Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 8:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Nb2CS2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 14 4 1471 655 106 Max 24 15 5 1488 674 117 Sum 859 511 151 53283 24005 3993 bravais-lattice index = 14 lattice parameter (alat) = 6.1775 a.u. unit-cell volume = 533.7903 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.177514 celldm(2)= 1.000000 celldm(3)= 2.614561 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 2.614561 ) 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 0.382473 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0089286 0.0051549 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0178571 0.0103098 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0267857 0.0154647 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0446429 0.0257746 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0535714 0.0309295 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0803571 0.0463942 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0892857 0.0515491 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0982143 0.0567040 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1160714 0.0670139 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1339286 0.0773237 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1517857 0.0876335 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1607143 0.0927884 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1696429 0.0979434 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1964286 0.1134081 -0.0000000), wk = 0.0026738 k( 24) = ( 0.2053571 0.1185630 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2232143 0.1288728 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2321429 0.1340277 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2410714 0.1391827 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2589286 0.1494925 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2678571 0.1546474 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2767857 0.1598023 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2946429 0.1701121 -0.0000000), wk = 0.0026738 k( 35) = ( 0.3035714 0.1752670 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3303571 0.1907318 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3392857 0.1958867 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3482143 0.2010416 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3660714 0.2113514 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3839286 0.2216613 -0.0000000), wk = 0.0026738 k( 45) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0026738 k( 46) = ( 0.4017857 0.2319711 -0.0000000), wk = 0.0026738 k( 47) = ( 0.4107143 0.2371260 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4196429 0.2422809 -0.0000000), wk = 0.0026738 k( 49) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0026738 k( 50) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0026738 k( 51) = ( 0.4464286 0.2577457 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4553571 0.2629006 -0.0000000), wk = 0.0026738 k( 53) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0026738 k( 54) = ( 0.4732143 0.2732104 -0.0000000), wk = 0.0026738 k( 55) = ( 0.4821429 0.2783653 -0.0000000), wk = 0.0026738 k( 56) = ( 0.4910714 0.2835202 -0.0000000), wk = 0.0026738 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 58) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 59) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0026738 k( 60) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0026738 k( 61) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0026738 k( 62) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0026738 k( 63) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0026738 k( 64) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0026738 k( 65) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0026738 k( 66) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0026738 k( 68) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0026738 k( 69) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026738 k( 70) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0026738 k( 71) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0026738 k( 72) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0026738 k( 73) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0026738 k( 74) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0026738 k( 75) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0026738 k( 76) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0026738 k( 77) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0026738 k( 78) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0026738 k( 79) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0026738 k( 80) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026738 k( 81) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0026738 k( 82) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0026738 k( 83) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0026738 k( 84) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0026738 k( 85) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0026738 k( 86) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0026738 k( 87) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0026738 k( 88) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0026738 k( 89) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0026738 k( 91) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 92) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 93) = ( 0.3282051 0.5684680 -0.0000000), wk = 0.0026738 k( 94) = ( 0.3230769 0.5595856 -0.0000000), wk = 0.0026738 k( 95) = ( 0.3179487 0.5507033 -0.0000000), wk = 0.0026738 k( 96) = ( 0.3128205 0.5418210 -0.0000000), wk = 0.0026738 k( 97) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0026738 k( 98) = ( 0.3025641 0.5240564 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2974359 0.5151741 -0.0000000), wk = 0.0026738 k( 100) = ( 0.2923077 0.5062918 -0.0000000), wk = 0.0026738 k( 101) = ( 0.2871795 0.4974095 -0.0000000), wk = 0.0026738 k( 102) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0026738 k( 103) = ( 0.2769231 0.4796448 -0.0000000), wk = 0.0026738 k( 104) = ( 0.2717949 0.4707625 -0.0000000), wk = 0.0026738 k( 105) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0026738 k( 106) = ( 0.2615385 0.4529979 -0.0000000), wk = 0.0026738 k( 107) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0026738 k( 108) = ( 0.2512820 0.4352333 -0.0000000), wk = 0.0026738 k( 109) = ( 0.2461539 0.4263510 -0.0000000), wk = 0.0026738 k( 110) = ( 0.2410256 0.4174687 -0.0000000), wk = 0.0026738 k( 111) = ( 0.2358974 0.4085864 -0.0000000), wk = 0.0026738 k( 112) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0026738 k( 113) = ( 0.2256410 0.3908217 -0.0000000), wk = 0.0026738 k( 114) = ( 0.2205128 0.3819394 -0.0000000), wk = 0.0026738 k( 115) = ( 0.2153846 0.3730571 -0.0000000), wk = 0.0026738 k( 116) = ( 0.2102564 0.3641748 -0.0000000), wk = 0.0026738 k( 117) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0026738 k( 118) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0026738 k( 119) = ( 0.1948718 0.3375278 -0.0000000), wk = 0.0026738 k( 120) = ( 0.1897436 0.3286455 -0.0000000), wk = 0.0026738 k( 121) = ( 0.1846154 0.3197632 -0.0000000), wk = 0.0026738 k( 122) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0026738 k( 123) = ( 0.1743590 0.3019986 -0.0000000), wk = 0.0026738 k( 124) = ( 0.1692308 0.2931163 -0.0000000), wk = 0.0026738 k( 125) = ( 0.1641026 0.2842340 -0.0000000), wk = 0.0026738 k( 126) = ( 0.1589744 0.2753517 -0.0000000), wk = 0.0026738 k( 127) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0026738 k( 128) = ( 0.1487179 0.2575870 -0.0000000), wk = 0.0026738 k( 129) = ( 0.1435897 0.2487047 -0.0000000), wk = 0.0026738 k( 130) = ( 0.1384615 0.2398224 -0.0000000), wk = 0.0026738 k( 131) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0026738 k( 132) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0026738 k( 133) = ( 0.1230769 0.2131755 -0.0000000), wk = 0.0026738 k( 134) = ( 0.1179487 0.2042932 -0.0000000), wk = 0.0026738 k( 135) = ( 0.1128205 0.1954109 -0.0000000), wk = 0.0026738 k( 136) = ( 0.1076923 0.1865286 -0.0000000), wk = 0.0026738 k( 137) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0026738 k( 138) = ( 0.0974359 0.1687639 -0.0000000), wk = 0.0026738 k( 139) = ( 0.0923077 0.1598816 -0.0000000), wk = 0.0026738 k( 140) = ( 0.0871795 0.1509993 -0.0000000), wk = 0.0026738 k( 141) = ( 0.0820513 0.1421170 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0026738 k( 143) = ( 0.0717949 0.1243524 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0026738 k( 145) = ( 0.0615385 0.1065877 -0.0000000), wk = 0.0026738 k( 146) = ( 0.0564103 0.0977054 -0.0000000), wk = 0.0026738 k( 147) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0026738 k( 148) = ( 0.0461539 0.0799408 -0.0000000), wk = 0.0026738 k( 149) = ( 0.0410256 0.0710585 -0.0000000), wk = 0.0026738 k( 150) = ( 0.0358974 0.0621762 -0.0000000), wk = 0.0026738 k( 151) = ( 0.0307692 0.0532939 -0.0000000), wk = 0.0026738 k( 152) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0026738 k( 153) = ( 0.0205128 0.0355292 -0.0000000), wk = 0.0026738 k( 154) = ( 0.0153846 0.0266469 -0.0000000), wk = 0.0026738 k( 155) = ( 0.0102564 0.0177646 -0.0000000), wk = 0.0026738 k( 156) = ( 0.0051282 0.0088823 -0.0000000), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.0100651), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.0201302), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.0301953), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.0402604), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.0503254), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.0603905), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.0704556), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.0805207), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.0905858), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.1006509), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.1107160), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.1207811), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.1308462), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.1409112), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.1509763), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.1610414), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.1711065), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.1811716), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.1912367), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.1912367), wk = 0.0026738 k( 179) = ( 0.0089286 0.0051549 0.1912367), wk = 0.0026738 k( 180) = ( 0.0178571 0.0103098 0.1912367), wk = 0.0026738 k( 181) = ( 0.0267857 0.0154647 0.1912367), wk = 0.0026738 k( 182) = ( 0.0357143 0.0206197 0.1912367), wk = 0.0026738 k( 183) = ( 0.0446429 0.0257746 0.1912367), wk = 0.0026738 k( 184) = ( 0.0535714 0.0309295 0.1912367), wk = 0.0026738 k( 185) = ( 0.0625000 0.0360844 0.1912367), wk = 0.0026738 k( 186) = ( 0.0714286 0.0412393 0.1912367), wk = 0.0026738 k( 187) = ( 0.0803571 0.0463942 0.1912367), wk = 0.0026738 k( 188) = ( 0.0892857 0.0515491 0.1912367), wk = 0.0026738 k( 189) = ( 0.0982143 0.0567040 0.1912367), wk = 0.0026738 k( 190) = ( 0.1071429 0.0618590 0.1912367), wk = 0.0026738 k( 191) = ( 0.1160714 0.0670139 0.1912367), wk = 0.0026738 k( 192) = ( 0.1250000 0.0721688 0.1912367), wk = 0.0026738 k( 193) = ( 0.1339286 0.0773237 0.1912367), wk = 0.0026738 k( 194) = ( 0.1428571 0.0824786 0.1912367), wk = 0.0026738 k( 195) = ( 0.1517857 0.0876335 0.1912367), wk = 0.0026738 k( 196) = ( 0.1607143 0.0927884 0.1912367), wk = 0.0026738 k( 197) = ( 0.1696429 0.0979434 0.1912367), wk = 0.0026738 k( 198) = ( 0.1785714 0.1030983 0.1912367), wk = 0.0026738 k( 199) = ( 0.1875000 0.1082532 0.1912367), wk = 0.0026738 k( 200) = ( 0.1964286 0.1134081 0.1912367), wk = 0.0026738 k( 201) = ( 0.2053571 0.1185630 0.1912367), wk = 0.0026738 k( 202) = ( 0.2142857 0.1237179 0.1912367), wk = 0.0026738 k( 203) = ( 0.2232143 0.1288728 0.1912367), wk = 0.0026738 k( 204) = ( 0.2321429 0.1340277 0.1912367), wk = 0.0026738 k( 205) = ( 0.2410714 0.1391827 0.1912367), wk = 0.0026738 k( 206) = ( 0.2500000 0.1443376 0.1912367), wk = 0.0026738 k( 207) = ( 0.2589286 0.1494925 0.1912367), wk = 0.0026738 k( 208) = ( 0.2678571 0.1546474 0.1912367), wk = 0.0026738 k( 209) = ( 0.2767857 0.1598023 0.1912367), wk = 0.0026738 k( 210) = ( 0.2857143 0.1649572 0.1912367), wk = 0.0026738 k( 211) = ( 0.2946429 0.1701121 0.1912367), wk = 0.0026738 k( 212) = ( 0.3035714 0.1752670 0.1912367), wk = 0.0026738 k( 213) = ( 0.3125000 0.1804220 0.1912367), wk = 0.0026738 k( 214) = ( 0.3214286 0.1855769 0.1912367), wk = 0.0026738 k( 215) = ( 0.3303571 0.1907318 0.1912367), wk = 0.0026738 k( 216) = ( 0.3392857 0.1958867 0.1912367), wk = 0.0026738 k( 217) = ( 0.3482143 0.2010416 0.1912367), wk = 0.0026738 k( 218) = ( 0.3571429 0.2061965 0.1912367), wk = 0.0026738 k( 219) = ( 0.3660714 0.2113514 0.1912367), wk = 0.0026738 k( 220) = ( 0.3750000 0.2165064 0.1912367), wk = 0.0026738 k( 221) = ( 0.3839286 0.2216613 0.1912367), wk = 0.0026738 k( 222) = ( 0.3928571 0.2268162 0.1912367), wk = 0.0026738 k( 223) = ( 0.4017857 0.2319711 0.1912367), wk = 0.0026738 k( 224) = ( 0.4107143 0.2371260 0.1912367), wk = 0.0026738 k( 225) = ( 0.4196429 0.2422809 0.1912367), wk = 0.0026738 k( 226) = ( 0.4285714 0.2474358 0.1912367), wk = 0.0026738 k( 227) = ( 0.4375000 0.2525907 0.1912367), wk = 0.0026738 k( 228) = ( 0.4464286 0.2577457 0.1912367), wk = 0.0026738 k( 229) = ( 0.4553571 0.2629006 0.1912367), wk = 0.0026738 k( 230) = ( 0.4642857 0.2680555 0.1912367), wk = 0.0026738 k( 231) = ( 0.4732143 0.2732104 0.1912367), wk = 0.0026738 k( 232) = ( 0.4821429 0.2783653 0.1912367), wk = 0.0026738 k( 233) = ( 0.4910714 0.2835202 0.1912367), wk = 0.0026738 k( 234) = ( 0.5000000 0.2886751 0.1912367), wk = 0.0026738 k( 235) = ( 0.5000000 0.2886751 0.1912367), wk = 0.0026738 k( 236) = ( 0.4949495 0.2974229 0.1912367), wk = 0.0026738 k( 237) = ( 0.4898990 0.3061706 0.1912367), wk = 0.0026738 k( 238) = ( 0.4848485 0.3149183 0.1912367), wk = 0.0026738 k( 239) = ( 0.4797980 0.3236661 0.1912367), wk = 0.0026738 k( 240) = ( 0.4747475 0.3324138 0.1912367), wk = 0.0026738 k( 241) = ( 0.4696970 0.3411615 0.1912367), wk = 0.0026738 k( 242) = ( 0.4646465 0.3499093 0.1912367), wk = 0.0026738 k( 243) = ( 0.4595960 0.3586570 0.1912367), wk = 0.0026738 k( 244) = ( 0.4545455 0.3674047 0.1912367), wk = 0.0026738 k( 245) = ( 0.4494950 0.3761524 0.1912367), wk = 0.0026738 k( 246) = ( 0.4444444 0.3849002 0.1912367), wk = 0.0026738 k( 247) = ( 0.4393939 0.3936479 0.1912367), wk = 0.0026738 k( 248) = ( 0.4343434 0.4023956 0.1912367), wk = 0.0026738 k( 249) = ( 0.4292929 0.4111434 0.1912367), wk = 0.0026738 k( 250) = ( 0.4242424 0.4198911 0.1912367), wk = 0.0026738 k( 251) = ( 0.4191919 0.4286388 0.1912367), wk = 0.0026738 k( 252) = ( 0.4141414 0.4373866 0.1912367), wk = 0.0026738 k( 253) = ( 0.4090909 0.4461343 0.1912367), wk = 0.0026738 k( 254) = ( 0.4040404 0.4548820 0.1912367), wk = 0.0026738 k( 255) = ( 0.3989899 0.4636298 0.1912367), wk = 0.0026738 k( 256) = ( 0.3939394 0.4723775 0.1912367), wk = 0.0026738 k( 257) = ( 0.3888889 0.4811252 0.1912367), wk = 0.0026738 k( 258) = ( 0.3838384 0.4898730 0.1912367), wk = 0.0026738 k( 259) = ( 0.3787879 0.4986207 0.1912367), wk = 0.0026738 k( 260) = ( 0.3737374 0.5073684 0.1912367), wk = 0.0026738 k( 261) = ( 0.3686869 0.5161161 0.1912367), wk = 0.0026738 k( 262) = ( 0.3636364 0.5248639 0.1912367), wk = 0.0026738 k( 263) = ( 0.3585859 0.5336116 0.1912367), wk = 0.0026738 k( 264) = ( 0.3535354 0.5423593 0.1912367), wk = 0.0026738 k( 265) = ( 0.3484849 0.5511071 0.1912367), wk = 0.0026738 k( 266) = ( 0.3434343 0.5598548 0.1912367), wk = 0.0026738 k( 267) = ( 0.3383838 0.5686025 0.1912367), wk = 0.0026738 k( 268) = ( 0.3333333 0.5773503 0.1912367), wk = 0.0026738 k( 269) = ( 0.3333333 0.5773503 0.1912367), wk = 0.0026738 k( 270) = ( 0.3282051 0.5684680 0.1912367), wk = 0.0026738 k( 271) = ( 0.3230769 0.5595856 0.1912367), wk = 0.0026738 k( 272) = ( 0.3179487 0.5507033 0.1912367), wk = 0.0026738 k( 273) = ( 0.3128205 0.5418210 0.1912367), wk = 0.0026738 k( 274) = ( 0.3076923 0.5329387 0.1912367), wk = 0.0026738 k( 275) = ( 0.3025641 0.5240564 0.1912367), wk = 0.0026738 k( 276) = ( 0.2974359 0.5151741 0.1912367), wk = 0.0026738 k( 277) = ( 0.2923077 0.5062918 0.1912367), wk = 0.0026738 k( 278) = ( 0.2871795 0.4974095 0.1912367), wk = 0.0026738 k( 279) = ( 0.2820513 0.4885271 0.1912367), wk = 0.0026738 k( 280) = ( 0.2769231 0.4796448 0.1912367), wk = 0.0026738 k( 281) = ( 0.2717949 0.4707625 0.1912367), wk = 0.0026738 k( 282) = ( 0.2666667 0.4618802 0.1912367), wk = 0.0026738 k( 283) = ( 0.2615385 0.4529979 0.1912367), wk = 0.0026738 k( 284) = ( 0.2564103 0.4441156 0.1912367), wk = 0.0026738 k( 285) = ( 0.2512820 0.4352333 0.1912367), wk = 0.0026738 k( 286) = ( 0.2461539 0.4263510 0.1912367), wk = 0.0026738 k( 287) = ( 0.2410256 0.4174687 0.1912367), wk = 0.0026738 k( 288) = ( 0.2358974 0.4085864 0.1912367), wk = 0.0026738 k( 289) = ( 0.2307692 0.3997040 0.1912367), wk = 0.0026738 k( 290) = ( 0.2256410 0.3908217 0.1912367), wk = 0.0026738 k( 291) = ( 0.2205128 0.3819394 0.1912367), wk = 0.0026738 k( 292) = ( 0.2153846 0.3730571 0.1912367), wk = 0.0026738 k( 293) = ( 0.2102564 0.3641748 0.1912367), wk = 0.0026738 k( 294) = ( 0.2051282 0.3552925 0.1912367), wk = 0.0026738 k( 295) = ( 0.2000000 0.3464102 0.1912367), wk = 0.0026738 k( 296) = ( 0.1948718 0.3375278 0.1912367), wk = 0.0026738 k( 297) = ( 0.1897436 0.3286455 0.1912367), wk = 0.0026738 k( 298) = ( 0.1846154 0.3197632 0.1912367), wk = 0.0026738 k( 299) = ( 0.1794872 0.3108809 0.1912367), wk = 0.0026738 k( 300) = ( 0.1743590 0.3019986 0.1912367), wk = 0.0026738 k( 301) = ( 0.1692308 0.2931163 0.1912367), wk = 0.0026738 k( 302) = ( 0.1641026 0.2842340 0.1912367), wk = 0.0026738 k( 303) = ( 0.1589744 0.2753517 0.1912367), wk = 0.0026738 k( 304) = ( 0.1538461 0.2664693 0.1912367), wk = 0.0026738 k( 305) = ( 0.1487179 0.2575870 0.1912367), wk = 0.0026738 k( 306) = ( 0.1435897 0.2487047 0.1912367), wk = 0.0026738 k( 307) = ( 0.1384615 0.2398224 0.1912367), wk = 0.0026738 k( 308) = ( 0.1333333 0.2309401 0.1912367), wk = 0.0026738 k( 309) = ( 0.1282051 0.2220578 0.1912367), wk = 0.0026738 k( 310) = ( 0.1230769 0.2131755 0.1912367), wk = 0.0026738 k( 311) = ( 0.1179487 0.2042932 0.1912367), wk = 0.0026738 k( 312) = ( 0.1128205 0.1954109 0.1912367), wk = 0.0026738 k( 313) = ( 0.1076923 0.1865286 0.1912367), wk = 0.0026738 k( 314) = ( 0.1025641 0.1776462 0.1912367), wk = 0.0026738 k( 315) = ( 0.0974359 0.1687639 0.1912367), wk = 0.0026738 k( 316) = ( 0.0923077 0.1598816 0.1912367), wk = 0.0026738 k( 317) = ( 0.0871795 0.1509993 0.1912367), wk = 0.0026738 k( 318) = ( 0.0820513 0.1421170 0.1912367), wk = 0.0026738 k( 319) = ( 0.0769231 0.1332347 0.1912367), wk = 0.0026738 k( 320) = ( 0.0717949 0.1243524 0.1912367), wk = 0.0026738 k( 321) = ( 0.0666667 0.1154701 0.1912367), wk = 0.0026738 k( 322) = ( 0.0615385 0.1065877 0.1912367), wk = 0.0026738 k( 323) = ( 0.0564103 0.0977054 0.1912367), wk = 0.0026738 k( 324) = ( 0.0512821 0.0888231 0.1912367), wk = 0.0026738 k( 325) = ( 0.0461539 0.0799408 0.1912367), wk = 0.0026738 k( 326) = ( 0.0410256 0.0710585 0.1912367), wk = 0.0026738 k( 327) = ( 0.0358974 0.0621762 0.1912367), wk = 0.0026738 k( 328) = ( 0.0307692 0.0532939 0.1912367), wk = 0.0026738 k( 329) = ( 0.0256410 0.0444116 0.1912367), wk = 0.0026738 k( 330) = ( 0.0205128 0.0355292 0.1912367), wk = 0.0026738 k( 331) = ( 0.0153846 0.0266469 0.1912367), wk = 0.0026738 k( 332) = ( 0.0102564 0.0177646 0.1912367), wk = 0.0026738 k( 333) = ( 0.0051282 0.0088823 0.1912367), wk = 0.0026738 k( 334) = ( 0.0000000 0.0000000 0.1912367), wk = 0.0026738 k( 335) = ( 0.5000000 0.2886751 0.1912367), wk = 0.0026738 k( 336) = ( 0.5000000 0.2886751 0.1811716), wk = 0.0026738 k( 337) = ( 0.5000000 0.2886751 0.1711065), wk = 0.0026738 k( 338) = ( 0.5000000 0.2886751 0.1610414), wk = 0.0026738 k( 339) = ( 0.5000000 0.2886751 0.1509763), wk = 0.0026738 k( 340) = ( 0.5000000 0.2886751 0.1409112), wk = 0.0026738 k( 341) = ( 0.5000000 0.2886751 0.1308462), wk = 0.0026738 k( 342) = ( 0.5000000 0.2886751 0.1207811), wk = 0.0026738 k( 343) = ( 0.5000000 0.2886751 0.1107160), wk = 0.0026738 k( 344) = ( 0.5000000 0.2886751 0.1006509), wk = 0.0026738 k( 345) = ( 0.5000000 0.2886751 0.0905858), wk = 0.0026738 k( 346) = ( 0.5000000 0.2886751 0.0805207), wk = 0.0026738 k( 347) = ( 0.5000000 0.2886751 0.0704556), wk = 0.0026738 k( 348) = ( 0.5000000 0.2886751 0.0603905), wk = 0.0026738 k( 349) = ( 0.5000000 0.2886751 0.0503254), wk = 0.0026738 k( 350) = ( 0.5000000 0.2886751 0.0402604), wk = 0.0026738 k( 351) = ( 0.5000000 0.2886751 0.0301953), wk = 0.0026738 k( 352) = ( 0.5000000 0.2886751 0.0201302), wk = 0.0026738 k( 353) = ( 0.5000000 0.2886751 0.0100651), wk = 0.0026738 k( 354) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 355) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 356) = ( 0.3333333 0.5773503 0.0100651), wk = 0.0026738 k( 357) = ( 0.3333333 0.5773503 0.0201302), wk = 0.0026738 k( 358) = ( 0.3333333 0.5773503 0.0301953), wk = 0.0026738 k( 359) = ( 0.3333333 0.5773503 0.0402604), wk = 0.0026738 k( 360) = ( 0.3333333 0.5773503 0.0503254), wk = 0.0026738 k( 361) = ( 0.3333333 0.5773503 0.0603905), wk = 0.0026738 k( 362) = ( 0.3333333 0.5773503 0.0704556), wk = 0.0026738 k( 363) = ( 0.3333333 0.5773503 0.0805207), wk = 0.0026738 k( 364) = ( 0.3333333 0.5773503 0.0905858), wk = 0.0026738 k( 365) = ( 0.3333333 0.5773503 0.1006509), wk = 0.0026738 k( 366) = ( 0.3333333 0.5773503 0.1107160), wk = 0.0026738 k( 367) = ( 0.3333333 0.5773503 0.1207811), wk = 0.0026738 k( 368) = ( 0.3333333 0.5773503 0.1308462), wk = 0.0026738 k( 369) = ( 0.3333333 0.5773503 0.1409112), wk = 0.0026738 k( 370) = ( 0.3333333 0.5773503 0.1509763), wk = 0.0026738 k( 371) = ( 0.3333333 0.5773503 0.1610414), wk = 0.0026738 k( 372) = ( 0.3333333 0.5773503 0.1711065), wk = 0.0026738 k( 373) = ( 0.3333333 0.5773503 0.1811716), wk = 0.0026738 k( 374) = ( 0.3333333 0.5773503 0.1912367), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0026738 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0026738 k( 4) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0446429 0.0000000 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0535714 0.0000000 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0803571 0.0000000 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0026738 k( 13) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1160714 -0.0000000 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0026738 k( 17) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1517857 0.0000000 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0026738 k( 20) = ( 0.1696429 0.0000000 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0026738 k( 23) = ( 0.1964286 0.0000000 -0.0000000), wk = 0.0026738 k( 24) = ( 0.2053571 0.0000000 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2232143 0.0000000 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2321429 -0.0000000 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2410714 0.0000000 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2589286 0.0000000 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0026738 k( 32) = ( 0.2767857 0.0000000 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0026738 k( 35) = ( 0.3035714 0.0000000 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0026738 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3482143 0.0000000 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3660714 0.0000000 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0026738 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0026738 k( 45) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0026738 k( 46) = ( 0.4017857 0.0000000 -0.0000000), wk = 0.0026738 k( 47) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0026738 k( 49) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0026738 k( 50) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0026738 k( 51) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4553571 0.0000000 -0.0000000), wk = 0.0026738 k( 53) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0026738 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0026738 k( 55) = ( 0.4821429 0.0000000 -0.0000000), wk = 0.0026738 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0026738 k( 57) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026738 k( 58) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026738 k( 59) = ( 0.4949495 0.0101010 -0.0000000), wk = 0.0026738 k( 60) = ( 0.4898990 0.0202020 -0.0000000), wk = 0.0026738 k( 61) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0026738 k( 62) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0026738 k( 63) = ( 0.4747475 0.0505050 -0.0000000), wk = 0.0026738 k( 64) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0026738 k( 65) = ( 0.4646465 0.0707071 0.0000000), wk = 0.0026738 k( 66) = ( 0.4595960 0.0808081 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0026738 k( 68) = ( 0.4494950 0.1010101 0.0000000), wk = 0.0026738 k( 69) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0026738 k( 70) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0026738 k( 71) = ( 0.4343434 0.1313131 0.0000000), wk = 0.0026738 k( 72) = ( 0.4292929 0.1414141 0.0000000), wk = 0.0026738 k( 73) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0026738 k( 74) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0026738 k( 75) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0026738 k( 76) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0026738 k( 77) = ( 0.4040404 0.1919192 0.0000000), wk = 0.0026738 k( 78) = ( 0.3989899 0.2020202 0.0000000), wk = 0.0026738 k( 79) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0026738 k( 80) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0026738 k( 81) = ( 0.3838384 0.2323232 0.0000000), wk = 0.0026738 k( 82) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0026738 k( 83) = ( 0.3737374 0.2525252 -0.0000000), wk = 0.0026738 k( 84) = ( 0.3686869 0.2626263 -0.0000000), wk = 0.0026738 k( 85) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0026738 k( 86) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0026738 k( 87) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0026738 k( 88) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0026738 k( 89) = ( 0.3434343 0.3131313 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3383838 0.3232323 -0.0000000), wk = 0.0026738 k( 91) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 93) = ( 0.3282051 0.3282051 0.0000000), wk = 0.0026738 k( 94) = ( 0.3230769 0.3230769 -0.0000000), wk = 0.0026738 k( 95) = ( 0.3179487 0.3179487 0.0000000), wk = 0.0026738 k( 96) = ( 0.3128205 0.3128205 0.0000000), wk = 0.0026738 k( 97) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0026738 k( 98) = ( 0.3025641 0.3025641 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2974359 0.2974359 0.0000000), wk = 0.0026738 k( 100) = ( 0.2923077 0.2923077 0.0000000), wk = 0.0026738 k( 101) = ( 0.2871795 0.2871795 0.0000000), wk = 0.0026738 k( 102) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0026738 k( 103) = ( 0.2769231 0.2769231 0.0000000), wk = 0.0026738 k( 104) = ( 0.2717949 0.2717949 0.0000000), wk = 0.0026738 k( 105) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0026738 k( 106) = ( 0.2615385 0.2615385 0.0000000), wk = 0.0026738 k( 107) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0026738 k( 108) = ( 0.2512820 0.2512820 -0.0000000), wk = 0.0026738 k( 109) = ( 0.2461539 0.2461539 -0.0000000), wk = 0.0026738 k( 110) = ( 0.2410256 0.2410256 -0.0000000), wk = 0.0026738 k( 111) = ( 0.2358974 0.2358974 -0.0000000), wk = 0.0026738 k( 112) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0026738 k( 113) = ( 0.2256410 0.2256410 0.0000000), wk = 0.0026738 k( 114) = ( 0.2205128 0.2205128 -0.0000000), wk = 0.0026738 k( 115) = ( 0.2153846 0.2153846 0.0000000), wk = 0.0026738 k( 116) = ( 0.2102564 0.2102564 -0.0000000), wk = 0.0026738 k( 117) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0026738 k( 118) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026738 k( 119) = ( 0.1948718 0.1948718 0.0000000), wk = 0.0026738 k( 120) = ( 0.1897436 0.1897436 -0.0000000), wk = 0.0026738 k( 121) = ( 0.1846154 0.1846154 -0.0000000), wk = 0.0026738 k( 122) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0026738 k( 123) = ( 0.1743590 0.1743590 -0.0000000), wk = 0.0026738 k( 124) = ( 0.1692308 0.1692308 -0.0000000), wk = 0.0026738 k( 125) = ( 0.1641026 0.1641026 -0.0000000), wk = 0.0026738 k( 126) = ( 0.1589744 0.1589744 0.0000000), wk = 0.0026738 k( 127) = ( 0.1538461 0.1538462 -0.0000000), wk = 0.0026738 k( 128) = ( 0.1487179 0.1487179 0.0000000), wk = 0.0026738 k( 129) = ( 0.1435897 0.1435897 -0.0000000), wk = 0.0026738 k( 130) = ( 0.1384615 0.1384615 0.0000000), wk = 0.0026738 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026738 k( 132) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0026738 k( 133) = ( 0.1230769 0.1230769 -0.0000000), wk = 0.0026738 k( 134) = ( 0.1179487 0.1179487 -0.0000000), wk = 0.0026738 k( 135) = ( 0.1128205 0.1128205 -0.0000000), wk = 0.0026738 k( 136) = ( 0.1076923 0.1076923 0.0000000), wk = 0.0026738 k( 137) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0026738 k( 138) = ( 0.0974359 0.0974359 0.0000000), wk = 0.0026738 k( 139) = ( 0.0923077 0.0923077 -0.0000000), wk = 0.0026738 k( 140) = ( 0.0871795 0.0871795 -0.0000000), wk = 0.0026738 k( 141) = ( 0.0820513 0.0820513 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0026738 k( 143) = ( 0.0717949 0.0717949 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026738 k( 145) = ( 0.0615385 0.0615385 -0.0000000), wk = 0.0026738 k( 146) = ( 0.0564103 0.0564103 0.0000000), wk = 0.0026738 k( 147) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0026738 k( 148) = ( 0.0461539 0.0461539 -0.0000000), wk = 0.0026738 k( 149) = ( 0.0410256 0.0410256 -0.0000000), wk = 0.0026738 k( 150) = ( 0.0358974 0.0358974 -0.0000000), wk = 0.0026738 k( 151) = ( 0.0307692 0.0307692 -0.0000000), wk = 0.0026738 k( 152) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0026738 k( 153) = ( 0.0205128 0.0205128 -0.0000000), wk = 0.0026738 k( 154) = ( 0.0153846 0.0153846 -0.0000000), wk = 0.0026738 k( 155) = ( 0.0102564 0.0102564 -0.0000000), wk = 0.0026738 k( 156) = ( 0.0051282 0.0051282 -0.0000000), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 179) = ( 0.0089286 0.0000000 0.5000000), wk = 0.0026738 k( 180) = ( 0.0178571 0.0000000 0.5000000), wk = 0.0026738 k( 181) = ( 0.0267857 0.0000000 0.5000000), wk = 0.0026738 k( 182) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0026738 k( 183) = ( 0.0446429 0.0000000 0.5000000), wk = 0.0026738 k( 184) = ( 0.0535714 0.0000000 0.5000000), wk = 0.0026738 k( 185) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0026738 k( 186) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0026738 k( 187) = ( 0.0803571 0.0000000 0.5000000), wk = 0.0026738 k( 188) = ( 0.0892857 -0.0000000 0.5000000), wk = 0.0026738 k( 189) = ( 0.0982143 0.0000000 0.5000000), wk = 0.0026738 k( 190) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0026738 k( 191) = ( 0.1160714 -0.0000000 0.5000000), wk = 0.0026738 k( 192) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0026738 k( 193) = ( 0.1339286 0.0000000 0.5000000), wk = 0.0026738 k( 194) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0026738 k( 195) = ( 0.1517857 0.0000000 0.5000000), wk = 0.0026738 k( 196) = ( 0.1607143 0.0000000 0.5000000), wk = 0.0026738 k( 197) = ( 0.1696429 0.0000000 0.5000000), wk = 0.0026738 k( 198) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0026738 k( 199) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0026738 k( 200) = ( 0.1964286 0.0000000 0.5000000), wk = 0.0026738 k( 201) = ( 0.2053571 0.0000000 0.5000000), wk = 0.0026738 k( 202) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0026738 k( 203) = ( 0.2232143 0.0000000 0.5000000), wk = 0.0026738 k( 204) = ( 0.2321429 -0.0000000 0.5000000), wk = 0.0026738 k( 205) = ( 0.2410714 0.0000000 0.5000000), wk = 0.0026738 k( 206) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026738 k( 207) = ( 0.2589286 0.0000000 0.5000000), wk = 0.0026738 k( 208) = ( 0.2678571 0.0000000 0.5000000), wk = 0.0026738 k( 209) = ( 0.2767857 0.0000000 0.5000000), wk = 0.0026738 k( 210) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0026738 k( 211) = ( 0.2946429 0.0000000 0.5000000), wk = 0.0026738 k( 212) = ( 0.3035714 0.0000000 0.5000000), wk = 0.0026738 k( 213) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0026738 k( 214) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0026738 k( 215) = ( 0.3303571 0.0000000 0.5000000), wk = 0.0026738 k( 216) = ( 0.3392857 0.0000000 0.5000000), wk = 0.0026738 k( 217) = ( 0.3482143 0.0000000 0.5000000), wk = 0.0026738 k( 218) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0026738 k( 219) = ( 0.3660714 0.0000000 0.5000000), wk = 0.0026738 k( 220) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026738 k( 221) = ( 0.3839286 0.0000000 0.5000000), wk = 0.0026738 k( 222) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0026738 k( 223) = ( 0.4017857 0.0000000 0.5000000), wk = 0.0026738 k( 224) = ( 0.4107143 0.0000000 0.5000000), wk = 0.0026738 k( 225) = ( 0.4196429 0.0000000 0.5000000), wk = 0.0026738 k( 226) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0026738 k( 227) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0026738 k( 228) = ( 0.4464286 0.0000000 0.5000000), wk = 0.0026738 k( 229) = ( 0.4553571 0.0000000 0.5000000), wk = 0.0026738 k( 230) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0026738 k( 231) = ( 0.4732143 0.0000000 0.5000000), wk = 0.0026738 k( 232) = ( 0.4821429 0.0000000 0.5000000), wk = 0.0026738 k( 233) = ( 0.4910714 0.0000000 0.5000000), wk = 0.0026738 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 236) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0026738 k( 237) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0026738 k( 238) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0026738 k( 239) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0026738 k( 240) = ( 0.4747475 0.0505050 0.5000000), wk = 0.0026738 k( 241) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0026738 k( 242) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0026738 k( 243) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0026738 k( 244) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0026738 k( 245) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0026738 k( 246) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026738 k( 247) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0026738 k( 248) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0026738 k( 249) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0026738 k( 250) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0026738 k( 251) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0026738 k( 252) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0026738 k( 253) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0026738 k( 254) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0026738 k( 255) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0026738 k( 256) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0026738 k( 257) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026738 k( 258) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0026738 k( 259) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0026738 k( 260) = ( 0.3737374 0.2525252 0.5000000), wk = 0.0026738 k( 261) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0026738 k( 262) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0026738 k( 263) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0026738 k( 264) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0026738 k( 265) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0026738 k( 266) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0026738 k( 267) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0026738 k( 268) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 270) = ( 0.3282051 0.3282051 0.5000000), wk = 0.0026738 k( 271) = ( 0.3230769 0.3230769 0.5000000), wk = 0.0026738 k( 272) = ( 0.3179487 0.3179487 0.5000000), wk = 0.0026738 k( 273) = ( 0.3128205 0.3128205 0.5000000), wk = 0.0026738 k( 274) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0026738 k( 275) = ( 0.3025641 0.3025641 0.5000000), wk = 0.0026738 k( 276) = ( 0.2974359 0.2974359 0.5000000), wk = 0.0026738 k( 277) = ( 0.2923077 0.2923077 0.5000000), wk = 0.0026738 k( 278) = ( 0.2871795 0.2871795 0.5000000), wk = 0.0026738 k( 279) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0026738 k( 280) = ( 0.2769231 0.2769231 0.5000000), wk = 0.0026738 k( 281) = ( 0.2717949 0.2717949 0.5000000), wk = 0.0026738 k( 282) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026738 k( 283) = ( 0.2615385 0.2615385 0.5000000), wk = 0.0026738 k( 284) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0026738 k( 285) = ( 0.2512820 0.2512820 0.5000000), wk = 0.0026738 k( 286) = ( 0.2461539 0.2461539 0.5000000), wk = 0.0026738 k( 287) = ( 0.2410256 0.2410256 0.5000000), wk = 0.0026738 k( 288) = ( 0.2358974 0.2358974 0.5000000), wk = 0.0026738 k( 289) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0026738 k( 290) = ( 0.2256410 0.2256410 0.5000000), wk = 0.0026738 k( 291) = ( 0.2205128 0.2205128 0.5000000), wk = 0.0026738 k( 292) = ( 0.2153846 0.2153846 0.5000000), wk = 0.0026738 k( 293) = ( 0.2102564 0.2102564 0.5000000), wk = 0.0026738 k( 294) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0026738 k( 295) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026738 k( 296) = ( 0.1948718 0.1948718 0.5000000), wk = 0.0026738 k( 297) = ( 0.1897436 0.1897436 0.5000000), wk = 0.0026738 k( 298) = ( 0.1846154 0.1846154 0.5000000), wk = 0.0026738 k( 299) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0026738 k( 300) = ( 0.1743590 0.1743590 0.5000000), wk = 0.0026738 k( 301) = ( 0.1692308 0.1692308 0.5000000), wk = 0.0026738 k( 302) = ( 0.1641026 0.1641026 0.5000000), wk = 0.0026738 k( 303) = ( 0.1589744 0.1589744 0.5000000), wk = 0.0026738 k( 304) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0026738 k( 305) = ( 0.1487179 0.1487179 0.5000000), wk = 0.0026738 k( 306) = ( 0.1435897 0.1435897 0.5000000), wk = 0.0026738 k( 307) = ( 0.1384615 0.1384615 0.5000000), wk = 0.0026738 k( 308) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026738 k( 309) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0026738 k( 310) = ( 0.1230769 0.1230769 0.5000000), wk = 0.0026738 k( 311) = ( 0.1179487 0.1179487 0.5000000), wk = 0.0026738 k( 312) = ( 0.1128205 0.1128205 0.5000000), wk = 0.0026738 k( 313) = ( 0.1076923 0.1076923 0.5000000), wk = 0.0026738 k( 314) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0026738 k( 315) = ( 0.0974359 0.0974359 0.5000000), wk = 0.0026738 k( 316) = ( 0.0923077 0.0923077 0.5000000), wk = 0.0026738 k( 317) = ( 0.0871795 0.0871795 0.5000000), wk = 0.0026738 k( 318) = ( 0.0820513 0.0820513 0.5000000), wk = 0.0026738 k( 319) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0026738 k( 320) = ( 0.0717949 0.0717949 0.5000000), wk = 0.0026738 k( 321) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026738 k( 322) = ( 0.0615385 0.0615385 0.5000000), wk = 0.0026738 k( 323) = ( 0.0564103 0.0564103 0.5000000), wk = 0.0026738 k( 324) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0026738 k( 325) = ( 0.0461539 0.0461539 0.5000000), wk = 0.0026738 k( 326) = ( 0.0410256 0.0410256 0.5000000), wk = 0.0026738 k( 327) = ( 0.0358974 0.0358974 0.5000000), wk = 0.0026738 k( 328) = ( 0.0307692 0.0307692 0.5000000), wk = 0.0026738 k( 329) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0026738 k( 330) = ( 0.0205128 0.0205128 0.5000000), wk = 0.0026738 k( 331) = ( 0.0153846 0.0153846 0.5000000), wk = 0.0026738 k( 332) = ( 0.0102564 0.0102564 0.5000000), wk = 0.0026738 k( 333) = ( 0.0051282 0.0051282 0.5000000), wk = 0.0026738 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 335) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 336) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0026738 k( 337) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0026738 k( 338) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0026738 k( 339) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0026738 k( 340) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0026738 k( 341) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0026738 k( 342) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0026738 k( 343) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0026738 k( 344) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0026738 k( 345) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0026738 k( 346) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0026738 k( 347) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0026738 k( 348) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0026738 k( 349) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0026738 k( 350) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0026738 k( 351) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0026738 k( 352) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0026738 k( 353) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0026738 k( 354) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026738 k( 355) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 356) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0026738 k( 357) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0026738 k( 358) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0026738 k( 359) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0026738 k( 360) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0026738 k( 361) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0026738 k( 362) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0026738 k( 363) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0026738 k( 364) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0026738 k( 365) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0026738 k( 366) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0026738 k( 367) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0026738 k( 368) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0026738 k( 369) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0026738 k( 370) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0026738 k( 371) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0026738 k( 372) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0026738 k( 373) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0026738 k( 374) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 Dense grid: 53283 G-vectors FFT dimensions: ( 36, 36, 96) Smooth grid: 24005 G-vectors FFT dimensions: ( 27, 27, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 172, 50) NL pseudopotentials 0.20 Mb ( 86, 150) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1473) G-vector shells 0.01 Mb ( 680) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 172, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.23 Mb ( 150, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Nb2CS2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.3 secs Computing kpt #: 16 total cpu time spent up to now is 7.7 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.3 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.3 secs Computing kpt #: 25 total cpu time spent up to now is 10.7 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.7 secs Computing kpt #: 29 total cpu time spent up to now is 12.1 secs Computing kpt #: 30 total cpu time spent up to now is 12.4 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.1 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.5 secs Computing kpt #: 37 total cpu time spent up to now is 14.8 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.5 secs Computing kpt #: 40 total cpu time spent up to now is 15.8 secs Computing kpt #: 41 total cpu time spent up to now is 16.1 secs Computing kpt #: 42 total cpu time spent up to now is 16.5 secs Computing kpt #: 43 total cpu time spent up to now is 16.8 secs Computing kpt #: 44 total cpu time spent up to now is 17.2 secs Computing kpt #: 45 total cpu time spent up to now is 17.5 secs Computing kpt #: 46 total cpu time spent up to now is 17.8 secs Computing kpt #: 47 total cpu time spent up to now is 18.2 secs Computing kpt #: 48 total cpu time spent up to now is 18.5 secs Computing kpt #: 49 total cpu time spent up to now is 18.8 secs Computing kpt #: 50 total cpu time spent up to now is 19.2 secs Computing kpt #: 51 total cpu time spent up to now is 19.5 secs Computing kpt #: 52 total cpu time spent up to now is 19.9 secs Computing kpt #: 53 total cpu time spent up to now is 20.2 secs Computing kpt #: 54 total cpu time spent up to now is 20.5 secs Computing kpt #: 55 total cpu time spent up to now is 20.9 secs Computing kpt #: 56 total cpu time spent up to now is 21.2 secs Computing kpt #: 57 total cpu time spent up to now is 21.5 secs Computing kpt #: 58 total cpu time spent up to now is 21.9 secs Computing kpt #: 59 total cpu time spent up to now is 22.2 secs Computing kpt #: 60 total cpu time spent up to now is 22.6 secs Computing kpt #: 61 total cpu time spent up to now is 22.9 secs Computing kpt #: 62 total cpu time spent up to now is 23.3 secs Computing kpt #: 63 total cpu time spent up to now is 23.6 secs Computing kpt #: 64 total cpu time spent up to now is 24.0 secs Computing kpt #: 65 total cpu time spent up to now is 24.3 secs Computing kpt #: 66 total cpu time spent up to now is 24.7 secs Computing kpt #: 67 total cpu time spent up to now is 25.2 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.9 secs Computing kpt #: 70 total cpu time spent up to now is 26.2 secs Computing kpt #: 71 total cpu time spent up to now is 26.6 secs Computing kpt #: 72 total cpu time spent up to now is 26.9 secs Computing kpt #: 73 total cpu time spent up to now is 27.2 secs Computing kpt #: 74 total cpu time spent up to now is 27.6 secs Computing kpt #: 75 total cpu time spent up to now is 27.9 secs Computing kpt #: 76 total cpu time spent up to now is 28.2 secs Computing kpt #: 77 total cpu time spent up to now is 28.5 secs Computing kpt #: 78 total cpu time spent up to now is 28.8 secs Computing kpt #: 79 total cpu time spent up to now is 29.2 secs Computing kpt #: 80 total cpu time spent up to now is 29.5 secs Computing kpt #: 81 total cpu time spent up to now is 29.8 secs Computing kpt #: 82 total cpu time spent up to now is 30.1 secs Computing kpt #: 83 total cpu time spent up to now is 30.5 secs Computing kpt #: 84 total cpu time spent up to now is 30.8 secs Computing kpt #: 85 total cpu time spent up to now is 31.1 secs Computing kpt #: 86 total cpu time spent up to now is 31.4 secs Computing kpt #: 87 total cpu time spent up to now is 31.7 secs Computing kpt #: 88 total cpu time spent up to now is 32.0 secs Computing kpt #: 89 total cpu time spent up to now is 32.3 secs Computing kpt #: 90 total cpu time spent up to now is 32.7 secs Computing kpt #: 91 total cpu time spent up to now is 33.0 secs Computing kpt #: 92 total cpu time spent up to now is 33.2 secs Computing kpt #: 93 total cpu time spent up to now is 33.6 secs Computing kpt #: 94 total cpu time spent up to now is 33.9 secs Computing kpt #: 95 total cpu time spent up to now is 34.2 secs Computing kpt #: 96 total cpu time spent up to now is 34.5 secs Computing kpt #: 97 total cpu time spent up to now is 34.9 secs Computing kpt #: 98 total cpu time spent up to now is 35.2 secs Computing kpt #: 99 total cpu time spent up to now is 35.6 secs Computing kpt #: 100 total cpu time spent up to now is 35.9 secs Computing kpt #: 101 total cpu time spent up to now is 36.3 secs Computing kpt #: 102 total cpu time spent up to now is 36.7 secs Computing kpt #: 103 total cpu time spent up to now is 37.1 secs Computing kpt #: 104 total cpu time spent up to now is 37.5 secs Computing kpt #: 105 total cpu time spent up to now is 37.9 secs Computing kpt #: 106 total cpu time spent up to now is 38.3 secs Computing kpt #: 107 total cpu time spent up to now is 38.7 secs Computing kpt #: 108 total cpu time spent up to now is 39.1 secs Computing kpt #: 109 total cpu time spent up to now is 39.5 secs Computing kpt #: 110 total cpu time spent up to now is 39.9 secs Computing kpt #: 111 total cpu time spent up to now is 40.3 secs Computing kpt #: 112 total cpu time spent up to now is 40.7 secs Computing kpt #: 113 total cpu time spent up to now is 41.1 secs Computing kpt #: 114 total cpu time spent up to now is 41.5 secs Computing kpt #: 115 total cpu time spent up to now is 41.8 secs Computing kpt #: 116 total cpu time spent up to now is 42.2 secs Computing kpt #: 117 total cpu time spent up to now is 42.6 secs Computing kpt #: 118 total cpu time spent up to now is 42.9 secs Computing kpt #: 119 total cpu time spent up to now is 43.3 secs Computing kpt #: 120 total cpu time spent up to now is 43.6 secs Computing kpt #: 121 total cpu time spent up to now is 44.0 secs Computing kpt #: 122 total cpu time spent up to now is 44.3 secs Computing kpt #: 123 total cpu time spent up to now is 44.7 secs Computing kpt #: 124 total cpu time spent up to now is 45.0 secs Computing kpt #: 125 total cpu time spent up to now is 45.4 secs Computing kpt #: 126 total cpu time spent up to now is 45.8 secs Computing kpt #: 127 total cpu time spent up to now is 46.2 secs Computing kpt #: 128 total cpu time spent up to now is 46.6 secs Computing kpt #: 129 total cpu time spent up to now is 47.0 secs Computing kpt #: 130 total cpu time spent up to now is 47.4 secs Computing kpt #: 131 total cpu time spent up to now is 47.8 secs Computing kpt #: 132 total cpu time spent up to now is 48.2 secs Computing kpt #: 133 total cpu time spent up to now is 48.5 secs Computing kpt #: 134 total cpu time spent up to now is 48.9 secs Computing kpt #: 135 total cpu time spent up to now is 49.2 secs Computing kpt #: 136 total cpu time spent up to now is 49.5 secs Computing kpt #: 137 total cpu time spent up to now is 49.9 secs Computing kpt #: 138 total cpu time spent up to now is 50.2 secs Computing kpt #: 139 total cpu time spent up to now is 50.5 secs Computing kpt #: 140 total cpu time spent up to now is 50.9 secs Computing kpt #: 141 total cpu time spent up to now is 51.2 secs Computing kpt #: 142 total cpu time spent up to now is 51.5 secs Computing kpt #: 143 total cpu time spent up to now is 51.8 secs Computing kpt #: 144 total cpu time spent up to now is 52.1 secs Computing kpt #: 145 total cpu time spent up to now is 52.4 secs Computing kpt #: 146 total cpu time spent up to now is 52.7 secs Computing kpt #: 147 total cpu time spent up to now is 53.0 secs Computing kpt #: 148 total cpu time spent up to now is 53.3 secs Computing kpt #: 149 total cpu time spent up to now is 53.6 secs Computing kpt #: 150 total cpu time spent up to now is 53.9 secs Computing kpt #: 151 total cpu time spent up to now is 54.2 secs Computing kpt #: 152 total cpu time spent up to now is 54.5 secs Computing kpt #: 153 total cpu time spent up to now is 54.8 secs Computing kpt #: 154 total cpu time spent up to now is 55.1 secs Computing kpt #: 155 total cpu time spent up to now is 55.4 secs Computing kpt #: 156 total cpu time spent up to now is 55.7 secs Computing kpt #: 157 total cpu time spent up to now is 56.0 secs Computing kpt #: 158 total cpu time spent up to now is 56.3 secs Computing kpt #: 159 total cpu time spent up to now is 56.6 secs Computing kpt #: 160 total cpu time spent up to now is 56.9 secs Computing kpt #: 161 total cpu time spent up to now is 57.2 secs Computing kpt #: 162 total cpu time spent up to now is 57.5 secs Computing kpt #: 163 total cpu time spent up to now is 57.8 secs Computing kpt #: 164 total cpu time spent up to now is 58.1 secs Computing kpt #: 165 total cpu time spent up to now is 58.4 secs Computing kpt #: 166 total cpu time spent up to now is 58.7 secs Computing kpt #: 167 total cpu time spent up to now is 59.0 secs Computing kpt #: 168 total cpu time spent up to now is 59.3 secs Computing kpt #: 169 total cpu time spent up to now is 59.6 secs Computing kpt #: 170 total cpu time spent up to now is 59.9 secs Computing kpt #: 171 total cpu time spent up to now is 60.1 secs Computing kpt #: 172 total cpu time spent up to now is 60.4 secs Computing kpt #: 173 total cpu time spent up to now is 60.8 secs Computing kpt #: 174 total cpu time spent up to now is 61.1 secs Computing kpt #: 175 total cpu time spent up to now is 61.3 secs Computing kpt #: 176 total cpu time spent up to now is 61.6 secs Computing kpt #: 177 total cpu time spent up to now is 61.9 secs Computing kpt #: 178 total cpu time spent up to now is 62.2 secs Computing kpt #: 179 total cpu time spent up to now is 62.5 secs Computing kpt #: 180 total cpu time spent up to now is 62.8 secs Computing kpt #: 181 total cpu time spent up to now is 63.1 secs Computing kpt #: 182 total cpu time spent up to now is 63.4 secs Computing kpt #: 183 total cpu time spent up to now is 63.7 secs Computing kpt #: 184 total cpu time spent up to now is 63.9 secs Computing kpt #: 185 total cpu time spent up to now is 64.2 secs Computing kpt #: 186 total cpu time spent up to now is 64.5 secs Computing kpt #: 187 total cpu time spent up to now is 64.9 secs Computing kpt #: 188 total cpu time spent up to now is 65.2 secs Computing kpt #: 189 total cpu time spent up to now is 65.5 secs Computing kpt #: 190 total cpu time spent up to now is 65.8 secs Computing kpt #: 191 total cpu time spent up to now is 66.1 secs Computing kpt #: 192 total cpu time spent up to now is 66.4 secs Computing kpt #: 193 total cpu time spent up to now is 66.7 secs Computing kpt #: 194 total cpu time spent up to now is 67.0 secs Computing kpt #: 195 total cpu time spent up to now is 67.3 secs Computing kpt #: 196 total cpu time spent up to now is 67.7 secs Computing kpt #: 197 total cpu time spent up to now is 68.0 secs Computing kpt #: 198 total cpu time spent up to now is 68.3 secs Computing kpt #: 199 total cpu time spent up to now is 68.7 secs Computing kpt #: 200 total cpu time spent up to now is 69.1 secs Computing kpt #: 201 total cpu time spent up to now is 69.5 secs Computing kpt #: 202 total cpu time spent up to now is 69.9 secs Computing kpt #: 203 total cpu time spent up to now is 70.3 secs Computing kpt #: 204 total cpu time spent up to now is 70.7 secs Computing kpt #: 205 total cpu time spent up to now is 71.1 secs Computing kpt #: 206 total cpu time spent up to now is 71.5 secs Computing kpt #: 207 total cpu time spent up to now is 72.2 secs Computing kpt #: 208 total cpu time spent up to now is 72.6 secs Computing kpt #: 209 total cpu time spent up to now is 73.0 secs Computing kpt #: 210 total cpu time spent up to now is 73.4 secs Computing kpt #: 211 total cpu time spent up to now is 73.8 secs Computing kpt #: 212 total cpu time spent up to now is 74.1 secs Computing kpt #: 213 total cpu time spent up to now is 74.5 secs Computing kpt #: 214 total cpu time spent up to now is 74.8 secs Computing kpt #: 215 total cpu time spent up to now is 75.1 secs Computing kpt #: 216 total cpu time spent up to now is 75.5 secs Computing kpt #: 217 total cpu time spent up to now is 75.8 secs Computing kpt #: 218 total cpu time spent up to now is 76.1 secs Computing kpt #: 219 total cpu time spent up to now is 76.5 secs Computing kpt #: 220 total cpu time spent up to now is 76.8 secs Computing kpt #: 221 total cpu time spent up to now is 77.1 secs Computing kpt #: 222 total cpu time spent up to now is 77.5 secs Computing kpt #: 223 total cpu time spent up to now is 77.8 secs Computing kpt #: 224 total cpu time spent up to now is 78.1 secs Computing kpt #: 225 total cpu time spent up to now is 78.5 secs Computing kpt #: 226 total cpu time spent up to now is 78.8 secs Computing kpt #: 227 total cpu time spent up to now is 79.2 secs Computing kpt #: 228 total cpu time spent up to now is 79.5 secs Computing kpt #: 229 total cpu time spent up to now is 79.8 secs Computing kpt #: 230 total cpu time spent up to now is 80.2 secs Computing kpt #: 231 total cpu time spent up to now is 80.5 secs Computing kpt #: 232 total cpu time spent up to now is 80.8 secs Computing kpt #: 233 total cpu time spent up to now is 81.2 secs Computing kpt #: 234 total cpu time spent up to now is 81.5 secs Computing kpt #: 235 total cpu time spent up to now is 81.8 secs Computing kpt #: 236 total cpu time spent up to now is 82.2 secs Computing kpt #: 237 total cpu time spent up to now is 82.5 secs Computing kpt #: 238 total cpu time spent up to now is 82.9 secs Computing kpt #: 239 total cpu time spent up to now is 83.2 secs Computing kpt #: 240 total cpu time spent up to now is 83.6 secs Computing kpt #: 241 total cpu time spent up to now is 83.9 secs Computing kpt #: 242 total cpu time spent up to now is 84.3 secs Computing kpt #: 243 total cpu time spent up to now is 84.6 secs Computing kpt #: 244 total cpu time spent up to now is 85.0 secs Computing kpt #: 245 total cpu time spent up to now is 85.4 secs Computing kpt #: 246 total cpu time spent up to now is 85.8 secs Computing kpt #: 247 total cpu time spent up to now is 86.2 secs Computing kpt #: 248 total cpu time spent up to now is 86.6 secs Computing kpt #: 249 total cpu time spent up to now is 87.0 secs Computing kpt #: 250 total cpu time spent up to now is 87.4 secs Computing kpt #: 251 total cpu time spent up to now is 87.8 secs Computing kpt #: 252 total cpu time spent up to now is 88.2 secs Computing kpt #: 253 total cpu time spent up to now is 88.6 secs Computing kpt #: 254 total cpu time spent up to now is 89.0 secs Computing kpt #: 255 total cpu time spent up to now is 89.4 secs Computing kpt #: 256 total cpu time spent up to now is 89.8 secs Computing kpt #: 257 total cpu time spent up to now is 90.2 secs Computing kpt #: 258 total cpu time spent up to now is 90.6 secs Computing kpt #: 259 total cpu time spent up to now is 91.0 secs Computing kpt #: 260 total cpu time spent up to now is 91.5 secs Computing kpt #: 261 total cpu time spent up to now is 91.9 secs Computing kpt #: 262 total cpu time spent up to now is 92.3 secs Computing kpt #: 263 total cpu time spent up to now is 92.7 secs Computing kpt #: 264 total cpu time spent up to now is 93.1 secs Computing kpt #: 265 total cpu time spent up to now is 93.5 secs Computing kpt #: 266 total cpu time spent up to now is 93.9 secs Computing kpt #: 267 total cpu time spent up to now is 94.3 secs Computing kpt #: 268 total cpu time spent up to now is 94.7 secs Computing kpt #: 269 total cpu time spent up to now is 95.1 secs Computing kpt #: 270 total cpu time spent up to now is 95.5 secs Computing kpt #: 271 total cpu time spent up to now is 95.9 secs Computing kpt #: 272 total cpu time spent up to now is 96.3 secs Computing kpt #: 273 total cpu time spent up to now is 96.6 secs Computing kpt #: 274 total cpu time spent up to now is 97.0 secs Computing kpt #: 275 total cpu time spent up to now is 97.4 secs Computing kpt #: 276 total cpu time spent up to now is 97.7 secs Computing kpt #: 277 total cpu time spent up to now is 98.1 secs Computing kpt #: 278 total cpu time spent up to now is 98.5 secs Computing kpt #: 279 total cpu time spent up to now is 98.8 secs Computing kpt #: 280 total cpu time spent up to now is 99.2 secs Computing kpt #: 281 total cpu time spent up to now is 99.5 secs Computing kpt #: 282 total cpu time spent up to now is 99.9 secs Computing kpt #: 283 total cpu time spent up to now is 100.3 secs Computing kpt #: 284 total cpu time spent up to now is 100.6 secs Computing kpt #: 285 total cpu time spent up to now is 101.0 secs Computing kpt #: 286 total cpu time spent up to now is 101.3 secs Computing kpt #: 287 total cpu time spent up to now is 101.7 secs Computing kpt #: 288 total cpu time spent up to now is 102.1 secs Computing kpt #: 289 total cpu time spent up to now is 102.4 secs Computing kpt #: 290 total cpu time spent up to now is 102.7 secs Computing kpt #: 291 total cpu time spent up to now is 103.1 secs Computing kpt #: 292 total cpu time spent up to now is 103.4 secs Computing kpt #: 293 total cpu time spent up to now is 103.8 secs Computing kpt #: 294 total cpu time spent up to now is 104.2 secs Computing kpt #: 295 total cpu time spent up to now is 104.6 secs Computing kpt #: 296 total cpu time spent up to now is 105.0 secs Computing kpt #: 297 total cpu time spent up to now is 105.3 secs Computing kpt #: 298 total cpu time spent up to now is 105.6 secs Computing kpt #: 299 total cpu time spent up to now is 106.0 secs Computing kpt #: 300 total cpu time spent up to now is 106.3 secs Computing kpt #: 301 total cpu time spent up to now is 106.6 secs Computing kpt #: 302 total cpu time spent up to now is 107.1 secs Computing kpt #: 303 total cpu time spent up to now is 107.4 secs Computing kpt #: 304 total cpu time spent up to now is 107.7 secs Computing kpt #: 305 total cpu time spent up to now is 108.1 secs Computing kpt #: 306 total cpu time spent up to now is 108.4 secs Computing kpt #: 307 total cpu time spent up to now is 108.7 secs Computing kpt #: 308 total cpu time spent up to now is 109.0 secs Computing kpt #: 309 total cpu time spent up to now is 109.4 secs Computing kpt #: 310 total cpu time spent up to now is 109.7 secs Computing kpt #: 311 total cpu time spent up to now is 110.0 secs Computing kpt #: 312 total cpu time spent up to now is 110.4 secs Computing kpt #: 313 total cpu time spent up to now is 110.7 secs Computing kpt #: 314 total cpu time spent up to now is 111.1 secs Computing kpt #: 315 total cpu time spent up to now is 111.4 secs Computing kpt #: 316 total cpu time spent up to now is 111.7 secs Computing kpt #: 317 total cpu time spent up to now is 112.1 secs Computing kpt #: 318 total cpu time spent up to now is 112.4 secs Computing kpt #: 319 total cpu time spent up to now is 112.7 secs Computing kpt #: 320 total cpu time spent up to now is 113.1 secs Computing kpt #: 321 total cpu time spent up to now is 113.4 secs Computing kpt #: 322 total cpu time spent up to now is 113.7 secs Computing kpt #: 323 total cpu time spent up to now is 114.0 secs Computing kpt #: 324 total cpu time spent up to now is 114.3 secs Computing kpt #: 325 total cpu time spent up to now is 114.6 secs Computing kpt #: 326 total cpu time spent up to now is 114.9 secs Computing kpt #: 327 total cpu time spent up to now is 115.3 secs Computing kpt #: 328 total cpu time spent up to now is 115.6 secs Computing kpt #: 329 total cpu time spent up to now is 115.9 secs Computing kpt #: 330 total cpu time spent up to now is 116.2 secs Computing kpt #: 331 total cpu time spent up to now is 116.5 secs Computing kpt #: 332 total cpu time spent up to now is 116.7 secs Computing kpt #: 333 total cpu time spent up to now is 117.0 secs Computing kpt #: 334 total cpu time spent up to now is 117.3 secs Computing kpt #: 335 total cpu time spent up to now is 117.7 secs Computing kpt #: 336 total cpu time spent up to now is 118.0 secs Computing kpt #: 337 total cpu time spent up to now is 118.3 secs Computing kpt #: 338 total cpu time spent up to now is 118.6 secs Computing kpt #: 339 total cpu time spent up to now is 119.0 secs Computing kpt #: 340 total cpu time spent up to now is 119.3 secs Computing kpt #: 341 total cpu time spent up to now is 119.7 secs Computing kpt #: 342 total cpu time spent up to now is 120.0 secs Computing kpt #: 343 total cpu time spent up to now is 120.3 secs Computing kpt #: 344 total cpu time spent up to now is 120.7 secs Computing kpt #: 345 total cpu time spent up to now is 121.0 secs Computing kpt #: 346 total cpu time spent up to now is 121.4 secs Computing kpt #: 347 total cpu time spent up to now is 121.7 secs Computing kpt #: 348 total cpu time spent up to now is 122.0 secs Computing kpt #: 349 total cpu time spent up to now is 122.4 secs Computing kpt #: 350 total cpu time spent up to now is 122.7 secs Computing kpt #: 351 total cpu time spent up to now is 123.1 secs Computing kpt #: 352 total cpu time spent up to now is 123.4 secs Computing kpt #: 353 total cpu time spent up to now is 123.8 secs Computing kpt #: 354 total cpu time spent up to now is 124.1 secs Computing kpt #: 355 total cpu time spent up to now is 124.4 secs Computing kpt #: 356 total cpu time spent up to now is 124.7 secs Computing kpt #: 357 total cpu time spent up to now is 125.0 secs Computing kpt #: 358 total cpu time spent up to now is 125.3 secs Computing kpt #: 359 total cpu time spent up to now is 125.6 secs Computing kpt #: 360 total cpu time spent up to now is 125.9 secs Computing kpt #: 361 total cpu time spent up to now is 126.2 secs Computing kpt #: 362 total cpu time spent up to now is 126.5 secs Computing kpt #: 363 total cpu time spent up to now is 126.9 secs Computing kpt #: 364 total cpu time spent up to now is 127.2 secs Computing kpt #: 365 total cpu time spent up to now is 127.5 secs Computing kpt #: 366 total cpu time spent up to now is 127.9 secs Computing kpt #: 367 total cpu time spent up to now is 128.2 secs Computing kpt #: 368 total cpu time spent up to now is 128.6 secs Computing kpt #: 369 total cpu time spent up to now is 129.0 secs Computing kpt #: 370 total cpu time spent up to now is 129.4 secs Computing kpt #: 371 total cpu time spent up to now is 129.8 secs Computing kpt #: 372 total cpu time spent up to now is 130.2 secs Computing kpt #: 373 total cpu time spent up to now is 130.6 secs Computing kpt #: 374 total cpu time spent up to now is 131.0 secs ethr = 2.38E-08, avg # of iterations = 18.2 total cpu time spent up to now is 131.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2999 PWs) bands (ev): -42.9707 -42.9707 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5343 -18.5343 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4635 -1.4635 -0.6946 -0.6946 1.2576 1.2576 6.3712 6.3712 8.0353 8.0353 8.0591 8.0591 8.1263 8.1263 10.4895 10.4895 10.5061 10.5061 11.7442 11.7442 11.8188 11.8188 11.8475 11.8475 12.1570 12.1570 12.5506 12.5506 12.6283 12.6283 13.9475 13.9475 13.9516 13.9516 k = 0.0089 0.0052-0.0000 ( 2987 PWs) bands (ev): -42.9705 -42.9705 -42.8927 -42.8927 -20.5058 -20.5058 -20.2979 -20.2979 -18.5343 -18.5343 -18.2271 -18.2271 -18.1765 -18.1765 -18.1518 -18.1518 -1.4624 -1.4624 -0.6938 -0.6938 1.2577 1.2577 6.3729 6.3729 8.0077 8.0077 8.0504 8.0504 8.1638 8.1638 10.4857 10.4857 10.5036 10.5036 11.7429 11.7429 11.8131 11.8131 11.8411 11.8411 12.1535 12.1535 12.5570 12.5570 12.6337 12.6337 13.9480 13.9480 13.9524 13.9524 k = 0.0179 0.0103-0.0000 ( 2991 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5059 -20.5059 -20.2983 -20.2983 -18.5343 -18.5343 -18.2282 -18.2282 -18.1763 -18.1763 -18.1525 -18.1525 -1.4588 -1.4588 -0.6916 -0.6916 1.2582 1.2582 6.3779 6.3779 7.9500 7.9500 8.0509 8.0509 8.2246 8.2246 10.4692 10.4692 10.5012 10.5012 11.7365 11.7365 11.7964 11.7964 11.8242 11.8242 12.1439 12.1439 12.5750 12.5750 12.6488 12.6488 13.9484 13.9484 13.9562 13.9562 k = 0.0268 0.0155-0.0000 ( 2999 PWs) bands (ev): -42.9702 -42.9702 -42.8926 -42.8926 -20.5062 -20.5062 -20.2991 -20.2991 -18.5344 -18.5344 -18.2301 -18.2301 -18.1760 -18.1760 -18.1536 -18.1536 -1.4530 -1.4530 -0.6879 -0.6879 1.2590 1.2590 6.3862 6.3862 7.8886 7.8886 8.0543 8.0543 8.2886 8.2886 10.4385 10.4385 10.5014 10.5014 11.7164 11.7164 11.7701 11.7701 11.8060 11.8060 12.1302 12.1302 12.6018 12.6018 12.6719 12.6719 13.9482 13.9482 13.9638 13.9638 k = 0.0357 0.0206-0.0000 ( 2997 PWs) bands (ev): -42.9699 -42.9699 -42.8925 -42.8925 -20.5065 -20.5065 -20.3002 -20.3002 -18.5345 -18.5345 -18.2327 -18.2327 -18.1758 -18.1758 -18.1552 -18.1552 -1.4448 -1.4448 -0.6827 -0.6827 1.2601 1.2601 6.3978 6.3978 7.8271 7.8271 8.0593 8.0593 8.3532 8.3532 10.3961 10.3961 10.5027 10.5027 11.6751 11.6751 11.7347 11.7347 11.7965 11.7965 12.1143 12.1143 12.6343 12.6343 12.7007 12.7007 13.9480 13.9480 13.9750 13.9750 k = 0.0446 0.0258-0.0000 ( 2997 PWs) bands (ev): -42.9694 -42.9694 -42.8923 -42.8923 -20.5069 -20.5069 -20.3015 -20.3015 -18.5347 -18.5347 -18.2360 -18.2360 -18.1756 -18.1756 -18.1571 -18.1571 -1.4344 -1.4344 -0.6760 -0.6760 1.2615 1.2615 6.4126 6.4126 7.7666 7.7666 8.0659 8.0659 8.4176 8.4176 10.3438 10.3438 10.5046 10.5046 11.6153 11.6153 11.6924 11.6924 11.7931 11.7931 12.0969 12.0969 12.6697 12.6697 12.7331 12.7331 13.9483 13.9483 13.9903 13.9903 k = 0.0536 0.0309-0.0000 ( 2997 PWs) bands (ev): -42.9689 -42.9689 -42.8920 -42.8920 -20.5075 -20.5075 -20.3032 -20.3032 -18.5349 -18.5349 -18.2397 -18.2397 -18.1758 -18.1758 -18.1592 -18.1592 -1.4216 -1.4216 -0.6679 -0.6679 1.2632 1.2632 6.4306 6.4306 7.7074 7.7074 8.0738 8.0738 8.4812 8.4812 10.2832 10.2832 10.5067 10.5067 11.5425 11.5425 11.6460 11.6460 11.7906 11.7906 12.0781 12.0781 12.7059 12.7059 12.7673 12.7673 13.9493 13.9493 14.0099 14.0099 k = 0.0625 0.0361-0.0000 ( 2993 PWs) bands (ev): -42.9682 -42.9682 -42.8917 -42.8917 -20.5081 -20.5081 -20.3051 -20.3051 -18.5351 -18.5351 -18.2440 -18.2440 -18.1765 -18.1765 -18.1613 -18.1613 -1.4066 -1.4066 -0.6584 -0.6584 1.2652 1.2652 6.4518 6.4518 7.6499 7.6499 8.0831 8.0831 8.5438 8.5438 10.2159 10.2159 10.5088 10.5088 11.4601 11.4601 11.5972 11.5972 11.7860 11.7860 12.0577 12.0577 12.7417 12.7417 12.8018 12.8018 13.9515 13.9515 14.0342 14.0342 k = 0.0714 0.0412-0.0000 ( 2989 PWs) bands (ev): -42.9674 -42.9674 -42.8913 -42.8913 -20.5088 -20.5088 -20.3073 -20.3073 -18.5353 -18.5353 -18.2488 -18.2488 -18.1781 -18.1781 -18.1630 -18.1630 -1.3894 -1.3894 -0.6475 -0.6475 1.2674 1.2674 6.4760 6.4760 7.5943 7.5943 8.0936 8.0936 8.6049 8.6049 10.1432 10.1432 10.5105 10.5105 11.3701 11.3701 11.5477 11.5477 11.7778 11.7778 12.0353 12.0353 12.7764 12.7764 12.8357 12.8357 13.9549 13.9549 14.0635 14.0635 k = 0.0804 0.0464-0.0000 ( 2993 PWs) bands (ev): -42.9667 -42.9667 -42.8910 -42.8910 -20.5096 -20.5096 -20.3098 -20.3098 -18.5356 -18.5356 -18.2540 -18.2540 -18.1806 -18.1806 -18.1643 -18.1643 -1.3701 -1.3701 -0.6352 -0.6352 1.2698 1.2698 6.5033 6.5033 7.5407 7.5407 8.1052 8.1052 8.6641 8.6641 10.0661 10.0661 10.5116 10.5116 11.2739 11.2739 11.4986 11.4986 11.7648 11.7648 12.0106 12.0106 12.8096 12.8096 12.8681 12.8681 13.9599 13.9599 14.0981 14.0981 k = 0.0893 0.0515-0.0000 ( 2985 PWs) bands (ev): -42.9657 -42.9657 -42.8905 -42.8905 -20.5105 -20.5105 -20.3126 -20.3126 -18.5359 -18.5359 -18.2596 -18.2596 -18.1842 -18.1842 -18.1651 -18.1651 -1.3486 -1.3486 -0.6216 -0.6216 1.2725 1.2725 6.5334 6.5334 7.4896 7.4896 8.1179 8.1179 8.7211 8.7211 9.9856 9.9856 10.5118 10.5118 11.1730 11.1730 11.4508 11.4508 11.7463 11.7463 11.9835 11.9835 12.8415 12.8415 12.8985 12.8985 13.9665 13.9665 14.1380 14.1380 k = 0.0982 0.0567-0.0000 ( 2979 PWs) bands (ev): -42.9646 -42.9646 -42.8900 -42.8900 -20.5115 -20.5115 -20.3157 -20.3157 -18.5363 -18.5363 -18.2655 -18.2655 -18.1886 -18.1886 -18.1656 -18.1656 -1.3251 -1.3251 -0.6068 -0.6068 1.2754 1.2754 6.5662 6.5662 7.4410 7.4410 8.1315 8.1315 8.7754 8.7754 9.9028 9.9028 10.5106 10.5106 11.0681 11.0681 11.4051 11.4051 11.7217 11.7217 11.9541 11.9541 12.8721 12.8721 12.9267 12.9267 13.9745 13.9745 14.1831 14.1831 k = 0.1071 0.0619-0.0000 ( 2980 PWs) bands (ev): -42.9635 -42.9635 -42.8895 -42.8895 -20.5126 -20.5126 -20.3190 -20.3190 -18.5367 -18.5367 -18.2718 -18.2718 -18.1937 -18.1937 -18.1660 -18.1660 -1.2995 -1.2995 -0.5906 -0.5906 1.2786 1.2786 6.6016 6.6016 7.3952 7.3952 8.1459 8.1459 8.8265 8.8265 9.8183 9.8183 10.5077 10.5077 10.9602 10.9602 11.3624 11.3624 11.6908 11.6908 11.9227 11.9227 12.9015 12.9015 12.9531 12.9531 13.9839 13.9839 14.2331 14.2331 k = 0.1161 0.0670-0.0000 ( 2982 PWs) bands (ev): -42.9623 -42.9623 -42.8890 -42.8890 -20.5138 -20.5138 -20.3226 -20.3226 -18.5372 -18.5372 -18.2784 -18.2784 -18.1994 -18.1994 -18.1663 -18.1663 -1.2721 -1.2721 -0.5733 -0.5733 1.2818 1.2818 6.6393 6.6393 7.3524 7.3524 8.1610 8.1610 8.8740 8.8740 9.7328 9.7328 10.5028 10.5028 10.8501 10.8501 11.3230 11.3230 11.6531 11.6531 11.8897 11.8897 12.9296 12.9296 12.9785 12.9785 13.9944 13.9944 14.2877 14.2877 k = 0.1250 0.0722-0.0000 ( 2992 PWs) bands (ev): -42.9612 -42.9612 -42.8887 -42.8887 -20.5151 -20.5151 -20.3265 -20.3265 -18.5377 -18.5377 -18.2853 -18.2853 -18.2055 -18.2055 -18.1666 -18.1666 -1.2428 -1.2428 -0.5549 -0.5549 1.2853 1.2853 6.6789 6.6789 7.3131 7.3131 8.1766 8.1766 8.9172 8.9172 9.6469 9.6469 10.4956 10.4956 10.7388 10.7388 11.2876 11.2876 11.6088 11.6088 11.8555 11.8555 12.9557 12.9557 13.0042 13.0042 14.0057 14.0057 14.3462 14.3462 k = 0.1339 0.0773-0.0000 ( 2992 PWs) bands (ev): -42.9598 -42.9598 -42.8881 -42.8881 -20.5164 -20.5164 -20.3305 -20.3305 -18.5382 -18.5382 -18.2924 -18.2924 -18.2119 -18.2119 -18.1669 -18.1669 -1.2116 -1.2116 -0.5354 -0.5354 1.2890 1.2890 6.7201 6.7201 7.2775 7.2775 8.1926 8.1926 8.9554 8.9554 9.5612 9.5612 10.4857 10.4857 10.6271 10.6271 11.2563 11.2563 11.5582 11.5582 11.8204 11.8204 12.9793 12.9793 13.0317 13.0317 14.0177 14.0177 14.4081 14.4081 k = 0.1429 0.0825-0.0000 ( 2986 PWs) bands (ev): -42.9584 -42.9584 -42.8874 -42.8874 -20.5179 -20.5179 -20.3349 -20.3349 -18.5388 -18.5388 -18.2998 -18.2998 -18.2187 -18.2187 -18.1674 -18.1674 -1.1788 -1.1788 -0.5148 -0.5148 1.2928 1.2928 6.7622 6.7622 7.2463 7.2463 8.2087 8.2087 8.9877 8.9877 9.4764 9.4764 10.4709 10.4709 10.5182 10.5182 11.2292 11.2292 11.5019 11.5019 11.7844 11.7844 13.0005 13.0005 13.0619 13.0619 14.0301 14.0301 14.4728 14.4728 k = 0.1518 0.0876-0.0000 ( 2986 PWs) bands (ev): -42.9569 -42.9569 -42.8868 -42.8868 -20.5194 -20.5194 -20.3394 -20.3394 -18.5394 -18.5394 -18.3074 -18.3074 -18.2257 -18.2257 -18.1679 -18.1679 -1.1444 -1.1444 -0.4933 -0.4933 1.2968 1.2968 6.8042 6.8042 7.2203 7.2203 8.2248 8.2248 9.0130 9.0130 9.3932 9.3932 10.4001 10.4001 10.4644 10.4644 11.2061 11.2061 11.4408 11.4408 11.7478 11.7478 13.0200 13.0200 13.0948 13.0948 14.0428 14.0428 14.5393 14.5393 k = 0.1607 0.0928-0.0000 ( 2986 PWs) bands (ev): -42.9554 -42.9554 -42.8862 -42.8862 -20.5210 -20.5210 -20.3442 -20.3442 -18.5401 -18.5401 -18.3152 -18.3152 -18.2329 -18.2329 -18.1685 -18.1685 -1.1084 -1.1084 -0.4709 -0.4709 1.3011 1.3011 6.8444 6.8444 7.2011 7.2011 8.2408 8.2408 9.0295 9.0295 9.3124 9.3124 10.2937 10.2937 10.4467 10.4467 11.1867 11.1867 11.3759 11.3759 11.7103 11.7103 13.0386 13.0386 13.1303 13.1303 14.0557 14.0557 14.6069 14.6069 k = 0.1696 0.0979-0.0000 ( 2982 PWs) bands (ev): -42.9537 -42.9537 -42.8855 -42.8855 -20.5226 -20.5226 -20.3491 -20.3491 -18.5409 -18.5409 -18.3231 -18.3231 -18.2402 -18.2402 -18.1692 -18.1692 -1.0711 -1.0711 -0.4477 -0.4477 1.3055 1.3055 6.8806 6.8806 7.1907 7.1907 8.2563 8.2563 9.0347 9.0347 9.2358 9.2358 10.1895 10.1895 10.4288 10.4288 11.1702 11.1702 11.3087 11.3087 11.6721 11.6721 13.0574 13.0574 13.1681 13.1681 14.0686 14.0686 14.6747 14.6747 k = 0.1786 0.1031-0.0000 ( 2974 PWs) bands (ev): -42.9520 -42.9520 -42.8848 -42.8848 -20.5243 -20.5243 -20.3543 -20.3543 -18.5417 -18.5417 -18.3312 -18.3312 -18.2477 -18.2477 -18.1700 -18.1700 -1.0324 -1.0324 -0.4238 -0.4238 1.3103 1.3103 6.9096 6.9096 7.1921 7.1921 8.2713 8.2713 9.0244 9.0244 9.1666 9.1666 10.0902 10.0902 10.4102 10.4102 11.1545 11.1545 11.2416 11.2416 11.6331 11.6331 13.0772 13.0772 13.2080 13.2080 14.0817 14.0817 14.7416 14.7416 k = 0.1875 0.1083-0.0000 ( 2970 PWs) bands (ev): -42.9503 -42.9503 -42.8840 -42.8840 -20.5261 -20.5261 -20.3596 -20.3596 -18.5426 -18.5426 -18.3395 -18.3395 -18.2552 -18.2552 -18.1709 -18.1709 -0.9924 -0.9924 -0.3993 -0.3993 1.3153 1.3153 6.9288 6.9288 7.2074 7.2074 8.2855 8.2855 8.9930 8.9930 9.1092 9.1092 9.9974 9.9974 10.3911 10.3911 11.1305 11.1305 11.1843 11.1843 11.5934 11.5934 13.0984 13.0984 13.2497 13.2497 14.0949 14.0949 14.8060 14.8060 k = 0.1964 0.1134-0.0000 ( 2970 PWs) bands (ev): -42.9485 -42.9485 -42.8833 -42.8833 -20.5279 -20.5279 -20.3651 -20.3651 -18.5436 -18.5436 -18.3479 -18.3479 -18.2627 -18.2627 -18.1719 -18.1719 -0.9514 -0.9514 -0.3742 -0.3742 1.3206 1.3206 6.9380 6.9380 7.2365 7.2365 8.2988 8.2988 8.9412 8.9412 9.0618 9.0618 9.9125 9.9125 10.3722 10.3722 11.0778 11.0778 11.1575 11.1575 11.5529 11.5529 13.1217 13.1217 13.2932 13.2932 14.1084 14.1084 14.8661 14.8661 k = 0.2054 0.1186-0.0000 ( 2972 PWs) bands (ev): -42.9467 -42.9467 -42.8827 -42.8827 -20.5298 -20.5298 -20.3707 -20.3707 -18.5446 -18.5446 -18.3564 -18.3564 -18.2702 -18.2702 -18.1730 -18.1730 -0.9094 -0.9094 -0.3488 -0.3488 1.3264 1.3264 6.9396 6.9396 7.2767 7.2767 8.3109 8.3109 8.8791 8.8791 9.0139 9.0139 9.8362 9.8362 10.3539 10.3539 11.0112 11.0112 11.1471 11.1471 11.5117 11.5117 13.1472 13.1472 13.3382 13.3382 14.1222 14.1222 14.9189 14.9189 k = 0.2143 0.1237-0.0000 ( 2978 PWs) bands (ev): -42.9450 -42.9450 -42.8820 -42.8820 -20.5317 -20.5317 -20.3765 -20.3765 -18.5458 -18.5458 -18.3650 -18.3650 -18.2777 -18.2777 -18.1742 -18.1742 -0.8666 -0.8666 -0.3230 -0.3230 1.3326 1.3326 6.9364 6.9364 7.3243 7.3243 8.3216 8.3216 8.8141 8.8141 8.9585 8.9585 9.7686 9.7686 10.3367 10.3367 10.9435 10.9435 11.1408 11.1408 11.4699 11.4699 13.1755 13.1755 13.3843 13.3843 14.1367 14.1367 14.9616 14.9616 k = 0.2232 0.1289-0.0000 ( 2978 PWs) bands (ev): -42.9431 -42.9431 -42.8813 -42.8813 -20.5336 -20.5336 -20.3824 -20.3824 -18.5470 -18.5470 -18.3737 -18.3737 -18.2850 -18.2850 -18.1755 -18.1755 -0.8230 -0.8230 -0.2969 -0.2969 1.3393 1.3393 6.9308 6.9308 7.3766 7.3766 8.3309 8.3309 8.7494 8.7494 8.8940 8.8940 9.7083 9.7083 10.3208 10.3208 10.8775 10.8775 11.1362 11.1362 11.4275 11.4275 13.2066 13.2066 13.4314 13.4314 14.1519 14.1519 14.9922 14.9922 k = 0.2321 0.1340-0.0000 ( 2988 PWs) bands (ev): -42.9413 -42.9413 -42.8808 -42.8808 -20.5356 -20.5356 -20.3885 -20.3885 -18.5483 -18.5483 -18.3824 -18.3824 -18.2921 -18.2921 -18.1768 -18.1768 -0.7789 -0.7789 -0.2708 -0.2708 1.3467 1.3467 6.9240 6.9240 7.4314 7.4314 8.3387 8.3387 8.6861 8.6861 8.8219 8.8219 9.6536 9.6536 10.3067 10.3067 10.8147 10.8147 11.1325 11.1325 11.3847 11.3847 13.2406 13.2406 13.4790 13.4790 14.1684 14.1684 15.0115 15.0115 k = 0.2411 0.1392-0.0000 ( 2996 PWs) bands (ev): -42.9394 -42.9394 -42.8802 -42.8802 -20.5376 -20.5376 -20.3946 -20.3946 -18.5498 -18.5498 -18.3911 -18.3911 -18.2990 -18.2990 -18.1782 -18.1782 -0.7342 -0.7342 -0.2448 -0.2448 1.3547 1.3547 6.9165 6.9165 7.4871 7.4871 8.3447 8.3447 8.6232 8.6232 8.7461 8.7461 9.6021 9.6021 10.2945 10.2945 10.7559 10.7559 11.1293 11.1293 11.3415 11.3415 13.2777 13.2777 13.5265 13.5265 14.1865 14.1865 15.0224 15.0224 k = 0.2500 0.1443-0.0000 ( 2998 PWs) bands (ev): -42.9375 -42.9375 -42.8796 -42.8796 -20.5396 -20.5396 -20.4008 -20.4008 -18.5513 -18.5513 -18.3999 -18.3999 -18.3057 -18.3057 -18.1797 -18.1797 -0.6893 -0.6893 -0.2188 -0.2188 1.3636 1.3636 6.9087 6.9087 7.5423 7.5423 8.3490 8.3490 8.5578 8.5578 8.6729 8.6729 9.5517 9.5517 10.2843 10.2843 10.7018 10.7018 11.1264 11.1264 11.2982 11.2982 13.3178 13.3178 13.5734 13.5734 14.2066 14.2066 15.0278 15.0278 k = 0.2589 0.1495-0.0000 ( 3000 PWs) bands (ev): -42.9356 -42.9356 -42.8789 -42.8789 -20.5417 -20.5417 -20.4070 -20.4070 -18.5529 -18.5529 -18.4087 -18.4087 -18.3120 -18.3120 -18.1812 -18.1812 -0.6442 -0.6442 -0.1932 -0.1932 1.3734 1.3734 6.9004 6.9004 7.5959 7.5959 8.3516 8.3516 8.4850 8.4850 8.6101 8.6101 9.5007 9.5007 10.2763 10.2763 10.6528 10.6528 11.1237 11.1237 11.2547 11.2547 13.3609 13.3609 13.6190 13.6190 14.2294 14.2294 15.0299 15.0299 k = 0.2679 0.1546-0.0000 ( 2996 PWs) bands (ev): -42.9335 -42.9335 -42.8783 -42.8783 -20.5436 -20.5436 -20.4133 -20.4133 -18.5546 -18.5546 -18.4175 -18.4175 -18.3181 -18.3181 -18.1828 -18.1828 -0.5991 -0.5991 -0.1680 -0.1680 1.3842 1.3842 6.8912 6.8912 7.6466 7.6466 8.3522 8.3522 8.4032 8.4032 8.5624 8.5624 9.4481 9.4481 10.2703 10.2703 10.6090 10.6090 11.1211 11.1211 11.2113 11.2113 13.4068 13.4068 13.6627 13.6627 14.2554 14.2554 15.0302 15.0302 k = 0.2768 0.1598-0.0000 ( 3002 PWs) bands (ev): -42.9316 -42.9316 -42.8777 -42.8777 -20.5456 -20.5456 -20.4197 -20.4197 -18.5565 -18.5565 -18.4262 -18.4262 -18.3238 -18.3238 -18.1844 -18.1844 -0.5541 -0.5541 -0.1433 -0.1433 1.3961 1.3961 6.8808 6.8808 7.6932 7.6932 8.3142 8.3142 8.3523 8.3523 8.5290 8.5290 9.3934 9.3934 10.2663 10.2663 10.5703 10.5703 11.1184 11.1184 11.1682 11.1682 13.4552 13.4552 13.7037 13.7037 14.2852 14.2852 15.0296 15.0296 k = 0.2857 0.1650-0.0000 ( 2994 PWs) bands (ev): -42.9296 -42.9296 -42.8770 -42.8770 -20.5476 -20.5476 -20.4260 -20.4260 -18.5584 -18.5584 -18.4349 -18.4349 -18.3292 -18.3292 -18.1861 -18.1861 -0.5094 -0.5094 -0.1193 -0.1193 1.4091 1.4091 6.8687 6.8687 7.7345 7.7345 8.2245 8.2245 8.3494 8.3494 8.5084 8.5084 9.3365 9.3365 10.2643 10.2643 10.5365 10.5365 11.1138 11.1138 11.1276 11.1276 13.5062 13.5062 13.7413 13.7413 14.3193 14.3193 15.0287 15.0287 k = 0.2946 0.1701-0.0000 ( 2998 PWs) bands (ev): -42.9276 -42.9276 -42.8766 -42.8766 -20.5495 -20.5495 -20.4323 -20.4323 -18.5603 -18.5603 -18.4435 -18.4435 -18.3341 -18.3341 -18.1878 -18.1878 -0.4651 -0.4651 -0.0960 -0.0960 1.4234 1.4234 6.8541 6.8541 7.7695 7.7695 8.1351 8.1351 8.3453 8.3453 8.4997 8.4997 9.2778 9.2778 10.2638 10.2638 10.5072 10.5072 11.0808 11.0808 11.1160 11.1160 13.5593 13.5593 13.7751 13.7751 14.3580 14.3580 15.0279 15.0279 k = 0.3036 0.1753-0.0000 ( 2998 PWs) bands (ev): -42.9256 -42.9256 -42.8761 -42.8761 -20.5514 -20.5514 -20.4386 -20.4386 -18.5624 -18.5624 -18.4520 -18.4520 -18.3387 -18.3387 -18.1895 -18.1895 -0.4214 -0.4214 -0.0737 -0.0737 1.4389 1.4389 6.8365 6.8365 7.7975 7.7975 8.0487 8.0487 8.3398 8.3398 8.5020 8.5020 9.2180 9.2180 10.2649 10.2649 10.4818 10.4818 11.0392 11.0392 11.1140 11.1140 13.6142 13.6142 13.8049 13.8049 14.4013 14.4013 15.0275 15.0275 k = 0.3125 0.1804-0.0000 ( 2990 PWs) bands (ev): -42.9236 -42.9236 -42.8755 -42.8755 -20.5532 -20.5532 -20.4448 -20.4448 -18.5645 -18.5645 -18.4604 -18.4604 -18.3429 -18.3429 -18.1912 -18.1912 -0.3784 -0.3784 -0.0524 -0.0524 1.4558 1.4558 6.8153 6.8153 7.8172 7.8172 7.9682 7.9682 8.3329 8.3329 8.5138 8.5138 9.1579 9.1579 10.2671 10.2671 10.4597 10.4597 10.9981 10.9981 11.1128 11.1128 13.6707 13.6707 13.8307 13.8307 14.4491 14.4491 15.0278 15.0278 k = 0.3214 0.1856-0.0000 ( 2990 PWs) bands (ev): -42.9217 -42.9217 -42.8750 -42.8750 -20.5549 -20.5549 -20.4510 -20.4510 -18.5666 -18.5666 -18.4686 -18.4686 -18.3467 -18.3467 -18.1930 -18.1930 -0.3363 -0.3363 -0.0321 -0.0321 1.4740 1.4740 6.7900 6.7900 7.8200 7.8200 7.9040 7.9040 8.3250 8.3250 8.5330 8.5330 9.0988 9.0988 10.2703 10.2703 10.4406 10.4406 10.9578 10.9578 11.1121 11.1121 13.7284 13.7284 13.8527 13.8527 14.5008 14.5008 15.0289 15.0289 k = 0.3304 0.1907-0.0000 ( 2990 PWs) bands (ev): -42.9198 -42.9198 -42.8746 -42.8746 -20.5565 -20.5565 -20.4571 -20.4571 -18.5687 -18.5687 -18.4768 -18.4768 -18.3501 -18.3501 -18.1947 -18.1947 -0.2952 -0.2952 -0.0130 -0.0130 1.4935 1.4935 6.7602 6.7602 7.7806 7.7806 7.8836 7.8836 8.3162 8.3162 8.5569 8.5569 9.0423 9.0423 10.2742 10.2742 10.4240 10.4240 10.9186 10.9186 11.1122 11.1122 13.7869 13.7869 13.8714 13.8714 14.5558 14.5558 15.0308 15.0308 k = 0.3393 0.1959-0.0000 ( 2990 PWs) bands (ev): -42.9179 -42.9179 -42.8742 -42.8742 -20.5581 -20.5581 -20.4631 -20.4631 -18.5709 -18.5709 -18.4847 -18.4847 -18.3532 -18.3532 -18.1965 -18.1965 -0.2554 -0.2554 0.0049 0.0049 1.5143 1.5143 6.7258 6.7258 7.7186 7.7186 7.8892 7.8892 8.3067 8.3067 8.5819 8.5819 8.9906 8.9906 10.2786 10.2786 10.4094 10.4094 10.8807 10.8807 11.1129 11.1129 13.8455 13.8455 13.8874 13.8874 14.6134 14.6134 15.0338 15.0338 k = 0.3482 0.2010-0.0000 ( 2982 PWs) bands (ev): -42.9160 -42.9160 -42.8737 -42.8737 -20.5596 -20.5596 -20.4689 -20.4689 -18.5729 -18.5729 -18.4924 -18.4924 -18.3559 -18.3559 -18.1982 -18.1982 -0.2168 -0.2168 0.0216 0.0216 1.5362 1.5362 6.6869 6.6869 7.6565 7.6565 7.8996 7.8996 8.2966 8.2966 8.6037 8.6037 8.9470 8.9470 10.2831 10.2831 10.3965 10.3965 10.8443 10.8443 11.1143 11.1143 13.8952 13.8952 13.9098 13.9098 14.6727 14.6727 15.0377 15.0377 k = 0.3571 0.2062-0.0000 ( 2988 PWs) bands (ev): -42.9143 -42.9143 -42.8735 -42.8735 -20.5609 -20.5609 -20.4747 -20.4747 -18.5750 -18.5750 -18.4999 -18.4999 -18.3583 -18.3583 -18.1999 -18.1999 -0.1798 -0.1798 0.0370 0.0370 1.5591 1.5591 6.6438 6.6438 7.5986 7.5986 7.9111 7.9111 8.2862 8.2862 8.6169 8.6169 8.9158 8.9158 10.2877 10.2877 10.3853 10.3853 10.8095 10.8095 11.1164 11.1164 13.9092 13.9092 13.9655 13.9655 14.7329 14.7329 15.0426 15.0426 k = 0.3661 0.2114-0.0000 ( 2994 PWs) bands (ev): -42.9126 -42.9126 -42.8733 -42.8733 -20.5622 -20.5622 -20.4803 -20.4803 -18.5769 -18.5769 -18.5072 -18.5072 -18.3604 -18.3604 -18.2016 -18.2016 -0.1443 -0.1443 0.0513 0.0513 1.5828 1.5828 6.5972 6.5972 7.5459 7.5459 7.9231 7.9231 8.2755 8.2755 8.6169 8.6169 8.9009 8.9009 10.2920 10.2920 10.3756 10.3756 10.7764 10.7764 11.1192 11.1192 13.9184 13.9184 14.0233 14.0233 14.7933 14.7933 15.0485 15.0485 k = 0.3750 0.2165-0.0000 ( 3006 PWs) bands (ev): -42.9111 -42.9111 -42.8731 -42.8731 -20.5633 -20.5633 -20.4857 -20.4857 -18.5788 -18.5788 -18.5143 -18.5143 -18.3622 -18.3622 -18.2032 -18.2032 -0.1106 -0.1106 0.0643 0.0643 1.6072 1.6072 6.5479 6.5479 7.4985 7.4985 7.9350 7.9350 8.2648 8.2648 8.6036 8.6036 8.9023 8.9023 10.2959 10.2959 10.3674 10.3674 10.7452 10.7452 11.1226 11.1226 13.9259 13.9259 14.0803 14.0803 14.8532 14.8532 15.0552 15.0552 k = 0.3839 0.2217-0.0000 ( 3002 PWs) bands (ev): -42.9095 -42.9095 -42.8729 -42.8729 -20.5643 -20.5643 -20.4909 -20.4909 -18.5804 -18.5804 -18.5210 -18.5210 -18.3637 -18.3637 -18.2048 -18.2048 -0.0789 -0.0789 0.0762 0.0762 1.6320 1.6320 6.4967 6.4967 7.4562 7.4562 7.9462 7.9462 8.2540 8.2540 8.5816 8.5816 8.9151 8.9151 10.2993 10.2993 10.3608 10.3608 10.7158 10.7158 11.1267 11.1267 13.9321 13.9321 14.1358 14.1358 14.9119 14.9119 15.0627 15.0627 k = 0.3929 0.2268-0.0000 ( 3002 PWs) bands (ev): -42.9080 -42.9080 -42.8727 -42.8727 -20.5651 -20.5651 -20.4959 -20.4959 -18.5820 -18.5820 -18.5275 -18.5275 -18.3650 -18.3650 -18.2063 -18.2063 -0.0492 -0.0492 0.0870 0.0870 1.6569 1.6569 6.4448 6.4448 7.4186 7.4186 7.9560 7.9560 8.2435 8.2435 8.5570 8.5570 8.9335 8.9335 10.3021 10.3021 10.3561 10.3561 10.6883 10.6883 11.1311 11.1311 13.9372 13.9372 14.1894 14.1894 14.9688 14.9688 15.0711 15.0711 k = 0.4018 0.2320-0.0000 ( 3006 PWs) bands (ev): -42.9065 -42.9065 -42.8726 -42.8726 -20.5658 -20.5658 -20.5006 -20.5006 -18.5833 -18.5833 -18.5336 -18.5336 -18.3660 -18.3660 -18.2078 -18.2078 -0.0217 -0.0217 0.0969 0.0969 1.6816 1.6816 6.3930 6.3930 7.3855 7.3855 7.9634 7.9634 8.2332 8.2332 8.5341 8.5341 8.9533 8.9533 10.3042 10.3042 10.3533 10.3533 10.6625 10.6625 11.1360 11.1360 13.9413 13.9413 14.2407 14.2407 15.0231 15.0231 15.0805 15.0805 k = 0.4107 0.2371-0.0000 ( 3004 PWs) bands (ev): -42.9051 -42.9051 -42.8725 -42.8725 -20.5664 -20.5664 -20.5051 -20.5051 -18.5844 -18.5844 -18.5395 -18.5395 -18.3669 -18.3669 -18.2091 -18.2091 0.0034 0.0034 0.1059 0.1059 1.7057 1.7057 6.3424 6.3424 7.3565 7.3565 7.9677 7.9677 8.2234 8.2234 8.5158 8.5158 8.9719 8.9719 10.3057 10.3057 10.3526 10.3526 10.6384 10.6384 11.1411 11.1411 13.9447 13.9447 14.2891 14.2891 15.0707 15.0707 15.0947 15.0947 k = 0.4196 0.2423-0.0000 ( 3012 PWs) bands (ev): -42.9040 -42.9040 -42.8725 -42.8725 -20.5669 -20.5669 -20.5094 -20.5094 -18.5853 -18.5853 -18.5450 -18.5450 -18.3676 -18.3676 -18.2104 -18.2104 0.0260 0.0260 0.1143 0.1143 1.7290 1.7290 6.2938 6.2938 7.3313 7.3313 7.9684 7.9684 8.2142 8.2142 8.5034 8.5034 8.9879 8.9879 10.3067 10.3067 10.3540 10.3540 10.6157 10.6157 11.1462 11.1462 13.9474 13.9474 14.3344 14.3344 15.0921 15.0921 15.1326 15.1326 k = 0.4286 0.2474-0.0000 ( 3010 PWs) bands (ev): -42.9028 -42.9028 -42.8725 -42.8725 -20.5672 -20.5672 -20.5133 -20.5133 -18.5860 -18.5860 -18.5502 -18.5502 -18.3682 -18.3682 -18.2116 -18.2116 0.0458 0.0458 0.1222 0.1222 1.7511 1.7511 6.2481 6.2481 7.3095 7.3095 7.9655 7.9655 8.2057 8.2057 8.4973 8.4973 9.0006 9.0006 10.3075 10.3075 10.3573 10.3573 10.5944 10.5944 11.1513 11.1513 13.9495 13.9495 14.3761 14.3761 15.1024 15.1024 15.1790 15.1790 k = 0.4375 0.2526-0.0000 ( 3014 PWs) bands (ev): -42.9018 -42.9018 -42.8725 -42.8725 -20.5673 -20.5673 -20.5169 -20.5169 -18.5864 -18.5864 -18.5550 -18.5550 -18.3686 -18.3686 -18.2126 -18.2126 0.0627 0.0627 0.1298 0.1298 1.7717 1.7717 6.2060 6.2060 7.2909 7.2909 7.9594 7.9594 8.1980 8.1980 8.4970 8.4970 9.0098 9.0098 10.3083 10.3083 10.3626 10.3626 10.5741 10.5741 11.1562 11.1562 13.9512 13.9512 14.4139 14.4139 15.1111 15.1111 15.2239 15.2239 k = 0.4464 0.2577-0.0000 ( 3016 PWs) bands (ev): -42.9008 -42.9008 -42.8726 -42.8726 -20.5674 -20.5674 -20.5201 -20.5201 -18.5865 -18.5865 -18.5594 -18.5594 -18.3690 -18.3690 -18.2136 -18.2136 0.0766 0.0766 0.1371 0.1371 1.7903 1.7903 6.1682 6.1682 7.2753 7.2753 7.9512 7.9512 8.1914 8.1914 8.5014 8.5014 9.0156 9.0156 10.3090 10.3090 10.3696 10.3696 10.5548 10.5548 11.1607 11.1607 13.9524 13.9524 14.4474 14.4474 15.1190 15.1190 15.2660 15.2660 k = 0.4554 0.2629-0.0000 ( 3016 PWs) bands (ev): -42.9000 -42.9000 -42.8725 -42.8725 -20.5674 -20.5674 -20.5229 -20.5229 -18.5863 -18.5863 -18.5635 -18.5635 -18.3693 -18.3693 -18.2144 -18.2144 0.0875 0.0875 0.1441 0.1441 1.8067 1.8067 6.1352 6.1352 7.2624 7.2624 7.9418 7.9418 8.1857 8.1857 8.5089 8.5089 9.0185 9.0185 10.3097 10.3097 10.3783 10.3783 10.5363 10.5363 11.1648 11.1648 13.9534 13.9534 14.4763 14.4763 15.1260 15.1260 15.3048 15.3048 k = 0.4643 0.2681-0.0000 ( 3012 PWs) bands (ev): -42.8993 -42.8993 -42.8725 -42.8725 -20.5673 -20.5673 -20.5253 -20.5253 -18.5858 -18.5858 -18.5672 -18.5672 -18.3694 -18.3694 -18.2150 -18.2150 0.0957 0.0957 0.1506 0.1506 1.8205 1.8205 6.1075 6.1075 7.2521 7.2521 7.9326 7.9326 8.1810 8.1810 8.5180 8.5180 9.0192 9.0192 10.3104 10.3104 10.3886 10.3886 10.5185 10.5185 11.1683 11.1683 13.9541 13.9541 14.5004 14.5004 15.1320 15.1320 15.3396 15.3396 k = 0.4732 0.2732-0.0000 ( 3016 PWs) bands (ev): -42.8988 -42.8988 -42.8726 -42.8726 -20.5672 -20.5672 -20.5272 -20.5272 -18.5851 -18.5851 -18.5704 -18.5704 -18.3696 -18.3696 -18.2156 -18.2156 0.1015 0.1015 0.1561 0.1561 1.8316 1.8316 6.0856 6.0856 7.2443 7.2443 7.9243 7.9243 8.1773 8.1773 8.5270 8.5270 9.0185 9.0185 10.3109 10.3109 10.4000 10.4000 10.5016 10.5016 11.1711 11.1711 13.9546 13.9546 14.5193 14.5193 15.1368 15.1368 15.3692 15.3692 k = 0.4821 0.2784-0.0000 ( 3008 PWs) bands (ev): -42.8983 -42.8983 -42.8726 -42.8726 -20.5671 -20.5671 -20.5286 -20.5286 -18.5842 -18.5842 -18.5731 -18.5731 -18.3697 -18.3697 -18.2159 -18.2159 0.1054 0.1054 0.1604 0.1604 1.8397 1.8397 6.0697 6.0697 7.2388 7.2388 7.9179 7.9179 8.1747 8.1747 8.5346 8.5346 9.0172 9.0172 10.3113 10.3113 10.4121 10.4121 10.4858 10.4858 11.1731 11.1731 13.9549 13.9549 14.5331 14.5331 15.1403 15.1403 15.3923 15.3923 k = 0.4911 0.2835-0.0000 ( 3012 PWs) bands (ev): -42.8981 -42.8981 -42.8726 -42.8726 -20.5671 -20.5671 -20.5294 -20.5294 -18.5833 -18.5833 -18.5751 -18.5751 -18.3697 -18.3697 -18.2162 -18.2162 0.1076 0.1076 0.1630 0.1630 1.8446 1.8446 6.0601 6.0601 7.2356 7.2356 7.9138 7.9138 8.1732 8.1732 8.5397 8.5397 9.0160 9.0160 10.3115 10.3115 10.4232 10.4232 10.4726 10.4726 11.1744 11.1744 13.9551 13.9551 14.5414 14.5414 15.1425 15.1425 15.4072 15.4072 k = 0.5000 0.2887-0.0000 ( 3014 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.1084 0.1084 0.1639 0.1639 1.8462 1.8462 6.0568 6.0568 7.2345 7.2345 7.9124 7.9124 8.1726 8.1726 8.5414 8.5414 9.0156 9.0156 10.3116 10.3116 10.4286 10.4286 10.4664 10.4664 11.1748 11.1748 13.9552 13.9552 14.5441 14.5441 15.1432 15.1432 15.4123 15.4123 k = 0.5000 0.2887-0.0000 ( 3014 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.1084 0.1084 0.1639 0.1639 1.8462 1.8462 6.0568 6.0568 7.2345 7.2345 7.9124 7.9124 8.1726 8.1726 8.5414 8.5414 9.0156 9.0156 10.3116 10.3116 10.4286 10.4286 10.4664 10.4664 11.1748 11.1748 13.9552 13.9552 14.5441 14.5441 15.1432 15.1432 15.4123 15.4123 k = 0.4949 0.2974-0.0000 ( 3014 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5298 -20.5298 -18.5834 -18.5834 -18.5754 -18.5754 -18.3698 -18.3698 -18.2164 -18.2164 0.1090 0.1090 0.1644 0.1644 1.8458 1.8458 6.0585 6.0585 7.2340 7.2340 7.9136 7.9136 8.1739 8.1739 8.5408 8.5408 9.0158 9.0158 10.2995 10.2995 10.4162 10.4162 10.4795 10.4795 11.1793 11.1793 13.9588 13.9588 14.5425 14.5425 15.1411 15.1411 15.4130 15.4130 k = 0.4899 0.3062-0.0000 ( 3010 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5298 -20.5298 -18.5846 -18.5846 -18.5742 -18.5742 -18.3700 -18.3700 -18.2169 -18.2169 0.1111 0.1111 0.1656 0.1656 1.8446 1.8446 6.0634 6.0634 7.2325 7.2325 7.9171 7.9171 8.1779 8.1779 8.5390 8.5390 9.0164 9.0164 10.2675 10.2675 10.3913 10.3913 10.5025 10.5025 11.1923 11.1923 13.9696 13.9696 14.5377 14.5377 15.1350 15.1350 15.4149 15.4149 k = 0.4848 0.3149-0.0000 ( 3014 PWs) bands (ev): -42.8979 -42.8979 -42.8726 -42.8726 -20.5670 -20.5670 -20.5300 -20.5300 -18.5861 -18.5861 -18.5726 -18.5726 -18.3704 -18.3704 -18.2178 -18.2178 0.1144 0.1144 0.1677 0.1677 1.8425 1.8425 6.0716 6.0716 7.2301 7.2301 7.9228 7.9228 8.1843 8.1843 8.5360 8.5360 9.0174 9.0174 10.2231 10.2231 10.3581 10.3581 10.5252 10.5252 11.2130 11.2130 13.9872 13.9872 14.5296 14.5296 15.1247 15.1247 15.4184 15.4184 k = 0.4798 0.3237-0.0000 ( 3016 PWs) bands (ev): -42.8978 -42.8978 -42.8726 -42.8726 -20.5670 -20.5670 -20.5302 -20.5302 -18.5877 -18.5877 -18.5708 -18.5708 -18.3710 -18.3710 -18.2190 -18.2190 0.1191 0.1191 0.1706 0.1706 1.8397 1.8397 6.0830 6.0830 7.2270 7.2270 7.9308 7.9308 8.1930 8.1930 8.5318 8.5318 9.0188 9.0188 10.1707 10.1707 10.3166 10.3166 10.5447 10.5447 11.2402 11.2402 14.0110 14.0110 14.5185 14.5185 15.1104 15.1104 15.4236 15.4236 k = 0.4747 0.3324-0.0000 ( 3016 PWs) bands (ev): -42.8975 -42.8975 -42.8726 -42.8726 -20.5670 -20.5670 -20.5305 -20.5305 -18.5895 -18.5895 -18.5690 -18.5690 -18.3716 -18.3716 -18.2205 -18.2205 0.1250 0.1250 0.1744 0.1744 1.8361 1.8361 6.0976 6.0976 7.2233 7.2233 7.9411 7.9411 8.2038 8.2038 8.5263 8.5263 9.0204 9.0204 10.1130 10.1130 10.2676 10.2676 10.5597 10.5597 11.2728 11.2728 14.0403 14.0403 14.5044 14.5044 15.0922 15.0922 15.4310 15.4310 k = 0.4697 0.3412-0.0000 ( 3020 PWs) bands (ev): -42.8973 -42.8973 -42.8727 -42.8727 -20.5670 -20.5670 -20.5308 -20.5308 -18.5913 -18.5913 -18.5671 -18.5671 -18.3725 -18.3725 -18.2223 -18.2223 0.1322 0.1322 0.1789 0.1789 1.8317 1.8317 6.1154 6.1154 7.2192 7.2192 7.9537 7.9537 8.2163 8.2163 8.5196 8.5196 9.0223 9.0223 10.0515 10.0515 10.2120 10.2120 10.5696 10.5696 11.3097 11.3097 14.0740 14.0740 14.4875 14.4875 15.0702 15.0702 15.4409 15.4409 k = 0.4646 0.3499-0.0000 ( 3016 PWs) bands (ev): -42.8970 -42.8970 -42.8726 -42.8726 -20.5670 -20.5670 -20.5312 -20.5312 -18.5931 -18.5931 -18.5651 -18.5651 -18.3734 -18.3734 -18.2244 -18.2244 0.1405 0.1405 0.1842 0.1842 1.8267 1.8267 6.1363 6.1363 7.2150 7.2150 7.9685 7.9685 8.2302 8.2302 8.5118 8.5118 9.0243 9.0243 9.9872 9.9872 10.1510 10.1510 10.5743 10.5743 11.3502 11.3502 14.1110 14.1110 14.4678 14.4678 15.0446 15.0446 15.4535 15.4535 k = 0.4596 0.3587-0.0000 ( 3020 PWs) bands (ev): -42.8967 -42.8967 -42.8727 -42.8727 -20.5670 -20.5670 -20.5316 -20.5316 -18.5950 -18.5950 -18.5631 -18.5631 -18.3744 -18.3744 -18.2268 -18.2268 0.1500 0.1500 0.1903 0.1903 1.8209 1.8209 6.1602 6.1602 7.2107 7.2107 7.9854 7.9854 8.2450 8.2450 8.5027 8.5027 9.0264 9.0264 9.9209 9.9209 10.0856 10.0856 10.5737 10.5737 11.3939 11.3939 14.1502 14.1502 14.4455 14.4455 15.0155 15.0155 15.4676 15.4676 k = 0.4545 0.3674-0.0000 ( 3020 PWs) bands (ev): -42.8963 -42.8963 -42.8727 -42.8727 -20.5670 -20.5670 -20.5321 -20.5321 -18.5969 -18.5969 -18.5610 -18.5610 -18.3755 -18.3755 -18.2295 -18.2295 0.1604 0.1604 0.1971 0.1971 1.8145 1.8145 6.1871 6.1871 7.2068 7.2068 8.0044 8.0044 8.2601 8.2601 8.4924 8.4924 9.0284 9.0284 9.8534 9.8534 10.0168 10.0168 10.5678 10.5678 11.4403 11.4403 14.1903 14.1903 14.4208 14.4208 14.9832 14.9832 15.4756 15.4756 k = 0.4495 0.3762-0.0000 ( 3024 PWs) bands (ev): -42.8959 -42.8959 -42.8728 -42.8728 -20.5670 -20.5670 -20.5327 -20.5327 -18.5987 -18.5987 -18.5590 -18.5590 -18.3767 -18.3767 -18.2324 -18.2324 0.1718 0.1718 0.2046 0.2046 1.8075 1.8075 6.2170 6.2170 7.2033 7.2033 8.0255 8.0255 8.2750 8.2750 8.4810 8.4810 9.0302 9.0302 9.7853 9.7853 9.9457 9.9457 10.5569 10.5569 11.4894 11.4894 14.2299 14.2299 14.3936 14.3936 14.9478 14.9478 15.4666 15.4666 k = 0.4444 0.3849-0.0000 ( 3016 PWs) bands (ev): -42.8953 -42.8953 -42.8728 -42.8728 -20.5669 -20.5669 -20.5333 -20.5333 -18.6007 -18.6007 -18.5569 -18.5569 -18.3780 -18.3780 -18.2355 -18.2355 0.1839 0.1839 0.2128 0.2128 1.8000 1.8000 6.2496 6.2496 7.2006 7.2006 8.0486 8.0486 8.2891 8.2891 8.4685 8.4685 9.0317 9.0317 9.7172 9.7172 9.8732 9.8732 10.5410 10.5410 11.5410 11.5410 14.2678 14.2678 14.3644 14.3644 14.9096 14.9096 15.4503 15.4503 k = 0.4394 0.3936-0.0000 ( 3016 PWs) bands (ev): -42.8948 -42.8948 -42.8728 -42.8728 -20.5669 -20.5669 -20.5339 -20.5339 -18.6026 -18.6026 -18.5549 -18.5549 -18.3792 -18.3792 -18.2388 -18.2388 0.1966 0.1966 0.2218 0.2218 1.7919 1.7919 6.2849 6.2849 7.1987 7.1987 8.0735 8.0735 8.3013 8.3013 8.4551 8.4551 9.0327 9.0327 9.6498 9.6498 9.8005 9.8005 10.5204 10.5204 11.5950 11.5950 14.3012 14.3012 14.3348 14.3348 14.8692 14.8692 15.4318 15.4318 k = 0.4343 0.4024-0.0000 ( 3008 PWs) bands (ev): -42.8942 -42.8942 -42.8727 -42.8727 -20.5668 -20.5668 -20.5347 -20.5347 -18.6045 -18.6045 -18.5528 -18.5528 -18.3805 -18.3805 -18.2423 -18.2423 0.2097 0.2097 0.2315 0.2315 1.7835 1.7835 6.3229 6.3229 7.1979 7.1979 8.1001 8.1001 8.3107 8.3107 8.4411 8.4411 9.0331 9.0331 9.5835 9.5835 9.7287 9.7287 10.4954 10.4954 11.6515 11.6515 14.2944 14.2944 14.3395 14.3395 14.8272 14.8272 15.4122 15.4122 k = 0.4293 0.4111-0.0000 ( 3012 PWs) bands (ev): -42.8937 -42.8937 -42.8729 -42.8729 -20.5668 -20.5668 -20.5354 -20.5354 -18.6065 -18.6065 -18.5508 -18.5508 -18.3818 -18.3818 -18.2460 -18.2460 0.2230 0.2230 0.2422 0.2422 1.7748 1.7748 6.3633 6.3633 7.1982 7.1982 8.1282 8.1282 8.3162 8.3162 8.4267 8.4267 9.0327 9.0327 9.5189 9.5189 9.6591 9.6591 10.4663 10.4663 11.7106 11.7106 14.2593 14.2593 14.3655 14.3655 14.7847 14.7847 15.3921 15.3921 k = 0.4242 0.4199-0.0000 ( 3016 PWs) bands (ev): -42.8930 -42.8930 -42.8731 -42.8731 -20.5667 -20.5667 -20.5363 -20.5363 -18.6084 -18.6084 -18.5488 -18.5488 -18.3831 -18.3831 -18.2498 -18.2498 0.2360 0.2360 0.2538 0.2538 1.7658 1.7658 6.4061 6.4061 7.1998 7.1998 8.1571 8.1571 8.3168 8.3168 8.4123 8.4123 9.0314 9.0314 9.4565 9.4565 9.5931 9.5931 10.4334 10.4334 11.7722 11.7722 14.2207 14.2207 14.3865 14.3865 14.7432 14.7432 15.3717 15.3717 k = 0.4192 0.4286-0.0000 ( 3012 PWs) bands (ev): -42.8924 -42.8924 -42.8731 -42.8731 -20.5666 -20.5666 -20.5372 -20.5372 -18.6104 -18.6104 -18.5469 -18.5469 -18.3843 -18.3843 -18.2536 -18.2536 0.2485 0.2485 0.2666 0.2666 1.7567 1.7567 6.4510 6.4510 7.2029 7.2029 8.1860 8.1860 8.3123 8.3123 8.3976 8.3976 9.0292 9.0292 9.3967 9.3967 9.5322 9.5322 10.3969 10.3969 11.8364 11.8364 14.1798 14.1798 14.3992 14.3992 14.7056 14.7056 15.3516 15.3516 k = 0.4141 0.4374-0.0000 ( 3018 PWs) bands (ev): -42.8917 -42.8917 -42.8734 -42.8734 -20.5665 -20.5665 -20.5381 -20.5381 -18.6123 -18.6123 -18.5450 -18.5450 -18.3855 -18.3855 -18.2576 -18.2576 0.2606 0.2606 0.2802 0.2802 1.7475 1.7475 6.4981 6.4981 7.2074 7.2074 8.2121 8.2121 8.3046 8.3046 8.3820 8.3820 9.0260 9.0260 9.3398 9.3398 9.4780 9.4780 10.3573 10.3573 11.9032 11.9032 14.1365 14.1365 14.4000 14.4000 14.6759 14.6759 15.3318 15.3318 k = 0.4091 0.4461-0.0000 ( 3010 PWs) bands (ev): -42.8909 -42.8909 -42.8735 -42.8735 -20.5663 -20.5663 -20.5391 -20.5391 -18.6142 -18.6142 -18.5432 -18.5432 -18.3865 -18.3865 -18.2615 -18.2615 0.2722 0.2722 0.2945 0.2945 1.7384 1.7384 6.5470 6.5470 7.2134 7.2134 8.2278 8.2278 8.2997 8.2997 8.3660 8.3660 9.0218 9.0218 9.2861 9.2861 9.4318 9.4318 10.3148 10.3148 11.9728 11.9728 14.0911 14.0911 14.3855 14.3855 14.6580 14.6580 15.3127 15.3127 k = 0.4040 0.4549-0.0000 ( 3007 PWs) bands (ev): -42.8901 -42.8901 -42.8736 -42.8736 -20.5662 -20.5662 -20.5401 -20.5401 -18.6161 -18.6161 -18.5415 -18.5415 -18.3875 -18.3875 -18.2655 -18.2655 0.2835 0.2835 0.3089 0.3089 1.7295 1.7295 6.5977 6.5977 7.2210 7.2210 8.2233 8.2233 8.2985 8.2985 8.3576 8.3576 9.0168 9.0168 9.2358 9.2358 9.3946 9.3946 10.2698 10.2698 12.0451 12.0451 14.0436 14.0436 14.3551 14.3551 14.6534 14.6534 15.2942 15.2942 k = 0.3990 0.4636-0.0000 ( 3009 PWs) bands (ev): -42.8894 -42.8894 -42.8738 -42.8738 -20.5660 -20.5660 -20.5412 -20.5412 -18.6180 -18.6180 -18.5398 -18.5398 -18.3884 -18.3884 -18.2694 -18.2694 0.2946 0.2946 0.3233 0.3233 1.7208 1.7208 6.6499 6.6499 7.2301 7.2301 8.2026 8.2026 8.2801 8.2801 8.3731 8.3731 9.0110 9.0110 9.1892 9.1892 9.3670 9.3670 10.2227 10.2227 12.1202 12.1202 13.9943 13.9943 14.3119 14.3119 14.6594 14.6594 15.2764 15.2764 k = 0.3939 0.4724-0.0000 ( 3013 PWs) bands (ev): -42.8887 -42.8887 -42.8741 -42.8741 -20.5658 -20.5658 -20.5424 -20.5424 -18.6198 -18.6198 -18.5383 -18.5383 -18.3891 -18.3891 -18.2732 -18.2732 0.3056 0.3056 0.3373 0.3373 1.7125 1.7125 6.7033 6.7033 7.2408 7.2408 8.1730 8.1730 8.2464 8.2464 8.4039 8.4039 9.0046 9.0046 9.1463 9.1463 9.3489 9.3489 10.1738 10.1738 12.1980 12.1980 13.9432 13.9432 14.2600 14.2600 14.6727 14.6727 15.2592 15.2592 k = 0.3889 0.4811-0.0000 ( 3005 PWs) bands (ev): -42.8879 -42.8879 -42.8742 -42.8742 -20.5655 -20.5655 -20.5435 -20.5435 -18.6215 -18.6215 -18.5369 -18.5369 -18.3898 -18.3898 -18.2770 -18.2770 0.3162 0.3162 0.3507 0.3507 1.7047 1.7047 6.7579 6.7579 7.2529 7.2529 8.1358 8.1358 8.2069 8.2069 8.4400 8.4400 8.9974 8.9974 9.1072 9.1072 9.3397 9.3397 10.1236 10.1236 12.2784 12.2784 13.8908 13.8908 14.2025 14.2025 14.6907 14.6907 15.2426 15.2426 k = 0.3838 0.4899-0.0000 ( 2999 PWs) bands (ev): -42.8870 -42.8870 -42.8744 -42.8744 -20.5651 -20.5651 -20.5447 -20.5447 -18.6231 -18.6231 -18.5357 -18.5357 -18.3903 -18.3903 -18.2805 -18.2805 0.3267 0.3267 0.3634 0.3634 1.6975 1.6975 6.8134 6.8134 7.2664 7.2664 8.0899 8.0899 8.1669 8.1669 8.4784 8.4784 8.9891 8.9891 9.0720 9.0720 9.3387 9.3387 10.0723 10.0723 12.3614 12.3614 13.8374 13.8374 14.1415 14.1415 14.7119 14.7119 15.2263 15.2263 k = 0.3788 0.4986-0.0000 ( 3007 PWs) bands (ev): -42.8863 -42.8863 -42.8748 -42.8748 -20.5648 -20.5648 -20.5460 -20.5460 -18.6247 -18.6247 -18.5346 -18.5346 -18.3907 -18.3907 -18.2839 -18.2839 0.3368 0.3368 0.3750 0.3750 1.6909 1.6909 6.8693 6.8693 7.2811 7.2811 8.0353 8.0353 8.1296 8.1296 8.5178 8.5178 8.9794 8.9794 9.0408 9.0408 9.3450 9.3450 10.0203 10.0203 12.4469 12.4469 13.7832 13.7832 14.0782 14.0782 14.7355 14.7355 15.2100 15.2100 k = 0.3737 0.5074-0.0000 ( 3007 PWs) bands (ev): -42.8856 -42.8856 -42.8751 -42.8751 -20.5643 -20.5643 -20.5472 -20.5472 -18.6262 -18.6262 -18.5336 -18.5336 -18.3909 -18.3909 -18.2871 -18.2871 0.3464 0.3464 0.3856 0.3856 1.6850 1.6850 6.9255 6.9255 7.2969 7.2969 7.9741 7.9741 8.0953 8.0953 8.5577 8.5577 8.9677 8.9677 9.0137 9.0137 9.3575 9.3575 9.9682 9.9682 12.5345 12.5345 13.7289 13.7289 14.0137 14.0137 14.7609 14.7609 15.1935 15.1935 k = 0.3687 0.5161-0.0000 ( 3007 PWs) bands (ev): -42.8848 -42.8848 -42.8755 -42.8755 -20.5638 -20.5638 -20.5485 -20.5485 -18.6275 -18.6275 -18.5327 -18.5327 -18.3911 -18.3911 -18.2900 -18.2900 0.3556 0.3556 0.3949 0.3949 1.6800 1.6800 6.9815 6.9815 7.3135 7.3135 7.9089 7.9089 8.0636 8.0636 8.5973 8.5973 8.9538 8.9538 8.9908 8.9908 9.3754 9.3754 9.9162 9.9162 12.6239 12.6239 13.6751 13.6751 13.9486 13.9486 14.7877 14.7877 15.1763 15.1763 k = 0.3636 0.5249-0.0000 ( 2999 PWs) bands (ev): -42.8839 -42.8839 -42.8758 -42.8758 -20.5633 -20.5633 -20.5498 -20.5498 -18.6287 -18.6287 -18.5320 -18.5320 -18.3912 -18.3912 -18.2926 -18.2926 0.3642 0.3642 0.4027 0.4027 1.6758 1.6758 7.0369 7.0369 7.3304 7.3304 7.8423 7.8423 8.0344 8.0344 8.6363 8.6363 8.9381 8.9381 8.9715 8.9715 9.3978 9.3978 9.8648 9.8648 12.7144 12.7144 13.6225 13.6225 13.8833 13.8833 14.8158 14.8158 15.1583 15.1583 k = 0.3586 0.5336-0.0000 ( 2999 PWs) bands (ev): -42.8831 -42.8831 -42.8763 -42.8763 -20.5626 -20.5626 -20.5511 -20.5511 -18.6298 -18.6298 -18.5315 -18.5315 -18.3912 -18.3912 -18.2949 -18.2949 0.3721 0.3721 0.4092 0.4092 1.6724 1.6724 7.0912 7.0912 7.3468 7.3468 7.7762 7.7762 8.0080 8.0080 8.6742 8.6742 8.9215 8.9215 8.9547 8.9547 9.4240 9.4240 9.8144 9.8144 12.8051 12.8051 13.5724 13.5724 13.8185 13.8185 14.8448 14.8448 15.1389 15.1389 k = 0.3535 0.5424-0.0000 ( 3007 PWs) bands (ev): -42.8825 -42.8825 -42.8769 -42.8769 -20.5619 -20.5619 -20.5524 -20.5524 -18.6307 -18.6307 -18.5311 -18.5311 -18.3911 -18.3911 -18.2968 -18.2968 0.3791 0.3791 0.4140 0.4140 1.6697 1.6697 7.1436 7.1436 7.3616 7.3616 7.7132 7.7132 7.9847 7.9847 8.7103 8.7103 8.9050 8.9050 8.9395 8.9395 9.4532 9.4532 9.7654 9.7654 12.8940 12.8940 13.5268 13.5268 13.7545 13.7545 14.8744 14.8744 15.1181 15.1181 k = 0.3485 0.5511-0.0000 ( 3011 PWs) bands (ev): -42.8817 -42.8817 -42.8775 -42.8775 -20.5612 -20.5612 -20.5536 -20.5536 -18.6314 -18.6314 -18.5308 -18.5308 -18.3911 -18.3911 -18.2984 -18.2984 0.3852 0.3852 0.4174 0.4174 1.6679 1.6679 7.1935 7.1935 7.3722 7.3722 7.6566 7.6566 7.9654 7.9654 8.7438 8.7438 8.8892 8.8892 8.9258 8.9258 9.4849 9.4849 9.7183 9.7183 12.9775 12.9775 13.4894 13.4894 13.6918 13.6918 14.9042 14.9042 15.0959 15.0959 k = 0.3434 0.5599-0.0000 ( 3003 PWs) bands (ev): -42.8809 -42.8809 -42.8780 -42.8780 -20.5603 -20.5603 -20.5548 -20.5548 -18.6320 -18.6320 -18.5306 -18.5306 -18.3910 -18.3910 -18.2995 -18.2995 0.3900 0.3900 0.4195 0.4195 1.6667 1.6667 7.2395 7.2395 7.3747 7.3747 7.6113 7.6113 7.9506 7.9506 8.7737 8.7737 8.8743 8.8743 8.9142 8.9142 9.5186 9.5186 9.6736 9.6736 13.0489 13.0489 13.4671 13.4671 13.6306 13.6306 14.9332 14.9332 15.0727 15.0727 k = 0.3384 0.5686-0.0000 ( 2999 PWs) bands (ev): -42.8801 -42.8801 -42.8786 -42.8786 -20.5595 -20.5595 -20.5558 -20.5558 -18.6323 -18.6323 -18.5305 -18.5305 -18.3909 -18.3909 -18.3001 -18.3001 0.3933 0.3933 0.4204 0.4204 1.6661 1.6661 7.2792 7.2792 7.3651 7.3651 7.5835 7.5835 7.9413 7.9413 8.7969 8.7969 8.8615 8.8615 8.9058 8.9058 9.5536 9.5536 9.6319 9.6319 13.0965 13.0965 13.4708 13.4708 13.5718 13.5718 14.9589 14.9589 15.0508 15.0508 k = 0.3333 0.5774-0.0000 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3945 0.3945 0.4206 0.4206 1.6660 1.6660 7.3005 7.3005 7.3531 7.3531 7.5751 7.5751 7.9381 7.9381 8.8065 8.8065 8.8560 8.8560 8.9025 8.9025 9.5824 9.5824 9.6009 9.6009 13.1120 13.1120 13.4984 13.4984 13.5262 13.5262 14.9716 14.9716 15.0393 15.0393 k = 0.3333 0.5774-0.0000 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3945 0.3945 0.4206 0.4206 1.6660 1.6660 7.3005 7.3005 7.3531 7.3531 7.5751 7.5751 7.9381 7.9381 8.8065 8.8065 8.8560 8.8560 8.9025 8.9025 9.5824 9.5824 9.6009 9.6009 13.1120 13.1120 13.4984 13.4984 13.5262 13.5262 14.9716 14.9716 15.0393 15.0393 k = 0.3282 0.5685-0.0000 ( 2995 PWs) bands (ev): -42.8800 -42.8800 -42.8786 -42.8786 -20.5596 -20.5596 -20.5558 -20.5558 -18.6323 -18.6323 -18.5304 -18.5304 -18.3909 -18.3909 -18.3001 -18.3001 0.3931 0.3931 0.4205 0.4205 1.6661 1.6661 7.2775 7.2775 7.3688 7.3688 7.5814 7.5814 7.9415 7.9415 8.7985 8.7985 8.8591 8.8591 8.9066 8.9066 9.5542 9.5542 9.6314 9.6314 13.1001 13.1001 13.4547 13.4547 13.5845 13.5845 14.9578 14.9578 15.0517 15.0517 k = 0.3231 0.5596-0.0000 ( 3001 PWs) bands (ev): -42.8809 -42.8809 -42.8779 -42.8779 -20.5605 -20.5605 -20.5546 -20.5546 -18.6319 -18.6319 -18.5305 -18.5305 -18.3910 -18.3910 -18.2994 -18.2994 0.3890 0.3890 0.4203 0.4203 1.6663 1.6663 7.2358 7.2358 7.3928 7.3928 7.5960 7.5960 7.9519 7.9519 8.7819 8.7819 8.8621 8.8621 8.9182 8.9182 9.5222 9.5222 9.6703 9.6703 13.0725 13.0725 13.4019 13.4019 13.6725 13.6725 14.9285 14.9285 15.0768 15.0768 k = 0.3179 0.5507-0.0000 ( 3001 PWs) bands (ev): -42.8817 -42.8817 -42.8773 -42.8773 -20.5615 -20.5615 -20.5531 -20.5531 -18.6313 -18.6313 -18.5306 -18.5306 -18.3911 -18.3911 -18.2983 -18.2983 0.3822 0.3822 0.4198 0.4198 1.6665 1.6665 7.1914 7.1914 7.4136 7.4136 7.6148 7.6148 7.9686 7.9686 8.7626 8.7626 8.8633 8.8633 8.9332 8.9332 9.4935 9.4935 9.7101 9.7101 13.0379 13.0379 13.3513 13.3513 13.7705 13.7705 14.8935 14.8935 15.1046 15.1046 k = 0.3128 0.5418-0.0000 ( 3009 PWs) bands (ev): -42.8827 -42.8827 -42.8767 -42.8767 -20.5625 -20.5625 -20.5514 -20.5514 -18.6304 -18.6304 -18.5307 -18.5307 -18.3912 -18.3912 -18.2968 -18.2968 0.3731 0.3731 0.4187 0.4187 1.6664 1.6664 7.1485 7.1485 7.4299 7.4299 7.6354 7.6354 7.9908 7.9908 8.7426 8.7426 8.8643 8.8643 8.9490 8.9490 9.4683 9.4683 9.7505 9.7505 13.0005 13.0005 13.3032 13.3032 13.8733 13.8733 14.8553 14.8553 15.1326 15.1326 k = 0.3077 0.5329-0.0000 ( 3013 PWs) bands (ev): -42.8837 -42.8837 -42.8762 -42.8762 -20.5635 -20.5635 -20.5495 -20.5495 -18.6293 -18.6293 -18.5308 -18.5308 -18.3913 -18.3913 -18.2949 -18.2949 0.3619 0.3619 0.4167 0.4167 1.6658 1.6658 7.1087 7.1087 7.4424 7.4424 7.6565 7.6565 8.0168 8.0168 8.7229 8.7229 8.8657 8.8657 8.9649 8.9649 9.4463 9.4463 9.7911 9.7911 12.9628 12.9628 13.2579 13.2579 13.9778 13.9778 14.8151 14.8151 15.1598 15.1598 k = 0.3026 0.5241-0.0000 ( 3013 PWs) bands (ev): -42.8847 -42.8847 -42.8757 -42.8757 -20.5644 -20.5644 -20.5475 -20.5475 -18.6279 -18.6279 -18.5308 -18.5308 -18.3915 -18.3915 -18.2926 -18.2926 0.3489 0.3489 0.4137 0.4137 1.6646 1.6646 7.0731 7.0731 7.4521 7.4521 7.6771 7.6771 8.0452 8.0452 8.7042 8.7042 8.8676 8.8676 8.9814 8.9814 9.4273 9.4273 9.8317 9.8317 12.9258 12.9258 13.2152 13.2152 14.0824 14.0824 14.7734 14.7734 15.1860 15.1860 k = 0.2974 0.5152-0.0000 ( 3007 PWs) bands (ev): -42.8857 -42.8857 -42.8751 -42.8751 -20.5652 -20.5652 -20.5452 -20.5452 -18.6262 -18.6262 -18.5308 -18.5308 -18.3915 -18.3915 -18.2901 -18.2901 0.3342 0.3342 0.4096 0.4096 1.6627 1.6627 7.0422 7.0422 7.4599 7.4599 7.6964 7.6964 8.0743 8.0743 8.6871 8.6871 8.8699 8.8699 8.9993 8.9993 9.4106 9.4106 9.8723 9.8723 12.8902 12.8902 13.1752 13.1752 14.1853 14.1853 14.7309 14.7309 15.2110 15.2110 k = 0.2923 0.5063-0.0000 ( 3003 PWs) bands (ev): -42.8867 -42.8867 -42.8746 -42.8746 -20.5659 -20.5659 -20.5428 -20.5428 -18.6243 -18.6243 -18.5306 -18.5306 -18.3915 -18.3915 -18.2872 -18.2872 0.3179 0.3179 0.4042 0.4042 1.6598 1.6598 7.0164 7.0164 7.4668 7.4668 7.7138 7.7138 8.1028 8.1028 8.6724 8.6724 8.8726 8.8726 9.0193 9.0193 9.3958 9.3958 9.9125 9.9125 12.8564 12.8564 13.1376 13.1376 14.2851 14.2851 14.6881 14.6881 15.2347 15.2347 k = 0.2872 0.4974-0.0000 ( 3003 PWs) bands (ev): -42.8879 -42.8879 -42.8742 -42.8742 -20.5666 -20.5666 -20.5402 -20.5402 -18.6221 -18.6221 -18.5304 -18.5304 -18.3914 -18.3914 -18.2841 -18.2841 0.3001 0.3001 0.3976 0.3976 1.6558 1.6558 6.9959 6.9959 7.4734 7.4734 7.7285 7.7285 8.1295 8.1295 8.6607 8.6607 8.8755 8.8755 9.0421 9.0421 9.3827 9.3827 9.9524 9.9524 12.8247 12.8247 13.1022 13.1022 14.3794 14.3794 14.6468 14.6468 15.2572 15.2572 k = 0.2821 0.4885-0.0000 ( 2995 PWs) bands (ev): -42.8890 -42.8890 -42.8737 -42.8737 -20.5671 -20.5671 -20.5374 -20.5374 -18.6197 -18.6197 -18.5301 -18.5301 -18.3912 -18.3912 -18.2808 -18.2808 0.2808 0.2808 0.3897 0.3897 1.6508 1.6508 6.9811 6.9811 7.4802 7.4802 7.7402 7.7402 8.1537 8.1537 8.6526 8.6526 8.8783 8.8783 9.0682 9.0682 9.3713 9.3713 9.9916 9.9916 12.7952 12.7952 13.0687 13.0687 14.4619 14.4619 14.6123 14.6123 15.2787 15.2787 k = 0.2769 0.4796-0.0000 ( 2995 PWs) bands (ev): -42.8904 -42.8904 -42.8734 -42.8734 -20.5675 -20.5675 -20.5344 -20.5344 -18.6170 -18.6170 -18.5296 -18.5296 -18.3909 -18.3909 -18.2773 -18.2773 0.2602 0.2602 0.3805 0.3805 1.6446 1.6446 6.9718 6.9718 7.4877 7.4877 7.7483 7.7483 8.1751 8.1751 8.6488 8.6488 8.8804 8.8804 9.0977 9.0977 9.3620 9.3620 10.0301 10.0301 12.7678 12.7678 13.0368 13.0368 14.5037 14.5037 14.6130 14.6130 15.2993 15.2993 k = 0.2718 0.4708-0.0000 ( 2999 PWs) bands (ev): -42.8918 -42.8918 -42.8731 -42.8731 -20.5678 -20.5678 -20.5312 -20.5312 -18.6141 -18.6141 -18.5290 -18.5290 -18.3904 -18.3904 -18.2737 -18.2737 0.2381 0.2381 0.3700 0.3700 1.6372 1.6372 6.9681 6.9681 7.4961 7.4961 7.7526 7.7526 8.1934 8.1934 8.6497 8.6497 8.8810 8.8810 9.1306 9.1306 9.3556 9.3556 10.0677 10.0677 12.7427 12.7427 13.0061 13.0061 14.4836 14.4836 14.6690 14.6690 15.3192 15.3192 k = 0.2667 0.4619-0.0000 ( 3003 PWs) bands (ev): -42.8932 -42.8932 -42.8729 -42.8729 -20.5680 -20.5680 -20.5278 -20.5278 -18.6110 -18.6110 -18.5282 -18.5282 -18.3898 -18.3898 -18.2700 -18.2700 0.2148 0.2148 0.3582 0.3582 1.6286 1.6286 6.9699 6.9699 7.5056 7.5056 7.7530 7.7530 8.2089 8.2089 8.6555 8.6555 8.8791 8.8791 9.1664 9.1664 9.3532 9.3532 10.1043 10.1043 12.7196 12.7196 12.9764 12.9764 14.4462 14.4462 14.7353 14.7353 15.3386 15.3386 k = 0.2615 0.4530-0.0000 ( 3003 PWs) bands (ev): -42.8946 -42.8946 -42.8727 -42.8727 -20.5681 -20.5681 -20.5242 -20.5242 -18.6077 -18.6077 -18.5271 -18.5271 -18.3890 -18.3890 -18.2662 -18.2662 0.1901 0.1901 0.3450 0.3450 1.6189 1.6189 6.9769 6.9769 7.5162 7.5162 7.7498 7.7498 8.2220 8.2220 8.6663 8.6663 8.8734 8.8734 9.2042 9.2042 9.3564 9.3564 10.1397 10.1397 12.6985 12.6985 12.9472 12.9472 14.4061 14.4061 14.7966 14.7966 15.3575 15.3575 k = 0.2564 0.4441-0.0000 ( 2999 PWs) bands (ev): -42.8960 -42.8960 -42.8725 -42.8725 -20.5680 -20.5680 -20.5203 -20.5203 -18.6043 -18.6043 -18.5258 -18.5258 -18.3880 -18.3880 -18.2623 -18.2623 0.1640 0.1640 0.3306 0.3306 1.6082 1.6082 6.9890 6.9890 7.5280 7.5280 7.7435 7.7435 8.2332 8.2332 8.6821 8.6821 8.8629 8.8629 9.2429 9.2429 9.3671 9.3671 10.1739 10.1739 12.6791 12.6791 12.9185 12.9185 14.3662 14.3662 14.8496 14.8496 15.3759 15.3759 k = 0.2513 0.4352-0.0000 ( 3003 PWs) bands (ev): -42.8976 -42.8976 -42.8724 -42.8724 -20.5678 -20.5678 -20.5163 -20.5163 -18.6007 -18.6007 -18.5243 -18.5243 -18.3868 -18.3868 -18.2583 -18.2583 0.1367 0.1367 0.3149 0.3149 1.5965 1.5965 7.0056 7.0056 7.5409 7.5409 7.7346 7.7346 8.2431 8.2431 8.7025 8.7025 8.8469 8.8469 9.2811 9.2811 9.3869 9.3869 10.2067 10.2067 12.6613 12.6613 12.8898 12.8898 14.3275 14.3275 14.8928 14.8928 15.3937 15.3937 k = 0.2462 0.4264-0.0000 ( 3007 PWs) bands (ev): -42.8993 -42.8993 -42.8724 -42.8724 -20.5675 -20.5675 -20.5122 -20.5122 -18.5970 -18.5970 -18.5224 -18.5224 -18.3853 -18.3853 -18.2543 -18.2543 0.1081 0.1081 0.2980 0.2980 1.5840 1.5840 7.0261 7.0261 7.5548 7.5548 7.7243 7.7243 8.2522 8.2522 8.7270 8.7270 8.8253 8.8253 9.3177 9.3177 9.4166 9.4166 10.2380 10.2380 12.6448 12.6448 12.8611 12.8611 14.2908 14.2908 14.9257 14.9257 15.4105 15.4105 k = 0.2410 0.4175-0.0000 ( 2997 PWs) bands (ev): -42.9009 -42.9009 -42.8722 -42.8722 -20.5670 -20.5670 -20.5078 -20.5078 -18.5933 -18.5933 -18.5202 -18.5202 -18.3836 -18.3836 -18.2503 -18.2503 0.0781 0.0781 0.2800 0.2800 1.5708 1.5708 7.0497 7.0497 7.5696 7.5696 7.7137 7.7137 8.2610 8.2610 8.7549 8.7549 8.7987 8.7987 9.3534 9.3534 9.4550 9.4550 10.2677 10.2677 12.6292 12.6292 12.8324 12.8324 14.2564 14.2564 14.9480 14.9480 15.4256 15.4256 k = 0.2359 0.4086-0.0000 ( 2997 PWs) bands (ev): -42.9026 -42.9026 -42.8722 -42.8722 -20.5664 -20.5664 -20.5032 -20.5032 -18.5897 -18.5897 -18.5176 -18.5176 -18.3817 -18.3817 -18.2464 -18.2464 0.0468 0.0468 0.2607 0.2607 1.5571 1.5571 7.0754 7.0754 7.5851 7.5851 7.7043 7.7043 8.2698 8.2698 8.7639 8.7639 8.7896 8.7896 9.3899 9.3899 9.4996 9.4996 10.2958 10.2958 12.6143 12.6143 12.8036 12.8036 14.2248 14.2248 14.9598 14.9598 15.4377 15.4377 k = 0.2308 0.3997-0.0000 ( 2997 PWs) bands (ev): -42.9043 -42.9043 -42.8723 -42.8723 -20.5657 -20.5657 -20.4984 -20.4984 -18.5860 -18.5860 -18.5146 -18.5146 -18.3796 -18.3796 -18.2424 -18.2424 0.0142 0.0142 0.2404 0.2404 1.5431 1.5431 7.1017 7.1017 7.6013 7.6013 7.6979 7.6979 8.2789 8.2789 8.7296 8.7296 8.8229 8.8229 9.4285 9.4285 9.5479 9.5479 10.3221 10.3221 12.5996 12.5996 12.7750 12.7750 14.1964 14.1964 14.9615 14.9615 15.4450 15.4450 k = 0.2256 0.3908-0.0000 ( 2989 PWs) bands (ev): -42.9061 -42.9061 -42.8723 -42.8723 -20.5648 -20.5648 -20.4935 -20.4935 -18.5825 -18.5825 -18.5111 -18.5111 -18.3771 -18.3771 -18.2384 -18.2384 -0.0197 -0.0197 0.2190 0.2190 1.5288 1.5288 7.1269 7.1269 7.6178 7.6178 7.6965 7.6965 8.2881 8.2881 8.6917 8.6917 8.8597 8.8597 9.4697 9.4697 9.5986 9.5986 10.3467 10.3467 12.5849 12.5849 12.7466 12.7466 14.1714 14.1714 14.9536 14.9536 15.4451 15.4451 k = 0.2205 0.3819-0.0000 ( 2993 PWs) bands (ev): -42.9080 -42.9080 -42.8725 -42.8725 -20.5639 -20.5639 -20.4884 -20.4884 -18.5791 -18.5791 -18.5072 -18.5072 -18.3744 -18.3744 -18.2345 -18.2345 -0.0548 -0.0548 0.1967 0.1967 1.5144 1.5144 7.1491 7.1491 7.6345 7.6345 7.7022 7.7022 8.2972 8.2972 8.6525 8.6525 8.8987 8.8987 9.5137 9.5137 9.6506 9.6506 10.3695 10.3695 12.5696 12.5696 12.7188 12.7188 14.1501 14.1501 14.9369 14.9369 15.4359 15.4359 k = 0.2154 0.3731-0.0000 ( 2997 PWs) bands (ev): -42.9099 -42.9099 -42.8727 -42.8727 -20.5628 -20.5628 -20.4831 -20.4831 -18.5759 -18.5759 -18.5028 -18.5028 -18.3715 -18.3715 -18.2307 -18.2307 -0.0913 -0.0913 0.1734 0.1734 1.5001 1.5001 7.1663 7.1663 7.6510 7.6510 7.7170 7.7170 8.3054 8.3054 8.6138 8.6138 8.9393 8.9393 9.5602 9.5602 9.7035 9.7035 10.3906 10.3906 12.5536 12.5536 12.6919 12.6919 14.1326 14.1326 14.9124 14.9124 15.4179 15.4179 k = 0.2103 0.3642-0.0000 ( 3001 PWs) bands (ev): -42.9118 -42.9118 -42.8730 -42.8730 -20.5616 -20.5616 -20.4777 -20.4777 -18.5728 -18.5728 -18.4979 -18.4979 -18.3682 -18.3682 -18.2269 -18.2269 -0.1290 -0.1290 0.1493 0.1493 1.4861 1.4861 7.1773 7.1773 7.6667 7.6667 7.7427 7.7427 8.3114 8.3114 8.5782 8.5782 8.9811 8.9811 9.6086 9.6086 9.7573 9.7573 10.4100 10.4100 12.5364 12.5364 12.6664 12.6664 14.1189 14.1189 14.8810 14.8810 15.3928 15.3928 k = 0.2051 0.3553-0.0000 ( 3001 PWs) bands (ev): -42.9137 -42.9137 -42.8734 -42.8734 -20.5603 -20.5603 -20.4721 -20.4721 -18.5700 -18.5700 -18.4925 -18.4925 -18.3647 -18.3647 -18.2232 -18.2232 -0.1678 -0.1678 0.1244 0.1244 1.4723 1.4723 7.1815 7.1815 7.6809 7.6809 7.7797 7.7797 8.3130 8.3130 8.5487 8.5487 9.0239 9.0239 9.6582 9.6582 9.8119 9.8119 10.4277 10.4277 12.5178 12.5178 12.6425 12.6425 14.1091 14.1091 14.8440 14.8440 15.3628 15.3628 k = 0.2000 0.3464-0.0000 ( 2999 PWs) bands (ev): -42.9156 -42.9156 -42.8737 -42.8737 -20.5589 -20.5589 -20.4664 -20.4664 -18.5674 -18.5674 -18.4866 -18.4866 -18.3609 -18.3609 -18.2195 -18.2195 -0.2078 -0.2078 0.0987 0.0987 1.4590 1.4590 7.1797 7.1797 7.6928 7.6928 7.8276 7.8276 8.3077 8.3077 8.5289 8.5289 9.0673 9.0673 9.7084 9.7084 9.8678 9.8678 10.4439 10.4439 12.4976 12.4976 12.6206 12.6206 14.1028 14.1028 14.8024 14.8024 15.3293 15.3293 k = 0.1949 0.3375-0.0000 ( 3007 PWs) bands (ev): -42.9177 -42.9177 -42.8741 -42.8741 -20.5574 -20.5574 -20.4607 -20.4607 -18.5649 -18.5649 -18.4803 -18.4803 -18.3569 -18.3569 -18.2160 -18.2160 -0.2488 -0.2488 0.0724 0.0724 1.4461 1.4461 7.1730 7.1730 7.7012 7.7012 7.8851 7.8851 8.2945 8.2945 8.5212 8.5212 9.1110 9.1110 9.7583 9.7583 9.9256 9.9256 10.4587 10.4587 12.4757 12.4757 12.6012 12.6012 14.0994 14.0994 14.7576 14.7576 15.2934 15.2934 k = 0.1897 0.3286-0.0000 ( 2997 PWs) bands (ev): -42.9196 -42.9196 -42.8744 -42.8744 -20.5559 -20.5559 -20.4547 -20.4547 -18.5627 -18.5627 -18.4735 -18.4735 -18.3525 -18.3525 -18.2125 -18.2125 -0.2908 -0.2908 0.0456 0.0456 1.4339 1.4339 7.1627 7.1627 7.7049 7.7049 7.9509 7.9509 8.2757 8.2757 8.5247 8.5247 9.1548 9.1548 9.8070 9.8070 9.9857 9.9857 10.4724 10.4724 12.4521 12.4521 12.5846 12.5846 14.0980 14.0980 14.7114 14.7114 15.2557 15.2557 k = 0.1846 0.3198-0.0000 ( 2993 PWs) bands (ev): -42.9215 -42.9215 -42.8749 -42.8749 -20.5542 -20.5542 -20.4487 -20.4487 -18.5606 -18.5606 -18.4664 -18.4664 -18.3479 -18.3479 -18.2092 -18.2092 -0.3336 -0.3336 0.0182 0.0182 1.4222 1.4222 7.1502 7.1502 7.7026 7.7026 8.0234 8.0234 8.2552 8.2552 8.5369 8.5369 9.1983 9.1983 9.8541 9.8541 10.0486 10.0486 10.4852 10.4852 12.4266 12.4266 12.5710 12.5710 14.0973 14.0973 14.6655 14.6655 15.2166 15.2166 k = 0.1795 0.3109-0.0000 ( 2999 PWs) bands (ev): -42.9236 -42.9236 -42.8754 -42.8754 -20.5525 -20.5525 -20.4427 -20.4427 -18.5587 -18.5587 -18.4590 -18.4590 -18.3430 -18.3430 -18.2059 -18.2059 -0.3772 -0.3772 -0.0096 -0.0096 1.4112 1.4112 7.1365 7.1365 7.6927 7.6927 8.1014 8.1014 8.2371 8.2371 8.5552 8.5552 9.2413 9.2413 9.8992 9.8992 10.1145 10.1145 10.4973 10.4973 12.3995 12.3995 12.5607 12.5607 14.0954 14.0954 14.6222 14.6222 15.1765 15.1765 k = 0.1744 0.3020-0.0000 ( 3003 PWs) bands (ev): -42.9257 -42.9257 -42.8760 -42.8760 -20.5507 -20.5507 -20.4366 -20.4366 -18.5570 -18.5570 -18.4512 -18.4512 -18.3378 -18.3378 -18.2028 -18.2028 -0.4214 -0.4214 -0.0377 -0.0377 1.4008 1.4008 7.1226 7.1226 7.6745 7.6745 8.1834 8.1834 8.2243 8.2243 8.5779 8.5779 9.2835 9.2835 9.9423 9.9423 10.1834 10.1834 10.5090 10.5090 12.3708 12.3708 12.5537 12.5537 14.0898 14.0898 14.5842 14.5842 15.1356 15.1356 k = 0.1692 0.2931-0.0000 ( 2999 PWs) bands (ev): -42.9277 -42.9277 -42.8765 -42.8765 -20.5488 -20.5488 -20.4304 -20.4304 -18.5553 -18.5553 -18.4432 -18.4432 -18.3323 -18.3323 -18.1998 -18.1998 -0.4662 -0.4662 -0.0661 -0.0661 1.3910 1.3910 7.1091 7.1091 7.6478 7.6478 8.2158 8.2158 8.2705 8.2705 8.6040 8.6040 9.3249 9.3249 9.9838 9.9838 10.2549 10.2549 10.5209 10.5209 12.3409 12.3409 12.5501 12.5501 14.0776 14.0776 14.5544 14.5544 15.0939 15.0939 k = 0.1641 0.2842-0.0000 ( 2991 PWs) bands (ev): -42.9296 -42.9296 -42.8770 -42.8770 -20.5470 -20.5470 -20.4242 -20.4242 -18.5538 -18.5538 -18.4350 -18.4350 -18.3266 -18.3266 -18.1968 -18.1968 -0.5113 -0.5113 -0.0947 -0.0947 1.3819 1.3819 7.0966 7.0966 7.6131 7.6131 8.2147 8.2147 8.3584 8.3584 8.6329 8.6329 9.3652 9.3652 10.0242 10.0242 10.3284 10.3284 10.5335 10.5335 12.3099 12.3099 12.5500 12.5500 14.0565 14.0565 14.5350 14.5350 15.0512 15.0512 k = 0.1590 0.2754-0.0000 ( 2993 PWs) bands (ev): -42.9316 -42.9316 -42.8776 -42.8776 -20.5450 -20.5450 -20.4180 -20.4180 -18.5524 -18.5524 -18.4266 -18.4266 -18.3207 -18.3207 -18.1941 -18.1941 -0.5567 -0.5567 -0.1234 -0.1234 1.3734 1.3734 7.0856 7.0856 7.5717 7.5717 8.2181 8.2181 8.4479 8.4479 8.6646 8.6646 9.4045 9.4045 10.0640 10.0640 10.4029 10.4029 10.5478 10.5478 12.2782 12.2782 12.5531 12.5531 14.0254 14.0254 14.5265 14.5265 15.0067 15.0067 k = 0.1538 0.2665-0.0000 ( 2993 PWs) bands (ev): -42.9336 -42.9336 -42.8782 -42.8782 -20.5431 -20.5431 -20.4118 -20.4118 -18.5510 -18.5510 -18.4180 -18.4180 -18.3145 -18.3145 -18.1914 -18.1914 -0.6023 -0.6023 -0.1521 -0.1521 1.3654 1.3654 7.0764 7.0764 7.5250 7.5250 8.2247 8.2247 8.5376 8.5376 8.6989 8.6989 9.4429 9.4429 10.1039 10.1039 10.4750 10.4750 10.5670 10.5670 12.2460 12.2460 12.5594 12.5594 13.9849 13.9849 14.5275 14.5275 14.9582 14.9582 k = 0.1487 0.2576-0.0000 ( 3001 PWs) bands (ev): -42.9357 -42.9357 -42.8790 -42.8790 -20.5411 -20.5411 -20.4056 -20.4056 -18.5498 -18.5498 -18.4093 -18.4093 -18.3082 -18.3082 -18.1889 -18.1889 -0.6478 -0.6478 -0.1808 -0.1808 1.3580 1.3580 7.0693 7.0693 7.4743 7.4743 8.2330 8.2330 8.6260 8.6260 8.7363 8.7363 9.4810 9.4810 10.1442 10.1442 10.5332 10.5332 10.6026 10.6026 12.2137 12.2137 12.5685 12.5685 13.9368 13.9368 14.5341 14.5341 14.9050 14.9050 k = 0.1436 0.2487-0.0000 ( 3001 PWs) bands (ev): -42.9377 -42.9377 -42.8796 -42.8796 -20.5392 -20.5392 -20.3995 -20.3995 -18.5486 -18.5486 -18.4006 -18.4006 -18.3016 -18.3016 -18.1865 -18.1865 -0.6932 -0.6932 -0.2093 -0.2093 1.3511 1.3511 7.0645 7.0645 7.4207 7.4207 8.2418 8.2418 8.7114 8.7114 8.7771 8.7771 9.5194 9.5194 10.1857 10.1857 10.5656 10.5656 10.6663 10.6663 12.1818 12.1818 12.5802 12.5802 13.8832 13.8832 14.5410 14.5410 14.8536 14.8536 k = 0.1385 0.2398-0.0000 ( 3001 PWs) bands (ev): -42.9397 -42.9397 -42.8803 -42.8803 -20.5372 -20.5372 -20.3934 -20.3934 -18.5475 -18.5475 -18.3918 -18.3918 -18.2949 -18.2949 -18.1842 -18.1842 -0.7384 -0.7384 -0.2377 -0.2377 1.3446 1.3446 7.0624 7.0624 7.3652 7.3652 8.2499 8.2499 8.7903 8.7903 8.8231 8.8231 9.5594 9.5594 10.2288 10.2288 10.5872 10.5872 10.7427 10.7427 12.1506 12.1506 12.5943 12.5943 13.8259 13.8259 14.5405 14.5405 14.8129 14.8129 k = 0.1333 0.2309-0.0000 ( 2997 PWs) bands (ev): -42.9416 -42.9416 -42.8809 -42.8809 -20.5352 -20.5352 -20.3874 -20.3874 -18.5464 -18.5464 -18.3830 -18.3830 -18.2879 -18.2879 -18.1820 -18.1820 -0.7831 -0.7831 -0.2658 -0.2658 1.3385 1.3385 7.0629 7.0629 7.3086 7.3086 8.2564 8.2564 8.8555 8.8555 8.8794 8.8794 9.6024 9.6024 10.2738 10.2738 10.6071 10.6071 10.8226 10.8226 12.1205 12.1205 12.6102 12.6102 13.7665 13.7665 14.5253 14.5253 14.7867 14.7867 k = 0.1282 0.2221-0.0000 ( 3003 PWs) bands (ev): -42.9436 -42.9436 -42.8816 -42.8816 -20.5333 -20.5333 -20.3815 -20.3815 -18.5454 -18.5454 -18.3742 -18.3742 -18.2809 -18.2809 -18.1801 -18.1801 -0.8273 -0.8273 -0.2935 -0.2935 1.3328 1.3328 7.0663 7.0663 7.2514 7.2514 8.2608 8.2608 8.9098 8.9098 8.9410 8.9410 9.6504 9.6504 10.3210 10.3210 10.6274 10.6274 10.9032 10.9032 12.0920 12.0920 12.6278 12.6278 13.7058 13.7058 14.4936 14.4936 14.7609 14.7609 k = 0.1231 0.2132-0.0000 ( 2991 PWs) bands (ev): -42.9453 -42.9453 -42.8822 -42.8822 -20.5314 -20.5314 -20.3756 -20.3756 -18.5445 -18.5445 -18.3654 -18.3654 -18.2738 -18.2738 -18.1782 -18.1782 -0.8708 -0.8708 -0.3209 -0.3209 1.3275 1.3275 7.0725 7.0725 7.1942 7.1942 8.2628 8.2628 8.9635 8.9635 8.9953 8.9953 9.7050 9.7050 10.3707 10.3707 10.6487 10.6487 10.9835 10.9835 12.0655 12.0655 12.6467 12.6467 13.6449 13.6449 14.4509 14.4509 14.7253 14.7253 k = 0.1179 0.2043-0.0000 ( 2991 PWs) bands (ev): -42.9471 -42.9471 -42.8829 -42.8829 -20.5295 -20.5295 -20.3699 -20.3699 -18.5436 -18.5436 -18.3567 -18.3567 -18.2666 -18.2666 -18.1765 -18.1765 -0.9136 -0.9136 -0.3477 -0.3477 1.3223 1.3223 7.0811 7.0811 7.1381 7.1381 8.2621 8.2621 9.0158 9.0158 9.0417 9.0417 9.7672 9.7672 10.4230 10.4230 10.6712 10.6712 11.0629 11.0629 12.0414 12.0414 12.6664 12.6664 13.5841 13.5841 14.4029 14.4029 14.6860 14.6860 k = 0.1128 0.1954-0.0000 ( 2995 PWs) bands (ev): -42.9489 -42.9489 -42.8837 -42.8837 -20.5277 -20.5277 -20.3644 -20.3644 -18.5427 -18.5427 -18.3481 -18.3481 -18.2593 -18.2593 -18.1749 -18.1749 -0.9555 -0.9555 -0.3740 -0.3740 1.3175 1.3175 7.0749 7.0749 7.1006 7.1006 8.2590 8.2590 9.0528 9.0528 9.0933 9.0933 9.8368 9.8368 10.4778 10.4778 10.6950 10.6950 11.1407 11.1407 12.0202 12.0202 12.6867 12.6867 13.5240 13.5240 14.3537 14.3537 14.6453 14.6453 k = 0.1077 0.1865-0.0000 ( 2995 PWs) bands (ev): -42.9507 -42.9507 -42.8844 -42.8844 -20.5259 -20.5259 -20.3589 -20.3589 -18.5420 -18.5420 -18.3396 -18.3396 -18.2521 -18.2521 -18.1735 -18.1735 -0.9963 -0.9963 -0.3996 -0.3996 1.3128 1.3128 7.0230 7.0230 7.1128 7.1128 8.2534 8.2534 9.0699 9.0699 9.1551 9.1551 9.9127 9.9127 10.5351 10.5351 10.7202 10.7202 11.2163 11.2163 12.0022 12.0022 12.7071 12.7071 13.4648 13.4648 14.3051 14.3051 14.6038 14.6038 k = 0.1026 0.1776-0.0000 ( 2987 PWs) bands (ev): -42.9523 -42.9523 -42.8849 -42.8849 -20.5241 -20.5241 -20.3537 -20.3537 -18.5412 -18.5412 -18.3312 -18.3312 -18.2448 -18.2448 -18.1722 -18.1722 -1.0360 -1.0360 -0.4246 -0.4246 1.3084 1.3084 6.9691 6.9691 7.1314 7.1314 8.2456 8.2456 9.0735 9.0735 9.2219 9.2219 9.9928 9.9928 10.5948 10.5948 10.7474 10.7474 11.2892 11.2892 11.9877 11.9877 12.7274 12.7274 13.4068 13.4068 14.2585 14.2585 14.5616 14.5616 k = 0.0974 0.1688-0.0000 ( 2987 PWs) bands (ev): -42.9539 -42.9539 -42.8856 -42.8856 -20.5224 -20.5224 -20.3486 -20.3486 -18.5405 -18.5405 -18.3230 -18.3230 -18.2377 -18.2377 -18.1710 -18.1710 -1.0745 -1.0745 -0.4487 -0.4487 1.3041 1.3041 6.9164 6.9164 7.1536 7.1536 8.2360 8.2360 9.0664 9.0664 9.2920 9.2920 10.0743 10.0743 10.6564 10.6564 10.7774 10.7774 11.3588 11.3588 11.9768 11.9768 12.7471 12.7471 13.3502 13.3502 14.2145 14.2145 14.5186 14.5186 k = 0.0923 0.1599-0.0000 ( 2983 PWs) bands (ev): -42.9555 -42.9555 -42.8862 -42.8862 -20.5208 -20.5208 -20.3437 -20.3437 -18.5398 -18.5398 -18.3150 -18.3150 -18.2306 -18.2306 -18.1700 -18.1700 -1.1116 -1.1116 -0.4721 -0.4721 1.3000 1.3000 6.8651 6.8651 7.1790 7.1790 8.2248 8.2248 9.0503 9.0503 9.3649 9.3649 10.1546 10.1546 10.7196 10.7196 10.8115 10.8115 11.4245 11.4245 11.9698 11.9698 12.7659 12.7659 13.2949 13.2949 14.1736 14.1736 14.4749 14.4749 k = 0.0872 0.1510-0.0000 ( 2983 PWs) bands (ev): -42.9570 -42.9570 -42.8868 -42.8868 -20.5192 -20.5192 -20.3390 -20.3390 -18.5392 -18.5392 -18.3071 -18.3071 -18.2237 -18.2237 -18.1691 -18.1691 -1.1473 -1.1473 -0.4946 -0.4946 1.2960 1.2960 6.8156 6.8156 7.2077 7.2077 8.2125 8.2125 9.0266 9.0266 9.4402 9.4402 10.2304 10.2304 10.7835 10.7835 10.8517 10.8517 11.4858 11.4858 11.9665 11.9665 12.7832 12.7832 13.2412 13.2412 14.1360 14.1360 14.4305 14.4305 k = 0.0821 0.1421-0.0000 ( 2987 PWs) bands (ev): -42.9585 -42.9585 -42.8875 -42.8875 -20.5177 -20.5177 -20.3345 -20.3345 -18.5386 -18.5386 -18.2995 -18.2995 -18.2170 -18.2170 -18.1684 -18.1684 -1.1815 -1.1815 -0.5161 -0.5161 1.2922 1.2922 6.7681 6.7681 7.2395 7.2395 8.1992 8.1992 8.9963 8.9963 9.5175 9.5175 10.2987 10.2987 10.8475 10.8475 10.9005 10.9005 11.5423 11.5423 11.9668 11.9668 12.7985 12.7985 13.1891 13.1891 14.1020 14.1020 14.3855 14.3855 k = 0.0769 0.1332-0.0000 ( 2987 PWs) bands (ev): -42.9599 -42.9599 -42.8881 -42.8881 -20.5163 -20.5163 -20.3302 -20.3302 -18.5381 -18.5381 -18.2921 -18.2921 -18.2105 -18.2105 -18.1678 -18.1678 -1.2140 -1.2140 -0.5366 -0.5366 1.2885 1.2885 6.7227 6.7227 7.2744 7.2744 8.1853 8.1853 8.9604 8.9604 9.5964 9.5964 10.3571 10.3571 10.9119 10.9119 10.9585 10.9585 11.5935 11.5935 11.9705 11.9705 12.8113 12.8113 13.1385 13.1385 14.0716 14.0716 14.3402 14.3402 k = 0.0718 0.1244-0.0000 ( 2983 PWs) bands (ev): -42.9612 -42.9612 -42.8886 -42.8886 -20.5150 -20.5150 -20.3262 -20.3262 -18.5376 -18.5376 -18.2849 -18.2849 -18.2042 -18.2042 -18.1672 -18.1672 -1.2449 -1.2449 -0.5561 -0.5561 1.2849 1.2849 6.6795 6.6795 7.3123 7.3123 8.1711 8.1711 8.9197 8.9197 9.6764 9.6764 10.4042 10.4042 10.9793 10.9793 11.0237 11.0237 11.6390 11.6390 11.9771 11.9771 12.8210 12.8210 13.0895 13.0895 14.0449 14.0449 14.2949 14.2949 k = 0.0667 0.1155-0.0000 ( 2985 PWs) bands (ev): -42.9624 -42.9624 -42.8892 -42.8892 -20.5137 -20.5137 -20.3224 -20.3224 -18.5371 -18.5371 -18.2781 -18.2781 -18.1984 -18.1984 -18.1668 -18.1668 -1.2740 -1.2740 -0.5744 -0.5744 1.2815 1.2815 6.6387 6.6387 7.3532 7.3532 8.1569 8.1569 8.8747 8.8747 9.7572 9.7572 10.4399 10.4399 11.0516 11.0516 11.0932 11.0932 11.6787 11.6787 11.9862 11.9862 12.8267 12.8267 13.0421 13.0421 14.0219 14.0219 14.2502 14.2502 k = 0.0615 0.1066-0.0000 ( 2985 PWs) bands (ev): -42.9636 -42.9636 -42.8897 -42.8897 -20.5126 -20.5126 -20.3188 -20.3188 -18.5367 -18.5367 -18.2715 -18.2715 -18.1929 -18.1929 -18.1664 -18.1664 -1.3012 -1.3012 -0.5916 -0.5916 1.2783 1.2783 6.6005 6.6005 7.3968 7.3968 8.1429 8.1429 8.8260 8.8260 9.8381 9.8381 10.4656 10.4656 11.1285 11.1285 11.1651 11.1651 11.7122 11.7122 11.9973 11.9973 12.8277 12.8277 12.9964 12.9964 14.0026 14.0026 14.2068 14.2068 k = 0.0564 0.0977-0.0000 ( 2991 PWs) bands (ev): -42.9648 -42.9648 -42.8901 -42.8901 -20.5115 -20.5115 -20.3155 -20.3155 -18.5363 -18.5363 -18.2652 -18.2652 -18.1880 -18.1880 -18.1659 -18.1659 -1.3265 -1.3265 -0.6076 -0.6076 1.2752 1.2752 6.5649 6.5649 7.4430 7.4430 8.1293 8.1293 8.7740 8.7740 9.9185 9.9185 10.4831 10.4831 11.2082 11.2082 11.2384 11.2384 11.7397 11.7397 12.0100 12.0100 12.8233 12.8233 12.9523 12.9523 13.9867 13.9867 14.1653 14.1653 k = 0.0513 0.0888-0.0000 ( 2987 PWs) bands (ev): -42.9657 -42.9657 -42.8905 -42.8905 -20.5105 -20.5105 -20.3125 -20.3125 -18.5359 -18.5359 -18.2593 -18.2593 -18.1838 -18.1838 -18.1653 -18.1653 -1.3498 -1.3498 -0.6224 -0.6224 1.2724 1.2724 6.5321 6.5321 7.4918 7.4918 8.1163 8.1163 8.7192 8.7192 9.9979 9.9979 10.4943 10.4943 11.2884 11.2884 11.3130 11.3130 11.7613 11.7613 12.0238 12.0238 12.8125 12.8125 12.9103 12.9103 13.9740 13.9740 14.1264 14.1264 k = 0.0462 0.0799-0.0000 ( 2983 PWs) bands (ev): -42.9666 -42.9666 -42.8909 -42.8909 -20.5096 -20.5096 -20.3097 -20.3097 -18.5356 -18.5356 -18.2538 -18.2538 -18.1803 -18.1803 -18.1644 -18.1644 -1.3710 -1.3710 -0.6358 -0.6358 1.2697 1.2697 6.5021 6.5021 7.5430 7.5430 8.1041 8.1041 8.6620 8.6620 10.0753 10.0753 10.5009 10.5009 11.3663 11.3663 11.3888 11.3888 11.7771 11.7771 12.0383 12.0383 12.7949 12.7949 12.8705 12.8705 13.9644 13.9644 14.0909 14.0909 k = 0.0410 0.0711-0.0000 ( 2989 PWs) bands (ev): -42.9675 -42.9675 -42.8913 -42.8913 -20.5088 -20.5088 -20.3072 -20.3072 -18.5353 -18.5353 -18.2486 -18.2486 -18.1779 -18.1779 -18.1631 -18.1631 -1.3902 -1.3902 -0.6480 -0.6480 1.2673 1.2673 6.4751 6.4751 7.5965 7.5965 8.0928 8.0928 8.6028 8.6028 10.1500 10.1500 10.5042 10.5042 11.4401 11.4401 11.4650 11.4650 11.7878 11.7878 12.0532 12.0532 12.7702 12.7702 12.8333 12.8333 13.9574 13.9574 14.0592 14.0592 k = 0.0359 0.0622-0.0000 ( 2985 PWs) bands (ev): -42.9681 -42.9681 -42.8916 -42.8916 -20.5081 -20.5081 -20.3050 -20.3050 -18.5351 -18.5351 -18.2439 -18.2439 -18.1764 -18.1764 -18.1612 -18.1612 -1.4072 -1.4072 -0.6588 -0.6588 1.2651 1.2651 6.4510 6.4510 7.6519 7.6519 8.0825 8.0825 8.5418 8.5418 10.2208 10.2208 10.5052 10.5052 11.5097 11.5097 11.5392 11.5392 11.7939 11.7939 12.0685 12.0685 12.7394 12.7394 12.7983 12.7983 13.9528 13.9528 14.0317 14.0317 k = 0.0308 0.0533-0.0000 ( 2989 PWs) bands (ev): -42.9688 -42.9688 -42.8919 -42.8919 -20.5074 -20.5074 -20.3031 -20.3031 -18.5348 -18.5348 -18.2396 -18.2396 -18.1758 -18.1758 -18.1591 -18.1591 -1.4220 -1.4220 -0.6682 -0.6682 1.2631 1.2631 6.4300 6.4300 7.7092 7.7092 8.0735 8.0735 8.4794 8.4794 10.2866 10.2866 10.5049 10.5049 11.5745 11.5745 11.6088 11.6088 11.7966 11.7966 12.0840 12.0840 12.7049 12.7049 12.7644 12.7644 13.9499 13.9499 14.0085 14.0085 k = 0.0256 0.0444-0.0000 ( 2993 PWs) bands (ev): -42.9694 -42.9694 -42.8922 -42.8922 -20.5069 -20.5069 -20.3015 -20.3015 -18.5347 -18.5347 -18.2359 -18.2359 -18.1756 -18.1756 -18.1571 -18.1571 -1.4347 -1.4347 -0.6762 -0.6762 1.2615 1.2615 6.4122 6.4122 7.7682 7.7682 8.0657 8.0657 8.4160 8.4160 10.3459 10.3459 10.5037 10.5037 11.6331 11.6331 11.6716 11.6716 11.7976 11.7976 12.0997 12.0997 12.6689 12.6689 12.7313 12.7313 13.9486 13.9486 13.9896 13.9896 k = 0.0205 0.0355-0.0000 ( 3001 PWs) bands (ev): -42.9699 -42.9699 -42.8925 -42.8925 -20.5065 -20.5065 -20.3001 -20.3001 -18.5345 -18.5345 -18.2327 -18.2327 -18.1758 -18.1758 -18.1552 -18.1552 -1.4450 -1.4450 -0.6828 -0.6828 1.2601 1.2601 6.3975 6.3975 7.8284 7.8284 8.0592 8.0592 8.3519 8.3519 10.3973 10.3973 10.5024 10.5024 11.6826 11.6826 11.7256 11.7256 11.7995 11.7995 12.1154 12.1154 12.6336 12.6336 12.6998 12.6998 13.9481 13.9481 13.9747 13.9747 k = 0.0154 0.0266-0.0000 ( 2997 PWs) bands (ev): -42.9702 -42.9702 -42.8926 -42.8926 -20.5061 -20.5061 -20.2991 -20.2991 -18.5344 -18.5344 -18.2301 -18.2301 -18.1760 -18.1760 -18.1536 -18.1536 -1.4531 -1.4531 -0.6879 -0.6879 1.2590 1.2590 6.3860 6.3860 7.8895 7.8895 8.0542 8.0542 8.2876 8.2876 10.4392 10.4392 10.5012 10.5012 11.7183 11.7183 11.7679 11.7679 11.8074 11.8074 12.1306 12.1306 12.6013 12.6013 12.6715 12.6715 13.9483 13.9483 13.9636 13.9636 k = 0.0103 0.0178-0.0000 ( 2995 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5059 -20.5059 -20.2983 -20.2983 -18.5343 -18.5343 -18.2282 -18.2282 -18.1763 -18.1763 -18.1525 -18.1525 -1.4589 -1.4589 -0.6916 -0.6916 1.2582 1.2582 6.3778 6.3778 7.9506 7.9506 8.0508 8.0508 8.2240 8.2240 10.4695 10.4695 10.5012 10.5012 11.7367 11.7367 11.7964 11.7964 11.8245 11.8245 12.1440 12.1440 12.5747 12.5747 12.6486 12.6486 13.9484 13.9484 13.9561 13.9561 k = 0.0051 0.0089-0.0000 ( 2987 PWs) bands (ev): -42.9705 -42.9705 -42.8927 -42.8927 -20.5058 -20.5058 -20.2979 -20.2979 -18.5343 -18.5343 -18.2270 -18.2270 -18.1765 -18.1765 -18.1518 -18.1518 -1.4624 -1.4624 -0.6938 -0.6938 1.2577 1.2577 6.3729 6.3729 8.0080 8.0080 8.0504 8.0504 8.1635 8.1635 10.4857 10.4857 10.5036 10.5036 11.7429 11.7429 11.8131 11.8131 11.8411 11.8411 12.1535 12.1535 12.5569 12.5569 12.6336 12.6336 13.9480 13.9480 13.9524 13.9524 k = 0.0000 0.0000 0.0000 ( 2999 PWs) bands (ev): -42.9707 -42.9707 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5343 -18.5343 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4635 -1.4635 -0.6946 -0.6946 1.2576 1.2576 6.3712 6.3712 8.0353 8.0353 8.0591 8.0591 8.1263 8.1263 10.4895 10.4895 10.5061 10.5061 11.7442 11.7442 11.8188 11.8188 11.8475 11.8475 12.1570 12.1570 12.5506 12.5506 12.6283 12.6283 13.9475 13.9475 13.9516 13.9516 k = 0.0000 0.0000 0.0000 ( 2999 PWs) bands (ev): -42.9707 -42.9707 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5343 -18.5343 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4635 -1.4635 -0.6946 -0.6946 1.2576 1.2576 6.3712 6.3712 8.0353 8.0353 8.0591 8.0591 8.1263 8.1263 10.4895 10.4895 10.5061 10.5061 11.7442 11.7442 11.8188 11.8188 11.8475 11.8475 12.1570 12.1570 12.5506 12.5506 12.6283 12.6283 13.9475 13.9475 13.9516 13.9516 k = 0.0000 0.0000 0.0101 ( 2981 PWs) bands (ev): -42.9705 -42.9705 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1765 -18.1765 -18.1515 -18.1515 -1.4625 -1.4625 -0.6964 -0.6964 1.2590 1.2590 6.3669 6.3669 8.0353 8.0353 8.0591 8.0591 8.1338 8.1338 10.4898 10.4898 10.5065 10.5065 11.7225 11.7225 11.8214 11.8214 11.8477 11.8477 12.1717 12.1717 12.5497 12.5497 12.6274 12.6274 13.9475 13.9475 13.9516 13.9516 k = 0.0000 0.0000 0.0201 ( 2981 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1765 -18.1765 -18.1515 -18.1515 -1.4596 -1.4596 -0.7021 -0.7021 1.2632 1.2632 6.3539 6.3539 8.0352 8.0352 8.0590 8.0590 8.1558 8.1558 10.4907 10.4907 10.5074 10.5074 11.6680 11.6680 11.8248 11.8248 11.8480 11.8480 12.2096 12.2096 12.5471 12.5471 12.6246 12.6246 13.9475 13.9475 13.9516 13.9516 k = 0.0000 0.0000 0.0302 ( 2981 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4547 -1.4547 -0.7113 -0.7113 1.2702 1.2702 6.3333 6.3333 8.0350 8.0350 8.0588 8.0588 8.1917 8.1917 10.4921 10.4921 10.5091 10.5091 11.5937 11.5937 11.8270 11.8270 11.8486 11.8486 12.2595 12.2595 12.5429 12.5429 12.6199 12.6199 13.9476 13.9476 13.9516 13.9516 k = 0.0000 0.0000 0.0403 ( 2975 PWs) bands (ev): -42.9705 -42.9705 -42.8925 -42.8925 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2266 -18.2266 -18.1766 -18.1766 -18.1515 -18.1515 -1.4478 -1.4478 -0.7240 -0.7240 1.2795 1.2795 6.3061 6.3061 8.0348 8.0348 8.0585 8.0585 8.2403 8.2403 10.4941 10.4941 10.5113 10.5113 11.5072 11.5072 11.8286 11.8286 11.8495 11.8495 12.3136 12.3136 12.5372 12.5372 12.6136 12.6136 13.9477 13.9477 13.9516 13.9516 k = 0.0000 0.0000 0.0503 ( 2999 PWs) bands (ev): -42.9708 -42.9708 -42.8928 -42.8928 -20.5057 -20.5057 -20.2978 -20.2978 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4390 -1.4390 -0.7399 -0.7399 1.2910 1.2910 6.2737 6.2737 8.0345 8.0345 8.0582 8.0582 8.3003 8.3003 10.4965 10.4965 10.5140 10.5140 11.4123 11.4123 11.8298 11.8298 11.8505 11.8505 12.3675 12.3675 12.5306 12.5306 12.6058 12.6058 13.9478 13.9478 13.9516 13.9516 k = 0.0000 0.0000 0.0604 ( 2999 PWs) bands (ev): -42.9708 -42.9708 -42.8928 -42.8928 -20.5057 -20.5057 -20.2978 -20.2978 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4283 -1.4283 -0.7588 -0.7588 1.3044 1.3044 6.2376 6.2376 8.0341 8.0341 8.0578 8.0578 8.3703 8.3703 10.4994 10.4994 10.5172 10.5172 11.3112 11.3112 11.8311 11.8311 11.8517 11.8517 12.4183 12.4183 12.5241 12.5241 12.5967 12.5967 13.9480 13.9480 13.9517 13.9517 k = 0.0000 0.0000 0.0705 ( 2999 PWs) bands (ev): -42.9707 -42.9707 -42.8928 -42.8928 -20.5057 -20.5057 -20.2978 -20.2978 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4157 -1.4157 -0.7803 -0.7803 1.3191 1.3191 6.1990 6.1990 8.0337 8.0337 8.0574 8.0574 8.4490 8.4490 10.5027 10.5027 10.5208 10.5208 11.2052 11.2052 11.8323 11.8323 11.8532 11.8532 12.4610 12.4610 12.5216 12.5216 12.5865 12.5865 13.9482 13.9482 13.9518 13.9518 k = 0.0000 0.0000 0.0805 ( 3000 PWs) bands (ev): -42.9708 -42.9708 -42.8928 -42.8928 -20.5057 -20.5057 -20.2978 -20.2978 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.4013 -1.4013 -0.8042 -0.8042 1.3349 1.3349 6.1594 6.1594 8.0333 8.0333 8.0570 8.0570 8.5352 8.5352 10.5062 10.5062 10.5246 10.5246 11.0953 11.0953 11.8336 11.8336 11.8548 11.8548 12.4805 12.4805 12.5380 12.5380 12.5755 12.5755 13.9484 13.9484 13.9519 13.9519 k = 0.0000 0.0000 0.0906 ( 2988 PWs) bands (ev): -42.9706 -42.9706 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.3851 -1.3851 -0.8301 -0.8301 1.3512 1.3512 6.1198 6.1198 8.0329 8.0329 8.0566 8.0566 8.6280 8.6280 10.5098 10.5098 10.5287 10.5287 10.9821 10.9821 11.8350 11.8350 11.8566 11.8566 12.4774 12.4774 12.5639 12.5639 12.5725 12.5725 13.9488 13.9488 13.9521 13.9521 k = 0.0000 0.0000 0.1007 ( 2994 PWs) bands (ev): -42.9706 -42.9706 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.3672 -1.3672 -0.8577 -0.8577 1.3676 1.3676 6.0813 6.0813 8.0325 8.0325 8.0561 8.0561 8.7262 8.7262 10.5135 10.5135 10.5328 10.5328 10.8662 10.8662 11.8364 11.8364 11.8584 11.8584 12.4685 12.4685 12.5522 12.5522 12.6086 12.6086 13.9491 13.9491 13.9523 13.9523 k = 0.0000 0.0000 0.1107 ( 2994 PWs) bands (ev): -42.9706 -42.9706 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.3477 -1.3477 -0.8867 -0.8867 1.3837 1.3837 6.0447 6.0447 8.0321 8.0321 8.0557 8.0557 8.8292 8.8292 10.5172 10.5172 10.5369 10.5369 10.7481 10.7481 11.8378 11.8378 11.8603 11.8603 12.4582 12.4582 12.5406 12.5406 12.6420 12.6420 13.9495 13.9495 13.9525 13.9525 k = 0.0000 0.0000 0.1208 ( 2994 PWs) bands (ev): -42.9706 -42.9706 -42.8928 -42.8928 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.3265 -1.3265 -0.9167 -0.9167 1.3990 1.3990 6.0107 6.0107 8.0317 8.0317 8.0553 8.0553 8.9362 8.9362 10.5208 10.5208 10.5408 10.5408 10.6282 10.6282 11.8393 11.8393 11.8622 11.8622 12.4479 12.4479 12.5294 12.5294 12.6718 12.6718 13.9498 13.9498 13.9528 13.9528 k = 0.0000 0.0000 0.1308 ( 2988 PWs) bands (ev): -42.9706 -42.9706 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.3039 -1.3039 -0.9474 -0.9474 1.4132 1.4132 5.9800 5.9800 8.0313 8.0313 8.0549 8.0549 9.0468 9.0468 10.5062 10.5062 10.5241 10.5241 10.5451 10.5451 11.8407 11.8407 11.8641 11.8641 12.4380 12.4380 12.5189 12.5189 12.6976 12.6976 13.9502 13.9502 13.9531 13.9531 k = 0.0000 0.0000 0.1409 ( 2988 PWs) bands (ev): -42.9706 -42.9706 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.2800 -1.2800 -0.9786 -0.9786 1.4259 1.4259 5.9532 5.9532 8.0310 8.0310 8.0545 8.0545 9.1602 9.1602 10.3841 10.3841 10.5271 10.5271 10.5481 10.5481 11.8419 11.8419 11.8658 11.8658 12.4289 12.4289 12.5095 12.5095 12.7194 12.7194 13.9505 13.9505 13.9533 13.9533 k = 0.0000 0.0000 0.1510 ( 2988 PWs) bands (ev): -42.9706 -42.9706 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.2548 -1.2548 -1.0099 -1.0099 1.4367 1.4367 5.9306 5.9306 8.0307 8.0307 8.0542 8.0542 9.2759 9.2759 10.2611 10.2611 10.5297 10.5297 10.5510 10.5510 11.8431 11.8431 11.8673 11.8673 12.4211 12.4211 12.5014 12.5014 12.7372 12.7372 13.9509 13.9509 13.9535 13.9535 k = 0.0000 0.0000 0.1610 ( 2982 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.2288 -1.2288 -1.0408 -1.0408 1.4454 1.4454 5.9127 5.9127 8.0304 8.0304 8.0540 8.0540 9.3935 9.3935 10.1381 10.1381 10.5318 10.5318 10.5533 10.5533 11.8441 11.8441 11.8686 11.8686 12.4147 12.4147 12.4948 12.4948 12.7511 12.7511 13.9511 13.9511 13.9537 13.9537 k = 0.0000 0.0000 0.1711 ( 2976 PWs) bands (ev): -42.9704 -42.9704 -42.8926 -42.8926 -20.5057 -20.5057 -20.2977 -20.2977 -18.5341 -18.5341 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.2024 -1.2024 -1.0708 -1.0708 1.4518 1.4518 5.8997 5.8997 8.0303 8.0303 8.0538 8.0538 9.5118 9.5118 10.0158 10.0158 10.5333 10.5333 10.5550 10.5550 11.8448 11.8448 11.8695 11.8695 12.4100 12.4100 12.4899 12.4899 12.7609 12.7609 13.9513 13.9513 13.9539 13.9539 k = 0.0000 0.0000 0.1812 ( 2976 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.1775 -1.1775 -1.0979 -1.0979 1.4557 1.4557 5.8918 5.8918 8.0302 8.0302 8.0537 8.0537 9.6280 9.6280 9.8972 9.8972 10.5342 10.5342 10.5561 10.5561 11.8453 11.8453 11.8701 11.8701 12.4071 12.4071 12.4869 12.4869 12.7668 12.7668 13.9514 13.9514 13.9540 13.9540 k = 0.0000 0.0000 0.1912 ( 2976 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.1638 -1.1638 -1.1123 -1.1123 1.4570 1.4570 5.8892 5.8892 8.0301 8.0301 8.0537 8.0537 9.7079 9.7079 9.8165 9.8165 10.5346 10.5346 10.5565 10.5565 11.8454 11.8454 11.8703 11.8703 12.4062 12.4062 12.4859 12.4859 12.7687 12.7687 13.9515 13.9515 13.9540 13.9540 k = 0.0000 0.0000 0.1912 ( 2976 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.1638 -1.1638 -1.1123 -1.1123 1.4570 1.4570 5.8892 5.8892 8.0301 8.0301 8.0537 8.0537 9.7079 9.7079 9.8165 9.8165 10.5346 10.5346 10.5565 10.5565 11.8454 11.8454 11.8703 11.8703 12.4062 12.4062 12.4859 12.4859 12.7687 12.7687 13.9515 13.9515 13.9540 13.9540 k = 0.0089 0.0052 0.1912 ( 2976 PWs) bands (ev): -42.9703 -42.9703 -42.8927 -42.8927 -20.5057 -20.5057 -20.2979 -20.2979 -18.5342 -18.5342 -18.2270 -18.2270 -18.1766 -18.1766 -18.1518 -18.1518 -1.1630 -1.1630 -1.1111 -1.1111 1.4569 1.4569 5.8910 5.8910 8.0294 8.0294 8.0531 8.0531 9.7103 9.7103 9.8110 9.8110 10.5355 10.5355 10.5573 10.5573 11.8374 11.8374 11.8609 11.8609 12.4065 12.4065 12.4848 12.4848 12.7804 12.7804 13.9523 13.9523 13.9552 13.9552 k = 0.0179 0.0103 0.1912 ( 2982 PWs) bands (ev): -42.9702 -42.9702 -42.8927 -42.8927 -20.5059 -20.5059 -20.2983 -20.2983 -18.5342 -18.5342 -18.2282 -18.2282 -18.1764 -18.1764 -18.1525 -18.1525 -1.1605 -1.1605 -1.1074 -1.1074 1.4564 1.4564 5.8963 5.8963 8.0261 8.0261 8.0523 8.0523 9.7173 9.7173 9.7949 9.7949 10.5382 10.5382 10.5600 10.5600 11.8135 11.8135 11.8341 11.8341 12.4011 12.4011 12.4893 12.4893 12.8119 12.8119 13.9534 13.9534 13.9599 13.9599 k = 0.0268 0.0155 0.1912 ( 2986 PWs) bands (ev): -42.9700 -42.9700 -42.8926 -42.8926 -20.5061 -20.5061 -20.2991 -20.2991 -18.5343 -18.5343 -18.2301 -18.2301 -18.1761 -18.1761 -18.1536 -18.1536 -1.1565 -1.1565 -1.1013 -1.1013 1.4556 1.4556 5.9053 5.9053 8.0186 8.0186 8.0533 8.0533 9.7287 9.7287 9.7691 9.7691 10.5421 10.5421 10.5642 10.5642 11.7740 11.7740 11.7945 11.7945 12.3829 12.3829 12.5088 12.5088 12.8565 12.8565 13.9547 13.9547 13.9685 13.9685 k = 0.0357 0.0206 0.1912 ( 2986 PWs) bands (ev): -42.9697 -42.9697 -42.8924 -42.8924 -20.5065 -20.5065 -20.3002 -20.3002 -18.5344 -18.5344 -18.2327 -18.2327 -18.1758 -18.1758 -18.1552 -18.1552 -1.1508 -1.1508 -1.0927 -1.0927 1.4545 1.4545 5.9177 5.9177 8.0063 8.0063 8.0567 8.0567 9.7319 9.7319 9.7465 9.7465 10.5465 10.5465 10.5696 10.5696 11.7184 11.7184 11.7481 11.7481 12.3560 12.3560 12.5396 12.5396 12.9086 12.9086 13.9564 13.9564 13.9810 13.9810 k = 0.0446 0.0258 0.1912 ( 2982 PWs) bands (ev): -42.9692 -42.9692 -42.8922 -42.8922 -20.5069 -20.5069 -20.3015 -20.3015 -18.5346 -18.5346 -18.2360 -18.2360 -18.1757 -18.1757 -18.1571 -18.1571 -1.1434 -1.1434 -1.0818 -1.0818 1.4532 1.4532 5.9337 5.9337 7.9901 7.9901 8.0623 8.0623 9.6902 9.6902 9.7646 9.7646 10.5512 10.5512 10.5754 10.5754 11.6493 11.6493 11.6975 11.6975 12.3247 12.3247 12.5757 12.5757 12.9649 12.9649 13.9584 13.9584 13.9976 13.9976 k = 0.0536 0.0309 0.1912 ( 2986 PWs) bands (ev): -42.9687 -42.9687 -42.8920 -42.8920 -20.5074 -20.5074 -20.3032 -20.3032 -18.5348 -18.5348 -18.2397 -18.2397 -18.1759 -18.1759 -18.1592 -18.1592 -1.1345 -1.1345 -1.0685 -1.0685 1.4515 1.4515 5.9531 5.9531 7.9707 7.9707 8.0697 8.0697 9.6406 9.6406 9.7870 9.7870 10.5559 10.5559 10.5806 10.5806 11.5702 11.5702 11.6439 11.6439 12.2905 12.2905 12.6137 12.6137 13.0232 13.0232 13.9609 13.9609 14.0186 14.0186 k = 0.0625 0.0361 0.1912 ( 2982 PWs) bands (ev): -42.9680 -42.9680 -42.8916 -42.8916 -20.5080 -20.5080 -20.3051 -20.3051 -18.5350 -18.5350 -18.2440 -18.2440 -18.1766 -18.1766 -18.1613 -18.1613 -1.1240 -1.1240 -1.0529 -1.0529 1.4495 1.4495 5.9760 5.9760 7.9487 7.9487 8.0785 8.0785 9.5852 9.5852 9.8122 9.8122 10.5604 10.5604 10.5842 10.5842 11.4839 11.4839 11.5885 11.5885 12.2539 12.2539 12.6513 12.6513 13.0821 13.0821 13.9639 13.9639 14.0441 14.0441 k = 0.0714 0.0412 0.1912 ( 2978 PWs) bands (ev): -42.9672 -42.9672 -42.8913 -42.8913 -20.5088 -20.5088 -20.3073 -20.3073 -18.5352 -18.5352 -18.2488 -18.2488 -18.1781 -18.1781 -18.1630 -18.1630 -1.1119 -1.1119 -1.0350 -1.0350 1.4472 1.4472 6.0022 6.0022 7.9248 7.9248 8.0887 8.0887 9.5249 9.5249 9.8393 9.8393 10.5642 10.5642 10.5855 10.5855 11.3924 11.3924 11.5325 11.5325 12.2148 12.2148 12.6874 12.6874 13.1406 13.1406 13.9675 13.9675 14.0743 14.0743 k = 0.0804 0.0464 0.1912 ( 2982 PWs) bands (ev): -42.9665 -42.9665 -42.8909 -42.8909 -20.5096 -20.5096 -20.3098 -20.3098 -18.5355 -18.5355 -18.2540 -18.2540 -18.1807 -18.1807 -18.1643 -18.1643 -1.0982 -1.0982 -1.0149 -1.0149 1.4447 1.4447 6.0317 6.0317 7.8995 7.8995 8.1001 8.1001 9.4605 9.4605 9.8678 9.8678 10.5658 10.5658 10.5844 10.5844 11.2978 11.2978 11.4769 11.4769 12.1729 12.1729 12.7212 12.7212 13.1979 13.1979 13.9721 13.9721 14.1094 14.1094 k = 0.0893 0.0515 0.1912 ( 2982 PWs) bands (ev): -42.9656 -42.9656 -42.8905 -42.8905 -20.5105 -20.5105 -20.3126 -20.3126 -18.5359 -18.5359 -18.2596 -18.2596 -18.1842 -18.1842 -18.1652 -18.1652 -1.0831 -1.0831 -0.9926 -0.9926 1.4419 1.4419 6.0644 6.0644 7.8734 7.8734 8.1126 8.1126 9.3927 9.3927 9.8970 9.8970 10.5615 10.5615 10.5832 10.5832 11.2024 11.2024 11.4226 11.4226 12.1281 12.1281 12.7523 12.7523 13.2535 13.2535 13.9778 13.9778 14.1493 14.1493 k = 0.0982 0.0567 0.1912 ( 2982 PWs) bands (ev): -42.9646 -42.9646 -42.8901 -42.8901 -20.5115 -20.5115 -20.3157 -20.3157 -18.5362 -18.5362 -18.2655 -18.2655 -18.1887 -18.1887 -18.1657 -18.1657 -1.0664 -1.0664 -0.9683 -0.9683 1.4388 1.4388 6.1003 6.1003 7.8468 7.8468 8.1260 8.1260 9.3222 9.3222 9.9261 9.9261 10.5474 10.5474 10.5834 10.5834 11.1088 11.1088 11.3703 11.3703 12.0804 12.0804 12.7807 12.7807 13.3066 13.3066 13.9850 13.9850 14.1938 14.1938 k = 0.1071 0.0619 0.1912 ( 2984 PWs) bands (ev): -42.9635 -42.9635 -42.8896 -42.8896 -20.5126 -20.5126 -20.3190 -20.3190 -18.5367 -18.5367 -18.2718 -18.2718 -18.1938 -18.1938 -18.1660 -18.1660 -1.0483 -1.0483 -0.9419 -0.9419 1.4356 1.4356 6.1391 6.1391 7.8203 7.8203 8.1402 8.1402 9.2493 9.2493 9.9543 9.9543 10.5221 10.5221 10.5838 10.5838 11.0202 11.0202 11.3208 11.3208 12.0298 12.0298 12.8066 12.8066 13.3566 13.3566 13.9940 13.9940 14.2425 14.2425 k = 0.1161 0.0670 0.1912 ( 2988 PWs) bands (ev): -42.9624 -42.9624 -42.8891 -42.8891 -20.5138 -20.5138 -20.3226 -20.3226 -18.5371 -18.5371 -18.2784 -18.2784 -18.1994 -18.1994 -18.1663 -18.1663 -1.0288 -1.0288 -0.9135 -0.9135 1.4321 1.4321 6.1809 6.1809 7.7941 7.7941 8.1551 8.1551 9.1746 9.1746 9.9805 9.9805 10.4839 10.4839 10.5829 10.5829 10.9406 10.9406 11.2747 11.2747 11.9764 11.9764 12.8302 12.8302 13.4028 13.4028 14.0052 14.0052 14.2952 14.2952 k = 0.1250 0.0722 0.1912 ( 2994 PWs) bands (ev): -42.9612 -42.9612 -42.8887 -42.8887 -20.5151 -20.5151 -20.3265 -20.3265 -18.5376 -18.5376 -18.2853 -18.2853 -18.2055 -18.2055 -18.1666 -18.1666 -1.0079 -1.0079 -0.8833 -0.8833 1.4285 1.4285 6.2254 6.2254 7.7688 7.7688 8.1706 8.1706 9.0984 9.0984 10.0033 10.0033 10.4314 10.4314 10.5798 10.5798 10.8730 10.8730 11.2327 11.2327 11.9203 11.9203 12.8521 12.8521 13.4446 13.4446 14.0188 14.0188 14.3512 14.3512 k = 0.1339 0.0773 0.1912 ( 2994 PWs) bands (ev): -42.9599 -42.9599 -42.8881 -42.8881 -20.5164 -20.5164 -20.3306 -20.3306 -18.5381 -18.5381 -18.2924 -18.2924 -18.2119 -18.2119 -18.1670 -18.1670 -0.9857 -0.9857 -0.8514 -0.8514 1.4247 1.4247 6.2724 6.2724 7.7446 7.7446 8.1864 8.1864 9.0212 9.0212 10.0199 10.0199 10.3665 10.3665 10.5740 10.5740 10.8189 10.8189 11.1953 11.1953 11.8617 11.8617 12.8729 12.8729 13.4815 13.4815 14.0349 14.0349 14.4100 14.4100 k = 0.1429 0.0825 0.1912 ( 2990 PWs) bands (ev): -42.9584 -42.9584 -42.8875 -42.8875 -20.5178 -20.5178 -20.3349 -20.3349 -18.5387 -18.5387 -18.2998 -18.2998 -18.2187 -18.2187 -18.1674 -18.1674 -0.9622 -0.9622 -0.8177 -0.8177 1.4209 1.4209 6.3218 6.3218 7.7218 7.7218 8.2024 8.2024 8.9433 8.9433 10.0244 10.0244 10.2967 10.2967 10.5652 10.5652 10.7764 10.7764 11.1629 11.1629 11.8009 11.8009 12.8930 12.8930 13.5135 13.5135 14.0531 14.0531 14.4712 14.4712 k = 0.1518 0.0876 0.1912 ( 2994 PWs) bands (ev): -42.9570 -42.9570 -42.8869 -42.8869 -20.5194 -20.5194 -20.3394 -20.3394 -18.5394 -18.5394 -18.3074 -18.3074 -18.2257 -18.2257 -18.1679 -18.1679 -0.9375 -0.9375 -0.7825 -0.7825 1.4170 1.4170 6.3734 6.3734 7.7006 7.7006 8.2185 8.2185 8.8649 8.8649 10.0047 10.0047 10.2371 10.2371 10.5532 10.5532 10.7428 10.7428 11.1356 11.1356 11.7382 11.7382 12.9132 12.9132 13.5405 13.5405 14.0730 14.0730 14.5339 14.5339 k = 0.1607 0.0928 0.1912 ( 2994 PWs) bands (ev): -42.9555 -42.9555 -42.8863 -42.8863 -20.5209 -20.5209 -20.3442 -20.3442 -18.5401 -18.5401 -18.3152 -18.3152 -18.2329 -18.2329 -18.1686 -18.1686 -0.9117 -0.9117 -0.7458 -0.7458 1.4131 1.4131 6.4269 6.4269 7.6814 7.6814 8.2344 8.2344 8.7863 8.7863 9.9485 9.9485 10.2031 10.2031 10.5380 10.5380 10.7154 10.7154 11.1136 11.1136 11.6739 11.6739 12.9339 12.9339 13.5629 13.5629 14.0936 14.0936 14.5977 14.5977 k = 0.1696 0.0979 0.1912 ( 2994 PWs) bands (ev): -42.9539 -42.9539 -42.8856 -42.8856 -20.5226 -20.5226 -20.3492 -20.3492 -18.5408 -18.5408 -18.3232 -18.3232 -18.2402 -18.2402 -18.1693 -18.1693 -0.8847 -0.8847 -0.7078 -0.7078 1.4094 1.4094 6.4820 6.4820 7.6644 7.6644 8.2500 8.2500 8.7078 8.7078 9.8618 9.8618 10.1905 10.1905 10.5199 10.5199 10.6922 10.6922 11.0964 11.0964 11.6085 11.6085 12.9557 12.9557 13.5815 13.5815 14.1138 14.1138 14.6617 14.6617 k = 0.1786 0.1031 0.1912 ( 2990 PWs) bands (ev): -42.9522 -42.9522 -42.8849 -42.8849 -20.5243 -20.5243 -20.3543 -20.3543 -18.5417 -18.5417 -18.3313 -18.3313 -18.2477 -18.2477 -18.1701 -18.1701 -0.8568 -0.8568 -0.6686 -0.6686 1.4057 1.4057 6.5384 6.5384 7.6497 7.6497 8.2650 8.2650 8.6296 8.6296 9.7593 9.7593 10.1857 10.1857 10.4996 10.4996 10.6724 10.6724 11.0835 11.0835 11.5422 11.5422 12.9790 12.9790 13.5970 13.5970 14.1327 14.1327 14.7253 14.7253 k = 0.1875 0.1083 0.1912 ( 2984 PWs) bands (ev): -42.9504 -42.9504 -42.8842 -42.8842 -20.5261 -20.5261 -20.3596 -20.3596 -18.5426 -18.5426 -18.3396 -18.3396 -18.2552 -18.2552 -18.1710 -18.1710 -0.8278 -0.8278 -0.6284 -0.6284 1.4023 1.4023 6.5955 6.5955 7.6376 7.6376 8.2794 8.2794 8.5521 8.5521 9.6496 9.6496 10.1810 10.1810 10.4775 10.4775 10.6554 10.6554 11.0745 11.0745 11.4756 11.4756 13.0043 13.0043 13.6104 13.6104 14.1494 14.1494 14.7872 14.7872 k = 0.1964 0.1134 0.1912 ( 2984 PWs) bands (ev): -42.9486 -42.9486 -42.8835 -42.8835 -20.5279 -20.5279 -20.3651 -20.3651 -18.5435 -18.5435 -18.3479 -18.3479 -18.2627 -18.2627 -18.1720 -18.1720 -0.7981 -0.7981 -0.5872 -0.5872 1.3993 1.3993 6.6530 6.6530 7.6282 7.6282 8.2927 8.2927 8.4754 8.4754 9.5368 9.5368 10.1725 10.1725 10.4545 10.4545 10.6412 10.6412 11.0685 11.0685 11.4090 11.4090 13.0319 13.0319 13.6224 13.6224 14.1633 14.1633 14.8459 14.8459 k = 0.2054 0.1186 0.1912 ( 2990 PWs) bands (ev): -42.9469 -42.9469 -42.8829 -42.8829 -20.5298 -20.5298 -20.3708 -20.3708 -18.5446 -18.5446 -18.3565 -18.3565 -18.2703 -18.2703 -18.1731 -18.1731 -0.7675 -0.7675 -0.5453 -0.5453 1.3966 1.3966 6.7101 6.7101 7.6219 7.6219 8.3048 8.3048 8.4001 8.4001 9.4231 9.4231 10.1582 10.1582 10.4311 10.4311 10.6299 10.6299 11.0649 11.0649 11.3430 11.3430 13.0620 13.0620 13.6339 13.6339 14.1742 14.1742 14.8989 14.8989 k = 0.2143 0.1237 0.1912 ( 2994 PWs) bands (ev): -42.9451 -42.9451 -42.8823 -42.8823 -20.5317 -20.5317 -20.3766 -20.3766 -18.5457 -18.5457 -18.3650 -18.3650 -18.2777 -18.2777 -18.1743 -18.1743 -0.7362 -0.7362 -0.5028 -0.5028 1.3945 1.3945 6.7662 6.7662 7.6188 7.6188 8.3110 8.3110 8.3307 8.3307 9.3101 9.3101 10.1373 10.1373 10.4080 10.4080 10.6213 10.6213 11.0630 11.0630 11.2781 11.2781 13.0949 13.0949 13.6455 13.6455 14.1821 14.1821 14.9457 14.9457 k = 0.2232 0.1289 0.1912 ( 2994 PWs) bands (ev): -42.9432 -42.9432 -42.8815 -42.8815 -20.5336 -20.5336 -20.3825 -20.3825 -18.5470 -18.5470 -18.3737 -18.3737 -18.2850 -18.2850 -18.1755 -18.1755 -0.7043 -0.7043 -0.4600 -0.4600 1.3930 1.3930 6.8203 6.8203 7.6190 7.6190 8.2511 8.2511 8.3279 8.3279 9.1987 9.1987 10.1094 10.1094 10.3854 10.3854 10.6153 10.6153 11.0618 11.0618 11.2152 11.2152 13.1307 13.1307 13.6578 13.6578 14.1875 14.1875 14.9892 14.9892 k = 0.2321 0.1340 0.1912 ( 3002 PWs) bands (ev): -42.9414 -42.9414 -42.8809 -42.8809 -20.5356 -20.5356 -20.3885 -20.3885 -18.5483 -18.5483 -18.3824 -18.3824 -18.2921 -18.2921 -18.1769 -18.1769 -0.6719 -0.6719 -0.4168 -0.4168 1.3923 1.3923 6.8713 6.8713 7.6228 7.6228 8.1813 8.1813 8.3357 8.3357 9.0900 9.0900 10.0748 10.0748 10.3638 10.3638 10.6115 10.6115 11.0590 11.0590 11.1565 11.1565 13.1694 13.1694 13.6712 13.6712 14.1906 14.1906 15.0317 15.0317 k = 0.2411 0.1392 0.1912 ( 3008 PWs) bands (ev): -42.9395 -42.9395 -42.8804 -42.8804 -20.5376 -20.5376 -20.3946 -20.3946 -18.5497 -18.5497 -18.3912 -18.3912 -18.2990 -18.2990 -18.1783 -18.1783 -0.6390 -0.6390 -0.3737 -0.3737 1.3925 1.3925 6.9179 6.9179 7.6303 7.6303 8.1139 8.1139 8.3424 8.3424 8.9849 8.9849 10.0338 10.0338 10.3435 10.3435 10.6094 10.6094 11.0454 11.0454 11.1113 11.1113 13.2112 13.2112 13.6862 13.6862 14.1920 14.1920 15.0739 15.0739 k = 0.2500 0.1443 0.1912 ( 3004 PWs) bands (ev): -42.9376 -42.9376 -42.8796 -42.8796 -20.5396 -20.5396 -20.4008 -20.4008 -18.5513 -18.5513 -18.4000 -18.4000 -18.3057 -18.3057 -18.1797 -18.1797 -0.6058 -0.6058 -0.3307 -0.3307 1.3938 1.3938 6.9586 6.9586 7.6412 7.6412 8.0503 8.0503 8.3476 8.3476 8.8844 8.8844 9.9872 9.9872 10.3245 10.3245 10.6083 10.6083 11.0058 11.0058 11.0948 11.0948 13.2558 13.2558 13.7029 13.7029 14.1921 14.1921 15.1149 15.1149 k = 0.2589 0.1495 0.1912 ( 3012 PWs) bands (ev): -42.9357 -42.9357 -42.8791 -42.8791 -20.5417 -20.5417 -20.4071 -20.4071 -18.5529 -18.5529 -18.4087 -18.4087 -18.3120 -18.3120 -18.1813 -18.1813 -0.5725 -0.5725 -0.2880 -0.2880 1.3962 1.3962 6.9917 6.9917 7.6552 7.6552 7.9919 7.9919 8.3511 8.3511 8.7895 8.7895 9.9356 9.9356 10.3070 10.3070 10.6078 10.6078 10.9529 10.9529 11.0944 11.0944 13.3032 13.3032 13.7214 13.7214 14.1915 14.1915 15.1526 15.1526 k = 0.2679 0.1546 0.1912 ( 3012 PWs) bands (ev): -42.9337 -42.9337 -42.8784 -42.8784 -20.5436 -20.5436 -20.4134 -20.4134 -18.5546 -18.5546 -18.4175 -18.4175 -18.3181 -18.3181 -18.1828 -18.1828 -0.5390 -0.5390 -0.2459 -0.2459 1.3999 1.3999 7.0154 7.0154 7.6707 7.6707 7.9405 7.9405 8.3530 8.3530 8.7013 8.7013 9.8799 9.8799 10.2909 10.2909 10.6073 10.6073 10.8981 10.8981 11.0989 11.0989 13.3533 13.3533 13.7417 13.7417 14.1907 14.1907 15.1830 15.1830 k = 0.2768 0.1598 0.1912 ( 3004 PWs) bands (ev): -42.9316 -42.9316 -42.8778 -42.8778 -20.5456 -20.5456 -20.4197 -20.4197 -18.5564 -18.5564 -18.4262 -18.4262 -18.3238 -18.3238 -18.1845 -18.1845 -0.5055 -0.5055 -0.2046 -0.2046 1.4051 1.4051 7.0281 7.0281 7.6854 7.6854 7.8992 7.8992 8.3531 8.3531 8.6211 8.6211 9.8209 9.8209 10.2762 10.2762 10.6062 10.6062 10.8443 10.8443 11.1057 11.1057 13.4058 13.4058 13.7637 13.7637 14.1904 14.1904 15.2021 15.2021 k = 0.2857 0.1650 0.1912 ( 3004 PWs) bands (ev): -42.9296 -42.9296 -42.8772 -42.8772 -20.5476 -20.5476 -20.4260 -20.4260 -18.5583 -18.5583 -18.4349 -18.4349 -18.3291 -18.3291 -18.1861 -18.1861 -0.4722 -0.4722 -0.1643 -0.1643 1.4119 1.4119 7.0284 7.0284 7.6950 7.6950 7.8717 7.8717 8.3515 8.3515 8.5507 8.5507 9.7592 9.7592 10.2629 10.2629 10.6037 10.6037 10.7928 10.7928 11.1141 11.1141 13.4606 13.4606 13.7870 13.7870 14.1913 14.1913 15.2109 15.2109 k = 0.2946 0.1701 0.1912 ( 3006 PWs) bands (ev): -42.9277 -42.9277 -42.8767 -42.8767 -20.5495 -20.5495 -20.4323 -20.4323 -18.5603 -18.5603 -18.4435 -18.4435 -18.3341 -18.3341 -18.1878 -18.1878 -0.4392 -0.4392 -0.1251 -0.1251 1.4203 1.4203 7.0156 7.0156 7.6957 7.6957 7.8608 7.8608 8.3480 8.3480 8.4919 8.4919 9.6956 9.6956 10.2507 10.2507 10.5982 10.5982 10.7452 10.7452 11.1240 11.1240 13.5174 13.5174 13.8110 13.8110 14.1944 14.1944 15.2126 15.2126 k = 0.3036 0.1753 0.1912 ( 3010 PWs) bands (ev): -42.9258 -42.9258 -42.8762 -42.8762 -20.5514 -20.5514 -20.4386 -20.4386 -18.5624 -18.5624 -18.4520 -18.4520 -18.3387 -18.3387 -18.1895 -18.1895 -0.4066 -0.4066 -0.0872 -0.0872 1.4305 1.4305 6.9898 6.9898 7.6882 7.6882 7.8636 7.8636 8.3423 8.3423 8.4470 8.4470 9.6308 9.6308 10.2396 10.2396 10.5869 10.5869 10.7043 10.7043 11.1351 11.1351 13.5759 13.5759 13.8347 13.8347 14.2006 14.2006 15.2101 15.2101 k = 0.3125 0.1804 0.1912 ( 3010 PWs) bands (ev): -42.9238 -42.9238 -42.8757 -42.8757 -20.5532 -20.5532 -20.4448 -20.4448 -18.5645 -18.5645 -18.4604 -18.4604 -18.3429 -18.3429 -18.1913 -18.1913 -0.3746 -0.3746 -0.0508 -0.0508 1.4425 1.4425 6.9521 6.9521 7.6764 7.6764 7.8733 7.8733 8.3343 8.3343 8.4176 8.4176 9.5655 9.5655 10.2294 10.2294 10.5658 10.5658 10.6744 10.6744 11.1474 11.1474 13.6358 13.6358 13.8572 13.8572 14.2114 14.2114 15.2051 15.2051 k = 0.3214 0.1856 0.1912 ( 3010 PWs) bands (ev): -42.9219 -42.9219 -42.8752 -42.8752 -20.5549 -20.5549 -20.4510 -20.4510 -18.5666 -18.5666 -18.4687 -18.4687 -18.3467 -18.3467 -18.1930 -18.1930 -0.3433 -0.3433 -0.0160 -0.0160 1.4564 1.4564 6.9041 6.9041 7.6630 7.6630 7.8846 7.8846 8.3250 8.3250 8.4036 8.4036 9.5004 9.5004 10.2200 10.2200 10.5340 10.5340 10.6566 10.6566 11.1609 11.1609 13.6967 13.6967 13.8772 13.8772 14.2281 14.2281 15.1985 15.1985 k = 0.3304 0.1907 0.1912 ( 3014 PWs) bands (ev): -42.9200 -42.9200 -42.8748 -42.8748 -20.5566 -20.5566 -20.4571 -20.4571 -18.5687 -18.5687 -18.4768 -18.4768 -18.3501 -18.3501 -18.1948 -18.1948 -0.3127 -0.3127 0.0171 0.0171 1.4721 1.4721 6.8479 6.8479 7.6483 7.6483 7.8957 7.8957 8.3162 8.3162 8.4022 8.4022 9.4359 9.4359 10.2113 10.2113 10.4955 10.4955 10.6468 10.6468 11.1755 11.1755 13.7584 13.7584 13.8936 13.8936 14.2518 14.2518 15.1911 15.1911 k = 0.3393 0.1959 0.1912 ( 2998 PWs) bands (ev): -42.9180 -42.9180 -42.8743 -42.8743 -20.5581 -20.5581 -20.4631 -20.4631 -18.5709 -18.5709 -18.4847 -18.4847 -18.3532 -18.3532 -18.1965 -18.1965 -0.2832 -0.2832 0.0484 0.0484 1.4897 1.4897 6.7856 6.7856 7.6315 7.6315 7.9074 7.9074 8.3082 8.3082 8.4106 8.4106 9.3728 9.3728 10.2030 10.2030 10.4549 10.4549 10.6410 10.6410 11.1911 11.1911 13.8204 13.8204 13.9061 13.9061 14.2831 14.2831 15.1832 15.1832 k = 0.3482 0.2010 0.1912 ( 2998 PWs) bands (ev): -42.9162 -42.9162 -42.8739 -42.8739 -20.5596 -20.5596 -20.4690 -20.4690 -18.5729 -18.5729 -18.4924 -18.4924 -18.3559 -18.3559 -18.1983 -18.1983 -0.2548 -0.2548 0.0778 0.0778 1.5089 1.5089 6.7190 6.7190 7.6123 7.6123 7.9212 7.9212 8.3004 8.3004 8.4259 8.4259 9.3116 9.3116 10.1953 10.1953 10.4146 10.4146 10.6369 10.6369 11.2075 11.2075 13.8821 13.8821 13.9148 13.9148 14.3220 14.3220 15.1751 15.1751 k = 0.3571 0.2062 0.1912 ( 2996 PWs) bands (ev): -42.9143 -42.9143 -42.8736 -42.8736 -20.5609 -20.5609 -20.4747 -20.4747 -18.5750 -18.5750 -18.5000 -18.5000 -18.3583 -18.3583 -18.2000 -18.2000 -0.2276 -0.2276 0.1054 0.1054 1.5297 1.5297 6.6498 6.6498 7.5908 7.5908 7.9385 7.9385 8.2923 8.2923 8.4451 8.4451 9.2529 9.2529 10.1879 10.1879 10.3761 10.3761 10.6337 10.6337 11.2246 11.2246 13.9178 13.9178 13.9455 13.9455 14.3680 14.3680 15.1672 15.1672 k = 0.3661 0.2114 0.1912 ( 2996 PWs) bands (ev): -42.9126 -42.9126 -42.8733 -42.8733 -20.5622 -20.5622 -20.4803 -20.4803 -18.5769 -18.5769 -18.5072 -18.5072 -18.3604 -18.3604 -18.2016 -18.2016 -0.2018 -0.2018 0.1311 0.1311 1.5518 1.5518 6.5794 6.5794 7.5677 7.5677 7.9597 7.9597 8.2838 8.2838 8.4652 8.4652 9.1971 9.1971 10.1808 10.1808 10.3401 10.3401 10.6309 10.6309 11.2422 11.2422 13.9203 13.9203 14.0058 14.0058 14.4201 14.4201 15.1595 15.1595 k = 0.3750 0.2165 0.1912 ( 3000 PWs) bands (ev): -42.9110 -42.9110 -42.8731 -42.8731 -20.5633 -20.5633 -20.4857 -20.4857 -18.5787 -18.5787 -18.5143 -18.5143 -18.3621 -18.3621 -18.2033 -18.2033 -0.1775 -0.1775 0.1549 0.1549 1.5749 1.5749 6.5090 6.5090 7.5438 7.5438 7.9848 7.9848 8.2751 8.2751 8.4835 8.4835 9.1447 9.1447 10.1740 10.1740 10.3074 10.3074 10.6283 10.6283 11.2601 11.2601 13.9201 13.9201 14.0655 14.0655 14.4776 14.4776 15.1521 15.1521 k = 0.3839 0.2217 0.1912 ( 3000 PWs) bands (ev): -42.9094 -42.9094 -42.8729 -42.8729 -20.5643 -20.5643 -20.4909 -20.4909 -18.5804 -18.5804 -18.5210 -18.5210 -18.3637 -18.3637 -18.2048 -18.2048 -0.1547 -0.1547 0.1770 0.1770 1.5989 1.5989 6.4395 6.4395 7.5200 7.5200 8.0135 8.0135 8.2662 8.2662 8.4981 8.4981 9.0959 9.0959 10.1675 10.1675 10.2784 10.2784 10.6257 10.6257 11.2781 11.2781 13.9184 13.9184 14.1236 14.1236 14.5395 14.5395 15.1452 15.1452 k = 0.3929 0.2268 0.1912 ( 3006 PWs) bands (ev): -42.9078 -42.9078 -42.8729 -42.8729 -20.5651 -20.5651 -20.4959 -20.4959 -18.5820 -18.5820 -18.5275 -18.5275 -18.3649 -18.3649 -18.2063 -18.2063 -0.1337 -0.1337 0.1973 0.1973 1.6234 1.6234 6.3719 6.3719 7.4970 7.4970 8.0453 8.0453 8.2575 8.2575 8.5076 8.5076 9.0509 9.0509 10.1614 10.1614 10.2536 10.2536 10.6232 10.6232 11.2959 11.2959 13.9157 13.9157 14.1796 14.1796 14.6050 14.6050 15.1388 15.1388 k = 0.4018 0.2320 0.1912 ( 3006 PWs) bands (ev): -42.9064 -42.9064 -42.8728 -42.8728 -20.5659 -20.5659 -20.5006 -20.5006 -18.5833 -18.5833 -18.5337 -18.5337 -18.3660 -18.3660 -18.2078 -18.2078 -0.1143 -0.1143 0.2159 0.2159 1.6479 1.6479 6.3068 6.3068 7.4752 7.4752 8.0799 8.0799 8.2491 8.2491 8.5116 8.5116 9.0092 9.0092 10.1557 10.1557 10.2332 10.2332 10.6207 10.6207 11.3134 11.3134 13.9125 13.9125 14.2333 14.2333 14.6734 14.6734 15.1330 15.1330 k = 0.4107 0.2371 0.1912 ( 3010 PWs) bands (ev): -42.9051 -42.9051 -42.8727 -42.8727 -20.5664 -20.5664 -20.5051 -20.5051 -18.5844 -18.5844 -18.5395 -18.5395 -18.3669 -18.3669 -18.2091 -18.2091 -0.0967 -0.0967 0.2329 0.2329 1.6722 1.6722 6.2451 6.2451 7.4550 7.4550 8.1166 8.1166 8.2412 8.2412 8.5100 8.5100 8.9703 8.9703 10.1504 10.1504 10.2172 10.2172 10.6182 10.6182 11.3302 11.3302 13.9091 13.9091 14.2840 14.2840 14.7438 14.7438 15.1277 15.1277 k = 0.4196 0.2423 0.1912 ( 3002 PWs) bands (ev): -42.9037 -42.9037 -42.8726 -42.8726 -20.5669 -20.5669 -20.5093 -20.5093 -18.5853 -18.5853 -18.5450 -18.5450 -18.3676 -18.3676 -18.2104 -18.2104 -0.0810 -0.0810 0.2483 0.2483 1.6958 1.6958 6.1872 6.1872 7.4366 7.4366 8.1548 8.1548 8.2342 8.2342 8.5037 8.5037 8.9333 8.9333 10.1457 10.1457 10.2053 10.2053 10.6157 10.6157 11.3463 11.3463 13.9057 13.9057 14.3314 14.3314 14.8154 14.8154 15.1231 15.1231 k = 0.4286 0.2474 0.1912 ( 3004 PWs) bands (ev): -42.9025 -42.9025 -42.8726 -42.8726 -20.5672 -20.5672 -20.5133 -20.5133 -18.5860 -18.5860 -18.5502 -18.5502 -18.3682 -18.3682 -18.2116 -18.2116 -0.0670 -0.0670 0.2621 0.2621 1.7183 1.7183 6.1338 6.1338 7.4202 7.4202 8.1920 8.1920 8.2304 8.2304 8.4939 8.4939 8.8973 8.8973 10.1415 10.1415 10.1973 10.1973 10.6133 10.6133 11.3612 11.3612 13.9025 13.9025 14.3751 14.3751 14.8873 14.8873 15.1191 15.1191 k = 0.4375 0.2526 0.1912 ( 3000 PWs) bands (ev): -42.9014 -42.9014 -42.8725 -42.8725 -20.5673 -20.5673 -20.5168 -20.5168 -18.5864 -18.5864 -18.5550 -18.5550 -18.3686 -18.3686 -18.2126 -18.2126 -0.0548 -0.0548 0.2744 0.2744 1.7393 1.7393 6.0854 6.0854 7.4057 7.4057 8.2109 8.2109 8.2467 8.2467 8.4819 8.4819 8.8611 8.8611 10.1379 10.1379 10.1926 10.1926 10.6110 10.6110 11.3749 11.3749 13.8995 13.8995 14.4147 14.4147 14.9584 14.9584 15.1157 15.1157 k = 0.4464 0.2577 0.1912 ( 2992 PWs) bands (ev): -42.9005 -42.9005 -42.8724 -42.8724 -20.5674 -20.5674 -20.5200 -20.5200 -18.5865 -18.5865 -18.5594 -18.5594 -18.3689 -18.3689 -18.2135 -18.2135 -0.0443 -0.0443 0.2850 0.2850 1.7584 1.7584 6.0424 6.0424 7.3933 7.3933 8.2090 8.2090 8.2852 8.2852 8.4696 8.4696 8.8242 8.8242 10.1347 10.1347 10.1906 10.1906 10.6088 10.6088 11.3872 11.3872 13.8969 13.8969 14.4499 14.4499 15.0272 15.0272 15.1134 15.1134 k = 0.4554 0.2629 0.1912 ( 2992 PWs) bands (ev): -42.8996 -42.8996 -42.8724 -42.8724 -20.5674 -20.5674 -20.5229 -20.5229 -18.5863 -18.5863 -18.5635 -18.5635 -18.3692 -18.3692 -18.2143 -18.2143 -0.0356 -0.0356 0.2941 0.2941 1.7753 1.7753 6.0053 6.0053 7.3829 7.3829 8.2049 8.2049 8.3262 8.3262 8.4588 8.4588 8.7860 8.7860 10.1320 10.1320 10.1907 10.1907 10.6068 10.6068 11.3979 11.3979 13.8946 13.8946 14.4802 14.4802 15.0886 15.0886 15.1156 15.1156 k = 0.4643 0.2681 0.1912 ( 3004 PWs) bands (ev): -42.8991 -42.8991 -42.8725 -42.8725 -20.5673 -20.5673 -20.5253 -20.5253 -18.5858 -18.5858 -18.5672 -18.5672 -18.3694 -18.3694 -18.2150 -18.2150 -0.0285 -0.0285 0.3016 0.3016 1.7896 1.7896 5.9744 5.9744 7.3744 7.3744 8.2010 8.2010 8.3645 8.3645 8.4532 8.4532 8.7464 8.7464 10.1297 10.1297 10.1920 10.1920 10.6051 10.6051 11.4068 11.4068 13.8927 13.8927 14.5054 14.5054 15.1047 15.1047 15.1583 15.1583 k = 0.4732 0.2732 0.1912 ( 3000 PWs) bands (ev): -42.8986 -42.8986 -42.8725 -42.8725 -20.5672 -20.5672 -20.5272 -20.5272 -18.5851 -18.5851 -18.5704 -18.5704 -18.3695 -18.3695 -18.2155 -18.2155 -0.0230 -0.0230 0.3074 0.3074 1.8010 1.8010 5.9501 5.9501 7.3679 7.3679 8.1978 8.1978 8.3914 8.3914 8.4616 8.4616 8.7052 8.7052 10.1279 10.1279 10.1940 10.1940 10.6037 10.6037 11.4139 11.4139 13.8913 13.8913 14.5252 14.5252 15.1044 15.1044 15.2104 15.2104 k = 0.4821 0.2784 0.1912 ( 3000 PWs) bands (ev): -42.8983 -42.8983 -42.8724 -42.8724 -20.5671 -20.5671 -20.5286 -20.5286 -18.5842 -18.5842 -18.5731 -18.5731 -18.3696 -18.3696 -18.2159 -18.2159 -0.0192 -0.0192 0.3116 0.3116 1.8093 1.8093 5.9325 5.9325 7.3633 7.3633 8.1954 8.1954 8.4000 8.4000 8.4907 8.4907 8.6630 8.6630 10.1266 10.1266 10.1958 10.1958 10.6026 10.6026 11.4190 11.4190 13.8903 13.8903 14.5396 14.5396 15.1037 15.1037 15.2526 15.2526 k = 0.4911 0.2835 0.1912 ( 2996 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5294 -20.5294 -18.5833 -18.5833 -18.5751 -18.5751 -18.3697 -18.3697 -18.2161 -18.2161 -0.0169 -0.0169 0.3142 0.3142 1.8144 1.8144 5.9219 5.9219 7.3605 7.3605 8.1940 8.1940 8.4005 8.4005 8.5300 8.5300 8.6203 8.6203 10.1258 10.1258 10.1972 10.1972 10.6020 10.6020 11.4221 11.4221 13.8897 13.8897 14.5483 14.5483 15.1032 15.1032 15.2805 15.2805 k = 0.5000 0.2887 0.1912 ( 2996 PWs) bands (ev): -42.8979 -42.8979 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0161 -0.0161 0.3150 0.3150 1.8161 1.8161 5.9183 5.9183 7.3596 7.3596 8.1935 8.1935 8.4002 8.4002 8.5630 8.5630 8.5867 8.5867 10.1255 10.1255 10.1977 10.1977 10.6017 10.6017 11.4232 11.4232 13.8895 13.8895 14.5512 14.5512 15.1030 15.1030 15.2904 15.2904 k = 0.5000 0.2887 0.1912 ( 2996 PWs) bands (ev): -42.8979 -42.8979 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0161 -0.0161 0.3150 0.3150 1.8161 1.8161 5.9183 5.9183 7.3596 7.3596 8.1935 8.1935 8.4002 8.4002 8.5630 8.5630 8.5867 8.5867 10.1255 10.1255 10.1977 10.1977 10.6017 10.6017 11.4232 11.4232 13.8895 13.8895 14.5512 14.5512 15.1030 15.1030 15.2904 15.2904 k = 0.4949 0.2974 0.1912 ( 2996 PWs) bands (ev): -42.8978 -42.8978 -42.8724 -42.8724 -20.5670 -20.5670 -20.5298 -20.5298 -18.5834 -18.5834 -18.5754 -18.5754 -18.3698 -18.3698 -18.2164 -18.2164 -0.0153 -0.0153 0.3153 0.3153 1.8158 1.8158 5.9200 5.9200 7.3599 7.3599 8.1929 8.1929 8.3999 8.3999 8.5637 8.5637 8.5868 8.5868 10.1220 10.1220 10.1962 10.1962 10.5988 10.5988 11.4253 11.4253 13.8933 13.8933 14.5486 14.5486 15.0980 15.0980 15.2950 15.2950 k = 0.4899 0.3062 0.1912 ( 3000 PWs) bands (ev): -42.8978 -42.8978 -42.8724 -42.8724 -20.5670 -20.5670 -20.5298 -20.5298 -18.5846 -18.5846 -18.5742 -18.5742 -18.3700 -18.3700 -18.2169 -18.2169 -0.0131 -0.0131 0.3162 0.3162 1.8148 1.8148 5.9252 5.9252 7.3607 7.3607 8.1912 8.1912 8.3989 8.3989 8.5659 8.5659 8.5873 8.5873 10.1117 10.1117 10.1919 10.1919 10.5901 10.5901 11.4318 11.4318 13.9045 13.9045 14.5408 14.5408 15.0842 15.0842 15.3079 15.3079 k = 0.4848 0.3149 0.1912 ( 3000 PWs) bands (ev): -42.8977 -42.8977 -42.8725 -42.8725 -20.5670 -20.5670 -20.5300 -20.5300 -18.5861 -18.5861 -18.5726 -18.5726 -18.3704 -18.3704 -18.2178 -18.2178 -0.0095 -0.0095 0.3176 0.3176 1.8132 1.8132 5.9337 5.9337 7.3620 7.3620 8.1885 8.1885 8.3972 8.3972 8.5692 8.5692 8.5883 8.5883 10.0950 10.0950 10.1845 10.1845 10.5757 10.5757 11.4426 11.4426 13.9228 13.9228 14.5283 14.5283 15.0637 15.0637 15.3269 15.3269 k = 0.4798 0.3237 0.1912 ( 3000 PWs) bands (ev): -42.8975 -42.8975 -42.8725 -42.8725 -20.5670 -20.5670 -20.5302 -20.5302 -18.5877 -18.5877 -18.5708 -18.5708 -18.3709 -18.3709 -18.2189 -18.2189 -0.0044 -0.0044 0.3197 0.3197 1.8109 1.8109 5.9456 5.9456 7.3639 7.3639 8.1851 8.1851 8.3944 8.3944 8.5733 8.5733 8.5900 8.5900 10.0726 10.0726 10.1738 10.1738 10.5556 10.5556 11.4580 11.4580 13.9475 13.9475 14.5112 14.5112 15.0385 15.0385 15.3504 15.3504 k = 0.4747 0.3324 0.1912 ( 3004 PWs) bands (ev): -42.8973 -42.8973 -42.8726 -42.8726 -20.5670 -20.5670 -20.5304 -20.5304 -18.5895 -18.5895 -18.5690 -18.5690 -18.3716 -18.3716 -18.2204 -18.2204 0.0021 0.0021 0.3223 0.3223 1.8081 1.8081 5.9609 5.9609 7.3664 7.3664 8.1812 8.1812 8.3904 8.3904 8.5779 8.5779 8.5927 8.5927 10.0450 10.0450 10.1598 10.1598 10.5300 10.5300 11.4779 11.4779 13.9780 13.9780 14.4903 14.4903 15.0096 15.0096 15.3772 15.3772 k = 0.4697 0.3412 0.1912 ( 3004 PWs) bands (ev): -42.8970 -42.8970 -42.8726 -42.8726 -20.5670 -20.5670 -20.5308 -20.5308 -18.5913 -18.5913 -18.5670 -18.5670 -18.3724 -18.3724 -18.2223 -18.2223 0.0100 0.0100 0.3254 0.3254 1.8046 1.8046 5.9795 5.9795 7.3693 7.3693 8.1773 8.1773 8.3847 8.3847 8.5828 8.5828 8.5964 8.5964 10.0130 10.0130 10.1425 10.1425 10.4993 10.4993 11.5025 11.5025 14.0132 14.0132 14.4659 14.4659 14.9779 14.9779 15.4068 15.4068 k = 0.4646 0.3499 0.1912 ( 3004 PWs) bands (ev): -42.8967 -42.8967 -42.8727 -42.8727 -20.5670 -20.5670 -20.5311 -20.5311 -18.5931 -18.5931 -18.5651 -18.5651 -18.3734 -18.3734 -18.2244 -18.2244 0.0192 0.0192 0.3290 0.3290 1.8005 1.8005 6.0014 6.0014 7.3727 7.3727 8.1736 8.1736 8.3769 8.3769 8.5880 8.5880 8.6008 8.6008 9.9773 9.9773 10.1220 10.1220 10.4637 10.4637 11.5318 11.5318 14.0520 14.0520 14.4387 14.4387 14.9438 14.9438 15.4383 15.4383 k = 0.4596 0.3587 0.1912 ( 3004 PWs) bands (ev): -42.8963 -42.8963 -42.8727 -42.8727 -20.5670 -20.5670 -20.5316 -20.5316 -18.5950 -18.5950 -18.5631 -18.5631 -18.3744 -18.3744 -18.2268 -18.2268 0.0297 0.0297 0.3331 0.3331 1.7959 1.7959 6.0265 6.0265 7.3766 7.3766 8.1705 8.1705 8.3670 8.3670 8.5936 8.5936 8.6055 8.6055 9.9386 9.9386 10.0985 10.0985 10.4237 10.4237 11.5657 11.5657 14.0934 14.0934 14.4092 14.4092 14.9075 14.9075 15.4706 15.4706 k = 0.4545 0.3674 0.1912 ( 3012 PWs) bands (ev): -42.8960 -42.8960 -42.8728 -42.8728 -20.5670 -20.5670 -20.5321 -20.5321 -18.5969 -18.5969 -18.5610 -18.5610 -18.3755 -18.3755 -18.2294 -18.2294 0.0414 0.0414 0.3376 0.3376 1.7908 1.7908 6.0548 6.0548 7.3809 7.3809 8.1682 8.1682 8.3545 8.3545 8.5989 8.5989 8.6109 8.6109 9.8975 9.8975 10.0722 10.0722 10.3800 10.3800 11.6042 11.6042 14.1362 14.1362 14.3779 14.3779 14.8694 14.8694 15.5012 15.5012 k = 0.4495 0.3762 0.1912 ( 3004 PWs) bands (ev): -42.8955 -42.8955 -42.8728 -42.8728 -20.5670 -20.5670 -20.5326 -20.5326 -18.5987 -18.5987 -18.5590 -18.5590 -18.3767 -18.3767 -18.2323 -18.2323 0.0543 0.0543 0.3425 0.3425 1.7852 1.7852 6.0863 6.0863 7.3857 7.3857 8.1670 8.1670 8.3395 8.3395 8.6024 8.6024 8.6180 8.6180 9.8547 9.8547 10.0432 10.0432 10.3333 10.3333 11.6472 11.6472 14.1792 14.1792 14.3454 14.3454 14.8297 14.8297 15.5253 15.5253 k = 0.4444 0.3849 0.1912 ( 3004 PWs) bands (ev): -42.8951 -42.8951 -42.8728 -42.8728 -20.5669 -20.5669 -20.5332 -20.5332 -18.6007 -18.6007 -18.5569 -18.5569 -18.3779 -18.3779 -18.2355 -18.2355 0.0682 0.0682 0.3477 0.3477 1.7791 1.7791 6.1207 6.1207 7.3910 7.3910 8.1670 8.1670 8.3219 8.3219 8.6028 8.6028 8.6273 8.6273 9.8109 9.8109 10.0119 10.0119 10.2842 10.2842 11.6945 11.6945 14.2211 14.2211 14.3121 14.3121 14.7886 14.7886 15.5363 15.5363 k = 0.4394 0.3936 0.1912 ( 3000 PWs) bands (ev): -42.8946 -42.8946 -42.8727 -42.8727 -20.5669 -20.5669 -20.5339 -20.5339 -18.6026 -18.6026 -18.5549 -18.5549 -18.3792 -18.3792 -18.2388 -18.2388 0.0831 0.0831 0.3532 0.3532 1.7726 1.7726 6.1581 6.1581 7.3966 7.3966 8.1683 8.1683 8.3019 8.3019 8.6000 8.6000 8.6385 8.6385 9.7665 9.7665 9.9787 9.9787 10.2338 10.2338 11.7459 11.7459 14.2590 14.2590 14.2804 14.2804 14.7465 14.7465 15.5316 15.5316 k = 0.4343 0.4024 0.1912 ( 3004 PWs) bands (ev): -42.8941 -42.8941 -42.8728 -42.8728 -20.5668 -20.5668 -20.5346 -20.5346 -18.6045 -18.6045 -18.5528 -18.5528 -18.3805 -18.3805 -18.2423 -18.2423 0.0989 0.0989 0.3589 0.3589 1.7658 1.7658 6.1984 6.1984 7.4027 7.4027 8.1707 8.1707 8.2798 8.2798 8.5937 8.5937 8.6511 8.6511 9.7219 9.7219 9.9440 9.9440 10.1826 10.1826 11.8013 11.8013 14.2416 14.2416 14.3007 14.3007 14.7039 14.7039 15.5148 15.5148 k = 0.4293 0.4111 0.1912 ( 3004 PWs) bands (ev): -42.8935 -42.8935 -42.8729 -42.8729 -20.5668 -20.5668 -20.5354 -20.5354 -18.6065 -18.6065 -18.5508 -18.5508 -18.3818 -18.3818 -18.2460 -18.2460 0.1155 0.1155 0.3648 0.3648 1.7587 1.7587 6.2415 6.2415 7.4091 7.4091 8.1737 8.1737 8.2563 8.2563 8.5837 8.5837 8.6647 8.6647 9.6775 9.6775 9.9081 9.9081 10.1318 10.1318 11.8604 11.8604 14.2074 14.2074 14.3336 14.3336 14.6617 14.6617 15.4904 15.4904 k = 0.4242 0.4199 0.1912 ( 2994 PWs) bands (ev): -42.8928 -42.8928 -42.8728 -42.8728 -20.5667 -20.5667 -20.5363 -20.5363 -18.6084 -18.6084 -18.5488 -18.5488 -18.3830 -18.3830 -18.2498 -18.2498 0.1328 0.1328 0.3707 0.3707 1.7514 1.7514 6.2873 6.2873 7.4160 7.4160 8.1750 8.1750 8.2339 8.2339 8.5696 8.5696 8.6790 8.6790 9.6334 9.6334 9.8718 9.8718 10.0820 10.0820 11.9232 11.9232 14.1728 14.1728 14.3605 14.3605 14.6220 14.6220 15.4611 15.4611 k = 0.4192 0.4286 0.1912 ( 2998 PWs) bands (ev): -42.8922 -42.8922 -42.8730 -42.8730 -20.5666 -20.5666 -20.5372 -20.5372 -18.6104 -18.6104 -18.5469 -18.5469 -18.3842 -18.3842 -18.2536 -18.2536 0.1506 0.1506 0.3767 0.3767 1.7440 1.7440 6.3356 6.3356 7.4232 7.4232 8.1677 8.1677 8.2193 8.2193 8.5513 8.5513 8.6937 8.6937 9.5895 9.5895 9.8357 9.8357 10.0341 10.0341 11.9893 11.9893 14.1381 14.1381 14.3774 14.3774 14.5885 14.5885 15.4288 15.4288 k = 0.4141 0.4374 0.1912 ( 2994 PWs) bands (ev): -42.8915 -42.8915 -42.8731 -42.8731 -20.5665 -20.5665 -20.5381 -20.5381 -18.6123 -18.6123 -18.5450 -18.5450 -18.3854 -18.3854 -18.2576 -18.2576 0.1689 0.1689 0.3827 0.3827 1.7365 1.7365 6.3863 6.3863 7.4308 7.4308 8.1462 8.1462 8.2184 8.2184 8.5289 8.5289 8.7086 8.7086 9.5457 9.5457 9.8005 9.8005 9.9888 9.9888 12.0586 12.0586 14.1034 14.1034 14.3778 14.3778 14.5678 14.5678 15.3952 15.3952 k = 0.4091 0.4461 0.1912 ( 2994 PWs) bands (ev): -42.8908 -42.8908 -42.8732 -42.8732 -20.5663 -20.5663 -20.5391 -20.5391 -18.6142 -18.6142 -18.5432 -18.5432 -18.3865 -18.3865 -18.2615 -18.2615 0.1874 0.1874 0.3885 0.3885 1.7290 1.7290 6.4394 6.4394 7.4387 7.4387 8.1162 8.1162 8.2249 8.2249 8.5029 8.5029 8.7233 8.7233 9.5017 9.5017 9.7670 9.7670 9.9467 9.9467 12.1309 12.1309 14.0688 14.0688 14.3576 14.3576 14.5646 14.5646 15.3613 15.3613 k = 0.4040 0.4549 0.1912 ( 3000 PWs) bands (ev): -42.8901 -42.8901 -42.8735 -42.8735 -20.5662 -20.5662 -20.5401 -20.5401 -18.6161 -18.6161 -18.5415 -18.5415 -18.3875 -18.3875 -18.2655 -18.2655 0.2061 0.2061 0.3942 0.3942 1.7215 1.7215 6.4946 6.4946 7.4469 7.4469 8.0826 8.0826 8.2329 8.2329 8.4745 8.4745 8.7376 8.7376 9.4570 9.4570 9.7362 9.7362 9.9083 9.9083 12.2061 12.2061 14.0342 14.0342 14.3205 14.3205 14.5751 14.5751 15.3278 15.3278 k = 0.3990 0.4636 0.1912 ( 2998 PWs) bands (ev): -42.8894 -42.8894 -42.8736 -42.8736 -20.5660 -20.5660 -20.5412 -20.5412 -18.6180 -18.6180 -18.5398 -18.5398 -18.3883 -18.3883 -18.2694 -18.2694 0.2249 0.2249 0.3996 0.3996 1.7143 1.7143 6.5519 6.5519 7.4552 7.4552 8.0471 8.0471 8.2389 8.2389 8.4464 8.4464 8.7513 8.7513 9.4112 9.4112 9.7086 9.7086 9.8737 9.8737 12.2841 12.2841 13.9995 13.9995 14.2734 14.2734 14.5932 14.5932 15.2952 15.2952 k = 0.3939 0.4724 0.1912 ( 2994 PWs) bands (ev): -42.8885 -42.8885 -42.8738 -42.8738 -20.5657 -20.5657 -20.5424 -20.5424 -18.6198 -18.6198 -18.5383 -18.5383 -18.3891 -18.3891 -18.2732 -18.2732 0.2434 0.2434 0.4046 0.4046 1.7073 1.7073 6.6110 6.6110 7.4636 7.4636 8.0103 8.0103 8.2378 8.2378 8.4233 8.4233 8.7641 8.7641 9.3641 9.3641 9.6849 9.6849 9.8430 9.8430 12.3647 12.3647 13.9646 13.9646 14.2206 14.2206 14.6150 14.6150 15.2639 15.2639 k = 0.3889 0.4811 0.1912 ( 3000 PWs) bands (ev): -42.8878 -42.8878 -42.8741 -42.8741 -20.5655 -20.5655 -20.5435 -20.5435 -18.6215 -18.6215 -18.5369 -18.5369 -18.3897 -18.3897 -18.2769 -18.2769 0.2617 0.2617 0.4093 0.4093 1.7007 1.7007 6.6718 6.6718 7.4718 7.4718 7.9729 7.9729 8.2237 8.2237 8.4118 8.4118 8.7759 8.7759 9.3155 9.3155 9.6655 9.6655 9.8162 9.8162 12.4478 12.4478 13.9294 13.9294 14.1643 14.1643 14.6388 14.6388 15.2339 15.2339 k = 0.3838 0.4899 0.1912 ( 2996 PWs) bands (ev): -42.8870 -42.8870 -42.8744 -42.8744 -20.5651 -20.5651 -20.5447 -20.5447 -18.6232 -18.6232 -18.5357 -18.5357 -18.3902 -18.3902 -18.2805 -18.2805 0.2796 0.2796 0.4134 0.4134 1.6945 1.6945 6.7341 6.7341 7.4796 7.4796 7.9352 7.9352 8.1945 8.1945 8.4146 8.4146 8.7865 8.7865 9.2654 9.2654 9.6505 9.6505 9.7929 9.7929 12.5333 12.5333 13.8938 13.8938 14.1056 14.1056 14.6640 14.6640 15.2054 15.2054 k = 0.3788 0.4986 0.1912 ( 3000 PWs) bands (ev): -42.8863 -42.8863 -42.8747 -42.8747 -20.5648 -20.5648 -20.5460 -20.5460 -18.6247 -18.6247 -18.5346 -18.5346 -18.3906 -18.3906 -18.2839 -18.2839 0.2968 0.2968 0.4170 0.4170 1.6888 1.6888 6.7977 6.7977 7.4865 7.4865 7.8977 7.8977 8.1539 8.1539 8.4290 8.4290 8.7959 8.7959 9.2140 9.2140 9.6396 9.6396 9.7728 9.7728 12.6210 12.6210 13.8578 13.8578 14.0452 14.0452 14.6901 14.6901 15.1784 15.1784 k = 0.3737 0.5074 0.1912 ( 2996 PWs) bands (ev): -42.8854 -42.8854 -42.8751 -42.8751 -20.5643 -20.5643 -20.5472 -20.5472 -18.6262 -18.6262 -18.5336 -18.5336 -18.3909 -18.3909 -18.2871 -18.2871 0.3132 0.3132 0.4199 0.4199 1.6837 1.6837 6.8623 6.8623 7.4920 7.4920 7.8609 7.8609 8.1070 8.1070 8.4510 8.4510 8.8040 8.8040 9.1617 9.1617 9.6327 9.6327 9.7556 9.7556 12.7109 12.7109 13.8212 13.8212 13.9837 13.9837 14.7172 14.7172 15.1531 15.1531 k = 0.3687 0.5161 0.1912 ( 2998 PWs) bands (ev): -42.8846 -42.8846 -42.8755 -42.8755 -20.5638 -20.5638 -20.5485 -20.5485 -18.6275 -18.6275 -18.5327 -18.5327 -18.3911 -18.3911 -18.2900 -18.2900 0.3288 0.3288 0.4222 0.4222 1.6792 1.6792 6.9276 6.9276 7.4953 7.4953 7.8250 7.8250 8.0578 8.0578 8.4780 8.4780 8.8108 8.8108 9.1089 9.1089 9.6292 9.6292 9.7409 9.7409 12.8028 12.8028 13.7840 13.7840 13.9214 13.9214 14.7450 14.7450 15.1296 15.1296 k = 0.3636 0.5249 0.1912 ( 3004 PWs) bands (ev): -42.8840 -42.8840 -42.8759 -42.8759 -20.5633 -20.5633 -20.5498 -20.5498 -18.6288 -18.6288 -18.5321 -18.5321 -18.3911 -18.3911 -18.2926 -18.2926 0.3432 0.3432 0.4236 0.4236 1.6754 1.6754 6.9933 6.9933 7.4953 7.4953 7.7907 7.7907 8.0093 8.0093 8.5087 8.5087 8.8163 8.8163 9.0561 9.0561 9.6287 9.6287 9.7282 9.7282 12.8966 12.8966 13.7460 13.7460 13.8588 13.8588 14.7732 14.7732 15.1082 15.1082 k = 0.3586 0.5336 0.1912 ( 3000 PWs) bands (ev): -42.8832 -42.8832 -42.8763 -42.8763 -20.5626 -20.5626 -20.5511 -20.5511 -18.6298 -18.6298 -18.5315 -18.5315 -18.3911 -18.3911 -18.2949 -18.2949 0.3564 0.3564 0.4243 0.4243 1.6723 1.6723 7.0589 7.0589 7.4905 7.4905 7.7583 7.7583 7.9645 7.9645 8.5422 8.5422 8.8203 8.8203 9.0039 9.0039 9.6304 9.6304 9.7173 9.7173 12.9921 12.9921 13.7074 13.7074 13.7960 13.7960 14.8013 14.8013 15.0895 15.0895 k = 0.3535 0.5424 0.1912 ( 3012 PWs) bands (ev): -42.8825 -42.8825 -42.8770 -42.8770 -20.5619 -20.5619 -20.5524 -20.5524 -18.6307 -18.6307 -18.5311 -18.5311 -18.3911 -18.3911 -18.2968 -18.2968 0.3682 0.3682 0.4242 0.4242 1.6699 1.6699 7.1237 7.1237 7.4795 7.4795 7.7284 7.7284 7.9257 7.9257 8.5781 8.5781 8.8225 8.8225 8.9532 8.9532 9.6338 9.6338 9.7080 9.7080 13.0891 13.0891 13.6678 13.6678 13.7336 13.7336 14.8282 14.8282 15.0742 15.0742 k = 0.3485 0.5511 0.1912 ( 3012 PWs) bands (ev): -42.8817 -42.8817 -42.8775 -42.8775 -20.5612 -20.5612 -20.5536 -20.5536 -18.6315 -18.6315 -18.5308 -18.5308 -18.3911 -18.3911 -18.2984 -18.2984 0.3783 0.3783 0.4233 0.4233 1.6681 1.6681 7.1866 7.1866 7.4612 7.4612 7.7019 7.7019 7.8954 7.8954 8.6159 8.6159 8.8212 8.8212 8.9065 8.9065 9.6381 9.6381 9.7002 9.7002 13.1874 13.1874 13.6271 13.6271 13.6722 13.6722 14.8523 14.8523 15.0640 15.0640 k = 0.3434 0.5599 0.1912 ( 3012 PWs) bands (ev): -42.8810 -42.8810 -42.8781 -42.8781 -20.5603 -20.5603 -20.5548 -20.5548 -18.6320 -18.6320 -18.5306 -18.5306 -18.3910 -18.3910 -18.2995 -18.2995 0.3864 0.3864 0.4219 0.4219 1.6670 1.6670 7.2457 7.2457 7.4358 7.4358 7.6799 7.6799 7.8744 7.8744 8.6553 8.6553 8.8098 8.8098 8.8707 8.8707 9.6424 9.6424 9.6940 9.6940 13.2865 13.2865 13.5838 13.5838 13.6137 13.6137 14.8711 14.8711 15.0605 15.0605 k = 0.3384 0.5686 0.1912 ( 3010 PWs) bands (ev): -42.8802 -42.8802 -42.8788 -42.8788 -20.5595 -20.5595 -20.5558 -20.5558 -18.6323 -18.6323 -18.5305 -18.5305 -18.3909 -18.3909 -18.3001 -18.3001 0.3919 0.3919 0.4205 0.4205 1.6663 1.6663 7.2967 7.2967 7.4062 7.4062 7.6642 7.6642 7.8629 7.8629 8.6960 8.6960 8.7795 8.7795 8.8556 8.8556 9.6457 9.6457 9.6899 9.6899 13.3851 13.3851 13.5345 13.5345 13.5629 13.5629 14.8824 14.8824 15.0643 15.0643 k = 0.3333 0.5774 0.1912 ( 3006 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3939 0.3939 0.4199 0.4199 1.6662 1.6662 7.3226 7.3226 7.3880 7.3880 7.6581 7.6581 7.8594 7.8594 8.7313 8.7313 8.7453 8.7453 8.8528 8.8528 9.6470 9.6470 9.6885 9.6885 13.4594 13.4594 13.4935 13.4935 13.5292 13.5292 14.8858 14.8858 15.0688 15.0688 k = 0.3333 0.5774 0.1912 ( 3006 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3939 0.3939 0.4199 0.4199 1.6662 1.6662 7.3226 7.3226 7.3880 7.3880 7.6581 7.6581 7.8594 7.8594 8.7313 8.7313 8.7453 8.7453 8.8528 8.8528 9.6470 9.6470 9.6885 9.6885 13.4594 13.4594 13.4935 13.4935 13.5292 13.5292 14.8858 14.8858 15.0688 15.0688 k = 0.3282 0.5685 0.1912 ( 3010 PWs) bands (ev): -42.8802 -42.8802 -42.8787 -42.8787 -20.5596 -20.5596 -20.5558 -20.5558 -18.6323 -18.6323 -18.5305 -18.5305 -18.3909 -18.3909 -18.3001 -18.3001 0.3919 0.3919 0.4205 0.4205 1.6663 1.6663 7.2994 7.2994 7.4026 7.4026 7.6658 7.6658 7.8624 7.8624 8.6954 8.6954 8.7808 8.7808 8.8550 8.8550 9.6457 9.6457 9.6898 9.6898 13.4119 13.4119 13.4696 13.4696 13.6009 13.6009 14.8832 14.8832 15.0608 15.0608 k = 0.3231 0.5596 0.1912 ( 3014 PWs) bands (ev): -42.8810 -42.8810 -42.8781 -42.8781 -20.5605 -20.5605 -20.5546 -20.5546 -18.6319 -18.6319 -18.5305 -18.5305 -18.3910 -18.3910 -18.2994 -18.2994 0.3864 0.3864 0.4216 0.4216 1.6666 1.6666 7.2581 7.2581 7.4181 7.4181 7.6896 7.6896 7.8705 7.8705 8.6554 8.6554 8.8169 8.8169 8.8647 8.8647 9.6425 9.6425 9.6931 9.6931 13.3520 13.3520 13.4295 13.4295 13.7021 13.7021 14.8773 14.8773 15.0415 15.0415 k = 0.3179 0.5507 0.1912 ( 3008 PWs) bands (ev): -42.8818 -42.8818 -42.8773 -42.8773 -20.5615 -20.5615 -20.5531 -20.5531 -18.6313 -18.6313 -18.5306 -18.5306 -18.3911 -18.3911 -18.2983 -18.2983 0.3784 0.3784 0.4223 0.4223 1.6669 1.6669 7.2139 7.2139 7.4232 7.4232 7.7269 7.7269 7.8823 7.8823 8.6184 8.6184 8.8350 8.8350 8.8936 8.8936 9.6383 9.6383 9.6975 9.6975 13.2915 13.2915 13.3889 13.3889 13.8047 13.8047 14.8702 14.8702 15.0179 15.0179 k = 0.3128 0.5418 0.1912 ( 3008 PWs) bands (ev): -42.8828 -42.8828 -42.8767 -42.8767 -20.5625 -20.5625 -20.5514 -20.5514 -18.6305 -18.6305 -18.5307 -18.5307 -18.3912 -18.3912 -18.2968 -18.2968 0.3684 0.3684 0.4220 0.4220 1.6671 1.6671 7.1701 7.1701 7.4207 7.4207 7.7720 7.7720 7.8971 7.8971 8.5855 8.5855 8.8399 8.8399 8.9362 8.9362 9.6338 9.6338 9.7023 9.7023 13.2310 13.2310 13.3486 13.3486 13.9069 13.9069 14.8635 14.8635 14.9925 14.9925 k = 0.3077 0.5329 0.1912 ( 3008 PWs) bands (ev): -42.8838 -42.8838 -42.8761 -42.8761 -20.5635 -20.5635 -20.5495 -20.5495 -18.6293 -18.6293 -18.5308 -18.5308 -18.3913 -18.3913 -18.2949 -18.2949 0.3567 0.3567 0.4206 0.4206 1.6669 1.6669 7.1283 7.1283 7.4144 7.4144 7.8196 7.8196 7.9143 7.9143 8.5576 8.5576 8.8408 8.8408 8.9827 8.9827 9.6294 9.6294 9.7073 9.7073 13.1707 13.1707 13.3087 13.3087 14.0080 14.0080 14.8579 14.8579 14.9662 14.9662 k = 0.3026 0.5241 0.1912 ( 3008 PWs) bands (ev): -42.8848 -42.8848 -42.8755 -42.8755 -20.5644 -20.5644 -20.5475 -20.5475 -18.6279 -18.6279 -18.5308 -18.5308 -18.3914 -18.3914 -18.2926 -18.2926 0.3432 0.3432 0.4179 0.4179 1.6661 1.6661 7.0894 7.0894 7.4067 7.4067 7.8653 7.8653 7.9340 7.9340 8.5359 8.5359 8.8398 8.8398 9.0305 9.0305 9.6257 9.6257 9.7126 9.7126 13.1104 13.1104 13.2693 13.2693 14.1073 14.1073 14.8541 14.8541 14.9396 14.9396 k = 0.2974 0.5152 0.1912 ( 2996 PWs) bands (ev): -42.8857 -42.8857 -42.8749 -42.8749 -20.5652 -20.5652 -20.5452 -20.5452 -18.6263 -18.6263 -18.5308 -18.5308 -18.3915 -18.3915 -18.2900 -18.2900 0.3282 0.3282 0.4140 0.4140 1.6646 1.6646 7.0541 7.0541 7.3990 7.3990 7.9055 7.9055 7.9567 7.9567 8.5214 8.5214 8.8372 8.8372 9.0788 9.0788 9.6231 9.6231 9.7185 9.7185 13.0502 13.0502 13.2306 13.2306 14.2040 14.2040 14.8520 14.8520 14.9134 14.9134 k = 0.2923 0.5063 0.1912 ( 2998 PWs) bands (ev): -42.8868 -42.8868 -42.8744 -42.8744 -20.5659 -20.5659 -20.5428 -20.5428 -18.6243 -18.6243 -18.5307 -18.5307 -18.3915 -18.3915 -18.2872 -18.2872 0.3117 0.3117 0.4088 0.4088 1.6622 1.6622 7.0229 7.0229 7.3919 7.3919 7.9377 7.9377 7.9826 7.9826 8.5151 8.5151 8.8330 8.8330 9.1268 9.1268 9.6220 9.6220 9.7253 9.7253 12.9899 12.9899 13.1926 13.1926 14.2975 14.2975 14.8503 14.8503 14.8896 14.8896 k = 0.2872 0.4974 0.1912 ( 2998 PWs) bands (ev): -42.8880 -42.8880 -42.8740 -42.8740 -20.5666 -20.5666 -20.5402 -20.5402 -18.6221 -18.6221 -18.5304 -18.5304 -18.3914 -18.3914 -18.2841 -18.2841 0.2936 0.2936 0.4024 0.4024 1.6588 1.6588 6.9963 6.9963 7.3861 7.3861 7.9631 7.9631 8.0090 8.0090 8.5176 8.5176 8.8272 8.8272 9.1741 9.1741 9.6230 9.6230 9.7336 9.7336 12.9295 12.9295 13.1552 13.1552 14.3871 14.3871 14.8423 14.8423 14.8754 14.8754 k = 0.2821 0.4885 0.1912 ( 2998 PWs) bands (ev): -42.8892 -42.8892 -42.8736 -42.8736 -20.5671 -20.5671 -20.5374 -20.5374 -18.6197 -18.6197 -18.5301 -18.5301 -18.3912 -18.3912 -18.2808 -18.2808 0.2740 0.2740 0.3947 0.3947 1.6543 1.6543 6.9745 6.9745 7.3816 7.3816 7.9844 7.9844 8.0320 8.0320 8.5287 8.5287 8.8198 8.8198 9.2199 9.2199 9.6267 9.6267 9.7438 9.7438 12.8690 12.8690 13.1186 13.1186 14.4720 14.4720 14.8224 14.8224 14.8766 14.8766 k = 0.2769 0.4796 0.1912 ( 3000 PWs) bands (ev): -42.8905 -42.8905 -42.8733 -42.8733 -20.5675 -20.5675 -20.5344 -20.5344 -18.6170 -18.6170 -18.5296 -18.5296 -18.3909 -18.3909 -18.2774 -18.2773 0.2529 0.2529 0.3859 0.3859 1.6485 1.6485 6.9578 6.9578 7.3786 7.3786 8.0034 8.0034 8.0501 8.0501 8.5470 8.5470 8.8114 8.8114 9.2635 9.2635 9.6341 9.6341 9.7566 9.7566 12.8083 12.8083 13.0827 13.0827 14.5513 14.5513 14.7988 14.7988 14.8856 14.8856 k = 0.2718 0.4708 0.1912 ( 2988 PWs) bands (ev): -42.8917 -42.8917 -42.8729 -42.8729 -20.5678 -20.5678 -20.5312 -20.5312 -18.6141 -18.6141 -18.5290 -18.5290 -18.3904 -18.3904 -18.2737 -18.2737 0.2305 0.2305 0.3758 0.3758 1.6415 1.6415 6.9463 6.9463 7.3771 7.3771 8.0204 8.0204 8.0640 8.0640 8.5695 8.5695 8.8034 8.8034 9.3042 9.3042 9.6458 9.6458 9.7723 9.7723 12.7476 12.7476 13.0475 13.0475 14.6242 14.6242 14.7752 14.7752 14.8988 14.8988 k = 0.2667 0.4619 0.1912 ( 2992 PWs) bands (ev): -42.8931 -42.8931 -42.8727 -42.8727 -20.5680 -20.5680 -20.5278 -20.5278 -18.6110 -18.6110 -18.5282 -18.5282 -18.3898 -18.3898 -18.2700 -18.2700 0.2066 0.2066 0.3645 0.3645 1.6331 1.6331 6.9400 6.9400 7.3772 7.3772 8.0351 8.0351 8.0753 8.0753 8.5915 8.5915 8.7985 8.7985 9.3412 9.3412 9.6629 9.6629 9.7914 9.7914 12.6869 12.6869 13.0129 13.0129 14.6893 14.6893 14.7533 14.7533 14.9152 14.9152 k = 0.2615 0.4530 0.1912 ( 2988 PWs) bands (ev): -42.8946 -42.8946 -42.8724 -42.8724 -20.5680 -20.5680 -20.5242 -20.5242 -18.6077 -18.6077 -18.5271 -18.5271 -18.3890 -18.3890 -18.2662 -18.2662 0.1815 0.1815 0.3521 0.3521 1.6234 1.6234 6.9390 6.9390 7.3789 7.3789 8.0468 8.0468 8.0861 8.0861 8.6068 8.6068 8.8013 8.8013 9.3740 9.3740 9.6856 9.6856 9.8142 9.8142 12.6264 12.6264 12.9788 12.9788 14.7251 14.7251 14.7543 14.7543 14.9343 14.9343 k = 0.2564 0.4441 0.1912 ( 2984 PWs) bands (ev): -42.8960 -42.8960 -42.8722 -42.8722 -20.5680 -20.5680 -20.5203 -20.5203 -18.6043 -18.6043 -18.5258 -18.5258 -18.3880 -18.3880 -18.2623 -18.2623 0.1550 0.1550 0.3384 0.3384 1.6126 1.6126 6.9431 6.9431 7.3821 7.3821 8.0551 8.0551 8.0978 8.0978 8.6096 8.6096 8.8164 8.8164 9.4027 9.4027 9.7142 9.7142 9.8406 9.8406 12.5662 12.5662 12.9453 12.9453 14.7085 14.7085 14.8012 14.8012 14.9556 14.9556 k = 0.2513 0.4352 0.1912 ( 2980 PWs) bands (ev): -42.8975 -42.8975 -42.8721 -42.8721 -20.5678 -20.5678 -20.5163 -20.5163 -18.6007 -18.6007 -18.5243 -18.5243 -18.3867 -18.3867 -18.2583 -18.2583 0.1273 0.1273 0.3234 0.3234 1.6006 1.6006 6.9524 6.9524 7.3870 7.3870 8.0604 8.0604 8.1107 8.1107 8.5991 8.5991 8.8439 8.8439 9.4280 9.4280 9.7478 9.7478 9.8709 9.8709 12.5066 12.5066 12.9121 12.9121 14.6909 14.6909 14.8425 14.8425 14.9784 14.9784 k = 0.2462 0.4264 0.1912 ( 2978 PWs) bands (ev): -42.8990 -42.8990 -42.8720 -42.8720 -20.5674 -20.5674 -20.5121 -20.5121 -18.5970 -18.5970 -18.5224 -18.5224 -18.3853 -18.3853 -18.2543 -18.2543 0.0985 0.0985 0.3071 0.3071 1.5877 1.5877 6.9664 6.9664 7.3934 7.3934 8.0630 8.0630 8.1246 8.1246 8.5791 8.5791 8.8801 8.8801 9.4507 9.4507 9.7857 9.7857 9.9047 9.9047 12.4480 12.4480 12.8794 12.8794 14.6750 14.6750 14.8757 14.8757 15.0018 15.0018 k = 0.2410 0.4175 0.1912 ( 2982 PWs) bands (ev): -42.9007 -42.9007 -42.8720 -42.8720 -20.5670 -20.5670 -20.5077 -20.5077 -18.5933 -18.5933 -18.5202 -18.5202 -18.3836 -18.3836 -18.2503 -18.2503 0.0685 0.0685 0.2894 0.2894 1.5739 1.5739 6.9850 6.9850 7.4013 7.4013 8.0633 8.0633 8.1391 8.1391 8.5537 8.5537 8.9213 8.9213 9.4721 9.4721 9.8265 9.8265 9.9420 9.9420 12.3906 12.3906 12.8468 12.8468 14.6612 14.6612 14.9006 14.9006 15.0249 15.0249 k = 0.2359 0.4086 0.1912 ( 2980 PWs) bands (ev): -42.9024 -42.9024 -42.8721 -42.8721 -20.5664 -20.5664 -20.5032 -20.5032 -18.5897 -18.5897 -18.5176 -18.5176 -18.3817 -18.3817 -18.2463 -18.2463 0.0376 0.0376 0.2702 0.2702 1.5595 1.5595 7.0078 7.0078 7.4109 7.4109 8.0605 8.0605 8.1542 8.1542 8.5264 8.5264 8.9652 8.9652 9.4931 9.4931 9.8694 9.8694 9.9823 9.9823 12.3348 12.3348 12.8145 12.8145 14.6496 14.6496 14.9173 14.9173 15.0470 15.0470 k = 0.2308 0.3997 0.1912 ( 2984 PWs) bands (ev): -42.9042 -42.9042 -42.8722 -42.8722 -20.5657 -20.5657 -20.4984 -20.4984 -18.5860 -18.5860 -18.5146 -18.5146 -18.3795 -18.3795 -18.2424 -18.2424 0.0057 0.0057 0.2496 0.2496 1.5447 1.5447 7.0344 7.0344 7.4221 7.4221 8.0534 8.0534 8.1701 8.1701 8.4999 8.4999 9.0102 9.0102 9.5145 9.5145 9.9133 9.9133 10.0253 10.0253 12.2809 12.2809 12.7824 12.7824 14.6403 14.6403 14.9259 14.9259 15.0672 15.0672 k = 0.2256 0.3908 0.1912 ( 2988 PWs) bands (ev): -42.9060 -42.9060 -42.8724 -42.8724 -20.5648 -20.5648 -20.4935 -20.4935 -18.5825 -18.5825 -18.5112 -18.5112 -18.3771 -18.3771 -18.2384 -18.2384 -0.0270 -0.0270 0.2273 0.2273 1.5296 1.5296 7.0642 7.0642 7.4348 7.4348 8.0407 8.0407 8.1871 8.1871 8.4768 8.4768 9.0557 9.0557 9.5368 9.5368 9.9576 9.9576 10.0706 10.0706 12.2294 12.2294 12.7504 12.7504 14.6333 14.6333 14.9265 14.9265 15.0850 15.0850 k = 0.2205 0.3819 0.1912 ( 2990 PWs) bands (ev): -42.9078 -42.9078 -42.8726 -42.8726 -20.5639 -20.5639 -20.4884 -20.4884 -18.5791 -18.5791 -18.5072 -18.5072 -18.3744 -18.3744 -18.2345 -18.2345 -0.0606 -0.0606 0.2035 0.2035 1.5146 1.5146 7.0968 7.0968 7.4491 7.4491 8.0208 8.0208 8.2058 8.2058 8.4593 8.4593 9.1012 9.1012 9.5606 9.5606 10.0017 10.0017 10.1178 10.1178 12.1806 12.1806 12.7184 12.7184 14.6284 14.6284 14.9195 14.9195 15.0994 15.0994 k = 0.2154 0.3731 0.1912 ( 2982 PWs) bands (ev): -42.9096 -42.9096 -42.8726 -42.8726 -20.5628 -20.5628 -20.4831 -20.4831 -18.5758 -18.5758 -18.5028 -18.5028 -18.3714 -18.3714 -18.2307 -18.2307 -0.0948 -0.0948 0.1780 0.1780 1.4998 1.4998 7.1313 7.1313 7.4649 7.4649 7.9930 7.9930 8.2266 8.2266 8.4486 8.4486 9.1462 9.1462 9.5860 9.5860 10.0452 10.0452 10.1666 10.1666 12.1351 12.1351 12.6865 12.6865 14.6254 14.6254 14.9054 14.9054 15.1093 15.1093 k = 0.2103 0.3642 0.1912 ( 2982 PWs) bands (ev): -42.9115 -42.9115 -42.8729 -42.8729 -20.5616 -20.5616 -20.4777 -20.4777 -18.5728 -18.5728 -18.4979 -18.4979 -18.3682 -18.3682 -18.2269 -18.2269 -0.1297 -0.1297 0.1508 0.1508 1.4854 1.4854 7.1672 7.1672 7.4819 7.4819 7.9575 7.9575 8.2501 8.2501 8.4452 8.4452 9.1907 9.1907 9.6133 9.6133 10.0877 10.0877 10.2164 10.2164 12.0931 12.0931 12.6547 12.6547 14.6241 14.6241 14.8851 14.8851 15.1134 15.1134 k = 0.2051 0.3553 0.1912 ( 2974 PWs) bands (ev): -42.9133 -42.9133 -42.8732 -42.8732 -20.5603 -20.5603 -20.4721 -20.4721 -18.5700 -18.5700 -18.4925 -18.4925 -18.3647 -18.3647 -18.2232 -18.2232 -0.1651 -0.1651 0.1219 0.1219 1.4717 1.4717 7.2037 7.2037 7.4996 7.4996 7.9156 7.9156 8.2771 8.2771 8.4484 8.4484 9.2344 9.2344 9.6423 9.6423 10.1290 10.1290 10.2671 10.2671 12.0551 12.0551 12.6229 12.6229 14.6238 14.6238 14.8599 14.8599 15.1104 15.1104 k = 0.2000 0.3464 0.1912 ( 2978 PWs) bands (ev): -42.9153 -42.9153 -42.8736 -42.8736 -20.5589 -20.5589 -20.4664 -20.4664 -18.5673 -18.5673 -18.4866 -18.4866 -18.3609 -18.3609 -18.2196 -18.2196 -0.2009 -0.2009 0.0912 0.0912 1.4587 1.4587 7.2400 7.2400 7.5173 7.5173 7.8695 7.8695 8.3082 8.3082 8.4570 8.4570 9.2773 9.2773 9.6732 9.6732 10.1686 10.1686 10.3182 10.3182 12.0215 12.0215 12.5911 12.5911 14.6235 14.6235 14.8310 14.8310 15.0998 15.0998 k = 0.1949 0.3375 0.1912 ( 2978 PWs) bands (ev): -42.9173 -42.9173 -42.8739 -42.8739 -20.5574 -20.5574 -20.4606 -20.4606 -18.5649 -18.5649 -18.4803 -18.4803 -18.3568 -18.3568 -18.2160 -18.2160 -0.2371 -0.2371 0.0589 0.0589 1.4467 1.4467 7.2753 7.2753 7.5330 7.5330 7.8223 7.8223 8.3440 8.3440 8.4698 8.4698 9.3195 9.3195 9.7058 9.7058 10.2064 10.2064 10.3695 10.3695 11.9926 11.9926 12.5595 12.5595 14.6218 14.6218 14.8008 14.8008 15.0818 15.0818 k = 0.1897 0.3286 0.1912 ( 2982 PWs) bands (ev): -42.9193 -42.9193 -42.8744 -42.8744 -20.5558 -20.5558 -20.4547 -20.4547 -18.5627 -18.5627 -18.4735 -18.4735 -18.3525 -18.3525 -18.2125 -18.2125 -0.2736 -0.2736 0.0250 0.0250 1.4357 1.4357 7.3090 7.3090 7.5426 7.5426 7.7793 7.7793 8.3851 8.3851 8.4857 8.4857 9.3609 9.3609 9.7400 9.7400 10.2423 10.2423 10.4208 10.4208 11.9687 11.9687 12.5279 12.5279 14.6156 14.6156 14.7725 14.7725 15.0576 15.0576 k = 0.1846 0.3198 0.1912 ( 2990 PWs) bands (ev): -42.9214 -42.9214 -42.8749 -42.8749 -20.5542 -20.5542 -20.4487 -20.4487 -18.5606 -18.5606 -18.4664 -18.4664 -18.3478 -18.3478 -18.2092 -18.2092 -0.3103 -0.3103 -0.0105 -0.0105 1.4258 1.4258 7.3404 7.3404 7.5386 7.5386 7.7490 7.7490 8.4318 8.4318 8.5039 8.5039 9.4018 9.4018 9.7754 9.7754 10.2760 10.2760 10.4718 10.4718 11.9501 11.9501 12.4965 12.4965 14.6010 14.6010 14.7504 14.7504 15.0290 15.0290 k = 0.1795 0.3109 0.1912 ( 2990 PWs) bands (ev): -42.9234 -42.9234 -42.8754 -42.8754 -20.5525 -20.5525 -20.4427 -20.4427 -18.5587 -18.5587 -18.4590 -18.4590 -18.3429 -18.3429 -18.2059 -18.2059 -0.3470 -0.3470 -0.0475 -0.0475 1.4172 1.4172 7.3690 7.3690 7.5134 7.5134 7.7399 7.7399 8.4827 8.4827 8.5250 8.5250 9.4423 9.4423 9.8120 9.8120 10.3076 10.3076 10.5223 10.5223 11.9371 11.9371 12.4653 12.4653 14.5753 14.5753 14.7373 14.7373 14.9975 14.9975 k = 0.1744 0.3020 0.1912 ( 2986 PWs) bands (ev): -42.9254 -42.9254 -42.8759 -42.8759 -20.5507 -20.5507 -20.4365 -20.4365 -18.5569 -18.5569 -18.4512 -18.4512 -18.3377 -18.3377 -18.2028 -18.2028 -0.3838 -0.3838 -0.0858 -0.0858 1.4097 1.4097 7.3937 7.3937 7.4700 7.4700 7.7505 7.7505 8.5268 8.5268 8.5597 8.5597 9.4828 9.4828 9.8494 9.8494 10.3368 10.3368 10.5719 10.5719 11.9297 11.9297 12.4343 12.4343 14.5397 14.5397 14.7320 14.7320 14.9646 14.9646 k = 0.1692 0.2931 0.1912 ( 2992 PWs) bands (ev): -42.9275 -42.9275 -42.8765 -42.8765 -20.5488 -20.5488 -20.4304 -20.4304 -18.5553 -18.5553 -18.4432 -18.4432 -18.3323 -18.3323 -18.1998 -18.1998 -0.4206 -0.4206 -0.1253 -0.1253 1.4035 1.4035 7.3975 7.3975 7.4330 7.4330 7.7736 7.7736 8.5511 8.5511 8.6202 8.6202 9.5236 9.5236 9.8871 9.8871 10.3639 10.3639 10.6204 10.6204 11.9281 11.9281 12.4037 12.4037 14.4977 14.4977 14.7305 14.7305 14.9314 14.9314 k = 0.1641 0.2842 0.1912 ( 2996 PWs) bands (ev): -42.9296 -42.9296 -42.8771 -42.8771 -20.5470 -20.5470 -20.4242 -20.4242 -18.5538 -18.5538 -18.4350 -18.4350 -18.3266 -18.3266 -18.1969 -18.1969 -0.4572 -0.4572 -0.1659 -0.1659 1.3984 1.3984 7.3430 7.3430 7.4456 7.4456 7.8037 7.8037 8.5694 8.5694 8.6921 8.6921 9.5650 9.5650 9.9249 9.9249 10.3889 10.3889 10.6675 10.6675 11.9325 11.9325 12.3735 12.3735 14.4519 14.4519 14.7295 14.7295 14.8987 14.8987 k = 0.1590 0.2754 0.1912 ( 2992 PWs) bands (ev): -42.9316 -42.9316 -42.8777 -42.8777 -20.5450 -20.5450 -20.4180 -20.4180 -18.5523 -18.5523 -18.4266 -18.4266 -18.3207 -18.3207 -18.1941 -18.1941 -0.4936 -0.4936 -0.2073 -0.2073 1.3945 1.3945 7.2776 7.2776 7.4635 7.4635 7.8380 7.8380 8.5855 8.5855 8.7708 8.7708 9.6075 9.6075 9.9622 9.9622 10.4120 10.4120 10.7128 10.7128 11.9428 11.9428 12.3437 12.3437 14.4043 14.4043 14.7262 14.7262 14.8671 14.8671 k = 0.1538 0.2665 0.1912 ( 2988 PWs) bands (ev): -42.9335 -42.9335 -42.8783 -42.8783 -20.5431 -20.5431 -20.4118 -20.4118 -18.5510 -18.5510 -18.4180 -18.4180 -18.3145 -18.3145 -18.1914 -18.1914 -0.5297 -0.5297 -0.2495 -0.2495 1.3917 1.3917 7.2096 7.2096 7.4804 7.4804 7.8751 7.8751 8.5999 8.5999 8.8554 8.8554 9.6514 9.6514 9.9985 9.9985 10.4335 10.4335 10.7560 10.7560 11.9589 11.9589 12.3146 12.3146 14.3558 14.3558 14.7179 14.7179 14.8369 14.8369 k = 0.1487 0.2576 0.1912 ( 2992 PWs) bands (ev): -42.9356 -42.9356 -42.8789 -42.8789 -20.5411 -20.5411 -20.4056 -20.4056 -18.5497 -18.5497 -18.4094 -18.4094 -18.3081 -18.3081 -18.1889 -18.1889 -0.5654 -0.5654 -0.2922 -0.2922 1.3899 1.3899 7.1406 7.1406 7.4961 7.4961 7.9140 7.9140 8.6129 8.6129 8.9452 8.9452 9.6970 9.6970 10.0330 10.0330 10.4538 10.4538 10.7968 10.7968 11.9807 11.9807 12.2862 12.2862 14.3073 14.3073 14.7024 14.7024 14.8083 14.8083 k = 0.1436 0.2487 0.1912 ( 2992 PWs) bands (ev): -42.9375 -42.9375 -42.8796 -42.8796 -20.5392 -20.5392 -20.3995 -20.3995 -18.5486 -18.5486 -18.4006 -18.4006 -18.3016 -18.3016 -18.1865 -18.1865 -0.6006 -0.6006 -0.3353 -0.3353 1.3891 1.3891 7.0711 7.0711 7.5110 7.5110 7.9537 7.9537 8.6249 8.6249 9.0394 9.0394 9.7445 9.7445 10.0653 10.0653 10.4733 10.4733 10.8349 10.8349 12.0079 12.0079 12.2589 12.2589 14.2591 14.2591 14.6783 14.6783 14.7814 14.7814 k = 0.1385 0.2398 0.1912 ( 2992 PWs) bands (ev): -42.9395 -42.9395 -42.8803 -42.8803 -20.5372 -20.5372 -20.3934 -20.3934 -18.5474 -18.5474 -18.3918 -18.3918 -18.2948 -18.2948 -18.1842 -18.1842 -0.6354 -0.6354 -0.3786 -0.3786 1.3891 1.3891 7.0018 7.0018 7.5252 7.5252 7.9933 7.9933 8.6365 8.6365 9.1375 9.1375 9.7940 9.7940 10.0945 10.0945 10.4925 10.4925 10.8701 10.8701 12.0401 12.0401 12.2329 12.2329 14.2116 14.2116 14.6449 14.6449 14.7560 14.7560 k = 0.1333 0.2309 0.1912 ( 3004 PWs) bands (ev): -42.9416 -42.9416 -42.8810 -42.8810 -20.5352 -20.5352 -20.3874 -20.3874 -18.5464 -18.5464 -18.3830 -18.3830 -18.2879 -18.2879 -18.1821 -18.1821 -0.6695 -0.6695 -0.4220 -0.4220 1.3899 1.3899 6.9329 6.9329 7.5394 7.5394 8.0320 8.0320 8.6487 8.6487 9.2389 9.2389 9.8456 9.8456 10.1200 10.1200 10.5120 10.5120 10.9024 10.9024 12.0766 12.0766 12.2089 12.2089 14.1646 14.1646 14.6027 14.6027 14.7318 14.7318 k = 0.1282 0.2221 0.1912 ( 3004 PWs) bands (ev): -42.9435 -42.9435 -42.8817 -42.8817 -20.5333 -20.5333 -20.3815 -20.3815 -18.5454 -18.5454 -18.3742 -18.3742 -18.2809 -18.2809 -18.1801 -18.1801 -0.7030 -0.7030 -0.4651 -0.4651 1.3914 1.3914 6.8648 6.8648 7.5536 7.5536 8.0686 8.0686 8.6624 8.6624 9.3428 9.3428 9.8991 9.8991 10.1414 10.1414 10.5320 10.5320 10.9317 10.9317 12.1150 12.1150 12.1889 12.1889 14.1182 14.1182 14.5533 14.5533 14.7083 14.7083 k = 0.1231 0.2132 0.1912 ( 3004 PWs) bands (ev): -42.9454 -42.9454 -42.8824 -42.8824 -20.5314 -20.5314 -20.3757 -20.3757 -18.5444 -18.5444 -18.3654 -18.3654 -18.2738 -18.2738 -18.1782 -18.1782 -0.7357 -0.7357 -0.5080 -0.5080 1.3935 1.3935 6.7977 6.7977 7.5683 7.5683 8.1019 8.1019 8.6792 8.6792 9.4483 9.4483 9.9542 9.9542 10.1585 10.1585 10.5530 10.5530 10.9584 10.9584 12.1416 12.1416 12.1863 12.1863 14.0721 14.0721 14.4990 14.4990 14.6851 14.6851 k = 0.1179 0.2043 0.1912 ( 3002 PWs) bands (ev): -42.9472 -42.9472 -42.8831 -42.8831 -20.5295 -20.5295 -20.3700 -20.3700 -18.5435 -18.5435 -18.3567 -18.3567 -18.2666 -18.2666 -18.1765 -18.1765 -0.7677 -0.7677 -0.5503 -0.5503 1.3960 1.3960 6.7318 6.7318 7.5836 7.5836 8.1308 8.1308 8.7003 8.7003 9.5546 9.5546 10.0106 10.0106 10.1717 10.1717 10.5750 10.5750 10.9825 10.9825 12.1349 12.1349 12.2223 12.2223 14.0260 14.0260 14.4420 14.4420 14.6611 14.6611 k = 0.1128 0.1954 0.1912 ( 3006 PWs) bands (ev): -42.9490 -42.9490 -42.8838 -42.8838 -20.5277 -20.5277 -20.3644 -20.3644 -18.5427 -18.5427 -18.3481 -18.3481 -18.2593 -18.2593 -18.1750 -18.1750 -0.7987 -0.7987 -0.5920 -0.5920 1.3990 1.3990 6.6674 6.6674 7.5998 7.5998 8.1542 8.1542 8.7269 8.7269 9.6602 9.6602 10.0674 10.0674 10.1819 10.1819 10.5978 10.5978 11.0046 11.0046 12.1211 12.1211 12.2701 12.2701 13.9793 13.9793 14.3844 14.3844 14.6355 14.6355 k = 0.1077 0.1865 0.1912 ( 3002 PWs) bands (ev): -42.9508 -42.9508 -42.8844 -42.8844 -20.5258 -20.5258 -20.3590 -20.3590 -18.5419 -18.5419 -18.3396 -18.3396 -18.2521 -18.2521 -18.1735 -18.1735 -0.8289 -0.8289 -0.6329 -0.6329 1.4023 1.4023 6.6045 6.6045 7.6170 7.6170 8.1715 8.1715 8.7599 8.7599 9.7629 9.7629 10.1229 10.1229 10.1924 10.1924 10.6213 10.6213 11.0252 11.0252 12.1087 12.1087 12.3207 12.3207 13.9313 13.9313 14.3282 14.3282 14.6070 14.6070 k = 0.1026 0.1776 0.1912 ( 3002 PWs) bands (ev): -42.9525 -42.9525 -42.8851 -42.8851 -20.5241 -20.5241 -20.3537 -20.3537 -18.5411 -18.5411 -18.3312 -18.3312 -18.2448 -18.2448 -18.1722 -18.1722 -0.8580 -0.8580 -0.6729 -0.6729 1.4058 1.4058 6.5435 6.5435 7.6354 7.6354 8.1826 8.1826 8.7994 8.7994 9.8585 9.8585 10.1702 10.1702 10.2129 10.2129 10.6455 10.6455 11.0449 11.0449 12.0993 12.0993 12.3718 12.3718 13.8815 13.8815 14.2751 14.2751 14.5747 14.5747 k = 0.0974 0.1688 0.1912 ( 3002 PWs) bands (ev): -42.9541 -42.9541 -42.8857 -42.8857 -20.5224 -20.5224 -20.3486 -20.3486 -18.5404 -18.5404 -18.3230 -18.3230 -18.2377 -18.2377 -18.1711 -18.1711 -0.8861 -0.8861 -0.7118 -0.7118 1.4096 1.4096 6.4844 6.4844 7.6550 7.6550 8.1879 8.1879 8.8452 8.8452 9.9393 9.9393 10.2024 10.2024 10.2563 10.2563 10.6706 10.6706 11.0646 11.0646 12.0935 12.0935 12.4223 12.4223 13.8294 13.8294 14.2261 14.2261 14.5382 14.5382 k = 0.0923 0.1599 0.1912 ( 2998 PWs) bands (ev): -42.9557 -42.9557 -42.8864 -42.8864 -20.5208 -20.5208 -20.3437 -20.3437 -18.5398 -18.5398 -18.3150 -18.3150 -18.2306 -18.2306 -18.1701 -18.1701 -0.9131 -0.9131 -0.7495 -0.7495 1.4134 1.4134 6.4274 6.4274 7.6757 7.6757 8.1882 8.1882 8.8966 8.8966 9.9938 9.9938 10.2424 10.2424 10.3093 10.3093 10.6976 10.6976 11.0851 11.0851 12.0915 12.0915 12.4708 12.4708 13.7747 13.7747 14.1820 14.1820 14.4975 14.4975 k = 0.0872 0.1510 0.1912 ( 2996 PWs) bands (ev): -42.9571 -42.9571 -42.8870 -42.8870 -20.5192 -20.5192 -20.3390 -20.3390 -18.5391 -18.5391 -18.3071 -18.3071 -18.2237 -18.2237 -18.1692 -18.1692 -0.9390 -0.9390 -0.7858 -0.7858 1.4173 1.4173 6.3726 6.3726 7.6977 7.6977 8.1845 8.1845 8.9528 8.9528 10.0176 10.0176 10.3005 10.3005 10.3625 10.3625 10.7285 10.7285 11.1074 11.1074 12.0935 12.0935 12.5165 12.5165 13.7173 13.7173 14.1432 14.1432 14.4533 14.4533 k = 0.0821 0.1421 0.1912 ( 3004 PWs) bands (ev): -42.9587 -42.9587 -42.8877 -42.8877 -20.5177 -20.5177 -20.3345 -20.3345 -18.5386 -18.5386 -18.2995 -18.2995 -18.2170 -18.2170 -18.1685 -18.1685 -0.9637 -0.9637 -0.8207 -0.8207 1.4212 1.4212 6.3202 6.3202 7.7208 7.7208 8.1777 8.1777 9.0128 9.0128 10.0193 10.0193 10.3657 10.3657 10.4139 10.4139 10.7664 10.7664 11.1326 11.1326 12.0995 12.0995 12.5580 12.5580 13.6576 13.6576 14.1096 14.1096 14.4066 14.4066 k = 0.0769 0.1332 0.1912 ( 3000 PWs) bands (ev): -42.9601 -42.9601 -42.8882 -42.8882 -20.5163 -20.5163 -20.3302 -20.3302 -18.5380 -18.5380 -18.2921 -18.2921 -18.2105 -18.2105 -18.1678 -18.1678 -0.9871 -0.9871 -0.8540 -0.8540 1.4250 1.4250 6.2704 6.2704 7.7450 7.7450 8.1685 8.1685 9.0756 9.0756 10.0086 10.0086 10.4244 10.4244 10.4619 10.4619 10.8157 10.8157 11.1618 11.1618 12.1093 12.1093 12.5945 12.5945 13.5961 13.5961 14.0807 14.0807 14.3585 14.3585 k = 0.0718 0.1244 0.1912 ( 3000 PWs) bands (ev): -42.9614 -42.9614 -42.8888 -42.8888 -20.5150 -20.5150 -20.3262 -20.3262 -18.5375 -18.5375 -18.2850 -18.2850 -18.2043 -18.2043 -18.1673 -18.1673 -1.0092 -1.0092 -0.8857 -0.8857 1.4287 1.4287 6.2231 6.2231 7.7701 7.7701 8.1578 8.1578 9.1406 9.1406 9.9910 9.9910 10.4708 10.4708 10.5032 10.5032 10.8794 10.8794 11.1957 11.1957 12.1226 12.1226 12.6249 12.6249 13.5332 13.5332 14.0563 14.0563 14.3102 14.3102 k = 0.0667 0.1155 0.1912 ( 2996 PWs) bands (ev): -42.9625 -42.9625 -42.8893 -42.8893 -20.5137 -20.5137 -20.3224 -20.3224 -18.5370 -18.5370 -18.2781 -18.2781 -18.1984 -18.1984 -18.1669 -18.1669 -1.0300 -1.0300 -0.9156 -0.9156 1.4323 1.4323 6.1787 6.1787 7.7960 7.7960 8.1461 8.1461 9.2069 9.2069 9.9690 9.9690 10.5057 10.5057 10.5343 10.5343 10.9568 10.9568 11.2350 11.2350 12.1391 12.1391 12.6485 12.6485 13.4695 13.4695 14.0356 14.0356 14.2628 14.2628 k = 0.0615 0.1066 0.1912 ( 2992 PWs) bands (ev): -42.9636 -42.9636 -42.8898 -42.8898 -20.5125 -20.5125 -20.3188 -20.3188 -18.5366 -18.5366 -18.2715 -18.2715 -18.1930 -18.1930 -18.1664 -18.1664 -1.0494 -1.0494 -0.9436 -0.9436 1.4358 1.4358 6.1371 6.1371 7.8223 7.8223 8.1339 8.1339 9.2737 9.2737 9.9442 9.9442 10.5311 10.5311 10.5556 10.5556 11.0442 11.0442 11.2798 11.2798 12.1582 12.1582 12.6645 12.6645 13.4053 13.4053 14.0183 14.0183 14.2171 14.2171 k = 0.0564 0.0977 0.1912 ( 2988 PWs) bands (ev): -42.9647 -42.9647 -42.8902 -42.8902 -20.5115 -20.5115 -20.3155 -20.3155 -18.5362 -18.5362 -18.2653 -18.2653 -18.1881 -18.1881 -18.1660 -18.1660 -1.0673 -1.0673 -0.9697 -0.9697 1.4390 1.4390 6.0984 6.0984 7.8488 7.8488 8.1216 8.1216 9.3403 9.3403 9.9177 9.9177 10.5476 10.5476 10.5698 10.5698 11.1375 11.1375 11.3297 11.3297 12.1797 12.1797 12.6724 12.6724 13.3409 13.3409 14.0039 14.0039 14.1741 14.1741 k = 0.0513 0.0888 0.1912 ( 2988 PWs) bands (ev): -42.9656 -42.9656 -42.8906 -42.8906 -20.5105 -20.5105 -20.3125 -20.3125 -18.5359 -18.5359 -18.2593 -18.2593 -18.1838 -18.1838 -18.1654 -18.1654 -1.0838 -1.0838 -0.9938 -0.9938 1.4420 1.4420 6.0628 6.0628 7.8752 7.8752 8.1096 8.1096 9.4060 9.4060 9.8903 9.8903 10.5566 10.5566 10.5793 10.5793 11.2329 11.2329 11.3840 11.3840 12.2029 12.2029 12.6722 12.6722 13.2766 13.2766 13.9921 13.9921 14.1344 14.1344 k = 0.0462 0.0799 0.1912 ( 2980 PWs) bands (ev): -42.9665 -42.9665 -42.8909 -42.8909 -20.5096 -20.5096 -20.3097 -20.3097 -18.5355 -18.5355 -18.2538 -18.2538 -18.1804 -18.1804 -18.1644 -18.1644 -1.0989 -1.0989 -1.0159 -1.0159 1.4448 1.4448 6.0303 6.0303 7.9012 7.9012 8.0981 8.0981 9.4700 9.4700 9.8627 9.8627 10.5601 10.5601 10.5847 10.5847 11.3279 11.3279 11.4418 11.4418 12.2274 12.2274 12.6639 12.6639 13.2126 13.2126 13.9824 13.9824 14.0985 14.0985 k = 0.0410 0.0711 0.1912 ( 2976 PWs) bands (ev): -42.9672 -42.9672 -42.8913 -42.8913 -20.5087 -20.5087 -20.3072 -20.3072 -18.5352 -18.5352 -18.2486 -18.2486 -18.1779 -18.1779 -18.1631 -18.1631 -1.1124 -1.1124 -1.0358 -1.0358 1.4473 1.4473 6.0011 6.0011 7.9262 7.9262 8.0874 8.0874 9.5316 9.5316 9.8355 9.8355 10.5601 10.5601 10.5864 10.5864 11.4205 11.4205 11.5020 11.5020 12.2530 12.2530 12.6481 12.6481 13.1491 13.1491 13.9746 13.9746 14.0666 14.0666 k = 0.0359 0.0622 0.1912 ( 2976 PWs) bands (ev): -42.9679 -42.9679 -42.8916 -42.8916 -20.5080 -20.5080 -20.3050 -20.3050 -18.5350 -18.5350 -18.2439 -18.2439 -18.1765 -18.1765 -18.1612 -18.1612 -1.1244 -1.1244 -1.0535 -1.0535 1.4496 1.4496 5.9751 5.9751 7.9498 7.9498 8.0777 8.0777 9.5899 9.5899 9.8094 9.8094 10.5580 10.5580 10.5849 10.5849 11.5088 11.5088 11.5632 11.5632 12.2793 12.2793 12.6256 12.6256 13.0864 13.0864 13.9683 13.9683 14.0389 14.0389 k = 0.0308 0.0533 0.1912 ( 2984 PWs) bands (ev): -42.9686 -42.9686 -42.8920 -42.8920 -20.5074 -20.5074 -20.3031 -20.3031 -18.5348 -18.5348 -18.2396 -18.2396 -18.1758 -18.1758 -18.1591 -18.1591 -1.1348 -1.1348 -1.0689 -1.0689 1.4515 1.4515 5.9525 5.9525 7.9714 7.9714 8.0692 8.0692 9.6438 9.6438 9.7851 9.7851 10.5546 10.5546 10.5809 10.5809 11.5909 11.5909 11.6242 11.6242 12.3062 12.3062 12.5980 12.5980 13.0248 13.0248 13.9634 13.9634 14.0154 14.0154 k = 0.0256 0.0444 0.1912 ( 2988 PWs) bands (ev): -42.9692 -42.9692 -42.8923 -42.8923 -20.5069 -20.5069 -20.3015 -20.3015 -18.5346 -18.5346 -18.2359 -18.2359 -18.1757 -18.1757 -18.1570 -18.1570 -1.1436 -1.1436 -1.0821 -1.0821 1.4532 1.4532 5.9332 5.9332 7.9906 7.9906 8.0621 8.0621 9.6924 9.6924 9.7632 9.7632 10.5506 10.5506 10.5755 10.5755 11.6646 11.6646 11.6838 11.6838 12.3334 12.3334 12.5670 12.5670 12.9650 12.9650 13.9597 13.9597 13.9958 13.9958 k = 0.0205 0.0355 0.1912 ( 2986 PWs) bands (ev): -42.9696 -42.9696 -42.8925 -42.8925 -20.5064 -20.5064 -20.3001 -20.3001 -18.5344 -18.5344 -18.2327 -18.2327 -18.1758 -18.1758 -18.1552 -18.1552 -1.1509 -1.1509 -1.0929 -1.0929 1.4546 1.4546 5.9174 5.9174 8.0067 8.0067 8.0566 8.0566 9.7340 9.7340 9.7448 9.7448 10.5463 10.5463 10.5696 10.5696 11.7271 11.7271 11.7411 11.7411 12.3602 12.3602 12.5354 12.5354 12.9081 12.9081 13.9569 13.9569 13.9801 13.9801 k = 0.0154 0.0266 0.1912 ( 2986 PWs) bands (ev): -42.9700 -42.9700 -42.8926 -42.8926 -20.5061 -20.5061 -20.2991 -20.2991 -18.5343 -18.5343 -18.2301 -18.2301 -18.1761 -18.1761 -18.1536 -18.1536 -1.1565 -1.1565 -1.1014 -1.1014 1.4556 1.4556 5.9051 5.9051 8.0187 8.0187 8.0532 8.0532 9.7285 9.7285 9.7695 9.7695 10.5420 10.5420 10.5641 10.5641 11.7768 11.7768 11.7930 11.7930 12.3845 12.3845 12.5073 12.5073 12.8558 12.8558 13.9549 13.9549 13.9681 13.9681 k = 0.0103 0.0178 0.1912 ( 2982 PWs) bands (ev): -42.9702 -42.9702 -42.8927 -42.8927 -20.5059 -20.5059 -20.2983 -20.2983 -18.5342 -18.5342 -18.2282 -18.2282 -18.1764 -18.1764 -18.1525 -18.1525 -1.1606 -1.1606 -1.1074 -1.1074 1.4564 1.4564 5.8963 5.8963 8.0261 8.0261 8.0523 8.0523 9.7172 9.7172 9.7951 9.7951 10.5382 10.5382 10.5599 10.5599 11.8141 11.8141 11.8342 11.8342 12.4014 12.4014 12.4890 12.4890 12.8115 12.8115 13.9535 13.9535 13.9598 13.9598 k = 0.0051 0.0089 0.1912 ( 2976 PWs) bands (ev): -42.9703 -42.9703 -42.8927 -42.8927 -20.5057 -20.5057 -20.2979 -20.2979 -18.5342 -18.5342 -18.2270 -18.2270 -18.1766 -18.1766 -18.1517 -18.1517 -1.1630 -1.1630 -1.1111 -1.1111 1.4569 1.4569 5.8910 5.8910 8.0294 8.0294 8.0531 8.0531 9.7103 9.7103 9.8111 9.8111 10.5355 10.5355 10.5573 10.5573 11.8374 11.8374 11.8610 11.8610 12.4065 12.4065 12.4848 12.4848 12.7803 12.7803 13.9523 13.9523 13.9552 13.9552 k = 0.0000 0.0000 0.1912 ( 2976 PWs) bands (ev): -42.9704 -42.9704 -42.8927 -42.8927 -20.5057 -20.5057 -20.2977 -20.2977 -18.5342 -18.5342 -18.2267 -18.2267 -18.1766 -18.1766 -18.1515 -18.1515 -1.1638 -1.1638 -1.1123 -1.1123 1.4570 1.4570 5.8892 5.8892 8.0301 8.0301 8.0537 8.0537 9.7079 9.7079 9.8165 9.8165 10.5346 10.5346 10.5565 10.5565 11.8454 11.8454 11.8703 11.8703 12.4062 12.4062 12.4859 12.4859 12.7687 12.7687 13.9515 13.9515 13.9540 13.9540 k = 0.5000 0.2887 0.1912 ( 2996 PWs) bands (ev): -42.8979 -42.8979 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0161 -0.0161 0.3150 0.3150 1.8161 1.8161 5.9183 5.9183 7.3596 7.3596 8.1935 8.1935 8.4002 8.4002 8.5630 8.5630 8.5867 8.5867 10.1255 10.1255 10.1977 10.1977 10.6017 10.6017 11.4232 11.4232 13.8895 13.8895 14.5512 14.5512 15.1030 15.1030 15.2904 15.2904 k = 0.5000 0.2887 0.1812 ( 3002 PWs) bands (ev): -42.8980 -42.8980 -42.8725 -42.8725 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0156 -0.0156 0.3143 0.3143 1.8163 1.8163 5.9192 5.9192 7.3588 7.3588 8.1934 8.1934 8.4004 8.4004 8.5258 8.5258 8.6233 8.6233 10.1266 10.1266 10.1982 10.1982 10.6016 10.6016 11.4217 11.4217 13.8900 13.8900 14.5511 14.5511 15.1033 15.1033 15.2909 15.2909 k = 0.5000 0.2887 0.1711 ( 2998 PWs) bands (ev): -42.8979 -42.8979 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0142 -0.0142 0.3124 0.3124 1.8170 1.8170 5.9216 5.9216 7.3564 7.3564 8.1929 8.1929 8.4003 8.4003 8.4801 8.4801 8.6682 8.6682 10.1299 10.1299 10.1999 10.1999 10.6012 10.6012 11.4172 11.4172 13.8913 13.8913 14.5509 14.5509 15.1043 15.1043 15.2925 15.2925 k = 0.5000 0.2887 0.1610 ( 3000 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0119 -0.0119 0.3091 0.3091 1.8180 1.8180 5.9257 5.9257 7.3526 7.3526 8.1922 8.1922 8.3932 8.3932 8.4420 8.4420 8.7118 8.7118 10.1354 10.1354 10.2027 10.2027 10.6004 10.6004 11.4099 11.4099 13.8935 13.8935 14.5506 14.5506 15.1060 15.1060 15.2952 15.2952 k = 0.5000 0.2887 0.1510 ( 3004 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0086 -0.0086 0.3046 0.3046 1.8194 1.8194 5.9313 5.9313 7.3473 7.3473 8.1912 8.1912 8.3624 8.3624 8.4291 8.4291 8.7532 8.7532 10.1428 10.1428 10.2069 10.2069 10.5991 10.5991 11.3998 11.3998 13.8965 13.8965 14.5502 14.5502 15.1081 15.1081 15.2989 15.2989 k = 0.5000 0.2887 0.1409 ( 3002 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 -0.0045 -0.0045 0.2990 0.2990 1.8211 1.8211 5.9383 5.9383 7.3408 7.3408 8.1900 8.1900 8.3180 8.3180 8.4317 8.4317 8.7919 8.7919 10.1522 10.1522 10.2125 10.2125 10.5974 10.5974 11.3873 11.3873 13.9002 13.9002 14.5498 14.5498 15.1108 15.1108 15.3037 15.3037 k = 0.5000 0.2887 0.1308 ( 3010 PWs) bands (ev): -42.8981 -42.8981 -42.8725 -42.8725 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0006 0.0006 0.2922 0.2922 1.8231 1.8231 5.9466 5.9466 7.3332 7.3332 8.1884 8.1884 8.2716 8.2716 8.4386 8.4386 8.8277 8.8277 10.1633 10.1633 10.2197 10.2197 10.5949 10.5949 11.3725 11.3725 13.9045 13.9045 14.5492 14.5492 15.1138 15.1138 15.3095 15.3095 k = 0.5000 0.2887 0.1208 ( 3012 PWs) bands (ev): -42.8982 -42.8982 -42.8725 -42.8725 -20.5670 -20.5670 -20.5298 -20.5298 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2163 -18.2163 0.0065 0.0065 0.2843 0.2843 1.8253 1.8253 5.9560 5.9560 7.3245 7.3245 8.1863 8.1863 8.2261 8.2261 8.4474 8.4474 8.8602 8.8602 10.1759 10.1759 10.2286 10.2286 10.5915 10.5915 11.3557 11.3557 13.9093 13.9093 14.5487 14.5487 15.1170 15.1170 15.3163 15.3163 k = 0.5000 0.2887 0.1107 ( 3008 PWs) bands (ev): -42.8982 -42.8982 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2163 -18.2163 0.0132 0.0132 0.2755 0.2755 1.8276 1.8276 5.9663 5.9663 7.3152 7.3152 8.1761 8.1761 8.1901 8.1901 8.4572 8.4572 8.8894 8.8894 10.1897 10.1897 10.2394 10.2394 10.5872 10.5872 11.3374 11.3374 13.9144 13.9144 14.5481 14.5481 15.1204 15.1204 15.3240 15.3240 k = 0.5000 0.2887 0.1007 ( 3012 PWs) bands (ev): -42.8982 -42.8982 -42.8725 -42.8725 -20.5670 -20.5670 -20.5298 -20.5298 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0207 0.0207 0.2658 0.2658 1.8301 1.8301 5.9773 5.9773 7.3053 7.3053 8.1371 8.1371 8.1849 8.1849 8.4678 8.4678 8.9152 8.9152 10.2043 10.2043 10.2521 10.2521 10.5817 10.5817 11.3179 11.3179 13.9198 13.9198 14.5475 14.5475 15.1237 15.1237 15.3325 15.3325 k = 0.5000 0.2887 0.0906 ( 3010 PWs) bands (ev): -42.8981 -42.8981 -42.8725 -42.8725 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0289 0.0289 0.2554 0.2554 1.8326 1.8326 5.9886 5.9886 7.2951 7.2951 8.0977 8.0977 8.1827 8.1827 8.4786 8.4786 8.9375 8.9375 10.2194 10.2194 10.2667 10.2667 10.5750 10.5750 11.2977 11.2977 13.9253 13.9253 14.5470 14.5470 15.1270 15.1270 15.3418 15.3418 k = 0.5000 0.2887 0.0805 ( 3012 PWs) bands (ev): -42.8981 -42.8981 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0378 0.0378 0.2444 0.2444 1.8350 1.8350 6.0001 6.0001 7.2849 7.2849 8.0610 8.0610 8.1809 8.1809 8.4895 8.4895 8.9565 8.9565 10.2346 10.2346 10.2831 10.2831 10.5669 10.5669 11.2773 11.2773 13.9306 13.9306 14.5464 14.5464 15.1301 15.1301 15.3516 15.3516 k = 0.5000 0.2887 0.0705 ( 3004 PWs) bands (ev): -42.8980 -42.8980 -42.8725 -42.8725 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0473 0.0473 0.2328 0.2328 1.8374 1.8374 6.0113 6.0113 7.2749 7.2749 8.0276 8.0276 8.1791 8.1791 8.5000 8.5000 8.9722 8.9722 10.2495 10.2495 10.3011 10.3011 10.5575 10.5575 11.2572 11.2572 13.9357 13.9357 14.5459 14.5459 15.1331 15.1331 15.3618 15.3618 k = 0.5000 0.2887 0.0604 ( 3000 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0573 0.0573 0.2209 0.2209 1.8395 1.8395 6.0220 6.0220 7.2655 7.2655 7.9980 7.9980 8.1775 8.1775 8.5099 8.5099 8.9851 8.9851 10.2638 10.2638 10.3204 10.3204 10.5465 10.5465 11.2381 11.2381 13.9405 13.9405 14.5455 14.5455 15.1357 15.1357 15.3721 15.3721 k = 0.5000 0.2887 0.0503 ( 3000 PWs) bands (ev): -42.8980 -42.8980 -42.8724 -42.8724 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0677 0.0677 0.2088 0.2088 1.8415 1.8415 6.0318 6.0318 7.2568 7.2568 7.9724 7.9724 8.1761 8.1761 8.5188 8.5188 8.9953 8.9953 10.2770 10.2770 10.3406 10.3406 10.5341 10.5341 11.2205 11.2205 13.9447 13.9447 14.5451 14.5451 15.1379 15.1379 15.3822 15.3822 k = 0.5000 0.2887 0.0403 ( 3010 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0782 0.0782 0.1968 0.1968 1.8431 1.8431 6.0403 6.0403 7.2492 7.2492 7.9511 7.9511 8.1749 8.1749 8.5266 8.5266 9.0030 9.0030 10.2886 10.2886 10.3613 10.3613 10.5203 10.5203 11.2050 11.2050 13.9483 13.9483 14.5447 14.5447 15.1398 15.1398 15.3917 15.3917 k = 0.5000 0.2887 0.0302 ( 3016 PWs) bands (ev): -42.8981 -42.8981 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0885 0.0885 0.1853 0.1853 1.8444 1.8444 6.0473 6.0473 7.2430 7.2430 7.9343 7.9343 8.1739 8.1739 8.5329 8.5329 9.0087 9.0087 10.2983 10.2983 10.3820 10.3820 10.5053 10.5053 11.1923 11.1923 13.9512 13.9512 14.5445 14.5445 15.1413 15.1413 15.4000 15.4000 k = 0.5000 0.2887 0.0201 ( 3016 PWs) bands (ev): -42.8981 -42.8981 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.0981 0.0981 0.1749 0.1749 1.8454 1.8454 6.0525 6.0525 7.2383 7.2383 7.9222 7.9222 8.1732 8.1732 8.5376 8.5376 9.0126 9.0126 10.3055 10.3055 10.4020 10.4020 10.4895 10.4895 11.1827 11.1827 13.9534 13.9534 14.5443 14.5443 15.1424 15.1424 15.4066 15.4066 k = 0.5000 0.2887 0.0101 ( 3012 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.1054 0.1054 0.1671 0.1671 1.8460 1.8460 6.0557 6.0557 7.2354 7.2354 7.9149 7.9149 8.1728 8.1728 8.5404 8.5404 9.0148 9.0148 10.3100 10.3100 10.4197 10.4197 10.4745 10.4745 11.1768 11.1768 13.9547 13.9547 14.5442 14.5442 15.1430 15.1430 15.4108 15.4108 k = 0.5000 0.2887-0.0000 ( 3014 PWs) bands (ev): -42.8980 -42.8980 -42.8726 -42.8726 -20.5670 -20.5670 -20.5297 -20.5297 -18.5829 -18.5829 -18.5759 -18.5759 -18.3697 -18.3697 -18.2162 -18.2162 0.1084 0.1084 0.1639 0.1639 1.8462 1.8462 6.0568 6.0568 7.2345 7.2345 7.9124 7.9124 8.1726 8.1726 8.5414 8.5414 9.0156 9.0156 10.3116 10.3116 10.4286 10.4286 10.4664 10.4664 11.1748 11.1748 13.9552 13.9552 14.5441 14.5441 15.1432 15.1432 15.4123 15.4123 k = 0.3333 0.5774-0.0000 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3945 0.3945 0.4206 0.4206 1.6660 1.6660 7.3005 7.3005 7.3531 7.3531 7.5751 7.5751 7.9381 7.9381 8.8065 8.8065 8.8560 8.8560 8.9025 8.9025 9.5824 9.5824 9.6009 9.6009 13.1120 13.1120 13.4984 13.4984 13.5262 13.5262 14.9716 14.9716 15.0393 15.0393 k = 0.3333 0.5774 0.0101 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3945 0.3945 0.4206 0.4206 1.6660 1.6660 7.3006 7.3006 7.3533 7.3533 7.5755 7.5755 7.9377 7.9377 8.8059 8.8059 8.8552 8.8552 8.9021 8.9021 9.5829 9.5829 9.6016 9.6016 13.1142 13.1142 13.4982 13.4982 13.5260 13.5260 14.9723 14.9723 15.0399 15.0399 k = 0.3333 0.5774 0.0201 ( 3012 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3945 0.3945 0.4206 0.4206 1.6660 1.6660 7.3010 7.3010 7.3540 7.3540 7.5768 7.5768 7.9364 7.9364 8.8043 8.8043 8.8528 8.8528 8.9010 8.9010 9.5843 9.5843 9.6036 9.6036 13.1208 13.1208 13.4975 13.4975 13.5253 13.5253 14.9741 14.9741 15.0417 15.0417 k = 0.3333 0.5774 0.0302 ( 3009 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3944 0.3944 0.4206 0.4206 1.6660 1.6660 7.3018 7.3018 7.3551 7.3551 7.5790 7.5790 7.9345 7.9345 8.8017 8.8017 8.8489 8.8489 8.8992 8.8992 9.5866 9.5866 9.6068 9.6068 13.1316 13.1316 13.4964 13.4964 13.5242 13.5242 14.9771 14.9771 15.0447 15.0447 k = 0.3333 0.5774 0.0403 ( 3009 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3944 0.3944 0.4205 0.4205 1.6660 1.6660 7.3027 7.3027 7.3566 7.3566 7.5819 7.5819 7.9317 7.9317 8.7981 8.7981 8.8436 8.8436 8.8968 8.8968 9.5897 9.5897 9.6112 9.6112 13.1466 13.1466 13.4950 13.4950 13.5227 13.5227 14.9813 14.9813 15.0488 15.0488 k = 0.3333 0.5774 0.0503 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3944 0.3944 0.4205 0.4205 1.6660 1.6660 7.3040 7.3040 7.3585 7.3585 7.5857 7.5857 7.9282 7.9282 8.7937 8.7937 8.8371 8.8371 8.8939 8.8939 9.5935 9.5935 9.6165 9.6165 13.1655 13.1655 13.4932 13.4932 13.5208 13.5208 14.9864 14.9864 15.0539 15.0539 k = 0.3333 0.5774 0.0604 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3944 0.3944 0.4204 0.4204 1.6660 1.6660 7.3054 7.3054 7.3607 7.3607 7.5902 7.5902 7.9241 7.9241 8.7887 8.7887 8.8296 8.8296 8.8905 8.8905 9.5979 9.5979 9.6226 9.6226 13.1880 13.1880 13.4911 13.4911 13.5187 13.5187 14.9925 14.9925 15.0598 15.0598 k = 0.3333 0.5774 0.0705 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3943 0.3943 0.4204 0.4204 1.6660 1.6660 7.3070 7.3070 7.3632 7.3632 7.5953 7.5953 7.9193 7.9193 8.7830 8.7830 8.8214 8.8214 8.8868 8.8868 9.6028 9.6028 9.6293 9.6293 13.2137 13.2137 13.4889 13.4889 13.5163 13.5163 14.9992 14.9992 15.0665 15.0665 k = 0.3333 0.5774 0.0805 ( 2997 PWs) bands (ev): -42.8793 -42.8793 -42.8793 -42.8793 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3943 0.3943 0.4203 0.4203 1.6660 1.6660 7.3087 7.3087 7.3659 7.3659 7.6010 7.6010 7.9139 7.9139 8.7771 8.7771 8.8126 8.8126 8.8829 8.8829 9.6079 9.6079 9.6364 9.6364 13.2423 13.2423 13.4865 13.4865 13.5137 13.5137 15.0064 15.0064 15.0737 15.0737 k = 0.3333 0.5774 0.0906 ( 3003 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3942 0.3942 0.4203 0.4203 1.6661 1.6661 7.3105 7.3105 7.3687 7.3687 7.6072 7.6072 7.9081 7.9081 8.7709 8.7709 8.8035 8.8035 8.8788 8.8788 9.6132 9.6132 9.6436 9.6436 13.2731 13.2731 13.4841 13.4841 13.5111 13.5111 15.0140 15.0140 15.0813 15.0813 k = 0.3333 0.5774 0.1007 ( 3009 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3942 0.3942 0.4202 0.4202 1.6661 1.6661 7.3123 7.3123 7.3716 7.3716 7.6138 7.6138 7.9019 7.9019 8.7647 8.7647 8.7943 8.7943 8.8748 8.8748 9.6186 9.6186 9.6508 9.6508 13.3055 13.3055 13.4817 13.4817 13.5084 13.5084 15.0215 15.0215 15.0890 15.0890 k = 0.3333 0.5774 0.1107 ( 3006 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3941 0.3941 0.4202 0.4202 1.6661 1.6661 7.3141 7.3141 7.3745 7.3745 7.6206 7.6206 7.8954 7.8954 8.7587 8.7587 8.7854 8.7854 8.8708 8.8708 9.6237 9.6237 9.6577 9.6577 13.3387 13.3387 13.4796 13.4796 13.5057 13.5057 15.0288 15.0288 15.0967 15.0967 k = 0.3333 0.5774 0.1208 ( 3000 PWs) bands (ev): -42.8793 -42.8793 -42.8793 -42.8793 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3941 0.3941 0.4201 0.4201 1.6661 1.6661 7.3159 7.3159 7.3772 7.3772 7.6275 7.6275 7.8889 7.8889 8.7529 8.7529 8.7770 8.7770 8.8670 8.8670 9.6287 9.6287 9.6643 9.6643 13.3717 13.3717 13.4779 13.4779 13.5031 13.5031 15.0350 15.0350 15.1041 15.1041 k = 0.3333 0.5774 0.1308 ( 3018 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3941 0.3941 0.4201 0.4201 1.6661 1.6661 7.3175 7.3175 7.3798 7.3798 7.6342 7.6342 7.8824 7.8824 8.7476 8.7476 8.7692 8.7692 8.8635 8.8635 9.6332 9.6332 9.6703 9.6703 13.4031 13.4031 13.4772 13.4772 13.5008 13.5008 15.0351 15.0351 15.0685 15.0685 k = 0.3333 0.5774 0.1409 ( 3021 PWs) bands (ev): -42.8796 -42.8796 -42.8796 -42.8796 -20.5592 -20.5592 -20.5563 -20.5563 -18.6324 -18.6324 -18.5305 -18.5305 -18.3909 -18.3909 -18.3004 -18.3004 0.3940 0.3940 0.4200 0.4200 1.6661 1.6661 7.3190 7.3190 7.3822 7.3822 7.6406 7.6406 7.8763 7.8763 8.7429 8.7429 8.7623 8.7623 8.8604 8.8604 9.6372 9.6372 9.6756 9.6756 13.4304 13.4304 13.4789 13.4789 13.4986 13.4986 15.0056 15.0056 15.0566 15.0566 k = 0.3333 0.5774 0.1510 ( 3012 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3940 0.3940 0.4200 0.4200 1.6661 1.6661 7.3202 7.3202 7.3842 7.3842 7.6463 7.6463 7.8707 7.8707 8.7388 8.7388 8.7563 8.7563 8.8578 8.8578 9.6406 9.6406 9.6801 9.6801 13.4490 13.4490 13.4865 13.4865 13.4968 13.4968 14.9662 14.9662 15.0596 15.0596 k = 0.3333 0.5774 0.1610 ( 3012 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3940 0.3940 0.4200 0.4200 1.6662 1.6662 7.3213 7.3213 7.3858 7.3858 7.6512 7.6512 7.8660 7.8660 8.7356 8.7356 8.7516 8.7516 8.8556 8.8556 9.6433 9.6433 9.6837 9.6837 13.4565 13.4565 13.4954 13.4954 13.5011 13.5011 14.9325 14.9325 15.0633 15.0633 k = 0.3333 0.5774 0.1711 ( 3012 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3940 0.3940 0.4199 0.4199 1.6662 1.6662 7.3220 7.3220 7.3870 7.3870 7.6550 7.6550 7.8624 7.8624 8.7332 8.7332 8.7481 8.7481 8.8541 8.8541 9.6453 9.6453 9.6863 9.6863 13.4587 13.4587 13.4943 13.4943 13.5158 13.5158 14.9070 14.9070 15.0663 15.0663 k = 0.3333 0.5774 0.1812 ( 3012 PWs) bands (ev): -42.8795 -42.8795 -42.8795 -42.8795 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3004 -18.3004 0.3939 0.3939 0.4199 0.4199 1.6662 1.6662 7.3225 7.3225 7.3877 7.3877 7.6573 7.6573 7.8601 7.8601 8.7318 8.7318 8.7460 8.7460 8.8531 8.8531 9.6466 9.6466 9.6879 9.6879 13.4592 13.4592 13.4937 13.4937 13.5257 13.5257 14.8911 14.8911 15.0682 15.0682 k = 0.3333 0.5774 0.1912 ( 3006 PWs) bands (ev): -42.8794 -42.8794 -42.8794 -42.8794 -20.5591 -20.5591 -20.5563 -20.5563 -18.6324 -18.6324 -18.5304 -18.5304 -18.3909 -18.3909 -18.3003 -18.3003 0.3939 0.3939 0.4199 0.4199 1.6662 1.6662 7.3226 7.3226 7.3880 7.3880 7.6581 7.6581 7.8594 7.8594 8.7313 8.7313 8.7453 8.7453 8.8528 8.8528 9.6470 9.6470 9.6885 9.6885 13.4594 13.4594 13.4935 13.4935 13.5292 13.5292 14.8858 14.8858 15.0688 15.0688 Writing output data file Nb2CS2.save init_run : 0.43s CPU 0.70s WALL ( 1 calls) electrons : 125.01s CPU 128.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 125.00s CPU 128.20s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.06s WALL ( 374 calls) cegterg : 112.94s CPU 114.62s WALL ( 453 calls) Called by sum_band: Called by *egterg: h_psi : 54.66s CPU 55.84s WALL ( 7645 calls) s_psi : 4.98s CPU 5.13s WALL ( 7645 calls) g_psi : 0.18s CPU 0.17s WALL ( 6818 calls) cdiaghg : 49.83s CPU 50.62s WALL ( 7192 calls) cegterg:over : 4.47s CPU 4.55s WALL ( 6818 calls) cegterg:upda : 3.44s CPU 3.47s WALL ( 6818 calls) cegterg:last : 2.18s CPU 2.10s WALL ( 1201 calls) cdiaghg:chol : 2.82s CPU 2.76s WALL ( 7192 calls) cdiaghg:inve : 1.82s CPU 1.86s WALL ( 7192 calls) cdiaghg:para : 2.91s CPU 2.92s WALL ( 14384 calls) Called by h_psi: h_psi:vloc : 43.39s CPU 44.40s WALL ( 7645 calls) h_psi:vnl : 11.12s CPU 11.29s WALL ( 7645 calls) add_vuspsi : 5.80s CPU 5.95s WALL ( 7645 calls) General routines calbec : 5.30s CPU 5.32s WALL ( 7645 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.70s CPU 41.52s WALL ( 813896 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.19s WALL ( 748 calls) Parallel routines fft_scatter : 18.28s CPU 18.76s WALL ( 813919 calls) PWSCF : 2m20.73s CPU 2m43.19s WALL This run was terminated on: 17:11:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=