8506 -3.8506 -3.7275 -3.7275 -3.6237 -3.6237 -3.0262 -3.0262 -2.5549 -2.5549 3.3897 3.3897 5.9014 5.9014 6.1396 6.1396 6.7976 6.7976 7.4844 7.4844 8.0073 8.0073 8.5911 8.5911 9.9413 9.9413 12.8721 12.8721 13.0968 13.0968 13.2538 13.2538 14.1167 14.1167 k = 0.2727 0.1575-0.0000 ( 2775 PWs) bands (ev): -57.5231 -57.5231 -30.3887 -30.3887 -21.7383 -21.7383 -21.6322 -21.6322 -4.6199 -4.6199 -4.5536 -4.5536 -3.8451 -3.8451 -3.7273 -3.7273 -3.6211 -3.6211 -2.9836 -2.9836 -2.5337 -2.5337 3.4652 3.4652 5.8112 5.8112 6.1086 6.1086 6.8532 6.8532 7.4310 7.4310 7.9663 7.9663 8.6071 8.6071 9.8980 9.8980 12.8933 12.8933 13.1111 13.1111 13.2659 13.2659 13.9318 13.9318 k = 0.2818 0.1627-0.0000 ( 2760 PWs) bands (ev): -57.5227 -57.5227 -30.3902 -30.3902 -21.7437 -21.7437 -21.6342 -21.6342 -4.6183 -4.6183 -4.5522 -4.5522 -3.8398 -3.8398 -3.7273 -3.7273 -3.6182 -3.6182 -2.9404 -2.9404 -2.5125 -2.5125 3.5415 3.5415 5.7221 5.7221 6.0753 6.0753 6.9087 6.9087 7.3818 7.3818 7.9263 7.9263 8.6223 8.6223 9.8586 9.8586 12.9094 12.9094 13.1102 13.1102 13.2739 13.2739 13.7790 13.7790 k = 0.2909 0.1680-0.0000 ( 2762 PWs) bands (ev): -57.5222 -57.5222 -30.3919 -30.3919 -21.7493 -21.7493 -21.6360 -21.6360 -4.6170 -4.6170 -4.5509 -4.5509 -3.8348 -3.8348 -3.7276 -3.7276 -3.6149 -3.6149 -2.8967 -2.8967 -2.4913 -2.4913 3.6184 3.6184 5.6348 5.6348 6.0397 6.0397 6.9634 6.9634 7.3373 7.3373 7.8875 7.8875 8.6366 8.6366 9.8235 9.8235 12.9047 12.9047 13.0849 13.0849 13.2845 13.2845 13.6764 13.6764 k = 0.3000 0.1732-0.0000 ( 2758 PWs) bands (ev): -57.5218 -57.5218 -30.3935 -30.3935 -21.7550 -21.7550 -21.6376 -21.6376 -4.6158 -4.6158 -4.5496 -4.5496 -3.8301 -3.8301 -3.7281 -3.7281 -3.6115 -3.6115 -2.8526 -2.8526 -2.4702 -2.4702 3.6954 3.6954 5.5497 5.5497 6.0021 6.0021 7.0161 7.0161 7.2983 7.2983 7.8500 7.8500 8.6501 8.6501 9.7929 9.7929 12.8384 12.8384 13.0643 13.0643 13.3050 13.3050 13.6284 13.6284 k = 0.3091 0.1785-0.0000 ( 2762 PWs) bands (ev): -57.5214 -57.5214 -30.3952 -30.3952 -21.7608 -21.7608 -21.6391 -21.6391 -4.6148 -4.6148 -4.5484 -4.5484 -3.8256 -3.8256 -3.7287 -3.7287 -3.6078 -3.6078 -2.8083 -2.8083 -2.4492 -2.4492 3.7720 3.7720 5.4673 5.4673 5.9626 5.9626 7.0651 7.0651 7.2662 7.2662 7.8137 7.8137 8.6625 8.6625 9.7667 9.7667 12.7018 12.7018 13.0738 13.0738 13.3344 13.3344 13.6192 13.6192 k = 0.3182 0.1837-0.0000 ( 2764 PWs) bands (ev): -57.5211 -57.5211 -30.3968 -30.3968 -21.7666 -21.7666 -21.6404 -21.6404 -4.6139 -4.6139 -4.5472 -4.5472 -3.8214 -3.8214 -3.7295 -3.7295 -3.6039 -3.6039 -2.7641 -2.7641 -2.4286 -2.4286 3.8478 3.8478 5.3883 5.3883 5.9216 5.9216 7.1053 7.1053 7.2458 7.2458 7.7789 7.7789 8.6741 8.6741 9.7451 9.7451 12.5307 12.5307 13.0980 13.0980 13.3694 13.3694 13.6317 13.6317 k = 0.3273 0.1890-0.0000 ( 2762 PWs) bands (ev): -57.5207 -57.5207 -30.3983 -30.3983 -21.7722 -21.7722 -21.6415 -21.6415 -4.6132 -4.6132 -4.5461 -4.5461 -3.8174 -3.8174 -3.7305 -3.7305 -3.6000 -3.6000 -2.7202 -2.7202 -2.4082 -2.4082 3.9221 3.9221 5.3132 5.3132 5.8795 5.8795 7.1258 7.1258 7.2479 7.2479 7.7456 7.7456 8.6848 8.6848 9.7278 9.7278 12.3459 12.3459 13.1278 13.1278 13.4080 13.4080 13.6561 13.6561 k = 0.3364 0.1942-0.0000 ( 2762 PWs) bands (ev): -57.5203 -57.5203 -30.3998 -30.3998 -21.7778 -21.7778 -21.6424 -21.6424 -4.6125 -4.6125 -4.5452 -4.5452 -3.8137 -3.8137 -3.7315 -3.7315 -3.5959 -3.5959 -2.6767 -2.6767 -2.3882 -2.3882 3.9939 3.9939 5.2428 5.2428 5.8366 5.8366 7.1225 7.1225 7.2763 7.2763 7.7139 7.7139 8.6946 8.6946 9.7145 9.7145 12.1564 12.1564 13.1601 13.1601 13.4490 13.4490 13.6873 13.6873 k = 0.3455 0.1994-0.0000 ( 2762 PWs) bands (ev): -57.5199 -57.5199 -30.4012 -30.4012 -21.7833 -21.7833 -21.6433 -21.6433 -4.6120 -4.6120 -4.5443 -4.5443 -3.8101 -3.8101 -3.7325 -3.7325 -3.5919 -3.5919 -2.6338 -2.6338 -2.3687 -2.3687 4.0622 4.0622 5.1779 5.1779 5.7934 5.7934 7.1082 7.1082 7.3180 7.3180 7.6840 7.6840 8.7035 8.7035 9.7046 9.7046 11.9669 11.9669 13.1936 13.1936 13.4916 13.4916 13.7231 13.7231 k = 0.3545 0.2047-0.0000 ( 2762 PWs) bands (ev): -57.5196 -57.5196 -30.4026 -30.4026 -21.7887 -21.7887 -21.6440 -21.6440 -4.6116 -4.6116 -4.5434 -4.5434 -3.8068 -3.8068 -3.7336 -3.7336 -3.5879 -3.5879 -2.5919 -2.5919 -2.3498 -2.3498 4.1257 4.1257 5.1197 5.1197 5.7504 5.7504 7.0917 7.0917 7.3641 7.3641 7.6559 7.6559 8.7116 8.7116 9.6974 9.6974 11.7801 11.7801 13.2275 13.2275 13.5353 13.5353 13.7620 13.7620 k = 0.3636 0.2099-0.0000 ( 2754 PWs) bands (ev): -57.5193 -57.5193 -30.4038 -30.4038 -21.7938 -21.7938 -21.6447 -21.6447 -4.6113 -4.6113 -4.5426 -4.5426 -3.8036 -3.8036 -3.7347 -3.7347 -3.5839 -3.5839 -2.5510 -2.5510 -2.3315 -2.3315 4.1827 4.1827 5.0696 5.0696 5.7078 5.7078 7.0757 7.0757 7.4116 7.4116 7.6303 7.6303 8.7189 8.7189 9.6917 9.6917 11.5980 11.5980 13.2613 13.2613 13.5797 13.5797 13.8033 13.8033 k = 0.3727 0.2152-0.0000 ( 2750 PWs) bands (ev): -57.5189 -57.5189 -30.4051 -30.4051 -21.7987 -21.7987 -21.6452 -21.6452 -4.6110 -4.6110 -4.5420 -4.5420 -3.8007 -3.8007 -3.7358 -3.7358 -3.5800 -3.5800 -2.5115 -2.5115 -2.3138 -2.3138 4.2314 4.2314 5.0293 5.0293 5.6663 5.6663 7.0611 7.0611 7.4587 7.4587 7.6081 7.6081 8.7255 8.7255 9.6862 9.6862 11.4224 11.4224 13.2944 13.2944 13.6244 13.6244 13.8464 13.8464 k = 0.3818 0.2204-0.0000 ( 2750 PWs) bands (ev): -57.5186 -57.5186 -30.4063 -30.4063 -21.8035 -21.8035 -21.6457 -21.6457 -4.6108 -4.6108 -4.5414 -4.5414 -3.7979 -3.7979 -3.7369 -3.7369 -3.5762 -3.5762 -2.4735 -2.4735 -2.2969 -2.2969 4.2697 4.2697 5.0004 5.0004 5.6261 5.6261 7.0480 7.0480 7.5010 7.5010 7.5940 7.5940 8.7315 8.7315 9.6788 9.6788 11.2554 11.2554 13.3266 13.3266 13.6689 13.6689 13.8908 13.8908 k = 0.3909 0.2257-0.0000 ( 2744 PWs) bands (ev): -57.5183 -57.5183 -30.4073 -30.4073 -21.8079 -21.8079 -21.6461 -21.6461 -4.6107 -4.6107 -4.5408 -4.5408 -3.7953 -3.7953 -3.7379 -3.7379 -3.5726 -3.5726 -2.4373 -2.4373 -2.2809 -2.2809 4.2961 4.2961 4.9841 4.9841 5.5876 5.5876 7.0366 7.0366 7.5222 7.5222 7.6044 7.6044 8.7368 8.7368 9.6674 9.6674 11.0991 11.0991 13.3575 13.3575 13.7130 13.7130 13.9363 13.9363 k = 0.4000 0.2309-0.0000 ( 2736 PWs) bands (ev): -57.5181 -57.5181 -30.4083 -30.4083 -21.8120 -21.8120 -21.6464 -21.6464 -4.6106 -4.6106 -4.5403 -4.5403 -3.7930 -3.7930 -3.7388 -3.7388 -3.5692 -3.5692 -2.4030 -2.4030 -2.2657 -2.2657 4.3101 4.3101 4.9807 4.9807 5.5512 5.5512 7.0266 7.0266 7.5164 7.5164 7.6460 7.6460 8.7414 8.7414 9.6490 9.6490 10.9562 10.9562 13.3868 13.3868 13.7563 13.7563 13.9824 13.9824 k = 0.4091 0.2362-0.0000 ( 2736 PWs) bands (ev): -57.5178 -57.5178 -30.4093 -30.4093 -21.8159 -21.8159 -21.6467 -21.6467 -4.6105 -4.6105 -4.5399 -4.5399 -3.7908 -3.7908 -3.7398 -3.7398 -3.5660 -3.5660 -2.3711 -2.3711 -2.2515 -2.2515 4.3128 4.3128 4.9886 4.9886 5.5172 5.5172 7.0180 7.0180 7.5023 7.5023 7.7002 7.7002 8.7456 8.7456 9.6206 9.6206 10.8295 10.8295 13.4142 13.4142 13.7985 13.7985 14.0286 14.0286 k = 0.4182 0.2414-0.0000 ( 2740 PWs) bands (ev): -57.5176 -57.5176 -30.4102 -30.4102 -21.8195 -21.8195 -21.6471 -21.6471 -4.6105 -4.6105 -4.5395 -4.5395 -3.7889 -3.7889 -3.7406 -3.7406 -3.5631 -3.5631 -2.3416 -2.3416 -2.2383 -2.2383 4.3066 4.3066 5.0051 5.0051 5.4859 5.4859 7.0106 7.0106 7.4873 7.4873 7.7604 7.7604 8.7492 8.7492 9.5791 9.5791 10.7218 10.7218 13.4395 13.4395 13.8391 13.8391 14.0745 14.0745 k = 0.4273 0.2467-0.0000 ( 2744 PWs) bands (ev): -57.5174 -57.5174 -30.4110 -30.4110 -21.8227 -21.8227 -21.6473 -21.6473 -4.6105 -4.6105 -4.5392 -4.5392 -3.7872 -3.7872 -3.7414 -3.7414 -3.5604 -3.5604 -2.3147 -2.3147 -2.2260 -2.2260 4.2942 4.2942 5.0272 5.0272 5.4576 5.4576 7.0043 7.0043 7.4730 7.4730 7.8250 7.8250 8.7524 8.7524 9.5228 9.5228 10.6346 10.6346 13.4624 13.4624 13.8778 13.8778 14.1195 14.1195 k = 0.4364 0.2519-0.0000 ( 2744 PWs) bands (ev): -57.5173 -57.5173 -30.4117 -30.4117 -21.8256 -21.8256 -21.6475 -21.6475 -4.6105 -4.6105 -4.5390 -4.5390 -3.7857 -3.7857 -3.7420 -3.7420 -3.5579 -3.5579 -2.2908 -2.2908 -2.2149 -2.2149 4.2784 4.2784 5.0518 5.0518 5.4325 5.4325 6.9990 6.9990 7.4601 7.4601 7.8936 7.8936 8.7551 8.7551 9.4516 9.4516 10.5680 10.5680 13.4829 13.4829 13.9141 13.9141 14.1630 14.1630 k = 0.4455 0.2572-0.0000 ( 2732 PWs) bands (ev): -57.5171 -57.5171 -30.4123 -30.4123 -21.8280 -21.8280 -21.6477 -21.6477 -4.6106 -4.6106 -4.5387 -4.5387 -3.7843 -3.7843 -3.7426 -3.7426 -3.5558 -3.5558 -2.2700 -2.2700 -2.2048 -2.2048 4.2614 4.2614 5.0763 5.0763 5.4109 5.4109 6.9946 6.9946 7.4487 7.4487 7.9658 7.9658 8.7575 8.7575 9.3677 9.3677 10.5199 10.5199 13.5008 13.5008 13.9475 13.9475 14.2042 14.2042 k = 0.4545 0.2624-0.0000 ( 2732 PWs) bands (ev): -57.5169 -57.5169 -30.4128 -30.4128 -21.8302 -21.8302 -21.6478 -21.6478 -4.6106 -4.6106 -4.5385 -4.5385 -3.7832 -3.7832 -3.7431 -3.7431 -3.5539 -3.5539 -2.2524 -2.2524 -2.1958 -2.1958 4.2449 4.2449 5.0990 5.0990 5.3928 5.3928 6.9911 6.9911 7.4389 7.4389 8.0408 8.0408 8.7596 8.7596 9.2751 9.2751 10.4871 10.4871 13.5160 13.5160 13.9771 13.9771 14.2421 14.2421 k = 0.4636 0.2677-0.0000 ( 2732 PWs) bands (ev): -57.5168 -57.5168 -30.4132 -30.4132 -21.8320 -21.8320 -21.6479 -21.6479 -4.6106 -4.6106 -4.5384 -4.5384 -3.7823 -3.7823 -3.7435 -3.7435 -3.5524 -3.5524 -2.2383 -2.2383 -2.1880 -2.1880 4.2300 4.2300 5.1185 5.1185 5.3784 5.3784 6.9883 6.9883 7.4309 7.4309 8.1169 8.1169 8.7616 8.7616 9.1789 9.1789 10.4657 10.4657 13.5285 13.5285 14.0026 14.0026 14.2758 14.2758 k = 0.4727 0.2729-0.0000 ( 2732 PWs) bands (ev): -57.5167 -57.5167 -30.4136 -30.4136 -21.8334 -21.8334 -21.6480 -21.6480 -4.6106 -4.6106 -4.5383 -4.5383 -3.7816 -3.7816 -3.7438 -3.7438 -3.5512 -3.5512 -2.2274 -2.2274 -2.1816 -2.1816 4.2177 4.2177 5.1340 5.1340 5.3676 5.3676 6.9861 6.9861 7.4247 7.4247 8.1912 8.1912 8.7635 8.7635 9.0854 9.0854 10.4525 10.4525 13.5382 13.5382 14.0231 14.0231 14.3039 14.3039 k = 0.4818 0.2782-0.0000 ( 2730 PWs) bands (ev): -57.5167 -57.5167 -30.4138 -30.4138 -21.8343 -21.8343 -21.6480 -21.6480 -4.6107 -4.6107 -4.5382 -4.5382 -3.7811 -3.7811 -3.7440 -3.7440 -3.5504 -3.5504 -2.2199 -2.2199 -2.1767 -2.1767 4.2085 4.2085 5.1452 5.1452 5.3603 5.3603 6.9846 6.9846 7.4202 7.4202 8.2581 8.2581 8.7656 8.7656 9.0023 9.0023 10.4448 10.4448 13.5451 13.5451 14.0382 14.0382 14.3252 14.3252 k = 0.4909 0.2834-0.0000 ( 2730 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8349 -21.8349 -21.6481 -21.6481 -4.6107 -4.6107 -4.5382 -4.5382 -3.7808 -3.7808 -3.7441 -3.7441 -3.5499 -3.5499 -2.2154 -2.2154 -2.1737 -2.1737 4.2029 4.2029 5.1518 5.1518 5.3560 5.3560 6.9838 6.9838 7.4175 7.4175 8.3075 8.3075 8.7680 8.7680 8.9414 8.9414 10.4409 10.4409 13.5493 13.5493 14.0475 14.0475 14.3386 14.3386 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6107 -4.5382 -4.5382 -3.7807 -3.7807 -3.7442 -3.7442 -3.5497 -3.5497 -2.2140 -2.2140 -2.1727 -2.1727 4.2010 4.2010 5.1540 5.1540 5.3546 5.3546 6.9835 6.9835 7.4166 7.4166 8.3263 8.3263 8.7694 8.7694 8.9181 8.9181 10.4397 10.4397 13.5506 13.5506 14.0506 14.0506 14.3431 14.3431 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6107 -4.5382 -4.5382 -3.7807 -3.7807 -3.7442 -3.7442 -3.5497 -3.5497 -2.2140 -2.2140 -2.1727 -2.1727 4.2010 4.2010 5.1540 5.1540 5.3546 5.3546 6.9835 6.9835 7.4166 7.4166 8.3263 8.3263 8.7694 8.7694 8.9181 8.9181 10.4397 10.4397 13.5506 13.5506 14.0506 14.0506 14.3431 14.3431 k = 0.4948 0.2977-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4143 -30.4139 -21.8357 -21.8345 -21.6483 -21.6481 -4.6106 -4.6106 -4.5381 -4.5381 -3.7808 -3.7806 -3.7442 -3.7441 -3.5499 -3.5499 -2.2161 -2.2111 -2.1729 -2.1717 4.2009 4.2042 5.1514 5.1575 5.3547 5.3548 6.9784 6.9853 7.4122 7.4199 8.3208 8.3321 8.7551 8.7649 8.9138 8.9340 10.4285 10.4555 13.5519 13.5547 14.0446 14.0561 14.3240 14.3638 k = 0.4896 0.3067-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4145 -30.4137 -21.8362 -21.8337 -21.6489 -21.6484 -4.6102 -4.6102 -4.5380 -4.5380 -3.7809 -3.7804 -3.7440 -3.7439 -3.5504 -3.5504 -2.2175 -2.2077 -2.1724 -2.1699 4.2039 4.2105 5.1498 5.1619 5.3551 5.3553 6.9703 6.9838 7.4070 7.4221 8.3146 8.3385 8.7273 8.7426 8.9217 8.9559 10.4219 10.4752 13.5580 13.5641 14.0387 14.0600 14.3076 14.3849 k = 0.4844 0.3157-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4148 -30.4136 -21.8365 -21.8328 -21.6496 -21.6490 -4.6097 -4.6096 -4.5379 -4.5378 -3.7809 -3.7802 -3.7437 -3.7436 -3.5513 -3.5512 -2.2181 -2.2037 -2.1712 -2.1672 4.2101 4.2200 5.1492 5.1673 5.3558 5.3561 6.9594 6.9790 7.4011 7.4230 8.3058 8.3450 8.6907 8.7104 8.9368 8.9794 10.4201 10.4981 13.5683 13.5791 14.0336 14.0613 14.2948 14.4047 k = 0.4792 0.3248-0.0000 ( 2726 PWs) bands (ev): -57.5166 -57.5166 -30.4150 -30.4134 -21.8367 -21.8317 -21.6506 -21.6498 -4.6089 -4.6088 -4.5376 -4.5376 -3.7809 -3.7800 -3.7433 -3.7432 -3.5525 -3.5524 -2.2178 -2.1992 -2.1694 -2.1636 4.2194 4.2325 5.1495 5.1736 5.3567 5.3570 6.9460 6.9709 7.3947 7.4223 8.2914 8.3500 8.6491 8.6759 8.9553 9.0031 10.4229 10.5236 13.5818 13.5994 14.0298 14.0588 14.2866 14.4207 k = 0.4740 0.3338-0.0000 ( 2742 PWs) bands (ev): -57.5166 -57.5166 -30.4155 -30.4135 -21.8369 -21.8306 -21.6521 -21.6510 -4.6079 -4.6078 -4.5374 -4.5373 -3.7809 -3.7798 -3.7428 -3.7426 -3.5541 -3.5540 -2.2168 -2.1944 -2.1670 -2.1589 4.2317 4.2481 5.1508 5.1808 5.3578 5.3581 6.9302 6.9597 7.3878 7.4199 8.2673 8.3497 8.6072 8.6459 8.9757 9.0268 10.4298 10.5510 13.5973 13.6246 14.0280 14.0513 14.2835 14.4293 k = 0.4688 0.3428-0.0000 ( 2740 PWs) bands (ev): -57.5165 -57.5165 -30.4158 -30.4134 -21.8369 -21.8293 -21.6536 -21.6525 -4.6067 -4.6066 -4.5370 -4.5369 -3.7808 -3.7795 -3.7422 -3.7420 -3.5560 -3.5559 -2.2150 -2.1894 -2.1640 -2.1532 4.2471 4.2667 5.1530 5.1889 5.3590 5.3593 6.9126 6.9457 7.3805 7.4158 8.2298 8.3367 8.5732 8.6258 8.9975 9.0507 10.4403 10.5795 13.6130 13.6544 14.0288 14.0387 14.2854 14.4256 k = 0.4635 0.3518-0.0000 ( 2740 PWs) bands (ev): -57.5165 -57.5165 -30.4162 -30.4134 -21.8368 -21.8279 -21.6554 -21.6541 -4.6054 -4.6052 -4.5366 -4.5365 -3.7807 -3.7792 -3.7414 -3.7412 -3.5582 -3.5581 -2.2123 -2.1842 -2.1605 -2.1463 4.2655 4.2883 5.1560 5.1977 5.3603 5.3605 6.8933 6.9291 7.3728 7.4097 8.1771 8.3023 8.5565 8.6184 9.0207 9.0753 10.4537 10.6086 13.6269 13.6878 14.0209 14.0328 14.2916 14.4066 k = 0.4583 0.3608-0.0000 ( 2742 PWs) bands (ev): -57.5164 -57.5164 -30.4166 -30.4134 -21.8366 -21.8264 -21.6573 -21.6561 -4.6039 -4.6037 -4.5361 -4.5360 -3.7806 -3.7788 -3.7406 -3.7403 -3.5608 -3.5606 -2.2089 -2.1788 -2.1565 -2.1384 4.2869 4.3128 5.1600 5.2073 5.3616 5.3616 6.8728 6.9105 7.3646 7.4016 8.1106 8.2450 8.5593 8.6234 9.0454 9.1009 10.4696 10.6380 13.6365 13.7237 13.9986 14.0402 14.3009 14.3749 k = 0.4531 0.3699-0.0000 ( 2742 PWs) bands (ev): -57.5164 -57.5164 -30.4171 -30.4135 -21.8364 -21.8248 -21.6595 -21.6582 -4.6022 -4.6020 -4.5355 -4.5354 -3.7803 -3.7784 -3.7396 -3.7392 -3.5636 -3.5634 -2.2047 -2.1733 -2.1521 -2.1296 4.3113 4.3402 5.1647 5.2175 5.3625 5.3628 6.8515 6.8902 7.3558 7.3911 8.0333 8.1705 8.5768 8.6390 9.0716 9.1278 10.4874 10.6673 13.6396 13.7597 13.9730 14.0495 14.3116 14.3382 k = 0.4479 0.3789-0.0000 ( 2742 PWs) bands (ev): -57.5163 -57.5163 -30.4175 -30.4135 -21.8360 -21.8231 -21.6618 -21.6606 -4.6005 -4.6002 -4.5348 -4.5347 -3.7801 -3.7780 -3.7384 -3.7381 -3.5667 -3.5665 -2.1998 -2.1677 -2.1472 -2.1198 4.3385 4.3705 5.1703 5.2284 5.3632 5.3638 6.8298 6.8688 7.3464 7.3779 7.9482 8.0847 8.6040 8.6631 9.0995 9.1562 10.5067 10.6965 13.6346 13.7915 13.9467 14.0561 14.3070 14.3200 k = 0.4427 0.3879-0.0000 ( 2746 PWs) bands (ev): -57.5162 -57.5162 -30.4180 -30.4137 -21.8356 -21.8213 -21.6643 -21.6633 -4.5987 -4.5984 -4.5341 -4.5340 -3.7798 -3.7775 -3.7372 -3.7368 -3.5700 -3.5698 -2.1943 -2.1619 -2.1419 -2.1092 4.3685 4.4035 5.1766 5.2398 5.3633 5.3645 6.8080 6.8469 7.3362 7.3615 7.8581 7.9911 8.6380 8.6942 9.1292 9.1864 10.5273 10.7253 13.6206 13.8091 13.9268 14.0513 14.2928 14.3121 k = 0.4375 0.3969-0.0000 ( 2748 PWs) bands (ev): -57.5162 -57.5162 -30.4185 -30.4138 -21.8352 -21.8194 -21.6669 -21.6661 -4.5968 -4.5965 -4.5333 -4.5332 -3.7794 -3.7770 -3.7358 -3.7354 -3.5736 -3.5734 -2.1880 -2.1560 -2.1363 -2.0980 4.4013 4.4392 5.1835 5.2516 5.3629 5.3650 6.7867 6.8249 7.3252 7.3410 7.7658 7.8919 8.6773 8.7311 9.1607 9.2185 10.5489 10.7539 13.5978 13.7984 13.9220 14.0290 14.2720 14.3022 k = 0.4323 0.4059-0.0000 ( 2748 PWs) bands (ev): -57.5161 -57.5161 -30.4189 -30.4139 -21.8347 -21.8174 -21.6696 -21.6691 -4.5949 -4.5946 -4.5324 -4.5323 -3.7790 -3.7764 -3.7342 -3.7339 -3.5775 -3.5772 -2.1813 -2.1499 -2.1305 -2.0861 4.4368 4.4774 5.1911 5.2635 5.3619 5.3651 6.7661 6.8034 7.3131 7.3147 7.6740 7.7888 8.7211 8.7731 9.1940 9.2525 10.5715 10.7824 13.5664 13.7615 13.9224 13.9915 14.2058 14.3193 k = 0.4271 0.4150-0.0000 ( 2744 PWs) bands (ev): -57.5160 -57.5160 -30.4194 -30.4141 -21.8341 -21.8153 -21.6723 -21.6722 -4.5931 -4.5926 -4.5314 -4.5314 -3.7785 -3.7758 -3.7326 -3.7322 -3.5815 -3.5812 -2.1739 -2.1437 -2.1243 -2.0738 4.4748 4.5182 5.1992 5.2754 5.3601 5.3649 6.7468 6.7830 7.2799 7.2999 7.5868 7.6829 8.7690 8.8197 9.2292 9.2884 10.5949 10.8108 13.5270 13.7067 13.9111 13.9429 14.0845 14.1664 k = 0.4219 0.4240-0.0000 ( 2744 PWs) bands (ev): -57.5159 -57.5159 -30.4199 -30.4142 -21.8335 -21.8132 -21.6755 -21.6752 -4.5912 -4.5907 -4.5303 -4.5303 -3.7780 -3.7751 -3.7308 -3.7304 -3.5857 -3.5854 -2.1662 -2.1374 -2.1180 -2.0611 4.5154 4.5613 5.2077 5.2869 5.3575 5.3647 6.7289 6.7641 7.2326 7.2854 7.5090 7.5753 8.8206 8.8704 9.2663 9.3264 10.6192 10.8392 13.4793 13.6306 13.8705 13.8815 13.9346 13.9864 k = 0.4167 0.4330-0.0000 ( 2744 PWs) bands (ev): -57.5158 -57.5158 -30.4203 -30.4144 -21.8329 -21.8110 -21.6789 -21.6780 -4.5894 -4.5889 -4.5293 -4.5293 -3.7774 -3.7743 -3.7289 -3.7285 -3.5900 -3.5897 -2.1580 -2.1311 -2.1115 -2.0482 4.5583 4.6067 5.2166 5.2972 5.3539 5.3650 6.7129 6.7472 7.1696 7.2691 7.4448 7.4671 8.8756 8.9249 9.3054 9.3664 10.6443 10.8678 13.4201 13.5181 13.7205 13.7920 13.8483 13.8874 k = 0.4115 0.4420-0.0000 ( 2748 PWs) bands (ev): -57.5157 -57.5157 -30.4208 -30.4147 -21.8323 -21.8088 -21.6824 -21.6809 -4.5877 -4.5872 -4.5281 -4.5281 -3.7767 -3.7736 -3.7268 -3.7265 -3.5946 -3.5942 -2.1496 -2.1247 -2.1050 -2.0351 4.6035 4.6542 5.2257 5.3053 5.3496 5.3666 6.6988 6.7326 7.0914 7.2490 7.3608 7.3944 8.9338 8.9827 9.3466 9.4084 10.6702 10.8965 13.3358 13.3618 13.5500 13.6931 13.8002 13.8310 k = 0.4062 0.4511-0.0000 ( 2744 PWs) bands (ev): -57.5156 -57.5156 -30.4213 -30.4148 -21.8316 -21.8065 -21.6859 -21.6837 -4.5861 -4.5855 -4.5270 -4.5269 -3.7760 -3.7727 -3.7246 -3.7243 -3.5991 -3.5988 -2.1409 -2.1182 -2.0984 -2.0219 4.6509 4.7036 5.2347 5.3101 5.3445 5.3707 6.6866 6.7206 7.0029 7.2112 7.2713 7.3541 8.9948 9.0437 9.3900 9.4525 10.6970 10.9253 13.1783 13.1973 13.4261 13.6171 13.7504 13.7819 k = 0.4010 0.4601-0.0000 ( 2746 PWs) bands (ev): -57.5155 -57.5155 -30.4218 -30.4151 -21.8311 -21.8042 -21.6895 -21.6864 -4.5845 -4.5839 -4.5258 -4.5257 -3.7753 -3.7719 -3.7223 -3.7220 -3.6038 -3.6035 -2.1321 -2.1119 -2.0919 -2.0088 4.7002 4.7547 5.2436 5.3109 5.3389 5.3778 6.6756 6.7116 6.9096 7.1232 7.2314 7.3197 9.0585 9.1073 9.4357 9.4988 10.7244 10.9540 12.9842 13.0133 13.3467 13.5508 13.7005 13.7355 k = 0.3958 0.4691-0.0000 ( 2748 PWs) bands (ev): -57.5155 -57.5155 -30.4222 -30.4153 -21.8305 -21.8019 -21.6931 -21.6891 -4.5831 -4.5825 -4.5246 -4.5245 -3.7745 -3.7710 -3.7199 -3.7196 -3.6086 -3.6082 -2.1232 -2.1057 -2.0855 -1.9959 4.7513 4.8073 5.2517 5.3082 5.3332 5.3873 6.6628 6.7058 6.8180 7.0190 7.2078 7.2885 9.1245 9.1731 9.4840 9.5473 10.7524 10.9821 12.7873 12.8143 13.2839 13.4881 13.6523 13.6911 k = 0.3906 0.4781-0.0000 ( 2750 PWs) bands (ev): -57.5154 -57.5154 -30.4227 -30.4156 -21.8300 -21.7997 -21.6967 -21.6916 -4.5819 -4.5812 -4.5234 -4.5233 -3.7737 -3.7701 -3.7174 -3.7171 -3.6133 -3.6130 -2.1144 -2.0996 -2.0792 -1.9833 4.8039 4.8612 5.2586 5.3030 5.3282 5.3985 6.6356 6.7032 6.7431 6.9140 7.1856 7.2589 9.1923 9.2404 9.5354 9.5981 10.7805 11.0089 12.5920 12.6126 13.2272 13.4265 13.6072 13.6486 k = 0.3854 0.4871-0.0000 ( 2742 PWs) bands (ev): -57.5153 -57.5153 -30.4230 -30.4157 -21.8295 -21.7974 -21.7002 -21.6940 -4.5807 -4.5800 -4.5222 -4.5220 -3.7729 -3.7692 -3.7148 -3.7145 -3.6180 -3.6177 -2.1058 -2.0938 -2.0731 -1.9710 4.8578 4.9159 5.2631 5.2961 5.3249 5.4104 6.5707 6.7039 6.7096 6.8107 7.1631 7.2301 9.2617 9.3087 9.5903 9.6513 10.8083 11.0330 12.4011 12.4123 13.1738 13.3652 13.5659 13.6084 k = 0.3802 0.4962-0.0000 ( 2746 PWs) bands (ev): -57.5152 -57.5152 -30.4235 -30.4160 -21.8291 -21.7952 -21.7036 -21.6962 -4.5797 -4.5790 -4.5210 -4.5209 -3.7721 -3.7683 -3.7121 -3.7119 -3.6227 -3.6223 -2.0974 -2.0882 -2.0673 -1.9594 4.9127 4.9709 5.2644 5.2881 5.3245 5.4225 6.4834 6.7034 6.7068 6.7112 7.1399 7.2016 9.3321 9.3770 9.6492 9.7071 10.8350 11.0521 12.2158 12.2177 13.1229 13.3043 13.5289 13.5709 k = 0.3750 0.5052-0.0000 ( 2746 PWs) bands (ev): -57.5151 -57.5151 -30.4238 -30.4162 -21.8287 -21.7932 -21.7068 -21.6983 -4.5788 -4.5781 -4.5200 -4.5198 -3.7713 -3.7674 -3.7094 -3.7092 -3.6272 -3.6269 -2.0894 -2.0830 -2.0619 -1.9484 4.9680 5.0256 5.2622 5.2795 5.3274 5.4346 6.3921 6.6132 6.7068 6.7152 7.1159 7.1733 9.4029 9.4445 9.7129 9.7655 10.8594 11.0626 12.0251 12.0459 13.0746 13.2443 13.4963 13.5364 k = 0.3698 0.5142-0.0000 ( 2738 PWs) bands (ev): -57.5151 -57.5151 -30.4241 -30.4163 -21.8284 -21.7911 -21.7098 -21.7001 -4.5780 -4.5773 -4.5190 -4.5188 -3.7705 -3.7665 -3.7066 -3.7065 -3.6316 -3.6312 -2.0820 -2.0781 -2.0568 -1.9382 5.0232 5.0791 5.2577 5.2707 5.3329 5.4464 6.3024 6.5211 6.7151 6.7255 7.0910 7.1450 9.4736 9.5104 9.7816 9.8263 10.8797 11.0584 11.8427 11.8920 13.0293 13.1863 13.4682 13.5053 k = 0.3646 0.5232-0.0000 ( 2738 PWs) bands (ev): -57.5150 -57.5150 -30.4244 -30.4165 -21.8282 -21.7893 -21.7125 -21.7017 -4.5773 -4.5766 -4.5181 -4.5179 -3.7697 -3.7657 -3.7039 -3.7038 -3.6357 -3.6353 -2.0751 -2.0738 -2.0523 -1.9289 5.0774 5.1298 5.2529 5.2622 5.3398 5.4578 6.2165 6.4347 6.7268 6.7387 7.0655 7.1171 9.5434 9.5740 9.8557 9.8892 10.8927 11.0309 11.6724 11.7646 12.9875 13.1315 13.4444 13.4780 k = 0.3594 0.5322-0.0000 ( 2744 PWs) bands (ev): -57.5150 -57.5150 -30.4247 -30.4167 -21.8280 -21.7878 -21.7150 -21.7031 -4.5768 -4.5761 -4.5173 -4.5171 -3.7691 -3.7650 -3.7014 -3.7013 -3.6395 -3.6391 -2.0699 -2.0690 -2.0482 -1.9207 5.1294 5.1743 5.2507 5.2541 5.3475 5.4688 6.1362 6.3556 6.7410 6.7546 7.0394 7.0897 9.6116 9.6348 9.9348 9.9533 10.8933 10.9716 11.5204 11.6720 12.9499 13.0813 13.4247 13.4548 k = 0.3542 0.5413-0.0000 ( 2744 PWs) bands (ev): -57.5149 -57.5149 -30.4249 -30.4168 -21.8279 -21.7864 -21.7171 -21.7042 -4.5764 -4.5756 -4.5167 -4.5165 -3.7685 -3.7644 -3.6991 -3.6990 -3.6428 -3.6425 -2.0667 -2.0638 -2.0447 -1.9137 5.1775 5.2039 5.2469 5.2588 5.3556 5.4793 6.0633 6.2855 6.7568 6.7727 7.0132 7.0634 9.6774 9.6922 10.0164 10.0183 10.8742 10.8796 11.3964 11.6154 12.9174 13.0372 13.4091 13.4357 k = 0.3490 0.5503-0.0000 ( 2744 PWs) bands (ev): -57.5149 -57.5149 -30.4251 -30.4169 -21.8279 -21.7854 -21.7188 -21.7051 -4.5761 -4.5753 -4.5161 -4.5160 -3.7680 -3.7639 -3.6971 -3.6970 -3.6456 -3.6453 -2.0641 -2.0596 -2.0419 -1.9081 5.2124 5.2189 5.2412 5.2816 5.3637 5.4893 6.0005 6.2268 6.7731 6.7925 6.9872 7.0391 9.7395 9.7455 10.0749 10.1052 10.7640 10.8298 11.3101 11.5867 12.8909 13.0007 13.3973 13.4209 k = 0.3438 0.5593-0.0000 ( 2740 PWs) bands (ev): -57.5148 -57.5148 -30.4252 -30.4170 -21.8278 -21.7846 -21.7199 -21.7057 -4.5758 -4.5751 -4.5158 -4.5156 -3.7676 -3.7635 -3.6955 -3.6955 -3.6477 -3.6474 -2.0621 -2.0564 -2.0398 -1.9039 5.2122 5.2351 5.2531 5.3048 5.3715 5.4984 5.9510 6.1822 6.7883 6.8126 6.9627 7.0184 9.7926 9.7953 10.1220 10.1935 10.6387 10.7687 11.2618 11.5747 12.8711 12.9734 13.3891 13.4104 k = 0.3385 0.5683-0.0000 ( 2740 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4171 -21.8278 -21.7841 -21.7207 -21.7060 -4.5757 -4.5749 -4.5155 -4.5153 -3.7674 -3.7632 -3.6946 -3.6945 -3.6491 -3.6487 -2.0609 -2.0545 -2.0385 -1.9013 5.2107 5.2325 5.2734 5.3199 5.3773 5.5052 5.9189 6.1543 6.7997 6.8302 6.9426 7.0038 9.8289 9.8394 10.1488 10.2776 10.5216 10.7156 11.2404 11.5708 12.8590 12.9564 13.3844 13.4042 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7209 -21.7061 -4.5757 -4.5749 -4.5155 -4.5153 -3.7673 -3.7631 -3.6943 -3.6942 -3.6495 -3.6491 -2.0605 -2.0538 -2.0380 -1.9004 5.2100 5.2315 5.2803 5.3251 5.3793 5.5078 5.9078 6.1448 6.8041 6.8382 6.9338 6.9983 9.8444 9.8587 10.1541 10.3254 10.4588 10.6955 11.2348 11.5700 12.8549 12.9506 13.3828 13.4021 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7209 -21.7061 -4.5757 -4.5749 -4.5155 -4.5153 -3.7673 -3.7631 -3.6943 -3.6942 -3.6495 -3.6491 -2.0605 -2.0538 -2.0380 -1.9004 5.2100 5.2315 5.2803 5.3251 5.3793 5.5078 5.9078 6.1448 6.8041 6.8382 6.9338 6.9983 9.8444 9.8587 10.1541 10.3254 10.4588 10.6955 11.2348 11.5700 12.8549 12.9506 13.3828 13.4021 k = 0.3281 0.5683-0.0000 ( 2740 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4171 -21.8278 -21.7841 -21.7207 -21.7060 -4.5757 -4.5749 -4.5155 -4.5153 -3.7674 -3.7632 -3.6946 -3.6945 -3.6491 -3.6487 -2.0609 -2.0545 -2.0385 -1.9013 5.2108 5.2326 5.2737 5.3195 5.3778 5.5051 5.9185 6.1540 6.7994 6.8297 6.9431 7.0040 9.8230 9.8328 10.1588 10.2957 10.5096 10.7131 11.2395 11.5705 12.8590 12.9564 13.3843 13.4041 k = 0.3229 0.5593-0.0000 ( 2740 PWs) bands (ev): -57.5148 -57.5148 -30.4252 -30.4170 -21.8278 -21.7845 -21.7200 -21.7057 -4.5758 -4.5750 -4.5158 -4.5156 -3.7676 -3.7635 -3.6954 -3.6953 -3.6479 -3.6476 -2.0622 -2.0567 -2.0400 -1.9042 5.2133 5.2360 5.2557 5.3028 5.3748 5.4975 5.9485 6.1799 6.7862 6.8093 6.9659 7.0204 9.7546 9.7565 10.1824 10.2792 10.5933 10.7551 11.2539 11.5726 12.8711 12.9731 13.3886 13.4099 k = 0.3177 0.5503-0.0000 ( 2738 PWs) bands (ev): -57.5149 -57.5149 -30.4250 -30.4169 -21.8276 -21.7850 -21.7189 -21.7051 -4.5760 -4.5752 -4.5161 -4.5159 -3.7681 -3.7640 -3.6966 -3.6965 -3.6462 -3.6458 -2.0644 -2.0604 -2.0425 -1.9091 5.2168 5.2289 5.2422 5.2773 5.3714 5.4864 5.9929 6.2197 6.7671 6.7840 6.9952 7.0447 9.6478 9.6505 10.2199 10.2944 10.6787 10.8063 11.2807 11.5784 12.8907 12.9998 13.3955 13.4193 k = 0.3125 0.5413-0.0000 ( 2740 PWs) bands (ev): -57.5149 -57.5149 -30.4248 -30.4167 -21.8274 -21.7857 -21.7175 -21.7044 -4.5763 -4.5755 -4.5166 -4.5164 -3.7688 -3.7648 -3.6980 -3.6979 -3.6440 -3.6436 -2.0676 -2.0657 -2.0461 -1.9161 5.1974 5.2158 5.2508 5.2519 5.3674 5.4726 6.0475 6.2704 6.7446 6.7567 7.0280 7.0745 9.5237 9.5282 10.2615 10.3277 10.7595 10.8563 11.3239 11.5918 12.9168 13.0346 13.4049 13.4320 k = 0.3073 0.5322-0.0000 ( 2744 PWs) bands (ev): -57.5150 -57.5150 -30.4246 -30.4166 -21.8272 -21.7865 -21.7158 -21.7035 -4.5766 -4.5759 -4.5172 -4.5171 -3.7698 -3.7657 -3.6995 -3.6994 -3.6415 -3.6412 -2.0729 -2.0717 -2.0507 -1.9254 5.1635 5.1921 5.2477 5.2623 5.3624 5.4564 6.1089 6.3292 6.7205 6.7288 7.0629 7.1081 9.3934 9.3989 10.3003 10.3679 10.8328 10.9009 11.3862 11.6170 12.9483 13.0754 13.4168 13.4475 k = 0.3021 0.5232-0.0000 ( 2746 PWs) bands (ev): -57.5151 -57.5151 -30.4243 -30.4163 -21.8267 -21.7872 -21.7139 -21.7025 -4.5770 -4.5763 -4.5180 -4.5178 -3.7709 -3.7669 -3.7010 -3.7008 -3.6389 -3.6385 -2.0819 -2.0768 -2.0563 -1.9369 5.1292 5.1549 5.2572 5.2767 5.3566 5.4376 6.1749 6.3940 6.6959 6.7008 7.0995 7.1444 9.2617 9.2680 10.3316 10.4077 10.8978 10.9420 11.4669 11.6582 12.9839 13.1197 13.4313 13.4655 k = 0.2969 0.5142-0.0000 ( 2747 PWs) bands (ev): -57.5152 -57.5152 -30.4239 -30.4161 -21.8261 -21.7879 -21.7118 -21.7013 -4.5775 -4.5767 -4.5188 -4.5187 -3.7723 -3.7684 -3.7024 -3.7022 -3.6362 -3.6359 -2.0929 -2.0829 -2.0630 -1.9507 5.0961 5.1152 5.2702 5.2941 5.3508 5.4161 6.2437 6.4631 6.6717 6.6733 7.1372 7.1827 9.1311 9.1387 10.3518 10.4418 10.9562 10.9847 11.5628 11.7173 13.0222 13.1644 13.4486 13.4853 k = 0.2917 0.5052-0.0000 ( 2751 PWs) bands (ev): -57.5153 -57.5153 -30.4234 -30.4157 -21.8253 -21.7885 -21.7095 -21.7000 -4.5780 -4.5773 -4.5198 -4.5196 -3.7739 -3.7700 -3.7037 -3.7035 -3.6336 -3.6332 -2.1060 -2.0900 -2.0707 -1.9668 5.0648 5.0751 5.2823 5.3141 5.3480 5.3924 6.3137 6.5347 6.6471 6.6491 7.1759 7.2227 9.0033 9.0123 10.3590 10.4656 11.0128 11.0342 11.6703 11.7940 13.0618 13.2065 13.4693 13.5062 k = 0.2865 0.4962-0.0000 ( 2755 PWs) bands (ev): -57.5154 -57.5154 -30.4229 -30.4154 -21.8243 -21.7890 -21.7071 -21.6986 -4.5786 -4.5779 -4.5208 -4.5206 -3.7757 -3.7718 -3.7048 -3.7046 -3.6311 -3.6307 -2.1211 -2.0981 -2.0794 -1.9853 5.0355 5.0359 5.2878 5.3342 5.3539 5.3689 6.3827 6.5976 6.6298 6.6329 7.2152 7.2638 8.8792 8.8898 10.3530 10.4765 11.0728 11.0934 11.7864 11.8858 13.1016 13.2430 13.4938 13.5274 k = 0.2812 0.4871-0.0000 ( 2757 PWs) bands (ev): -57.5155 -57.5155 -30.4223 -30.4149 -21.8231 -21.7893 -21.7046 -21.6971 -4.5793 -4.5785 -4.5219 -4.5217 -3.7776 -3.7739 -3.7058 -3.7055 -3.6287 -3.6283 -2.1383 -2.1073 -2.0891 -2.0062 4.9965 5.0092 5.2837 5.3282 5.3717 5.3723 6.4456 6.5885 6.6187 6.6935 7.2551 7.3060 8.7595 8.7718 10.3355 10.4737 11.1403 11.1631 11.9090 11.9896 13.1403 13.2715 13.5217 13.5479 k = 0.2760 0.4781-0.0000 ( 2759 PWs) bands (ev): -57.5157 -57.5157 -30.4217 -30.4144 -21.8217 -21.7894 -21.7020 -21.6954 -4.5800 -4.5792 -4.5231 -4.5229 -3.7797 -3.7760 -3.7066 -3.7063 -3.6265 -3.6261 -2.1577 -2.1175 -2.0997 -2.0293 4.9579 4.9844 5.2737 5.2993 5.3982 5.4002 6.4892 6.5650 6.6287 6.7707 7.2954 7.3488 8.6446 8.6586 10.3090 10.4589 11.2168 11.2426 12.0366 12.1027 13.1771 13.2908 13.5516 13.5666 k = 0.2708 0.4691-0.0000 ( 2759 PWs) bands (ev): -57.5159 -57.5159 -30.4209 -30.4138 -21.8200 -21.7892 -21.6993 -21.6937 -4.5807 -4.5800 -4.5243 -4.5241 -3.7820 -3.7783 -3.7072 -3.7069 -3.6245 -3.6240 -2.1791 -2.1287 -2.1114 -2.0547 4.9191 4.9605 5.2615 5.2677 5.4305 5.4332 6.5009 6.5416 6.6723 6.8499 7.3358 7.3923 8.5346 8.5503 10.2760 10.4345 11.3025 11.3309 12.1681 12.2225 13.2111 13.3011 13.5809 13.5823 k = 0.2656 0.4601-0.0000 ( 2755 PWs) bands (ev): -57.5160 -57.5160 -30.4200 -30.4131 -21.8181 -21.7888 -21.6966 -21.6920 -4.5815 -4.5808 -4.5255 -4.5254 -3.7843 -3.7807 -3.7078 -3.7074 -3.6227 -3.6223 -2.2026 -2.1410 -2.1240 -2.0822 4.8794 4.9360 5.2367 5.2494 5.4671 5.4699 6.4934 6.5192 6.7366 6.9299 7.3762 7.4362 8.4298 8.4470 10.2388 10.4035 11.3965 11.4267 12.3024 12.3471 13.2415 13.3032 13.5941 13.6067 k = 0.2604 0.4511-0.0000 ( 2755 PWs) bands (ev): -57.5162 -57.5162 -30.4191 -30.4124 -21.8159 -21.7881 -21.6939 -21.6902 -4.5824 -4.5817 -4.5268 -4.5267 -3.7867 -3.7832 -3.7082 -3.7077 -3.6212 -3.6207 -2.2282 -2.1546 -2.1375 -2.1116 4.8380 4.9087 5.2089 5.2388 5.5076 5.5098 6.4798 6.4981 6.8084 7.0102 7.4164 7.4803 8.3302 8.3485 10.1991 10.3682 11.4980 11.5292 12.4388 12.4746 13.2679 13.2980 13.6011 13.6262 k = 0.2552 0.4420-0.0000 ( 2755 PWs) bands (ev): -57.5165 -57.5165 -30.4182 -30.4116 -21.8134 -21.7872 -21.6912 -21.6883 -4.5833 -4.5826 -4.5281 -4.5280 -3.7892 -3.7857 -3.7085 -3.7080 -3.6200 -3.6195 -2.2557 -2.1701 -2.1520 -2.1421 4.7940 4.8762 5.1870 5.2310 5.5517 5.5529 6.4650 6.4784 6.8827 7.0904 7.4563 7.5244 8.2359 8.2547 10.1585 10.3308 11.6062 11.6377 12.5764 12.6032 13.2868 13.2897 13.6028 13.6377 k = 0.2500 0.4330-0.0000 ( 2755 PWs) bands (ev): -57.5167 -57.5167 -30.4171 -30.4108 -21.8107 -21.7861 -21.6885 -21.6864 -4.5843 -4.5836 -4.5294 -4.5293 -3.7918 -3.7883 -3.7087 -3.7082 -3.6190 -3.6186 -2.2852 -2.1903 -2.1707 -2.1673 4.7468 4.8365 5.1733 5.2269 5.5988 5.5990 6.4506 6.4604 6.9579 7.1701 7.4953 7.5685 8.1468 8.1656 10.1180 10.2926 11.7203 11.7516 12.7139 12.7303 13.2710 13.3066 13.5991 13.6406 k = 0.2448 0.4240-0.0000 ( 2759 PWs) bands (ev): -57.5170 -57.5170 -30.4161 -30.4099 -21.8078 -21.7847 -21.6858 -21.6845 -4.5854 -4.5847 -4.5308 -4.5307 -3.7944 -3.7909 -3.7088 -3.7084 -3.6184 -3.6180 -2.3164 -2.2204 -2.1922 -2.1834 4.6957 4.7886 5.1688 5.2274 5.6475 5.6495 6.4374 6.4442 7.0328 7.2490 7.5332 7.6121 8.0634 8.0810 10.0788 10.2551 11.8399 11.8706 12.8498 12.8514 13.2538 13.3184 13.5905 13.6358 k = 0.2396 0.4150-0.0000 ( 2763 PWs) bands (ev): -57.5172 -57.5172 -30.4149 -30.4090 -21.8046 -21.7830 -21.6831 -21.6826 -4.5865 -4.5858 -4.5321 -4.5320 -3.7970 -3.7936 -3.7089 -3.7085 -3.6181 -3.6176 -2.3494 -2.2565 -2.2103 -2.2003 4.6406 4.7329 5.1736 5.2330 5.6987 5.7028 6.4261 6.4300 7.1069 7.3264 7.5691 7.6547 7.9862 8.0011 10.0413 10.2190 11.9646 11.9941 12.9569 12.9807 13.2422 13.3261 13.5781 13.6263 k = 0.2344 0.4059-0.0000 ( 2767 PWs) bands (ev): -57.5175 -57.5175 -30.4137 -30.4080 -21.8011 -21.7810 -21.6806 -21.6804 -4.5877 -4.5870 -4.5335 -4.5334 -3.7997 -3.7963 -3.7090 -3.7085 -3.6180 -3.6175 -2.3840 -2.2953 -2.2280 -2.2180 4.5814 4.6705 5.1867 5.2440 5.7520 5.7586 6.4170 6.4181 7.1797 7.4014 7.6012 7.6947 7.9172 7.9274 10.0064 10.1851 12.0939 12.1220 13.0259 13.0996 13.2524 13.3339 13.5636 13.6181 k = 0.2292 0.3969-0.0000 ( 2763 PWs) bands (ev): -57.5178 -57.5178 -30.4124 -30.4069 -21.7973 -21.7787 -21.6786 -21.6777 -4.5889 -4.5883 -4.5348 -4.5348 -3.8025 -3.7990 -3.7091 -3.7086 -3.6182 -3.6177 -2.4202 -2.3360 -2.2461 -2.2363 4.5183 4.6025 5.2074 5.2605 5.8070 5.8165 6.4088 6.4107 7.2503 7.4713 7.6267 7.7262 7.8615 7.8657 9.9745 10.1540 12.2275 12.2540 13.0413 13.1869 13.2917 13.3559 13.5508 13.6212 k = 0.2240 0.3879-0.0000 ( 2763 PWs) bands (ev): -57.5181 -57.5181 -30.4110 -30.4058 -21.7934 -21.7763 -21.6766 -21.6749 -4.5902 -4.5896 -4.5362 -4.5361 -3.8052 -3.8017 -3.7091 -3.7087 -3.6187 -3.6182 -2.4577 -2.3781 -2.2647 -2.2553 4.4516 4.5301 5.2347 5.2825 5.8630 5.8760 6.4026 6.4078 7.3174 7.5272 7.6440 7.7255 7.8286 7.8403 9.9460 10.1261 12.3650 12.3896 13.0220 13.2176 13.3279 13.4040 13.5500 13.6484 k = 0.2188 0.3789-0.0000 ( 2763 PWs) bands (ev): -57.5184 -57.5184 -30.4096 -30.4046 -21.7892 -21.7735 -21.6745 -21.6722 -4.5916 -4.5910 -4.5375 -4.5375 -3.8080 -3.8045 -3.7092 -3.7087 -3.6194 -3.6189 -2.4964 -2.4216 -2.2838 -2.2748 4.3818 4.4541 5.2680 5.3098 5.9191 5.9361 6.4004 6.4091 7.3784 7.5417 7.6723 7.6840 7.8260 7.8619 9.9212 10.1017 12.5054 12.5286 12.9890 13.2095 13.3371 13.4339 13.5838 13.7004 k = 0.2135 0.3699-0.0000 ( 2751 PWs) bands (ev): -57.5188 -57.5188 -30.4081 -30.4033 -21.7847 -21.7704 -21.6724 -21.6695 -4.5931 -4.5924 -4.5388 -4.5388 -3.8108 -3.8073 -3.7093 -3.7088 -3.6203 -3.6198 -2.5363 -2.4660 -2.3034 -2.2949 4.3092 4.3754 5.3068 5.3423 5.9740 5.9955 6.4032 6.4158 7.4255 7.5091 7.6402 7.7239 7.8467 7.8989 9.9004 10.0810 12.6467 12.6704 12.9526 13.1856 13.3243 13.4285 13.6417 13.7598 k = 0.2083 0.3608-0.0000 ( 2751 PWs) bands (ev): -57.5191 -57.5191 -30.4065 -30.4020 -21.7801 -21.7672 -21.6703 -21.6668 -4.5946 -4.5939 -4.5401 -4.5401 -3.8138 -3.8102 -3.7095 -3.7090 -3.6214 -3.6210 -2.5771 -2.5114 -2.3234 -2.3154 4.2343 4.2947 5.3506 5.3799 6.0260 6.0522 6.4130 6.4296 7.4388 7.4565 7.6251 7.7807 7.8807 7.9398 9.8836 10.0641 12.7776 12.8141 12.9265 13.1545 13.3009 13.4091 13.6912 13.8086 k = 0.2031 0.3518-0.0000 ( 2751 PWs) bands (ev): -57.5195 -57.5195 -30.4050 -30.4007 -21.7753 -21.7638 -21.6681 -21.6641 -4.5962 -4.5955 -4.5415 -4.5415 -3.8167 -3.8132 -3.7097 -3.7092 -3.6226 -3.6223 -2.6188 -2.5576 -2.3438 -2.3363 4.1576 4.2124 5.3991 5.4222 6.0730 6.1035 6.4325 6.4523 7.3968 7.4082 7.6512 7.8337 7.9238 7.9818 9.8711 10.0512 12.8264 12.9575 12.9815 13.1209 13.2759 13.3846 13.7222 13.8388 k = 0.1979 0.3428-0.0000 ( 2755 PWs) bands (ev): -57.5199 -57.5199 -30.4034 -30.3993 -21.7704 -21.7603 -21.6659 -21.6613 -4.5979 -4.5972 -4.5428 -4.5428 -3.8198 -3.8163 -3.7100 -3.7096 -3.6240 -3.6237 -2.6611 -2.6042 -2.3646 -2.3576 4.0795 4.1290 5.4520 5.4690 6.1133 6.1465 6.4642 6.4856 7.3341 7.3550 7.6973 7.8804 7.9736 8.0240 9.8629 10.0422 12.7989 13.0663 13.0983 13.1188 13.2670 13.3579 13.7380 13.8502 k = 0.1927 0.3338-0.0000 ( 2753 PWs) bands (ev): -57.5202 -57.5202 -30.4017 -30.3979 -21.7654 -21.7566 -21.6636 -21.6585 -4.5996 -4.5990 -4.5442 -4.5442 -3.8230 -3.8195 -3.7105 -3.7100 -3.6255 -3.6252 -2.7039 -2.6513 -2.3857 -2.3792 4.0004 4.0451 5.5090 5.5203 6.1458 6.1795 6.5096 6.5302 7.2702 7.2940 7.7486 7.9218 8.0271 8.0661 9.8592 10.0373 12.7618 13.0406 13.1477 13.2425 13.3321 13.3388 13.7479 13.8464 k = 0.1875 0.3248-0.0000 ( 2759 PWs) bands (ev): -57.5206 -57.5206 -30.4001 -30.3965 -21.7604 -21.7528 -21.6612 -21.6557 -4.6015 -4.6009 -4.5456 -4.5455 -3.8264 -3.8228 -3.7110 -3.7106 -3.6270 -3.6267 -2.7470 -2.6985 -2.4070 -2.4010 3.9207 3.9610 5.5698 5.5757 6.1711 6.2032 6.5679 6.5854 7.2056 7.2302 7.8003 7.9598 8.0811 8.1077 9.8599 10.0364 12.7248 13.0057 13.1315 13.2915 13.3733 13.4806 13.7671 13.8322 k = 0.1823 0.3157-0.0000 ( 2759 PWs) bands (ev): -57.5210 -57.5210 -30.3984 -30.3950 -21.7552 -21.7488 -21.6587 -21.6528 -4.6034 -4.6028 -4.5469 -4.5469 -3.8299 -3.8263 -3.7117 -3.7114 -3.6285 -3.6282 -2.7903 -2.7458 -2.4286 -2.4230 3.8408 3.8769 5.6343 5.6351 6.1906 6.2201 6.6364 6.6495 7.1408 7.1655 7.8506 7.9958 8.1336 8.1486 9.8652 10.0395 12.6899 12.9719 13.1025 13.2643 13.4535 13.6337 13.8154 13.8188 k = 0.1771 0.3067-0.0000 ( 2759 PWs) bands (ev): -57.5214 -57.5214 -30.3967 -30.3935 -21.7501 -21.7448 -21.6561 -21.6498 -4.6054 -4.6048 -4.5483 -4.5483 -3.8336 -3.8299 -3.7126 -3.7123 -3.6300 -3.6297 -2.8337 -2.7929 -2.4502 -2.4450 3.7609 3.7933 5.6982 5.7022 6.2060 6.2325 6.7126 6.7202 7.0759 7.1007 7.8988 8.0304 8.1832 8.1885 9.8751 10.0465 12.6581 12.9405 13.0713 13.2341 13.4865 13.7351 13.8504 13.9165 k = 0.1719 0.2977-0.0000 ( 2757 PWs) bands (ev): -57.5218 -57.5218 -30.3949 -30.3919 -21.7449 -21.7407 -21.6533 -21.6467 -4.6076 -4.6070 -4.5497 -4.5497 -3.8375 -3.8338 -3.7137 -3.7133 -3.6313 -3.6310 -2.8769 -2.8397 -2.4719 -2.4672 3.6814 3.7104 5.7648 5.7733 6.2185 6.2423 6.7942 6.7951 7.0113 7.0372 7.9446 8.0641 8.2269 8.2292 9.8896 10.0575 12.6298 12.9121 13.0403 13.2035 13.4843 13.7219 13.9988 14.0433 k = 0.1667 0.2887-0.0000 ( 2757 PWs) bands (ev): -57.5223 -57.5223 -30.3931 -30.3904 -21.7399 -21.7367 -21.6503 -21.6436 -4.6098 -4.6092 -4.5512 -4.5511 -3.8417 -3.8379 -3.7149 -3.7146 -3.6325 -3.6322 -2.9198 -2.8861 -2.4937 -2.4893 3.6026 3.6285 5.8348 5.8474 6.2294 6.2505 6.8672 6.8786 6.9482 6.9809 7.9878 8.0971 8.2637 8.2708 9.9088 10.0724 12.6054 12.8871 13.0104 13.1731 13.4648 13.6877 14.1649 14.1674 k = 0.1615 0.2797-0.0000 ( 2759 PWs) bands (ev): -57.5227 -57.5227 -30.3913 -30.3888 -21.7350 -21.7326 -21.6472 -21.6403 -4.6122 -4.6115 -4.5526 -4.5526 -3.8461 -3.8424 -3.7164 -3.7161 -3.6335 -3.6333 -2.9623 -2.9319 -2.5154 -2.5114 3.5246 3.5477 5.9079 5.9242 6.2392 6.2579 6.8798 6.8807 6.9718 6.9868 8.0285 8.1296 8.2986 8.3078 9.9327 10.0912 12.5851 12.8657 12.9820 13.1431 13.4371 13.6489 14.2370 14.3198 k = 0.1562 0.2706-0.0000 ( 2779 PWs) bands (ev): -57.5232 -57.5232 -30.3897 -30.3873 -21.7304 -21.7288 -21.6440 -21.6369 -4.6147 -4.6140 -4.5541 -4.5541 -3.8509 -3.8472 -3.7180 -3.7178 -3.6344 -3.6342 -3.0042 -2.9768 -2.5370 -2.5334 3.4477 3.4682 5.9839 6.0035 6.2484 6.2650 6.8170 6.8269 7.0623 7.0630 8.0666 8.1616 8.3313 8.3398 9.9612 10.1138 12.5689 12.8481 12.9554 13.1136 13.4057 13.6082 14.2428 14.3962 k = 0.1510 0.2616-0.0000 ( 2783 PWs) bands (ev): -57.5236 -57.5236 -30.3879 -30.3858 -21.7259 -21.7250 -21.6404 -21.6333 -4.6172 -4.6166 -4.5556 -4.5556 -3.8560 -3.8523 -3.7198 -3.7196 -3.6350 -3.6348 -3.0453 -3.0209 -2.5585 -2.5552 3.3721 3.3903 6.0626 6.0850 6.2574 6.2719 6.7539 6.7654 7.1496 7.1556 8.1021 8.1932 8.3619 8.3666 9.9941 10.1402 12.5568 12.8344 12.9309 13.0848 13.3729 13.5667 14.2246 14.3900 k = 0.1458 0.2526-0.0000 ( 2779 PWs) bands (ev): -57.5240 -57.5240 -30.3861 -30.3841 -21.7215 -21.7213 -21.6365 -21.6296 -4.6199 -4.6193 -4.5571 -4.5571 -3.8615 -3.8578 -3.7218 -3.7216 -3.6354 -3.6352 -3.0855 -3.0638 -2.5797 -2.5768 3.2980 3.3141 6.1438 6.1685 6.2662 6.2789 6.6914 6.7034 7.2392 7.2505 8.1350 8.2246 8.3882 8.3904 10.0314 10.1703 12.5488 12.8244 12.9086 13.0568 13.3400 13.5253 14.1977 14.3646 k = 0.1406 0.2436-0.0000 ( 2779 PWs) bands (ev): -57.5244 -57.5244 -30.3843 -30.3825 -21.7177 -21.7175 -21.6325 -21.6256 -4.6228 -4.6222 -4.5587 -4.5586 -3.8674 -3.8637 -3.7239 -3.7237 -3.6355 -3.6354 -3.1247 -3.1055 -2.6007 -2.5981 3.2255 3.2397 6.2272 6.2528 6.2754 6.2859 6.6297 6.6422 7.3303 7.3465 8.1649 8.2559 8.4048 8.4170 10.0728 10.2039 12.5446 12.8181 12.8887 13.0296 13.3081 13.4845 14.1664 14.3330 k = 0.1354 0.2345-0.0000 ( 2775 PWs) bands (ev): -57.5249 -57.5249 -30.3825 -30.3808 -21.7143 -21.7137 -21.6281 -21.6215 -4.6257 -4.6251 -4.5602 -4.5602 -3.8738 -3.8701 -3.7261 -3.7260 -3.6354 -3.6353 -3.1626 -3.1457 -2.6215 -2.6191 3.1548 3.1673 6.2830 6.2925 6.3130 6.3388 6.5692 6.5835 7.4222 7.4432 8.1918 8.2869 8.4165 8.4422 10.1179 10.2408 12.5441 12.8152 12.8713 13.0032 13.2779 13.4446 14.1322 14.2980 k = 0.1302 0.2255-0.0000 ( 2771 PWs) bands (ev): -57.5253 -57.5253 -30.3807 -30.3792 -21.7110 -21.7102 -21.6235 -21.6172 -4.6288 -4.6282 -4.5618 -4.5617 -3.8806 -3.8770 -3.7284 -3.7283 -3.6351 -3.6350 -3.1992 -3.1845 -2.6419 -2.6398 3.0860 3.0969 6.2917 6.2995 6.3996 6.4171 6.5103 6.5339 7.5145 7.5402 8.2152 8.3178 8.4237 8.4666 10.1663 10.2807 12.5470 12.8154 12.8565 12.9779 13.2499 13.4060 14.0958 14.2606 k = 0.1250 0.2165-0.0000 ( 2775 PWs) bands (ev): -57.5257 -57.5257 -30.3789 -30.3776 -21.7080 -21.7070 -21.6187 -21.6128 -4.6320 -4.6315 -4.5634 -4.5633 -3.8879 -3.8844 -3.7309 -3.7308 -3.6347 -3.6346 -3.2344 -3.2217 -2.6618 -2.6600 3.0192 3.0287 6.3002 6.3060 6.4356 6.4489 6.4922 6.5468 7.6067 7.6373 8.2348 8.3484 8.4270 8.4907 10.2176 10.3232 12.5530 12.8183 12.8443 12.9537 13.2246 13.3691 14.0577 14.2211 k = 0.1198 0.2075-0.0000 ( 2763 PWs) bands (ev): -57.5261 -57.5261 -30.3771 -30.3760 -21.7052 -21.7040 -21.6137 -21.6082 -4.6353 -4.6348 -4.5649 -4.5649 -3.8957 -3.8923 -3.7333 -3.7332 -3.6340 -3.6339 -3.2679 -3.2571 -2.6814 -2.6798 2.9545 2.9628 6.3083 6.3109 6.3900 6.3961 6.5804 6.6264 7.6984 7.7340 8.2504 8.3779 8.4277 8.5153 10.2713 10.3680 12.5617 12.8235 12.8350 12.9309 13.2024 13.3342 14.0182 14.1801 k = 0.1146 0.1985-0.0000 ( 2759 PWs) bands (ev): -57.5265 -57.5265 -30.3754 -30.3744 -21.7026 -21.7014 -21.6085 -21.6035 -4.6388 -4.6383 -4.5665 -4.5665 -3.9040 -3.9007 -3.7357 -3.7357 -3.6331 -3.6330 -3.2999 -3.2906 -2.7005 -2.6990 2.8921 2.8993 6.3074 6.3138 6.3393 6.3513 6.6714 6.7157 7.7892 7.8299 8.2618 8.4011 8.4314 8.5408 10.3268 10.4147 12.5728 12.8286 12.8299 12.9103 13.1833 13.3013 13.9776 14.1377 k = 0.1094 0.1894-0.0000 ( 2765 PWs) bands (ev): -57.5269 -57.5269 -30.3738 -30.3729 -21.7003 -21.6991 -21.6033 -21.5987 -4.6424 -4.6419 -4.5681 -4.5681 -3.9128 -3.9097 -3.7382 -3.7382 -3.6321 -3.6321 -3.3300 -3.3223 -2.7190 -2.7178 2.8319 2.8381 6.2727 6.2800 6.3277 6.3390 6.7633 6.8073 7.8787 7.9248 8.2692 8.4047 8.4519 8.5675 10.3836 10.4627 12.5860 12.8251 12.8358 12.8935 13.1677 13.2708 13.9361 14.0943 k = 0.1042 0.1804-0.0000 ( 2773 PWs) bands (ev): -57.5273 -57.5273 -30.3723 -30.3715 -21.6982 -21.6970 -21.5980 -21.5939 -4.6461 -4.6456 -4.5697 -4.5697 -3.9220 -3.9191 -3.7407 -3.7407 -3.6310 -3.6310 -3.3583 -3.3519 -2.7370 -2.7359 2.7742 2.7795 6.2239 6.2286 6.3346 6.3424 6.8557 6.8996 7.9664 8.0181 8.2731 8.3973 8.4812 8.5956 10.4411 10.5117 12.6008 12.8246 12.8369 12.8845 13.1555 13.2429 13.8939 14.0500 k = 0.0990 0.1714-0.0000 ( 2771 PWs) bands (ev): -57.5277 -57.5277 -30.3707 -30.3700 -21.6962 -21.6952 -21.5926 -21.5890 -4.6499 -4.6495 -4.5713 -4.5712 -3.9317 -3.9290 -3.7432 -3.7431 -3.6298 -3.6297 -3.3848 -3.3795 -2.7544 -2.7535 2.7189 2.7234 6.1743 6.1779 6.3421 6.3481 6.9482 6.9921 8.0517 8.1093 8.2741 8.3865 8.5124 8.6251 10.4988 10.5612 12.6169 12.8272 12.8297 12.8870 13.1468 13.2176 13.8513 14.0051 k = 0.0938 0.1624-0.0000 ( 2775 PWs) bands (ev): -57.5280 -57.5280 -30.3692 -30.3686 -21.6945 -21.6936 -21.5873 -21.5841 -4.6538 -4.6534 -4.5728 -4.5728 -3.9417 -3.9392 -3.7455 -3.7455 -3.6285 -3.6285 -3.4093 -3.4050 -2.7711 -2.7704 2.6661 2.6699 6.1261 6.1290 6.3493 6.3542 7.0405 7.0842 8.1332 8.1974 8.2737 8.3745 8.5442 8.6556 10.5561 10.6106 12.6340 12.8180 12.8329 12.8967 13.1416 13.1951 13.8086 13.9599 k = 0.0885 0.1534-0.0000 ( 2773 PWs) bands (ev): -57.5284 -57.5284 -30.3677 -30.3672 -21.6929 -21.6921 -21.5820 -21.5792 -4.6577 -4.6573 -4.5743 -4.5743 -3.9521 -3.9498 -3.7479 -3.7479 -3.6271 -3.6271 -3.4319 -3.4284 -2.7872 -2.7865 2.6159 2.6191 6.0796 6.0820 6.3563 6.3602 7.1321 7.1754 8.2051 8.2779 8.2787 8.3654 8.5762 8.6871 10.6126 10.6596 12.6516 12.8060 12.8418 12.9095 13.1397 13.1755 13.7661 13.9145 k = 0.0833 0.1443-0.0000 ( 2781 PWs) bands (ev): -57.5287 -57.5287 -30.3664 -30.3660 -21.6916 -21.6908 -21.5768 -21.5745 -4.6617 -4.6614 -4.5758 -4.5758 -3.9626 -3.9606 -3.7502 -3.7502 -3.6257 -3.6257 -3.4526 -3.4499 -2.8026 -2.8020 2.5684 2.5710 6.0351 6.0371 6.3629 6.3661 7.2228 7.2654 8.2386 8.3158 8.3223 8.3901 8.6083 8.7193 10.6676 10.7075 12.6693 12.7954 12.8537 12.9235 13.1410 13.1590 13.7240 13.8693 k = 0.0781 0.1353-0.0000 ( 2781 PWs) bands (ev): -57.5291 -57.5291 -30.3651 -30.3647 -21.6903 -21.6897 -21.5718 -21.5698 -4.6657 -4.6654 -4.5772 -4.5772 -3.9733 -3.9715 -3.7524 -3.7524 -3.6243 -3.6243 -3.4715 -3.4693 -2.8172 -2.8167 2.5235 2.5256 5.9928 5.9944 6.3691 6.3717 7.3119 7.3537 8.2384 8.3156 8.3829 8.4612 8.6404 8.7518 10.7207 10.7541 12.6869 12.7868 12.8687 12.9380 13.1454 13.1455 13.6828 13.8245 k = 0.0729 0.1263-0.0000 ( 2781 PWs) bands (ev): -57.5294 -57.5294 -30.3638 -30.3635 -21.6892 -21.6886 -21.5669 -21.5653 -4.6697 -4.6694 -4.5786 -4.5786 -3.9840 -3.9825 -3.7545 -3.7545 -3.6228 -3.6228 -3.4885 -3.4869 -2.8310 -2.8306 2.4813 2.4830 5.9528 5.9540 6.3749 6.3770 7.3991 7.4398 8.2314 8.3010 8.4524 8.5361 8.6724 8.7844 10.7715 10.7990 12.7040 12.7806 12.8864 12.9524 13.1352 13.1526 13.6428 13.7803 k = 0.0677 0.1173-0.0000 ( 2785 PWs) bands (ev): -57.5297 -57.5297 -30.3626 -30.3624 -21.6882 -21.6878 -21.5622 -21.5609 -4.6736 -4.6734 -4.5800 -4.5800 -3.9946 -3.9933 -3.7566 -3.7566 -3.6214 -3.6214 -3.5039 -3.5026 -2.8440 -2.8437 2.4419 2.4432 5.9151 5.9161 6.3803 6.3820 7.4839 7.5231 8.2226 8.2852 8.5192 8.6081 8.7043 8.8169 10.8196 10.8417 12.7204 12.7769 12.9065 12.9665 13.1283 13.1622 13.6045 13.7372 k = 0.0625 0.1083-0.0000 ( 2779 PWs) bands (ev): -57.5299 -57.5299 -30.3615 -30.3613 -21.6873 -21.6869 -21.5577 -21.5567 -4.6774 -4.6772 -4.5812 -4.5812 -4.0049 -4.0039 -3.7585 -3.7585 -3.6200 -3.6200 -3.5176 -3.5166 -2.8562 -2.8560 2.4052 2.4063 5.8799 5.8807 6.3852 6.3865 7.5657 7.6031 8.2133 8.2693 8.5825 8.6753 8.7364 8.8488 10.8646 10.8820 12.7358 12.7755 12.9284 12.9800 13.1247 13.1737 13.5686 13.6955 k = 0.0573 0.0992-0.0000 ( 2783 PWs) bands (ev): -57.5302 -57.5302 -30.3605 -30.3603 -21.6865 -21.6863 -21.5535 -21.5527 -4.6811 -4.6810 -4.5824 -4.5824 -4.0150 -4.0141 -3.7603 -3.7603 -3.6186 -3.6186 -3.5297 -3.5290 -2.8675 -2.8673 2.3714 2.3722 5.8472 5.8478 6.3897 6.3907 7.6439 7.6793 8.2041 8.2539 8.6415 8.7349 8.7707 8.8799 10.9063 10.9196 12.7503 12.7765 12.9512 12.9929 13.1249 13.1865 13.5356 13.6555 k = 0.0521 0.0902-0.0000 ( 2783 PWs) bands (ev): -57.5304 -57.5304 -30.3595 -30.3594 -21.6859 -21.6857 -21.5496 -21.5490 -4.6847 -4.6846 -4.5835 -4.5835 -4.0245 -4.0239 -3.7620 -3.7620 -3.6173 -3.6173 -3.5404 -3.5399 -2.8779 -2.8778 2.3404 2.3411 5.8172 5.8176 6.3938 6.3945 7.7179 7.7508 8.1955 8.2394 8.6961 8.7800 8.8135 8.9100 10.9444 10.9543 12.7635 12.7795 12.9739 13.0050 13.1291 13.1997 13.5064 13.6177 k = 0.0469 0.0812-0.0000 ( 2783 PWs) bands (ev): -57.5306 -57.5306 -30.3586 -30.3586 -21.6853 -21.6851 -21.5460 -21.5456 -4.6881 -4.6880 -4.5846 -4.5846 -4.0335 -4.0330 -3.7636 -3.7636 -3.6161 -3.6161 -3.5497 -3.5494 -2.8875 -2.8874 2.3124 2.3128 5.7898 5.7901 6.3974 6.3979 7.7869 7.8170 8.1880 8.2261 8.7458 8.8122 8.8626 8.9386 10.9788 10.9859 12.7756 12.7843 12.9951 13.0164 13.1374 13.2123 13.4820 13.5827 k = 0.0417 0.0722-0.0000 ( 2795 PWs) bands (ev): -57.5309 -57.5309 -30.3580 -30.3579 -21.6848 -21.6847 -21.5428 -21.5425 -4.6913 -4.6912 -4.5855 -4.5855 -4.0418 -4.0415 -3.7651 -3.7651 -3.6150 -3.6150 -3.5578 -3.5576 -2.8960 -2.8960 2.2872 2.2875 5.7651 5.7654 6.4005 6.4009 7.8503 7.8770 8.1819 8.2143 8.7905 8.8395 8.9095 8.9656 11.0094 11.0143 12.7865 12.7902 13.0139 13.0269 13.1499 13.2228 13.4633 13.5509 k = 0.0365 0.0631-0.0000 ( 2799 PWs) bands (ev): -57.5311 -57.5311 -30.3573 -30.3573 -21.6844 -21.6844 -21.5399 -21.5397 -4.6941 -4.6941 -4.5864 -4.5864 -4.0494 -4.0491 -3.7664 -3.7664 -3.6139 -3.6139 -3.5647 -3.5646 -2.9036 -2.9036 2.2649 2.2651 5.7433 5.7434 6.4033 6.4035 7.9071 7.9299 8.1779 8.2045 8.8299 8.8640 8.9516 8.9907 11.0362 11.0393 12.7961 12.7970 13.0295 13.0366 13.1657 13.2303 13.4513 13.5232 k = 0.0312 0.0541-0.0000 ( 2793 PWs) bands (ev): -57.5312 -57.5312 -30.3566 -30.3566 -21.6840 -21.6840 -21.5373 -21.5372 -4.6967 -4.6967 -4.5871 -4.5871 -4.0561 -4.0559 -3.7675 -3.7675 -3.6130 -3.6130 -3.5706 -3.5705 -2.9103 -2.9103 2.2455 2.2457 5.7242 5.7243 6.4057 6.4058 7.9564 7.9747 8.1765 8.1973 8.8639 8.8861 8.9882 9.0136 11.0592 11.0611 12.8040 12.8045 13.0420 13.0455 13.1828 13.2342 13.4460 13.5003 k = 0.0260 0.0451-0.0000 ( 2793 PWs) bands (ev): -57.5313 -57.5313 -30.3561 -30.3561 -21.6837 -21.6837 -21.5351 -21.5350 -4.6990 -4.6989 -4.5878 -4.5878 -4.0618 -4.0617 -3.7685 -3.7685 -3.6122 -3.6122 -3.5754 -3.5753 -2.9159 -2.9159 2.2291 2.2292 5.7080 5.7081 6.4076 6.4077 7.9971 8.0103 8.1784 8.1931 8.8923 8.9055 9.0190 9.0341 11.0784 11.0795 12.8108 12.8116 13.0520 13.0534 13.1991 13.2347 13.4464 13.4828 k = 0.0208 0.0361-0.0000 ( 2795 PWs) bands (ev): -57.5314 -57.5314 -30.3557 -30.3557 -21.6835 -21.6835 -21.5333 -21.5333 -4.7008 -4.7008 -4.5883 -4.5883 -4.0667 -4.0666 -3.7693 -3.7693 -3.6115 -3.6115 -3.5792 -3.5792 -2.9206 -2.9206 2.2157 2.2157 5.6947 5.6948 6.4092 6.4093 8.0284 8.0365 8.1836 8.1924 8.9152 8.9221 9.0438 9.0518 11.0940 11.0945 12.8169 12.8175 13.0599 13.0604 13.2124 13.2332 13.4506 13.4714 k = 0.0156 0.0271-0.0000 ( 2795 PWs) bands (ev): -57.5315 -57.5315 -30.3554 -30.3554 -21.6833 -21.6833 -21.5319 -21.5319 -4.7023 -4.7023 -4.5887 -4.5887 -4.0704 -4.0704 -3.7699 -3.7699 -3.6110 -3.6110 -3.5822 -3.5822 -2.9242 -2.9242 2.2052 2.2052 5.6844 5.6844 6.4104 6.4104 8.0500 8.0538 8.1910 8.1951 8.9326 8.9355 9.0629 9.0663 11.1060 11.1062 12.8218 12.8222 13.0660 13.0661 13.2214 13.2310 13.4563 13.4657 k = 0.0104 0.0180-0.0000 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3552 -30.3552 -21.6832 -21.6832 -21.5309 -21.5309 -4.7034 -4.7034 -4.5890 -4.5890 -4.0732 -4.0732 -3.7704 -3.7704 -3.6106 -3.6106 -3.5842 -3.5842 -2.9268 -2.9268 2.1978 2.1978 5.6770 5.6770 6.4113 6.4113 8.0630 8.0642 8.1984 8.1997 8.9446 8.9455 9.0762 9.0772 11.1144 11.1145 12.8255 12.8256 13.0704 13.0704 13.2262 13.2292 13.4614 13.4643 k = 0.0052 0.0090-0.0000 ( 2791 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5302 -21.5302 -4.7040 -4.7040 -4.5892 -4.5892 -4.0748 -4.0748 -3.7706 -3.7706 -3.6104 -3.6104 -3.5855 -3.5855 -2.9283 -2.9283 2.1933 2.1933 5.6725 5.6725 6.4118 6.4118 8.0696 8.0697 8.2037 8.2039 8.9517 8.9518 9.0840 9.0841 11.1195 11.1195 12.8277 12.8277 13.0731 13.0731 13.2280 13.2284 13.4647 13.4651 k = 0.0000 0.0000 0.0000 ( 2783 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6831 -21.6831 -21.5300 -21.5300 -4.7043 -4.7043 -4.5892 -4.5892 -4.0754 -4.0754 -3.7707 -3.7707 -3.6103 -3.6103 -3.5859 -3.5859 -2.9288 -2.9288 2.1918 2.1918 5.6710 5.6710 6.4120 6.4120 8.0715 8.0715 8.2056 8.2056 8.9539 8.9539 9.0865 9.0865 11.1212 11.1212 12.8284 12.8284 13.0740 13.0740 13.2282 13.2282 13.4658 13.4658 k = 0.0000 0.0000 0.0000 ( 2783 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6831 -21.6831 -21.5300 -21.5300 -4.7043 -4.7043 -4.5892 -4.5892 -4.0754 -4.0754 -3.7707 -3.7707 -3.6103 -3.6103 -3.5859 -3.5859 -2.9288 -2.9288 2.1918 2.1918 5.6710 5.6710 6.4120 6.4120 8.0715 8.0715 8.2056 8.2056 8.9539 8.9539 9.0865 9.0865 11.1212 11.1212 12.8284 12.8284 13.0740 13.0740 13.2282 13.2282 13.4658 13.4658 k = 0.0000 0.0000 0.0105 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.7038 -4.7038 -4.5893 -4.5893 -4.0752 -4.0752 -3.7707 -3.7707 -3.6103 -3.6103 -3.5876 -3.5876 -2.9279 -2.9279 2.1952 2.1952 5.6343 5.6343 6.4507 6.4507 8.0714 8.0716 8.2057 8.2057 8.9538 8.9538 9.0861 9.0866 11.1150 11.1150 12.8270 12.8305 13.0744 13.0744 13.2278 13.2278 13.4638 13.4674 k = 0.0000 0.0000 0.0211 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.7025 -4.7025 -4.5893 -4.5893 -4.0745 -4.0745 -3.7707 -3.7707 -3.6103 -3.6103 -3.5928 -3.5928 -2.9252 -2.9252 2.2053 2.2053 5.5409 5.5409 6.5500 6.5500 8.0715 8.0719 8.2059 8.2059 8.9535 8.9535 9.0855 9.0865 11.0964 11.0964 12.8263 12.8332 13.0756 13.0756 13.2265 13.2265 13.4615 13.4687 k = 0.0000 0.0000 0.0316 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.7004 -4.7004 -4.5893 -4.5893 -4.0734 -4.0734 -3.7707 -3.7707 -3.6103 -3.6103 -3.6013 -3.6013 -2.9208 -2.9208 2.2222 2.2222 5.4174 5.4174 6.6833 6.6833 8.0716 8.0723 8.2064 8.2064 8.9529 8.9529 9.0847 9.0861 11.0654 11.0654 12.8263 12.8365 13.0775 13.0775 13.2244 13.2244 13.4589 13.4695 k = 0.0000 0.0000 0.0421 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.6975 -4.6975 -4.5893 -4.5893 -4.0719 -4.0719 -3.7707 -3.7707 -3.6127 -3.6127 -3.6103 -3.6103 -2.9150 -2.9150 2.2457 2.2457 5.2801 5.2801 6.8345 6.8345 8.0719 8.0727 8.2070 8.2070 8.9521 8.9521 9.0836 9.0854 11.0223 11.0223 12.8270 12.8402 13.0802 13.0802 13.2215 13.2215 13.4562 13.4698 k = 0.0000 0.0000 0.0527 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6831 -21.6831 -21.5301 -21.5301 -4.6939 -4.6939 -4.5893 -4.5893 -4.0699 -4.0699 -3.7707 -3.7707 -3.6267 -3.6267 -3.6103 -3.6103 -2.9080 -2.9080 2.2757 2.2757 5.1367 5.1367 6.9954 6.9954 8.0723 8.0733 8.2078 8.2078 8.9511 8.9511 9.0825 9.0846 10.9671 10.9671 12.8284 12.8442 13.0834 13.0834 13.2179 13.2179 13.4533 13.4697 k = 0.0000 0.0000 0.0632 ( 2795 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6831 -21.6831 -21.5301 -21.5301 -4.6896 -4.6896 -4.5893 -4.5893 -4.0674 -4.0674 -3.7707 -3.7707 -3.6428 -3.6428 -3.6103 -3.6103 -2.9003 -2.9003 2.3121 2.3121 4.9915 4.9915 7.1622 7.1622 8.0728 8.0739 8.2088 8.2088 8.9499 8.9499 9.0811 9.0836 10.9002 10.9002 12.8305 12.8485 13.0873 13.0873 13.2136 13.2136 13.4505 13.4692 k = 0.0000 0.0000 0.0737 ( 2801 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.6849 -4.6849 -4.5893 -4.5893 -4.0645 -4.0645 -3.7707 -3.7707 -3.6606 -3.6606 -3.6104 -3.6104 -2.8920 -2.8920 2.3545 2.3545 4.8464 4.8464 7.3325 7.3325 8.0734 8.0746 8.2101 8.2101 8.9487 8.9487 9.0797 9.0824 10.8219 10.8219 12.8332 12.8529 13.0916 13.0916 13.2087 13.2087 13.4477 13.4682 k = 0.0000 0.0000 0.0843 ( 2801 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.6797 -4.6797 -4.5893 -4.5893 -4.0610 -4.0610 -3.7707 -3.7707 -3.6797 -3.6797 -3.6104 -3.6104 -2.8836 -2.8836 2.4028 2.4028 4.7031 4.7031 7.5048 7.5048 8.0740 8.0753 8.2117 8.2117 8.9473 8.9473 9.0783 9.0810 10.7328 10.7328 12.8364 12.8573 13.0962 13.0962 13.2034 13.2034 13.4450 13.4667 k = 0.0000 0.0000 0.0948 ( 2801 PWs) bands (ev): -57.5316 -57.5316 -30.3550 -30.3550 -21.6831 -21.6831 -21.5301 -21.5301 -4.6743 -4.6743 -4.5893 -4.5893 -4.0571 -4.0571 -3.7708 -3.7708 -3.6994 -3.6994 -3.6104 -3.6104 -2.8752 -2.8752 2.4566 2.4566 4.5624 4.5624 7.6777 7.6777 8.0747 8.0759 8.2138 8.2138 8.9460 8.9460 9.0768 9.0796 10.6334 10.6334 12.8401 12.8615 13.1011 13.1011 13.1977 13.1977 13.4426 13.4649 k = 0.0000 0.0000 0.1053 ( 2783 PWs) bands (ev): -57.5316 -57.5316 -30.3548 -30.3548 -21.6830 -21.6830 -21.5300 -21.5300 -4.6688 -4.6688 -4.5893 -4.5893 -4.0526 -4.0526 -3.7707 -3.7707 -3.7194 -3.7194 -3.6103 -3.6103 -2.8671 -2.8671 2.5153 2.5153 4.4254 4.4254 7.8497 7.8497 8.0754 8.0766 8.2173 8.2173 8.9446 8.9446 9.0754 9.0782 10.5248 10.5248 12.8441 12.8654 13.1061 13.1061 13.1920 13.1920 13.4406 13.4627 k = 0.0000 0.0000 0.1159 ( 2783 PWs) bands (ev): -57.5316 -57.5316 -30.3548 -30.3548 -21.6830 -21.6830 -21.5300 -21.5300 -4.6634 -4.6634 -4.5893 -4.5893 -4.0478 -4.0478 -3.7707 -3.7707 -3.7392 -3.7392 -3.6103 -3.6103 -2.8595 -2.8595 2.5784 2.5784 4.2929 4.2929 8.0166 8.0166 8.0761 8.0773 8.2252 8.2252 8.9433 8.9433 9.0741 9.0768 10.4079 10.4079 12.8483 12.8688 13.1111 13.1111 13.1861 13.1861 13.4389 13.4602 k = 0.0000 0.0000 0.1264 ( 2777 PWs) bands (ev): -57.5316 -57.5316 -30.3548 -30.3548 -21.6829 -21.6829 -21.5299 -21.5299 -4.6582 -4.6582 -4.5893 -4.5893 -4.0426 -4.0426 -3.7707 -3.7707 -3.7582 -3.7582 -3.6103 -3.6103 -2.8526 -2.8526 2.6449 2.6449 4.1660 4.1660 8.0767 8.0778 8.1526 8.1526 8.2624 8.2624 8.9422 8.9422 9.0729 9.0754 10.2839 10.2839 12.8526 12.8718 13.1159 13.1159 13.1805 13.1805 13.4377 13.4575 k = 0.0000 0.0000 0.1369 ( 2777 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6829 -21.6829 -21.5299 -21.5299 -4.6535 -4.6535 -4.5893 -4.5893 -4.0373 -4.0373 -3.7759 -3.7759 -3.7707 -3.7707 -3.6103 -3.6103 -2.8466 -2.8466 2.7135 2.7135 4.0461 4.0461 8.0774 8.0783 8.1942 8.1942 8.3908 8.3908 8.9413 8.9413 9.0719 9.0740 10.1546 10.1546 12.8570 12.8740 13.1204 13.1204 13.1751 13.1751 13.4369 13.4546 k = 0.0000 0.0000 0.1474 ( 2777 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6829 -21.6829 -21.5299 -21.5299 -4.6493 -4.6493 -4.5893 -4.5893 -4.0320 -4.0320 -3.7919 -3.7919 -3.7707 -3.7707 -3.6103 -3.6103 -2.8415 -2.8415 2.7820 2.7820 3.9355 3.9355 8.0779 8.0787 8.2024 8.2024 8.5474 8.5474 8.9407 8.9407 9.0710 9.0729 10.0224 10.0224 12.8611 12.8755 13.1246 13.1246 13.1703 13.1703 13.4367 13.4517 k = 0.0000 0.0000 0.1580 ( 2794 PWs) bands (ev): -57.5316 -57.5316 -30.3549 -30.3549 -21.6830 -21.6830 -21.5300 -21.5300 -4.6460 -4.6460 -4.5893 -4.5893 -4.0272 -4.0272 -3.8053 -3.8053 -3.7708 -3.7708 -3.6104 -3.6104 -2.8375 -2.8375 2.8473 2.8473 3.8375 3.8375 8.0784 8.0790 8.2056 8.2056 8.6997 8.6997 8.9410 8.9410 9.0704 9.0718 9.8912 9.8912 12.8650 12.8763 13.1282 13.1282 13.1661 13.1661 13.4371 13.4488 k = 0.0000 0.0000 0.1685 ( 2770 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6828 -21.6828 -21.5299 -21.5299 -4.6434 -4.6434 -4.5893 -4.5893 -4.0232 -4.0232 -3.8156 -3.8156 -3.7707 -3.7707 -3.6103 -3.6103 -2.8345 -2.8345 2.9039 2.9039 3.7576 3.7576 8.0788 8.0792 8.2072 8.2072 8.8345 8.8345 8.9443 8.9443 9.0700 9.0710 9.7689 9.7689 12.8685 12.8762 13.1311 13.1311 13.1628 13.1628 13.4380 13.4460 k = 0.0000 0.0000 0.1790 ( 2758 PWs) bands (ev): -57.5315 -57.5315 -30.3546 -30.3546 -21.6827 -21.6827 -21.5299 -21.5299 -4.6418 -4.6418 -4.5893 -4.5893 -4.0205 -4.0205 -3.8220 -3.8220 -3.7707 -3.7707 -3.6103 -3.6103 -2.8327 -2.8327 2.9439 2.9439 3.7035 3.7035 8.0791 8.0793 8.2079 8.2079 8.9150 8.9150 8.9698 8.9698 9.0699 9.0704 9.6724 9.6724 12.8714 12.8754 13.1330 13.1330 13.1606 13.1606 13.4394 13.4435 k = 0.0000 0.0000 0.1896 ( 2770 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6828 -21.6828 -21.5299 -21.5299 -4.6413 -4.6413 -4.5893 -4.5893 -4.0196 -4.0196 -3.8243 -3.8243 -3.7707 -3.7707 -3.6103 -3.6103 -2.8321 -2.8321 2.9586 2.9586 3.6841 3.6841 8.0793 8.0793 8.2082 8.2082 8.9256 8.9256 9.0019 9.0019 9.0700 9.0700 9.6329 9.6329 12.8737 12.8737 13.1337 13.1337 13.1598 13.1598 13.4412 13.4412 k = 0.0000 0.0000 0.1896 ( 2770 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6828 -21.6828 -21.5299 -21.5299 -4.6413 -4.6413 -4.5893 -4.5893 -4.0196 -4.0196 -3.8243 -3.8243 -3.7707 -3.7707 -3.6103 -3.6103 -2.8321 -2.8321 2.9586 2.9586 3.6841 3.6841 8.0793 8.0793 8.2082 8.2082 8.9256 8.9256 9.0019 9.0019 9.0700 9.0700 9.6329 9.6329 12.8737 12.8737 13.1337 13.1337 13.1598 13.1598 13.4412 13.4412 k = 0.0091 0.0052 0.1896 ( 2768 PWs) bands (ev): -57.5315 -57.5315 -30.3547 -30.3547 -21.6828 -21.6828 -21.5301 -21.5301 -4.6412 -4.6412 -4.5892 -4.5892 -4.0185 -4.0185 -3.8242 -3.8242 -3.7706 -3.7706 -3.6104 -3.6104 -2.8316 -2.8316 2.9598 2.9598 3.6856 3.6856 8.0774 8.0774 8.2064 8.2064 8.9152 8.9152 9.0008 9.0008 9.0760 9.0760 9.6338 9.6338 12.8689 12.8689 13.1261 13.1261 13.1633 13.1633 13.4414 13.4414 k = 0.0182 0.0105 0.1896 ( 2766 PWs) bands (ev): -57.5315 -57.5315 -30.3548 -30.3548 -21.6829 -21.6829 -21.5307 -21.5307 -4.6410 -4.6410 -4.5890 -4.5890 -4.0153 -4.0153 -3.8241 -3.8241 -3.7704 -3.7704 -3.6105 -3.6105 -2.8300 -2.8300 2.9635 2.9635 3.6899 3.6899 8.0713 8.0713 8.2017 8.2017 8.8889 8.8889 8.9961 8.9961 9.0905 9.0905 9.6365 9.6365 12.8540 12.8540 13.1092 13.1092 13.1697 13.1697 13.4422 13.4422 k = 0.0273 0.0157 0.1896 ( 2762 PWs) bands (ev): -57.5314 -57.5314 -30.3550 -30.3550 -21.6830 -21.6830 -21.5317 -21.5317 -4.6406 -4.6406 -4.5887 -4.5887 -4.0099 -4.0099 -3.8238 -3.8238 -3.7699 -3.7699 -3.6108 -3.6108 -2.8273 -2.8273 2.9695 2.9695 3.6971 3.6971 8.0593 8.0593 8.1960 8.1960 8.8528 8.8528 8.9871 8.9871 9.1083 9.1083 9.6410 9.6410 12.8284 12.8284 13.0889 13.0889 13.1766 13.1766 13.4448 13.4448 k = 0.0364 0.0210 0.1896 ( 2766 PWs) bands (ev): -57.5314 -57.5314 -30.3554 -30.3554 -21.6832 -21.6832 -21.5332 -21.5332 -4.6401 -4.6401 -4.5883 -4.5883 -4.0024 -4.0024 -3.8235 -3.8235 -3.7692 -3.7692 -3.6112 -3.6112 -2.8236 -2.8236 2.9780 2.9780 3.7071 3.7071 8.0392 8.0392 8.1915 8.1915 8.8105 8.8105 8.9738 8.9738 9.1257 9.1257 9.6473 9.6473 12.7919 12.7919 13.0688 13.0688 13.1842 13.1842 13.4500 13.4500 k = 0.0455 0.0262 0.1896 ( 2778 PWs) bands (ev): -57.5313 -57.5313 -30.3559 -30.3559 -21.6835 -21.6835 -21.5351 -21.5351 -4.6395 -4.6395 -4.5878 -4.5878 -3.9928 -3.9928 -3.8230 -3.8230 -3.7684 -3.7684 -3.6117 -3.6117 -2.8188 -2.8188 2.9888 2.9888 3.7200 3.7200 8.0095 8.0095 8.1901 8.1901 8.7636 8.7636 8.9565 8.9565 9.1412 9.1412 9.6552 9.6552 12.7451 12.7451 13.0510 13.0510 13.1925 13.1925 13.4583 13.4583 k = 0.0545 0.0315 0.1896 ( 2778 PWs) bands (ev): -57.5311 -57.5311 -30.3565 -30.3565 -21.6838 -21.6838 -21.5372 -21.5372 -4.6387 -4.6387 -4.5871 -4.5871 -3.9811 -3.9811 -3.8223 -3.8223 -3.7674 -3.7674 -3.6123 -3.6123 -2.8129 -2.8129 3.0021 3.0021 3.7357 3.7357 7.9703 7.9703 8.1922 8.1922 8.7128 8.7128 8.9356 8.9356 9.1540 9.1540 9.6648 9.6648 12.6900 12.6900 13.0359 13.0359 13.2015 13.2015 13.4703 13.4703 k = 0.0636 0.0367 0.1896 ( 2782 PWs) bands (ev): -57.5310 -57.5310 -30.3571 -30.3571 -21.6842 -21.6842 -21.5398 -21.5398 -4.6378 -4.6378 -4.5863 -4.5863 -3.9675 -3.9675 -3.8215 -3.8215 -3.7662 -3.7662 -3.6129 -3.6129 -2.8061 -2.8061 3.0178 3.0178 3.7541 3.7541 7.9221 7.9221 8.1975 8.1975 8.6586 8.6586 8.9113 8.9113 9.1635 9.1635 9.6760 9.6760 12.6285 12.6285 13.0229 13.0229 13.2111 13.2111 13.4862 13.4862 k = 0.0727 0.0420 0.1896 ( 2786 PWs) bands (ev): -57.5308 -57.5308 -30.3578 -30.3578 -21.6847 -21.6847 -21.5428 -21.5428 -4.6368 -4.6368 -4.5855 -4.5855 -3.9520 -3.9520 -3.8204 -3.8204 -3.7648 -3.7648 -3.6137 -3.6137 -2.7982 -2.7982 3.0360 3.0360 3.7752 3.7752 7.8660 7.8660 8.2055 8.2055 8.6012 8.6012 8.8839 8.8839 9.1698 9.1698 9.6887 9.6887 12.5626 12.5626 13.0117 13.0117 13.2213 13.2213 13.5062 13.5062 k = 0.0818 0.0472 0.1896 ( 2790 PWs) bands (ev): -57.5306 -57.5306 -30.3587 -30.3587 -21.6852 -21.6852 -21.5461 -21.5461 -4.6357 -4.6357 -4.5845 -4.5845 -3.9348 -3.9348 -3.8189 -3.8189 -3.7633 -3.7633 -3.6144 -3.6144 -2.7892 -2.7892 3.0565 3.0565 3.7990 3.7990 7.8030 7.8030 8.2155 8.2155 8.5410 8.5410 8.8535 8.8535 9.1727 9.1727 9.7026 9.7026 12.4936 12.4936 13.0019 13.0019 13.2322 13.2322 13.5303 13.5303 k = 0.0909 0.0525 0.1896 ( 2790 PWs) bands (ev): -57.5304 -57.5304 -30.3596 -30.3596 -21.6858 -21.6858 -21.5497 -21.5497 -4.6345 -4.6345 -4.5834 -4.5834 -3.9161 -3.9161 -3.8168 -3.8168 -3.7615 -3.7615 -3.6152 -3.6152 -2.7793 -2.7793 3.0795 3.0795 3.8253 3.8253 7.7339 7.7339 8.2272 8.2272 8.4782 8.4782 8.8205 8.8205 9.1723 9.1723 9.7177 9.7177 12.4228 12.4228 12.9931 12.9931 13.2441 13.2441 13.5582 13.5582 k = 0.1000 0.0577 0.1896 ( 2782 PWs) bands (ev): -57.5302 -57.5302 -30.3604 -30.3604 -21.6864 -21.6864 -21.5534 -21.5534 -4.6333 -4.6333 -4.5822 -4.5822 -3.8965 -3.8965 -3.8137 -3.8137 -3.7596 -3.7596 -3.6159 -3.6159 -2.7684 -2.7684 3.1049 3.1049 3.8542 3.8542 7.6594 7.6594 8.2399 8.2399 8.4133 8.4133 8.7851 8.7851 9.1687 9.1687 9.7337 9.7337 12.3514 12.3514 12.9853 12.9853 13.2574 13.2574 13.5896 13.5896 k = 0.1091 0.0630 0.1896 ( 2782 PWs) bands (ev): -57.5299 -57.5299 -30.3615 -30.3615 -21.6872 -21.6872 -21.5576 -21.5576 -4.6319 -4.6319 -4.5809 -4.5809 -3.8770 -3.8770 -3.8087 -3.8087 -3.7575 -3.7575 -3.6166 -3.6166 -2.7565 -2.7565 3.1327 3.1327 3.8854 3.8854 7.5803 7.5803 8.2516 8.2516 8.3481 8.3481 8.7476 8.7476 9.1622 9.1622 9.7504 9.7504 12.2802 12.2802 12.9785 12.9785 13.2722 13.2722 13.6241 13.6241 k = 0.1182 0.0682 0.1896 ( 2778 PWs) bands (ev): -57.5296 -57.5296 -30.3626 -30.3626 -21.6880 -21.6880 -21.5619 -21.5619 -4.6305 -4.6305 -4.5796 -4.5796 -3.8595 -3.8595 -3.7999 -3.7999 -3.7552 -3.7552 -3.6172 -3.6172 -2.7437 -2.7437 3.1629 3.1629 3.9190 3.9190 7.4972 7.4972 8.2466 8.2466 8.2982 8.2982 8.7083 8.7083 9.1530 9.1530 9.7674 9.7674 12.2099 12.2099 12.9727 12.9727 13.2891 13.2891 13.6612 13.6612 k = 0.1273 0.0735 0.1896 ( 2778 PWs) bands (ev): -57.5293 -57.5293 -30.3637 -30.3637 -21.6890 -21.6890 -21.5665 -21.5665 -4.6291 -4.6291 -4.5781 -4.5781 -3.8464 -3.8464 -3.7853 -3.7853 -3.7526 -3.7526 -3.6175 -3.6175 -2.7300 -2.7300 3.1956 3.1956 3.9548 3.9548 7.4106 7.4106 8.1896 8.1896 8.2989 8.2989 8.6675 8.6675 9.1413 9.1413 9.7844 9.7844 12.1416 12.1416 12.9680 12.9680 13.3080 13.3080 13.7003 13.7003 k = 0.1364 0.0787 0.1896 ( 2774 PWs) bands (ev): -57.5290 -57.5290 -30.3650 -30.3650 -21.6902 -21.6902 -21.5712 -21.5712 -4.6277 -4.6277 -4.5766 -4.5766 -3.8381 -3.8381 -3.7655 -3.7655 -3.7485 -3.7485 -3.6174 -3.6174 -2.7154 -2.7154 3.2306 3.2306 3.9927 3.9927 7.3211 7.3211 8.1169 8.1169 8.3139 8.3139 8.6255 8.6255 9.1274 9.1274 9.8010 9.8010 12.0760 12.0760 12.9646 12.9646 13.3292 13.3292 13.7411 13.7411 k = 0.1455 0.0840 0.1896 ( 2774 PWs) bands (ev): -57.5287 -57.5287 -30.3663 -30.3663 -21.6915 -21.6915 -21.5760 -21.5760 -4.6262 -4.6262 -4.5751 -4.5751 -3.8332 -3.8332 -3.7518 -3.7518 -3.7341 -3.7341 -3.6166 -3.6166 -2.7000 -2.7000 3.2680 3.2680 4.0326 4.0326 7.2291 7.2291 8.0403 8.0403 8.3312 8.3312 8.5827 8.5827 9.1117 9.1117 9.8166 9.8166 12.0139 12.0139 12.9625 12.9625 13.3527 13.3527 13.7830 13.7830 k = 0.1545 0.0892 0.1896 ( 2770 PWs) bands (ev): -57.5283 -57.5283 -30.3676 -30.3676 -21.6930 -21.6930 -21.5809 -21.5809 -4.6248 -4.6248 -4.5734 -4.5734 -3.8299 -3.8299 -3.7476 -3.7476 -3.7081 -3.7081 -3.6143 -3.6143 -2.6837 -2.6837 3.3078 3.3078 4.0743 4.0743 7.1351 7.1351 7.9612 7.9612 8.3489 8.3489 8.5397 8.5397 9.0945 9.0945 9.8308 9.8308 11.9563 11.9563 12.9619 12.9619 13.3783 13.3783 13.8257 13.8257 k = 0.1636 0.0945 0.1896 ( 2768 PWs) bands (ev): -57.5280 -57.5280 -30.3690 -30.3690 -21.6947 -21.6947 -21.5858 -21.5858 -4.6234 -4.6234 -4.5718 -4.5718 -3.8274 -3.8274 -3.7447 -3.7447 -3.6815 -3.6815 -3.6086 -3.6086 -2.6667 -2.6667 3.3499 3.3499 4.1177 4.1177 7.0397 7.0397 7.8802 7.8802 8.3656 8.3656 8.4978 8.4978 9.0760 9.0760 9.8430 9.8430 11.9040 11.9040 12.9630 12.9630 13.4061 13.4061 13.8687 13.8687 k = 0.1727 0.0997 0.1896 ( 2764 PWs) bands (ev): -57.5276 -57.5276 -30.3705 -30.3705 -21.6966 -21.6966 -21.5908 -21.5908 -4.6220 -4.6220 -4.5701 -4.5701 -3.8255 -3.8255 -3.7421 -3.7421 -3.6598 -3.6598 -3.5955 -3.5955 -2.6490 -2.6490 3.3944 3.3944 4.1625 4.1625 6.9431 6.9431 7.7977 7.7977 8.3769 8.3769 8.4611 8.4611 9.0567 9.0567 9.8527 9.8527 11.8578 11.8578 12.9660 12.9660 13.4355 13.4355 13.9116 13.9116 k = 0.1818 0.1050 0.1896 ( 2764 PWs) bands (ev): -57.5272 -57.5272 -30.3720 -30.3720 -21.6988 -21.6988 -21.5956 -21.5956 -4.6207 -4.6207 -4.5684 -4.5684 -3.8237 -3.8237 -3.7396 -3.7396 -3.6471 -3.6471 -3.5715 -3.5715 -2.6305 -2.6305 3.4412 3.4412 4.2087 4.2087 6.8457 6.8457 7.7138 7.7138 8.3689 8.3689 8.4437 8.4437 9.0368 9.0368 9.8594 9.8594 11.8185 11.8185 12.9709 12.9709 13.4664 13.4664 13.9541 13.9541 k = 0.1909 0.1102 0.1896 ( 2764 PWs) bands (ev): -57.5268 -57.5268 -30.3736 -30.3736 -21.7013 -21.7013 -21.6004 -21.6004 -4.6194 -4.6194 -4.5666 -4.5666 -3.8222 -3.8222 -3.7372 -3.7372 -3.6410 -3.6410 -3.5390 -3.5390 -2.6114 -2.6114 3.4902 3.4902 4.2560 4.2560 6.7479 6.7479 7.6288 7.6288 8.3362 8.3362 8.4509 8.4509 9.0166 9.0166 9.8624 9.8624 11.7871 11.7871 12.9781 12.9781 13.4982 13.4982 13.9959 13.9959 k = 0.2000 0.1155 0.1896 ( 2764 PWs) bands (ev): -57.5264 -57.5264 -30.3752 -30.3752 -21.7041 -21.7041 -21.6050 -21.6050 -4.6182 -4.6182 -4.5649 -4.5649 -3.8207 -3.8207 -3.7350 -3.7350 -3.6379 -3.6379 -3.5019 -3.5019 -2.5917 -2.5917 3.5415 3.5415 4.3042 4.3042 6.6501 6.6501 7.5430 7.5430 8.2945 8.2945 8.4671 8.4671 8.9963 8.9963 9.8615 9.8615 11.7640 11.7640 12.9875 12.9875 13.5302 13.5302 14.0366 14.0366 k = 0.2091 0.1207 0.1896 ( 2762 PWs) bands (ev): -57.5260 -57.5260 -30.3768 -30.3768 -21.7072 -21.7072 -21.6094 -21.6094 -4.6170 -4.6170 -4.5632 -4.5632 -3.8192 -3.8192 -3.7329 -3.7329 -3.6358 -3.6358 -3.4621 -3.4621 -2.5714 -2.5714 3.5950 3.5950 4.3530 4.3530 6.5525 6.5525 7.4566 7.4566 8.2504 8.2504 8.4857 8.4857 8.9761 8.9761 9.8565 9.8565 11.7498 11.7498 12.9993 12.9993 13.5616 13.5616 14.0758 14.0758 k = 0.2182 0.1260 0.1896 ( 2758 PWs) bands (ev): -57.5256 -57.5256 -30.3784 -30.3784 -21.7106 -21.7106 -21.6135 -21.6135 -4.6159 -4.6159 -4.5614 -4.5614 -3.8178 -3.8178 -3.7311 -3.7311 -3.6341 -3.6341 -3.4205 -3.4205 -2.5506 -2.5506 3.6506 3.6506 4.4021 4.4021 6.4556 6.4556 7.3700 7.3700 8.2057 8.2057 8.5048 8.5048 8.9564 8.9564 9.8472 9.8472 11.7448 11.7448 13.0137 13.0137 13.5912 13.5912 14.1133 14.1133 k = 0.2273 0.1312 0.1896 ( 2754 PWs) bands (ev): -57.5252 -57.5252 -30.3801 -30.3801 -21.7144 -21.7144 -21.6173 -21.6173 -4.6149 -4.6149 -4.5597 -4.5597 -3.8163 -3.8163 -3.7295 -3.7295 -3.6324 -3.6324 -3.3774 -3.3774 -2.5294 -2.5294 3.7082 3.7082 4.4513 4.4513 6.3596 6.3596 7.2834 7.2834 8.1611 8.1611 8.5239 8.5239 8.9373 8.9373 9.8339 9.8339 11.7490 11.7490 13.0307 13.0307 13.6174 13.6174 14.1487 14.1487 k = 0.2364 0.1365 0.1896 ( 2754 PWs) bands (ev): -57.5247 -57.5247 -30.3818 -30.3818 -21.7186 -21.7186 -21.6209 -21.6209 -4.6140 -4.6140 -4.5581 -4.5581 -3.8148 -3.8148 -3.7282 -3.7282 -3.6306 -3.6306 -3.3332 -3.3332 -2.5078 -2.5078 3.7679 3.7679 4.5001 4.5001 6.2650 6.2650 7.1970 7.1970 8.1167 8.1167 8.5427 8.5427 8.9189 8.9189 9.8167 9.8167 11.7625 11.7625 13.0504 13.0504 13.6373 13.6373 14.1812 14.1812 k = 0.2455 0.1417 0.1896 ( 2754 PWs) bands (ev): -57.5243 -57.5243 -30.3835 -30.3835 -21.7231 -21.7231 -21.6241 -21.6241 -4.6131 -4.6131 -4.5565 -4.5565 -3.8133 -3.8133 -3.7272 -3.7272 -3.6286 -3.6286 -3.2880 -3.2880 -2.4859 -2.4859 3.8294 3.8294 4.5483 4.5483 6.1721 6.1721 7.1112 7.1112 8.0729 8.0729 8.5608 8.5608 8.9015 8.9015 9.7962 9.7962 11.7848 11.7848 13.0728 13.0728 13.6469 13.6469 14.2100 14.2100 k = 0.2545 0.1470 0.1896 ( 2746 PWs) bands (ev): -57.5239 -57.5239 -30.3851 -30.3851 -21.7278 -21.7278 -21.6270 -21.6270 -4.6123 -4.6123 -4.5549 -4.5549 -3.8117 -3.8117 -3.7265 -3.7265 -3.6263 -3.6263 -3.2421 -3.2421 -2.4637 -2.4637 3.8927 3.8927 4.5952 4.5952 6.0814 6.0814 7.0263 7.0263 8.0299 8.0299 8.5782 8.5782 8.8852 8.8852 9.7730 9.7730 11.8156 11.8156 13.0978 13.0978 13.6395 13.6395 14.2333 14.2333 k = 0.2636 0.1522 0.1896 ( 2746 PWs) bands (ev): -57.5235 -57.5235 -30.3868 -30.3868 -21.7329 -21.7329 -21.6297 -21.6297 -4.6117 -4.6117 -4.5534 -4.5534 -3.8101 -3.8101 -3.7261 -3.7261 -3.6237 -3.6237 -3.1956 -3.1956 -2.4413 -2.4413 3.9576 3.9576 4.6404 4.6404 5.9934 5.9934 6.9426 6.9426 7.9877 7.9877 8.5947 8.5947 8.8701 8.8701 9.7477 9.7477 11.8544 11.8544 13.1253 13.1253 13.6054 13.6054 14.2473 14.2473 k = 0.2727 0.1575 0.1896 ( 2746 PWs) bands (ev): -57.5230 -57.5230 -30.3885 -30.3885 -21.7382 -21.7382 -21.6320 -21.6320 -4.6111 -4.6111 -4.5519 -4.5519 -3.8085 -3.8085 -3.7259 -3.7259 -3.6208 -3.6208 -3.1486 -3.1486 -2.4189 -2.4189 4.0240 4.0240 4.6831 4.6831 5.9088 5.9088 6.8603 6.8603 7.9464 7.9464 8.6101 8.6101 8.8564 8.8564 9.7211 9.7211 11.9005 11.9005 13.1549 13.1549 13.5354 13.5354 14.2476 14.2476 k = 0.2818 0.1627 0.1896 ( 2750 PWs) bands (ev): -57.5226 -57.5226 -30.3902 -30.3902 -21.7437 -21.7437 -21.6342 -21.6342 -4.6106 -4.6106 -4.5506 -4.5506 -3.8068 -3.8068 -3.7260 -3.7260 -3.6177 -3.6177 -3.1014 -3.1014 -2.3963 -2.3963 4.0917 4.0917 4.7225 4.7225 5.8282 5.8282 6.7797 6.7797 7.9062 7.9062 8.6244 8.6244 8.8442 8.8442 9.6938 9.6938 11.9533 11.9533 13.1846 13.1846 13.4281 13.4281 14.2379 14.2379 k = 0.2909 0.1680 0.1896 ( 2752 PWs) bands (ev): -57.5222 -57.5222 -30.3919 -30.3919 -21.7493 -21.7493 -21.6360 -21.6360 -4.6101 -4.6101 -4.5493 -4.5493 -3.8051 -3.8051 -3.7264 -3.7264 -3.6143 -3.6143 -3.0540 -3.0540 -2.3738 -2.3738 4.1606 4.1606 4.7577 4.7577 5.7528 5.7528 6.7013 6.7013 7.8671 7.8671 8.6374 8.6374 8.8337 8.8337 9.6666 9.6666 12.0122 12.0122 13.1986 13.1986 13.3065 13.3065 14.2320 14.2320 k = 0.3000 0.1732 0.1896 ( 2754 PWs) bands (ev): -57.5218 -57.5218 -30.3935 -30.3935 -21.7550 -21.7550 -21.6376 -21.6376 -4.6098 -4.6098 -4.5481 -4.5481 -3.8034 -3.8034 -3.7269 -3.7269 -3.6107 -3.6107 -3.0067 -3.0067 -2.3515 -2.3515 4.2303 4.2303 4.7873 4.7873 5.6836 5.6836 6.6252 6.6252 7.8292 7.8292 8.6490 8.6490 8.8249 8.8249 9.6400 9.6400 12.0764 12.0764 13.0941 13.0941 13.2845 13.2845 14.2358 14.2358 k = 0.3091 0.1785 0.1896 ( 2746 PWs) bands (ev): -57.5214 -57.5214 -30.3951 -30.3951 -21.7607 -21.7607 -21.6390 -21.6390 -4.6095 -4.6095 -4.5469 -4.5469 -3.8017 -3.8017 -3.7276 -3.7276 -3.6069 -3.6069 -2.9595 -2.9595 -2.3293 -2.3293 4.3005 4.3005 4.8099 4.8099 5.6222 5.6222 6.5519 6.5519 7.7926 7.7926 8.6592 8.6592 8.8180 8.8180 9.6146 9.6146 12.1453 12.1453 12.9243 12.9243 13.3182 13.3182 14.2477 14.2477 k = 0.3182 0.1837 0.1896 ( 2738 PWs) bands (ev): -57.5210 -57.5210 -30.3966 -30.3966 -21.7664 -21.7664 -21.6402 -21.6402 -4.6093 -4.6093 -4.5459 -4.5459 -3.7999 -3.7999 -3.7285 -3.7285 -3.6029 -3.6029 -2.9128 -2.9128 -2.3073 -2.3073 4.3711 4.3711 4.8238 4.8238 5.5701 5.5701 6.4817 6.4817 7.7574 7.7574 8.6681 8.6681 8.8129 8.8129 9.5908 9.5908 12.2178 12.2178 12.7438 12.7438 13.3593 13.3593 14.2646 14.2646 k = 0.3273 0.1890 0.1896 ( 2742 PWs) bands (ev): -57.5206 -57.5206 -30.3982 -30.3982 -21.7721 -21.7721 -21.6413 -21.6413 -4.6091 -4.6091 -4.5449 -4.5449 -3.7982 -3.7982 -3.7295 -3.7295 -3.5990 -3.5990 -2.8665 -2.8665 -2.2858 -2.2858 4.4415 4.4415 4.8275 4.8275 5.5288 5.5288 6.4148 6.4148 7.7236 7.7236 8.6757 8.6757 8.8097 8.8097 9.5689 9.5689 12.2907 12.2907 12.5630 12.5630 13.4035 13.4035 14.2839 14.2839 k = 0.3364 0.1942 0.1896 ( 2738 PWs) bands (ev): -57.5202 -57.5202 -30.3996 -30.3996 -21.7777 -21.7777 -21.6423 -21.6423 -4.6090 -4.6090 -4.5440 -4.5440 -3.7965 -3.7965 -3.7305 -3.7305 -3.5949 -3.5949 -2.8210 -2.8210 -2.2646 -2.2646 4.5113 4.5113 4.8202 4.8202 5.4993 5.4993 6.3519 6.3519 7.6912 7.6912 8.6823 8.6823 8.8082 8.8082 9.5494 9.5494 12.3214 12.3214 12.4273 12.4273 13.4498 13.4498 14.3041 14.3041 k = 0.3455 0.1994 0.1896 ( 2736 PWs) bands (ev): -57.5199 -57.5199 -30.4010 -30.4010 -21.7832 -21.7832 -21.6431 -21.6431 -4.6089 -4.6089 -4.5432 -4.5432 -3.7948 -3.7948 -3.7316 -3.7316 -3.5909 -3.5909 -2.7764 -2.7764 -2.2440 -2.2440 4.5800 4.5800 4.8021 4.8021 5.4812 5.4812 6.2931 6.2931 7.6604 7.6604 8.6881 8.6881 8.8081 8.8081 9.5324 9.5324 12.1716 12.1716 12.4763 12.4763 13.4976 13.4976 14.3238 14.3238 k = 0.3545 0.2047 0.1896 ( 2740 PWs) bands (ev): -57.5196 -57.5196 -30.4024 -30.4024 -21.7886 -21.7886 -21.6439 -21.6439 -4.6089 -4.6089 -4.5424 -4.5424 -3.7931 -3.7931 -3.7327 -3.7327 -3.5869 -3.5869 -2.7329 -2.7329 -2.2240 -2.2240 4.6470 4.6470 4.7745 4.7745 5.4734 5.4734 6.2391 6.2391 7.6311 7.6311 8.6934 8.6934 8.8093 8.8093 9.5180 9.5180 11.9935 11.9935 12.5587 12.5587 13.5464 13.5464 14.3425 14.3425 k = 0.3636 0.2099 0.1896 ( 2740 PWs) bands (ev): -57.5192 -57.5192 -30.4038 -30.4038 -21.7938 -21.7938 -21.6445 -21.6445 -4.6090 -4.6090 -4.5418 -4.5418 -3.7915 -3.7915 -3.7339 -3.7339 -3.5830 -3.5830 -2.6907 -2.6907 -2.2047 -2.2047 4.7111 4.7111 4.7401 4.7401 5.4738 5.4738 6.1901 6.1901 7.6034 7.6034 8.6987 8.6987 8.8115 8.8115 9.5062 9.5062 11.8161 11.8161 12.6458 12.6458 13.5957 13.5957 14.3596 14.3596 k = 0.3727 0.2152 0.1896 ( 2740 PWs) bands (ev): -57.5189 -57.5189 -30.4050 -30.4050 -21.7987 -21.7987 -21.6451 -21.6451 -4.6090 -4.6090 -4.5412 -4.5412 -3.7899 -3.7899 -3.7350 -3.7350 -3.5792 -3.5792 -2.6500 -2.6500 -2.1861 -2.1861 4.6990 4.6990 4.7739 4.7739 5.4802 5.4802 6.1468 6.1468 7.5773 7.5773 8.7042 8.7042 8.8145 8.8145 9.4970 9.4970 11.6423 11.6423 12.7350 12.7350 13.6451 13.6451 14.3750 14.3750 k = 0.3818 0.2204 0.1896 ( 2736 PWs) bands (ev): -57.5186 -57.5186 -30.4062 -30.4062 -21.8034 -21.8034 -21.6456 -21.6456 -4.6091 -4.6091 -4.5407 -4.5407 -3.7884 -3.7884 -3.7361 -3.7361 -3.5755 -3.5755 -2.6110 -2.6110 -2.1684 -2.1684 4.6563 4.6563 4.8315 4.8315 5.4905 5.4905 6.1095 6.1095 7.5529 7.5529 8.7103 8.7103 8.8181 8.8181 9.4904 9.4904 11.4733 11.4733 12.8252 12.8252 13.6940 13.6940 14.3884 14.3884 k = 0.3909 0.2257 0.1896 ( 2726 PWs) bands (ev): -57.5183 -57.5183 -30.4072 -30.4072 -21.8078 -21.8078 -21.6460 -21.6460 -4.6092 -4.6092 -4.5402 -4.5402 -3.7870 -3.7870 -3.7371 -3.7371 -3.5719 -3.5719 -2.5738 -2.5738 -2.1516 -2.1516 4.6125 4.6125 4.8845 4.8845 5.5033 5.5033 6.0786 6.0786 7.5302 7.5302 8.7170 8.7170 8.8223 8.8223 9.4861 9.4861 11.3100 11.3100 12.9158 12.9158 13.7420 13.7420 14.4001 14.4001 k = 0.4000 0.2309 0.1896 ( 2730 PWs) bands (ev): -57.5181 -57.5181 -30.4083 -30.4083 -21.8120 -21.8120 -21.6464 -21.6464 -4.6093 -4.6093 -4.5398 -4.5398 -3.7856 -3.7856 -3.7381 -3.7381 -3.5686 -3.5686 -2.5387 -2.5387 -2.1359 -2.1359 4.5689 4.5689 4.9321 4.9321 5.5173 5.5173 6.0544 6.0544 7.5092 7.5092 8.7246 8.7246 8.8269 8.8269 9.4838 9.4838 11.1532 11.1532 13.0060 13.0060 13.7883 13.7883 14.4100 14.4100 k = 0.4091 0.2362 0.1896 ( 2738 PWs) bands (ev): -57.5178 -57.5178 -30.4093 -30.4093 -21.8159 -21.8159 -21.6467 -21.6467 -4.6095 -4.6095 -4.5395 -4.5395 -3.7844 -3.7844 -3.7391 -3.7391 -3.5654 -3.5654 -2.5059 -2.5059 -2.1213 -2.1213 4.5267 4.5267 4.9736 4.9736 5.5317 5.5317 6.0371 6.0371 7.4900 7.4900 8.7328 8.7328 8.8322 8.8322 9.4834 9.4834 11.0035 11.0035 13.0949 13.0949 13.8324 13.8324 14.4184 14.4184 k = 0.4182 0.2414 0.1896 ( 2742 PWs) bands (ev): -57.5176 -57.5176 -30.4102 -30.4102 -21.8195 -21.8195 -21.6471 -21.6471 -4.6096 -4.6096 -4.5392 -4.5392 -3.7832 -3.7832 -3.7400 -3.7400 -3.5625 -3.5625 -2.4755 -2.4755 -2.1078 -2.1078 4.4867 4.4867 5.0087 5.0087 5.5460 5.5460 6.0263 6.0263 7.4726 7.4726 8.7416 8.7416 8.8382 8.8382 9.4846 9.4846 10.8619 10.8619 13.1819 13.1819 13.8736 13.8736 14.4253 14.4253 k = 0.4273 0.2467 0.1896 ( 2740 PWs) bands (ev): -57.5174 -57.5174 -30.4110 -30.4110 -21.8227 -21.8227 -21.6473 -21.6473 -4.6098 -4.6098 -4.5389 -4.5389 -3.7822 -3.7822 -3.7407 -3.7407 -3.5599 -3.5599 -2.4478 -2.4478 -2.0956 -2.0956 4.4496 4.4496 5.0374 5.0374 5.5597 5.5597 6.0217 6.0217 7.4569 7.4569 8.7507 8.7507 8.8452 8.8452 9.4869 9.4869 10.7294 10.7294 13.2658 13.2658 13.9112 13.9112 14.4309 14.4309 k = 0.4364 0.2519 0.1896 ( 2744 PWs) bands (ev): -57.5173 -57.5173 -30.4118 -30.4118 -21.8256 -21.8256 -21.6475 -21.6475 -4.6099 -4.6099 -4.5387 -4.5387 -3.7813 -3.7813 -3.7414 -3.7414 -3.5575 -3.5575 -2.4229 -2.4229 -2.0846 -2.0846 4.4159 4.4159 5.0599 5.0599 5.5723 5.5723 6.0223 6.0223 7.4431 7.4431 8.7595 8.7595 8.8533 8.8533 9.4900 9.4900 10.6070 10.6070 13.3456 13.3456 13.9447 13.9447 14.4353 14.4353 k = 0.4455 0.2572 0.1896 ( 2754 PWs) bands (ev): -57.5171 -57.5171 -30.4125 -30.4125 -21.8282 -21.8282 -21.6478 -21.6478 -4.6100 -4.6100 -4.5385 -4.5385 -3.7804 -3.7804 -3.7421 -3.7421 -3.5555 -3.5555 -2.4009 -2.4009 -2.0750 -2.0750 4.3859 4.3859 5.0769 5.0769 5.5836 5.5836 6.0270 6.0270 7.4310 7.4310 8.7677 8.7677 8.8628 8.8628 9.4936 9.4936 10.4959 10.4959 13.4201 13.4201 13.9735 13.9735 14.4384 14.4384 k = 0.4545 0.2624 0.1896 ( 2758 PWs) bands (ev): -57.5170 -57.5170 -30.4130 -30.4130 -21.8303 -21.8303 -21.6480 -21.6480 -4.6102 -4.6102 -4.5384 -4.5384 -3.7798 -3.7798 -3.7426 -3.7426 -3.5537 -3.5537 -2.3821 -2.3821 -2.0668 -2.0668 4.3601 4.3601 5.0892 5.0892 5.5934 5.5934 6.0344 6.0344 7.4208 7.4208 8.7747 8.7747 8.8734 8.8734 9.4973 9.4973 10.3975 10.3975 13.4878 13.4878 13.9973 13.9973 14.4405 14.4405 k = 0.4636 0.2677 0.1896 ( 2758 PWs) bands (ev): -57.5169 -57.5169 -30.4135 -30.4135 -21.8321 -21.8321 -21.6481 -21.6481 -4.6103 -4.6103 -4.5383 -4.5383 -3.7792 -3.7792 -3.7430 -3.7430 -3.5522 -3.5522 -2.3664 -2.3664 -2.0600 -2.0600 4.3386 4.3386 5.0978 5.0978 5.6016 5.6016 6.0429 6.0429 7.4125 7.4125 8.7803 8.7803 8.8845 8.8845 9.5008 9.5008 10.3134 10.3134 13.5472 13.5472 14.0157 14.0157 14.4415 14.4415 k = 0.4727 0.2729 0.1896 ( 2762 PWs) bands (ev): -57.5168 -57.5168 -30.4138 -30.4138 -21.8335 -21.8335 -21.6482 -21.6482 -4.6103 -4.6103 -4.5382 -4.5382 -3.7788 -3.7788 -3.7434 -3.7434 -3.5510 -3.5510 -2.3542 -2.3542 -2.0547 -2.0547 4.3216 4.3216 5.1034 5.1034 5.6079 5.6079 6.0512 6.0512 7.4060 7.4060 8.7846 8.7846 8.8950 8.8950 9.5039 9.5039 10.2455 10.2455 13.5964 13.5964 14.0291 14.0291 14.4418 14.4418 k = 0.4818 0.2782 0.1896 ( 2764 PWs) bands (ev): -57.5168 -57.5168 -30.4141 -30.4141 -21.8345 -21.8345 -21.6483 -21.6483 -4.6104 -4.6104 -4.5381 -4.5381 -3.7784 -3.7784 -3.7436 -3.7436 -3.5502 -3.5502 -2.3454 -2.3454 -2.0509 -2.0509 4.3094 4.3094 5.1069 5.1069 5.6125 5.6125 6.0581 6.0581 7.4013 7.4013 8.7876 8.7876 8.9039 8.9039 9.5062 9.5062 10.1952 10.1952 13.6336 13.6336 14.0378 14.0378 14.4417 14.4417 k = 0.4909 0.2834 0.1896 ( 2768 PWs) bands (ev): -57.5167 -57.5167 -30.4143 -30.4143 -21.8352 -21.8352 -21.6483 -21.6483 -4.6104 -4.6104 -4.5381 -4.5381 -3.7782 -3.7782 -3.7437 -3.7437 -3.5497 -3.5497 -2.3400 -2.3400 -2.0486 -2.0486 4.3021 4.3021 5.1087 5.1087 5.6152 5.6152 6.0626 6.0626 7.3985 7.3985 8.7893 8.7893 8.9098 8.9098 9.5077 9.5077 10.1644 10.1644 13.6568 13.6568 14.0425 14.0425 14.4414 14.4414 k = 0.5000 0.2887 0.1896 ( 2768 PWs) bands (ev): -57.5167 -57.5167 -30.4143 -30.4143 -21.8354 -21.8354 -21.6483 -21.6483 -4.6105 -4.6105 -4.5381 -4.5381 -3.7782 -3.7782 -3.7438 -3.7438 -3.5495 -3.5495 -2.3383 -2.3383 -2.0478 -2.0478 4.2996 4.2996 5.1093 5.1093 5.6162 5.6162 6.0642 6.0642 7.3976 7.3976 8.7898 8.7898 8.9119 8.9119 9.5082 9.5082 10.1540 10.1540 13.6647 13.6647 14.0440 14.0440 14.4413 14.4413 k = 0.5000 0.2887 0.1896 ( 2768 PWs) bands (ev): -57.5167 -57.5167 -30.4143 -30.4143 -21.8354 -21.8354 -21.6483 -21.6483 -4.6105 -4.6105 -4.5381 -4.5381 -3.7782 -3.7782 -3.7438 -3.7438 -3.5495 -3.5495 -2.3383 -2.3383 -2.0478 -2.0478 4.2996 4.2996 5.1093 5.1093 5.6162 5.6162 6.0642 6.0642 7.3976 7.3976 8.7898 8.7898 8.9119 8.9119 9.5082 9.5082 10.1540 10.1540 13.6647 13.6647 14.0440 14.0440 14.4413 14.4413 k = 0.4948 0.2977 0.1896 ( 2768 PWs) bands (ev): -57.5167 -57.5167 -30.4145 -30.4141 -21.8359 -21.8347 -21.6486 -21.6484 -4.6103 -4.6103 -4.5381 -4.5381 -3.7782 -3.7782 -3.7437 -3.7437 -3.5497 -3.5497 -2.3412 -2.3344 -2.0478 -2.0474 4.2992 4.3031 5.1093 5.1105 5.6130 5.6200 6.0626 6.0651 7.3934 7.3979 8.7585 8.8018 8.9134 8.9140 9.4925 9.5373 10.1520 10.1563 13.6608 13.6693 14.0189 14.0613 14.4326 14.4425 k = 0.4896 0.3067 0.1896 ( 2766 PWs) bands (ev): -57.5167 -57.5167 -30.4148 -30.4139 -21.8364 -21.8339 -21.6491 -21.6486 -4.6100 -4.6100 -4.5380 -4.5380 -3.7781 -3.7781 -3.7436 -3.7436 -3.5502 -3.5502 -2.3432 -2.3295 -2.0472 -2.0464 4.3019 4.3097 5.1104 5.1127 5.6105 5.6246 6.0604 6.0655 7.3854 7.3943 8.7106 8.7926 8.9193 8.9194 9.4923 9.5762 10.1503 10.1590 13.6568 13.6746 13.9871 14.0708 14.4144 14.4368 k = 0.4844 0.3157 0.1896 ( 2754 PWs) bands (ev): -57.5167 -57.5167 -30.4150 -30.4137 -21.8366 -21.8329 -21.6498 -21.6491 -4.6094 -4.6094 -4.5378 -4.5378 -3.7781 -3.7781 -3.7433 -3.7432 -3.5511 -3.5511 -2.3441 -2.3237 -2.0462 -2.0449 4.3077 4.3194 5.1127 5.1160 5.6088 5.6299 6.0576 6.0652 7.3739 7.3869 8.6494 8.7619 8.9290 8.9299 9.5071 9.6215 10.1491 10.1621 13.6515 13.6801 13.9510 14.0736 14.3854 14.4230 k = 0.4792 0.3248 0.1896 ( 2748 PWs) bands (ev): -57.5166 -57.5166 -30.4152 -30.4136 -21.8368 -21.8318 -21.6508 -21.6499 -4.6086 -4.6086 -4.5376 -4.5375 -3.7780 -3.7780 -3.7429 -3.7428 -3.5523 -3.5523 -2.3442 -2.3170 -2.0446 -2.0429 4.3165 4.3321 5.1160 5.1205 5.6077 5.6358 6.0542 6.0642 7.3590 7.3758 8.5778 8.7122 8.9433 8.9451 9.5340 9.6706 10.1482 10.1656 13.6436 13.6841 13.9139 14.0713 14.3459 14.3986 k = 0.4740 0.3338 0.1896 ( 2744 PWs) bands (ev): -57.5166 -57.5166 -30.4155 -30.4135 -21.8369 -21.8306 -21.6521 -21.6510 -4.6076 -4.6076 -4.5373 -4.5372 -3.7779 -3.7779 -3.7423 -3.7423 -3.5539 -3.5538 -2.3432 -2.3093 -2.0425 -2.0404 4.3284 4.3478 5.1203 5.1259 5.6073 5.6424 6.0503 6.0626 7.3412 7.3615 8.4980 8.6472 8.9622 8.9647 9.5695 9.7218 10.1477 10.1695 13.6315 13.6833 13.8803 14.0652 14.2986 14.3619 k = 0.4688 0.3428 0.1896 ( 2736 PWs) bands (ev): -57.5165 -57.5165 -30.4158 -30.4134 -21.8369 -21.8293 -21.6536 -21.6524 -4.6064 -4.6064 -4.5369 -4.5369 -3.7778 -3.7778 -3.7417 -3.7417 -3.5557 -3.5557 -2.3414 -2.3009 -2.0400 -2.0374 4.3433 4.3665 5.1255 5.1322 5.6076 5.6495 6.0459 6.0603 7.3209 7.3441 8.4118 8.5706 8.9853 8.9883 9.6107 9.7738 10.1477 10.1739 13.6142 13.6726 13.8561 14.0536 14.2488 14.3125 k = 0.4635 0.3518 0.1896 ( 2740 PWs) bands (ev): -57.5165 -57.5165 -30.4162 -30.4134 -21.8368 -21.8279 -21.6554 -21.6541 -4.6050 -4.6050 -4.5365 -4.5364 -3.7777 -3.7776 -3.7410 -3.7409 -3.5580 -3.5579 -2.3386 -2.2916 -2.0370 -2.0341 4.3611 4.3882 5.1316 5.1393 5.6085 5.6572 6.0410 6.0573 7.2985 7.3241 8.3202 8.4851 9.0123 9.0157 9.6553 9.8261 10.1483 10.1787 13.5910 13.6485 13.8448 14.0301 14.2057 14.2516 k = 0.4583 0.3608 0.1896 ( 2744 PWs) bands (ev): -57.5164 -57.5164 -30.4167 -30.4134 -21.8366 -21.8264 -21.6573 -21.6561 -4.6035 -4.6035 -4.5360 -4.5359 -3.7775 -3.7775 -3.7401 -3.7400 -3.5605 -3.5604 -2.3350 -2.2815 -2.0335 -2.0302 4.3820 4.4127 5.1385 5.1472 5.6100 5.6654 6.0357 6.0537 7.2745 7.3018 8.2244 8.3928 9.0428 9.0468 9.7021 9.8784 10.1494 10.1841 13.5620 13.6128 13.8443 13.9858 14.1794 14.1810 k = 0.4531 0.3699 0.1896 ( 2748 PWs) bands (ev): -57.5164 -57.5164 -30.4171 -30.4135 -21.8364 -21.8249 -21.6595 -21.6583 -4.6019 -4.6019 -4.5354 -4.5354 -3.7773 -3.7773 -3.7391 -3.7391 -3.5633 -3.5632 -2.3305 -2.2707 -2.0297 -2.0260 4.4057 4.4401 5.1460 5.1557 5.6121 5.6741 6.0301 6.0496 7.2494 7.2776 8.1251 8.2952 9.0768 9.0812 9.7501 9.9304 10.1515 10.1902 13.5273 13.5699 13.8488 13.9210 14.1026 14.1697 k = 0.4479 0.3789 0.1896 ( 2748 PWs) bands (ev): -57.5163 -57.5163 -30.4176 -30.4136 -21.8361 -21.8232 -21.6618 -21.6606 -4.6002 -4.6002 -4.5348 -4.5347 -3.7771 -3.7770 -3.7380 -3.7379 -3.5664 -3.5663 -2.3252 -2.2593 -2.0255 -2.0214 4.4322 4.4702 5.1539 5.1646 5.6146 5.6831 6.0243 6.0450 7.2235 7.2517 8.0232 8.1933 9.1139 9.1188 9.7988 9.9817 10.1548 10.1970 13.4872 13.5232 13.8435 13.8518 14.0201 14.1684 k = 0.4427 0.3879 0.1896 ( 2744 PWs) bands (ev): -57.5162 -57.5162 -30.4180 -30.4137 -21.8357 -21.8213 -21.6643 -21.6632 -4.5984 -4.5983 -4.5341 -4.5340 -3.7768 -3.7767 -3.7368 -3.7367 -3.5698 -3.5697 -2.3192 -2.2473 -2.0209 -2.0165 4.4615 4.5030 5.1622 5.1737 5.6175 5.6924 6.0184 6.0402 7.1973 7.2243 7.9194 8.0881 9.1541 9.1594 9.8477 10.0317 10.1602 10.2047 13.4411 13.4744 13.7596 13.8395 13.9450 14.1687 k = 0.4375 0.3969 0.1896 ( 2748 PWs) bands (ev): -57.5162 -57.5162 -30.4185 -30.4138 -21.8352 -21.8195 -21.6669 -21.6660 -4.5965 -4.5965 -4.5333 -4.5332 -3.7765 -3.7764 -3.7354 -3.7353 -3.5734 -3.5733 -2.3125 -2.2347 -2.0160 -2.0113 4.4935 4.5384 5.1707 5.1828 5.6208 5.7020 6.0128 6.0352 7.1709 7.1954 7.8144 7.9804 9.1972 9.2027 9.8966 10.0784 10.1700 10.2136 13.3876 13.4238 13.6740 13.7814 13.9073 14.1662 k = 0.4323 0.4059 0.1896 ( 2744 PWs) bands (ev): -57.5161 -57.5161 -30.4189 -30.4139 -21.8347 -21.8175 -21.6695 -21.6690 -4.5946 -4.5946 -4.5324 -4.5323 -3.7761 -3.7760 -3.7339 -3.7338 -3.5772 -3.5771 -2.3052 -2.2218 -2.0108 -2.0058 4.5281 4.5763 5.1790 5.1918 5.6244 5.7118 6.0075 6.0304 7.1449 7.1651 7.7093 7.8708 9.2431 9.2487 9.9450 10.1163 10.1899 10.2240 13.3236 13.3705 13.5913 13.6889 13.8956 14.1583 k = 0.4271 0.4150 0.1896 ( 2740 PWs) bands (ev): -57.5160 -57.5160 -30.4194 -30.4140 -21.8341 -21.8154 -21.6723 -21.6721 -4.5927 -4.5927 -4.5315 -4.5313 -3.7757 -3.7756 -3.7322 -3.7322 -3.5813 -3.5811 -2.2974 -2.2084 -2.0053 -2.0001 4.5653 4.6166 5.1870 5.2003 5.6281 5.7217 6.0029 6.0260 7.1192 7.1329 7.6050 7.7598 9.2917 9.2973 9.9927 10.1395 10.2260 10.2364 13.2456 13.3119 13.5161 13.5883 13.8860 14.1439 k = 0.4219 0.4240 0.1896 ( 2744 PWs) bands (ev): -57.5159 -57.5159 -30.4199 -30.4143 -21.8335 -21.8133 -21.6754 -21.6751 -4.5909 -4.5909 -4.5304 -4.5303 -3.7752 -3.7751 -3.7305 -3.7304 -3.5855 -3.5853 -2.2890 -2.1948 -1.9997 -1.9942 4.6048 4.6591 5.1945 5.2081 5.6320 5.7316 5.9993 6.0225 7.0941 7.0979 7.5030 7.6482 9.3430 9.3482 10.0390 10.1533 10.2513 10.2732 13.1518 13.2424 13.4507 13.4908 13.8724 14.1230 k = 0.4167 0.4330 0.1896 ( 2748 PWs) bands (ev): -57.5158 -57.5158 -30.4204 -30.4145 -21.8329 -21.8111 -21.6789 -21.6780 -4.5892 -4.5891 -4.5294 -4.5292 -3.7747 -3.7746 -3.7286 -3.7286 -3.5899 -3.5897 -2.2803 -2.1810 -1.9939 -1.9882 4.6466 4.7037 5.2012 5.2150 5.6359 5.7415 5.9971 6.0201 7.0586 7.0696 7.4056 7.5364 9.3969 9.4014 10.0830 10.1644 10.2697 10.3252 13.0431 13.1548 13.3945 13.4057 13.8533 14.0963 k = 0.4115 0.4420 0.1896 ( 2748 PWs) bands (ev): -57.5157 -57.5157 -30.4209 -30.4147 -21.8323 -21.8088 -21.6824 -21.6809 -4.5875 -4.5874 -4.5282 -4.5281 -3.7741 -3.7740 -3.7266 -3.7265 -3.5944 -3.5942 -2.2712 -2.1671 -1.9880 -1.9821 4.6907 4.7503 5.2069 5.2206 5.6398 5.7512 5.9965 6.0192 7.0124 7.0457 7.3156 7.4248 9.4534 9.4568 10.1238 10.1755 10.2928 10.3794 12.9223 13.0453 13.3374 13.3451 13.8288 14.0654 k = 0.4062 0.4511 0.1896 ( 2748 PWs) bands (ev): -57.5156 -57.5156 -30.4213 -30.4149 -21.8317 -21.8066 -21.6859 -21.6837 -4.5859 -4.5858 -4.5271 -4.5269 -3.7735 -3.7734 -3.7244 -3.7244 -3.5990 -3.5988 -2.2619 -2.1533 -1.9821 -1.9760 4.7367 4.7986 5.2113 5.2249 5.6437 5.7608 5.9979 6.0203 6.9564 7.0226 7.2368 7.3140 9.5125 9.5140 10.1603 10.1878 10.3215 10.4349 12.7918 12.9176 13.2831 13.3002 13.7992 14.0316 k = 0.4010 0.4601 0.1896 ( 2744 PWs) bands (ev): -57.5155 -57.5155 -30.4218 -30.4151 -21.8311 -21.8042 -21.6895 -21.6864 -4.5844 -4.5843 -4.5258 -4.5257 -3.7729 -3.7728 -3.7222 -3.7221 -3.6037 -3.6035 -2.2524 -2.1395 -1.9762 -1.9699 4.7846 4.8485 5.2143 5.2276 5.6475 5.7701 6.0015 6.0235 6.8882 6.9999 7.1717 7.2045 9.5731 9.5740 10.1924 10.2020 10.3559 10.4912 12.6536 12.7775 13.2378 13.2585 13.7656 13.9965 k = 0.3958 0.4691 0.1896 ( 2748 PWs) bands (ev): -57.5155 -57.5155 -30.4223 -30.4153 -21.8305 -21.8020 -21.6931 -21.6891 -4.5830 -4.5830 -4.5246 -4.5244 -3.7722 -3.7721 -3.7198 -3.7197 -3.6084 -3.6082 -2.2430 -2.1260 -1.9703 -1.9639 4.8342 4.8996 5.2158 5.2286 5.6513 5.7791 6.0074 6.0291 6.8091 6.9777 7.0970 7.1197 9.6338 9.6380 10.2185 10.2209 10.3951 10.5479 12.5093 12.6289 13.1982 13.2189 13.7289 13.9614 k = 0.3906 0.4781 0.1896 ( 2756 PWs) bands (ev): -57.5154 -57.5154 -30.4228 -30.4156 -21.8301 -21.7997 -21.6968 -21.6917 -4.5818 -4.5817 -4.5234 -4.5232 -3.7715 -3.7714 -3.7173 -3.7173 -3.6132 -3.6130 -2.2336 -2.1129 -1.9646 -1.9580 4.8852 4.9516 5.2159 5.2280 5.6551 5.7878 6.0158 6.0372 6.7225 6.9545 6.9930 7.0777 9.6957 9.7044 10.2379 10.2472 10.4377 10.6046 12.3601 12.4748 13.1624 13.1811 13.6902 13.9275 k = 0.3854 0.4871 0.1896 ( 2756 PWs) bands (ev): -57.5153 -57.5153 -30.4232 -30.4159 -21.8296 -21.7975 -21.7003 -21.6941 -4.5807 -4.5806 -4.5222 -4.5220 -3.7708 -3.7707 -3.7147 -3.7147 -3.6179 -3.6177 -2.2244 -2.1002 -1.9590 -1.9524 4.9373 5.0040 5.2147 5.2259 5.6591 5.7960 6.0265 6.0478 6.6322 6.8861 6.9375 7.0424 9.7585 9.7731 10.2606 10.2729 10.4820 10.6607 12.2071 12.3171 13.1294 13.1450 13.6507 13.8955 k = 0.3802 0.4962 0.1896 ( 2748 PWs) bands (ev): -57.5152 -57.5152 -30.4235 -30.4160 -21.8291 -21.7953 -21.7036 -21.6963 -4.5796 -4.5796 -4.5211 -4.5209 -3.7701 -3.7699 -3.7120 -3.7120 -3.6226 -3.6224 -2.2155 -2.0881 -1.9537 -1.9470 4.9902 5.0562 5.2124 5.2224 5.6633 5.8038 6.0395 6.0606 6.5412 6.7877 6.9157 7.0114 9.8218 9.8441 10.2873 10.2990 10.5266 10.7157 12.0513 12.1573 13.0988 13.1105 13.6115 13.8661 k = 0.3750 0.5052 0.1896 ( 2744 PWs) bands (ev): -57.5151 -57.5151 -30.4238 -30.4162 -21.8287 -21.7931 -21.7068 -21.6983 -4.5788 -4.5787 -4.5200 -4.5198 -3.7693 -3.7692 -3.7093 -3.7093 -3.6271 -3.6269 -2.2070 -2.0768 -1.9487 -1.9419 5.0434 5.1068 5.2101 5.2180 5.6678 5.8112 6.0542 6.0754 6.4515 6.6927 6.8952 6.9836 9.8849 9.9171 10.3185 10.3264 10.5702 10.7689 11.8938 11.9967 13.0703 13.0780 13.5736 13.8397 k = 0.3698 0.5142 0.1896 ( 2740 PWs) bands (ev): -57.5151 -57.5151 -30.4241 -30.4163 -21.8284 -21.7912 -21.7098 -21.7001 -4.5780 -4.5780 -4.5190 -4.5188 -3.7686 -3.7685 -3.7066 -3.7066 -3.6315 -3.6312 -2.1990 -2.0663 -1.9440 -1.9373 5.0961 5.1521 5.2111 5.2130 5.6728 5.8182 6.0704 6.0918 6.3647 6.6024 6.8752 6.9580 9.9473 9.9920 10.3546 10.3559 10.6119 10.8195 11.7355 11.8367 13.0443 13.0480 13.5376 13.8164 k = 0.3646 0.5232 0.1896 ( 2746 PWs) bands (ev): -57.5150 -57.5150 -30.4245 -30.4166 -21.8282 -21.7894 -21.7126 -21.7018 -4.5774 -4.5774 -4.5181 -4.5179 -3.7680 -3.7678 -3.7039 -3.7039 -3.6356 -3.6354 -2.1917 -2.0568 -1.9398 -1.9330 5.1469 5.1776 5.2083 5.2292 5.6783 5.8249 6.0871 6.1091 6.2823 6.5181 6.8560 6.9346 10.0082 10.0685 10.3880 10.3962 10.6505 10.8663 11.5773 11.6787 13.0209 13.0212 13.5043 13.7964 k = 0.3594 0.5322 0.1896 ( 2742 PWs) bands (ev): -57.5149 -57.5149 -30.4247 -30.4167 -21.8280 -21.7878 -21.7150 -21.7031 -4.5769 -4.5768 -4.5173 -4.5171 -3.7674 -3.7672 -3.7014 -3.7014 -3.6394 -3.6391 -2.1851 -2.0484 -1.9360 -1.9293 5.1803 5.1876 5.2114 5.2664 5.6845 5.8314 6.1031 6.1268 6.2063 6.4411 6.8378 6.9132 10.0668 10.1460 10.4234 10.4434 10.6853 10.9083 11.4202 11.5243 12.9974 13.0014 13.4742 13.7794 k = 0.3542 0.5413 0.1896 ( 2754 PWs) bands (ev): -57.5149 -57.5149 -30.4250 -30.4169 -21.8280 -21.7865 -21.7171 -21.7043 -4.5765 -4.5764 -4.5167 -4.5165 -3.7669 -3.7667 -3.6991 -3.6991 -3.6428 -3.6425 -2.1795 -2.0413 -1.9329 -1.9261 5.1772 5.1916 5.2477 5.3046 5.6912 5.8382 6.1103 6.1438 6.1456 6.3730 6.8211 6.8942 10.1221 10.2236 10.4628 10.4955 10.7152 10.9442 11.2654 11.3761 12.9780 12.9858 13.4475 13.7654 k = 0.3490 0.5503 0.1896 ( 2758 PWs) bands (ev): -57.5149 -57.5149 -30.4252 -30.4171 -21.8280 -21.7855 -21.7188 -21.7052 -4.5762 -4.5761 -4.5162 -4.5160 -3.7665 -3.7663 -3.6972 -3.6971 -3.6457 -3.6453 -2.1749 -2.0355 -1.9303 -1.9236 5.1733 5.1879 5.2865 5.3376 5.6981 5.8455 6.0680 6.1416 6.1591 6.3161 6.8065 6.8782 10.1732 10.2996 10.5068 10.5507 10.7392 10.9720 11.1149 11.2385 12.9631 12.9747 13.4249 13.7544 k = 0.3438 0.5593 0.1896 ( 2762 PWs) bands (ev): -57.5149 -57.5149 -30.4254 -30.4172 -21.8280 -21.7848 -21.7201 -21.7058 -4.5760 -4.5759 -4.5158 -4.5156 -3.7661 -3.7660 -3.6956 -3.6955 -3.6478 -3.6475 -2.1715 -2.0312 -1.9284 -1.9217 5.1699 5.1844 5.3175 5.3625 5.7045 5.8537 6.0203 6.1518 6.1716 6.2728 6.7949 6.8658 10.2179 10.3713 10.5557 10.6044 10.7558 10.9727 10.9877 11.1217 12.9530 12.9682 13.4070 13.7462 k = 0.3385 0.5683 0.1896 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7844 -21.7208 -21.7062 -4.5759 -4.5758 -4.5156 -4.5154 -3.7659 -3.7657 -3.6947 -3.6946 -3.6491 -3.6488 -2.1694 -2.0286 -1.9272 -1.9206 5.1675 5.1820 5.3373 5.3779 5.7091 5.8619 5.9866 6.1593 6.1799 6.2458 6.7873 6.8578 10.2521 10.4324 10.6064 10.6462 10.7581 10.8556 10.9770 11.0548 12.9475 12.9656 13.3949 13.7410 k = 0.3333 0.5774 0.1896 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5758 -4.5156 -4.5153 -3.7659 -3.7657 -3.6944 -3.6943 -3.6496 -3.6492 -2.1686 -2.0277 -1.9268 -1.9202 5.1666 5.1811 5.3441 5.3831 5.7108 5.8659 5.9740 6.1621 6.1829 6.2367 6.7845 6.8549 10.2665 10.4635 10.6336 10.6607 10.7380 10.8162 10.9586 11.0437 12.9458 12.9653 13.3904 13.7392 k = 0.3333 0.5774 0.1896 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5758 -4.5156 -4.5153 -3.7659 -3.7657 -3.6944 -3.6943 -3.6496 -3.6492 -2.1686 -2.0277 -1.9268 -1.9202 5.1666 5.1811 5.3441 5.3831 5.7108 5.8659 5.9740 6.1621 6.1829 6.2367 6.7845 6.8549 10.2665 10.4635 10.6336 10.6607 10.7380 10.8162 10.9586 11.0437 12.9458 12.9653 13.3904 13.7392 k = 0.3281 0.5683 0.1896 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7843 -21.7208 -21.7062 -4.5759 -4.5758 -4.5156 -4.5154 -3.7659 -3.7658 -3.6947 -3.6946 -3.6492 -3.6488 -2.1694 -2.0286 -1.9272 -1.9206 5.1676 5.1820 5.3377 5.3782 5.7091 5.8616 5.9864 6.1591 6.1796 6.2455 6.7875 6.8579 10.2473 10.4161 10.6368 10.6568 10.7601 10.8396 10.9741 11.0521 12.9470 12.9646 13.3958 13.7413 k = 0.3229 0.5593 0.1896 ( 2758 PWs) bands (ev): -57.5149 -57.5149 -30.4254 -30.4172 -21.8279 -21.7846 -21.7201 -21.7058 -4.5760 -4.5759 -4.5158 -4.5156 -3.7662 -3.7660 -3.6955 -3.6954 -3.6479 -3.6476 -2.1718 -2.0315 -1.9285 -1.9218 5.1706 5.1850 5.3206 5.3645 5.7045 5.8521 6.0186 6.1500 6.1692 6.2707 6.7965 6.8671 10.1878 10.3074 10.6627 10.6667 10.7812 10.9059 10.9842 11.0948 12.9494 12.9603 13.4134 13.7481 k = 0.3177 0.5503 0.1896 ( 2754 PWs) bands (ev): -57.5149 -57.5149 -30.4252 -30.4170 -21.8278 -21.7851 -21.7190 -21.7053 -4.5761 -4.5761 -4.5162 -4.5159 -3.7666 -3.7664 -3.6966 -3.6966 -3.6462 -3.6458 -2.1759 -2.0365 -1.9307 -1.9240 5.1759 5.1903 5.2959 5.3439 5.6981 5.8413 6.0615 6.1363 6.1514 6.3094 6.8116 6.8823 10.0986 10.1839 10.6786 10.6992 10.8101 10.9713 10.9933 11.1706 12.9498 12.9509 13.4447 13.7606 k = 0.3125 0.5413 0.1896 ( 2750 PWs) bands (ev): -57.5149 -57.5149 -30.4249 -30.4168 -21.8275 -21.7858 -21.7176 -21.7045 -4.5764 -4.5763 -4.5167 -4.5164 -3.7672 -3.7671 -3.6980 -3.6980 -3.6440 -3.6436 -2.1819 -2.0436 -1.9338 -1.9271 5.1835 5.1977 5.2671 5.3185 5.6906 5.8301 6.0909 6.1264 6.1383 6.3588 6.8322 6.9032 9.9946 10.0590 10.6725 10.7480 10.8583 10.9468 11.0899 11.2615 12.9315 12.9495 13.4900 13.7799 k = 0.3073 0.5322 0.1896 ( 2750 PWs) bands (ev): -57.5150 -57.5150 -30.4247 -30.4166 -21.8272 -21.7865 -21.7159 -21.7036 -4.5767 -4.5766 -4.5173 -4.5171 -3.7680 -3.7679 -3.6995 -3.6995 -3.6415 -3.6412 -2.1897 -2.0529 -1.9379 -1.9311 5.1934 5.2068 5.2375 5.2906 5.6826 5.8185 6.0714 6.0949 6.1890 6.4160 6.8576 6.9291 9.8852 9.9369 10.6516 10.8063 10.9160 10.9194 11.1919 11.3603 12.9053 12.9432 13.5477 13.8066 k = 0.3021 0.5232 0.1896 ( 2758 PWs) bands (ev): -57.5151 -57.5151 -30.4244 -30.4165 -21.8268 -21.7873 -21.7140 -21.7026 -4.5771 -4.5770 -4.5180 -4.5178 -3.7691 -3.7689 -3.7010 -3.7010 -3.6389 -3.6386 -2.1996 -2.0645 -1.9431 -1.9361 5.2024 5.2048 5.2244 5.2628 5.6740 5.8061 6.0378 6.0576 6.2526 6.4792 6.8869 6.9593 9.7754 9.8191 10.6220 10.8549 10.8970 10.9881 11.2978 11.4647 12.8720 12.9306 13.6157 13.8411 k = 0.2969 0.5142 0.1896 ( 2762 PWs) bands (ev): -57.5152 -57.5152 -30.4240 -30.4162 -21.8262 -21.7880 -21.7119 -21.7014 -4.5775 -4.5774 -4.5189 -4.5187 -3.7703 -3.7702 -3.7024 -3.7024 -3.6362 -3.6359 -2.2114 -2.0785 -1.9492 -1.9422 5.1759 5.2121 5.2376 5.2421 5.6650 5.7927 5.9983 6.0153 6.3205 6.5469 6.9193 6.9929 9.6681 9.7066 10.5869 10.8280 10.9555 11.0622 11.4070 11.5733 12.8326 12.9109 13.6913 13.8829 k = 0.2917 0.5052 0.1896 ( 2754 PWs) bands (ev): -57.5153 -57.5153 -30.4235 -30.4158 -21.8253 -21.7885 -21.7095 -21.7000 -4.5779 -4.5779 -4.5198 -4.5196 -3.7717 -3.7715 -3.7036 -3.7036 -3.6335 -3.6333 -2.2254 -2.0948 -1.9563 -1.9492 5.1506 5.1971 5.2479 5.2548 5.6553 5.7780 5.9544 5.9689 6.3911 6.6178 6.9539 7.0292 9.5649 9.5999 10.5480 10.7847 11.0327 11.1410 11.5189 11.6854 12.7881 12.8839 13.7719 13.9311 k = 0.2865 0.4962 0.1896 ( 2760 PWs) bands (ev): -57.5154 -57.5154 -30.4230 -30.4154 -21.8243 -21.7890 -21.7071 -21.6986 -4.5785 -4.5784 -4.5208 -4.5206 -3.7732 -3.7731 -3.7047 -3.7047 -3.6310 -3.6307 -2.2414 -2.1135 -1.9645 -1.9573 5.1285 5.1742 5.2662 5.2741 5.6449 5.7618 5.9073 5.9190 6.4636 6.6913 6.9900 7.0674 9.4668 9.4996 10.5066 10.7383 11.1157 11.2241 11.6331 11.8005 12.7395 12.8502 13.8550 13.9840 k = 0.2812 0.4871 0.1896 ( 2760 PWs) bands (ev): -57.5155 -57.5155 -30.4223 -30.4149 -21.8231 -21.7893 -21.7046 -21.6971 -4.5790 -4.5790 -4.5219 -4.5217 -3.7749 -3.7748 -3.7056 -3.7056 -3.6285 -3.6283 -2.2596 -2.1346 -1.9737 -1.9665 5.1104 5.1527 5.2877 5.2950 5.6336 5.7440 5.8581 5.8669 6.5372 6.7665 7.0270 7.1070 9.3746 9.4059 10.4635 10.6906 11.2032 11.3111 11.7492 11.9179 12.6879 12.8107 13.9380 14.0398 k = 0.2760 0.4781 0.1896 ( 2756 PWs) bands (ev): -57.5157 -57.5157 -30.4216 -30.4144 -21.8216 -21.7893 -21.7020 -21.6955 -4.5796 -4.5796 -4.5231 -4.5229 -3.7767 -3.7766 -3.7064 -3.7064 -3.6263 -3.6260 -2.2798 -2.1581 -1.9839 -1.9766 5.0965 5.1344 5.3104 5.3161 5.6214 5.7246 5.8085 5.8136 6.6115 6.8430 7.0645 7.1475 9.2889 9.3192 10.4195 10.6424 11.2949 11.4021 11.8667 12.0369 12.6345 12.7665 14.0184 14.0966 k = 0.2708 0.4691 0.1896 ( 2756 PWs) bands (ev): -57.5159 -57.5159 -30.4209 -30.4138 -21.8200 -21.7892 -21.6993 -21.6938 -4.5803 -4.5802 -4.5243 -4.5241 -3.7786 -3.7785 -3.7070 -3.7070 -3.6242 -3.6240 -2.3022 -2.1839 -1.9952 -1.9878 5.0871 5.1195 5.3324 5.3355 5.6082 5.7034 5.7607 5.7615 6.6861 6.9201 7.1021 7.1884 9.2101 9.2398 10.3753 10.5945 11.3904 11.4968 11.9850 12.1558 12.5816 12.7192 14.0932 14.1522 k = 0.2656 0.4601 0.1896 ( 2758 PWs) bands (ev): -57.5160 -57.5160 -30.4201 -30.4131 -21.8181 -21.7888 -21.6967 -21.6920 -4.5810 -4.5809 -4.5256 -4.5254 -3.7806 -3.7805 -3.7074 -3.7074 -3.6224 -3.6222 -2.3267 -2.2120 -2.0074 -2.0001 5.0823 5.1085 5.3495 5.3502 5.5938 5.6806 5.7143 5.7186 6.7606 6.9971 7.1398 7.2295 9.1385 9.1678 10.3315 10.5473 11.4896 11.5951 12.1026 12.2693 12.5351 12.6709 14.1599 14.2046 k = 0.2604 0.4511 0.1896 ( 2750 PWs) bands (ev): -57.5162 -57.5162 -30.4191 -30.4124 -21.8158 -21.7881 -21.6939 -21.6901 -4.5817 -4.5816 -4.5268 -4.5266 -3.7826 -3.7825 -3.7077 -3.7077 -3.6209 -3.6207 -2.3532 -2.2423 -2.0206 -2.0133 5.0823 5.1013 5.3525 5.3582 5.5767 5.6558 5.6793 5.6885 6.8345 7.0727 7.1783 7.2704 9.0744 9.1034 10.2886 10.5014 11.5919 11.6968 12.2161 12.3507 12.5221 12.6259 14.2155 14.2517 k = 0.2552 0.4420 0.1896 ( 2750 PWs) bands (ev): -57.5165 -57.5165 -30.4181 -30.4116 -21.8134 -21.7872 -21.6912 -21.6883 -4.5825 -4.5824 -4.5281 -4.5279 -3.7846 -3.7846 -3.7079 -3.7079 -3.6196 -3.6194 -2.3818 -2.2748 -2.0348 -2.0275 5.0869 5.0980 5.3382 5.3493 5.5555 5.6283 5.6656 5.6777 6.9072 7.1438 7.2203 7.3113 9.0179 9.0466 10.2469 10.4571 11.6969 11.8016 12.3148 12.3491 12.5944 12.5954 14.2572 14.2913 k = 0.2500 0.4330 0.1896 ( 2750 PWs) bands (ev): -57.5167 -57.5167 -30.4171 -30.4107 -21.8107 -21.7860 -21.6884 -21.6864 -4.5833 -4.5833 -4.5295 -4.5293 -3.7867 -3.7867 -3.7080 -3.7080 -3.6186 -3.6184 -2.4122 -2.3094 -2.0499 -2.0427 5.0963 5.0983 5.3047 5.3195 5.5323 5.5986 5.6753 5.6876 6.9784 7.2028 7.2727 7.3521 8.9691 8.9973 10.2068 10.4147 11.8036 11.9093 12.3065 12.3682 12.6107 12.7110 14.2831 14.3205 k = 0.2448 0.4240 0.1896 ( 2754 PWs) bands (ev): -57.5169 -57.5169 -30.4160 -30.4099 -21.8077 -21.7846 -21.6857 -21.6845 -4.5842 -4.5841 -4.5308 -4.5306 -3.7887 -3.7887 -3.7080 -3.7080 -3.6178 -3.6177 -2.4446 -2.3460 -2.0658 -2.0588 5.1018 5.1101 5.2556 5.2719 5.5097 5.5674 5.7034 5.7145 7.0472 7.2459 7.3390 7.3930 8.9279 8.9556 10.1686 10.3743 11.9093 12.0192 12.2588 12.3587 12.6902 12.8388 14.2919 14.3360 k = 0.2396 0.4150 0.1896 ( 2754 PWs) bands (ev): -57.5172 -57.5172 -30.4148 -30.4089 -21.8045 -21.7829 -21.6830 -21.6825 -4.5851 -4.5850 -4.5321 -4.5320 -3.7907 -3.7907 -3.7080 -3.7079 -3.6174 -3.6173 -2.4786 -2.3844 -2.0827 -2.0757 5.1074 5.1282 5.1962 5.2130 5.4883 5.5346 5.7441 5.7536 7.1130 7.2797 7.4123 7.4347 8.8942 8.9211 10.1324 10.3363 12.0042 12.1291 12.2227 12.3211 12.8013 12.9707 14.2840 14.3344 k = 0.2344 0.4059 0.1896 ( 2760 PWs) bands (ev): -57.5175 -57.5175 -30.4137 -30.4080 -21.8011 -21.7810 -21.6806 -21.6803 -4.5860 -4.5860 -4.5335 -4.5333 -3.7927 -3.7927 -3.7079 -3.7078 -3.6173 -3.6172 -2.5144 -2.4245 -2.1003 -2.0935 5.1103 5.1285 5.1513 5.1519 5.4685 5.5005 5.7934 5.8012 7.1749 7.3090 7.4777 7.4876 8.8678 8.8937 10.0985 10.3005 12.0514 12.2173 12.2370 12.2979 12.9229 13.1047 14.2605 14.3142 k = 0.2292 0.3969 0.1896 ( 2754 PWs) bands (ev): -57.5178 -57.5178 -30.4123 -30.4069 -21.7973 -21.7787 -21.6785 -21.6776 -4.5870 -4.5869 -4.5348 -4.5346 -3.7946 -3.7946 -3.7077 -3.7077 -3.6174 -3.6173 -2.5518 -2.4663 -2.1186 -2.1121 5.0588 5.0671 5.1316 5.1766 5.4511 5.4657 5.8492 5.8552 7.2320 7.3356 7.5227 7.5630 8.8483 8.8729 10.0670 10.2672 12.0315 12.1980 12.3218 12.3811 13.0488 13.2398 14.2229 14.2767 k = 0.2240 0.3879 0.1896 ( 2754 PWs) bands (ev): -57.5181 -57.5181 -30.4110 -30.4057 -21.7933 -21.7762 -21.6765 -21.6748 -4.5880 -4.5880 -4.5361 -4.5360 -3.7965 -3.7964 -3.7076 -3.7075 -3.6178 -3.6177 -2.5906 -2.5095 -2.1377 -2.1314 4.9856 4.9952 5.1359 5.2038 5.4318 5.4382 5.9102 5.9143 7.2837 7.3602 7.5704 7.6378 8.8354 8.8584 10.0379 10.2362 11.9887 12.1482 12.4329 12.4956 13.1764 13.3752 14.1728 14.2248 k = 0.2188 0.3789 0.1896 ( 2746 PWs) bands (ev): -57.5184 -57.5184 -30.4095 -30.4045 -21.7891 -21.7734 -21.6744 -21.6721 -4.5891 -4.5890 -4.5374 -4.5373 -3.7983 -3.7982 -3.7074 -3.7073 -3.6184 -3.6184 -2.6308 -2.5541 -2.1574 -2.1513 4.9104 4.9196 5.1374 5.2289 5.4024 5.4324 5.9755 5.9777 7.3300 7.3833 7.6208 7.7113 8.8284 8.8495 10.0113 10.2076 11.9416 12.0963 12.5515 12.6134 13.3046 13.5098 14.1121 14.1616 k = 0.2135 0.3699 0.1896 ( 2754 PWs) bands (ev): -57.5188 -57.5188 -30.4081 -30.4033 -21.7847 -21.7705 -21.6724 -21.6694 -4.5902 -4.5901 -4.5388 -4.5386 -3.8000 -3.7999 -3.7073 -3.7072 -3.6193 -3.6193 -2.6722 -2.5999 -2.1777 -2.1719 4.8341 4.8425 5.1319 5.2423 5.3872 5.4365 6.0446 6.0447 7.3710 7.4054 7.6737 7.7832 8.8269 8.8457 9.9872 10.1812 11.8948 12.0451 12.6726 12.7315 13.4326 13.6425 14.0428 14.0900 k = 0.2083 0.3608 0.1896 ( 2750 PWs) bands (ev): -57.5191 -57.5191 -30.4065 -30.4020 -21.7801 -21.7672 -21.6702 -21.6667 -4.5913 -4.5912 -4.5401 -4.5399 -3.8017 -3.8016 -3.7072 -3.7071 -3.6204 -3.6204 -2.7147 -2.6467 -2.1985 -2.1930 4.7571 4.7648 5.1175 5.2314 5.3987 5.4519 6.1151 6.1171 7.4077 7.4268 7.7285 7.8532 8.8302 8.8465 9.9656 10.1569 11.8501 11.9957 12.7937 12.8479 13.5599 13.7707 13.9679 14.0129 k = 0.2031 0.3518 0.1896 ( 2746 PWs) bands (ev): -57.5195 -57.5195 -30.4049 -30.4006 -21.7753 -21.7638 -21.6680 -21.6640 -4.5925 -4.5924 -4.5413 -4.5412 -3.8033 -3.8032 -3.7071 -3.7071 -3.6217 -3.6216 -2.7582 -2.6944 -2.2198 -2.2146 4.6798 4.6867 5.0947 5.2002 5.4329 5.4781 6.1885 6.1928 7.4411 7.4480 7.7841 7.9208 8.8376 8.8513 9.9465 10.1347 11.8081 11.9486 12.9129 12.9611 13.6852 13.8694 13.9112 13.9335 k = 0.1979 0.3428 0.1896 ( 2750 PWs) bands (ev): -57.5198 -57.5198 -30.4034 -30.3993 -21.7704 -21.7603 -21.6658 -21.6612 -4.5937 -4.5936 -4.5427 -4.5425 -3.8049 -3.8047 -3.7072 -3.7071 -3.6231 -3.6230 -2.8025 -2.7429 -2.2415 -2.2366 4.6026 4.6088 5.0648 5.1589 5.4795 5.5137 6.2646 6.2712 7.4693 7.4722 7.8398 7.9858 8.8486 8.8594 9.9298 10.1144 11.7695 11.9041 13.0276 13.0691 13.7922 13.8004 13.8706 14.0070 k = 0.1927 0.3338 0.1896 ( 2750 PWs) bands (ev): -57.5202 -57.5202 -30.4017 -30.3979 -21.7654 -21.7566 -21.6635 -21.6584 -4.5949 -4.5948 -4.5440 -4.5439 -3.8063 -3.8061 -3.7073 -3.7072 -3.6246 -3.6245 -2.8475 -2.7919 -2.2636 -2.2589 4.5257 4.5313 5.0295 5.1127 5.5334 5.5571 6.3431 6.3523 7.4911 7.5020 7.8945 8.0477 8.8626 8.8703 9.9155 10.0958 11.7345 11.8625 13.1352 13.1697 13.7175 13.7528 13.9543 14.0943 k = 0.1875 0.3248 0.1896 ( 2752 PWs) bands (ev): -57.5206 -57.5206 -30.4001 -30.3965 -21.7604 -21.7528 -21.6611 -21.6556 -4.5962 -4.5961 -4.5453 -4.5452 -3.8077 -3.8075 -3.7075 -3.7075 -3.6262 -3.6261 -2.8931 -2.8414 -2.2860 -2.2816 4.4495 4.4545 4.9900 5.0636 5.5925 5.6070 6.4238 6.4357 7.5137 7.5313 7.9477 8.1062 8.8789 8.8834 9.9035 10.0788 11.7035 11.8240 13.2322 13.2607 13.6346 13.6737 14.0805 14.1549 k = 0.1823 0.3157 0.1896 ( 2756 PWs) bands (ev): -57.5210 -57.5210 -30.3984 -30.3950 -21.7553 -21.7488 -21.6586 -21.6527 -4.5975 -4.5974 -4.5466 -4.5465 -3.8091 -3.8088 -3.7079 -3.7079 -3.6279 -3.6278 -2.9391 -2.8913 -2.3086 -2.3045 4.3741 4.3785 4.9472 5.0125 5.6559 5.6623 6.5065 6.5212 7.5375 7.5607 7.9986 8.1609 8.8970 8.8983 9.8939 10.0633 11.6766 11.7887 13.3148 13.3397 13.5534 13.5949 14.1969 14.2115 k = 0.1771 0.3067 0.1896 ( 2756 PWs) bands (ev): -57.5214 -57.5214 -30.3966 -30.3935 -21.7501 -21.7448 -21.6560 -21.6497 -4.5988 -4.5987 -4.5479 -4.5479 -3.8104 -3.8101 -3.7085 -3.7084 -3.6295 -3.6294 -2.9854 -2.9412 -2.3313 -2.3275 4.2997 4.3036 4.9020 4.9599 5.7224 5.7231 6.5909 6.6087 7.5628 7.5909 8.0468 8.2115 8.9145 8.9165 9.8864 10.0491 11.6540 11.7568 13.3790 13.4034 13.4759 13.5216 14.2330 14.3452 k = 0.1719 0.2977 0.1896 ( 2748 PWs) bands (ev): -57.5218 -57.5218 -30.3948 -30.3919 -21.7449 -21.7407 -21.6532 -21.6467 -4.6001 -4.6001 -4.5493 -4.5492 -3.8116 -3.8113 -3.7092 -3.7091 -3.6311 -3.6309 -3.0318 -2.9912 -2.3542 -2.3507 4.2264 4.2299 4.8548 4.9063 5.7868 5.7936 6.6767 6.6977 7.5897 7.6223 8.0917 8.2575 8.9317 8.9369 9.8812 10.0361 11.6359 11.7285 13.3930 13.4226 13.4333 13.4835 14.2696 14.4698 k = 0.1667 0.2887 0.1896 ( 2746 PWs) bands (ev): -57.5222 -57.5222 -30.3930 -30.3903 -21.7399 -21.7366 -21.6502 -21.6435 -4.6015 -4.6014 -4.5506 -4.5506 -3.8127 -3.8124 -3.7102 -3.7101 -3.6326 -3.6323 -3.0783 -3.0411 -2.3771 -2.3738 4.1545 4.1576 4.8061 4.8518 5.8550 5.8673 6.7637 6.7881 7.6185 7.6553 8.1330 8.2988 8.9494 8.9579 9.8779 10.0241 11.6222 11.7038 13.3261 13.3667 13.4577 13.5126 14.3062 14.4917 k = 0.1615 0.2797 0.1896 ( 2746 PWs) bands (ev): -57.5227 -57.5227 -30.3912 -30.3887 -21.7349 -21.7326 -21.6471 -21.6402 -4.6029 -4.6028 -4.5520 -4.5520 -3.8139 -3.8135 -3.7113 -3.7112 -3.6340 -3.6337 -3.1247 -3.0907 -2.4000 -2.3970 4.0841 4.0869 4.7562 4.7968 5.9266 5.9438 6.8517 6.8797 7.6493 7.6901 8.1704 8.3349 8.9675 8.9789 9.8765 10.0131 11.6132 11.6830 13.2605 13.3053 13.4700 13.5408 14.3389 14.4648 k = 0.1562 0.2706 0.1896 ( 2750 PWs) bands (ev): -57.5231 -57.5231 -30.3895 -30.3871 -21.7302 -21.7286 -21.6438 -21.6368 -4.6043 -4.6043 -4.5535 -4.5534 -3.8150 -3.8146 -3.7128 -3.7127 -3.6352 -3.6349 -3.1708 -3.1399 -2.4228 -2.4200 4.0153 4.0177 4.7054 4.7414 6.0015 6.0229 6.9402 6.9719 7.6825 7.7270 8.2037 8.3658 8.9855 8.9999 9.8766 10.0028 11.6088 11.6663 13.1999 13.2482 13.4705 13.5603 14.3634 14.4299 k = 0.1510 0.2616 0.1896 ( 2750 PWs) bands (ev): -57.5235 -57.5235 -30.3877 -30.3855 -21.7256 -21.7248 -21.6402 -21.6332 -4.6058 -4.6057 -4.5549 -4.5549 -3.8160 -3.8156 -3.7144 -3.7143 -3.6363 -3.6359 -3.2166 -3.1886 -2.4454 -2.4429 3.9482 3.9503 4.6540 4.6859 6.0792 6.1044 7.0290 7.0647 7.7181 7.7663 8.2327 8.3913 9.0034 9.0205 9.8779 9.9929 11.6091 11.6539 13.1448 13.1966 13.4621 13.5718 14.3771 14.3900 k = 0.1458 0.2526 0.1896 ( 2750 PWs) bands (ev): -57.5239 -57.5239 -30.3858 -30.3839 -21.7213 -21.7210 -21.6364 -21.6294 -4.6073 -4.6072 -4.5564 -4.5563 -3.8171 -3.8166 -3.7163 -3.7162 -3.6372 -3.6368 -3.2619 -3.2367 -2.4678 -2.4656 3.8830 3.8848 4.6022 4.6304 6.1596 6.1882 7.1179 7.1575 7.7563 7.8080 8.2573 8.4116 9.0209 9.0405 9.8801 9.9834 11.6143 11.6461 13.0956 13.1508 13.4475 13.5766 14.3460 14.3792 k = 0.1406 0.2436 0.1896 ( 2750 PWs) bands (ev): -57.5244 -57.5244 -30.3840 -30.3823 -21.7175 -21.7172 -21.6323 -21.6255 -4.6088 -4.6087 -4.5579 -4.5578 -3.8181 -3.8176 -3.7184 -3.7183 -3.6379 -3.6375 -3.3065 -3.2839 -2.4900 -2.4880 3.8196 3.8212 4.5504 4.5752 6.2424 6.2739 7.2063 7.2500 7.7973 7.8522 8.2775 8.4266 9.0378 9.0598 9.8825 9.9740 11.6243 11.6433 13.0522 13.1110 13.4288 13.5760 14.2985 14.3703 k = 0.1354 0.2345 0.1896 ( 2750 PWs) bands (ev): -57.5248 -57.5248 -30.3823 -30.3806 -21.7141 -21.7135 -21.6280 -21.6214 -4.6103 -4.6102 -4.5594 -4.5594 -3.8191 -3.8186 -3.7207 -3.7206 -3.6386 -3.6381 -3.3503 -3.3302 -2.5119 -2.5101 3.7581 3.7595 4.4986 4.5204 6.3273 6.3614 7.2941 7.3417 7.8412 7.8991 8.2935 8.4367 9.0541 9.0781 9.8848 9.9643 11.6394 11.6457 13.0148 13.0770 13.4075 13.5712 14.2480 14.3516 k = 0.1302 0.2255 0.1896 ( 2752 PWs) bands (ev): -57.5252 -57.5252 -30.3805 -30.3790 -21.7109 -21.7100 -21.6234 -21.6171 -4.6118 -4.6118 -4.5610 -4.5610 -3.8201 -3.8196 -3.7232 -3.7231 -3.6392 -3.6386 -3.3931 -3.3754 -2.5334 -2.5318 3.6988 3.7000 4.4471 4.4662 6.4140 6.4504 7.3809 7.4321 7.8882 7.9486 8.3055 8.4422 9.0696 9.0954 9.8862 9.9542 11.6538 11.6594 12.9832 13.0486 13.3846 13.5634 14.1950 14.3248 k = 0.1250 0.2165 0.1896 ( 2756 PWs) bands (ev): -57.5257 -57.5257 -30.3788 -30.3775 -21.7079 -21.7069 -21.6186 -21.6127 -4.6134 -4.6133 -4.5626 -4.5626 -3.8211 -3.8206 -3.7258 -3.7257 -3.6399 -3.6392 -3.4347 -3.4193 -2.5545 -2.5531 3.6415 3.6425 4.3961 4.4128 6.5024 6.5406 7.4665 7.5207 7.9385 8.0006 8.3136 8.4434 9.0842 9.1117 9.8865 9.9434 11.6678 11.6846 12.9572 13.0255 13.3612 13.5532 14.1400 14.2911 k = 0.1198 0.2075 0.1896 ( 2760 PWs) bands (ev): -57.5261 -57.5261 -30.3771 -30.3759 -21.7051 -21.7040 -21.6137 -21.6082 -4.6150 -4.6149 -4.5642 -4.5642 -3.8222 -3.8216 -3.7285 -3.7285 -3.6409 -3.6399 -3.4749 -3.4616 -2.5751 -2.5738 3.5863 3.5872 4.3458 4.3602 6.5921 6.6319 7.5504 7.6071 7.9921 8.0549 8.3184 8.4408 9.0979 9.1268 9.8850 9.9316 11.6879 11.7148 12.9364 13.0073 13.3378 13.5414 14.0835 14.2520 k = 0.1146 0.1985 0.1896 ( 2762 PWs) bands (ev): -57.5265 -57.5265 -30.3754 -30.3744 -21.7026 -21.7014 -21.6086 -21.6035 -4.6166 -4.6165 -4.5658 -4.5658 -3.8233 -3.8227 -3.7314 -3.7313 -3.6426 -3.6413 -3.5130 -3.5019 -2.5951 -2.5940 3.5334 3.5341 4.2963 4.3088 6.6829 6.7240 7.6327 7.6906 8.0491 8.1111 8.3202 8.4350 9.1106 9.1407 9.8816 9.9189 11.7143 11.7500 12.9206 12.9937 13.3150 13.5285 14.0258 14.2086 k = 0.1094 0.1894 0.1896 ( 2770 PWs) bands (ev): -57.5269 -57.5269 -30.3738 -30.3729 -21.7003 -21.6991 -21.6034 -21.5988 -4.6182 -4.6181 -4.5675 -4.5675 -3.8245 -3.8238 -3.7342 -3.7342 -3.6458 -3.6440 -3.5481 -3.5393 -2.6146 -2.6137 3.4826 3.4833 4.2478 4.2586 6.7745 6.8165 7.7130 7.7710 8.1094 8.1685 8.3199 8.4263 9.1223 9.1534 9.8759 9.9050 11.7469 11.7902 12.9093 12.9840 13.2932 13.5151 13.9675 14.1617 k = 0.1042 0.1804 0.1896 ( 2774 PWs) bands (ev): -57.5273 -57.5273 -30.3722 -30.3715 -21.6982 -21.6970 -21.5980 -21.5939 -4.6198 -4.6197 -4.5691 -4.5691 -3.8258 -3.8251 -3.7371 -3.7371 -3.6528 -3.6498 -3.5781 -3.5720 -2.6335 -2.6327 3.4342 3.4347 4.2006 4.2097 6.8666 6.9092 7.7914 7.8480 8.1727 8.2250 8.3196 8.4152 9.1330 9.1649 9.8681 9.8900 11.7856 11.8350 12.9021 12.9778 13.2728 13.5014 13.9091 14.1123 k = 0.0990 0.1714 0.1896 ( 2774 PWs) bands (ev): -57.5277 -57.5277 -30.3707 -30.3700 -21.6962 -21.6952 -21.5927 -21.5890 -4.6214 -4.6213 -4.5707 -4.5707 -3.8274 -3.8265 -3.7400 -3.7399 -3.6670 -3.6625 -3.5991 -3.5960 -2.6518 -2.6511 3.3880 3.3884 4.1546 4.1624 6.9587 7.0017 7.8678 7.9217 8.2383 8.2708 8.3289 8.4024 9.1425 9.1751 9.8581 9.8739 11.8301 11.8843 12.8984 12.9747 13.2539 13.4876 13.8511 14.0611 k = 0.0938 0.1624 0.1896 ( 2774 PWs) bands (ev): -57.5280 -57.5280 -30.3692 -30.3686 -21.6945 -21.6935 -21.5873 -21.5841 -4.6230 -4.6229 -4.5723 -4.5723 -3.8292 -3.8282 -3.7428 -3.7428 -3.6894 -3.6842 -3.6101 -3.6090 -2.6693 -2.6687 3.3441 3.3444 4.1102 4.1167 7.0507 7.0937 7.9424 7.9921 8.2838 8.3055 8.3698 8.3884 9.1510 9.1840 9.8461 9.8570 11.8800 11.9377 12.8979 12.9741 13.2369 13.4740 13.7940 14.0088 k = 0.0885 0.1534 0.1896 ( 2778 PWs) bands (ev): -57.5284 -57.5284 -30.3677 -30.3672 -21.6929 -21.6921 -21.5820 -21.5793 -4.6245 -4.6245 -4.5739 -4.5739 -3.8316 -3.8304 -3.7456 -3.7455 -3.7159 -3.7113 -3.6150 -3.6146 -2.6861 -2.6856 3.3025 3.3028 4.0673 4.0728 7.1420 7.1848 8.0151 8.0595 8.2794 8.3688 8.3783 8.4264 9.1584 9.1916 9.8324 9.8393 11.9348 11.9949 12.9000 12.9756 13.2220 13.4604 13.7385 13.9559 k = 0.0833 0.1443 0.1896 ( 2776 PWs) bands (ev): -57.5287 -57.5287 -30.3663 -30.3659 -21.6915 -21.6908 -21.5768 -21.5745 -4.6261 -4.6261 -4.5754 -4.5754 -3.8350 -3.8336 -3.7482 -3.7482 -3.7425 -3.7390 -3.6169 -3.6168 -2.7021 -2.7017 3.2633 3.2635 4.0262 4.0308 7.2324 7.2746 8.0861 8.1237 8.2709 8.3584 8.4417 8.4854 9.1646 9.1978 9.8174 9.8212 11.9941 12.0553 12.9044 12.9788 13.2092 13.4468 13.6854 13.9030 k = 0.0781 0.1353 0.1896 ( 2784 PWs) bands (ev): -57.5291 -57.5291 -30.3651 -30.3647 -21.6903 -21.6896 -21.5718 -21.5699 -4.6276 -4.6276 -4.5770 -4.5769 -3.8402 -3.8385 -3.7671 -3.7647 -3.7508 -3.7508 -3.6176 -3.6176 -2.7173 -2.7170 3.2264 3.2266 3.9870 3.9907 7.3212 7.3627 8.1549 8.1837 8.2614 8.3457 8.5079 8.5438 9.1696 9.2025 9.8013 9.8027 12.0571 12.1185 12.9106 12.9834 13.1986 13.4326 13.6355 13.8508 k = 0.0729 0.1263 0.1896 ( 2780 PWs) bands (ev): -57.5294 -57.5294 -30.3638 -30.3635 -21.6891 -21.6886 -21.5669 -21.5653 -4.6291 -4.6291 -4.5784 -4.5784 -3.8490 -3.8467 -3.7871 -3.7858 -3.7533 -3.7532 -3.6176 -3.6176 -2.7317 -2.7314 3.1919 3.1921 3.9498 3.9528 7.4082 7.4485 8.2178 8.2352 8.2557 8.3399 8.5720 8.6005 9.1734 9.2058 9.7843 9.7845 12.1233 12.1839 12.9184 12.9890 13.1903 13.4170 13.5902 13.7996 k = 0.0677 0.1173 0.1896 ( 2780 PWs) bands (ev): -57.5297 -57.5297 -30.3626 -30.3623 -21.6881 -21.6877 -21.5622 -21.5609 -4.6306 -4.6306 -4.5798 -4.5798 -3.8625 -3.8600 -3.8009 -3.8005 -3.7556 -3.7556 -3.6172 -3.6172 -2.7451 -2.7449 3.1598 3.1599 3.9146 3.9170 7.4927 7.5315 8.2327 8.2633 8.2963 8.3563 8.6331 8.6546 9.1760 9.2075 9.7662 9.7675 12.1921 12.2511 12.9274 12.9954 13.1842 13.3991 13.5510 13.7499 k = 0.0625 0.1083 0.1896 ( 2774 PWs) bands (ev): -57.5299 -57.5299 -30.3614 -30.3612 -21.6872 -21.6868 -21.5577 -21.5567 -4.6320 -4.6320 -4.5811 -4.5811 -3.8799 -3.8777 -3.8091 -3.8091 -3.7578 -3.7577 -3.6166 -3.6166 -2.7577 -2.7576 3.1300 3.1301 3.8817 3.8835 7.5743 7.6113 8.2236 8.2636 8.3597 8.3997 8.6906 8.7056 9.1772 9.2074 9.7485 9.7505 12.2627 12.3193 12.9374 13.0022 13.1803 13.3776 13.5192 13.7023 k = 0.0573 0.0992 0.1896 ( 2774 PWs) bands (ev): -57.5302 -57.5302 -30.3604 -30.3602 -21.6864 -21.6861 -21.5535 -21.5527 -4.6333 -4.6333 -4.5823 -4.5823 -3.8991 -3.8973 -3.8140 -3.8139 -3.7598 -3.7598 -3.6159 -3.6159 -2.7694 -2.7693 3.1026 3.1027 3.8510 3.8525 7.6522 7.6871 8.2135 8.2537 8.4231 8.4529 8.7439 8.7532 9.1769 9.2055 9.7316 9.7339 12.3345 12.3880 12.9483 13.0095 13.1781 13.3524 13.4955 13.6573 k = 0.0521 0.0902 0.1896 ( 2780 PWs) bands (ev): -57.5304 -57.5304 -30.3595 -30.3593 -21.6858 -21.6856 -21.5496 -21.5490 -4.6346 -4.6346 -4.5835 -4.5835 -3.9183 -3.9169 -3.8171 -3.8169 -3.7617 -3.7617 -3.6151 -3.6151 -2.7801 -2.7800 3.0776 3.0777 3.8227 3.8238 7.7260 7.7584 8.2040 8.2414 8.4853 8.5080 8.7925 8.7968 9.1750 9.2015 9.7155 9.7179 12.4067 12.4563 12.9602 13.0170 13.1776 13.3247 13.4787 13.6152 k = 0.0469 0.0812 0.1896 ( 2780 PWs) bands (ev): -57.5306 -57.5306 -30.3586 -30.3585 -21.6852 -21.6850 -21.5460 -21.5456 -4.6358 -4.6358 -4.5845 -4.5845 -3.9365 -3.9355 -3.8191 -3.8190 -3.7634 -3.7634 -3.6143 -3.6143 -2.7899 -2.7898 3.0550 3.0551 3.7969 3.7977 7.7948 7.8244 8.1955 8.2292 8.5458 8.5630 8.8361 8.8364 9.1714 9.1954 9.7006 9.7028 12.4784 12.5235 12.9729 13.0248 13.1781 13.2964 13.4670 13.5768 k = 0.0417 0.0722 0.1896 ( 2780 PWs) bands (ev): -57.5308 -57.5308 -30.3578 -30.3577 -21.6847 -21.6846 -21.5427 -21.5424 -4.6369 -4.6369 -4.5855 -4.5855 -3.9533 -3.9526 -3.8205 -3.8204 -3.7649 -3.7649 -3.6136 -3.6136 -2.7987 -2.7986 3.0348 3.0348 3.7736 3.7741 7.8580 7.8843 8.1886 8.2179 8.6043 8.6170 8.8717 8.8746 9.1658 9.1870 9.6870 9.6888 12.5488 12.5885 12.9868 13.0329 13.1792 13.2694 13.4589 13.5425 k = 0.0365 0.0631 0.1896 ( 2772 PWs) bands (ev): -57.5310 -57.5310 -30.3570 -30.3570 -21.6842 -21.6841 -21.5397 -21.5395 -4.6379 -4.6379 -4.5864 -4.5864 -3.9685 -3.9680 -3.8215 -3.8215 -3.7662 -3.7662 -3.6129 -3.6129 -2.8065 -2.8064 3.0169 3.0169 3.7529 3.7532 7.9147 7.9371 8.1838 8.2084 8.6606 8.6695 8.9028 8.9078 9.1582 9.1762 9.6747 9.6761 12.6166 12.6502 13.0023 13.0417 13.1802 13.2447 13.4532 13.5128 k = 0.0312 0.0541 0.1896 ( 2764 PWs) bands (ev): -57.5311 -57.5311 -30.3563 -30.3563 -21.6838 -21.6837 -21.5371 -21.5370 -4.6387 -4.6387 -4.5871 -4.5871 -3.9818 -3.9815 -3.8223 -3.8223 -3.7674 -3.7674 -3.6122 -3.6122 -2.8132 -2.8132 3.0015 3.0015 3.7348 3.7350 7.9639 7.9820 8.1816 8.2011 8.7142 8.7200 8.9297 8.9357 9.1483 9.1629 9.6639 9.6649 12.6802 12.7070 13.0197 13.0515 13.1806 13.2232 13.4490 13.4883 k = 0.0260 0.0451 0.1896 ( 2760 PWs) bands (ev): -57.5312 -57.5312 -30.3558 -30.3558 -21.6834 -21.6834 -21.5349 -21.5348 -4.6395 -4.6395 -4.5877 -4.5877 -3.9932 -3.9931 -3.8230 -3.8230 -3.7684 -3.7684 -3.6117 -3.6117 -2.8190 -2.8190 2.9884 2.9884 3.7194 3.7195 8.0047 8.0178 8.1828 8.1967 8.7647 8.7680 8.9524 8.9585 9.1361 9.1473 9.6546 9.6552 12.7379 12.7573 13.0395 13.0630 13.1799 13.2050 13.4459 13.4693 k = 0.0208 0.0361 0.1896 ( 2768 PWs) bands (ev): -57.5314 -57.5314 -30.3554 -30.3554 -21.6832 -21.6832 -21.5332 -21.5331 -4.6401 -4.6401 -4.5883 -4.5883 -4.0027 -4.0026 -3.8235 -3.8235 -3.7693 -3.7693 -3.6112 -3.6112 -2.8237 -2.8237 2.9777 2.9777 3.7068 3.7068 8.0360 8.0441 8.1872 8.1957 8.8115 8.8130 8.9709 8.9762 9.1217 9.1295 9.6468 9.6472 12.7873 12.7994 13.0617 13.0768 13.1776 13.1904 13.4437 13.4557 k = 0.0156 0.0271 0.1896 ( 2770 PWs) bands (ev): -57.5314 -57.5314 -30.3551 -30.3551 -21.6831 -21.6830 -21.5317 -21.5317 -4.6406 -4.6406 -4.5887 -4.5887 -4.0101 -4.0100 -3.8239 -3.8238 -3.7699 -3.7699 -3.6108 -3.6108 -2.8274 -2.8274 2.9693 2.9693 3.6969 3.6969 8.0577 8.0616 8.1941 8.1981 8.8536 8.8540 8.9852 8.9891 9.1056 9.1103 9.6408 9.6409 12.8262 12.8322 13.0854 13.0932 13.1739 13.1790 13.4423 13.4472 k = 0.0104 0.0180 0.1896 ( 2762 PWs) bands (ev): -57.5315 -57.5315 -30.3548 -30.3548 -21.6829 -21.6829 -21.5307 -21.5307 -4.6410 -4.6410 -4.5890 -4.5890 -4.0153 -4.0153 -3.8241 -3.8241 -3.7704 -3.7704 -3.6105 -3.6105 -2.8300 -2.8300 2.9634 2.9634 3.6898 3.6898 8.0709 8.0721 8.2012 8.2025 8.8893 8.8894 8.9952 8.9972 9.0892 9.0913 9.6364 9.6365 12.8534 12.8553 13.1080 13.1109 13.1690 13.1702 13.4415 13.4429 k = 0.0052 0.0090 0.1896 ( 2766 PWs) bands (ev): -57.5315 -57.5315 -30.3547 -30.3547 -21.6828 -21.6828 -21.5301 -21.5301 -4.6412 -4.6412 -4.5892 -4.5892 -4.0185 -4.0185 -3.8242 -3.8242 -3.7706 -3.7706 -3.6104 -3.6104 -2.8316 -2.8316 2.9598 2.9598 3.6855 3.6855 8.0774 8.0775 8.2064 8.2065 8.9154 8.9154 9.0006 9.0010 9.0757 9.0761 9.6337 9.6338 12.8689 12.8691 13.1260 13.1265 13.1633 13.1633 13.4413 13.4415 k = 0.0000 0.0000 0.1896 ( 2770 PWs) bands (ev): -57.5316 -57.5316 -30.3547 -30.3547 -21.6828 -21.6828 -21.5299 -21.5299 -4.6413 -4.6413 -4.5893 -4.5893 -4.0196 -4.0196 -3.8243 -3.8243 -3.7707 -3.7707 -3.6103 -3.6103 -2.8321 -2.8321 2.9586 2.9586 3.6841 3.6841 8.0793 8.0793 8.2082 8.2082 8.9256 8.9256 9.0019 9.0019 9.0700 9.0700 9.6329 9.6329 12.8737 12.8737 13.1337 13.1337 13.1598 13.1598 13.4412 13.4412 k = 0.5000 0.2887 0.1896 ( 2768 PWs) bands (ev): -57.5167 -57.5167 -30.4143 -30.4143 -21.8354 -21.8354 -21.6483 -21.6483 -4.6105 -4.6105 -4.5381 -4.5381 -3.7782 -3.7782 -3.7438 -3.7438 -3.5495 -3.5495 -2.3383 -2.3383 -2.0478 -2.0478 4.2996 4.2996 5.1093 5.1093 5.6162 5.6162 6.0642 6.0642 7.3976 7.3976 8.7898 8.7898 8.9119 8.9119 9.5082 9.5082 10.1540 10.1540 13.6647 13.6647 14.0440 14.0440 14.4413 14.4413 k = 0.5000 0.2887 0.1790 ( 2766 PWs) bands (ev): -57.5167 -57.5167 -30.4143 -30.4143 -21.8353 -21.8353 -21.6483 -21.6483 -4.6105 -4.6104 -4.5382 -4.5381 -3.7782 -3.7782 -3.7438 -3.7438 -3.5496 -3.5495 -2.3394 -2.3360 -2.0500 -2.0467 4.2985 4.2991 5.1051 5.1148 5.5960 5.6264 6.0622 6.0828 7.3977 7.3978 8.7860 8.7925 8.9100 8.9128 9.4959 9.5012 10.1539 10.1642 13.6555 13.6776 14.0395 14.0466 14.4246 14.4524 k = 0.5000 0.2887 0.1685 ( 2758 PWs) bands (ev): -57.5167 -57.5167 -30.4142 -30.4142 -21.8353 -21.8353 -21.6483 -21.6483 -4.6105 -4.6104 -4.5382 -4.5380 -3.7783 -3.7782 -3.7439 -3.7437 -3.5496 -3.5495 -2.3395 -2.3326 -2.0533 -2.0467 4.2958 4.2969 5.1019 5.1214 5.5688 5.6259 6.0779 6.1154 7.3980 7.3984 8.7810 8.7941 8.9068 8.9126 9.4660 9.4753 10.1638 10.1831 13.6492 13.6947 14.0320 14.0480 14.3981 14.4592 k = 0.5000 0.2887 0.1580 ( 2754 PWs) bands (ev): -57.5167 -57.5167 -30.4142 -30.4142 -21.8353 -21.8353 -21.6482 -21.6482 -4.6106 -4.6103 -4.5382 -4.5379 -3.7784 -3.7783 -3.7439 -3.7437 -3.5496 -3.5494 -2.3384 -2.3282 -2.0577 -2.0479 4.2916 4.2931 5.0998 5.1293 5.5374 5.6160 6.1096 6.1588 7.3986 7.3991 8.7748 8.7945 8.9023 8.9115 9.4215 9.4332 10.1815 10.2077 13.6447 13.7160 14.0200 14.0489 14.3603 14.4585 k = 0.5000 0.2887 0.1474 ( 2742 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6106 -4.6103 -4.5383 -4.5379 -3.7785 -3.7783 -3.7439 -3.7437 -3.5496 -3.5494 -2.3363 -2.3228 -2.0631 -2.0501 4.2861 4.2880 5.0986 5.1383 5.5042 5.5997 6.1543 6.2105 7.3995 7.4002 8.7673 8.7939 8.8960 8.9095 9.3659 9.3785 10.2045 10.2353 13.6407 13.7415 14.0018 14.0497 14.3176 14.4455 k = 0.5000 0.2887 0.1369 ( 2748 PWs) bands (ev): -57.5167 -57.5167 -30.4142 -30.4142 -21.8352 -21.8352 -21.6482 -21.6482 -4.6107 -4.6103 -4.5383 -4.5379 -3.7787 -3.7785 -3.7440 -3.7437 -3.5497 -3.5494 -2.3330 -2.3164 -2.0695 -2.0534 4.2795 4.2816 5.0982 5.1483 5.4708 5.5798 6.2086 6.2684 7.4005 7.4014 8.7582 8.7922 8.8875 8.9065 9.3024 9.3148 10.2301 10.2638 13.6360 13.7704 13.9760 14.0503 14.2785 14.4238 k = 0.5000 0.2887 0.1264 ( 2744 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6102 -4.5383 -4.5378 -3.7789 -3.7787 -3.7440 -3.7437 -3.5497 -3.5494 -2.3287 -2.3091 -2.0768 -2.0578 4.2720 4.2743 5.0985 5.1591 5.4383 5.5584 6.2701 6.3313 7.4018 7.4029 8.7474 8.7893 8.8760 8.9023 9.2341 9.2462 10.2567 10.2917 13.6297 13.8016 13.9431 14.0510 14.2479 14.4027 k = 0.5000 0.2887 0.1159 ( 2744 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6103 -4.5384 -4.5378 -3.7791 -3.7789 -3.7441 -3.7437 -3.5497 -3.5494 -2.3234 -2.3009 -2.0850 -2.0632 4.2638 4.2663 5.0994 5.1705 5.4074 5.5368 6.3369 6.3979 7.4032 7.4045 8.7340 8.7848 8.8600 8.8967 9.1640 9.1765 10.2828 10.3178 13.6212 13.8320 13.9069 14.0516 14.2268 14.3871 k = 0.5000 0.2887 0.1053 ( 2744 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6108 -4.6103 -4.5384 -4.5378 -3.7793 -3.7791 -3.7441 -3.7438 -3.5497 -3.5494 -2.3170 -2.2919 -2.0941 -2.0696 4.2553 4.2578 5.1009 5.1820 5.3787 5.5159 6.4076 6.4673 7.4047 7.4062 8.7169 8.7773 8.8384 8.8889 9.0959 9.1109 10.3077 10.3417 13.6107 13.8393 13.8911 14.0520 14.2142 14.3781 k = 0.5000 0.2887 0.0948 ( 2738 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6108 -4.6103 -4.5384 -4.5378 -3.7795 -3.7793 -3.7442 -3.7438 -3.5498 -3.5494 -2.3097 -2.2821 -2.1039 -2.0770 4.2468 4.2492 5.1029 5.1933 5.3529 5.4959 6.4808 6.5384 7.4062 7.4079 8.6941 8.7609 8.8133 8.8776 9.0351 9.0549 10.3308 10.3631 13.5987 13.8046 13.9162 14.0523 14.2085 14.3747 k = 0.5000 0.2887 0.0843 ( 2730 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8351 -21.8351 -21.6481 -21.6481 -4.6108 -4.6103 -4.5384 -4.5378 -3.7797 -3.7795 -3.7442 -3.7438 -3.5498 -3.5495 -2.3016 -2.2717 -2.1143 -2.0852 4.2384 4.2407 5.1054 5.2033 5.3306 5.4770 6.5553 6.6101 7.4078 7.4097 8.6629 8.7230 8.7956 8.8612 8.9876 9.0123 10.3518 10.3818 13.5858 13.7633 13.9469 14.0524 14.2090 14.3752 k = 0.5000 0.2887 0.0737 ( 2732 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8351 -21.8351 -21.6481 -21.6481 -4.6108 -4.6103 -4.5384 -4.5378 -3.7800 -3.7798 -3.7442 -3.7439 -3.5498 -3.5495 -2.2926 -2.2608 -2.1253 -2.0942 4.2304 4.2325 5.1086 5.2105 5.3135 5.4592 6.6299 6.6811 7.4093 7.4114 8.6210 8.6650 8.7865 8.8405 8.9565 8.9826 10.3707 10.3978 13.5731 13.7232 13.9751 14.0525 14.2153 14.3776 k = 0.5000 0.2887 0.0632 ( 2730 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8351 -21.8351 -21.6481 -21.6481 -4.6108 -4.6104 -4.5384 -4.5379 -3.7802 -3.7800 -3.7442 -3.7439 -3.5498 -3.5495 -2.2829 -2.2493 -2.1369 -2.1039 4.2230 4.2249 5.1124 5.2128 5.3036 5.4425 6.7030 6.7500 7.4107 7.4130 8.5693 8.5977 8.7806 8.8201 8.9387 8.9623 10.3873 10.4112 13.5615 13.6861 13.9987 14.0525 14.2270 14.3801 k = 0.5000 0.2887 0.0527 ( 2730 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8351 -21.8351 -21.6481 -21.6481 -4.6108 -4.6104 -4.5383 -4.5379 -3.7803 -3.7802 -3.7442 -3.7440 -3.5498 -3.5495 -2.2725 -2.2375 -2.1488 -2.1143 4.2165 4.2181 5.1169 5.2086 5.3021 5.4265 6.7728 6.8147 7.4120 7.4144 8.5121 8.5289 8.7762 8.8035 8.9284 8.9481 10.4016 10.4219 13.5518 13.6528 14.0170 14.0526 14.2434 14.3813 k = 0.5000 0.2887 0.0421 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8351 -21.8351 -21.6481 -21.6481 -4.6108 -4.6105 -4.5383 -4.5379 -3.7805 -3.7804 -3.7443 -3.7440 -3.5498 -3.5496 -2.2615 -2.2254 -2.1609 -2.1253 4.2110 4.2123 5.1223 5.1995 5.3075 5.4113 6.8372 6.8730 7.4132 7.4155 8.4550 8.4640 8.7728 8.7911 8.9224 8.9378 10.4137 10.4302 13.5446 13.6236 14.0300 14.0527 14.2632 14.3802 k = 0.5000 0.2887 0.0316 ( 2738 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6108 -4.6106 -4.5383 -4.5380 -3.7806 -3.7805 -3.7443 -3.7441 -3.5498 -3.5496 -2.2500 -2.2135 -2.1730 -2.1368 4.2066 4.2075 5.1286 5.1880 5.3170 5.3966 6.8934 6.9219 7.4143 7.4164 8.4035 8.4076 8.7704 8.7821 8.9188 8.9302 10.4235 10.4360 13.5405 13.5987 14.0390 14.0527 14.2845 14.3760 k = 0.5000 0.2887 0.0211 ( 2738 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6108 -4.6106 -4.5383 -4.5381 -3.7807 -3.7806 -3.7443 -3.7441 -3.5498 -3.5496 -2.2381 -2.2029 -2.1836 -2.1486 4.2034 4.2040 5.1360 5.1761 5.3286 5.3823 6.9384 6.9585 7.4152 7.4168 8.3623 8.3638 8.7689 8.7759 8.9171 8.9246 10.4311 10.4395 13.5400 13.5783 14.0448 14.0524 14.3058 14.3685 k = 0.5000 0.2887 0.0105 ( 2738 PWs) bands (ev): -57.5167 -57.5167 -30.4141 -30.4141 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6106 -4.5382 -4.5381 -3.7807 -3.7807 -3.7442 -3.7442 -3.5498 -3.5497 -2.2260 -2.2032 -2.1834 -2.1607 4.2015 4.2018 5.1444 5.1646 5.3413 5.3683 6.9693 6.9797 7.4160 7.4169 8.3356 8.3359 8.7685 8.7717 8.9169 8.9206 10.4365 10.4407 13.5433 13.5623 14.0484 14.0518 14.3257 14.3575 k = 0.5000 0.2887-0.0000 ( 2734 PWs) bands (ev): -57.5166 -57.5166 -30.4140 -30.4140 -21.8352 -21.8352 -21.6481 -21.6481 -4.6107 -4.6107 -4.5382 -4.5382 -3.7807 -3.7807 -3.7442 -3.7442 -3.5497 -3.5497 -2.2140 -2.2140 -2.1727 -2.1727 4.2010 4.2010 5.1540 5.1540 5.3546 5.3546 6.9835 6.9835 7.4166 7.4166 8.3263 8.3263 8.7694 8.7694 8.9181 8.9181 10.4397 10.4397 13.5506 13.5506 14.0506 14.0506 14.3431 14.3431 k = 0.3333 0.5774-0.0000 ( 2736 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7209 -21.7061 -4.5757 -4.5749 -4.5155 -4.5153 -3.7673 -3.7631 -3.6943 -3.6942 -3.6495 -3.6491 -2.0605 -2.0538 -2.0380 -1.9004 5.2100 5.2315 5.2803 5.3251 5.3793 5.5078 5.9078 6.1448 6.8041 6.8382 6.9338 6.9983 9.8444 9.8587 10.1541 10.3254 10.4588 10.6955 11.2348 11.5700 12.8549 12.9506 13.3828 13.4021 k = 0.3333 0.5774 0.0105 ( 2736 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7209 -21.7061 -4.5757 -4.5749 -4.5155 -4.5153 -3.7673 -3.7632 -3.6943 -3.6942 -3.6495 -3.6491 -2.0646 -2.0536 -2.0338 -1.9005 5.2097 5.2311 5.2808 5.3255 5.3809 5.5093 5.9083 6.1455 6.7995 6.8340 6.9329 6.9972 9.8504 9.8644 10.1546 10.3260 10.4609 10.6976 11.2307 11.5649 12.8570 12.9507 13.3893 13.4075 k = 0.3333 0.5774 0.0211 ( 2727 PWs) bands (ev): -57.5148 -57.5148 -30.4252 -30.4170 -21.8278 -21.7839 -21.7208 -21.7061 -4.5756 -4.5749 -4.5154 -4.5152 -3.7672 -3.7632 -3.6942 -3.6942 -3.6495 -3.6491 -2.0729 -2.0531 -2.0255 -1.9009 5.2087 5.2299 5.2821 5.3266 5.3855 5.5139 5.9099 6.1477 6.7860 6.8215 6.9303 6.9939 9.8680 9.8815 10.1562 10.3280 10.4672 10.7040 11.2188 11.5499 12.8628 12.9508 13.4085 13.4237 k = 0.3333 0.5774 0.0316 ( 2733 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7208 -21.7061 -4.5757 -4.5749 -4.5155 -4.5153 -3.7672 -3.7633 -3.6942 -3.6942 -3.6495 -3.6491 -2.0822 -2.0523 -2.0160 -1.9015 5.2071 5.2279 5.2843 5.3285 5.3931 5.5215 5.9126 6.1511 6.7642 6.8011 6.9256 6.9885 9.8969 9.9093 10.1589 10.3313 10.4774 10.7145 11.1995 11.5259 12.8715 12.9509 13.4397 13.4507 k = 0.3333 0.5774 0.0421 ( 2733 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7208 -21.7061 -4.5757 -4.5750 -4.5155 -4.5153 -3.7671 -3.7634 -3.6942 -3.6942 -3.6495 -3.6491 -2.0917 -2.0511 -2.0064 -1.9023 5.2048 5.2252 5.2873 5.3311 5.4037 5.5321 5.9161 6.1558 6.7350 6.7735 6.9190 6.9813 9.9361 9.9471 10.1626 10.3358 10.4912 10.7288 11.1738 11.4944 12.8818 12.9511 13.4817 13.4881 k = 0.3333 0.5774 0.0527 ( 2733 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4170 -21.8278 -21.7839 -21.7208 -21.7061 -4.5757 -4.5750 -4.5155 -4.5153 -3.7670 -3.7636 -3.6942 -3.6942 -3.6495 -3.6491 -2.1010 -2.0497 -1.9969 -1.9034 5.2021 5.2219 5.2910 5.3343 5.4173 5.5457 5.9205 6.1616 6.6994 6.7393 6.9104 6.9724 9.9846 9.9937 10.1674 10.3417 10.5084 10.7464 11.1429 11.4569 12.8925 12.9513 13.5329 13.5355 k = 0.3333 0.5774 0.0632 ( 2739 PWs) bands (ev): -57.5148 -57.5148 -30.4253 -30.4171 -21.8279 -21.7840 -21.7209 -21.7061 -4.5757 -4.5751 -4.5155 -4.5153 -3.7669 -3.7638 -3.6942 -3.6942 -3.6495 -3.6492 -2.1101 -2.0480 -1.9877 -1.9046 5.1990 5.2181 5.2953 5.3381 5.4338 5.5622 5.9254 6.1682 6.6585 6.6997 6.9001 6.9621 10.0409 10.0479 10.1731 10.3489 10.5284 10.7668 11.1079 11.4150 12.9026 12.9517 13.5914 13.5919 k = 0.3333 0.5774 0.0737 ( 2751 PWs) bands (ev): -57.5148 -57.5148 -30.4254 -30.4172 -21.8279 -21.7841 -21.7209 -21.7062 -4.5757 -4.5752 -4.5155 -4.5153 -3.7668 -3.7640 -3.6943 -3.6943 -3.6495 -3.6492 -2.1187 -2.0460 -1.9788 -1.9061 5.1955 5.2140 5.3002 5.3425 5.4529 5.5815 5.9308 6.1754 6.6132 6.6554 6.8885 6.9507 10.1037 10.1082 10.1799 10.3573 10.5505 10.7895 11.0701 11.3703 12.9117 12.9522 13.6542 13.6560 k = 0.3333 0.5774 0.0843 ( 2751 PWs) bands (ev): -57.5148 -57.5148 -30.4254 -30.4172 -21.8279 -21.7841 -21.7209 -21.7062 -4.5757 -4.5753 -4.5155 -4.5153 -3.7667 -3.7642 -3.6943 -3.6943 -3.6495 -3.6492 -2.1268 -2.0439 -1.9705 -1.9076 5.1918 5.2097 5.3054 5.3472 5.4747 5.6036 5.9365 6.1832 6.5646 6.6076 6.8758 6.9386 10.1713 10.1730 10.1877 10.3669 10.5743 10.8137 11.0308 11.3242 12.9195 12.9528 13.7167 13.7263 k = 0.3333 0.5774 0.0948 ( 2751 PWs) bands (ev): -57.5148 -57.5148 -30.4254 -30.4171 -21.8279 -21.7841 -21.7209 -21.7062 -4.5758 -4.5753 -4.5155 -4.5153 -3.7666 -3.7644 -3.6943 -3.6943 -3.6495 -3.6492 -2.1343 -2.0417 -1.9626 -1.9093 5.1880 5.2053 5.3109 5.3522 5.4989 5.6283 5.9423 6.1910 6.5136 6.5571 6.8625 6.9262 10.1963 10.2405 10.2418 10.3776 10.5988 10.8387 10.9912 11.2780 12.9259 12.9536 13.7677 13.8012 k = 0.3333 0.5774 0.1053 ( 2754 PWs) bands (ev): -57.5148 -57.5148 -30.4254 -30.4172 -21.8279 -21.7841 -21.7210 -21.7063 -4.5758 -4.5754 -4.5155 -4.5153 -3.7665 -3.7647 -3.6943 -3.6943 -3.6495 -3.6492 -2.1412 -2.0395 -1.9555 -1.9110 5.1842 5.2009 5.3165 5.3573 5.5252 5.6554 5.9480 6.1989 6.4614 6.5049 6.8492 6.9138 10.2057 10.3090 10.3133 10.3892 10.6235 10.8637 10.9524 11.2328 12.9311 12.9546 13.7811 13.8785 k = 0.3333 0.5774 0.1159 ( 2760 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4172 -21.8279 -21.7841 -21.7210 -21.7063 -4.5758 -4.5755 -4.5155 -4.5153 -3.7664 -3.7649 -3.6944 -3.6943 -3.6495 -3.6492 -2.1474 -2.0372 -1.9490 -1.9127 5.1805 5.1968 5.3219 5.3624 5.5532 5.6847 5.9535 6.2064 6.4090 6.4520 6.8361 6.9017 10.2156 10.3767 10.3835 10.4014 10.6475 10.8878 10.9158 11.1897 12.9353 12.9558 13.7388 13.9565 k = 0.3333 0.5774 0.1264 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5756 -4.5156 -4.5153 -3.7662 -3.7651 -3.6944 -3.6943 -3.6496 -3.6492 -2.1529 -2.0350 -1.9433 -1.9144 5.1772 5.1930 5.3271 5.3672 5.5825 5.7158 5.9585 6.2135 6.3574 6.3994 6.8238 6.8905 10.2258 10.4140 10.4414 10.4498 10.6700 10.8826 10.9100 11.1499 12.9386 12.9573 13.6686 14.0137 k = 0.3333 0.5774 0.1369 ( 2772 PWs) bands (ev): -57.5149 -57.5149 -30.4256 -30.4173 -21.8281 -21.7842 -21.7211 -21.7063 -4.5758 -4.5757 -4.5156 -4.5153 -3.7662 -3.7653 -3.6944 -3.6943 -3.6496 -3.6492 -2.1577 -2.0330 -1.9383 -1.9160 5.1741 5.1895 5.3319 5.3717 5.6122 5.7480 5.9630 6.2197 6.3080 6.3481 6.8126 6.8803 10.2359 10.4264 10.5014 10.5095 10.6902 10.8545 10.9292 11.1148 12.9411 12.9590 13.5946 13.9364 k = 0.3333 0.5774 0.1474 ( 2772 PWs) bands (ev): -57.5149 -57.5149 -30.4256 -30.4173 -21.8281 -21.7842 -21.7211 -21.7063 -4.5758 -4.5757 -4.5156 -4.5153 -3.7661 -3.7654 -3.6944 -3.6943 -3.6496 -3.6492 -2.1616 -2.0312 -1.9342 -1.9174 5.1715 5.1866 5.3360 5.3755 5.6413 5.7805 5.9668 6.2250 6.2623 6.2996 6.8030 6.8715 10.2455 10.4381 10.5544 10.5592 10.7075 10.8332 10.9443 11.0858 12.9429 12.9607 13.5266 13.8692 k = 0.3333 0.5774 0.1580 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5757 -4.5156 -4.5153 -3.7660 -3.7655 -3.6944 -3.6943 -3.6496 -3.6492 -2.1646 -2.0297 -1.9310 -1.9185 5.1694 5.1842 5.3394 5.3787 5.6681 5.8117 5.9699 6.2223 6.2284 6.2566 6.7951 6.8644 10.2540 10.4483 10.5961 10.5987 10.7211 10.8202 10.9541 11.0644 12.9443 12.9625 13.4694 13.8141 k = 0.3333 0.5774 0.1685 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5758 -4.5156 -4.5153 -3.7659 -3.7656 -3.6944 -3.6943 -3.6496 -3.6492 -2.1668 -2.0286 -1.9287 -1.9194 5.1679 5.1825 5.3420 5.3811 5.6903 5.8390 5.9722 6.1903 6.2157 6.2357 6.7893 6.8592 10.2607 10.4565 10.6191 10.6323 10.7308 10.8154 10.9584 11.0513 12.9452 12.9640 13.4263 13.7731 k = 0.3333 0.5774 0.1790 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5758 -4.5156 -4.5153 -3.7659 -3.7657 -3.6944 -3.6943 -3.6496 -3.6492 -2.1682 -2.0279 -1.9273 -1.9200 5.1670 5.1814 5.3435 5.3826 5.7054 5.8586 5.9735 6.1694 6.1919 6.2363 6.7857 6.8560 10.2650 10.4617 10.6304 10.6535 10.7363 10.8155 10.9589 11.0453 12.9457 12.9650 13.3995 13.7478 k = 0.3333 0.5774 0.1896 ( 2766 PWs) bands (ev): -57.5149 -57.5149 -30.4255 -30.4173 -21.8281 -21.7842 -21.7210 -21.7063 -4.5758 -4.5758 -4.5156 -4.5153 -3.7659 -3.7657 -3.6944 -3.6943 -3.6496 -3.6492 -2.1686 -2.0277 -1.9268 -1.9202 5.1666 5.1811 5.3441 5.3831 5.7108 5.8659 5.9740 6.1621 6.1829 6.2367 6.7845 6.8549 10.2665 10.4635 10.6336 10.6607 10.7380 10.8162 10.9586 11.0437 12.9458 12.9653 13.3904 13.7392 Writing output data file TaInS2.save init_run : 3.88s CPU 14.21s WALL ( 1 calls) electrons : 416.78s CPU 422.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 416.77s CPU 421.83s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.99s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.13s CPU 0.56s WALL ( 1 calls) newd : 0.52s CPU 0.65s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 365 calls) cegterg : 377.78s CPU 380.62s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 170.18s CPU 175.95s WALL ( 8725 calls) s_psi : 23.09s CPU 23.43s WALL ( 8725 calls) g_psi : 0.31s CPU 0.37s WALL ( 7812 calls) cdiaghg : 137.58s CPU 135.99s WALL ( 8177 calls) cegterg:over : 34.81s CPU 32.39s WALL ( 7812 calls) cegterg:upda : 4.50s CPU 6.71s WALL ( 7812 calls) cegterg:last : 4.30s CPU 4.99s WALL ( 1736 calls) Called by h_psi: h_psi:vloc : 127.71s CPU 131.95s WALL ( 8725 calls) h_psi:vnl : 42.37s CPU 43.51s WALL ( 8725 calls) add_vuspsi : 14.04s CPU 17.10s WALL ( 8725 calls) General routines calbec : 28.30s CPU 26.34s WALL ( 8725 calls) fft : 0.32s CPU 1.36s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 123.40s CPU 126.09s WALL ( 991832 calls) interpolate : 0.01s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 1.17s WALL ( 730 calls) Parallel routines fft_scatter : 86.69s CPU 84.91s WALL ( 991855 calls) PWSCF : 7m49.94s CPU 9m26.38s WALL This run was terminated on: 15:52:35 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=