Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:23:45 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: ./ZrBeSi.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 82 30 8 7052 1584 240 Max 83 31 9 7057 1617 251 Sum 2965 1111 313 253941 57613 8861 bravais-lattice index = 14 lattice parameter (alat) = 7.0336 a.u. unit-cell volume = 585.5154 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.033560 celldm(2)= 1.000000 celldm(3)= 1.943041 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.943041 ) 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 0.514657 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Be 4.00 9.01220 Be( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 345 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0102041 0.0058913 -0.0000000), wk = 0.0028986 k( 3) = ( 0.0204082 0.0117827 -0.0000000), wk = 0.0028986 k( 4) = ( 0.0306122 0.0176740 -0.0000000), wk = 0.0028986 k( 5) = ( 0.0408163 0.0235653 -0.0000000), wk = 0.0028986 k( 6) = ( 0.0510204 0.0294566 -0.0000000), wk = 0.0028986 k( 7) = ( 0.0612245 0.0353480 -0.0000000), wk = 0.0028986 k( 8) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0028986 k( 9) = ( 0.0816327 0.0471306 -0.0000000), wk = 0.0028986 k( 10) = ( 0.0918367 0.0530220 -0.0000000), wk = 0.0028986 k( 11) = ( 0.1020408 0.0589133 -0.0000000), wk = 0.0028986 k( 12) = ( 0.1122449 0.0648046 -0.0000000), wk = 0.0028986 k( 13) = ( 0.1224490 0.0706960 -0.0000000), wk = 0.0028986 k( 14) = ( 0.1326531 0.0765873 -0.0000000), wk = 0.0028986 k( 15) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0028986 k( 16) = ( 0.1530612 0.0883699 -0.0000000), wk = 0.0028986 k( 17) = ( 0.1632653 0.0942613 -0.0000000), wk = 0.0028986 k( 18) = ( 0.1734694 0.1001526 -0.0000000), wk = 0.0028986 k( 19) = ( 0.1836735 0.1060439 -0.0000000), wk = 0.0028986 k( 20) = ( 0.1938776 0.1119353 -0.0000000), wk = 0.0028986 k( 21) = ( 0.2040816 0.1178266 -0.0000000), wk = 0.0028986 k( 22) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0028986 k( 23) = ( 0.2244898 0.1296092 -0.0000000), wk = 0.0028986 k( 24) = ( 0.2346939 0.1355006 -0.0000000), wk = 0.0028986 k( 25) = ( 0.2448980 0.1413919 -0.0000000), wk = 0.0028986 k( 26) = ( 0.2551020 0.1472832 -0.0000000), wk = 0.0028986 k( 27) = ( 0.2653061 0.1531746 -0.0000000), wk = 0.0028986 k( 28) = ( 0.2755102 0.1590659 -0.0000000), wk = 0.0028986 k( 29) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0028986 k( 30) = ( 0.2959184 0.1708486 -0.0000000), wk = 0.0028986 k( 31) = ( 0.3061224 0.1767399 -0.0000000), wk = 0.0028986 k( 32) = ( 0.3163265 0.1826312 -0.0000000), wk = 0.0028986 k( 33) = ( 0.3265306 0.1885225 -0.0000000), wk = 0.0028986 k( 34) = ( 0.3367347 0.1944139 -0.0000000), wk = 0.0028986 k( 35) = ( 0.3469388 0.2003052 -0.0000000), wk = 0.0028986 k( 36) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0028986 k( 37) = ( 0.3673469 0.2120879 -0.0000000), wk = 0.0028986 k( 38) = ( 0.3775510 0.2179792 -0.0000000), wk = 0.0028986 k( 39) = ( 0.3877551 0.2238705 -0.0000000), wk = 0.0028986 k( 40) = ( 0.3979592 0.2297618 -0.0000000), wk = 0.0028986 k( 41) = ( 0.4081633 0.2356532 -0.0000000), wk = 0.0028986 k( 42) = ( 0.4183674 0.2415445 -0.0000000), wk = 0.0028986 k( 43) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0028986 k( 44) = ( 0.4387755 0.2533272 -0.0000000), wk = 0.0028986 k( 45) = ( 0.4489796 0.2592185 -0.0000000), wk = 0.0028986 k( 46) = ( 0.4591837 0.2651098 -0.0000000), wk = 0.0028986 k( 47) = ( 0.4693878 0.2710011 -0.0000000), wk = 0.0028986 k( 48) = ( 0.4795918 0.2768925 -0.0000000), wk = 0.0028986 k( 49) = ( 0.4897959 0.2827838 -0.0000000), wk = 0.0028986 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028986 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028986 k( 52) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0028986 k( 53) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0028986 k( 54) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0028986 k( 55) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0028986 k( 56) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0028986 k( 57) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0028986 k( 58) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0028986 k( 59) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0028986 k( 60) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0028986 k( 61) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0028986 k( 62) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0028986 k( 63) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0028986 k( 64) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0028986 k( 65) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0028986 k( 66) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0028986 k( 67) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0028986 k( 68) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0028986 k( 69) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0028986 k( 70) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0028986 k( 71) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0028986 k( 72) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0028986 k( 73) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0028986 k( 74) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0028986 k( 75) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0028986 k( 76) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0028986 k( 77) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0028986 k( 78) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0028986 k( 79) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0028986 k( 80) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028986 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028986 k( 82) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0028986 k( 83) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0028986 k( 84) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0028986 k( 85) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0028986 k( 86) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0028986 k( 87) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0028986 k( 88) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0028986 k( 89) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0028986 k( 90) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0028986 k( 91) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0028986 k( 92) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0028986 k( 93) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0028986 k( 94) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0028986 k( 95) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0028986 k( 96) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0028986 k( 97) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0028986 k( 98) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0028986 k( 99) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0028986 k( 100) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0028986 k( 101) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0028986 k( 102) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0028986 k( 103) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0028986 k( 104) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0028986 k( 105) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0028986 k( 106) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0028986 k( 107) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0028986 k( 108) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0028986 k( 109) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0028986 k( 110) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0028986 k( 111) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0028986 k( 112) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0028986 k( 113) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0028986 k( 114) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0028986 k( 115) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0028986 k( 116) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0028986 k( 117) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0028986 k( 118) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0028986 k( 119) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0028986 k( 120) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0028986 k( 121) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0028986 k( 122) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0028986 k( 123) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0028986 k( 124) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0028986 k( 125) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0028986 k( 126) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0028986 k( 127) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0028986 k( 128) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0028986 k( 129) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0028986 k( 130) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0028986 k( 131) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0028986 k( 132) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0028986 k( 133) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0028986 k( 134) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0028986 k( 135) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0028986 k( 136) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0028986 k( 137) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0028986 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 140) = ( 0.0000000 0.0000000 0.0116968), wk = 0.0028986 k( 141) = ( 0.0000000 0.0000000 0.0233935), wk = 0.0028986 k( 142) = ( 0.0000000 0.0000000 0.0350903), wk = 0.0028986 k( 143) = ( 0.0000000 0.0000000 0.0467870), wk = 0.0028986 k( 144) = ( 0.0000000 0.0000000 0.0584838), wk = 0.0028986 k( 145) = ( 0.0000000 0.0000000 0.0701805), wk = 0.0028986 k( 146) = ( 0.0000000 0.0000000 0.0818773), wk = 0.0028986 k( 147) = ( 0.0000000 0.0000000 0.0935740), wk = 0.0028986 k( 148) = ( 0.0000000 0.0000000 0.1052708), wk = 0.0028986 k( 149) = ( 0.0000000 0.0000000 0.1169675), wk = 0.0028986 k( 150) = ( 0.0000000 0.0000000 0.1286643), wk = 0.0028986 k( 151) = ( 0.0000000 0.0000000 0.1403610), wk = 0.0028986 k( 152) = ( 0.0000000 0.0000000 0.1520578), wk = 0.0028986 k( 153) = ( 0.0000000 0.0000000 0.1637545), wk = 0.0028986 k( 154) = ( 0.0000000 0.0000000 0.1754513), wk = 0.0028986 k( 155) = ( 0.0000000 0.0000000 0.1871480), wk = 0.0028986 k( 156) = ( 0.0000000 0.0000000 0.1988448), wk = 0.0028986 k( 157) = ( 0.0000000 0.0000000 0.2105415), wk = 0.0028986 k( 158) = ( 0.0000000 0.0000000 0.2222383), wk = 0.0028986 k( 159) = ( 0.0000000 0.0000000 0.2339350), wk = 0.0028986 k( 160) = ( 0.0000000 0.0000000 0.2456318), wk = 0.0028986 k( 161) = ( 0.0000000 0.0000000 0.2573285), wk = 0.0028986 k( 162) = ( 0.0000000 0.0000000 0.2573285), wk = 0.0028986 k( 163) = ( 0.0102041 0.0058913 0.2573285), wk = 0.0028986 k( 164) = ( 0.0204082 0.0117827 0.2573285), wk = 0.0028986 k( 165) = ( 0.0306122 0.0176740 0.2573285), wk = 0.0028986 k( 166) = ( 0.0408163 0.0235653 0.2573285), wk = 0.0028986 k( 167) = ( 0.0510204 0.0294566 0.2573285), wk = 0.0028986 k( 168) = ( 0.0612245 0.0353480 0.2573285), wk = 0.0028986 k( 169) = ( 0.0714286 0.0412393 0.2573285), wk = 0.0028986 k( 170) = ( 0.0816327 0.0471306 0.2573285), wk = 0.0028986 k( 171) = ( 0.0918367 0.0530220 0.2573285), wk = 0.0028986 k( 172) = ( 0.1020408 0.0589133 0.2573285), wk = 0.0028986 k( 173) = ( 0.1122449 0.0648046 0.2573285), wk = 0.0028986 k( 174) = ( 0.1224490 0.0706960 0.2573285), wk = 0.0028986 k( 175) = ( 0.1326531 0.0765873 0.2573285), wk = 0.0028986 k( 176) = ( 0.1428571 0.0824786 0.2573285), wk = 0.0028986 k( 177) = ( 0.1530612 0.0883699 0.2573285), wk = 0.0028986 k( 178) = ( 0.1632653 0.0942613 0.2573285), wk = 0.0028986 k( 179) = ( 0.1734694 0.1001526 0.2573285), wk = 0.0028986 k( 180) = ( 0.1836735 0.1060439 0.2573285), wk = 0.0028986 k( 181) = ( 0.1938776 0.1119353 0.2573285), wk = 0.0028986 k( 182) = ( 0.2040816 0.1178266 0.2573285), wk = 0.0028986 k( 183) = ( 0.2142857 0.1237179 0.2573285), wk = 0.0028986 k( 184) = ( 0.2244898 0.1296092 0.2573285), wk = 0.0028986 k( 185) = ( 0.2346939 0.1355006 0.2573285), wk = 0.0028986 k( 186) = ( 0.2448980 0.1413919 0.2573285), wk = 0.0028986 k( 187) = ( 0.2551020 0.1472832 0.2573285), wk = 0.0028986 k( 188) = ( 0.2653061 0.1531746 0.2573285), wk = 0.0028986 k( 189) = ( 0.2755102 0.1590659 0.2573285), wk = 0.0028986 k( 190) = ( 0.2857143 0.1649572 0.2573285), wk = 0.0028986 k( 191) = ( 0.2959184 0.1708486 0.2573285), wk = 0.0028986 k( 192) = ( 0.3061224 0.1767399 0.2573285), wk = 0.0028986 k( 193) = ( 0.3163265 0.1826312 0.2573285), wk = 0.0028986 k( 194) = ( 0.3265306 0.1885225 0.2573285), wk = 0.0028986 k( 195) = ( 0.3367347 0.1944139 0.2573285), wk = 0.0028986 k( 196) = ( 0.3469388 0.2003052 0.2573285), wk = 0.0028986 k( 197) = ( 0.3571429 0.2061965 0.2573285), wk = 0.0028986 k( 198) = ( 0.3673469 0.2120879 0.2573285), wk = 0.0028986 k( 199) = ( 0.3775510 0.2179792 0.2573285), wk = 0.0028986 k( 200) = ( 0.3877551 0.2238705 0.2573285), wk = 0.0028986 k( 201) = ( 0.3979592 0.2297618 0.2573285), wk = 0.0028986 k( 202) = ( 0.4081633 0.2356532 0.2573285), wk = 0.0028986 k( 203) = ( 0.4183674 0.2415445 0.2573285), wk = 0.0028986 k( 204) = ( 0.4285714 0.2474358 0.2573285), wk = 0.0028986 k( 205) = ( 0.4387755 0.2533272 0.2573285), wk = 0.0028986 k( 206) = ( 0.4489796 0.2592185 0.2573285), wk = 0.0028986 k( 207) = ( 0.4591837 0.2651098 0.2573285), wk = 0.0028986 k( 208) = ( 0.4693878 0.2710011 0.2573285), wk = 0.0028986 k( 209) = ( 0.4795918 0.2768925 0.2573285), wk = 0.0028986 k( 210) = ( 0.4897959 0.2827838 0.2573285), wk = 0.0028986 k( 211) = ( 0.5000000 0.2886751 0.2573285), wk = 0.0028986 k( 212) = ( 0.5000000 0.2886751 0.2573285), wk = 0.0028986 k( 213) = ( 0.4942529 0.2986294 0.2573285), wk = 0.0028986 k( 214) = ( 0.4885058 0.3085838 0.2573285), wk = 0.0028986 k( 215) = ( 0.4827586 0.3185381 0.2573285), wk = 0.0028986 k( 216) = ( 0.4770115 0.3284924 0.2573285), wk = 0.0028986 k( 217) = ( 0.4712644 0.3384467 0.2573285), wk = 0.0028986 k( 218) = ( 0.4655172 0.3484010 0.2573285), wk = 0.0028986 k( 219) = ( 0.4597701 0.3583553 0.2573285), wk = 0.0028986 k( 220) = ( 0.4540230 0.3683097 0.2573285), wk = 0.0028986 k( 221) = ( 0.4482759 0.3782640 0.2573285), wk = 0.0028986 k( 222) = ( 0.4425287 0.3882183 0.2573285), wk = 0.0028986 k( 223) = ( 0.4367816 0.3981726 0.2573285), wk = 0.0028986 k( 224) = ( 0.4310345 0.4081269 0.2573285), wk = 0.0028986 k( 225) = ( 0.4252874 0.4180812 0.2573285), wk = 0.0028986 k( 226) = ( 0.4195402 0.4280355 0.2573285), wk = 0.0028986 k( 227) = ( 0.4137931 0.4379899 0.2573285), wk = 0.0028986 k( 228) = ( 0.4080460 0.4479442 0.2573285), wk = 0.0028986 k( 229) = ( 0.4022988 0.4578985 0.2573285), wk = 0.0028986 k( 230) = ( 0.3965517 0.4678528 0.2573285), wk = 0.0028986 k( 231) = ( 0.3908046 0.4778071 0.2573285), wk = 0.0028986 k( 232) = ( 0.3850575 0.4877614 0.2573285), wk = 0.0028986 k( 233) = ( 0.3793103 0.4977157 0.2573285), wk = 0.0028986 k( 234) = ( 0.3735632 0.5076701 0.2573285), wk = 0.0028986 k( 235) = ( 0.3678161 0.5176244 0.2573285), wk = 0.0028986 k( 236) = ( 0.3620690 0.5275787 0.2573285), wk = 0.0028986 k( 237) = ( 0.3563218 0.5375330 0.2573285), wk = 0.0028986 k( 238) = ( 0.3505747 0.5474873 0.2573285), wk = 0.0028986 k( 239) = ( 0.3448276 0.5574416 0.2573285), wk = 0.0028986 k( 240) = ( 0.3390805 0.5673960 0.2573285), wk = 0.0028986 k( 241) = ( 0.3333333 0.5773503 0.2573285), wk = 0.0028986 k( 242) = ( 0.3333333 0.5773503 0.2573285), wk = 0.0028986 k( 243) = ( 0.3274854 0.5672213 0.2573285), wk = 0.0028986 k( 244) = ( 0.3216374 0.5570924 0.2573285), wk = 0.0028986 k( 245) = ( 0.3157895 0.5469634 0.2573285), wk = 0.0028986 k( 246) = ( 0.3099415 0.5368345 0.2573285), wk = 0.0028986 k( 247) = ( 0.3040936 0.5267055 0.2573285), wk = 0.0028986 k( 248) = ( 0.2982456 0.5165765 0.2573285), wk = 0.0028986 k( 249) = ( 0.2923977 0.5064476 0.2573285), wk = 0.0028986 k( 250) = ( 0.2865497 0.4963187 0.2573285), wk = 0.0028986 k( 251) = ( 0.2807018 0.4861897 0.2573285), wk = 0.0028986 k( 252) = ( 0.2748538 0.4760607 0.2573285), wk = 0.0028986 k( 253) = ( 0.2690058 0.4659318 0.2573285), wk = 0.0028986 k( 254) = ( 0.2631579 0.4558028 0.2573285), wk = 0.0028986 k( 255) = ( 0.2573099 0.4456739 0.2573285), wk = 0.0028986 k( 256) = ( 0.2514620 0.4355449 0.2573285), wk = 0.0028986 k( 257) = ( 0.2456140 0.4254160 0.2573285), wk = 0.0028986 k( 258) = ( 0.2397661 0.4152870 0.2573285), wk = 0.0028986 k( 259) = ( 0.2339181 0.4051581 0.2573285), wk = 0.0028986 k( 260) = ( 0.2280702 0.3950291 0.2573285), wk = 0.0028986 k( 261) = ( 0.2222222 0.3849002 0.2573285), wk = 0.0028986 k( 262) = ( 0.2163743 0.3747712 0.2573285), wk = 0.0028986 k( 263) = ( 0.2105263 0.3646423 0.2573285), wk = 0.0028986 k( 264) = ( 0.2046784 0.3545133 0.2573285), wk = 0.0028986 k( 265) = ( 0.1988304 0.3443844 0.2573285), wk = 0.0028986 k( 266) = ( 0.1929825 0.3342554 0.2573285), wk = 0.0028986 k( 267) = ( 0.1871345 0.3241265 0.2573285), wk = 0.0028986 k( 268) = ( 0.1812865 0.3139975 0.2573285), wk = 0.0028986 k( 269) = ( 0.1754386 0.3038686 0.2573285), wk = 0.0028986 k( 270) = ( 0.1695906 0.2937396 0.2573285), wk = 0.0028986 k( 271) = ( 0.1637427 0.2836107 0.2573285), wk = 0.0028986 k( 272) = ( 0.1578947 0.2734817 0.2573285), wk = 0.0028986 k( 273) = ( 0.1520468 0.2633527 0.2573285), wk = 0.0028986 k( 274) = ( 0.1461988 0.2532238 0.2573285), wk = 0.0028986 k( 275) = ( 0.1403509 0.2430949 0.2573285), wk = 0.0028986 k( 276) = ( 0.1345029 0.2329659 0.2573285), wk = 0.0028986 k( 277) = ( 0.1286550 0.2228369 0.2573285), wk = 0.0028986 k( 278) = ( 0.1228070 0.2127080 0.2573285), wk = 0.0028986 k( 279) = ( 0.1169591 0.2025790 0.2573285), wk = 0.0028986 k( 280) = ( 0.1111111 0.1924501 0.2573285), wk = 0.0028986 k( 281) = ( 0.1052632 0.1823211 0.2573285), wk = 0.0028986 k( 282) = ( 0.0994152 0.1721922 0.2573285), wk = 0.0028986 k( 283) = ( 0.0935673 0.1620632 0.2573285), wk = 0.0028986 k( 284) = ( 0.0877193 0.1519343 0.2573285), wk = 0.0028986 k( 285) = ( 0.0818713 0.1418053 0.2573285), wk = 0.0028986 k( 286) = ( 0.0760234 0.1316764 0.2573285), wk = 0.0028986 k( 287) = ( 0.0701754 0.1215474 0.2573285), wk = 0.0028986 k( 288) = ( 0.0643275 0.1114185 0.2573285), wk = 0.0028986 k( 289) = ( 0.0584795 0.1012895 0.2573285), wk = 0.0028986 k( 290) = ( 0.0526316 0.0911606 0.2573285), wk = 0.0028986 k( 291) = ( 0.0467836 0.0810316 0.2573285), wk = 0.0028986 k( 292) = ( 0.0409357 0.0709027 0.2573285), wk = 0.0028986 k( 293) = ( 0.0350877 0.0607737 0.2573285), wk = 0.0028986 k( 294) = ( 0.0292398 0.0506448 0.2573285), wk = 0.0028986 k( 295) = ( 0.0233918 0.0405158 0.2573285), wk = 0.0028986 k( 296) = ( 0.0175439 0.0303869 0.2573285), wk = 0.0028986 k( 297) = ( 0.0116959 0.0202579 0.2573285), wk = 0.0028986 k( 298) = ( 0.0058480 0.0101289 0.2573285), wk = 0.0028986 k( 299) = ( 0.0000000 0.0000000 0.2573285), wk = 0.0028986 k( 300) = ( 0.5000000 0.2886751 0.2573285), wk = 0.0028986 k( 301) = ( 0.5000000 0.2886751 0.2456318), wk = 0.0028986 k( 302) = ( 0.5000000 0.2886751 0.2339350), wk = 0.0028986 k( 303) = ( 0.5000000 0.2886751 0.2222383), wk = 0.0028986 k( 304) = ( 0.5000000 0.2886751 0.2105415), wk = 0.0028986 k( 305) = ( 0.5000000 0.2886751 0.1988448), wk = 0.0028986 k( 306) = ( 0.5000000 0.2886751 0.1871480), wk = 0.0028986 k( 307) = ( 0.5000000 0.2886751 0.1754513), wk = 0.0028986 k( 308) = ( 0.5000000 0.2886751 0.1637545), wk = 0.0028986 k( 309) = ( 0.5000000 0.2886751 0.1520578), wk = 0.0028986 k( 310) = ( 0.5000000 0.2886751 0.1403610), wk = 0.0028986 k( 311) = ( 0.5000000 0.2886751 0.1286643), wk = 0.0028986 k( 312) = ( 0.5000000 0.2886751 0.1169675), wk = 0.0028986 k( 313) = ( 0.5000000 0.2886751 0.1052708), wk = 0.0028986 k( 314) = ( 0.5000000 0.2886751 0.0935740), wk = 0.0028986 k( 315) = ( 0.5000000 0.2886751 0.0818773), wk = 0.0028986 k( 316) = ( 0.5000000 0.2886751 0.0701805), wk = 0.0028986 k( 317) = ( 0.5000000 0.2886751 0.0584838), wk = 0.0028986 k( 318) = ( 0.5000000 0.2886751 0.0467870), wk = 0.0028986 k( 319) = ( 0.5000000 0.2886751 0.0350903), wk = 0.0028986 k( 320) = ( 0.5000000 0.2886751 0.0233935), wk = 0.0028986 k( 321) = ( 0.5000000 0.2886751 0.0116968), wk = 0.0028986 k( 322) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028986 k( 323) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028986 k( 324) = ( 0.3333333 0.5773503 0.0116968), wk = 0.0028986 k( 325) = ( 0.3333333 0.5773503 0.0233935), wk = 0.0028986 k( 326) = ( 0.3333333 0.5773503 0.0350903), wk = 0.0028986 k( 327) = ( 0.3333333 0.5773503 0.0467870), wk = 0.0028986 k( 328) = ( 0.3333333 0.5773503 0.0584838), wk = 0.0028986 k( 329) = ( 0.3333333 0.5773503 0.0701805), wk = 0.0028986 k( 330) = ( 0.3333333 0.5773503 0.0818773), wk = 0.0028986 k( 331) = ( 0.3333333 0.5773503 0.0935740), wk = 0.0028986 k( 332) = ( 0.3333333 0.5773503 0.1052708), wk = 0.0028986 k( 333) = ( 0.3333333 0.5773503 0.1169675), wk = 0.0028986 k( 334) = ( 0.3333333 0.5773503 0.1286643), wk = 0.0028986 k( 335) = ( 0.3333333 0.5773503 0.1403610), wk = 0.0028986 k( 336) = ( 0.3333333 0.5773503 0.1520578), wk = 0.0028986 k( 337) = ( 0.3333333 0.5773503 0.1637545), wk = 0.0028986 k( 338) = ( 0.3333333 0.5773503 0.1754513), wk = 0.0028986 k( 339) = ( 0.3333333 0.5773503 0.1871480), wk = 0.0028986 k( 340) = ( 0.3333333 0.5773503 0.1988448), wk = 0.0028986 k( 341) = ( 0.3333333 0.5773503 0.2105415), wk = 0.0028986 k( 342) = ( 0.3333333 0.5773503 0.2222383), wk = 0.0028986 k( 343) = ( 0.3333333 0.5773503 0.2339350), wk = 0.0028986 k( 344) = ( 0.3333333 0.5773503 0.2456318), wk = 0.0028986 k( 345) = ( 0.3333333 0.5773503 0.2573285), wk = 0.0028986 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0102041 -0.0000000 0.0000000), wk = 0.0028986 k( 3) = ( 0.0204082 -0.0000000 0.0000000), wk = 0.0028986 k( 4) = ( 0.0306122 -0.0000000 0.0000000), wk = 0.0028986 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0028986 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0028986 k( 7) = ( 0.0612245 -0.0000000 0.0000000), wk = 0.0028986 k( 8) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0028986 k( 9) = ( 0.0816327 -0.0000000 0.0000000), wk = 0.0028986 k( 10) = ( 0.0918367 -0.0000000 0.0000000), wk = 0.0028986 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0028986 k( 12) = ( 0.1122449 -0.0000000 0.0000000), wk = 0.0028986 k( 13) = ( 0.1224490 -0.0000000 0.0000000), wk = 0.0028986 k( 14) = ( 0.1326531 -0.0000000 0.0000000), wk = 0.0028986 k( 15) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0028986 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0028986 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0028986 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0028986 k( 19) = ( 0.1836735 -0.0000000 -0.0000000), wk = 0.0028986 k( 20) = ( 0.1938776 -0.0000000 0.0000000), wk = 0.0028986 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0028986 k( 22) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0028986 k( 23) = ( 0.2244898 -0.0000000 0.0000000), wk = 0.0028986 k( 24) = ( 0.2346939 0.0000000 0.0000000), wk = 0.0028986 k( 25) = ( 0.2448980 -0.0000000 0.0000000), wk = 0.0028986 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0028986 k( 27) = ( 0.2653061 -0.0000000 0.0000000), wk = 0.0028986 k( 28) = ( 0.2755102 -0.0000000 0.0000000), wk = 0.0028986 k( 29) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0028986 k( 30) = ( 0.2959184 -0.0000000 0.0000000), wk = 0.0028986 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0028986 k( 32) = ( 0.3163265 -0.0000000 0.0000000), wk = 0.0028986 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0028986 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0028986 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0028986 k( 36) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0028986 k( 37) = ( 0.3673469 -0.0000000 -0.0000000), wk = 0.0028986 k( 38) = ( 0.3775510 -0.0000000 0.0000000), wk = 0.0028986 k( 39) = ( 0.3877551 -0.0000000 0.0000000), wk = 0.0028986 k( 40) = ( 0.3979592 -0.0000000 0.0000000), wk = 0.0028986 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0028986 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0028986 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028986 k( 44) = ( 0.4387755 -0.0000000 -0.0000000), wk = 0.0028986 k( 45) = ( 0.4489796 -0.0000000 -0.0000000), wk = 0.0028986 k( 46) = ( 0.4591837 -0.0000000 -0.0000000), wk = 0.0028986 k( 47) = ( 0.4693878 0.0000000 0.0000000), wk = 0.0028986 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0028986 k( 49) = ( 0.4897959 -0.0000000 0.0000000), wk = 0.0028986 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028986 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028986 k( 52) = ( 0.4942529 0.0114942 -0.0000000), wk = 0.0028986 k( 53) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0028986 k( 54) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0028986 k( 55) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0028986 k( 56) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0028986 k( 57) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0028986 k( 58) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0028986 k( 59) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0028986 k( 60) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0028986 k( 61) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0028986 k( 62) = ( 0.4367816 0.1264368 -0.0000000), wk = 0.0028986 k( 63) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0028986 k( 64) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0028986 k( 65) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0028986 k( 66) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0028986 k( 67) = ( 0.4080460 0.1839081 0.0000000), wk = 0.0028986 k( 68) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0028986 k( 69) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0028986 k( 70) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0028986 k( 71) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0028986 k( 72) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0028986 k( 73) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0028986 k( 74) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0028986 k( 75) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0028986 k( 76) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0028986 k( 77) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0028986 k( 78) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0028986 k( 79) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0028986 k( 80) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028986 k( 81) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028986 k( 82) = ( 0.3274854 0.3274854 0.0000000), wk = 0.0028986 k( 83) = ( 0.3216374 0.3216374 0.0000000), wk = 0.0028986 k( 84) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0028986 k( 85) = ( 0.3099415 0.3099415 0.0000000), wk = 0.0028986 k( 86) = ( 0.3040936 0.3040936 -0.0000000), wk = 0.0028986 k( 87) = ( 0.2982456 0.2982456 0.0000000), wk = 0.0028986 k( 88) = ( 0.2923977 0.2923977 0.0000000), wk = 0.0028986 k( 89) = ( 0.2865497 0.2865497 -0.0000000), wk = 0.0028986 k( 90) = ( 0.2807018 0.2807018 -0.0000000), wk = 0.0028986 k( 91) = ( 0.2748538 0.2748538 0.0000000), wk = 0.0028986 k( 92) = ( 0.2690058 0.2690058 0.0000000), wk = 0.0028986 k( 93) = ( 0.2631579 0.2631579 0.0000000), wk = 0.0028986 k( 94) = ( 0.2573099 0.2573099 0.0000000), wk = 0.0028986 k( 95) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0028986 k( 96) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0028986 k( 97) = ( 0.2397661 0.2397661 0.0000000), wk = 0.0028986 k( 98) = ( 0.2339181 0.2339181 0.0000000), wk = 0.0028986 k( 99) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0028986 k( 100) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0028986 k( 101) = ( 0.2163743 0.2163743 0.0000000), wk = 0.0028986 k( 102) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0028986 k( 103) = ( 0.2046784 0.2046784 0.0000000), wk = 0.0028986 k( 104) = ( 0.1988304 0.1988304 0.0000000), wk = 0.0028986 k( 105) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0028986 k( 106) = ( 0.1871345 0.1871345 0.0000000), wk = 0.0028986 k( 107) = ( 0.1812865 0.1812865 0.0000000), wk = 0.0028986 k( 108) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0028986 k( 109) = ( 0.1695906 0.1695906 0.0000000), wk = 0.0028986 k( 110) = ( 0.1637427 0.1637427 0.0000000), wk = 0.0028986 k( 111) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0028986 k( 112) = ( 0.1520468 0.1520468 0.0000000), wk = 0.0028986 k( 113) = ( 0.1461988 0.1461988 0.0000000), wk = 0.0028986 k( 114) = ( 0.1403509 0.1403509 0.0000000), wk = 0.0028986 k( 115) = ( 0.1345029 0.1345029 0.0000000), wk = 0.0028986 k( 116) = ( 0.1286550 0.1286550 0.0000000), wk = 0.0028986 k( 117) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0028986 k( 118) = ( 0.1169591 0.1169591 0.0000000), wk = 0.0028986 k( 119) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0028986 k( 120) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0028986 k( 121) = ( 0.0994152 0.0994152 0.0000000), wk = 0.0028986 k( 122) = ( 0.0935673 0.0935673 0.0000000), wk = 0.0028986 k( 123) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0028986 k( 124) = ( 0.0818713 0.0818714 0.0000000), wk = 0.0028986 k( 125) = ( 0.0760234 0.0760234 0.0000000), wk = 0.0028986 k( 126) = ( 0.0701754 0.0701754 0.0000000), wk = 0.0028986 k( 127) = ( 0.0643275 0.0643275 0.0000000), wk = 0.0028986 k( 128) = ( 0.0584795 0.0584795 0.0000000), wk = 0.0028986 k( 129) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0028986 k( 130) = ( 0.0467836 0.0467836 0.0000000), wk = 0.0028986 k( 131) = ( 0.0409357 0.0409357 0.0000000), wk = 0.0028986 k( 132) = ( 0.0350877 0.0350877 0.0000000), wk = 0.0028986 k( 133) = ( 0.0292398 0.0292398 0.0000000), wk = 0.0028986 k( 134) = ( 0.0233918 0.0233918 0.0000000), wk = 0.0028986 k( 135) = ( 0.0175439 0.0175439 0.0000000), wk = 0.0028986 k( 136) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0028986 k( 137) = ( 0.0058480 0.0058479 0.0000000), wk = 0.0028986 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 140) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0028986 k( 141) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0028986 k( 142) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0028986 k( 143) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0028986 k( 144) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0028986 k( 145) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0028986 k( 146) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0028986 k( 147) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0028986 k( 148) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0028986 k( 149) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0028986 k( 150) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028986 k( 151) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0028986 k( 152) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0028986 k( 153) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0028986 k( 154) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0028986 k( 155) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0028986 k( 156) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0028986 k( 157) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0028986 k( 158) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0028986 k( 159) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0028986 k( 160) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0028986 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028986 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028986 k( 163) = ( 0.0102041 -0.0000000 0.5000000), wk = 0.0028986 k( 164) = ( 0.0204082 -0.0000000 0.5000000), wk = 0.0028986 k( 165) = ( 0.0306122 -0.0000000 0.5000000), wk = 0.0028986 k( 166) = ( 0.0408163 0.0000000 0.5000000), wk = 0.0028986 k( 167) = ( 0.0510204 0.0000000 0.5000000), wk = 0.0028986 k( 168) = ( 0.0612245 -0.0000000 0.5000000), wk = 0.0028986 k( 169) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0028986 k( 170) = ( 0.0816327 -0.0000000 0.5000000), wk = 0.0028986 k( 171) = ( 0.0918367 -0.0000000 0.5000000), wk = 0.0028986 k( 172) = ( 0.1020408 0.0000000 0.5000000), wk = 0.0028986 k( 173) = ( 0.1122449 -0.0000000 0.5000000), wk = 0.0028986 k( 174) = ( 0.1224490 -0.0000000 0.5000000), wk = 0.0028986 k( 175) = ( 0.1326531 -0.0000000 0.5000000), wk = 0.0028986 k( 176) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0028986 k( 177) = ( 0.1530612 0.0000000 0.5000000), wk = 0.0028986 k( 178) = ( 0.1632653 0.0000000 0.5000000), wk = 0.0028986 k( 179) = ( 0.1734694 0.0000000 0.5000000), wk = 0.0028986 k( 180) = ( 0.1836735 -0.0000000 0.5000000), wk = 0.0028986 k( 181) = ( 0.1938776 -0.0000000 0.5000000), wk = 0.0028986 k( 182) = ( 0.2040816 0.0000000 0.5000000), wk = 0.0028986 k( 183) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0028986 k( 184) = ( 0.2244898 -0.0000000 0.5000000), wk = 0.0028986 k( 185) = ( 0.2346939 0.0000000 0.5000000), wk = 0.0028986 k( 186) = ( 0.2448980 -0.0000000 0.5000000), wk = 0.0028986 k( 187) = ( 0.2551020 0.0000000 0.5000000), wk = 0.0028986 k( 188) = ( 0.2653061 -0.0000000 0.5000000), wk = 0.0028986 k( 189) = ( 0.2755102 -0.0000000 0.5000000), wk = 0.0028986 k( 190) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0028986 k( 191) = ( 0.2959184 -0.0000000 0.5000000), wk = 0.0028986 k( 192) = ( 0.3061224 0.0000000 0.5000000), wk = 0.0028986 k( 193) = ( 0.3163265 -0.0000000 0.5000000), wk = 0.0028986 k( 194) = ( 0.3265306 0.0000000 0.5000000), wk = 0.0028986 k( 195) = ( 0.3367347 0.0000000 0.5000000), wk = 0.0028986 k( 196) = ( 0.3469388 0.0000000 0.5000000), wk = 0.0028986 k( 197) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0028986 k( 198) = ( 0.3673469 -0.0000000 0.5000000), wk = 0.0028986 k( 199) = ( 0.3775510 -0.0000000 0.5000000), wk = 0.0028986 k( 200) = ( 0.3877551 -0.0000000 0.5000000), wk = 0.0028986 k( 201) = ( 0.3979592 -0.0000000 0.5000000), wk = 0.0028986 k( 202) = ( 0.4081633 0.0000000 0.5000000), wk = 0.0028986 k( 203) = ( 0.4183674 0.0000000 0.5000000), wk = 0.0028986 k( 204) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0028986 k( 205) = ( 0.4387755 -0.0000000 0.5000000), wk = 0.0028986 k( 206) = ( 0.4489796 -0.0000000 0.5000000), wk = 0.0028986 k( 207) = ( 0.4591837 -0.0000000 0.5000000), wk = 0.0028986 k( 208) = ( 0.4693878 0.0000000 0.5000000), wk = 0.0028986 k( 209) = ( 0.4795918 0.0000000 0.5000000), wk = 0.0028986 k( 210) = ( 0.4897959 -0.0000000 0.5000000), wk = 0.0028986 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 k( 213) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0028986 k( 214) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0028986 k( 215) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0028986 k( 216) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0028986 k( 217) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0028986 k( 218) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0028986 k( 219) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0028986 k( 220) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0028986 k( 221) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0028986 k( 222) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0028986 k( 223) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0028986 k( 224) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0028986 k( 225) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0028986 k( 226) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0028986 k( 227) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0028986 k( 228) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0028986 k( 229) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0028986 k( 230) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0028986 k( 231) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0028986 k( 232) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0028986 k( 233) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0028986 k( 234) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0028986 k( 235) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0028986 k( 236) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0028986 k( 237) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0028986 k( 238) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0028986 k( 239) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0028986 k( 240) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0028986 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028986 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028986 k( 243) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0028986 k( 244) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0028986 k( 245) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0028986 k( 246) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0028986 k( 247) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0028986 k( 248) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0028986 k( 249) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0028986 k( 250) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0028986 k( 251) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0028986 k( 252) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0028986 k( 253) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0028986 k( 254) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0028986 k( 255) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0028986 k( 256) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0028986 k( 257) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0028986 k( 258) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0028986 k( 259) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0028986 k( 260) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0028986 k( 261) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0028986 k( 262) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0028986 k( 263) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0028986 k( 264) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0028986 k( 265) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0028986 k( 266) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0028986 k( 267) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0028986 k( 268) = ( 0.1812865 0.1812865 0.5000000), wk = 0.0028986 k( 269) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0028986 k( 270) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0028986 k( 271) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0028986 k( 272) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0028986 k( 273) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0028986 k( 274) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0028986 k( 275) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0028986 k( 276) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0028986 k( 277) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0028986 k( 278) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0028986 k( 279) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0028986 k( 280) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0028986 k( 281) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0028986 k( 282) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0028986 k( 283) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0028986 k( 284) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0028986 k( 285) = ( 0.0818713 0.0818714 0.5000000), wk = 0.0028986 k( 286) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0028986 k( 287) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0028986 k( 288) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0028986 k( 289) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0028986 k( 290) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0028986 k( 291) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0028986 k( 292) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0028986 k( 293) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0028986 k( 294) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0028986 k( 295) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0028986 k( 296) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0028986 k( 297) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0028986 k( 298) = ( 0.0058480 0.0058479 0.5000000), wk = 0.0028986 k( 299) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028986 k( 300) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 k( 301) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0028986 k( 302) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0028986 k( 303) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0028986 k( 304) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0028986 k( 305) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0028986 k( 306) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0028986 k( 307) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0028986 k( 308) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0028986 k( 309) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0028986 k( 310) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0028986 k( 311) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028986 k( 312) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0028986 k( 313) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0028986 k( 314) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0028986 k( 315) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0028986 k( 316) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0028986 k( 317) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0028986 k( 318) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0028986 k( 319) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0028986 k( 320) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0028986 k( 321) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0028986 k( 322) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028986 k( 323) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028986 k( 324) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0028986 k( 325) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0028986 k( 326) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0028986 k( 327) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0028986 k( 328) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0028986 k( 329) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0028986 k( 330) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0028986 k( 331) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0028986 k( 332) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0028986 k( 333) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0028986 k( 334) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028986 k( 335) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0028986 k( 336) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0028986 k( 337) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0028986 k( 338) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0028986 k( 339) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0028986 k( 340) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0028986 k( 341) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0028986 k( 342) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0028986 k( 343) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0028986 k( 344) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0028986 k( 345) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028986 Dense grid: 253941 G-vectors FFT dimensions: ( 72, 72, 135) Smooth grid: 57613 G-vectors FFT dimensions: ( 45, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 428, 32) NL pseudopotentials 0.42 Mb ( 214, 128) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 7054) G-vector shells 0.02 Mb ( 3059) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 428, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.12 Mb ( 128, 2, 32) The potential is recalculated from file : ./ZrBeSi.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.3 secs Computing kpt #: 19 total cpu time spent up to now is 11.9 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.7 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.5 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 19.3 secs Computing kpt #: 31 total cpu time spent up to now is 19.9 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.5 secs Computing kpt #: 36 total cpu time spent up to now is 23.1 secs Computing kpt #: 37 total cpu time spent up to now is 23.7 secs Computing kpt #: 38 total cpu time spent up to now is 24.3 secs Computing kpt #: 39 total cpu time spent up to now is 24.9 secs Computing kpt #: 40 total cpu time spent up to now is 25.4 secs Computing kpt #: 41 total cpu time spent up to now is 26.0 secs Computing kpt #: 42 total cpu time spent up to now is 26.7 secs Computing kpt #: 43 total cpu time spent up to now is 27.3 secs Computing kpt #: 44 total cpu time spent up to now is 28.0 secs Computing kpt #: 45 total cpu time spent up to now is 28.6 secs Computing kpt #: 46 total cpu time spent up to now is 29.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.0 secs Computing kpt #: 48 total cpu time spent up to now is 30.7 secs Computing kpt #: 49 total cpu time spent up to now is 31.5 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.3 secs Computing kpt #: 52 total cpu time spent up to now is 34.0 secs Computing kpt #: 53 total cpu time spent up to now is 34.8 secs Computing kpt #: 54 total cpu time spent up to now is 35.5 secs Computing kpt #: 55 total cpu time spent up to now is 36.2 secs Computing kpt #: 56 total cpu time spent up to now is 37.0 secs Computing kpt #: 57 total cpu time spent up to now is 37.5 secs Computing kpt #: 58 total cpu time spent up to now is 38.1 secs Computing kpt #: 59 total cpu time spent up to now is 38.7 secs Computing kpt #: 60 total cpu time spent up to now is 39.2 secs Computing kpt #: 61 total cpu time spent up to now is 39.8 secs Computing kpt #: 62 total cpu time spent up to now is 40.4 secs Computing kpt #: 63 total cpu time spent up to now is 41.3 secs Computing kpt #: 64 total cpu time spent up to now is 42.2 secs Computing kpt #: 65 total cpu time spent up to now is 43.1 secs Computing kpt #: 66 total cpu time spent up to now is 43.7 secs Computing kpt #: 67 total cpu time spent up to now is 44.3 secs Computing kpt #: 68 total cpu time spent up to now is 44.8 secs Computing kpt #: 69 total cpu time spent up to now is 45.4 secs Computing kpt #: 70 total cpu time spent up to now is 45.9 secs Computing kpt #: 71 total cpu time spent up to now is 46.5 secs Computing kpt #: 72 total cpu time spent up to now is 47.0 secs Computing kpt #: 73 total cpu time spent up to now is 47.6 secs Computing kpt #: 74 total cpu time spent up to now is 48.1 secs Computing kpt #: 75 total cpu time spent up to now is 48.7 secs Computing kpt #: 76 total cpu time spent up to now is 49.2 secs Computing kpt #: 77 total cpu time spent up to now is 49.8 secs Computing kpt #: 78 total cpu time spent up to now is 50.3 secs Computing kpt #: 79 total cpu time spent up to now is 50.8 secs Computing kpt #: 80 total cpu time spent up to now is 51.4 secs Computing kpt #: 81 total cpu time spent up to now is 51.9 secs Computing kpt #: 82 total cpu time spent up to now is 52.4 secs Computing kpt #: 83 total cpu time spent up to now is 53.0 secs Computing kpt #: 84 total cpu time spent up to now is 53.5 secs Computing kpt #: 85 total cpu time spent up to now is 54.1 secs Computing kpt #: 86 total cpu time spent up to now is 54.6 secs Computing kpt #: 87 total cpu time spent up to now is 55.2 secs Computing kpt #: 88 total cpu time spent up to now is 55.7 secs Computing kpt #: 89 total cpu time spent up to now is 56.3 secs Computing kpt #: 90 total cpu time spent up to now is 56.9 secs Computing kpt #: 91 total cpu time spent up to now is 57.4 secs Computing kpt #: 92 total cpu time spent up to now is 58.0 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 59.2 secs Computing kpt #: 95 total cpu time spent up to now is 59.9 secs Computing kpt #: 96 total cpu time spent up to now is 60.5 secs Computing kpt #: 97 total cpu time spent up to now is 61.1 secs Computing kpt #: 98 total cpu time spent up to now is 61.8 secs Computing kpt #: 99 total cpu time spent up to now is 62.4 secs Computing kpt #: 100 total cpu time spent up to now is 63.1 secs Computing kpt #: 101 total cpu time spent up to now is 63.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 64.9 secs Computing kpt #: 104 total cpu time spent up to now is 65.5 secs Computing kpt #: 105 total cpu time spent up to now is 66.1 secs Computing kpt #: 106 total cpu time spent up to now is 66.7 secs Computing kpt #: 107 total cpu time spent up to now is 67.3 secs Computing kpt #: 108 total cpu time spent up to now is 67.9 secs Computing kpt #: 109 total cpu time spent up to now is 68.5 secs Computing kpt #: 110 total cpu time spent up to now is 69.1 secs Computing kpt #: 111 total cpu time spent up to now is 69.7 secs Computing kpt #: 112 total cpu time spent up to now is 70.3 secs Computing kpt #: 113 total cpu time spent up to now is 70.9 secs Computing kpt #: 114 total cpu time spent up to now is 71.5 secs Computing kpt #: 115 total cpu time spent up to now is 72.0 secs Computing kpt #: 116 total cpu time spent up to now is 72.7 secs Computing kpt #: 117 total cpu time spent up to now is 73.4 secs Computing kpt #: 118 total cpu time spent up to now is 74.1 secs Computing kpt #: 119 total cpu time spent up to now is 74.9 secs Computing kpt #: 120 total cpu time spent up to now is 75.6 secs Computing kpt #: 121 total cpu time spent up to now is 76.1 secs Computing kpt #: 122 total cpu time spent up to now is 76.7 secs Computing kpt #: 123 total cpu time spent up to now is 77.2 secs Computing kpt #: 124 total cpu time spent up to now is 77.7 secs Computing kpt #: 125 total cpu time spent up to now is 78.2 secs Computing kpt #: 126 total cpu time spent up to now is 78.7 secs Computing kpt #: 127 total cpu time spent up to now is 79.2 secs Computing kpt #: 128 total cpu time spent up to now is 79.6 secs Computing kpt #: 129 total cpu time spent up to now is 80.1 secs Computing kpt #: 130 total cpu time spent up to now is 80.6 secs Computing kpt #: 131 total cpu time spent up to now is 81.1 secs Computing kpt #: 132 total cpu time spent up to now is 81.6 secs Computing kpt #: 133 total cpu time spent up to now is 82.2 secs Computing kpt #: 134 total cpu time spent up to now is 82.8 secs Computing kpt #: 135 total cpu time spent up to now is 83.5 secs Computing kpt #: 136 total cpu time spent up to now is 84.2 secs Computing kpt #: 137 total cpu time spent up to now is 84.8 secs Computing kpt #: 138 total cpu time spent up to now is 85.4 secs Computing kpt #: 139 total cpu time spent up to now is 86.1 secs Computing kpt #: 140 total cpu time spent up to now is 86.7 secs Computing kpt #: 141 total cpu time spent up to now is 87.3 secs Computing kpt #: 142 total cpu time spent up to now is 87.8 secs Computing kpt #: 143 total cpu time spent up to now is 88.5 secs Computing kpt #: 144 total cpu time spent up to now is 89.3 secs Computing kpt #: 145 total cpu time spent up to now is 90.0 secs Computing kpt #: 146 total cpu time spent up to now is 90.7 secs Computing kpt #: 147 total cpu time spent up to now is 91.4 secs Computing kpt #: 148 total cpu time spent up to now is 92.1 secs Computing kpt #: 149 total cpu time spent up to now is 92.9 secs Computing kpt #: 150 total cpu time spent up to now is 93.6 secs Computing kpt #: 151 total cpu time spent up to now is 94.3 secs Computing kpt #: 152 total cpu time spent up to now is 95.0 secs Computing kpt #: 153 total cpu time spent up to now is 95.9 secs Computing kpt #: 154 total cpu time spent up to now is 96.4 secs Computing kpt #: 155 total cpu time spent up to now is 96.9 secs Computing kpt #: 156 total cpu time spent up to now is 97.3 secs Computing kpt #: 157 total cpu time spent up to now is 97.8 secs Computing kpt #: 158 total cpu time spent up to now is 98.3 secs Computing kpt #: 159 total cpu time spent up to now is 98.8 secs Computing kpt #: 160 total cpu time spent up to now is 99.3 secs Computing kpt #: 161 total cpu time spent up to now is 99.7 secs Computing kpt #: 162 total cpu time spent up to now is 100.2 secs Computing kpt #: 163 total cpu time spent up to now is 100.7 secs Computing kpt #: 164 total cpu time spent up to now is 101.2 secs Computing kpt #: 165 total cpu time spent up to now is 101.7 secs Computing kpt #: 166 total cpu time spent up to now is 102.1 secs Computing kpt #: 167 total cpu time spent up to now is 102.6 secs Computing kpt #: 168 total cpu time spent up to now is 103.1 secs Computing kpt #: 169 total cpu time spent up to now is 103.6 secs Computing kpt #: 170 total cpu time spent up to now is 104.1 secs Computing kpt #: 171 total cpu time spent up to now is 104.6 secs Computing kpt #: 172 total cpu time spent up to now is 105.0 secs Computing kpt #: 173 total cpu time spent up to now is 105.5 secs Computing kpt #: 174 total cpu time spent up to now is 106.0 secs Computing kpt #: 175 total cpu time spent up to now is 106.5 secs Computing kpt #: 176 total cpu time spent up to now is 107.0 secs Computing kpt #: 177 total cpu time spent up to now is 107.5 secs Computing kpt #: 178 total cpu time spent up to now is 108.0 secs Computing kpt #: 179 total cpu time spent up to now is 108.5 secs Computing kpt #: 180 total cpu time spent up to now is 108.9 secs Computing kpt #: 181 total cpu time spent up to now is 109.4 secs Computing kpt #: 182 total cpu time spent up to now is 109.9 secs Computing kpt #: 183 total cpu time spent up to now is 110.4 secs Computing kpt #: 184 total cpu time spent up to now is 110.9 secs Computing kpt #: 185 total cpu time spent up to now is 111.4 secs Computing kpt #: 186 total cpu time spent up to now is 111.9 secs Computing kpt #: 187 total cpu time spent up to now is 112.3 secs Computing kpt #: 188 total cpu time spent up to now is 112.8 secs Computing kpt #: 189 total cpu time spent up to now is 113.3 secs Computing kpt #: 190 total cpu time spent up to now is 113.8 secs Computing kpt #: 191 total cpu time spent up to now is 114.2 secs Computing kpt #: 192 total cpu time spent up to now is 114.7 secs Computing kpt #: 193 total cpu time spent up to now is 115.2 secs Computing kpt #: 194 total cpu time spent up to now is 115.7 secs Computing kpt #: 195 total cpu time spent up to now is 116.1 secs Computing kpt #: 196 total cpu time spent up to now is 116.6 secs Computing kpt #: 197 total cpu time spent up to now is 117.1 secs Computing kpt #: 198 total cpu time spent up to now is 117.6 secs Computing kpt #: 199 total cpu time spent up to now is 118.1 secs Computing kpt #: 200 total cpu time spent up to now is 118.5 secs Computing kpt #: 201 total cpu time spent up to now is 119.0 secs Computing kpt #: 202 total cpu time spent up to now is 119.5 secs Computing kpt #: 203 total cpu time spent up to now is 120.0 secs Computing kpt #: 204 total cpu time spent up to now is 120.5 secs Computing kpt #: 205 total cpu time spent up to now is 121.0 secs Computing kpt #: 206 total cpu time spent up to now is 121.5 secs Computing kpt #: 207 total cpu time spent up to now is 122.1 secs Computing kpt #: 208 total cpu time spent up to now is 122.6 secs Computing kpt #: 209 total cpu time spent up to now is 123.2 secs Computing kpt #: 210 total cpu time spent up to now is 123.8 secs Computing kpt #: 211 total cpu time spent up to now is 124.4 secs Computing kpt #: 212 total cpu time spent up to now is 125.0 secs Computing kpt #: 213 total cpu time spent up to now is 125.5 secs Computing kpt #: 214 total cpu time spent up to now is 126.1 secs Computing kpt #: 215 total cpu time spent up to now is 126.7 secs Computing kpt #: 216 total cpu time spent up to now is 127.3 secs Computing kpt #: 217 total cpu time spent up to now is 127.8 secs Computing kpt #: 218 total cpu time spent up to now is 128.4 secs Computing kpt #: 219 total cpu time spent up to now is 129.0 secs Computing kpt #: 220 total cpu time spent up to now is 129.6 secs Computing kpt #: 221 total cpu time spent up to now is 130.2 secs Computing kpt #: 222 total cpu time spent up to now is 130.8 secs Computing kpt #: 223 total cpu time spent up to now is 131.4 secs Computing kpt #: 224 total cpu time spent up to now is 132.0 secs Computing kpt #: 225 total cpu time spent up to now is 132.6 secs Computing kpt #: 226 total cpu time spent up to now is 133.1 secs Computing kpt #: 227 total cpu time spent up to now is 133.7 secs Computing kpt #: 228 total cpu time spent up to now is 134.3 secs Computing kpt #: 229 total cpu time spent up to now is 134.8 secs Computing kpt #: 230 total cpu time spent up to now is 135.4 secs Computing kpt #: 231 total cpu time spent up to now is 136.0 secs Computing kpt #: 232 total cpu time spent up to now is 136.6 secs Computing kpt #: 233 total cpu time spent up to now is 137.1 secs Computing kpt #: 234 total cpu time spent up to now is 137.7 secs Computing kpt #: 235 total cpu time spent up to now is 138.3 secs Computing kpt #: 236 total cpu time spent up to now is 138.9 secs Computing kpt #: 237 total cpu time spent up to now is 139.5 secs Computing kpt #: 238 total cpu time spent up to now is 140.0 secs Computing kpt #: 239 total cpu time spent up to now is 140.6 secs Computing kpt #: 240 total cpu time spent up to now is 141.2 secs Computing kpt #: 241 total cpu time spent up to now is 141.7 secs Computing kpt #: 242 total cpu time spent up to now is 142.3 secs Computing kpt #: 243 total cpu time spent up to now is 143.0 secs Computing kpt #: 244 total cpu time spent up to now is 143.5 secs Computing kpt #: 245 total cpu time spent up to now is 144.1 secs Computing kpt #: 246 total cpu time spent up to now is 144.7 secs Computing kpt #: 247 total cpu time spent up to now is 145.2 secs Computing kpt #: 248 total cpu time spent up to now is 145.8 secs Computing kpt #: 249 total cpu time spent up to now is 146.4 secs Computing kpt #: 250 total cpu time spent up to now is 147.0 secs Computing kpt #: 251 total cpu time spent up to now is 147.6 secs Computing kpt #: 252 total cpu time spent up to now is 148.1 secs Computing kpt #: 253 total cpu time spent up to now is 148.7 secs Computing kpt #: 254 total cpu time spent up to now is 149.3 secs Computing kpt #: 255 total cpu time spent up to now is 149.9 secs Computing kpt #: 256 total cpu time spent up to now is 150.4 secs Computing kpt #: 257 total cpu time spent up to now is 151.0 secs Computing kpt #: 258 total cpu time spent up to now is 151.6 secs Computing kpt #: 259 total cpu time spent up to now is 152.2 secs Computing kpt #: 260 total cpu time spent up to now is 152.8 secs Computing kpt #: 261 total cpu time spent up to now is 153.4 secs Computing kpt #: 262 total cpu time spent up to now is 154.1 secs Computing kpt #: 263 total cpu time spent up to now is 154.7 secs Computing kpt #: 264 total cpu time spent up to now is 155.3 secs Computing kpt #: 265 total cpu time spent up to now is 155.8 secs Computing kpt #: 266 total cpu time spent up to now is 156.4 secs Computing kpt #: 267 total cpu time spent up to now is 157.0 secs Computing kpt #: 268 total cpu time spent up to now is 157.5 secs Computing kpt #: 269 total cpu time spent up to now is 158.1 secs Computing kpt #: 270 total cpu time spent up to now is 158.6 secs Computing kpt #: 271 total cpu time spent up to now is 159.2 secs Computing kpt #: 272 total cpu time spent up to now is 159.8 secs Computing kpt #: 273 total cpu time spent up to now is 160.3 secs Computing kpt #: 274 total cpu time spent up to now is 160.8 secs Computing kpt #: 275 total cpu time spent up to now is 161.6 secs Computing kpt #: 276 total cpu time spent up to now is 162.3 secs Computing kpt #: 277 total cpu time spent up to now is 162.8 secs Computing kpt #: 278 total cpu time spent up to now is 163.3 secs Computing kpt #: 279 total cpu time spent up to now is 163.8 secs Computing kpt #: 280 total cpu time spent up to now is 164.3 secs Computing kpt #: 281 total cpu time spent up to now is 164.8 secs Computing kpt #: 282 total cpu time spent up to now is 165.3 secs Computing kpt #: 283 total cpu time spent up to now is 165.8 secs Computing kpt #: 284 total cpu time spent up to now is 166.3 secs Computing kpt #: 285 total cpu time spent up to now is 166.8 secs Computing kpt #: 286 total cpu time spent up to now is 167.3 secs Computing kpt #: 287 total cpu time spent up to now is 167.8 secs Computing kpt #: 288 total cpu time spent up to now is 168.3 secs Computing kpt #: 289 total cpu time spent up to now is 168.7 secs Computing kpt #: 290 total cpu time spent up to now is 169.2 secs Computing kpt #: 291 total cpu time spent up to now is 169.7 secs Computing kpt #: 292 total cpu time spent up to now is 170.2 secs Computing kpt #: 293 total cpu time spent up to now is 170.7 secs Computing kpt #: 294 total cpu time spent up to now is 171.2 secs Computing kpt #: 295 total cpu time spent up to now is 171.7 secs Computing kpt #: 296 total cpu time spent up to now is 172.1 secs Computing kpt #: 297 total cpu time spent up to now is 172.6 secs Computing kpt #: 298 total cpu time spent up to now is 173.1 secs Computing kpt #: 299 total cpu time spent up to now is 173.6 secs Computing kpt #: 300 total cpu time spent up to now is 174.1 secs Computing kpt #: 301 total cpu time spent up to now is 174.7 secs Computing kpt #: 302 total cpu time spent up to now is 175.3 secs Computing kpt #: 303 total cpu time spent up to now is 175.9 secs Computing kpt #: 304 total cpu time spent up to now is 176.4 secs Computing kpt #: 305 total cpu time spent up to now is 177.0 secs Computing kpt #: 306 total cpu time spent up to now is 177.5 secs Computing kpt #: 307 total cpu time spent up to now is 178.1 secs Computing kpt #: 308 total cpu time spent up to now is 178.7 secs Computing kpt #: 309 total cpu time spent up to now is 179.2 secs Computing kpt #: 310 total cpu time spent up to now is 179.8 secs Computing kpt #: 311 total cpu time spent up to now is 180.3 secs Computing kpt #: 312 total cpu time spent up to now is 180.9 secs Computing kpt #: 313 total cpu time spent up to now is 181.4 secs Computing kpt #: 314 total cpu time spent up to now is 182.2 secs Computing kpt #: 315 total cpu time spent up to now is 183.0 secs Computing kpt #: 316 total cpu time spent up to now is 183.8 secs Computing kpt #: 317 total cpu time spent up to now is 184.4 secs Computing kpt #: 318 total cpu time spent up to now is 185.1 secs Computing kpt #: 319 total cpu time spent up to now is 185.7 secs Computing kpt #: 320 total cpu time spent up to now is 186.5 secs Computing kpt #: 321 total cpu time spent up to now is 187.2 secs Computing kpt #: 322 total cpu time spent up to now is 188.0 secs Computing kpt #: 323 total cpu time spent up to now is 188.5 secs Computing kpt #: 324 total cpu time spent up to now is 189.1 secs Computing kpt #: 325 total cpu time spent up to now is 189.6 secs Computing kpt #: 326 total cpu time spent up to now is 190.1 secs Computing kpt #: 327 total cpu time spent up to now is 190.7 secs Computing kpt #: 328 total cpu time spent up to now is 191.2 secs Computing kpt #: 329 total cpu time spent up to now is 191.7 secs Computing kpt #: 330 total cpu time spent up to now is 192.3 secs Computing kpt #: 331 total cpu time spent up to now is 192.8 secs Computing kpt #: 332 total cpu time spent up to now is 193.3 secs Computing kpt #: 333 total cpu time spent up to now is 193.7 secs Computing kpt #: 334 total cpu time spent up to now is 194.2 secs Computing kpt #: 335 total cpu time spent up to now is 194.7 secs Computing kpt #: 336 total cpu time spent up to now is 195.2 secs Computing kpt #: 337 total cpu time spent up to now is 195.7 secs Computing kpt #: 338 total cpu time spent up to now is 196.1 secs Computing kpt #: 339 total cpu time spent up to now is 196.6 secs Computing kpt #: 340 total cpu time spent up to now is 197.1 secs Computing kpt #: 341 total cpu time spent up to now is 197.6 secs Computing kpt #: 342 total cpu time spent up to now is 198.1 secs Computing kpt #: 343 total cpu time spent up to now is 198.7 secs Computing kpt #: 344 total cpu time spent up to now is 199.2 secs Computing kpt #: 345 total cpu time spent up to now is 199.9 secs ethr = 4.17E-08, avg # of iterations = 26.1 total cpu time spent up to now is 199.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5016 -1.5016 0.1983 0.1983 3.4459 3.4459 7.1132 7.1132 7.1289 7.1289 7.6236 7.6236 8.6412 8.6412 8.6710 8.6710 8.9225 8.9225 9.4749 9.4749 9.4966 9.4966 9.6444 9.6444 9.7216 9.7216 11.5712 11.5712 k = 0.0102 0.0059-0.0000 ( 7157 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5002 -1.5002 0.1989 0.1989 3.4478 3.4478 7.1108 7.1108 7.1272 7.1272 7.6242 7.6242 8.6247 8.6247 8.6533 8.6533 8.9180 8.9180 9.4921 9.4921 9.5131 9.5131 9.6445 9.6445 9.7216 9.7216 11.5724 11.5724 k = 0.0204 0.0118-0.0000 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4959 -1.4959 0.2004 0.2004 3.4535 3.4535 7.1007 7.1007 7.1250 7.1250 7.6257 7.6257 8.5785 8.5785 8.6043 8.6043 8.9046 8.9046 9.5374 9.5374 9.5615 9.5615 9.6443 9.6443 9.7220 9.7220 11.5751 11.5751 k = 0.0306 0.0177-0.0000 ( 7135 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4887 -1.4887 0.2031 0.2031 3.4630 3.4630 7.0804 7.0804 7.1249 7.1249 7.6283 7.6283 8.5096 8.5096 8.5331 8.5331 8.8827 8.8827 9.5986 9.5986 9.6334 9.6334 9.6469 9.6469 9.7242 9.7242 11.5770 11.5770 k = 0.0408 0.0236-0.0000 ( 7153 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4787 -1.4787 0.2068 0.2068 3.4762 3.4762 7.0510 7.0510 7.1262 7.1262 7.6318 7.6318 8.4238 8.4238 8.4488 8.4488 8.8531 8.8531 9.6300 9.6300 9.6766 9.6766 9.7273 9.7273 9.7356 9.7356 11.5761 11.5761 k = 0.0510 0.0295-0.0000 ( 7173 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4658 -1.4658 0.2115 0.2115 3.4933 3.4933 7.0132 7.0132 7.1282 7.1282 7.6363 7.6363 8.3253 8.3253 8.3582 8.3582 8.8165 8.8165 9.6184 9.6184 9.7372 9.7372 9.7578 9.7578 9.8400 9.8400 11.5722 11.5722 k = 0.0612 0.0353-0.0000 ( 7173 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4500 -1.4500 0.2173 0.2173 3.5140 3.5140 6.9677 6.9677 7.1307 7.1307 7.6415 7.6415 8.2175 8.2175 8.2649 8.2649 8.7741 8.7741 9.5987 9.5987 9.7542 9.7542 9.8391 9.8391 9.9555 9.9555 11.5656 11.5656 k = 0.0714 0.0412-0.0000 ( 7171 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4315 -1.4315 0.2241 0.2241 3.5385 3.5385 6.9149 6.9149 7.1335 7.1335 7.6472 7.6472 8.1037 8.1037 8.1703 8.1703 8.7267 8.7267 9.5724 9.5724 9.7744 9.7744 9.9235 9.9235 10.0773 10.0773 11.5569 11.5569 k = 0.0816 0.0471-0.0000 ( 7173 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4101 -1.4101 0.2320 0.2320 3.5667 3.5667 6.8554 6.8554 7.1365 7.1365 7.6529 7.6529 7.9860 7.9860 8.0756 8.0756 8.6751 8.6751 9.5400 9.5400 9.7986 9.7986 10.0082 10.0082 10.2039 10.2039 11.5465 11.5465 k = 0.0918 0.0530-0.0000 ( 7181 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3860 -1.3860 0.2409 0.2409 3.5985 3.5985 6.7896 6.7896 7.1396 7.1396 7.6567 7.6567 7.8673 7.8673 7.9817 7.9817 8.6201 8.6201 9.5020 9.5020 9.8268 9.8268 10.0923 10.0923 10.3342 10.3342 11.5346 11.5346 k = 0.1020 0.0589-0.0000 ( 7177 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3590 -1.3590 0.2508 0.2508 3.6338 3.6338 6.7183 6.7183 7.1423 7.1423 7.6492 7.6492 7.7577 7.7577 7.8893 7.8893 8.5624 8.5624 9.4592 9.4592 9.8585 9.8585 10.1751 10.1751 10.4677 10.4677 11.5214 11.5214 k = 0.1122 0.0648-0.0000 ( 7183 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3293 -1.3293 0.2617 0.2617 3.6727 3.6727 6.6417 6.6417 7.1445 7.1445 7.5816 7.5816 7.7065 7.7065 7.7991 7.7991 8.5026 8.5026 9.4120 9.4120 9.8937 9.8937 10.2563 10.2563 10.6038 10.6038 11.5071 11.5071 k = 0.1224 0.0707-0.0000 ( 7191 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2970 -1.2970 0.2736 0.2736 3.7151 3.7151 6.5606 6.5606 7.1456 7.1456 7.4644 7.4644 7.7030 7.7030 7.7123 7.7123 8.4413 8.4413 9.3610 9.3610 9.9323 9.9323 10.3356 10.3356 10.7421 10.7421 11.4917 11.4917 k = 0.1327 0.0766-0.0000 ( 7187 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2619 -1.2619 0.2865 0.2865 3.7609 3.7609 6.4752 6.4752 7.1449 7.1449 7.3381 7.3381 7.6281 7.6281 7.7084 7.7084 8.3788 8.3788 9.3070 9.3070 9.9742 9.9742 10.4129 10.4129 10.8824 10.8824 11.4755 11.4755 k = 0.1429 0.0825-0.0000 ( 7191 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2241 -1.2241 0.3003 0.3003 3.8101 3.8101 6.3859 6.3859 7.1407 7.1407 7.2097 7.2097 7.5497 7.5497 7.7146 7.7146 8.3155 8.3155 9.2505 9.2505 10.0191 10.0191 10.4880 10.4880 11.0244 11.0244 11.4586 11.4586 k = 0.1531 0.0884-0.0000 ( 7193 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1838 -1.1838 0.3151 0.3151 3.8625 3.8625 6.2933 6.2933 7.0787 7.0787 7.1333 7.1333 7.4785 7.4785 7.7206 7.7206 8.2518 8.2518 9.1920 9.1920 10.0671 10.0671 10.5608 10.5608 11.1678 11.1678 11.4412 11.4412 k = 0.1633 0.0943-0.0000 ( 7193 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1408 -1.1408 0.3309 0.3309 3.9180 3.9180 6.1974 6.1974 6.9497 6.9497 7.1159 7.1159 7.4174 7.4174 7.7258 7.7258 8.1880 8.1880 9.1321 9.1321 10.1179 10.1179 10.6313 10.6313 11.3124 11.3124 11.4234 11.4234 k = 0.1735 0.1002-0.0000 ( 7183 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0953 -1.0953 0.3475 0.3475 3.9767 3.9767 6.0986 6.0986 6.8207 6.8207 7.0877 7.0877 7.3698 7.3698 7.7299 7.7299 8.1242 8.1242 9.0713 9.0713 10.1715 10.1715 10.6993 10.6993 11.4053 11.4053 11.4582 11.4582 k = 0.1837 0.1060-0.0000 ( 7181 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0474 -1.0474 0.3651 0.3651 4.0383 4.0383 5.9970 5.9970 6.6927 6.6927 7.0467 7.0467 7.3372 7.3372 7.7323 7.7323 8.0609 8.0609 9.0099 9.0099 10.2276 10.2276 10.7649 10.7649 11.3875 11.3875 11.6044 11.6044 k = 0.1939 0.1119-0.0000 ( 7177 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.9970 -0.9970 0.3835 0.3835 4.1028 4.1028 5.8928 5.8928 6.5661 6.5661 6.9949 6.9949 7.3175 7.3175 7.7329 7.7329 7.9980 7.9980 8.9483 8.9483 10.2860 10.2860 10.8279 10.8279 11.3700 11.3700 11.6244 11.6244 k = 0.2041 0.1178-0.0000 ( 7181 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.9442 -0.9442 0.4027 0.4027 4.1700 4.1700 5.7861 5.7861 6.4414 6.4414 6.9363 6.9363 7.3068 7.3068 7.7314 7.7314 7.9359 7.9359 8.8868 8.8868 10.3464 10.3464 10.8881 10.8881 11.3531 11.3531 11.5960 11.5960 k = 0.2143 0.1237-0.0000 ( 7185 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8891 -0.8891 0.4228 0.4228 4.2398 4.2398 5.6769 5.6769 6.3190 6.3190 6.8742 6.8742 7.3017 7.3017 7.7276 7.7276 7.8747 7.8747 8.8257 8.8257 10.4085 10.4085 10.9457 10.9457 11.3372 11.3372 11.5776 11.5776 k = 0.2245 0.1296-0.0000 ( 7191 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8318 -0.8318 0.4437 0.4437 4.3121 4.3121 5.5655 5.5655 6.1993 6.1993 6.8109 6.8109 7.3000 7.3000 7.7215 7.7215 7.8146 7.8146 8.7653 8.7653 10.4717 10.4717 11.0006 11.0006 11.3229 11.3229 11.5693 11.5693 k = 0.2347 0.1355-0.0000 ( 7189 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7724 -0.7724 0.4653 0.4653 4.3866 4.3866 5.4517 5.4517 6.0825 6.0825 6.7478 6.7478 7.3002 7.3002 7.7128 7.7128 7.7556 7.7556 8.7058 8.7058 10.5354 10.5354 11.0531 11.0531 11.3109 11.3109 11.5713 11.5713 k = 0.2449 0.1414-0.0000 ( 7197 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7109 -0.7109 0.4877 0.4877 4.4633 4.4633 5.3359 5.3359 5.9691 5.9691 6.6856 6.6856 7.3015 7.3015 7.6977 7.6977 7.7020 7.7020 8.6473 8.6473 10.5986 10.5986 11.1036 11.1036 11.3020 11.3020 11.5831 11.5831 k = 0.2551 0.1473-0.0000 ( 7203 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6474 -0.6474 0.5107 0.5107 4.5418 4.5418 5.2180 5.2180 5.8592 5.8592 6.6249 6.6249 7.3035 7.3035 7.6418 7.6418 7.6882 7.6882 8.5899 8.5899 10.6601 10.6601 11.1529 11.1529 11.2977 11.2977 11.6040 11.6041 k = 0.2653 0.1532-0.0000 ( 7211 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5821 -0.5821 0.5344 0.5344 4.6221 4.6221 5.0984 5.0984 5.7530 5.7530 6.5659 6.5659 7.3058 7.3058 7.5872 7.5872 7.6724 7.6724 8.5337 8.5337 10.7181 10.7181 11.2019 11.2019 11.2999 11.2999 11.6330 11.6330 k = 0.2755 0.1591-0.0000 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5150 -0.5150 0.5588 0.5588 4.7038 4.7038 4.9773 4.9773 5.6507 5.6507 6.5090 6.5090 7.3082 7.3082 7.5344 7.5344 7.6544 7.6544 8.4789 8.4789 10.7704 10.7704 11.2509 11.2509 11.3113 11.3113 11.6686 11.6686 k = 0.2857 0.1650-0.0000 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4465 -0.4465 0.5838 0.5838 4.7867 4.7867 4.8549 4.8549 5.5523 5.5523 6.4542 6.4542 7.3104 7.3104 7.4834 7.4834 7.6345 7.6345 8.4255 8.4255 10.8146 10.8146 11.2994 11.2994 11.3359 11.3359 11.7097 11.7097 k = 0.2959 0.1708-0.0000 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3765 -0.3765 0.6094 0.6094 4.7317 4.7317 4.8706 4.8706 5.4578 5.4578 6.4016 6.4016 7.3125 7.3125 7.4344 7.4344 7.6129 7.6129 8.3735 8.3735 10.8487 10.8487 11.3460 11.3460 11.3778 11.3778 11.7551 11.7551 k = 0.3061 0.1767-0.0000 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3053 -0.3053 0.6356 0.6356 4.6080 4.6080 4.9550 4.9550 5.3675 5.3675 6.3514 6.3514 7.3141 7.3141 7.3876 7.3876 7.5900 7.5900 8.3230 8.3230 10.8724 10.8724 11.3958 11.3958 11.4327 11.4327 11.8038 11.8038 k = 0.3163 0.1826-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2332 -0.2332 0.6623 0.6623 4.4840 4.4840 5.0393 5.0393 5.2815 5.2815 6.3035 6.3035 7.3140 7.3140 7.3445 7.3445 7.5660 7.5660 8.2740 8.2740 10.8864 10.8864 11.4539 11.4539 11.4947 11.4947 11.8548 11.8548 k = 0.3265 0.1885-0.0000 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1604 -0.1604 0.6897 0.6897 4.3603 4.3603 5.1204 5.1204 5.2027 5.2027 6.2581 6.2581 7.2949 7.2949 7.3223 7.3223 7.5413 7.5413 8.2265 8.2265 10.8929 10.8929 11.5204 11.5204 11.5620 11.5620 11.9072 11.9072 k = 0.3367 0.1944-0.0000 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0874 -0.0874 0.7177 0.7177 4.2372 4.2372 5.1137 5.1137 5.2155 5.2155 6.2152 6.2152 7.2566 7.2566 7.3213 7.3213 7.5161 7.5161 8.1804 8.1804 10.8938 10.8938 11.5934 11.5934 11.6338 11.6338 11.9596 11.9596 k = 0.3469 0.2003-0.0000 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0144 -0.0144 0.7465 0.7465 4.1151 4.1151 5.0418 5.0418 5.2966 5.2966 6.1747 6.1747 7.2190 7.2190 7.3219 7.3219 7.4909 7.4909 8.1359 8.1359 10.8908 10.8908 11.6712 11.6712 11.7096 11.7096 12.0070 12.0070 k = 0.3571 0.2062-0.0000 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0581 0.0581 0.7761 0.7761 3.9943 3.9943 4.9718 4.9718 5.3787 5.3787 6.1368 6.1368 7.1836 7.1836 7.3225 7.3225 7.4658 7.4658 8.0929 8.0929 10.8854 10.8854 11.7523 11.7523 11.7886 11.7886 12.0350 12.0350 k = 0.3673 0.2121-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1294 0.1294 0.8066 0.8066 3.8754 3.8754 4.9056 4.9056 5.4595 5.4595 6.1015 6.1015 7.1507 7.1507 7.3230 7.3230 7.4413 7.4413 8.0514 8.0514 10.8784 10.8784 11.8355 11.8355 11.8699 11.8699 12.0508 12.0508 k = 0.3776 0.2180-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1988 0.1988 0.8384 0.8384 3.7588 3.7588 4.8436 4.8436 5.5381 5.5381 6.0687 6.0687 7.1204 7.1204 7.3233 7.3233 7.4174 7.4174 8.0115 8.0115 10.8706 10.8706 11.9198 11.9198 11.9520 11.9520 12.0657 12.0657 k = 0.3878 0.2239-0.0000 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2657 0.2657 0.8715 0.8715 3.6451 3.6451 4.7858 4.7858 5.6141 5.6141 6.0385 6.0385 7.0929 7.0929 7.3234 7.3234 7.3947 7.3947 7.9733 7.9733 10.8624 10.8624 12.0040 12.0040 12.0295 12.0295 12.0856 12.0856 k = 0.3980 0.2298-0.0000 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3290 0.3290 0.9062 0.9062 3.5348 3.5348 4.7325 4.7325 5.6866 5.6866 6.0109 6.0109 7.0681 7.0681 7.3234 7.3234 7.3731 7.3731 7.9368 7.9368 10.8542 10.8542 12.0734 12.0734 12.0889 12.0889 12.1369 12.1369 k = 0.4082 0.2357-0.0000 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3880 0.3880 0.9426 0.9426 3.4288 3.4288 4.6838 4.6838 5.7552 5.7552 5.9859 5.9859 7.0463 7.0463 7.3232 7.3232 7.3531 7.3531 7.9022 7.9022 10.8463 10.8463 12.0921 12.0921 12.1692 12.1692 12.2137 12.2137 k = 0.4184 0.2415-0.0000 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4417 0.4417 0.9807 0.9807 3.3278 3.3278 4.6397 4.6397 5.8190 5.8190 5.9635 5.9635 7.0273 7.0273 7.3225 7.3225 7.3352 7.3352 7.8697 7.8697 10.8388 10.8388 12.1052 12.1052 12.2466 12.2466 12.2907 12.2907 k = 0.4286 0.2474-0.0000 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4895 0.4895 1.0200 1.0200 3.2328 3.2328 4.6005 4.6005 5.8774 5.8774 5.9437 5.9437 7.0112 7.0112 7.3162 7.3162 7.3246 7.3246 7.8396 7.8396 10.8319 10.8319 12.1165 12.1165 12.3192 12.3192 12.3620 12.3620 k = 0.4388 0.2533-0.0000 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5307 0.5307 1.0597 1.0597 3.1452 3.1452 4.5662 4.5662 5.9251 5.9251 5.9312 5.9312 6.9979 6.9979 7.3024 7.3024 7.3235 7.3235 7.8122 7.8122 10.8258 10.8258 12.1266 12.1266 12.3853 12.3853 12.4238 12.4239 k = 0.4490 0.2592-0.0000 ( 7190 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5652 0.5652 1.0986 1.0986 3.0664 3.0664 4.5369 4.5369 5.9119 5.9119 5.9755 5.9755 6.9873 6.9873 7.2899 7.2899 7.3231 7.3231 7.7878 7.7878 10.8204 10.8204 12.1354 12.1354 12.4434 12.4434 12.4753 12.4753 k = 0.4592 0.2651-0.0000 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5930 0.5930 1.1349 1.1349 2.9980 2.9980 4.5129 4.5129 5.9000 5.9000 6.0137 6.0137 6.9791 6.9791 7.2794 7.2794 7.3228 7.3228 7.7670 7.7670 10.8160 10.8160 12.1427 12.1427 12.4915 12.4915 12.5178 12.5178 k = 0.4694 0.2710-0.0000 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6143 0.6143 1.1664 1.1664 2.9420 2.9420 4.4940 4.4940 5.8908 5.8908 6.0439 6.0439 6.9732 6.9732 7.2712 7.2712 7.3225 7.3225 7.7501 7.7501 10.8125 10.8125 12.1486 12.1486 12.5278 12.5278 12.5529 12.5529 k = 0.4796 0.2769-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6292 0.6292 1.1909 1.1909 2.9001 2.9001 4.4805 4.4805 5.8842 5.8842 6.0659 6.0659 6.9693 6.9693 7.2653 7.2653 7.3224 7.3224 7.7377 7.7377 10.8099 10.8099 12.1529 12.1529 12.5526 12.5526 12.5801 12.5801 k = 0.4898 0.2828-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6381 0.6381 1.2066 1.2066 2.8743 2.8743 4.4724 4.4724 5.8802 5.8802 6.0791 6.0791 6.9671 6.9671 7.2617 7.2617 7.3223 7.3223 7.7300 7.7300 10.8084 10.8084 12.1555 12.1555 12.5669 12.5669 12.5972 12.5972 k = 0.5000 0.2887-0.0000 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6410 0.6410 1.2120 1.2120 2.8655 2.8655 4.4697 4.4697 5.8789 5.8789 6.0836 6.0836 6.9663 6.9663 7.2605 7.2605 7.3222 7.3222 7.7274 7.7274 10.8079 10.8079 12.1563 12.1563 12.5717 12.5717 12.6031 12.6031 k = 0.5000 0.2887-0.0000 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6410 0.6410 1.2120 1.2120 2.8655 2.8655 4.4697 4.4697 5.8789 5.8789 6.0836 6.0836 6.9663 6.9663 7.2605 7.2605 7.3222 7.3222 7.7274 7.7274 10.8079 10.8079 12.1563 12.1563 12.5717 12.5717 12.6031 12.6031 k = 0.4943 0.2986-0.0000 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6421 0.6421 1.2122 1.2122 2.8667 2.8667 4.4685 4.4685 5.8781 5.8781 6.0852 6.0852 6.9658 6.9658 7.1578 7.1578 7.4243 7.4243 7.7287 7.7287 10.7991 10.7991 12.1517 12.1517 12.5755 12.5755 12.6036 12.6036 k = 0.4885 0.3086-0.0000 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6455 0.6455 1.2129 1.2129 2.8705 2.8705 4.4648 4.4648 5.8758 5.8758 6.0900 6.0900 6.9641 6.9641 7.0294 7.0294 7.5512 7.5512 7.7324 7.7324 10.7732 10.7732 12.1381 12.1381 12.5866 12.5866 12.6055 12.6055 k = 0.4828 0.3185-0.0000 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6510 0.6510 1.2141 1.2141 2.8768 2.8768 4.4586 4.4586 5.8720 5.8720 6.0980 6.0980 6.8980 6.8980 6.9626 6.9626 7.6784 7.6784 7.7387 7.7387 10.7317 10.7317 12.1162 12.1162 12.6043 12.6043 12.6102 12.6102 k = 0.4770 0.3285-0.0000 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6588 0.6588 1.2158 1.2158 2.8856 2.8856 4.4501 4.4501 5.8668 5.8668 6.1091 6.1091 6.7671 6.7671 6.9589 6.9589 7.7467 7.7467 7.8060 7.8060 10.6765 10.6765 12.0871 12.0871 12.6173 12.6173 12.6294 12.6294 k = 0.4713 0.3384-0.0000 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6687 0.6687 1.2179 1.2179 2.8969 2.8969 4.4393 4.4393 5.8603 5.8603 6.1233 6.1233 6.6356 6.6356 6.9546 6.9546 7.7579 7.7579 7.9323 7.9323 10.6102 10.6102 12.0518 12.0518 12.6296 12.6296 12.6586 12.6586 k = 0.4655 0.3484-0.0000 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6808 0.6808 1.2204 1.2204 2.9107 2.9107 4.4262 4.4262 5.8526 5.8526 6.1405 6.1405 6.5037 6.5037 6.9495 6.9495 7.7714 7.7714 8.0582 8.0582 10.5348 10.5348 12.0112 12.0112 12.6464 12.6464 12.6584 12.6584 k = 0.4598 0.3584-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6950 0.6950 1.2233 1.2233 2.9270 2.9270 4.4110 4.4110 5.8438 5.8438 6.1606 6.1606 6.3716 6.3716 6.9436 6.9436 7.7872 7.7872 8.1836 8.1836 10.4526 10.4526 11.9662 11.9662 12.6255 12.6255 12.6677 12.6677 k = 0.4540 0.3683-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7112 0.7112 1.2265 1.2265 2.9458 2.9458 4.3937 4.3937 5.8341 5.8341 6.1834 6.1834 6.2396 6.2396 6.9370 6.9370 7.8055 7.8055 8.3085 8.3085 10.3654 10.3654 11.9178 11.9178 12.5872 12.5872 12.6935 12.6935 k = 0.4483 0.3783-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7294 0.7294 1.2300 1.2300 2.9671 2.9671 4.3746 4.3746 5.8237 5.8237 6.1077 6.1077 6.2088 6.2088 6.9297 6.9297 7.8261 7.8261 8.4329 8.4329 10.2746 10.2746 11.8666 11.8666 12.5439 12.5439 12.7235 12.7235 k = 0.4425 0.3882-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7495 0.7495 1.2338 1.2338 2.9908 2.9908 4.3538 4.3538 5.8126 5.8126 5.9762 5.9762 6.2366 6.2366 6.9218 6.9218 7.8490 7.8490 8.5569 8.5569 10.1815 10.1815 11.8133 11.8133 12.4959 12.4959 12.7577 12.7577 k = 0.4368 0.3982-0.0000 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7714 0.7714 1.2378 1.2378 3.0169 3.0169 4.3314 4.3314 5.8009 5.8009 5.8454 5.8454 6.2666 6.2666 6.9135 6.9135 7.8742 7.8742 8.6806 8.6806 10.0871 10.0871 11.7584 11.7584 12.4433 12.4433 12.7956 12.7956 k = 0.4310 0.4081-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7951 0.7951 1.2419 1.2419 3.0455 3.0455 4.3078 4.3078 5.7144 5.7144 5.7897 5.7897 6.2986 6.2986 6.9048 6.9048 7.9018 7.9018 8.8041 8.8041 9.9922 9.9922 11.7027 11.7027 12.3862 12.3862 12.8368 12.8368 k = 0.4253 0.4181-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8203 0.8203 1.2461 1.2461 3.0765 3.0765 4.2830 4.2830 5.5851 5.5851 5.7777 5.7777 6.3324 6.3324 6.8957 6.8957 7.9315 7.9315 8.9275 8.9275 9.8975 9.8975 11.6464 11.6464 12.3249 12.3249 12.8787 12.8787 k = 0.4195 0.4280-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8470 0.8470 1.2502 1.2502 3.1099 3.1099 4.2574 4.2574 5.4567 5.4567 5.7658 5.7658 6.3676 6.3676 6.8865 6.8865 7.9634 7.9634 9.0507 9.0507 9.8036 9.8036 11.5901 11.5901 12.2596 12.2596 12.8883 12.8883 k = 0.4138 0.4380-0.0000 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8751 0.8751 1.2543 1.2543 3.1456 3.1456 4.2311 4.2311 5.3296 5.3296 5.7541 5.7541 6.4040 6.4040 6.8772 6.8772 7.9975 7.9975 9.1738 9.1738 9.7110 9.7110 11.5341 11.5341 12.1904 12.1904 12.8513 12.8513 k = 0.4080 0.4479-0.0000 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9042 0.9042 1.2582 1.2582 3.1837 3.1837 4.2045 4.2045 5.2042 5.2042 5.7426 5.7426 6.4412 6.4412 6.8679 6.8679 8.0335 8.0335 9.2963 9.2963 9.6206 9.6206 11.4788 11.4788 12.1177 12.1177 12.8022 12.8022 k = 0.4023 0.4579-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9344 0.9344 1.2618 1.2618 3.2240 3.2240 4.1778 4.1778 5.0805 5.0805 5.7316 5.7316 6.4788 6.4788 6.8588 6.8588 8.0716 8.0716 9.4148 9.4148 9.5364 9.5364 11.4244 11.4244 12.0416 12.0416 12.7460 12.7460 k = 0.3966 0.4679-0.0000 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9652 0.9652 1.2650 1.2650 3.2667 3.2667 4.1514 4.1514 4.9591 4.9591 5.7210 5.7210 6.5163 6.5163 6.8499 6.8499 8.1115 8.1115 9.4314 9.4314 9.5562 9.5562 11.3712 11.3712 11.9624 11.9624 12.6851 12.6851 k = 0.3908 0.4778-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9965 0.9965 1.2678 1.2678 3.3115 3.3115 4.1254 4.1254 4.8401 4.8401 5.7109 5.7109 6.5533 6.5533 6.8415 6.8415 8.1532 8.1532 9.3512 9.3512 9.6756 9.6756 11.3194 11.3194 11.8803 11.8803 12.6218 12.6218 k = 0.3851 0.4878-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0279 1.0279 1.2700 1.2700 3.3586 3.3586 4.1002 4.1002 4.7241 4.7241 5.7015 5.7015 6.5894 6.5894 6.8335 6.8335 8.1966 8.1966 9.2691 9.2691 9.7995 9.7995 11.2692 11.2692 11.7957 11.7957 12.5581 12.5581 k = 0.3793 0.4977-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0592 1.0592 1.2716 1.2716 3.4078 3.4078 4.0761 4.0761 4.6114 4.6114 5.6929 5.6929 6.6238 6.6238 6.8262 6.8262 8.2415 8.2415 9.1890 9.1890 9.9246 9.9246 11.2208 11.2208 11.7087 11.7087 12.4959 12.4959 k = 0.3736 0.5077-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0898 1.0898 1.2724 1.2724 3.4590 3.4590 4.0533 4.0533 4.5024 4.5024 5.6850 5.6850 6.6560 6.6560 6.8199 6.8199 8.2880 8.2880 9.1112 9.1112 10.0503 10.0503 11.1744 11.1744 11.6195 11.6195 12.4369 12.4369 k = 0.3678 0.5176-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1194 1.1194 1.2723 1.2723 3.5122 3.5122 4.0321 4.0321 4.3979 4.3979 5.6780 5.6780 6.6852 6.6852 6.8147 6.8147 8.3357 8.3357 9.0362 9.0362 10.1765 10.1765 11.1300 11.1300 11.5286 11.5286 12.3825 12.3825 k = 0.3621 0.5276-0.0000 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1473 1.1473 1.2713 1.2713 3.5672 3.5672 4.0128 4.0128 4.2985 4.2985 5.6719 5.6719 6.7106 6.7106 6.8110 6.8110 8.3848 8.3848 8.9640 8.9640 10.3031 10.3031 11.0878 11.0878 11.4361 11.4361 12.3339 12.3339 k = 0.3563 0.5375-0.0000 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1730 1.1730 1.2694 1.2694 3.6237 3.6237 3.9956 3.9956 4.2051 4.2051 5.6668 5.6668 6.7311 6.7311 6.8094 6.8094 8.4350 8.4350 8.8948 8.8948 10.4299 10.4299 11.0480 11.0480 11.3422 11.3422 12.2923 12.2923 k = 0.3506 0.5475-0.0000 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1957 1.1957 1.2666 1.2666 3.6810 3.6810 3.9806 3.9806 4.1190 4.1190 5.6628 5.6628 6.7459 6.7459 6.8101 6.8101 8.4862 8.4862 8.8287 8.8287 10.5565 10.5565 11.0106 11.0106 11.2474 11.2474 12.2587 12.2587 k = 0.3448 0.5574-0.0000 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2144 1.2144 1.2631 1.2631 3.7377 3.7377 3.9676 3.9676 4.0430 4.0430 5.6598 5.6598 6.7548 6.7548 6.8127 6.8127 8.5384 8.5384 8.7658 8.7658 10.6822 10.6822 10.9761 10.9761 11.1522 11.1522 12.2339 12.2339 k = 0.3391 0.5674-0.0000 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2273 1.2273 1.2599 1.2599 3.7884 3.7884 3.9536 3.9536 3.9862 3.9862 5.6580 5.6580 6.7592 6.7592 6.8156 6.8156 8.5910 8.5910 8.7067 8.7067 10.8033 10.8033 10.9470 10.9470 11.0579 11.0579 12.2187 12.2187 k = 0.3333 0.5774-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2319 1.2319 1.2587 1.2587 3.8130 3.8130 3.9400 3.9400 3.9683 3.9683 5.6573 5.6573 6.7605 6.7605 6.8169 6.8169 8.6326 8.6326 8.6630 8.6630 10.8747 10.8747 10.9531 10.9531 10.9795 10.9795 12.2135 12.2135 k = 0.3333 0.5774-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2319 1.2319 1.2587 1.2587 3.8130 3.8130 3.9400 3.9400 3.9683 3.9683 5.6573 5.6573 6.7605 6.7605 6.8169 6.8169 8.6326 8.6326 8.6630 8.6630 10.8747 10.8747 10.9531 10.9531 10.9795 10.9795 12.2135 12.2135 k = 0.3275 0.5672-0.0000 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2281 1.2281 1.2587 1.2587 3.7916 3.7916 3.9466 3.9466 3.9905 3.9905 5.6580 5.6580 6.7591 6.7591 6.8155 6.8155 8.5912 8.5912 8.7067 8.7067 10.8297 10.8297 10.8987 10.8987 11.0796 11.0796 12.2189 12.2189 k = 0.3216 0.5571-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2194 1.2194 1.2556 1.2556 3.7547 3.7547 3.9499 3.9499 4.0470 4.0470 5.6600 5.6600 6.7540 6.7540 6.8123 6.8123 8.5410 8.5410 8.7638 8.7638 10.7414 10.7414 10.8650 10.8650 11.2040 11.2040 12.2353 12.2353 k = 0.3158 0.5470-0.0000 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2077 1.2077 1.2467 1.2467 3.7215 3.7215 3.9545 3.9545 4.1144 4.1144 5.6634 5.6634 6.7428 6.7428 6.8096 6.8096 8.4936 8.4936 8.8228 8.8228 10.6442 10.6442 10.8406 10.8406 11.3292 11.3292 12.2624 12.2624 k = 0.3099 0.5368-0.0000 ( 7244 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1938 1.1938 1.2311 1.2311 3.6971 3.6971 3.9623 3.9623 4.1864 4.1864 5.6683 5.6683 6.7230 6.7230 6.8096 6.8096 8.4495 8.4495 8.8834 8.8834 10.5451 10.5451 10.8203 10.8203 11.4531 11.4531 12.2998 12.2998 k = 0.3041 0.5267-0.0000 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1772 1.1772 1.2088 1.2088 3.6829 3.6829 3.9737 3.9737 4.2614 4.2614 5.6747 5.6747 6.6943 6.6943 6.8129 6.8129 8.4089 8.4089 8.9455 8.9455 10.4455 10.4455 10.8034 10.8034 11.5749 11.5749 12.3467 12.3467 k = 0.2982 0.5166-0.0000 ( 7244 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1566 1.1566 1.1814 1.1814 3.6795 3.6795 3.9887 3.9887 4.3387 4.3387 5.6827 5.6827 6.6572 6.6572 6.8191 6.8191 8.3717 8.3717 9.0092 9.0092 10.3460 10.3460 10.7894 10.7894 11.6936 11.6936 12.4016 12.4016 k = 0.2924 0.5064-0.0000 ( 7246 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1266 1.1266 1.1545 1.1545 3.6869 3.6869 4.0073 4.0073 4.4180 4.4180 5.6923 5.6923 6.6126 6.6126 6.8277 6.8277 8.3381 8.3381 9.0743 9.0743 10.2468 10.2468 10.7785 10.7785 11.8084 11.8084 12.4625 12.4625 k = 0.2865 0.4963-0.0000 ( 7254 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0844 1.0844 1.1314 1.1314 3.7048 3.7048 4.0297 4.0297 4.4991 4.4991 5.7035 5.7035 6.5611 6.5611 6.8385 6.8385 8.3080 8.3080 9.1410 9.1410 10.1481 10.1481 10.7705 10.7705 11.9186 11.9186 12.5257 12.5257 k = 0.2807 0.4862-0.0000 ( 7254 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0337 1.0337 1.1091 1.1091 3.7326 3.7326 4.0558 4.0558 4.5818 4.5818 5.7165 5.7165 6.5033 6.5033 6.8513 6.8513 8.2814 8.2814 9.2090 9.2090 10.0502 10.0502 10.7654 10.7654 12.0229 12.0229 12.5857 12.5857 k = 0.2749 0.4761-0.0000 ( 7242 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9764 0.9764 1.0864 1.0864 3.7698 3.7698 4.0855 4.0855 4.6660 4.6660 5.7313 5.7313 6.4398 6.4398 6.8660 6.8660 8.2585 8.2585 9.2784 9.2784 9.9532 9.9532 10.7633 10.7633 12.1204 12.1204 12.6328 12.6328 k = 0.2690 0.4659-0.0000 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9138 0.9138 1.0629 1.0629 3.8156 3.8156 4.1188 4.1188 4.7516 4.7516 5.7478 5.7478 6.3713 6.3713 6.8827 6.8827 8.2391 8.2391 9.3489 9.3489 9.8574 9.8574 10.7641 10.7641 12.2098 12.2098 12.6531 12.6531 k = 0.2632 0.4558-0.0000 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8468 0.8468 1.0386 1.0386 3.8692 3.8692 4.1556 4.1556 4.8385 4.8385 5.7662 5.7662 6.2982 6.2982 6.9012 6.9012 8.2233 8.2233 9.4201 9.4201 9.7631 9.7631 10.7678 10.7678 12.2899 12.2899 12.6342 12.6342 k = 0.2573 0.4457-0.0000 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7762 0.7762 1.0134 1.0134 3.9300 3.9300 4.1958 4.1958 4.9265 4.9265 5.7863 5.7863 6.2213 6.2213 6.9217 6.9217 8.2112 8.2112 9.4904 9.4904 9.6720 9.6720 10.7744 10.7744 12.3594 12.3594 12.5790 12.5790 k = 0.2515 0.4355-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7027 0.7027 0.9876 0.9876 3.9974 3.9974 4.2394 4.2394 5.0155 5.0155 5.8081 5.8081 6.1412 6.1412 6.9441 6.9441 8.2026 8.2026 9.5385 9.5385 9.6053 9.6053 10.7838 10.7838 12.4169 12.4169 12.5016 12.5016 k = 0.2456 0.4254-0.0000 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6268 0.6268 0.9612 0.9612 4.0706 4.0706 4.2862 4.2862 5.1054 5.1054 5.8311 5.8311 6.0591 6.0591 6.9684 6.9684 8.1976 8.1976 9.4747 9.4747 9.6526 9.6526 10.7961 10.7961 12.4103 12.4103 12.4639 12.4639 k = 0.2398 0.4153-0.0000 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5492 0.5492 0.9343 0.9343 4.1492 4.1492 4.3362 4.3362 5.1961 5.1961 5.8527 5.8527 5.9778 5.9778 6.9946 6.9946 8.1962 8.1962 9.3878 9.3878 9.7249 9.7249 10.8113 10.8113 12.3158 12.3158 12.4947 12.4947 k = 0.2339 0.4052-0.0000 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4704 0.4704 0.9070 0.9070 4.2327 4.2327 4.3892 4.3892 5.2875 5.2875 5.8498 5.8498 5.9213 5.9213 7.0227 7.0227 8.1983 8.1983 9.3003 9.3003 9.7997 9.7997 10.8292 10.8292 12.2178 12.2178 12.5113 12.5113 k = 0.2281 0.3950-0.0000 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3908 0.3908 0.8794 0.8794 4.3205 4.3205 4.4451 4.4451 5.3793 5.3793 5.7800 5.7800 5.9322 5.9322 7.0527 7.0527 8.2040 8.2040 9.2139 9.2139 9.8751 9.8751 10.8500 10.8500 12.1184 12.1184 12.5103 12.5103 k = 0.2222 0.3849-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3107 0.3107 0.8516 0.8516 4.4124 4.4124 4.5039 4.5039 5.4713 5.4713 5.6926 5.6926 5.9618 5.9618 7.0846 7.0846 8.2132 8.2132 9.1289 9.1289 9.9506 9.9506 10.8735 10.8735 12.0187 12.0187 12.4808 12.4808 k = 0.2164 0.3748-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2306 0.2306 0.8237 0.8237 4.5079 4.5079 4.5655 4.5655 5.5634 5.5634 5.6020 5.6020 5.9961 5.9961 7.1184 7.1184 8.2259 8.2259 9.0456 9.0456 10.0257 10.0257 10.8998 10.8998 11.9193 11.9193 12.4153 12.4153 k = 0.2105 0.3646-0.0000 ( 7234 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1507 0.1507 0.7958 0.7958 4.6064 4.6064 4.6301 4.6301 5.5099 5.5099 5.6557 5.6557 6.0334 6.0334 7.1540 7.1540 8.2420 8.2420 8.9641 8.9641 10.1001 10.1001 10.9287 10.9287 11.8209 11.8209 12.3333 12.3333 k = 0.2047 0.3545-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0713 0.0713 0.7679 0.7679 4.6948 4.6948 4.7104 4.7104 5.4176 5.4176 5.7475 5.7475 6.0734 6.0734 7.1915 7.1915 8.2616 8.2616 8.8844 8.8844 10.1734 10.1734 10.9603 10.9603 11.7238 11.7238 12.2466 12.2466 k = 0.1988 0.3444-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0074 -0.0074 0.7402 0.7402 4.7646 4.7646 4.8145 4.8145 5.3252 5.3252 5.8388 5.8388 6.1159 6.1159 7.2308 7.2308 8.2845 8.2845 8.8067 8.8067 10.2452 10.2452 10.9946 10.9946 11.6287 11.6287 12.1583 12.1583 k = 0.1930 0.3343-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0852 -0.0852 0.7127 0.7127 4.8361 4.8361 4.9219 4.9219 5.2330 5.2330 5.9293 5.9293 6.1610 6.1610 7.2719 7.2719 8.3107 8.3107 8.7310 8.7310 10.3149 10.3149 11.0314 11.0314 11.5360 11.5360 12.0694 12.0694 k = 0.1871 0.3241-0.0000 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1619 -0.1619 0.6855 0.6855 4.9095 4.9095 5.0317 5.0317 5.1416 5.1416 6.0188 6.0188 6.2086 6.2086 7.3148 7.3148 8.3401 8.3401 8.6573 8.6573 10.3819 10.3819 11.0707 11.0707 11.4464 11.4464 11.9805 11.9805 k = 0.1813 0.3140-0.0000 ( 7234 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2373 -0.2373 0.6586 0.6586 4.9846 4.9846 5.0512 5.0512 5.1440 5.1440 6.1069 6.1069 6.2587 6.2587 7.3594 7.3594 8.3727 8.3727 8.5859 8.5859 10.4451 10.4451 11.1125 11.1125 11.3609 11.3609 11.8921 11.8921 k = 0.1754 0.3039-0.0000 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3114 -0.3114 0.6321 0.6321 4.9605 4.9605 5.0631 5.0631 5.2582 5.2582 6.1933 6.1933 6.3114 6.3114 7.4057 7.4057 8.4082 8.4082 8.5167 8.5167 10.5030 10.5030 11.1566 11.1566 11.2811 11.2811 11.8044 11.8044 k = 0.1696 0.2937-0.0000 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3839 -0.3839 0.6061 0.6061 4.8723 4.8723 5.1422 5.1422 5.3743 5.3743 6.2777 6.2777 6.3666 6.3666 7.4536 7.4536 8.4424 8.4424 8.4541 8.4541 10.5535 10.5535 11.1991 11.1991 11.2129 11.2129 11.7178 11.7178 k = 0.1637 0.2836-0.0000 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4547 -0.4547 0.5806 0.5806 4.7854 4.7854 5.2230 5.2230 5.4922 5.4922 6.3598 6.3598 6.4245 6.4245 7.5032 7.5032 8.3844 8.3844 8.4890 8.4890 10.5929 10.5929 11.1469 11.1469 11.2530 11.2530 11.6323 11.6323 k = 0.1579 0.2735-0.0000 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5239 -0.5239 0.5557 0.5557 4.7001 4.7001 5.3055 5.3055 5.6116 5.6116 6.4390 6.4390 6.4850 6.4850 7.5543 7.5543 8.3223 8.3223 8.5330 8.5330 10.6162 10.6162 11.1021 11.1021 11.3041 11.3041 11.5482 11.5482 k = 0.1520 0.2634-0.0000 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5911 -0.5911 0.5314 0.5314 4.6167 4.6167 5.3893 5.3893 5.7325 5.7325 6.5151 6.5151 6.5482 6.5482 7.6070 7.6070 8.2626 8.2626 8.5797 8.5797 10.6183 10.6183 11.0785 11.0785 11.3572 11.3572 11.4657 11.4657 k = 0.1462 0.2532-0.0000 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6565 -0.6565 0.5077 0.5077 4.5351 4.5351 5.4743 5.4743 5.8546 5.8546 6.5878 6.5878 6.6141 6.6141 7.6610 7.6610 8.2054 8.2054 8.6289 8.6289 10.5980 10.5980 11.0773 11.0773 11.3821 11.3821 11.4149 11.4149 k = 0.1404 0.2431-0.0000 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7198 -0.7198 0.4847 0.4847 4.4557 4.4557 5.5604 5.5604 5.9779 5.9779 6.6572 6.6572 6.6820 6.6820 7.7165 7.7165 8.1509 8.1509 8.6803 8.6803 10.5596 10.5596 11.0941 11.0941 11.3032 11.3032 11.4712 11.4712 k = 0.1345 0.2330-0.0000 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7810 -0.7810 0.4625 0.4625 4.3786 4.3786 5.6473 5.6473 6.1022 6.1022 6.7233 6.7233 6.7517 6.7517 7.7733 7.7733 8.0991 8.0991 8.7337 8.7337 10.5097 10.5097 11.1222 11.1222 11.2244 11.2244 11.5305 11.5305 k = 0.1287 0.2228-0.0000 ( 7184 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8401 -0.8401 0.4409 0.4409 4.3038 4.3038 5.7349 5.7349 6.2272 6.2272 6.7853 6.7853 6.8236 6.8236 7.8312 7.8312 8.0501 8.0501 8.7889 8.7889 10.4538 10.4538 11.1430 11.1430 11.1596 11.1596 11.5916 11.5916 k = 0.1228 0.2127-0.0000 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8969 -0.8969 0.4202 0.4202 4.2316 4.2316 5.8230 5.8230 6.3528 6.3528 6.8426 6.8426 6.8981 6.8981 7.8903 7.8903 8.0040 8.0040 8.8456 8.8456 10.3951 10.3951 11.0678 11.0678 11.1941 11.1941 11.6539 11.6539 k = 0.1170 0.2026-0.0000 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.9515 -0.9515 0.4003 0.4003 4.1620 4.1620 5.9112 5.9112 6.4787 6.4787 6.8951 6.8951 6.9752 6.9752 7.9495 7.9495 7.9618 7.9618 8.9036 8.9036 10.3359 10.3359 10.9906 10.9906 11.2315 11.2315 11.7149 11.7150 k = 0.1111 0.1925-0.0000 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0037 -1.0037 0.3812 0.3812 4.0951 4.0951 5.9994 5.9994 6.6045 6.6045 6.9428 6.9428 7.0548 7.0548 7.9207 7.9207 8.0115 8.0115 8.9625 8.9625 10.2774 10.2774 10.9134 10.9134 11.2683 11.2683 11.6821 11.6821 k = 0.1053 0.1823-0.0000 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0535 -1.0535 0.3629 0.3629 4.0311 4.0311 6.0873 6.0873 6.7294 6.7294 6.9863 6.9863 7.1368 7.1368 7.8838 7.8838 8.0732 8.0732 9.0219 9.0219 10.2203 10.2203 10.8359 10.8359 11.3039 11.3039 11.5431 11.5431 k = 0.0994 0.1722-0.0000 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1009 -1.1009 0.3456 0.3456 3.9699 3.9699 6.1745 6.1745 6.8514 6.8514 7.0275 7.0275 7.2211 7.2211 7.8502 7.8502 8.1354 8.1354 9.0816 9.0816 10.1652 10.1652 10.7579 10.7579 11.3377 11.3377 11.4022 11.4022 k = 0.0936 0.1621-0.0000 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1458 -1.1458 0.3291 0.3291 3.9119 3.9119 6.2607 6.2607 6.9624 6.9624 7.0741 7.0741 7.3075 7.3075 7.8198 7.8198 8.1980 8.1980 9.1409 9.1409 10.1124 10.1124 10.6792 10.6792 11.2616 11.2616 11.3695 11.3695 k = 0.0877 0.1519-0.0000 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1882 -1.1882 0.3135 0.3135 3.8569 3.8569 6.3456 6.3456 7.0365 7.0365 7.1521 7.1521 7.3961 7.3961 7.7928 7.7928 8.2608 8.2608 9.1996 9.1996 10.0623 10.0623 10.5997 10.5997 11.1221 11.1221 11.3991 11.3991 k = 0.0819 0.1418-0.0000 ( 7184 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2281 -1.2281 0.2989 0.2989 3.8051 3.8051 6.4288 6.4288 7.0722 7.0722 7.2626 7.2626 7.4866 7.4866 7.7694 7.7694 8.3235 8.3235 9.2570 9.2570 10.0149 10.0149 10.5190 10.5190 10.9838 10.9838 11.4264 11.4264 k = 0.0760 0.1317-0.0000 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2653 -1.2653 0.2852 0.2852 3.7565 3.7565 6.5098 6.5098 7.0934 7.0934 7.3812 7.3812 7.5790 7.5790 7.7502 7.7502 8.3859 8.3859 9.3125 9.3125 9.9705 9.9705 10.4373 10.4373 10.8467 10.8467 11.4515 11.4515 k = 0.0702 0.1215-0.0000 ( 7182 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2999 -1.2999 0.2725 0.2725 3.7113 3.7113 6.5881 6.5881 7.1077 7.1077 7.4985 7.4985 7.6731 7.6731 7.7370 7.7370 8.4475 8.4475 9.3657 9.3657 9.9292 9.9292 10.3543 10.3543 10.7111 10.7111 11.4743 11.4743 k = 0.0643 0.1114-0.0000 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3318 -1.3318 0.2608 0.2608 3.6695 3.6695 6.6632 6.6632 7.1174 7.1174 7.6023 7.6023 7.7397 7.7397 7.7688 7.7688 8.5081 8.5081 9.4159 9.4159 9.8910 9.8910 10.2701 10.2701 10.5773 10.5773 11.4949 11.4949 k = 0.0585 0.1013-0.0000 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3611 -1.3611 0.2500 0.2500 3.6311 3.6311 6.7347 6.7347 7.1237 7.1237 7.6542 7.6542 7.7956 7.7956 7.8657 7.8657 8.5671 8.5671 9.4624 9.4624 9.8563 9.8563 10.1849 10.1849 10.4454 10.4454 11.5132 11.5132 k = 0.0526 0.0912-0.0000 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3876 -1.3876 0.2403 0.2403 3.5963 3.5963 6.8018 6.8018 7.1273 7.1273 7.6594 7.6594 7.8986 7.8986 7.9635 7.9635 8.6240 8.6240 9.5046 9.5046 9.8249 9.8249 10.0987 10.0987 10.3159 10.3159 11.5294 11.5294 k = 0.0468 0.0810-0.0000 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4115 -1.4115 0.2315 0.2315 3.5649 3.5649 6.8641 6.8641 7.1288 7.1288 7.6544 7.6544 8.0111 8.0111 8.0620 8.0620 8.6783 8.6783 9.5420 9.5420 9.7972 9.7972 10.0119 10.0119 10.1891 10.1891 11.5434 11.5434 k = 0.0409 0.0709-0.0000 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4325 -1.4325 0.2238 0.2238 3.5372 3.5372 6.9210 6.9210 7.1290 7.1290 7.6479 7.6479 8.1235 8.1235 8.1606 8.1606 8.7293 8.7293 9.5739 9.5739 9.7733 9.7733 9.9251 9.9251 10.0658 10.0658 11.5552 11.5552 k = 0.0351 0.0608-0.0000 ( 7157 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4508 -1.4508 0.2170 0.2170 3.5131 3.5131 6.9717 6.9717 7.1282 7.1282 7.6417 7.6417 8.2323 8.2323 8.2587 8.2587 8.7761 8.7761 9.5997 9.5997 9.7535 9.7535 9.8393 9.8393 9.9469 9.9469 11.5648 11.5648 k = 0.0292 0.0506-0.0000 ( 7151 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4663 -1.4663 0.2113 0.2113 3.4926 3.4926 7.0157 7.0157 7.1270 7.1270 7.6362 7.6362 8.3350 8.3350 8.3555 8.3555 8.8180 8.8180 9.6190 9.6190 9.7368 9.7368 9.7570 9.7570 9.8339 9.8339 11.5718 11.5718 k = 0.0234 0.0405-0.0000 ( 7147 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4790 -1.4790 0.2066 0.2066 3.4758 3.4758 7.0524 7.0524 7.1257 7.1257 7.6317 7.6317 8.4290 8.4290 8.4488 8.4488 8.8540 8.8540 9.6302 9.6302 9.6756 9.6756 9.7254 9.7254 9.7332 9.7332 11.5760 11.5760 k = 0.0175 0.0304-0.0000 ( 7137 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4889 -1.4889 0.2030 0.2030 3.4627 3.4627 7.0811 7.0811 7.1248 7.1248 7.6282 7.6282 8.5119 8.5119 8.5343 8.5343 8.8833 8.8833 9.5976 9.5976 9.6318 9.6318 9.6462 9.6462 9.7241 9.7241 11.5769 11.5769 k = 0.0117 0.0203-0.0000 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4959 -1.4959 0.2004 0.2004 3.4534 3.4534 7.1009 7.1009 7.1250 7.1250 7.6257 7.6257 8.5794 8.5794 8.6052 8.6052 8.9049 8.9049 9.5366 9.5366 9.5605 9.5605 9.6443 9.6443 9.7219 9.7219 11.5751 11.5751 k = 0.0058 0.0101-0.0000 ( 7155 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5002 -1.5002 0.1988 0.1988 3.4478 3.4478 7.1109 7.1109 7.1272 7.1272 7.6241 7.6241 8.6249 8.6249 8.6535 8.6535 8.9181 8.9181 9.4918 9.4918 9.5129 9.5129 9.6445 9.6445 9.7216 9.7216 11.5724 11.5724 k = 0.0000 0.0000 0.0000 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5016 -1.5016 0.1983 0.1983 3.4459 3.4459 7.1132 7.1132 7.1289 7.1289 7.6236 7.6236 8.6412 8.6412 8.6710 8.6710 8.9225 8.9225 9.4749 9.4749 9.4966 9.4966 9.6444 9.6444 9.7216 9.7216 11.5712 11.5712 k = 0.0000 0.0000 0.0000 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5016 -1.5016 0.1983 0.1983 3.4459 3.4459 7.1132 7.1132 7.1289 7.1289 7.6236 7.6236 8.6412 8.6412 8.6710 8.6710 8.9225 8.9225 9.4749 9.4749 9.4966 9.4966 9.6444 9.6444 9.7216 9.7216 11.5712 11.5712 k = 0.0000 0.0000 0.0117 ( 7137 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.5001 -1.5001 0.1945 0.1945 3.4517 3.4517 7.1145 7.1145 7.1302 7.1302 7.6139 7.6139 8.6430 8.6430 8.6728 8.6728 8.9297 8.9297 9.4359 9.4359 9.4418 9.4418 9.7010 9.7010 9.7624 9.7624 11.5557 11.5557 k = 0.0000 0.0000 0.0234 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4958 -1.4958 0.1830 0.1830 3.4689 3.4689 7.1185 7.1185 7.1341 7.1341 7.5853 7.5853 8.6487 8.6487 8.6785 8.6785 8.9506 8.9506 9.3489 9.3489 9.3551 9.3551 9.7994 9.7994 9.8488 9.8488 11.5115 11.5116 k = 0.0000 0.0000 0.0351 ( 7143 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4885 -1.4885 0.1642 0.1642 3.4972 3.4972 7.1251 7.1251 7.1407 7.1407 7.5394 7.5394 8.6581 8.6581 8.6879 8.6879 8.9837 8.9837 9.2513 9.2513 9.2632 9.2632 9.9061 9.9061 9.9499 9.9499 11.4444 11.4444 k = 0.0000 0.0000 0.0468 ( 7143 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4782 -1.4782 0.1384 0.1384 3.5363 3.5363 7.1343 7.1343 7.1500 7.1500 7.4784 7.4784 8.6712 8.6712 8.7011 8.7011 9.0267 9.0267 9.1539 9.1539 9.1693 9.1693 10.0163 10.0163 10.0571 10.0571 11.3607 11.3607 k = 0.0000 0.0000 0.0585 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4652 -1.4652 0.1063 0.1063 3.5856 3.5856 7.1461 7.1461 7.1619 7.1619 7.4046 7.4046 8.6881 8.6881 8.7179 8.7179 9.0578 9.0578 9.0611 9.0611 9.0923 9.0923 10.1285 10.1285 10.1676 10.1676 11.2663 11.2663 k = 0.0000 0.0000 0.0702 ( 7137 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4492 -1.4492 0.0684 0.0684 3.6444 3.6444 7.1606 7.1606 7.1764 7.1764 7.3201 7.3201 8.7088 8.7088 8.7381 8.7381 8.9638 8.9638 8.9777 8.9777 9.1409 9.1409 10.2420 10.2420 10.2798 10.2798 11.1658 11.1658 k = 0.0000 0.0000 0.0819 ( 7137 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4304 -1.4304 0.0255 0.0255 3.7120 3.7120 7.1777 7.1777 7.1935 7.1935 7.2266 7.2266 8.7331 8.7331 8.7605 8.7605 8.8733 8.8733 8.8862 8.8862 9.2045 9.2045 10.3559 10.3559 10.3922 10.3922 11.0629 11.0629 k = 0.0000 0.0000 0.0936 ( 7149 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.4087 -1.4087 -0.0219 -0.0219 3.7878 3.7878 7.1256 7.1256 7.1974 7.1974 7.2133 7.2133 8.7612 8.7612 8.7621 8.7621 8.7960 8.7960 8.8094 8.8094 9.2728 9.2728 10.4681 10.4681 10.5015 10.5015 10.9628 10.9628 k = 0.0000 0.0000 0.1053 ( 7173 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3843 -1.3843 -0.0729 -0.0729 3.8709 3.8709 7.0183 7.0183 7.2197 7.2197 7.2357 7.2357 8.6856 8.6856 8.7076 8.7076 8.7931 8.7931 8.8294 8.8294 9.3449 9.3449 10.5723 10.5723 10.5959 10.5959 10.8785 10.8785 k = 0.0000 0.0000 0.1170 ( 7179 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3572 -1.3572 -0.1271 -0.1271 3.9608 3.9608 6.9058 6.9058 7.2447 7.2447 7.2607 7.2607 8.6007 8.6007 8.6212 8.6212 8.8286 8.8286 8.8638 8.8638 9.4202 9.4202 10.6261 10.6261 10.6381 10.6381 10.8600 10.8605 k = 0.0000 0.0000 0.1287 ( 7179 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.3273 -1.3273 -0.1836 -0.1836 4.0568 4.0568 6.7888 6.7888 7.2722 7.2722 7.2884 7.2884 8.5170 8.5170 8.5369 8.5369 8.8677 8.8677 8.9029 8.9029 9.4982 9.4982 10.5640 10.5640 10.6051 10.6051 10.9060 10.9060 k = 0.0000 0.0000 0.1404 ( 7179 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2948 -1.2948 -0.2421 -0.2421 4.1582 4.1582 6.6681 6.6681 7.3023 7.3023 7.3186 7.3186 8.4352 8.4352 8.4548 8.4548 8.9106 8.9106 8.9461 8.9461 9.5787 9.5787 10.4708 10.4708 10.5174 10.5174 11.0086 11.0086 k = 0.0000 0.0000 0.1521 ( 7197 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2597 -1.2597 -0.3019 -0.3019 4.2646 4.2646 6.5444 6.5444 7.3351 7.3351 7.3514 7.3514 8.3556 8.3556 8.3750 8.3750 8.9571 8.9571 8.9930 8.9930 9.6616 9.6616 10.3713 10.3713 10.4180 10.4180 11.1257 11.1257 k = 0.0000 0.0000 0.1638 ( 7215 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.2221 -1.2221 -0.3627 -0.3627 4.3753 4.3753 6.4180 6.4180 7.3704 7.3704 7.3869 7.3869 8.2782 8.2782 8.2974 8.2974 9.0072 9.0072 9.0437 9.0437 9.7464 9.7464 10.2715 10.2715 10.3166 10.3166 11.2478 11.2479 k = 0.0000 0.0000 0.1755 ( 7227 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1820 -1.1820 -0.4240 -0.4240 4.4899 4.4899 6.2896 6.2896 7.4083 7.4083 7.4249 7.4249 8.2032 8.2032 8.2221 8.2221 9.0609 9.0609 9.0981 9.0981 9.8323 9.8323 10.1740 10.1740 10.2158 10.2158 11.2948 11.2948 k = 0.0000 0.0000 0.1871 ( 7251 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.1395 -1.1395 -0.4853 -0.4853 4.6080 4.6080 6.1596 6.1596 7.4487 7.4487 7.4655 7.4655 8.1305 8.1305 8.1492 8.1492 9.1181 9.1181 9.1561 9.1561 9.9149 9.9149 10.0840 10.0840 10.1168 10.1168 11.1821 11.1821 k = 0.0000 0.0000 0.1988 ( 7239 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0947 -1.0947 -0.5465 -0.5465 4.7291 4.7291 6.0283 6.0283 7.4918 7.4918 7.5086 7.5086 8.0602 8.0602 8.0787 8.0787 9.1789 9.1789 9.2177 9.2177 9.9438 9.9438 10.0200 10.0200 10.0525 10.0525 11.0698 11.0698 k = 0.0000 0.0000 0.2105 ( 7233 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -1.0477 -1.0477 -0.6072 -0.6072 4.8529 4.8529 5.8963 5.8963 7.5373 7.5373 7.5543 7.5543 7.9922 7.9922 8.0106 8.0106 9.2432 9.2432 9.2829 9.2829 9.8705 9.8705 9.9257 9.9257 10.1280 10.1280 10.9582 10.9582 k = 0.0000 0.0000 0.2222 ( 7234 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.9987 -0.9987 -0.6671 -0.6671 4.9789 4.9789 5.7638 5.7638 7.5854 7.5854 7.6026 7.6026 7.9267 7.9267 7.9449 7.9449 9.3109 9.3109 9.3516 9.3516 9.7841 9.7841 9.8343 9.8343 10.2218 10.2218 10.8477 10.8477 k = 0.0000 0.0000 0.2339 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.9476 -0.9476 -0.7260 -0.7260 5.1069 5.1069 5.6312 5.6312 7.6361 7.6361 7.6534 7.6534 7.8636 7.8636 7.8816 7.8816 9.3820 9.3820 9.4238 9.4238 9.6982 9.6982 9.7458 9.7458 10.3202 10.3202 10.7385 10.7385 k = 0.0000 0.0000 0.2456 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8946 -0.8946 -0.7836 -0.7836 5.2364 5.2364 5.4989 5.4989 7.6892 7.6892 7.7067 7.7067 7.8030 7.8030 7.8209 7.8209 9.4564 9.4564 9.4993 9.4993 9.6147 9.6147 9.6604 9.6604 10.4215 10.4215 10.6309 10.6309 k = 0.0000 0.0000 0.2573 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8400 -0.8400 -0.8398 -0.8398 5.3671 5.3671 5.3673 5.3673 7.7447 7.7447 7.7451 7.7451 7.7623 7.7623 7.7628 7.7628 9.5337 9.5337 9.5343 9.5343 9.5780 9.5780 9.5785 9.5785 10.5250 10.5250 10.5253 10.5253 k = 0.0000 0.0000 0.2573 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8400 -0.8400 -0.8398 -0.8398 5.3671 5.3671 5.3673 5.3673 7.7447 7.7447 7.7451 7.7451 7.7623 7.7623 7.7628 7.7628 9.5337 9.5337 9.5343 9.5343 9.5780 9.5780 9.5785 9.5785 10.5250 10.5250 10.5253 10.5253 k = 0.0102 0.0059 0.2573 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8388 -0.8388 -0.8386 -0.8386 5.3681 5.3681 5.3683 5.3683 7.7401 7.7401 7.7405 7.7405 7.7585 7.7585 7.7589 7.7589 9.5309 9.5309 9.5314 9.5314 9.5762 9.5762 9.5768 9.5768 10.5328 10.5328 10.5332 10.5332 k = 0.0204 0.0118 0.2573 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8352 -0.8352 -0.8350 -0.8350 5.3710 5.3710 5.3713 5.3713 7.7235 7.7235 7.7239 7.7239 7.7501 7.7501 7.7505 7.7505 9.5207 9.5207 9.5212 9.5212 9.5733 9.5733 9.5738 9.5738 10.5555 10.5555 10.5559 10.5559 k = 0.0306 0.0177 0.2573 ( 7244 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8292 -0.8292 -0.8291 -0.8291 5.3759 5.3759 5.3761 5.3761 7.6926 7.6926 7.6930 7.6930 7.7400 7.7400 7.7404 7.7404 9.5007 9.5007 9.5012 9.5012 9.5729 9.5729 9.5734 9.5734 10.5913 10.5913 10.5916 10.5916 k = 0.0408 0.0236 0.2573 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8209 -0.8209 -0.8207 -0.8207 5.3827 5.3827 5.3829 5.3829 7.6488 7.6488 7.6492 7.6492 7.7274 7.7274 7.7278 7.7278 9.4717 9.4717 9.4721 9.4721 9.5762 9.5762 9.5766 9.5766 10.6376 10.6376 10.6379 10.6379 k = 0.0510 0.0295 0.2573 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8102 -0.8102 -0.8100 -0.8100 5.3913 5.3913 5.3915 5.3915 7.5937 7.5937 7.5941 7.5941 7.7120 7.7120 7.7123 7.7123 9.4358 9.4358 9.4361 9.4361 9.5825 9.5825 9.5830 9.5830 10.6915 10.6915 10.6918 10.6918 k = 0.0612 0.0353 0.2573 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7971 -0.7971 -0.7969 -0.7969 5.4017 5.4017 5.4019 5.4019 7.5286 7.5286 7.5290 7.5290 7.6935 7.6935 7.6938 7.6938 9.3950 9.3950 9.3953 9.3953 9.5916 9.5916 9.5921 9.5921 10.7504 10.7504 10.7506 10.7506 k = 0.0714 0.0412 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7817 -0.7817 -0.7815 -0.7815 5.4137 5.4137 5.4140 5.4140 7.4549 7.4549 7.4553 7.4553 7.6720 7.6720 7.6724 7.6724 9.3504 9.3504 9.3506 9.3506 9.6034 9.6034 9.6038 9.6038 10.8116 10.8116 10.8118 10.8118 k = 0.0816 0.0471 0.2573 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7640 -0.7640 -0.7638 -0.7638 5.4273 5.4273 5.4276 5.4276 7.3738 7.3738 7.3741 7.3741 7.6477 7.6477 7.6480 7.6480 9.3029 9.3029 9.3031 9.3031 9.6180 9.6180 9.6183 9.6183 10.8729 10.8729 10.8732 10.8732 k = 0.0918 0.0530 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7439 -0.7439 -0.7438 -0.7438 5.4423 5.4423 5.4425 5.4425 7.2865 7.2865 7.2868 7.2868 7.6207 7.6207 7.6210 7.6210 9.2531 9.2531 9.2532 9.2532 9.6354 9.6354 9.6357 9.6357 10.9323 10.9323 10.9325 10.9325 k = 0.1020 0.0589 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7216 -0.7216 -0.7215 -0.7215 5.4585 5.4585 5.4587 5.4587 7.1943 7.1943 7.1945 7.1945 7.5911 7.5911 7.5914 7.5914 9.2012 9.2012 9.2014 9.2014 9.6559 9.6559 9.6561 9.6561 10.9879 10.9879 10.9882 10.9882 k = 0.1122 0.0648 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6971 -0.6971 -0.6969 -0.6969 5.4755 5.4755 5.4757 5.4757 7.0982 7.0982 7.0985 7.0985 7.5593 7.5593 7.5595 7.5595 9.1476 9.1476 9.1478 9.1478 9.6794 9.6794 9.6796 9.6796 11.0384 11.0384 11.0386 11.0386 k = 0.1224 0.0707 0.2573 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6704 -0.6704 -0.6702 -0.6702 5.4931 5.4931 5.4933 5.4933 6.9996 6.9996 6.9998 6.9998 7.5253 7.5253 7.5255 7.5255 9.0925 9.0925 9.0926 9.0926 9.7062 9.7062 9.7063 9.7063 11.0827 11.0827 11.0829 11.0829 k = 0.1327 0.0766 0.2573 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6415 -0.6415 -0.6413 -0.6413 5.5106 5.5106 5.5108 5.5108 6.8995 6.8995 6.8997 6.8997 7.4894 7.4894 7.4896 7.4896 9.0360 9.0360 9.0362 9.0362 9.7362 9.7362 9.7363 9.7363 11.1203 11.1203 11.1205 11.1205 k = 0.1429 0.0825 0.2573 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6104 -0.6104 -0.6102 -0.6102 5.5275 5.5275 5.5277 5.5277 6.7992 6.7992 6.7995 6.7995 7.4520 7.4520 7.4521 7.4521 8.9784 8.9784 8.9785 8.9785 9.7695 9.7695 9.7696 9.7696 11.1511 11.1511 11.1514 11.1514 k = 0.1531 0.0884 0.2573 ( 7184 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5773 -0.5773 -0.5771 -0.5771 5.5427 5.5427 5.5429 5.5429 6.7004 6.7004 6.7006 6.7006 7.4131 7.4131 7.4132 7.4132 8.9198 8.9198 8.9199 8.9199 9.8062 9.8062 9.8062 9.8062 11.1756 11.1756 11.1759 11.1759 k = 0.1633 0.0943 0.2573 ( 7172 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5421 -0.5421 -0.5419 -0.5419 5.5549 5.5549 5.5550 5.5550 6.6046 6.6046 6.6048 6.6048 7.3731 7.3731 7.3732 7.3732 8.8604 8.8604 8.8606 8.8606 9.8461 9.8461 9.8462 9.8462 11.1945 11.1945 11.1948 11.1948 k = 0.1735 0.1002 0.2573 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5049 -0.5049 -0.5048 -0.5048 5.5622 5.5622 5.5623 5.5623 6.5142 6.5142 6.5144 6.5144 7.3323 7.3323 7.3324 7.3324 8.8004 8.8004 8.8006 8.8006 9.8893 9.8893 9.8894 9.8894 11.2085 11.2085 11.2089 11.2089 k = 0.1837 0.1060 0.2573 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4658 -0.4658 -0.4656 -0.4656 5.5621 5.5621 5.5622 5.5622 6.4319 6.4319 6.4321 6.4321 7.2908 7.2908 7.2908 7.2908 8.7400 8.7400 8.7402 8.7402 9.9358 9.9358 9.9359 9.9359 11.2187 11.2187 11.2190 11.2190 k = 0.1939 0.1119 0.2573 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4248 -0.4248 -0.4246 -0.4246 5.5516 5.5516 5.5517 5.5517 6.3612 6.3612 6.3614 6.3614 7.2488 7.2488 7.2489 7.2489 8.6795 8.6795 8.6797 8.6797 9.9854 9.9854 9.9855 9.9855 11.2259 11.2259 11.2262 11.2262 k = 0.2041 0.1178 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3820 -0.3820 -0.3818 -0.3818 5.5274 5.5274 5.5275 5.5275 6.3052 6.3052 6.3055 6.3055 7.2067 7.2067 7.2067 7.2067 8.6189 8.6189 8.6192 8.6192 10.0381 10.0381 10.0383 10.0383 11.2308 11.2308 11.2311 11.2311 k = 0.2143 0.1237 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3374 -0.3374 -0.3373 -0.3373 5.4874 5.4874 5.4875 5.4875 6.2665 6.2665 6.2667 6.2667 7.1645 7.1645 7.1646 7.1646 8.5586 8.5586 8.5588 8.5588 10.0939 10.0939 10.0940 10.0940 11.2341 11.2341 11.2344 11.2344 k = 0.2245 0.1296 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2912 -0.2912 -0.2910 -0.2910 5.4315 5.4315 5.4315 5.4315 6.2453 6.2453 6.2456 6.2456 7.1225 7.1225 7.1226 7.1226 8.4987 8.4987 8.4990 8.4990 10.1525 10.1525 10.1527 10.1527 11.2362 11.2362 11.2365 11.2365 k = 0.2347 0.1355 0.2573 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2434 -0.2434 -0.2432 -0.2432 5.3614 5.3614 5.3614 5.3614 6.2399 6.2399 6.2402 6.2402 7.0809 7.0809 7.0810 7.0810 8.4394 8.4394 8.4397 8.4397 10.2140 10.2140 10.2142 10.2142 11.2376 11.2376 11.2379 11.2379 k = 0.2449 0.1414 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1940 -0.1940 -0.1939 -0.1939 5.2801 5.2801 5.2801 5.2801 6.2474 6.2474 6.2476 6.2476 7.0398 7.0398 7.0399 7.0399 8.3810 8.3810 8.3813 8.3813 10.2782 10.2782 10.2784 10.2784 11.2386 11.2386 11.2388 11.2388 k = 0.2551 0.1473 0.2573 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1433 -0.1433 -0.1432 -0.1432 5.1907 5.1907 5.1907 5.1907 6.2647 6.2647 6.2649 6.2649 6.9994 6.9994 6.9995 6.9995 8.3236 8.3236 8.3239 8.3239 10.3449 10.3449 10.3452 10.3452 11.2392 11.2392 11.2395 11.2395 k = 0.2653 0.1532 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0912 -0.0912 -0.0911 -0.0911 5.0957 5.0957 5.0958 5.0958 6.2893 6.2893 6.2896 6.2896 6.9598 6.9598 6.9599 6.9599 8.2674 8.2674 8.2678 8.2678 10.4141 10.4141 10.4144 10.4144 11.2397 11.2397 11.2399 11.2399 k = 0.2755 0.1591 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0380 -0.0380 -0.0379 -0.0379 4.9972 4.9972 4.9973 4.9973 6.3193 6.3193 6.3196 6.3196 6.9211 6.9211 6.9212 6.9212 8.2127 8.2127 8.2130 8.2130 10.4857 10.4857 10.4860 10.4860 11.2399 11.2399 11.2402 11.2402 k = 0.2857 0.1650 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0163 0.0163 0.0164 0.0164 4.8966 4.8966 4.8967 4.8967 6.3532 6.3532 6.3534 6.3534 6.8836 6.8836 6.8837 6.8837 8.1595 8.1595 8.1598 8.1598 10.5595 10.5595 10.5598 10.5598 11.2400 11.2400 11.2402 11.2402 k = 0.2959 0.1708 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0715 0.0715 0.0716 0.0716 4.7951 4.7951 4.7951 4.7951 6.3898 6.3898 6.3900 6.3900 6.8472 6.8472 6.8473 6.8473 8.1081 8.1081 8.1084 8.1084 10.6353 10.6353 10.6356 10.6356 11.2397 11.2397 11.2400 11.2400 k = 0.3061 0.1767 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1275 0.1275 0.1276 0.1276 4.6934 4.6934 4.6934 4.6934 6.4283 6.4283 6.4285 6.4285 6.8121 6.8121 6.8122 6.8122 8.0586 8.0586 8.0589 8.0589 10.7131 10.7131 10.7134 10.7134 11.2390 11.2390 11.2393 11.2393 k = 0.3163 0.1826 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1841 0.1841 0.1842 0.1842 4.5922 4.5922 4.5923 4.5923 6.4679 6.4679 6.4682 6.4682 6.7784 6.7784 6.7785 6.7785 8.0111 8.0111 8.0115 8.0115 10.7927 10.7927 10.7930 10.7930 11.2378 11.2378 11.2380 11.2380 k = 0.3265 0.1885 0.2573 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2411 0.2411 0.2412 0.2412 4.4922 4.4922 4.4922 4.4922 6.5081 6.5081 6.5084 6.5084 6.7462 6.7462 6.7463 6.7463 7.9659 7.9659 7.9662 7.9662 10.8738 10.8738 10.8742 10.8742 11.2358 11.2358 11.2360 11.2360 k = 0.3367 0.1944 0.2573 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2983 0.2983 0.2984 0.2984 4.3937 4.3937 4.3938 4.3938 6.5483 6.5483 6.5485 6.5485 6.7157 6.7157 6.7159 6.7159 7.9230 7.9230 7.9234 7.9234 10.9564 10.9564 10.9567 10.9567 11.2330 11.2330 11.2332 11.2332 k = 0.3469 0.2003 0.2573 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3554 0.3554 0.3555 0.3555 4.2972 4.2972 4.2973 4.2973 6.5875 6.5875 6.5877 6.5877 6.6874 6.6874 6.6876 6.6876 7.8826 7.8826 7.8830 7.8830 11.0400 11.0400 11.0403 11.0403 11.2294 11.2294 11.2296 11.2296 k = 0.3571 0.2062 0.2573 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4122 0.4122 0.4123 0.4123 4.2032 4.2032 4.2033 4.2033 6.6226 6.6226 6.6227 6.6227 6.6641 6.6641 6.6643 6.6643 7.8448 7.8448 7.8452 7.8452 11.1239 11.1239 11.1242 11.1242 11.2255 11.2255 11.2257 11.2257 k = 0.3673 0.2121 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4684 0.4684 0.4685 0.4685 4.1121 4.1121 4.1122 4.1122 6.6257 6.6257 6.6258 6.6258 6.6734 6.6734 6.6735 6.6735 7.8098 7.8098 7.8101 7.8101 11.1978 11.1978 11.1980 11.1980 11.2315 11.2315 11.2317 11.2317 k = 0.3776 0.2180 0.2573 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5236 0.5236 0.5237 0.5237 4.0244 4.0244 4.0245 4.0245 6.6047 6.6047 6.6049 6.6049 6.7069 6.7069 6.7071 6.7071 7.7775 7.7775 7.7779 7.7779 11.2057 11.2057 11.2059 11.2059 11.3030 11.3030 11.3033 11.3033 k = 0.3878 0.2239 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5775 0.5775 0.5775 0.5775 3.9404 3.9404 3.9405 3.9405 6.5831 6.5831 6.5833 6.5833 6.7410 6.7410 6.7412 6.7412 7.7481 7.7481 7.7485 7.7485 11.1986 11.1986 11.1988 11.1988 11.3890 11.3890 11.3894 11.3894 k = 0.3980 0.2298 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6295 0.6295 0.6296 0.6296 3.8607 3.8607 3.8608 3.8608 6.5629 6.5629 6.5630 6.5630 6.7733 6.7733 6.7735 6.7735 7.7216 7.7216 7.7220 7.7220 11.1897 11.1897 11.1898 11.1898 11.4764 11.4764 11.4767 11.4767 k = 0.4082 0.2357 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6793 0.6793 0.6793 0.6793 3.7858 3.7858 3.7860 3.7860 6.5443 6.5443 6.5445 6.5445 6.8033 6.8033 6.8035 6.8035 7.6981 7.6981 7.6985 7.6985 11.1798 11.1798 11.1799 11.1799 11.5641 11.5641 11.5644 11.5644 k = 0.4184 0.2415 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7262 0.7262 0.7263 0.7263 3.7164 3.7164 3.7165 3.7165 6.5276 6.5276 6.5278 6.5278 6.8307 6.8307 6.8309 6.8309 7.6775 7.6775 7.6779 7.6779 11.1696 11.1696 11.1696 11.1696 11.6516 11.6516 11.6520 11.6520 k = 0.4286 0.2474 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7698 0.7698 0.7698 0.7698 3.6529 3.6529 3.6530 3.6530 6.5127 6.5127 6.5129 6.5129 6.8551 6.8551 6.8553 6.8553 7.6598 7.6598 7.6602 7.6602 11.1593 11.1593 11.1593 11.1593 11.7386 11.7386 11.7389 11.7389 k = 0.4388 0.2533 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8093 0.8093 0.8094 0.8094 3.5960 3.5960 3.5961 3.5961 6.4998 6.4998 6.5000 6.5000 6.8764 6.8764 6.8766 6.8766 7.6449 7.6449 7.6453 7.6453 11.1493 11.1493 11.1494 11.1494 11.8244 11.8244 11.8248 11.8248 k = 0.4490 0.2592 0.2573 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8442 0.8442 0.8443 0.8443 3.5464 3.5464 3.5465 3.5465 6.4888 6.4888 6.4890 6.4890 6.8945 6.8945 6.8947 6.8947 7.6327 7.6327 7.6331 7.6331 11.1401 11.1401 11.1402 11.1402 11.9085 11.9085 11.9089 11.9089 k = 0.4592 0.2651 0.2573 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8739 0.8739 0.8739 0.8739 3.5047 3.5047 3.5049 3.5049 6.4798 6.4798 6.4800 6.4800 6.9093 6.9093 6.9095 6.9095 7.6231 7.6231 7.6234 7.6234 11.1321 11.1321 11.1321 11.1321 11.9896 11.9896 11.9900 11.9900 k = 0.4694 0.2710 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8976 0.8976 0.8977 0.8977 3.4716 3.4716 3.4717 3.4717 6.4728 6.4728 6.4730 6.4730 6.9208 6.9208 6.9210 6.9210 7.6158 7.6158 7.6161 7.6161 11.1254 11.1254 11.1254 11.1254 12.0656 12.0656 12.0661 12.0661 k = 0.4796 0.2769 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9150 0.9150 0.9151 0.9151 3.4475 3.4475 3.4476 3.4476 6.4678 6.4678 6.4679 6.4679 6.9290 6.9290 6.9292 6.9292 7.6107 7.6107 7.6110 7.6110 11.1204 11.1204 11.1205 11.1205 12.1327 12.1327 12.1332 12.1332 k = 0.4898 0.2828 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9257 0.9257 0.9257 0.9257 3.4328 3.4328 3.4330 3.4330 6.4647 6.4647 6.4649 6.4649 6.9339 6.9339 6.9341 6.9341 7.6077 7.6077 7.6080 7.6080 11.1174 11.1174 11.1174 11.1174 12.1827 12.1827 12.1833 12.1833 k = 0.5000 0.2887 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9292 0.9292 0.9293 0.9293 3.4279 3.4279 3.4281 3.4281 6.4637 6.4637 6.4639 6.4639 6.9356 6.9356 6.9357 6.9357 7.6067 7.6067 7.6070 7.6070 11.1164 11.1164 11.1164 11.1164 12.2022 12.2022 12.2028 12.2028 k = 0.5000 0.2887 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9292 0.9292 0.9293 0.9293 3.4279 3.4279 3.4281 3.4281 6.4637 6.4637 6.4639 6.4639 6.9356 6.9356 6.9357 6.9357 7.6067 7.6067 7.6070 7.6070 11.1164 11.1164 11.1164 11.1164 12.2022 12.2022 12.2028 12.2028 k = 0.4943 0.2986 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9293 0.9293 0.9306 0.9306 3.4284 3.4284 3.4296 3.4296 6.4556 6.4556 6.4577 6.4577 6.9363 6.9363 6.9365 6.9365 7.6087 7.6087 7.6095 7.6095 11.1207 11.1207 11.1220 11.1220 12.2010 12.2010 12.2018 12.2018 k = 0.4885 0.3086 0.2573 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9308 0.9308 0.9333 0.9333 3.4310 3.4310 3.4333 3.4333 6.4335 6.4335 6.4375 6.4375 6.9384 6.9384 6.9388 6.9388 7.6149 7.6149 7.6164 7.6164 11.1348 11.1348 11.1373 11.1373 12.1977 12.1977 12.1987 12.1987 k = 0.4828 0.3185 0.2573 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9336 0.9336 0.9375 0.9375 3.4355 3.4355 3.4391 3.4391 6.3985 6.3985 6.4042 6.4042 6.9413 6.9413 6.9422 6.9422 7.6249 7.6249 7.6273 7.6273 11.1581 11.1581 11.1619 11.1619 12.1926 12.1926 12.1937 12.1937 k = 0.4770 0.3285 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9379 0.9379 0.9430 0.9430 3.4422 3.4422 3.4468 3.4468 6.3523 6.3523 6.3594 6.3594 6.9446 6.9446 6.9465 6.9465 7.6380 7.6380 7.6413 7.6413 11.1899 11.1899 11.1947 11.1947 12.1862 12.1862 12.1873 12.1873 k = 0.4713 0.3384 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9434 0.9434 0.9498 0.9498 3.4508 3.4508 3.4567 3.4567 6.2963 6.2963 6.3045 6.3045 6.9480 6.9480 6.9511 6.9511 7.6535 7.6535 7.6579 7.6579 11.2288 11.2288 11.2347 11.2347 12.1791 12.1791 12.1800 12.1800 k = 0.4655 0.3484 0.2573 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9503 0.9503 0.9580 0.9580 3.4614 3.4614 3.4684 3.4684 6.2321 6.2321 6.2412 6.2412 6.9512 6.9512 6.9558 6.9558 7.6705 7.6705 7.6763 7.6763 11.2732 11.2732 11.2799 11.2799 12.1722 12.1722 12.1728 12.1728 k = 0.4598 0.3584 0.2573 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9585 0.9585 0.9674 0.9674 3.4740 3.4740 3.4822 3.4822 6.1609 6.1609 6.1708 6.1708 6.9543 6.9543 6.9605 6.9605 7.6886 7.6886 7.6957 7.6957 11.3211 11.3211 11.3285 11.3285 12.1663 12.1663 12.1671 12.1671 k = 0.4540 0.3683 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9679 0.9679 0.9780 0.9780 3.4886 3.4886 3.4979 3.4979 6.0840 6.0840 6.0946 6.0946 6.9570 6.9570 6.9651 6.9651 7.7070 7.7070 7.7157 7.7157 11.3701 11.3701 11.3780 11.3780 12.1625 12.1625 12.1643 12.1643 k = 0.4483 0.3783 0.2573 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9785 0.9785 0.9898 0.9898 3.5049 3.5049 3.5154 3.5154 6.0025 6.0025 6.0137 6.0137 6.9596 6.9596 6.9695 6.9695 7.7255 7.7255 7.7358 7.7358 11.4173 11.4173 11.4255 11.4255 12.1623 12.1623 12.1654 12.1654 k = 0.4425 0.3882 0.2573 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9901 0.9901 1.0027 1.0027 3.5231 3.5231 3.5347 3.5347 5.9175 5.9175 5.9292 5.9292 6.9621 6.9621 6.9737 6.9737 7.7437 7.7437 7.7557 7.7557 11.4603 11.4603 11.4685 11.4685 12.1664 12.1664 12.1713 12.1713 k = 0.4368 0.3982 0.2573 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0028 1.0028 1.0166 1.0166 3.5431 3.5431 3.5557 3.5557 5.8296 5.8296 5.8419 5.8419 6.9644 6.9644 6.9778 6.9778 7.7613 7.7613 7.7750 7.7750 11.4966 11.4966 11.5047 11.5047 12.1753 12.1753 12.1821 12.1821 k = 0.4310 0.4081 0.2573 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0165 1.0165 1.0314 1.0314 3.5646 3.5646 3.5784 3.5784 5.7398 5.7398 5.7525 5.7525 6.9666 6.9666 6.9818 6.9818 7.7782 7.7782 7.7936 7.7936 11.5251 11.5251 11.5328 11.5328 12.1881 12.1881 12.1971 12.1971 k = 0.4253 0.4181 0.2573 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0309 1.0309 1.0471 1.0471 3.5878 3.5878 3.6026 3.6026 5.6488 5.6488 5.6619 5.6619 6.9687 6.9687 6.9856 6.9856 7.7942 7.7942 7.8114 7.8114 11.5457 11.5457 11.5528 11.5528 12.2036 12.2036 12.2149 12.2149 k = 0.4195 0.4280 0.2573 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0461 1.0461 1.0634 1.0634 3.6123 3.6123 3.6283 3.6283 5.5572 5.5572 5.5707 5.5707 6.9709 6.9709 6.9894 6.9894 7.8092 7.8092 7.8281 7.8281 11.5592 11.5592 11.5656 11.5656 12.2203 12.2203 12.2337 12.2337 k = 0.4138 0.4380 0.2573 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0619 1.0619 1.0803 1.0803 3.6382 3.6382 3.6553 3.6553 5.4657 5.4657 5.4796 5.4796 6.9730 6.9730 6.9931 6.9931 7.8232 7.8232 7.8438 7.8438 11.5674 11.5674 11.5730 11.5730 12.2370 12.2370 12.2524 12.2524 k = 0.4080 0.4479 0.2573 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0782 1.0782 1.0977 1.0977 3.6653 3.6653 3.6835 3.6835 5.3749 5.3749 5.3891 5.3891 6.9751 6.9751 6.9967 6.9967 7.8361 7.8361 7.8584 7.8584 11.5718 11.5718 11.5767 11.5767 12.2530 12.2530 12.2703 12.2703 k = 0.4023 0.4579 0.2573 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0948 1.0948 1.1153 1.1153 3.6933 3.6933 3.7126 3.7126 5.2855 5.2855 5.3000 5.3000 6.9772 6.9772 7.0003 7.0003 7.8477 7.8477 7.8717 7.8717 11.5740 11.5740 11.5782 11.5782 12.2681 12.2681 12.2871 12.2871 k = 0.3966 0.4679 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1115 1.1115 1.1330 1.1330 3.7221 3.7221 3.7425 3.7425 5.1981 5.1981 5.2127 5.2127 6.9794 6.9794 7.0038 7.0038 7.8582 7.8582 7.8837 7.8837 11.5753 11.5753 11.5788 11.5788 12.2823 12.2823 12.3031 12.3031 k = 0.3908 0.4778 0.2573 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1281 1.1281 1.1506 1.1506 3.7514 3.7514 3.7729 3.7729 5.1134 5.1134 5.1281 5.1281 6.9815 6.9815 7.0072 7.0072 7.8675 7.8675 7.8944 7.8944 11.5767 11.5767 11.5795 11.5795 12.2958 12.2958 12.3184 12.3184 k = 0.3851 0.4878 0.2573 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1445 1.1445 1.1679 1.1679 3.7808 3.7808 3.8035 3.8035 5.0321 5.0321 5.0467 5.0467 6.9837 6.9837 7.0105 7.0105 7.8755 7.8755 7.9038 7.9038 11.5788 11.5788 11.5810 11.5810 12.3087 12.3087 12.3332 12.3332 k = 0.3793 0.4977 0.2573 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1604 1.1604 1.1847 1.1847 3.8099 3.8099 3.8339 3.8339 4.9549 4.9549 4.9694 4.9694 6.9858 6.9858 7.0137 7.0137 7.8822 7.8822 7.9118 7.9118 11.5822 11.5822 11.5838 11.5838 12.3211 12.3211 12.3478 12.3478 k = 0.3736 0.5077 0.2573 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1755 1.1755 1.2006 1.2006 3.8382 3.8382 3.8634 3.8634 4.8828 4.8828 4.8970 4.8970 6.9879 6.9879 7.0168 7.0168 7.8878 7.8878 7.9185 7.9185 11.5870 11.5870 11.5881 11.5881 12.3328 12.3328 12.3620 12.3620 k = 0.3678 0.5176 0.2573 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1896 1.1896 1.2155 1.2155 3.8651 3.8651 3.8916 3.8916 4.8168 4.8168 4.8306 4.8306 6.9899 6.9899 7.0197 7.0197 7.8922 7.8922 7.9240 7.9240 11.5931 11.5931 11.5940 11.5940 12.3436 12.3436 12.3756 12.3757 k = 0.3621 0.5276 0.2573 ( 7232 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2024 1.2024 1.2290 1.2290 3.8897 3.8897 3.9175 3.9175 4.7581 4.7581 4.7713 4.7713 6.9919 6.9919 7.0224 7.0224 7.8955 7.8955 7.9282 7.9282 11.6004 11.6004 11.6011 11.6011 12.3533 12.3533 12.3885 12.3885 k = 0.3563 0.5375 0.2573 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2137 1.2137 1.2407 1.2407 3.9112 3.9112 3.9403 3.9403 4.7079 4.7079 4.7205 4.7205 6.9936 6.9936 7.0248 7.0248 7.8978 7.8978 7.9313 7.9313 11.6084 11.6084 11.6092 11.6092 12.3613 12.3613 12.4000 12.4000 k = 0.3506 0.5475 0.2573 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2229 1.2229 1.2505 1.2505 3.9286 3.9286 3.9588 3.9588 4.6675 4.6675 4.6795 4.6795 6.9951 6.9951 7.0268 7.0268 7.8993 7.8993 7.9334 7.9334 11.6165 11.6165 11.6174 11.6174 12.3674 12.3674 12.4096 12.4096 k = 0.3448 0.5574 0.2573 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2300 1.2300 1.2579 1.2579 3.9411 3.9411 3.9723 3.9723 4.6382 4.6382 4.6496 4.6496 6.9963 6.9963 7.0284 7.0284 7.9001 7.9001 7.9346 7.9346 11.6238 11.6238 11.6248 11.6248 12.3713 12.3713 12.4163 12.4163 k = 0.3391 0.5674 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2344 1.2344 1.2625 1.2625 3.9483 3.9483 3.9802 3.9802 4.6206 4.6206 4.6316 4.6316 6.9971 6.9971 7.0294 7.0294 7.9004 7.9004 7.9352 7.9352 11.6291 11.6291 11.6302 11.6302 12.3730 12.3730 12.4200 12.4200 k = 0.3333 0.5774 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2360 1.2360 1.2641 1.2641 3.9505 3.9505 3.9827 3.9827 4.6149 4.6149 4.6257 4.6257 6.9974 6.9974 7.0298 7.0298 7.9004 7.9004 7.9354 7.9354 11.6312 11.6312 11.6324 11.6324 12.3733 12.3733 12.4210 12.4210 k = 0.3333 0.5774 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2360 1.2360 1.2641 1.2641 3.9505 3.9505 3.9827 3.9827 4.6149 4.6149 4.6257 4.6257 6.9974 6.9974 7.0298 7.0298 7.9004 7.9004 7.9354 7.9354 11.6312 11.6312 11.6324 11.6324 12.3733 12.3733 12.4210 12.4210 k = 0.3275 0.5672 0.2573 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2343 1.2343 1.2624 1.2624 3.9487 3.9487 3.9806 3.9806 4.6205 4.6205 4.6314 4.6314 6.9971 6.9971 7.0294 7.0294 7.9005 7.9005 7.9353 7.9353 11.6285 11.6285 11.6297 11.6297 12.3735 12.3735 12.4206 12.4206 k = 0.3216 0.5571 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2290 1.2290 1.2568 1.2568 3.9443 3.9443 3.9756 3.9756 4.6363 4.6363 4.6476 4.6476 6.9959 6.9959 7.0279 7.0279 7.9008 7.9008 7.9353 7.9353 11.6195 11.6195 11.6205 11.6205 12.3753 12.3753 12.4209 12.4209 k = 0.3158 0.5470 0.2573 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2198 1.2198 1.2472 1.2472 3.9392 3.9392 3.9695 3.9695 4.6608 4.6608 4.6726 4.6726 6.9938 6.9938 7.0254 7.0254 7.9017 7.9017 7.9357 7.9357 11.6030 11.6030 11.6039 11.6039 12.3801 12.3801 12.4238 12.4238 k = 0.3099 0.5368 0.2573 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2066 1.2066 1.2334 1.2334 3.9351 3.9351 3.9643 3.9643 4.6924 4.6924 4.7048 4.7048 6.9906 6.9906 7.0215 7.0215 7.9035 7.9035 7.9367 7.9367 11.5782 11.5782 11.5790 11.5790 12.3893 12.3893 12.4310 12.4310 k = 0.3041 0.5267 0.2573 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1891 1.1891 1.2153 1.2153 3.9337 3.9337 3.9614 3.9614 4.7296 4.7296 4.7425 4.7425 6.9861 6.9861 7.0160 7.0160 7.9066 7.9066 7.9388 7.9388 11.5452 11.5452 11.5459 11.5459 12.4030 12.4030 12.4429 12.4429 k = 0.2982 0.5166 0.2573 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1675 1.1675 1.1928 1.1928 3.9359 3.9359 3.9622 3.9622 4.7713 4.7713 4.7848 4.7848 6.9801 6.9801 7.0090 7.0090 7.9112 7.9112 7.9422 7.9422 11.5043 11.5043 11.5049 11.5049 12.4210 12.4210 12.4593 12.4593 k = 0.2924 0.5064 0.2573 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1417 1.1417 1.1660 1.1660 3.9426 3.9426 3.9674 3.9674 4.8168 4.8168 4.8307 4.8307 6.9725 6.9725 7.0001 7.0001 7.9176 7.9176 7.9473 7.9473 11.4562 11.4562 11.4568 11.4568 12.4424 12.4424 12.4794 12.4794 k = 0.2865 0.4963 0.2573 ( 7228 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.1117 1.1117 1.1350 1.1350 3.9544 3.9544 3.9776 3.9776 4.8652 4.8652 4.8795 4.8795 6.9631 6.9631 6.9893 6.9893 7.9262 7.9262 7.9543 7.9543 11.4019 11.4019 11.4027 11.4027 12.4660 12.4660 12.5019 12.5019 k = 0.2807 0.4862 0.2573 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0778 1.0778 1.0999 1.0999 3.9715 3.9715 3.9931 3.9931 4.9161 4.9161 4.9307 4.9307 6.9519 6.9519 6.9765 6.9765 7.9371 7.9371 7.9636 7.9636 11.3423 11.3423 11.3433 11.3433 12.4907 12.4907 12.5256 12.5256 k = 0.2749 0.4761 0.2573 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.0401 1.0401 1.0611 1.0611 3.9942 3.9942 4.0142 4.0142 4.9690 4.9690 4.9839 4.9839 6.9387 6.9387 6.9617 6.9617 7.9505 7.9505 7.9752 7.9752 11.2783 11.2783 11.2796 11.2796 12.5150 12.5150 12.5490 12.5490 k = 0.2690 0.4659 0.2573 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9989 0.9989 1.0187 1.0187 4.0223 4.0223 4.0408 4.0408 5.0237 5.0237 5.0388 5.0388 6.9236 6.9236 6.9449 6.9449 7.9667 7.9667 7.9896 7.9896 11.2107 11.2107 11.2122 11.2122 12.5378 12.5378 12.5709 12.5709 k = 0.2632 0.4558 0.2573 ( 7216 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9546 0.9546 0.9732 0.9732 4.0559 4.0559 4.0727 4.0727 5.0799 5.0799 5.0951 5.0951 6.9065 6.9065 6.9260 6.9260 7.9856 7.9856 8.0067 8.0067 11.1401 11.1401 11.1419 11.1419 12.5578 12.5578 12.5901 12.5901 k = 0.2573 0.4457 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9074 0.9074 0.9248 0.9248 4.0946 4.0946 4.1100 4.1100 5.1373 5.1373 5.1525 5.1525 6.8875 6.8875 6.9053 6.9053 8.0074 8.0074 8.0266 8.0266 11.0671 11.0671 11.0691 11.0691 12.5741 12.5741 12.6055 12.6055 k = 0.2515 0.4355 0.2573 ( 7208 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8578 0.8578 0.8739 0.8739 4.1384 4.1384 4.1523 4.1523 5.1958 5.1958 5.2110 5.2110 6.8667 6.8667 6.8828 6.8828 8.0321 8.0321 8.0496 8.0496 10.9922 10.9922 10.9945 10.9945 12.5857 12.5857 12.6162 12.6162 k = 0.2456 0.4254 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8059 0.8059 0.8208 0.8208 4.1868 4.1868 4.1994 4.1994 5.2552 5.2552 5.2704 5.2704 6.8443 6.8443 6.8587 6.8587 8.0597 8.0597 8.0754 8.0754 10.9158 10.9158 10.9184 10.9184 12.5920 12.5920 12.6214 12.6214 k = 0.2398 0.4153 0.2573 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7522 0.7522 0.7659 0.7659 4.2397 4.2397 4.2511 4.2511 5.3154 5.3154 5.3304 5.3304 6.8204 6.8204 6.8333 6.8333 8.0901 8.0901 8.1042 8.1042 10.8383 10.8383 10.8411 10.8411 12.5923 12.5923 12.6206 12.6206 k = 0.2339 0.4052 0.2573 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6969 0.6969 0.7096 0.7096 4.2968 4.2968 4.3069 4.3069 5.3761 5.3761 5.3910 5.3910 6.7953 6.7953 6.8068 6.8068 8.1233 8.1233 8.1359 8.1359 10.7601 10.7601 10.7632 10.7632 12.5864 12.5864 12.6136 12.6136 k = 0.2281 0.3950 0.2573 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6404 0.6404 0.6521 0.6521 4.3578 4.3578 4.3668 4.3668 5.4372 5.4372 5.4518 5.4518 6.7693 6.7693 6.7795 6.7795 8.1591 8.1591 8.1704 8.1704 10.6815 10.6815 10.6847 10.6847 12.5743 12.5743 12.6003 12.6003 k = 0.2222 0.3849 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5830 0.5830 0.5937 0.5937 4.4223 4.4223 4.4304 4.4304 5.4985 5.4985 5.5128 5.5128 6.7428 6.7428 6.7519 6.7519 8.1975 8.1975 8.2076 8.2076 10.6027 10.6027 10.6062 10.6062 12.5560 12.5560 12.5808 12.5808 k = 0.2164 0.3748 0.2573 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.5248 0.5248 0.5346 0.5346 4.4902 4.4902 4.4973 4.4973 5.5598 5.5598 5.5737 5.5737 6.7161 6.7161 6.7242 6.7242 8.2384 8.2384 8.2475 8.2475 10.5241 10.5241 10.5278 10.5278 12.5319 12.5319 12.5555 12.5555 k = 0.2105 0.3646 0.2573 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4663 0.4663 0.4752 0.4752 4.5611 4.5611 4.5674 4.5674 5.6207 5.6207 5.6340 5.6340 6.6898 6.6898 6.6971 6.6971 8.2816 8.2816 8.2898 8.2898 10.4459 10.4459 10.4497 10.4497 12.5024 12.5024 12.5250 12.5250 k = 0.2047 0.3545 0.2573 ( 7226 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.4075 0.4075 0.4156 0.4156 4.6347 4.6347 4.6403 4.6403 5.6808 5.6808 5.6935 5.6935 6.6644 6.6644 6.6711 6.6711 8.3271 8.3271 8.3344 8.3344 10.3684 10.3684 10.3724 10.3724 12.4681 12.4681 12.4897 12.4897 k = 0.1988 0.3444 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.3488 0.3488 0.3561 0.3561 4.7108 4.7108 4.7157 4.7157 5.7397 5.7397 5.7515 5.7515 6.6407 6.6407 6.6471 6.6471 8.3746 8.3746 8.3812 8.3812 10.2917 10.2917 10.2959 10.2959 12.4296 12.4296 12.4502 12.4502 k = 0.1930 0.3343 0.2573 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2902 0.2902 0.2969 0.2969 4.7889 4.7889 4.7933 4.7933 5.7966 5.7966 5.8074 5.8074 6.6197 6.6197 6.6260 6.6260 8.4240 8.4240 8.4301 8.4301 10.2162 10.2162 10.2205 10.2205 12.3873 12.3873 12.4071 12.4071 k = 0.1871 0.3241 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.2320 0.2320 0.2381 0.2381 4.8687 4.8687 4.8727 4.8727 5.8508 5.8508 5.8603 5.8603 6.6025 6.6025 6.6090 6.6090 8.4752 8.4752 8.4809 8.4809 10.1421 10.1421 10.1465 10.1465 12.3418 12.3418 12.3609 12.3609 k = 0.1813 0.3140 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1744 0.1744 0.1798 0.1798 4.9498 4.9498 4.9535 4.9535 5.9012 5.9012 5.9090 5.9090 6.5905 6.5905 6.5976 6.5976 8.5280 8.5280 8.5333 8.5333 10.0696 10.0696 10.0741 10.0741 12.2936 12.2936 12.3121 12.3121 k = 0.1754 0.3039 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.1174 0.1174 0.1223 0.1223 5.0316 5.0316 5.0351 5.0351 5.9465 5.9465 5.9523 5.9523 6.5854 6.5854 6.5934 6.5934 8.5821 8.5821 8.5872 8.5872 9.9988 9.9988 10.0034 10.0034 12.2431 12.2431 12.2611 12.2611 k = 0.1696 0.2937 0.2573 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0613 0.0613 0.0657 0.0657 5.1134 5.1134 5.1169 5.1169 5.9859 5.9859 5.9893 5.9893 6.5888 6.5888 6.5981 6.5981 8.6375 8.6375 8.6424 8.6424 9.9301 9.9301 9.9348 9.9348 12.1907 12.1907 12.2082 12.2082 k = 0.1637 0.2836 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.0061 0.0061 0.0100 0.0100 5.1944 5.1944 5.1980 5.1980 6.0187 6.0187 6.0195 6.0195 6.6022 6.6022 6.6129 6.6129 8.6938 8.6938 8.6986 8.6986 9.8636 9.8636 9.8684 9.8684 12.1367 12.1367 12.1537 12.1537 k = 0.1579 0.2735 0.2573 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.0480 -0.0480 -0.0445 -0.0445 5.2733 5.2733 5.2771 5.2771 6.0437 6.0437 6.0455 6.0455 6.6259 6.6259 6.6381 6.6381 8.7509 8.7509 8.7557 8.7557 9.7996 9.7996 9.8044 9.8044 12.0813 12.0813 12.0979 12.0979 k = 0.1520 0.2634 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1009 -0.1009 -0.0979 -0.0979 5.3484 5.3484 5.3527 5.3527 6.0639 6.0639 6.0684 6.0684 6.6596 6.6596 6.6731 6.6731 8.8084 8.8084 8.8133 8.8133 9.7383 9.7383 9.7431 9.7431 12.0249 12.0249 12.0410 12.0410 k = 0.1462 0.2532 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.1526 -0.1526 -0.1499 -0.1499 5.4177 5.4177 5.4224 5.4224 6.0837 6.0837 6.0904 6.0904 6.7021 6.7021 6.7166 6.7166 8.8662 8.8662 8.8712 8.8712 9.6799 9.6799 9.6847 9.6847 11.9674 11.9674 11.9832 11.9832 k = 0.1404 0.2431 0.2573 ( 7200 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2029 -0.2029 -0.2005 -0.2005 5.4784 5.4784 5.4837 5.4837 6.1072 6.1072 6.1159 6.1159 6.7517 6.7517 6.7669 6.7669 8.9238 8.9238 8.9291 8.9291 9.6247 9.6247 9.6294 9.6294 11.9093 11.9093 11.9246 11.9246 k = 0.1345 0.2330 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2517 -0.2517 -0.2496 -0.2496 5.5279 5.5279 5.5334 5.5334 6.1387 6.1387 6.1490 6.1490 6.8068 6.8068 6.8225 6.8225 8.9811 8.9811 8.9866 8.9866 9.5729 9.5729 9.5774 9.5774 11.8504 11.8504 11.8653 11.8653 k = 0.1287 0.2228 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.2990 -0.2990 -0.2972 -0.2972 5.5641 5.5641 5.5697 5.5697 6.1816 6.1816 6.1928 6.1928 6.8657 6.8657 6.8817 6.8817 9.0375 9.0375 9.0434 9.0434 9.5248 9.5248 9.5291 9.5291 11.7908 11.7908 11.8053 11.8053 k = 0.1228 0.2127 0.2573 ( 7186 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3446 -0.3446 -0.3431 -0.3431 5.5867 5.5867 5.5920 5.5920 6.2372 6.2372 6.2487 6.2487 6.9274 6.9274 6.9435 6.9435 9.0927 9.0927 9.0990 9.0990 9.4808 9.4808 9.4847 9.4847 11.7307 11.7307 11.7447 11.7447 k = 0.1170 0.2026 0.2573 ( 7182 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.3886 -0.3886 -0.3873 -0.3873 5.5971 5.5971 5.6019 5.6019 6.3044 6.3044 6.3160 6.3160 6.9907 6.9907 7.0067 7.0067 9.1461 9.1461 9.1530 9.1530 9.4413 9.4413 9.4447 9.4447 11.6699 11.6699 11.6834 11.6834 k = 0.1111 0.1925 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4309 -0.4309 -0.4297 -0.4297 5.5978 5.5978 5.6019 5.6019 6.3814 6.3814 6.3927 6.3927 7.0547 7.0547 7.0707 7.0707 9.1967 9.1967 9.2046 9.2046 9.4071 9.4071 9.4096 9.4096 11.6085 11.6085 11.6214 11.6214 k = 0.1053 0.1823 0.2573 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.4713 -0.4713 -0.4703 -0.4703 5.5913 5.5913 5.5947 5.5947 6.4655 6.4655 6.4765 6.4765 7.1188 7.1188 7.1346 7.1346 9.2430 9.2430 9.2526 9.2526 9.3797 9.3797 9.3805 9.3805 11.5464 11.5464 11.5587 11.5587 k = 0.0994 0.1722 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5099 -0.5099 -0.5090 -0.5090 5.5798 5.5798 5.5825 5.5825 6.5549 6.5549 6.5655 6.5655 7.1822 7.1822 7.1977 7.1977 9.2797 9.2797 9.2923 9.2923 9.3619 9.3619 9.3644 9.3644 11.4834 11.4834 11.4951 11.4951 k = 0.0936 0.1621 0.2573 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5465 -0.5465 -0.5458 -0.5458 5.5649 5.5649 5.5671 5.5671 6.6476 6.6476 6.6579 6.6579 7.2443 7.2443 7.2595 7.2595 9.2942 9.2942 9.3071 9.3071 9.3705 9.3705 9.3735 9.3735 11.4196 11.4196 11.4306 11.4306 k = 0.0877 0.1519 0.2573 ( 7176 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.5812 -0.5812 -0.5806 -0.5806 5.5479 5.5479 5.5497 5.5497 6.7425 6.7425 6.7523 6.7523 7.3045 7.3045 7.3192 7.3192 9.2906 9.2906 9.3003 9.3003 9.4026 9.4026 9.4027 9.4027 11.3548 11.3548 11.3650 11.3650 k = 0.0819 0.1418 0.2573 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6138 -0.6138 -0.6133 -0.6133 5.5298 5.5298 5.5312 5.5312 6.8383 6.8383 6.8479 6.8479 7.3623 7.3623 7.3764 7.3764 9.2850 9.2850 9.2929 9.2929 9.4359 9.4359 9.4373 9.4373 11.2890 11.2890 11.2984 11.2984 k = 0.0760 0.1317 0.2573 ( 7180 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6444 -0.6444 -0.6440 -0.6440 5.5112 5.5112 5.5123 5.5123 6.9342 6.9342 6.9434 6.9434 7.4170 7.4170 7.4305 7.4305 9.2831 9.2831 9.2897 9.2897 9.4672 9.4672 9.4694 9.4694 11.2223 11.2223 11.2308 11.2308 k = 0.0702 0.1215 0.2573 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6729 -0.6729 -0.6726 -0.6726 5.4928 5.4928 5.4936 5.4936 7.0293 7.0293 7.0381 7.0381 7.4682 7.4682 7.4810 7.4810 9.2864 9.2864 9.2920 9.2920 9.4950 9.4950 9.4975 9.4975 11.1546 11.1546 11.1621 11.1621 k = 0.0643 0.1114 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.6992 -0.6992 -0.6989 -0.6989 5.4748 5.4748 5.4754 5.4754 7.1227 7.1227 7.1312 7.1312 7.5156 7.5156 7.5276 7.5276 9.2953 9.2953 9.3000 9.3000 9.5186 9.5186 9.5211 9.5211 11.0862 11.0862 11.0928 11.0928 k = 0.0585 0.1013 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7234 -0.7234 -0.7232 -0.7232 5.4576 5.4576 5.4581 5.4581 7.2136 7.2136 7.2216 7.2216 7.5588 7.5588 7.5698 7.5698 9.3098 9.3098 9.3138 9.3138 9.5378 9.5378 9.5401 9.5401 11.0174 11.0174 11.0230 11.0230 k = 0.0526 0.0912 0.2573 ( 7204 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7453 -0.7453 -0.7451 -0.7451 5.4414 5.4414 5.4418 5.4418 7.3010 7.3010 7.3086 7.3086 7.5975 7.5975 7.6076 7.6076 9.3297 9.3297 9.3329 9.3329 9.5524 9.5524 9.5546 9.5546 10.9486 10.9486 10.9532 10.9532 k = 0.0468 0.0810 0.2573 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7651 -0.7651 -0.7649 -0.7649 5.4265 5.4265 5.4269 5.4269 7.3840 7.3840 7.3911 7.3911 7.6317 7.6317 7.6407 7.6407 9.3544 9.3544 9.3568 9.3568 9.5627 9.5627 9.5646 9.5646 10.8804 10.8804 10.8841 10.8841 k = 0.0409 0.0709 0.2573 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7825 -0.7825 -0.7824 -0.7824 5.4131 5.4131 5.4134 5.4134 7.4616 7.4616 7.4681 7.4681 7.6614 7.6614 7.6693 7.6693 9.3828 9.3828 9.3846 9.3846 9.5690 9.5690 9.5706 9.5706 10.8138 10.8138 10.8166 10.8166 k = 0.0351 0.0608 0.2573 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.7977 -0.7977 -0.7975 -0.7975 5.4012 5.4012 5.4014 5.4014 7.5324 7.5324 7.5383 7.5383 7.6866 7.6866 7.6935 7.6935 9.4138 9.4138 9.4150 9.4150 9.5721 9.5721 9.5734 9.5734 10.7499 10.7499 10.7519 10.7519 k = 0.0292 0.0506 0.2573 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8106 -0.8106 -0.8104 -0.8104 5.3909 5.3909 5.3912 5.3912 7.5954 7.5954 7.6005 7.6005 7.7077 7.7077 7.7134 7.7134 9.4457 9.4457 9.4464 9.4464 9.5728 9.5728 9.5738 9.5738 10.6901 10.6901 10.6914 10.6914 k = 0.0234 0.0405 0.2573 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8212 -0.8212 -0.8210 -0.8210 5.3824 5.3824 5.3827 5.3827 7.6492 7.6492 7.6534 7.6534 7.7248 7.7248 7.7293 7.7293 9.4761 9.4761 9.4765 9.4765 9.5722 9.5722 9.5730 9.5730 10.6362 10.6362 10.6370 10.6370 k = 0.0175 0.0304 0.2573 ( 7238 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8294 -0.8294 -0.8292 -0.8292 5.3758 5.3758 5.3760 5.3760 7.6924 7.6924 7.6954 7.6954 7.7385 7.7385 7.7417 7.7417 9.5022 9.5022 9.5027 9.5027 9.5718 9.5718 9.5724 9.5724 10.5904 10.5904 10.5909 10.5909 k = 0.0117 0.0203 0.2573 ( 7238 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8353 -0.8353 -0.8351 -0.8351 5.3710 5.3710 5.3712 5.3712 7.7233 7.7233 7.7250 7.7250 7.7495 7.7495 7.7513 7.7513 9.5211 9.5211 9.5215 9.5215 9.5732 9.5732 9.5737 9.5737 10.5551 10.5551 10.5555 10.5555 k = 0.0058 0.0101 0.2573 ( 7234 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8388 -0.8388 -0.8386 -0.8386 5.3681 5.3681 5.3683 5.3683 7.7401 7.7401 7.7406 7.7406 7.7585 7.7585 7.7590 7.7590 9.5310 9.5310 9.5315 9.5315 9.5763 9.5763 9.5768 9.5768 10.5327 10.5327 10.5330 10.5330 k = 0.0000 0.0000 0.2573 ( 7240 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 -0.8400 -0.8400 -0.8398 -0.8398 5.3671 5.3671 5.3673 5.3673 7.7447 7.7447 7.7451 7.7451 7.7623 7.7623 7.7628 7.7628 9.5337 9.5337 9.5343 9.5343 9.5780 9.5780 9.5785 9.5785 10.5250 10.5250 10.5253 10.5253 k = 0.5000 0.2887 0.2573 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9292 0.9292 0.9293 0.9293 3.4279 3.4279 3.4281 3.4281 6.4637 6.4637 6.4639 6.4639 6.9356 6.9356 6.9357 6.9357 7.6067 7.6067 7.6070 7.6070 11.1164 11.1164 11.1164 11.1164 12.2022 12.2022 12.2028 12.2028 k = 0.5000 0.2887 0.2456 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.9088 0.9088 0.9497 0.9497 3.3799 3.3799 3.4778 3.4778 6.4162 6.4162 6.5127 6.5127 6.9203 6.9203 6.9476 6.9476 7.5961 7.5961 7.6159 7.6159 11.0959 11.0959 11.1482 11.1482 12.1473 12.1473 12.2366 12.2366 k = 0.5000 0.2887 0.2339 ( 7196 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8885 0.8885 0.9699 0.9699 3.3337 3.3337 3.5293 3.5293 6.3699 6.3699 6.5625 6.5625 6.9010 6.9010 6.9565 6.9565 7.5833 7.5833 7.6234 7.6234 11.0871 11.0871 11.1910 11.1910 12.0738 12.0738 12.2536 12.2536 k = 0.5000 0.2887 0.2222 ( 7192 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8683 0.8683 0.9900 0.9900 3.2894 3.2894 3.5823 3.5823 6.3251 6.3251 6.6132 6.6132 6.8773 6.8773 6.9630 6.9630 7.5686 7.5686 7.6297 7.6297 11.0901 11.0901 11.2442 11.2442 11.9887 11.9887 12.2594 12.2594 k = 0.5000 0.2887 0.2105 ( 7198 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8484 0.8484 1.0097 1.0097 3.2471 3.2471 3.6368 3.6368 6.2820 6.2820 6.6644 6.6644 6.8492 6.8492 6.9674 6.9674 7.5520 7.5520 7.6352 7.6352 11.1048 11.1048 11.3071 11.3071 11.8976 11.8976 12.2587 12.2587 k = 0.5000 0.2887 0.1988 ( 7202 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8289 0.8289 1.0289 1.0289 3.2068 3.2068 3.6926 3.6926 6.2406 6.2406 6.7157 6.7157 6.8165 6.8165 6.9701 6.9701 7.5336 7.5336 7.6403 7.6403 11.1310 11.1310 11.3790 11.3790 11.8043 11.8043 12.2542 12.2542 k = 0.5000 0.2887 0.1871 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.8099 0.8099 1.0476 1.0476 3.1686 3.1686 3.7495 3.7495 6.2010 6.2010 6.7624 6.7624 6.7837 6.7837 6.9716 6.9716 7.5138 7.5138 7.6453 7.6453 11.1684 11.1684 11.4589 11.4589 11.7108 11.7108 12.2477 12.2477 k = 0.5000 0.2887 0.1755 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7915 0.7915 1.0657 1.0657 3.1325 3.1325 3.8073 3.8073 6.1635 6.1635 6.7341 6.7341 6.8213 6.8213 6.9722 6.9722 7.4929 7.4929 7.6504 7.6504 11.2165 11.2165 11.5459 11.5459 11.6187 11.6187 12.2400 12.2400 k = 0.5000 0.2887 0.1638 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7738 0.7738 1.0831 1.0831 3.0986 3.0986 3.8659 3.8659 6.1279 6.1279 6.6879 6.6879 6.8718 6.8718 6.9723 6.9723 7.4711 7.4711 7.6560 7.6560 11.2748 11.2748 11.5287 11.5287 11.6390 11.6390 12.2318 12.2318 k = 0.5000 0.2887 0.1521 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7569 0.7569 1.0997 1.0997 3.0669 3.0669 3.9248 3.9248 6.0946 6.0946 6.6376 6.6376 6.9215 6.9215 6.9724 6.9724 7.4488 7.4488 7.6619 7.6619 11.3425 11.3425 11.4416 11.4416 11.7372 11.7372 12.2235 12.2235 k = 0.5000 0.2887 0.1404 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7408 0.7408 1.1153 1.1153 3.0374 3.0374 3.9839 3.9839 6.0634 6.0634 6.5842 6.5842 6.9627 6.9627 6.9797 6.9797 7.4265 7.4265 7.6683 7.6683 11.3578 11.3578 11.4195 11.4195 11.8394 11.8394 12.2154 12.2154 k = 0.5000 0.2887 0.1287 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7257 0.7257 1.1300 1.1300 3.0102 3.0102 4.0427 4.0427 6.0345 6.0345 6.5286 6.5286 6.9678 6.9678 7.0216 7.0216 7.4044 7.4044 7.6750 7.6750 11.2783 11.2783 11.5042 11.5042 11.9441 11.9441 12.2078 12.2078 k = 0.5000 0.2887 0.1170 ( 7210 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.7117 0.7117 1.1437 1.1437 2.9853 2.9853 4.1008 4.1008 6.0079 6.0079 6.4716 6.4716 6.9675 6.9675 7.0669 7.0669 7.3829 7.3829 7.6820 7.6820 11.2032 11.2032 11.5964 11.5964 12.0494 12.0494 12.2015 12.2016 k = 0.5000 0.2887 0.1053 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6987 0.6987 1.1563 1.1563 2.9626 2.9626 4.1576 4.1576 5.9837 5.9837 6.4143 6.4143 6.9669 6.9669 7.1103 7.1103 7.3622 7.3622 7.6890 7.6890 11.1332 11.1332 11.6953 11.6953 12.1474 12.1474 12.2031 12.2031 k = 0.5000 0.2887 0.0936 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6869 0.6869 1.1677 1.1677 2.9423 2.9423 4.2125 4.2125 5.9619 5.9619 6.3577 6.3577 6.9664 6.9664 7.1510 7.1510 7.3428 7.3428 7.6959 7.6959 11.0687 11.0687 11.7999 11.7999 12.1777 12.1777 12.2714 12.2714 k = 0.5000 0.2887 0.0819 ( 7222 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6764 0.6764 1.1779 1.1779 2.9244 2.9244 4.2647 4.2647 5.9426 5.9426 6.3030 6.3030 6.9660 6.9660 7.1885 7.1885 7.3249 7.3249 7.7024 7.7024 11.0103 11.0103 11.9092 11.9092 12.1750 12.1750 12.3695 12.3695 k = 0.5000 0.2887 0.0702 ( 7214 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6672 0.6672 1.1868 1.1868 2.9088 2.9088 4.3133 4.3133 5.9258 5.9258 6.2515 6.2515 6.9658 6.9658 7.2222 7.2222 7.3087 7.3087 7.7085 7.7085 10.9584 10.9584 12.0222 12.0222 12.1707 12.1707 12.4638 12.4638 k = 0.5000 0.2887 0.0585 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6593 0.6593 1.1944 1.1944 2.8956 2.8956 4.3573 4.3573 5.9115 5.9115 6.2046 6.2046 6.9658 6.9658 7.2516 7.2516 7.2946 7.2946 7.7140 7.7140 10.9135 10.9135 12.1370 12.1370 12.1666 12.1666 12.5494 12.5494 k = 0.5000 0.2887 0.0468 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6527 0.6527 1.2007 1.2007 2.8848 2.8848 4.3955 4.3955 5.8998 5.8998 6.1635 6.1635 6.9659 6.9659 7.2764 7.2764 7.2827 7.2827 7.7187 7.7187 10.8761 10.8761 12.1629 12.1629 12.2520 12.2520 12.5947 12.5947 k = 0.5000 0.2887 0.0351 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6476 0.6476 1.2056 1.2056 2.8763 2.8763 4.4269 4.4269 5.8907 5.8907 6.1297 6.1297 6.9660 6.9660 7.2730 7.2730 7.2962 7.2962 7.7224 7.7224 10.8465 10.8465 12.1601 12.1601 12.3631 12.3631 12.5984 12.5984 k = 0.5000 0.2887 0.0234 ( 7220 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6439 0.6439 1.2091 1.2091 2.8703 2.8703 4.4503 4.4503 5.8841 5.8841 6.1045 6.1045 6.9662 6.9662 7.2661 7.2661 7.3106 7.3106 7.7252 7.7252 10.8251 10.8251 12.1580 12.1580 12.4638 12.4638 12.6010 12.6010 k = 0.5000 0.2887 0.0117 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6417 0.6417 1.2113 1.2113 2.8667 2.8667 4.4648 4.4648 5.8802 5.8802 6.0889 6.0889 6.9663 6.9663 7.2619 7.2619 7.3193 7.3193 7.7269 7.7269 10.8122 10.8122 12.1568 12.1568 12.5409 12.5409 12.6026 12.6026 k = 0.5000 0.2887-0.0000 ( 7212 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 0.6410 0.6410 1.2120 1.2120 2.8655 2.8655 4.4697 4.4697 5.8789 5.8789 6.0836 6.0836 6.9663 6.9663 7.2605 7.2605 7.3222 7.3222 7.7274 7.7274 10.8079 10.8079 12.1563 12.1563 12.5717 12.5717 12.6031 12.6031 k = 0.3333 0.5774-0.0000 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2319 1.2319 1.2587 1.2587 3.8130 3.8130 3.9400 3.9400 3.9683 3.9683 5.6573 5.6573 6.7605 6.7605 6.8169 6.8169 8.6326 8.6326 8.6630 8.6630 10.8747 10.8747 10.9531 10.9531 10.9795 10.9795 12.2135 12.2135 k = 0.3333 0.5774 0.0117 ( 7221 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2319 1.2319 1.2587 1.2587 3.8149 3.8149 3.9400 3.9400 3.9684 3.9684 5.6542 5.6542 6.7613 6.7613 6.8176 6.8176 8.6283 8.6283 8.6587 8.6587 10.8808 10.8808 10.9587 10.9587 10.9812 10.9812 12.2147 12.2147 k = 0.3333 0.5774 0.0234 ( 7221 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2320 1.2320 1.2588 1.2588 3.8204 3.8204 3.9402 3.9402 3.9686 3.9686 5.6449 5.6449 6.7638 6.7638 6.8199 6.8199 8.6159 8.6159 8.6458 8.6458 10.8989 10.8989 10.9742 10.9742 10.9875 10.9875 12.2180 12.2180 k = 0.3333 0.5774 0.0351 ( 7227 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2321 1.2321 1.2589 1.2589 3.8297 3.8297 3.9406 3.9406 3.9690 3.9690 5.6295 5.6295 6.7679 6.7679 6.8236 6.8236 8.5956 8.5956 8.6251 8.6251 10.9284 10.9284 10.9892 10.9892 11.0084 11.0084 12.2228 12.2228 k = 0.3333 0.5774 0.0468 ( 7239 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2322 1.2322 1.2591 1.2591 3.8426 3.8426 3.9411 3.9411 3.9695 3.9695 5.6081 5.6081 6.7736 6.7736 6.8289 6.8289 8.5682 8.5682 8.5971 8.5971 10.9686 10.9686 11.0006 11.0006 11.0461 11.0461 12.2282 12.2282 k = 0.3333 0.5774 0.0585 ( 7239 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2324 1.2324 1.2593 1.2593 3.8591 3.8591 3.9417 3.9417 3.9701 3.9701 5.5810 5.5810 6.7810 6.7810 6.8355 6.8355 8.5345 8.5345 8.5628 8.5628 11.0141 11.0141 11.0185 11.0185 11.0942 11.0942 12.2328 12.2328 k = 0.3333 0.5774 0.0702 ( 7242 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2326 1.2326 1.2596 1.2596 3.8791 3.8791 3.9426 3.9426 3.9708 3.9708 5.5485 5.5485 6.7898 6.7898 6.8436 6.8436 8.4957 8.4957 8.5234 8.5234 11.0302 11.0302 11.0771 11.0771 11.1510 11.1510 12.2350 12.2350 k = 0.3333 0.5774 0.0819 ( 7242 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2328 1.2328 1.2599 1.2599 3.9021 3.9021 3.9440 3.9440 3.9716 3.9716 5.5110 5.5110 6.8003 6.8003 6.8531 6.8531 8.4526 8.4526 8.4798 8.4798 11.0491 11.0491 11.1433 11.1433 11.2155 11.2155 12.2333 12.2333 k = 0.3333 0.5774 0.0936 ( 7248 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2331 1.2331 1.2603 1.2603 3.9264 3.9264 3.9478 3.9478 3.9725 3.9725 5.4687 5.4687 6.8121 6.8121 6.8638 6.8638 8.4063 8.4063 8.4332 8.4332 11.0708 11.0708 11.2161 11.2161 11.2865 11.2865 12.2263 12.2263 k = 0.3333 0.5774 0.1053 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2334 1.2334 1.2606 1.2606 3.9397 3.9397 3.9661 3.9661 3.9735 3.9735 5.4222 5.4222 6.8253 6.8253 6.8757 6.8757 8.3578 8.3578 8.3845 8.3845 11.0952 11.0952 11.2945 11.2945 11.3631 11.3631 12.2129 12.2129 k = 0.3333 0.5774 0.1170 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2336 1.2336 1.2610 1.2610 3.9426 3.9426 3.9745 3.9745 3.9980 3.9980 5.3718 5.3718 6.8397 6.8397 6.8888 6.8888 8.3079 8.3079 8.3347 8.3347 11.1224 11.1224 11.3776 11.3776 11.4445 11.4445 12.1928 12.1928 k = 0.3333 0.5774 0.1287 ( 7218 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2339 1.2339 1.2614 1.2614 3.9441 3.9441 3.9755 3.9755 4.0348 4.0348 5.3180 5.3180 6.8552 6.8552 6.9027 6.9027 8.2576 8.2576 8.2846 8.2846 11.1522 11.1522 11.4645 11.4645 11.5297 11.5297 12.1658 12.1658 k = 0.3333 0.5774 0.1404 ( 7224 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2342 1.2342 1.2618 1.2618 3.9452 3.9452 3.9765 3.9765 4.0750 4.0750 5.2612 5.2612 6.8716 6.8716 6.9174 6.9174 8.2077 8.2077 8.2351 8.2351 11.1847 11.1847 11.5545 11.5545 11.6181 11.6181 12.1326 12.1326 k = 0.3333 0.5774 0.1521 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2345 1.2345 1.2622 1.2622 3.9461 3.9461 3.9775 3.9775 4.1184 4.1184 5.2018 5.2018 6.8885 6.8885 6.9327 6.9327 8.1590 8.1590 8.1869 8.1869 11.2197 11.2197 11.6468 11.6468 11.7088 11.7088 12.0939 12.0939 k = 0.3333 0.5774 0.1638 ( 7230 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2348 1.2348 1.2625 1.2625 3.9470 3.9470 3.9785 3.9785 4.1647 4.1647 5.1403 5.1403 6.9058 6.9058 6.9482 6.9482 8.1121 8.1121 8.1409 8.1409 11.2572 11.2572 11.7408 11.7408 11.8012 11.8012 12.0506 12.0506 k = 0.3333 0.5774 0.1755 ( 7227 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2350 1.2350 1.2629 1.2629 3.9478 3.9478 3.9794 3.9794 4.2138 4.2138 5.0772 5.0772 6.9230 6.9230 6.9636 6.9636 8.0680 8.0680 8.0977 8.0977 11.2970 11.2970 11.8358 11.8358 11.8944 11.8944 12.0039 12.0039 k = 0.3333 0.5774 0.1871 ( 7236 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2353 1.2353 1.2632 1.2632 3.9485 3.9485 3.9802 3.9802 4.2655 4.2655 5.0128 5.0128 6.9397 6.9397 6.9785 6.9785 8.0274 8.0274 8.0581 8.0581 11.3392 11.3392 11.9311 11.9311 11.9514 11.9514 11.9907 11.9907 k = 0.3333 0.5774 0.1988 ( 7215 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2355 1.2355 1.2635 1.2635 3.9491 3.9491 3.9809 3.9809 4.3197 4.3197 4.9475 4.9475 6.9553 6.9553 6.9924 6.9924 7.9911 7.9911 8.0228 8.0228 11.3835 11.3835 11.9009 11.9009 12.0256 12.0256 12.0822 12.0822 k = 0.3333 0.5774 0.2105 ( 7209 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2357 1.2357 1.2637 1.2637 3.9496 3.9496 3.9815 3.9815 4.3761 4.3761 4.8817 4.8817 6.9693 6.9693 7.0049 7.0049 7.9599 7.9599 7.9926 7.9926 11.4298 11.4298 11.8477 11.8477 12.1182 12.1182 12.1730 12.1730 k = 0.3333 0.5774 0.2222 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2358 1.2358 1.2639 1.2639 3.9500 3.9500 3.9820 3.9820 4.4346 4.4346 4.8157 4.8157 6.9810 6.9810 7.0153 7.0153 7.9345 7.9345 7.9681 7.9681 11.4780 11.4780 11.7937 11.7937 12.2066 12.2066 12.2596 12.2596 k = 0.3333 0.5774 0.2339 ( 7206 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2359 1.2359 1.2640 1.2640 3.9503 3.9503 3.9824 3.9824 4.4949 4.4949 4.7500 4.7500 6.9899 6.9899 7.0232 7.0232 7.9158 7.9158 7.9501 7.9501 11.5279 11.5279 11.7394 11.7394 12.2865 12.2865 12.3375 12.3375 k = 0.3333 0.5774 0.2456 ( 7188 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2360 1.2360 1.2641 1.2641 3.9505 3.9505 3.9826 3.9826 4.5567 4.5567 4.6849 4.6849 6.9955 6.9955 7.0281 7.0281 7.9043 7.9043 7.9391 7.9391 11.5792 11.5792 11.6853 11.6853 12.3483 12.3483 12.3972 12.3972 k = 0.3333 0.5774 0.2573 ( 7194 PWs) bands (ev): -90.0311 -90.0311 -90.0311 -90.0311 1.2360 1.2360 1.2641 1.2641 3.9505 3.9505 3.9827 3.9827 4.6149 4.6149 4.6257 4.6257 6.9974 6.9974 7.0298 7.0298 7.9004 7.9004 7.9354 7.9354 11.6312 11.6312 11.6324 11.6324 12.3733 12.3733 12.4210 12.4210 Writing output data file ZrBeSi.save init_run : 0.52s CPU 0.73s WALL ( 1 calls) electrons : 195.61s CPU 198.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 195.60s CPU 198.01s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 345 calls) cegterg : 173.34s CPU 175.12s WALL ( 616 calls) Called by sum_band: Called by *egterg: h_psi : 127.24s CPU 128.54s WALL ( 9957 calls) s_psi : 8.58s CPU 8.79s WALL ( 9957 calls) g_psi : 0.39s CPU 0.38s WALL ( 8996 calls) cdiaghg : 36.44s CPU 37.01s WALL ( 9341 calls) cegterg:over : 6.28s CPU 6.26s WALL ( 8996 calls) cegterg:upda : 7.02s CPU 6.97s WALL ( 8996 calls) cegterg:last : 3.70s CPU 3.68s WALL ( 1882 calls) cdiaghg:chol : 2.16s CPU 2.26s WALL ( 9341 calls) cdiaghg:inve : 0.98s CPU 0.99s WALL ( 9341 calls) cdiaghg:para : 2.09s CPU 2.16s WALL ( 18682 calls) Called by h_psi: h_psi:vloc : 114.43s CPU 115.84s WALL ( 9957 calls) h_psi:vnl : 12.46s CPU 12.36s WALL ( 9957 calls) add_vuspsi : 5.99s CPU 5.90s WALL ( 9957 calls) General routines calbec : 6.42s CPU 6.44s WALL ( 9957 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 102.25s CPU 103.47s WALL ( 748980 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.23s WALL ( 690 calls) Parallel routines fft_scatter : 27.80s CPU 28.19s WALL ( 749003 calls) PWSCF : 3m30.95s CPU 3m42.28s WALL This run was terminated on: 14:27:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=